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 1gru_1_N DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.014 0.000 0.831 3 A N 3.397 126.213 122.820 -0.007 0.000 2.454 3 A HA 0.603 4.923 4.320 0.000 0.000 0.260 3 A C 0.412 177.991 177.584 -0.008 0.000 1.106 3 A CA 0.037 52.074 52.037 -0.001 0.000 0.780 3 A CB 0.187 19.189 19.000 0.004 0.000 1.044 3 A HN 0.592 nan 8.150 nan 0.000 0.498 4 K N 1.398 121.797 120.400 -0.000 0.000 2.132 4 K HA 0.437 4.757 4.320 0.000 0.000 0.241 4 K C -0.835 175.773 176.600 0.014 0.000 1.000 4 K CA -0.662 55.619 56.287 -0.009 0.000 0.911 4 K CB 0.916 33.415 32.500 -0.002 0.000 1.093 4 K HN 0.721 nan 8.250 nan 0.000 0.460 5 D N 0.458 120.860 120.400 0.004 0.000 2.375 5 D HA 0.381 5.021 4.640 0.000 0.000 0.247 5 D C -1.376 175.066 176.300 0.237 0.000 1.061 5 D CA -0.640 53.413 54.000 0.088 0.000 0.834 5 D CB 1.334 42.139 40.800 0.008 0.000 1.247 5 D HN 0.056 nan 8.370 nan 0.000 0.489 6 V N 4.158 124.236 119.914 0.273 0.000 2.531 6 V HA 0.463 4.583 4.120 0.000 0.000 0.301 6 V C 0.031 176.221 176.094 0.160 0.000 1.034 6 V CA -0.799 61.631 62.300 0.216 0.000 0.865 6 V CB 1.869 33.762 31.823 0.117 0.000 0.995 6 V HN 0.412 nan 8.190 nan 0.000 0.424 7 K N 3.474 123.814 120.400 -0.099 0.000 2.328 7 K HA 0.785 5.105 4.320 0.000 0.000 0.246 7 K C -1.610 174.833 176.600 -0.262 0.000 0.955 7 K CA -0.559 55.623 56.287 -0.174 0.000 0.817 7 K CB 2.474 34.623 32.500 -0.585 0.000 1.208 7 K HN 0.421 nan 8.250 nan 0.000 0.432 8 F N -0.382 119.497 119.950 -0.119 0.000 2.611 8 F HA 0.404 4.931 4.527 0.000 0.000 0.324 8 F C 1.327 177.078 175.800 -0.081 0.000 1.061 8 F CA -0.051 57.902 58.000 -0.079 0.000 0.954 8 F CB 1.260 40.234 39.000 -0.045 0.000 1.301 8 F HN 0.814 nan 8.300 nan 0.000 0.482 9 G N 1.735 110.624 108.800 0.149 0.000 2.698 9 G HA2 -0.470 3.490 3.960 0.000 0.000 0.346 9 G HA3 -0.470 3.490 3.960 0.000 0.000 0.346 9 G C 1.147 176.053 174.900 0.010 0.000 1.287 9 G CA 1.408 46.547 45.100 0.064 0.000 0.990 9 G HN 0.672 nan 8.290 nan 0.000 0.545 10 N N 1.335 120.038 118.700 0.006 0.000 2.028 10 N HA -0.008 4.732 4.740 0.000 0.000 0.194 10 N C 1.847 177.332 175.510 -0.042 0.000 1.050 10 N CA 1.804 54.844 53.050 -0.016 0.000 0.848 10 N CB -0.690 37.790 38.487 -0.010 0.000 1.038 10 N HN 0.614 nan 8.380 nan 0.000 0.423 11 D N 0.257 120.635 120.400 -0.037 0.000 2.242 11 D HA -0.264 4.376 4.640 0.000 0.000 0.190 11 D C 1.706 177.905 176.300 -0.168 0.000 1.012 11 D CA 2.010 55.964 54.000 -0.078 0.000 0.875 11 D CB -0.488 40.283 40.800 -0.049 0.000 0.922 11 D HN 0.384 nan 8.370 nan 0.000 0.448 12 A N 0.390 123.104 122.820 -0.177 0.000 1.832 12 A HA -0.157 4.163 4.320 0.000 0.000 0.214 12 A C 2.147 179.629 177.584 -0.169 0.000 1.200 12 A CA 1.622 53.498 52.037 -0.267 0.000 0.610 12 A CB -0.535 18.336 19.000 -0.214 0.000 0.842 12 A HN 0.101 nan 8.150 nan 0.000 0.444 13 R N -0.576 119.867 120.500 -0.094 0.000 2.103 13 R HA -0.141 4.199 4.340 0.000 0.000 0.242 13 R C 2.042 178.314 176.300 -0.047 0.000 1.142 13 R CA 1.589 57.656 56.100 -0.056 0.000 0.960 13 R CB -0.783 29.497 30.300 -0.032 0.000 0.858 13 R HN 0.405 nan 8.270 nan 0.000 0.439 14 V N 1.553 121.436 119.914 -0.051 0.000 2.287 14 V HA -0.277 3.843 4.120 0.000 0.000 0.248 14 V C 2.347 178.422 176.094 -0.032 0.000 1.053 14 V CA 1.679 63.958 62.300 -0.035 0.000 1.027 14 V CB -0.409 31.394 31.823 -0.032 0.000 0.646 14 V HN 0.226 nan 8.190 nan 0.000 0.447 15 K N -0.460 119.906 120.400 -0.056 0.000 2.032 15 K HA -0.138 4.182 4.320 0.000 0.000 0.209 15 K C 2.142 178.745 176.600 0.006 0.000 1.048 15 K CA 1.749 58.023 56.287 -0.023 0.000 0.927 15 K CB -0.630 31.834 32.500 -0.058 0.000 0.712 15 K HN 0.409 nan 8.250 nan 0.000 0.441 16 M N 0.192 119.784 119.600 -0.013 0.000 2.106 16 M HA -0.219 4.261 4.480 0.000 0.000 0.259 16 M C 2.195 178.499 176.300 0.007 0.000 1.068 16 M CA 1.202 56.506 55.300 0.007 0.000 1.100 16 M CB -0.334 32.262 32.600 -0.007 0.000 1.351 16 M HN 0.054 nan 8.290 nan 0.000 0.404 17 L N 0.484 121.705 121.223 -0.002 0.000 1.976 17 L HA -0.190 4.151 4.340 0.000 0.000 0.209 17 L C 2.378 179.252 176.870 0.006 0.000 1.071 17 L CA 1.938 56.779 54.840 0.001 0.000 0.746 17 L CB -0.612 41.445 42.059 -0.003 0.000 0.890 17 L HN 0.152 nan 8.230 nan 0.000 0.432 18 R N -0.477 120.028 120.500 0.007 0.000 2.094 18 R HA -0.147 4.193 4.340 0.000 0.000 0.239 18 R C 2.219 178.528 176.300 0.016 0.000 1.137 18 R CA 1.361 57.468 56.100 0.012 0.000 0.943 18 R CB -1.354 28.955 30.300 0.015 0.000 0.850 18 R HN 0.598 nan 8.270 nan 0.000 0.433 19 G N 0.957 109.771 108.800 0.023 0.000 2.586 19 G HA2 -0.347 3.613 3.960 0.000 0.000 0.218 19 G HA3 -0.347 3.613 3.960 0.000 0.000 0.218 19 G C 1.464 176.373 174.900 0.016 0.000 1.216 19 G CA 1.242 46.357 45.100 0.025 0.000 0.786 19 G HN 0.303 nan 8.290 nan 0.000 0.583 20 V N 1.244 121.166 119.914 0.013 0.000 2.252 20 V HA -0.296 3.824 4.120 0.000 0.000 0.249 20 V C 2.279 178.377 176.094 0.006 0.000 1.056 20 V CA 3.017 65.322 62.300 0.008 0.000 1.022 20 V CB -0.979 30.848 31.823 0.006 0.000 0.641 20 V HN 0.587 nan 8.190 nan 0.000 0.445 21 N N -0.386 118.318 118.700 0.007 0.000 2.049 21 N HA -0.237 4.503 4.740 0.000 0.000 0.198 21 N C 1.809 177.322 175.510 0.005 0.000 1.030 21 N CA 2.215 55.269 53.050 0.006 0.000 0.870 21 N CB -0.403 38.088 38.487 0.006 0.000 1.045 21 N HN 0.469 nan 8.380 nan 0.000 0.434 22 V N 2.111 122.029 119.914 0.006 0.000 2.231 22 V HA -0.274 3.846 4.120 0.000 0.000 0.250 22 V C 2.308 178.404 176.094 0.003 0.000 1.058 22 V CA 1.583 63.886 62.300 0.005 0.000 1.022 22 V CB -0.812 31.015 31.823 0.006 0.000 0.640 22 V HN 0.425 nan 8.190 nan 0.000 0.445 23 L N 0.214 121.439 121.223 0.003 0.000 1.978 23 L HA -0.279 4.061 4.340 0.000 0.000 0.218 23 L C 2.521 179.392 176.870 0.000 0.000 1.075 23 L CA 3.075 57.915 54.840 0.000 0.000 0.767 23 L CB -1.205 40.853 42.059 -0.001 0.000 0.890 23 L HN 0.400 nan 8.230 nan 0.000 0.434 24 A N -0.559 122.261 122.820 0.001 0.000 1.873 24 A HA -0.228 4.092 4.320 0.000 0.000 0.215 24 A C 1.884 179.469 177.584 0.002 0.000 1.186 24 A CA 1.712 53.751 52.037 0.002 0.000 0.616 24 A CB -0.715 18.287 19.000 0.004 0.000 0.823 24 A HN 0.562 nan 8.150 nan 0.000 0.442 25 D N 0.016 120.417 120.400 0.003 0.000 2.182 25 D HA -0.070 4.570 4.640 0.000 0.000 0.201 25 D C 2.088 178.389 176.300 0.002 0.000 0.986 25 D CA 1.472 55.474 54.000 0.003 0.000 0.847 25 D CB -0.237 40.566 40.800 0.003 0.000 0.942 25 D HN 0.452 nan 8.370 nan 0.000 0.467 26 A N 0.193 123.014 122.820 0.001 0.000 1.975 26 A HA -0.017 4.303 4.320 0.000 0.000 0.215 26 A C 2.240 179.824 177.584 -0.000 0.000 1.170 26 A CA 0.682 52.719 52.037 0.000 0.000 0.656 26 A CB -0.206 18.794 19.000 -0.000 0.000 0.821 26 A HN 0.185 nan 8.150 nan 0.000 0.449 27 V N 0.778 120.692 119.914 -0.001 0.000 3.174 27 V HA -0.084 4.036 4.120 0.000 0.000 0.254 27 V C 2.290 178.383 176.094 -0.001 0.000 1.120 27 V CA 1.827 64.126 62.300 -0.002 0.000 1.114 27 V CB -0.398 31.423 31.823 -0.003 0.000 0.756 27 V HN 0.771 nan 8.190 nan 0.000 0.467 28 K N 0.928 121.328 120.400 0.000 0.000 2.097 28 K HA -0.094 4.226 4.320 0.000 0.000 0.205 28 K C 1.785 178.386 176.600 0.001 0.000 1.050 28 K CA 1.899 58.187 56.287 0.001 0.000 0.938 28 K CB -1.119 31.383 32.500 0.003 0.000 0.718 28 K HN 0.482 nan 8.250 nan 0.000 0.442 29 V N 0.598 120.512 119.914 0.001 0.000 2.944 29 V HA -0.158 3.962 4.120 0.000 0.000 0.265 29 V C 1.756 177.850 176.094 -0.000 0.000 1.125 29 V CA 1.865 64.165 62.300 0.001 0.000 1.145 29 V CB -1.484 30.339 31.823 0.001 0.000 0.725 29 V HN 0.596 nan 8.190 nan 0.000 0.510 30 T N -3.871 110.682 114.554 -0.002 0.000 3.176 30 T HA 0.316 4.666 4.350 0.000 0.000 0.263 30 T C 1.110 175.807 174.700 -0.005 0.000 1.021 30 T CA 0.281 62.379 62.100 -0.003 0.000 0.905 30 T CB 0.636 69.502 68.868 -0.004 0.000 1.057 30 T HN 0.317 nan 8.240 nan 0.000 0.558 31 L N 2.684 123.905 121.223 -0.004 0.000 1.982 31 L HA 0.450 4.790 4.340 0.000 0.000 0.206 31 L C 1.664 178.528 176.870 -0.010 0.000 1.078 31 L CA 1.515 56.351 54.840 -0.005 0.000 0.749 31 L CB -1.340 40.717 42.059 -0.002 0.000 0.894 31 L HN 0.429 nan 8.230 nan 0.000 0.436 32 G N -0.559 108.235 108.800 -0.009 0.000 2.855 32 G HA2 0.027 3.987 3.960 0.000 0.000 0.248 32 G HA3 0.027 3.987 3.960 0.000 0.000 0.248 32 G C -1.716 173.169 174.900 -0.025 0.000 1.243 32 G CA 0.140 45.229 45.100 -0.018 0.000 0.881 32 G HN 0.432 nan 8.290 nan 0.000 0.598 33 P HA 0.027 nan 4.420 nan 0.000 0.229 33 P C 0.543 177.824 177.300 -0.032 0.000 1.160 33 P CA 1.018 64.094 63.100 -0.039 0.000 0.777 33 P CB 0.406 32.071 31.700 -0.058 0.000 0.814 34 K N 0.725 121.108 120.400 -0.030 0.000 3.109 34 K HA 0.332 4.652 4.320 0.000 0.000 0.214 34 K C 0.801 177.394 176.600 -0.012 0.000 1.196 34 K CA -0.426 55.848 56.287 -0.021 0.000 1.115 34 K CB 0.619 33.107 32.500 -0.020 0.000 1.103 34 K HN 0.020 nan 8.250 nan 0.000 0.467 35 G N 0.868 109.661 108.800 -0.012 0.000 2.539 35 G HA2 0.162 4.122 3.960 0.000 0.000 0.258 35 G HA3 0.162 4.122 3.960 0.000 0.000 0.258 35 G C 0.100 174.997 174.900 -0.005 0.000 1.202 35 G CA -0.546 44.550 45.100 -0.007 0.000 0.851 35 G HN 0.172 nan 8.290 nan 0.000 0.556 36 R N -0.431 120.068 120.500 -0.003 0.000 2.549 36 R HA 0.290 4.630 4.340 0.000 0.000 0.259 36 R C 0.450 176.749 176.300 -0.002 0.000 1.095 36 R CA -0.606 55.493 56.100 -0.002 0.000 1.148 36 R CB 0.420 30.720 30.300 -0.000 0.000 1.181 36 R HN 0.857 nan 8.270 nan 0.000 0.571 37 N N -1.125 117.574 118.700 -0.001 0.000 2.362 37 N HA 0.534 5.274 4.740 0.000 0.000 0.299 37 N C -0.932 174.577 175.510 -0.001 0.000 1.170 37 N CA -0.841 52.208 53.050 -0.001 0.000 0.825 37 N CB 1.761 40.247 38.487 -0.001 0.000 1.299 37 N HN 0.038 nan 8.380 nan 0.000 0.502 38 V N 0.708 120.621 119.914 -0.001 0.000 2.881 38 V HA 0.408 4.528 4.120 0.000 0.000 0.316 38 V C -0.188 175.906 176.094 0.000 0.000 1.070 38 V CA -0.816 61.484 62.300 -0.000 0.000 0.976 38 V CB 2.003 33.825 31.823 -0.001 0.000 1.038 38 V HN 0.483 nan 8.190 nan 0.000 0.446 39 V N 4.501 124.416 119.914 0.001 0.000 2.357 39 V HA 0.405 4.525 4.120 0.000 0.000 0.284 39 V C -0.631 175.463 176.094 0.001 0.000 1.018 39 V CA -0.523 61.778 62.300 0.001 0.000 0.841 39 V CB 1.504 33.327 31.823 0.001 0.000 0.991 39 V HN 0.495 nan 8.190 nan 0.000 0.437 40 L N 3.831 125.056 121.223 0.003 0.000 2.283 40 L HA 0.421 4.761 4.340 0.000 0.000 0.281 40 L C 0.118 176.992 176.870 0.007 0.000 1.033 40 L CA -0.183 54.660 54.840 0.004 0.000 0.848 40 L CB 0.714 42.776 42.059 0.006 0.000 1.226 40 L HN 0.660 nan 8.230 nan 0.000 0.429 41 D N 3.234 123.636 120.400 0.003 0.000 2.488 41 D HA 0.032 4.672 4.640 0.000 0.000 0.238 41 D C -0.003 176.303 176.300 0.011 0.000 1.138 41 D CA 0.743 54.745 54.000 0.003 0.000 0.873 41 D CB 0.959 41.755 40.800 -0.006 0.000 1.183 41 D HN 0.311 nan 8.370 nan 0.000 0.458 42 K N 1.800 122.212 120.400 0.020 0.000 2.164 42 K HA 0.259 4.579 4.320 0.000 0.000 0.258 42 K C 0.992 177.610 176.600 0.030 0.000 0.951 42 K CA -0.669 55.646 56.287 0.047 0.000 0.844 42 K CB 1.471 34.014 32.500 0.070 0.000 1.099 42 K HN 0.358 nan 8.250 nan 0.000 0.435 43 S N 1.920 117.643 115.700 0.039 0.000 2.351 43 S HA -0.090 4.380 4.470 0.000 0.000 0.220 43 S C 0.334 174.800 174.600 -0.223 0.000 1.035 43 S CA 1.284 59.401 58.200 -0.138 0.000 1.031 43 S CB -0.173 62.904 63.200 -0.205 0.000 0.928 43 S HN 0.397 nan 8.310 nan 0.000 0.433 44 F N 1.670 121.617 119.950 -0.006 0.000 2.405 44 F HA 0.606 5.133 4.527 0.000 0.000 0.355 44 F C 1.154 176.951 175.800 -0.005 0.000 1.121 44 F CA -0.051 57.946 58.000 -0.005 0.000 1.112 44 F CB 0.399 39.396 39.000 -0.005 0.000 1.126 44 F HN 0.445 nan 8.300 nan 0.000 0.481 45 G N 1.433 110.315 108.800 0.136 0.000 2.568 45 G HA2 0.130 4.090 3.960 0.000 0.000 0.222 45 G HA3 0.130 4.090 3.960 0.000 0.000 0.222 45 G C -0.432 174.497 174.900 0.049 0.000 1.321 45 G CA -0.670 44.481 45.100 0.084 0.000 0.893 45 G HN 1.087 nan 8.290 nan 0.000 0.569 46 A N 2.129 124.973 122.820 0.040 0.000 2.477 46 A HA 0.640 4.960 4.320 0.000 0.000 0.246 46 A C -0.568 177.031 177.584 0.025 0.000 1.078 46 A CA 0.288 52.340 52.037 0.026 0.000 0.770 46 A CB -0.244 18.768 19.000 0.021 0.000 1.011 46 A HN 0.911 nan 8.150 nan 0.000 0.494 47 P HA 0.188 nan 4.420 nan 0.000 0.272 47 P C -0.387 176.922 177.300 0.014 0.000 1.254 47 P CA 0.059 63.167 63.100 0.014 0.000 0.795 47 P CB 0.455 32.159 31.700 0.007 0.000 1.022 48 T N 1.007 115.568 114.554 0.012 0.000 2.807 48 T HA 0.537 4.887 4.350 0.000 0.000 0.279 48 T C 0.223 174.927 174.700 0.006 0.000 0.993 48 T CA -0.348 61.758 62.100 0.010 0.000 0.970 48 T CB 0.448 69.323 68.868 0.012 0.000 0.950 48 T HN 0.199 nan 8.240 nan 0.000 0.441 49 I N 2.319 122.892 120.570 0.005 0.000 2.460 49 I HA 0.687 4.857 4.170 0.000 0.000 0.298 49 I C 0.460 176.578 176.117 0.002 0.000 0.989 49 I CA -0.459 60.843 61.300 0.003 0.000 1.173 49 I CB 2.008 40.009 38.000 0.002 0.000 1.338 49 I HN 0.550 nan 8.210 nan 0.000 0.456 50 T N 3.648 118.203 114.554 0.001 0.000 2.775 50 T HA 0.337 4.687 4.350 0.000 0.000 0.320 50 T C -0.734 173.965 174.700 -0.001 0.000 1.597 50 T CA -0.654 61.446 62.100 -0.000 0.000 1.022 50 T CB 1.495 70.364 68.868 0.000 0.000 1.485 50 T HN 0.697 nan 8.240 nan 0.000 0.494 51 K N 1.038 121.436 120.400 -0.003 0.000 2.536 51 K HA 0.227 4.547 4.320 0.000 0.000 0.203 51 K C -0.886 175.711 176.600 -0.004 0.000 1.063 51 K CA -0.297 55.988 56.287 -0.004 0.000 1.063 51 K CB 0.578 33.075 32.500 -0.005 0.000 0.843 51 K HN 0.436 nan 8.250 nan 0.000 0.521 52 D N 0.380 120.777 120.400 -0.004 0.000 2.456 52 D HA 0.126 4.766 4.640 0.000 0.000 0.219 52 D C 1.283 177.580 176.300 -0.005 0.000 1.126 52 D CA -0.192 53.805 54.000 -0.005 0.000 0.890 52 D CB 1.024 41.821 40.800 -0.004 0.000 1.025 52 D HN 0.203 nan 8.370 nan 0.000 0.511 53 G N 2.458 111.255 108.800 -0.006 0.000 2.574 53 G HA2 -0.320 3.640 3.960 0.000 0.000 0.220 53 G HA3 -0.320 3.640 3.960 0.000 0.000 0.220 53 G C 1.618 176.513 174.900 -0.008 0.000 1.173 53 G CA 1.063 46.159 45.100 -0.006 0.000 0.772 53 G HN 0.484 nan 8.290 nan 0.000 0.585 54 V N 0.800 120.708 119.914 -0.010 0.000 2.278 54 V HA -0.260 3.860 4.120 0.000 0.000 0.251 54 V C 3.143 179.232 176.094 -0.008 0.000 1.062 54 V CA 2.498 64.791 62.300 -0.011 0.000 1.038 54 V CB -0.747 31.069 31.823 -0.013 0.000 0.646 54 V HN 0.417 nan 8.190 nan 0.000 0.447 55 S N -0.651 115.046 115.700 -0.006 0.000 2.338 55 S HA -0.164 4.306 4.470 0.000 0.000 0.218 55 S C 1.979 176.577 174.600 -0.004 0.000 1.032 55 S CA 1.502 59.700 58.200 -0.003 0.000 0.999 55 S CB -0.290 62.909 63.200 -0.001 0.000 0.905 55 S HN 0.342 nan 8.310 nan 0.000 0.439 56 V N 2.463 122.375 119.914 -0.003 0.000 2.218 56 V HA -0.352 3.768 4.120 0.000 0.000 0.251 56 V C 2.675 178.766 176.094 -0.005 0.000 1.057 56 V CA 2.122 64.420 62.300 -0.003 0.000 1.022 56 V CB -1.450 30.371 31.823 -0.003 0.000 0.645 56 V HN 0.574 nan 8.190 nan 0.000 0.451 57 A N -0.156 122.660 122.820 -0.007 0.000 1.894 57 A HA -0.410 3.910 4.320 0.000 0.000 0.220 57 A C 2.337 179.916 177.584 -0.010 0.000 1.237 57 A CA 3.074 55.106 52.037 -0.009 0.000 0.660 57 A CB -0.876 18.117 19.000 -0.012 0.000 0.835 57 A HN 0.576 nan 8.150 nan 0.000 0.461 58 R N -0.633 119.861 120.500 -0.009 0.000 2.159 58 R HA -0.272 4.068 4.340 0.000 0.000 0.252 58 R C 1.930 178.225 176.300 -0.008 0.000 1.144 58 R CA 2.302 58.397 56.100 -0.009 0.000 0.961 58 R CB -0.333 29.963 30.300 -0.006 0.000 0.877 58 R HN 0.514 nan 8.270 nan 0.000 0.444 59 E N -0.088 120.109 120.200 -0.005 0.000 2.418 59 E HA 0.019 4.369 4.350 0.000 0.000 0.197 59 E C -0.141 176.455 176.600 -0.006 0.000 1.026 59 E CA 0.221 56.618 56.400 -0.004 0.000 0.862 59 E CB 0.125 29.824 29.700 -0.001 0.000 0.799 59 E HN 0.248 nan 8.360 nan 0.000 0.518 60 I N 1.980 122.546 120.570 -0.007 0.000 2.517 60 I HA 0.122 4.292 4.170 0.000 0.000 0.285 60 I C 0.185 176.297 176.117 -0.008 0.000 1.106 60 I CA 0.432 61.729 61.300 -0.006 0.000 1.402 60 I CB 0.078 38.075 38.000 -0.005 0.000 1.399 60 I HN 0.061 nan 8.210 nan 0.000 0.535 61 E N 7.603 127.798 120.200 -0.007 0.000 2.349 61 E HA 0.364 4.714 4.350 0.000 0.000 0.290 61 E C -1.649 174.947 176.600 -0.007 0.000 0.901 61 E CA -0.536 55.859 56.400 -0.009 0.000 0.800 61 E CB 1.432 31.124 29.700 -0.013 0.000 1.303 61 E HN 0.461 nan 8.360 nan 0.000 0.397 62 L N 3.220 124.441 121.223 -0.003 0.000 2.439 62 L HA 0.339 4.679 4.340 0.000 0.000 0.259 62 L C 1.642 178.509 176.870 -0.005 0.000 1.129 62 L CA -0.290 54.550 54.840 0.001 0.000 0.803 62 L CB 0.866 42.932 42.059 0.011 0.000 1.161 62 L HN 0.732 nan 8.230 nan 0.000 0.462 63 E N 0.424 120.623 120.200 -0.002 0.000 2.076 63 E HA -0.147 4.203 4.350 0.000 0.000 0.190 63 E C 0.478 177.073 176.600 -0.009 0.000 0.979 63 E CA 0.263 56.658 56.400 -0.008 0.000 0.807 63 E CB 0.307 30.003 29.700 -0.005 0.000 0.761 63 E HN 0.650 nan 8.360 nan 0.000 0.454 64 D N 1.726 122.132 120.400 0.011 0.000 2.342 64 D HA -0.008 4.632 4.640 0.000 0.000 0.260 64 D C -0.566 175.748 176.300 0.023 0.000 1.278 64 D CA 0.097 54.115 54.000 0.030 0.000 0.910 64 D CB 0.480 41.320 40.800 0.067 0.000 1.079 64 D HN 0.065 nan 8.370 nan 0.000 0.496 65 K N 2.672 123.038 120.400 -0.056 0.000 2.285 65 K HA 0.010 4.330 4.320 0.000 0.000 0.255 65 K C 0.598 177.198 176.600 -0.000 0.000 1.000 65 K CA -0.286 55.920 56.287 -0.134 0.000 0.887 65 K CB 0.625 32.928 32.500 -0.328 0.000 0.997 65 K HN 0.380 nan 8.250 nan 0.000 0.510 66 F N -1.196 118.744 119.950 -0.016 0.000 2.523 66 F HA -0.366 4.161 4.527 0.000 0.000 0.749 66 F C 1.820 177.611 175.800 -0.014 0.000 0.485 66 F CA 1.859 59.849 58.000 -0.017 0.000 0.779 66 F CB -1.365 37.627 39.000 -0.013 0.000 1.624 66 F HN 0.729 nan 8.300 nan 0.000 0.277 67 E N 0.178 120.512 120.200 0.224 0.000 2.058 67 E HA -0.257 4.093 4.350 0.000 0.000 0.194 67 E C 1.601 178.244 176.600 0.073 0.000 0.997 67 E CA 1.567 58.031 56.400 0.108 0.000 0.801 67 E CB -0.401 29.348 29.700 0.080 0.000 0.746 67 E HN 0.528 nan 8.360 nan 0.000 0.450 68 N N 0.608 119.344 118.700 0.059 0.000 2.094 68 N HA -0.201 4.539 4.740 0.000 0.000 0.191 68 N C 1.799 177.326 175.510 0.027 0.000 1.023 68 N CA 1.636 54.702 53.050 0.026 0.000 0.857 68 N CB -0.031 38.457 38.487 0.002 0.000 1.013 68 N HN 0.089 nan 8.380 nan 0.000 0.426 69 M N -0.525 119.103 119.600 0.046 0.000 2.082 69 M HA -0.112 4.368 4.480 0.000 0.000 0.258 69 M C 2.354 178.674 176.300 0.034 0.000 1.071 69 M CA 1.920 57.245 55.300 0.042 0.000 1.103 69 M CB -1.199 31.450 32.600 0.082 0.000 1.307 69 M HN 0.344 nan 8.290 nan 0.000 0.409 70 G N 0.056 108.884 108.800 0.046 0.000 2.547 70 G HA2 -0.232 3.728 3.960 0.000 0.000 0.221 70 G HA3 -0.232 3.728 3.960 0.000 0.000 0.221 70 G C 1.601 176.510 174.900 0.014 0.000 1.140 70 G CA 1.550 46.666 45.100 0.027 0.000 0.760 70 G HN 0.588 nan 8.290 nan 0.000 0.583 71 A N -0.186 122.642 122.820 0.015 0.000 1.840 71 A HA -0.024 4.296 4.320 0.000 0.000 0.214 71 A C 2.406 179.989 177.584 -0.003 0.000 1.198 71 A CA 1.943 53.983 52.037 0.005 0.000 0.608 71 A CB -0.508 18.495 19.000 0.005 0.000 0.839 71 A HN 0.284 nan 8.150 nan 0.000 0.443 72 Q N -0.370 119.428 119.800 -0.003 0.000 2.152 72 Q HA -0.219 4.121 4.340 0.000 0.000 0.206 72 Q C 2.130 178.119 176.000 -0.017 0.000 0.985 72 Q CA 1.878 57.674 55.803 -0.012 0.000 0.863 72 Q CB -0.645 28.086 28.738 -0.011 0.000 0.904 72 Q HN 0.787 nan 8.270 nan 0.000 0.422 73 M N -0.525 119.068 119.600 -0.011 0.000 2.108 73 M HA -0.161 4.319 4.480 0.000 0.000 0.261 73 M C 2.262 178.545 176.300 -0.028 0.000 1.066 73 M CA 1.163 56.453 55.300 -0.016 0.000 1.107 73 M CB -0.347 32.251 32.600 -0.005 0.000 1.356 73 M HN -0.015 nan 8.290 nan 0.000 0.406 74 V N 0.491 120.392 119.914 -0.021 0.000 2.229 74 V HA -0.259 3.861 4.120 0.000 0.000 0.243 74 V C 2.173 178.240 176.094 -0.045 0.000 1.042 74 V CA 1.830 64.114 62.300 -0.027 0.000 1.000 74 V CB -0.737 31.078 31.823 -0.013 0.000 0.637 74 V HN 0.409 nan 8.190 nan 0.000 0.446 75 K N -0.114 120.264 120.400 -0.036 0.000 2.117 75 K HA -0.354 3.966 4.320 0.000 0.000 0.215 75 K C 2.182 178.743 176.600 -0.065 0.000 1.053 75 K CA 2.460 58.722 56.287 -0.042 0.000 0.935 75 K CB -0.370 32.112 32.500 -0.030 0.000 0.719 75 K HN 0.586 nan 8.250 nan 0.000 0.460 76 E N 0.621 120.780 120.200 -0.067 0.000 2.033 76 E HA -0.223 4.127 4.350 0.000 0.000 0.199 76 E C 2.044 178.550 176.600 -0.158 0.000 1.011 76 E CA 1.690 58.036 56.400 -0.089 0.000 0.815 76 E CB -0.061 29.596 29.700 -0.072 0.000 0.755 76 E HN 0.189 nan 8.360 nan 0.000 0.451 77 V N 0.522 120.322 119.914 -0.189 0.000 2.453 77 V HA -0.126 3.994 4.120 0.000 0.000 0.247 77 V C 2.198 178.057 176.094 -0.392 0.000 1.048 77 V CA 1.922 64.002 62.300 -0.367 0.000 1.049 77 V CB -0.294 31.358 31.823 -0.285 0.000 0.672 77 V HN 0.449 nan 8.190 nan 0.000 0.457 78 A N -0.855 121.854 122.820 -0.186 0.000 2.019 78 A HA -0.195 4.125 4.320 0.000 0.000 0.219 78 A C 2.525 180.044 177.584 -0.110 0.000 1.164 78 A CA 2.211 54.184 52.037 -0.106 0.000 0.644 78 A CB -0.806 18.163 19.000 -0.051 0.000 0.805 78 A HN 0.611 nan 8.150 nan 0.000 0.449 79 S N -0.428 115.196 115.700 -0.128 0.000 2.357 79 S HA -0.137 4.333 4.470 0.000 0.000 0.221 79 S C 2.008 176.537 174.600 -0.118 0.000 1.031 79 S CA 1.455 59.597 58.200 -0.096 0.000 0.982 79 S CB -0.309 62.844 63.200 -0.077 0.000 0.853 79 S HN 0.595 nan 8.310 nan 0.000 0.458 80 K N 1.165 121.432 120.400 -0.222 0.000 2.113 80 K HA -0.132 4.188 4.320 0.000 0.000 0.208 80 K C 2.337 178.884 176.600 -0.088 0.000 1.047 80 K CA 1.217 57.361 56.287 -0.238 0.000 0.928 80 K CB -0.503 31.687 32.500 -0.517 0.000 0.716 80 K HN 0.462 nan 8.250 nan 0.000 0.446 81 A N 2.542 125.284 122.820 -0.130 0.000 1.842 81 A HA -0.293 4.027 4.320 0.000 0.000 0.217 81 A C 2.088 179.749 177.584 0.128 0.000 1.206 81 A CA 2.015 54.218 52.037 0.277 0.000 0.630 81 A CB -0.995 18.150 19.000 0.242 0.000 0.839 81 A HN 0.382 nan 8.150 nan 0.000 0.447 82 N N 0.280 118.997 118.700 0.029 0.000 2.060 82 N HA -0.244 4.496 4.740 0.000 0.000 0.195 82 N C 1.211 176.709 175.510 -0.020 0.000 1.028 82 N CA 2.211 55.250 53.050 -0.018 0.000 0.861 82 N CB -0.589 37.871 38.487 -0.045 0.000 1.029 82 N HN 0.415 nan 8.380 nan 0.000 0.428 83 D N 0.210 120.608 120.400 -0.003 0.000 2.191 83 D HA -0.134 4.506 4.640 0.000 0.000 0.195 83 D C 0.641 176.966 176.300 0.042 0.000 1.003 83 D CA 1.510 55.517 54.000 0.012 0.000 0.867 83 D CB -0.311 40.496 40.800 0.011 0.000 0.926 83 D HN 0.465 nan 8.370 nan 0.000 0.450 84 A N -1.409 121.461 122.820 0.083 0.000 2.965 84 A HA 0.695 5.015 4.320 0.000 0.000 0.304 84 A C 0.814 178.435 177.584 0.062 0.000 1.214 84 A CA 0.490 52.580 52.037 0.088 0.000 0.977 84 A CB 0.396 19.474 19.000 0.129 0.000 1.127 84 A HN 0.124 nan 8.150 nan 0.000 0.572 85 A N -2.201 120.634 122.820 0.026 0.000 2.431 85 A HA 0.440 4.760 4.320 0.000 0.000 0.149 85 A C 1.515 179.065 177.584 -0.057 0.000 1.903 85 A CA 0.906 52.949 52.037 0.008 0.000 1.329 85 A CB -0.734 18.278 19.000 0.019 0.000 1.467 85 A HN 2.058 nan 8.150 nan 0.000 0.352 86 G N -0.881 107.822 108.800 -0.161 0.000 2.175 86 G HA2 -0.088 3.872 3.960 0.000 0.000 0.244 86 G HA3 -0.088 3.872 3.960 0.000 0.000 0.244 86 G C -0.166 174.592 174.900 -0.238 0.000 0.982 86 G CA 0.958 45.815 45.100 -0.404 0.000 0.641 86 G HN 1.190 nan 8.290 nan 0.000 0.527 87 D N -3.035 117.299 120.400 -0.111 0.000 2.827 87 D HA 0.489 5.129 4.640 0.000 0.000 0.336 87 D C 1.060 177.347 176.300 -0.023 0.000 1.374 87 D CA 1.163 55.126 54.000 -0.062 0.000 0.794 87 D CB 0.471 41.243 40.800 -0.047 0.000 1.364 87 D HN 1.344 nan 8.370 nan 0.000 0.464 88 G N -0.472 108.321 108.800 -0.011 0.000 2.279 88 G HA2 -0.344 3.616 3.960 0.000 0.000 0.223 88 G HA3 -0.344 3.616 3.960 0.000 0.000 0.223 88 G C 1.182 176.088 174.900 0.010 0.000 1.015 88 G CA 1.246 46.351 45.100 0.008 0.000 0.621 88 G HN 0.615 nan 8.290 nan 0.000 0.506 89 T N 1.192 115.745 114.554 -0.002 0.000 2.656 89 T HA -0.313 4.037 4.350 0.000 0.000 0.262 89 T C 2.329 177.026 174.700 -0.006 0.000 1.070 89 T CA 3.051 65.145 62.100 -0.010 0.000 1.160 89 T CB -0.993 67.862 68.868 -0.021 0.000 0.855 89 T HN 0.637 nan 8.240 nan 0.000 0.456 90 T N 1.558 116.109 114.554 -0.005 0.000 2.639 90 T HA -0.100 4.250 4.350 0.000 0.000 0.261 90 T C 2.331 177.033 174.700 0.004 0.000 1.053 90 T CA 1.739 63.838 62.100 -0.003 0.000 1.158 90 T CB -1.012 67.853 68.868 -0.004 0.000 0.863 90 T HN 0.446 nan 8.240 nan 0.000 0.413 91 T N 2.446 117.004 114.554 0.006 0.000 2.594 91 T HA -0.267 4.083 4.350 0.000 0.000 0.266 91 T C 2.290 177.001 174.700 0.019 0.000 1.070 91 T CA 1.782 63.888 62.100 0.011 0.000 1.166 91 T CB -0.918 67.957 68.868 0.012 0.000 0.862 91 T HN 0.465 nan 8.240 nan 0.000 0.436 92 A N 1.178 124.015 122.820 0.027 0.000 1.884 92 A HA -0.251 4.069 4.320 0.000 0.000 0.219 92 A C 2.579 180.180 177.584 0.027 0.000 1.197 92 A CA 2.762 54.824 52.037 0.042 0.000 0.637 92 A CB -1.583 17.452 19.000 0.059 0.000 0.827 92 A HN 0.543 nan 8.150 nan 0.000 0.450 93 T N -0.169 114.393 114.554 0.013 0.000 2.635 93 T HA -0.188 4.162 4.350 0.000 0.000 0.267 93 T C 1.894 176.600 174.700 0.010 0.000 1.040 93 T CA 1.934 64.038 62.100 0.006 0.000 1.156 93 T CB -0.755 68.112 68.868 -0.001 0.000 0.863 93 T HN 0.219 nan 8.240 nan 0.000 0.430 94 V N 1.630 121.550 119.914 0.010 0.000 2.252 94 V HA -0.218 3.902 4.120 0.000 0.000 0.249 94 V C 2.528 178.630 176.094 0.013 0.000 1.056 94 V CA 1.830 64.135 62.300 0.010 0.000 1.022 94 V CB -0.913 30.915 31.823 0.010 0.000 0.641 94 V HN 0.417 nan 8.190 nan 0.000 0.445 95 L N -0.028 121.205 121.223 0.017 0.000 1.989 95 L HA -0.193 4.147 4.340 0.000 0.000 0.211 95 L C 2.830 179.712 176.870 0.020 0.000 1.071 95 L CA 1.675 56.527 54.840 0.019 0.000 0.749 95 L CB -1.053 41.020 42.059 0.025 0.000 0.890 95 L HN 0.369 nan 8.230 nan 0.000 0.431 96 A N -0.294 122.540 122.820 0.023 0.000 1.906 96 A HA -0.419 3.901 4.320 0.000 0.000 0.222 96 A C 2.249 179.842 177.584 0.015 0.000 1.282 96 A CA 2.731 54.781 52.037 0.021 0.000 0.675 96 A CB -1.025 17.985 19.000 0.017 0.000 0.838 96 A HN 0.576 nan 8.150 nan 0.000 0.469 97 Q N -1.049 118.758 119.800 0.012 0.000 1.975 97 Q HA -0.154 4.186 4.340 0.000 0.000 0.205 97 Q C 2.307 178.313 176.000 0.010 0.000 0.990 97 Q CA 2.148 57.957 55.803 0.009 0.000 0.845 97 Q CB -0.488 28.255 28.738 0.008 0.000 0.913 97 Q HN 0.665 nan 8.270 nan 0.000 0.420 98 A N 0.953 123.779 122.820 0.011 0.000 1.900 98 A HA -0.320 4.000 4.320 0.000 0.000 0.225 98 A C 2.003 179.594 177.584 0.010 0.000 1.414 98 A CA 2.446 54.489 52.037 0.011 0.000 0.702 98 A CB -1.365 17.642 19.000 0.012 0.000 0.845 98 A HN 0.566 nan 8.150 nan 0.000 0.478 99 I N -0.566 120.011 120.570 0.012 0.000 2.072 99 I HA -0.270 3.900 4.170 0.000 0.000 0.235 99 I C 2.392 178.515 176.117 0.010 0.000 1.058 99 I CA 1.768 63.075 61.300 0.012 0.000 1.320 99 I CB -0.552 37.457 38.000 0.015 0.000 1.047 99 I HN 0.382 nan 8.210 nan 0.000 0.397 100 I N 0.641 121.218 120.570 0.010 0.000 2.182 100 I HA -0.400 3.770 4.170 0.000 0.000 0.248 100 I C 2.557 178.678 176.117 0.006 0.000 1.073 100 I CA 1.957 63.262 61.300 0.008 0.000 1.335 100 I CB -1.036 36.968 38.000 0.008 0.000 1.031 100 I HN 0.394 nan 8.210 nan 0.000 0.420 101 T N 0.214 114.771 114.554 0.006 0.000 2.595 101 T HA -0.177 4.173 4.350 0.000 0.000 0.264 101 T C 1.819 176.521 174.700 0.004 0.000 1.058 101 T CA 1.470 63.572 62.100 0.005 0.000 1.166 101 T CB -0.235 68.636 68.868 0.005 0.000 0.863 101 T HN 0.326 nan 8.240 nan 0.000 0.415 102 E N 0.888 121.091 120.200 0.005 0.000 2.017 102 E HA -0.057 4.293 4.350 0.000 0.000 0.193 102 E C 2.664 179.267 176.600 0.004 0.000 0.997 102 E CA 1.382 57.784 56.400 0.005 0.000 0.804 102 E CB -1.154 28.549 29.700 0.005 0.000 0.757 102 E HN 0.553 nan 8.360 nan 0.000 0.448 103 G N 1.075 109.878 108.800 0.005 0.000 2.485 103 G HA2 -0.241 3.719 3.960 0.000 0.000 0.221 103 G HA3 -0.241 3.719 3.960 0.000 0.000 0.221 103 G C 1.511 176.413 174.900 0.003 0.000 1.115 103 G CA 0.610 45.713 45.100 0.005 0.000 0.751 103 G HN 0.145 nan 8.290 nan 0.000 0.567 104 L N -0.139 121.085 121.223 0.003 0.000 2.341 104 L HA 0.254 4.594 4.340 0.000 0.000 0.214 104 L C 2.609 179.479 176.870 -0.000 0.000 1.115 104 L CA 1.153 55.993 54.840 0.000 0.000 0.820 104 L CB -0.203 41.855 42.059 -0.001 0.000 0.944 104 L HN 0.158 nan 8.230 nan 0.000 0.452 105 K N -0.982 119.419 120.400 0.001 0.000 2.031 105 K HA -0.030 4.290 4.320 0.000 0.000 0.205 105 K C 2.124 178.724 176.600 0.001 0.000 1.049 105 K CA 1.122 57.410 56.287 0.000 0.000 0.939 105 K CB -0.313 32.188 32.500 0.001 0.000 0.717 105 K HN 0.290 nan 8.250 nan 0.000 0.438 106 A N 1.810 124.631 122.820 0.002 0.000 1.859 106 A HA -0.223 4.097 4.320 0.000 0.000 0.218 106 A C 2.480 180.065 177.584 0.002 0.000 1.209 106 A CA 2.605 54.643 52.037 0.002 0.000 0.639 106 A CB -1.397 17.605 19.000 0.003 0.000 0.835 106 A HN 0.211 nan 8.150 nan 0.000 0.450 107 V N -2.100 117.815 119.914 0.002 0.000 2.278 107 V HA -0.226 3.894 4.120 0.000 0.000 0.251 107 V C 2.523 178.618 176.094 0.001 0.000 1.062 107 V CA 2.430 64.732 62.300 0.002 0.000 1.038 107 V CB -1.710 30.114 31.823 0.002 0.000 0.646 107 V HN 0.709 nan 8.190 nan 0.000 0.447 108 A N 0.059 122.879 122.820 0.000 0.000 2.168 108 A HA 0.441 4.761 4.320 0.000 0.000 0.215 108 A C 2.279 179.862 177.584 -0.001 0.000 1.152 108 A CA 1.442 53.478 52.037 -0.001 0.000 0.716 108 A CB -0.670 18.329 19.000 -0.002 0.000 0.794 108 A HN 1.027 nan 8.150 nan 0.000 0.465 109 A N -2.099 120.721 122.820 0.000 0.000 2.132 109 A HA 0.436 4.756 4.320 0.000 0.000 0.213 109 A C 1.736 179.320 177.584 0.000 0.000 1.154 109 A CA 1.435 53.472 52.037 0.000 0.000 0.753 109 A CB -0.304 18.697 19.000 0.001 0.000 0.826 109 A HN 1.570 nan 8.150 nan 0.000 0.469 110 G N -1.976 106.824 108.800 0.001 0.000 2.480 110 G HA2 -0.150 3.810 3.960 0.000 0.000 0.193 110 G HA3 -0.150 3.810 3.960 0.000 0.000 0.193 110 G C 0.306 175.207 174.900 0.002 0.000 1.004 110 G CA -0.040 45.060 45.100 0.001 0.000 0.696 110 G HN 0.269 nan 8.290 nan 0.000 0.478 111 M N 1.454 121.055 119.600 0.002 0.000 2.245 111 M HA 0.195 4.675 4.480 0.000 0.000 0.312 111 M C 0.760 177.062 176.300 0.003 0.000 1.070 111 M CA -0.064 55.237 55.300 0.002 0.000 1.162 111 M CB 0.207 32.809 32.600 0.003 0.000 1.448 111 M HN 0.287 nan 8.290 nan 0.000 0.446 112 N N 2.259 120.961 118.700 0.004 0.000 2.442 112 N HA 0.109 4.849 4.740 0.000 0.000 0.265 112 N C -2.249 173.264 175.510 0.005 0.000 1.138 112 N CA -1.430 51.623 53.050 0.004 0.000 0.956 112 N CB 1.168 39.658 38.487 0.004 0.000 1.067 112 N HN 0.246 nan 8.380 nan 0.000 0.474 113 P HA -0.083 nan 4.420 nan 0.000 0.214 113 P C 1.539 178.843 177.300 0.006 0.000 1.162 113 P CA 1.069 64.172 63.100 0.006 0.000 0.879 113 P CB 0.163 31.867 31.700 0.007 0.000 0.786 114 M N -0.319 119.285 119.600 0.007 0.000 2.108 114 M HA -0.200 4.280 4.480 0.000 0.000 0.257 114 M C 1.386 177.690 176.300 0.006 0.000 1.071 114 M CA 1.826 57.130 55.300 0.007 0.000 1.093 114 M CB -1.229 31.375 32.600 0.007 0.000 1.345 114 M HN -0.123 nan 8.290 nan 0.000 0.403 115 D N -0.795 119.608 120.400 0.005 0.000 2.120 115 D HA -0.070 4.570 4.640 0.000 0.000 0.202 115 D C 2.132 178.435 176.300 0.005 0.000 0.972 115 D CA 1.140 55.143 54.000 0.005 0.000 0.837 115 D CB -0.323 40.479 40.800 0.004 0.000 0.989 115 D HN 0.343 nan 8.370 nan 0.000 0.469 116 L N 1.123 122.349 121.223 0.005 0.000 1.997 116 L HA -0.261 4.079 4.340 0.000 0.000 0.216 116 L C 2.627 179.501 176.870 0.006 0.000 1.074 116 L CA 1.534 56.377 54.840 0.006 0.000 0.763 116 L CB -0.569 41.493 42.059 0.005 0.000 0.890 116 L HN 0.042 nan 8.230 nan 0.000 0.434 117 K N 0.424 120.828 120.400 0.007 0.000 2.009 117 K HA -0.272 4.048 4.320 0.000 0.000 0.210 117 K C 2.319 178.924 176.600 0.007 0.000 1.049 117 K CA 1.817 58.109 56.287 0.008 0.000 0.929 117 K CB -0.159 32.346 32.500 0.009 0.000 0.714 117 K HN 0.095 nan 8.250 nan 0.000 0.440 118 R N -0.125 120.379 120.500 0.006 0.000 2.115 118 R HA -0.173 4.167 4.340 0.000 0.000 0.239 118 R C 2.390 178.693 176.300 0.005 0.000 1.133 118 R CA 2.183 58.286 56.100 0.005 0.000 0.935 118 R CB -1.018 29.284 30.300 0.004 0.000 0.853 118 R HN 0.478 nan 8.270 nan 0.000 0.433 119 G N 0.934 109.737 108.800 0.005 0.000 2.505 119 G HA2 -0.304 3.656 3.960 0.000 0.000 0.220 119 G HA3 -0.304 3.656 3.960 0.000 0.000 0.220 119 G C 1.481 176.384 174.900 0.005 0.000 1.145 119 G CA 1.419 46.522 45.100 0.004 0.000 0.761 119 G HN 0.351 nan 8.290 nan 0.000 0.571 120 I N 0.858 121.431 120.570 0.006 0.000 2.090 120 I HA -0.146 4.024 4.170 0.000 0.000 0.236 120 I C 2.434 178.555 176.117 0.005 0.000 1.064 120 I CA 1.449 62.753 61.300 0.007 0.000 1.324 120 I CB -0.401 37.604 38.000 0.009 0.000 1.044 120 I HN 0.094 nan 8.210 nan 0.000 0.399 121 D N 1.027 121.431 120.400 0.005 0.000 2.191 121 D HA -0.287 4.353 4.640 0.000 0.000 0.195 121 D C 1.965 178.265 176.300 0.001 0.000 1.003 121 D CA 1.586 55.587 54.000 0.003 0.000 0.867 121 D CB -0.329 40.473 40.800 0.003 0.000 0.926 121 D HN 0.388 nan 8.370 nan 0.000 0.450 122 K N 0.859 121.260 120.400 0.002 0.000 1.985 122 K HA -0.140 4.180 4.320 0.000 0.000 0.210 122 K C 2.229 178.829 176.600 0.001 0.000 1.047 122 K CA 1.419 57.706 56.287 0.001 0.000 0.932 122 K CB -0.168 32.333 32.500 0.002 0.000 0.716 122 K HN 0.018 nan 8.250 nan 0.000 0.439 123 A N 0.888 123.710 122.820 0.002 0.000 1.896 123 A HA -0.215 4.105 4.320 0.000 0.000 0.220 123 A C 2.298 179.883 177.584 0.002 0.000 1.206 123 A CA 2.353 54.392 52.037 0.003 0.000 0.647 123 A CB -1.105 17.898 19.000 0.005 0.000 0.828 123 A HN 0.229 nan 8.150 nan 0.000 0.455 124 V N -0.401 119.514 119.914 0.001 0.000 2.220 124 V HA -0.298 3.822 4.120 0.000 0.000 0.246 124 V C 2.695 178.785 176.094 -0.006 0.000 1.049 124 V CA 2.655 64.954 62.300 -0.002 0.000 1.003 124 V CB -1.642 30.179 31.823 -0.004 0.000 0.634 124 V HN 0.655 nan 8.190 nan 0.000 0.444 125 T N 0.617 115.167 114.554 -0.007 0.000 2.594 125 T HA -0.354 3.996 4.350 0.000 0.000 0.266 125 T C 2.005 176.701 174.700 -0.006 0.000 1.070 125 T CA 2.375 64.470 62.100 -0.009 0.000 1.166 125 T CB -0.711 68.153 68.868 -0.007 0.000 0.862 125 T HN 0.628 nan 8.240 nan 0.000 0.436 126 A N 1.562 124.380 122.820 -0.003 0.000 1.851 126 A HA 0.080 4.400 4.320 0.000 0.000 0.216 126 A C 2.719 180.303 177.584 -0.000 0.000 1.195 126 A CA 2.312 54.349 52.037 -0.001 0.000 0.622 126 A CB -1.365 17.636 19.000 0.001 0.000 0.831 126 A HN 0.582 nan 8.150 nan 0.000 0.444 127 A N -0.669 122.151 122.820 0.001 0.000 1.978 127 A HA -0.019 4.301 4.320 0.000 0.000 0.220 127 A C 2.191 179.775 177.584 -0.001 0.000 1.170 127 A CA 1.864 53.903 52.037 0.002 0.000 0.636 127 A CB -0.970 18.032 19.000 0.003 0.000 0.810 127 A HN 0.476 nan 8.150 nan 0.000 0.448 128 V N -0.290 119.621 119.914 -0.006 0.000 2.407 128 V HA -0.248 3.872 4.120 0.000 0.000 0.248 128 V C 2.522 178.612 176.094 -0.007 0.000 1.055 128 V CA 2.348 64.641 62.300 -0.011 0.000 1.049 128 V CB -0.784 31.028 31.823 -0.019 0.000 0.662 128 V HN 0.538 nan 8.190 nan 0.000 0.455 129 E N 0.220 120.417 120.200 -0.005 0.000 2.017 129 E HA -0.169 4.181 4.350 0.000 0.000 0.193 129 E C 2.321 178.922 176.600 0.001 0.000 0.997 129 E CA 1.138 57.536 56.400 -0.002 0.000 0.804 129 E CB -0.377 29.322 29.700 -0.001 0.000 0.757 129 E HN 0.502 nan 8.360 nan 0.000 0.448 130 E N 0.106 120.308 120.200 0.003 0.000 2.164 130 E HA -0.255 4.095 4.350 0.000 0.000 0.206 130 E C 2.131 178.736 176.600 0.008 0.000 1.032 130 E CA 0.968 57.373 56.400 0.007 0.000 0.832 130 E CB -0.446 29.259 29.700 0.009 0.000 0.742 130 E HN 0.167 nan 8.360 nan 0.000 0.460 131 L N 1.343 122.569 121.223 0.006 0.000 2.042 131 L HA -0.199 4.141 4.340 0.000 0.000 0.210 131 L C 2.212 179.085 176.870 0.006 0.000 1.076 131 L CA 1.778 56.622 54.840 0.006 0.000 0.749 131 L CB -0.299 41.761 42.059 0.001 0.000 0.893 131 L HN 0.046 nan 8.230 nan 0.000 0.432 132 K N -1.088 119.314 120.400 0.003 0.000 2.063 132 K HA -0.160 4.160 4.320 0.000 0.000 0.208 132 K C 2.085 178.689 176.600 0.007 0.000 1.048 132 K CA 1.343 57.633 56.287 0.003 0.000 0.928 132 K CB -0.422 32.079 32.500 0.001 0.000 0.713 132 K HN 0.393 nan 8.250 nan 0.000 0.442 133 A N 1.783 124.608 122.820 0.008 0.000 1.845 133 A HA -0.167 4.153 4.320 0.000 0.000 0.215 133 A C 2.166 179.758 177.584 0.013 0.000 1.195 133 A CA 1.311 53.354 52.037 0.010 0.000 0.616 133 A CB -0.692 18.314 19.000 0.010 0.000 0.832 133 A HN 0.251 nan 8.150 nan 0.000 0.443 134 L N 0.434 121.666 121.223 0.015 0.000 2.127 134 L HA -0.011 4.329 4.340 0.000 0.000 0.211 134 L C 1.500 178.381 176.870 0.018 0.000 1.089 134 L CA 1.586 56.438 54.840 0.019 0.000 0.757 134 L CB -0.801 41.270 42.059 0.021 0.000 0.899 134 L HN 0.304 nan 8.230 nan 0.000 0.434 135 S N -0.696 115.012 115.700 0.014 0.000 2.546 135 S HA 0.169 4.639 4.470 0.000 0.000 0.290 135 S C -0.191 174.417 174.600 0.014 0.000 1.290 135 S CA -0.502 57.706 58.200 0.013 0.000 1.069 135 S CB 0.085 63.291 63.200 0.010 0.000 0.846 135 S HN 0.106 nan 8.310 nan 0.000 0.495 136 V N 8.742 128.665 119.914 0.015 0.000 2.370 136 V HA 0.367 4.487 4.120 0.000 0.000 0.283 136 V C -1.958 174.144 176.094 0.013 0.000 1.023 136 V CA -1.860 60.449 62.300 0.015 0.000 0.857 136 V CB 1.138 32.971 31.823 0.017 0.000 0.985 136 V HN 0.783 nan 8.190 nan 0.000 0.443 137 P HA -0.007 nan 4.420 nan 0.000 0.270 137 P C -0.523 176.784 177.300 0.012 0.000 1.216 137 P CA 0.023 63.130 63.100 0.012 0.000 0.788 137 P CB 0.338 32.044 31.700 0.011 0.000 0.883 138 C N 1.793 121.100 119.300 0.012 0.000 3.078 138 C HA 0.539 4.999 4.460 0.000 0.000 0.320 138 C C 0.916 175.913 174.990 0.012 0.000 1.039 138 C CA 0.340 59.366 59.018 0.012 0.000 1.386 138 C CB -0.870 26.878 27.740 0.013 0.000 1.836 138 C HN 0.634 nan 8.230 nan 0.000 0.514 139 S N 2.755 118.461 115.700 0.011 0.000 3.526 139 S HA 0.216 4.686 4.470 0.000 0.000 0.222 139 S C 0.187 174.792 174.600 0.009 0.000 1.001 139 S CA 0.704 58.910 58.200 0.010 0.000 0.831 139 S CB -0.269 62.937 63.200 0.010 0.000 0.941 139 S HN 0.935 nan 8.310 nan 0.000 0.585 140 D N 2.012 122.417 120.400 0.008 0.000 2.474 140 D HA 0.047 4.687 4.640 0.000 0.000 0.232 140 D C 0.657 176.961 176.300 0.006 0.000 1.177 140 D CA 0.490 54.494 54.000 0.007 0.000 0.876 140 D CB 0.174 40.978 40.800 0.007 0.000 1.208 140 D HN 0.158 nan 8.370 nan 0.000 0.464 141 S N 0.337 116.041 115.700 0.005 0.000 2.528 141 S HA -0.174 4.296 4.470 0.000 0.000 0.244 141 S C 1.470 176.073 174.600 0.005 0.000 0.982 141 S CA 1.000 59.202 58.200 0.005 0.000 0.953 141 S CB -0.257 62.945 63.200 0.003 0.000 0.754 141 S HN 0.621 nan 8.310 nan 0.000 0.529 142 K N 1.803 122.206 120.400 0.005 0.000 1.995 142 K HA 0.032 4.352 4.320 0.000 0.000 0.207 142 K C 2.349 178.953 176.600 0.006 0.000 1.041 142 K CA 1.074 57.365 56.287 0.006 0.000 0.942 142 K CB -0.476 32.028 32.500 0.006 0.000 0.731 142 K HN 0.235 nan 8.250 nan 0.000 0.439 143 A N 1.895 124.720 122.820 0.007 0.000 1.948 143 A HA -0.176 4.144 4.320 0.000 0.000 0.220 143 A C 2.081 179.670 177.584 0.009 0.000 1.177 143 A CA 1.550 53.593 52.037 0.009 0.000 0.636 143 A CB -0.627 18.379 19.000 0.010 0.000 0.815 143 A HN 0.375 nan 8.150 nan 0.000 0.449 144 I N -0.167 120.408 120.570 0.008 0.000 2.113 144 I HA -0.244 3.926 4.170 0.000 0.000 0.238 144 I C 2.958 179.079 176.117 0.007 0.000 1.070 144 I CA 1.621 62.926 61.300 0.008 0.000 1.332 144 I CB -1.728 36.276 38.000 0.006 0.000 1.044 144 I HN 0.364 nan 8.210 nan 0.000 0.402 145 A N -0.074 122.750 122.820 0.005 0.000 1.969 145 A HA -0.248 4.072 4.320 0.000 0.000 0.218 145 A C 2.202 179.789 177.584 0.005 0.000 1.169 145 A CA 1.660 53.700 52.037 0.004 0.000 0.635 145 A CB -0.567 18.435 19.000 0.003 0.000 0.810 145 A HN 0.477 nan 8.150 nan 0.000 0.445 146 Q N 0.074 119.878 119.800 0.006 0.000 1.858 146 Q HA -0.184 4.156 4.340 0.000 0.000 0.240 146 Q C 2.008 178.012 176.000 0.007 0.000 1.014 146 Q CA 2.848 58.655 55.803 0.006 0.000 0.884 146 Q CB -1.090 27.652 28.738 0.008 0.000 0.957 146 Q HN 0.523 nan 8.270 nan 0.000 0.419 147 V N 0.483 120.402 119.914 0.009 0.000 2.363 147 V HA -0.258 3.862 4.120 0.000 0.000 0.254 147 V C 1.810 177.911 176.094 0.011 0.000 1.074 147 V CA 2.921 65.227 62.300 0.010 0.000 1.069 147 V CB -1.300 30.531 31.823 0.013 0.000 0.659 147 V HN 0.597 nan 8.190 nan 0.000 0.455 148 G N -0.189 108.617 108.800 0.010 0.000 2.524 148 G HA2 -0.341 3.619 3.960 0.000 0.000 0.215 148 G HA3 -0.341 3.619 3.960 0.000 0.000 0.215 148 G C 1.749 176.653 174.900 0.007 0.000 1.239 148 G CA 2.172 47.277 45.100 0.009 0.000 0.798 148 G HN 0.731 nan 8.290 nan 0.000 0.557 149 T N 0.302 114.859 114.554 0.005 0.000 2.760 149 T HA -0.179 4.171 4.350 0.000 0.000 0.269 149 T C 2.349 177.050 174.700 0.002 0.000 1.047 149 T CA 1.602 63.704 62.100 0.003 0.000 1.139 149 T CB -0.394 68.475 68.868 0.002 0.000 0.855 149 T HN 0.305 nan 8.240 nan 0.000 0.471 150 I N 1.209 121.781 120.570 0.003 0.000 2.163 150 I HA -0.116 4.054 4.170 0.000 0.000 0.240 150 I C 3.035 179.153 176.117 0.002 0.000 1.081 150 I CA 1.497 62.797 61.300 0.001 0.000 1.353 150 I CB -0.669 37.332 38.000 0.001 0.000 1.054 150 I HN 0.323 nan 8.210 nan 0.000 0.407 151 S N 0.609 116.313 115.700 0.007 0.000 2.447 151 S HA -0.034 4.436 4.470 0.000 0.000 0.233 151 S C 1.909 176.515 174.600 0.011 0.000 1.006 151 S CA 1.072 59.279 58.200 0.011 0.000 0.957 151 S CB -0.185 63.028 63.200 0.021 0.000 0.773 151 S HN 0.451 nan 8.310 nan 0.000 0.507 152 A N 1.143 123.968 122.820 0.008 0.000 2.238 152 A HA 0.273 4.593 4.320 0.000 0.000 0.208 152 A C 0.700 178.285 177.584 0.002 0.000 1.177 152 A CA 0.436 52.477 52.037 0.006 0.000 0.804 152 A CB -0.801 18.201 19.000 0.004 0.000 0.823 152 A HN 0.828 nan 8.150 nan 0.000 0.482 153 N N -0.953 117.747 118.700 -0.000 0.000 2.792 153 N HA -0.221 4.519 4.740 0.000 0.000 0.258 153 N C 0.366 175.873 175.510 -0.005 0.000 1.118 153 N CA 0.297 53.345 53.050 -0.004 0.000 0.672 153 N CB -1.156 37.328 38.487 -0.005 0.000 0.913 153 N HN 0.322 nan 8.380 nan 0.000 0.562 154 S N -1.077 114.621 115.700 -0.005 0.000 2.115 154 S HA -0.286 4.184 4.470 0.000 0.000 0.227 154 S C 0.061 174.660 174.600 -0.003 0.000 1.127 154 S CA 1.470 59.668 58.200 -0.004 0.000 1.645 154 S CB -0.957 62.239 63.200 -0.006 0.000 2.159 154 S HN 0.848 nan 8.310 nan 0.000 0.584 155 D N 2.714 123.113 120.400 -0.002 0.000 2.419 155 D HA 0.007 4.647 4.640 0.000 0.000 0.281 155 D C 1.081 177.380 176.300 -0.001 0.000 1.398 155 D CA 0.596 54.595 54.000 -0.002 0.000 1.047 155 D CB 0.205 41.004 40.800 -0.002 0.000 1.115 155 D HN 0.615 nan 8.370 nan 0.000 0.540 156 E N 1.286 121.485 120.200 -0.001 0.000 2.058 156 E HA -0.216 4.134 4.350 0.000 0.000 0.194 156 E C 2.042 178.642 176.600 -0.001 0.000 0.997 156 E CA 1.795 58.195 56.400 -0.000 0.000 0.801 156 E CB -0.098 29.602 29.700 -0.000 0.000 0.746 156 E HN 0.698 nan 8.360 nan 0.000 0.450 157 T N -0.299 114.255 114.554 -0.001 0.000 2.714 157 T HA -0.222 4.128 4.350 0.000 0.000 0.268 157 T C 2.029 176.727 174.700 -0.002 0.000 1.036 157 T CA 1.748 63.846 62.100 -0.002 0.000 1.148 157 T CB -0.823 68.044 68.868 -0.003 0.000 0.856 157 T HN -0.023 nan 8.240 nan 0.000 0.462 158 V N 2.362 122.275 119.914 -0.002 0.000 2.216 158 V HA 0.002 4.122 4.120 0.000 0.000 0.242 158 V C 3.206 179.299 176.094 -0.002 0.000 1.042 158 V CA 1.982 64.280 62.300 -0.002 0.000 0.991 158 V CB -1.692 30.130 31.823 -0.001 0.000 0.633 158 V HN 0.653 nan 8.190 nan 0.000 0.449 159 G N -0.264 108.536 108.800 0.000 0.000 2.562 159 G HA2 -0.394 3.566 3.960 0.000 0.000 0.223 159 G HA3 -0.394 3.566 3.960 0.000 0.000 0.223 159 G C 1.557 176.457 174.900 -0.000 0.000 1.102 159 G CA 1.538 46.639 45.100 0.001 0.000 0.742 159 G HN 0.562 nan 8.290 nan 0.000 0.587 160 K N -0.256 120.143 120.400 -0.001 0.000 1.965 160 K HA -0.105 4.215 4.320 0.000 0.000 0.218 160 K C 2.493 179.092 176.600 -0.002 0.000 1.048 160 K CA 1.485 57.771 56.287 -0.001 0.000 0.960 160 K CB -0.392 32.107 32.500 -0.002 0.000 0.732 160 K HN 0.156 nan 8.250 nan 0.000 0.444 161 L N 1.580 122.800 121.223 -0.004 0.000 2.051 161 L HA -0.245 4.095 4.340 0.000 0.000 0.214 161 L C 2.369 179.235 176.870 -0.007 0.000 1.076 161 L CA 1.723 56.559 54.840 -0.006 0.000 0.758 161 L CB -0.684 41.371 42.059 -0.007 0.000 0.890 161 L HN 0.369 nan 8.230 nan 0.000 0.433 162 I N -0.807 119.759 120.570 -0.007 0.000 2.208 162 I HA -0.355 3.815 4.170 0.000 0.000 0.245 162 I C 2.620 178.735 176.117 -0.005 0.000 1.097 162 I CA 1.373 62.669 61.300 -0.007 0.000 1.363 162 I CB -0.678 37.319 38.000 -0.006 0.000 1.051 162 I HN 0.286 nan 8.210 nan 0.000 0.413 163 A N 0.586 123.405 122.820 -0.002 0.000 1.898 163 A HA -0.199 4.121 4.320 0.000 0.000 0.216 163 A C 2.208 179.791 177.584 -0.001 0.000 1.181 163 A CA 1.570 53.607 52.037 -0.000 0.000 0.620 163 A CB -0.548 18.452 19.000 0.001 0.000 0.819 163 A HN 0.459 nan 8.150 nan 0.000 0.442 164 E N 0.077 120.276 120.200 -0.002 0.000 2.023 164 E HA -0.148 4.202 4.350 0.000 0.000 0.196 164 E C 2.382 178.980 176.600 -0.004 0.000 1.003 164 E CA 0.984 57.382 56.400 -0.003 0.000 0.809 164 E CB -0.432 29.266 29.700 -0.004 0.000 0.755 164 E HN 0.585 nan 8.360 nan 0.000 0.449 165 A N 1.911 124.728 122.820 -0.006 0.000 1.859 165 A HA -0.305 4.015 4.320 0.000 0.000 0.218 165 A C 2.300 179.880 177.584 -0.005 0.000 1.242 165 A CA 2.460 54.493 52.037 -0.007 0.000 0.661 165 A CB -0.938 18.056 19.000 -0.011 0.000 0.842 165 A HN 0.190 nan 8.150 nan 0.000 0.455 166 M N -1.188 118.409 119.600 -0.005 0.000 2.192 166 M HA -0.219 4.261 4.480 0.000 0.000 0.259 166 M C 1.723 178.023 176.300 -0.000 0.000 1.071 166 M CA 2.051 57.350 55.300 -0.002 0.000 1.082 166 M CB -0.726 31.874 32.600 0.000 0.000 1.373 166 M HN 0.559 nan 8.290 nan 0.000 0.408 167 D N 0.283 120.683 120.400 -0.001 0.000 2.350 167 D HA -0.098 4.542 4.640 0.000 0.000 0.216 167 D C 1.891 178.191 176.300 -0.001 0.000 0.968 167 D CA 0.936 54.936 54.000 0.000 0.000 0.894 167 D CB 0.352 41.152 40.800 -0.000 0.000 0.909 167 D HN 0.144 nan 8.370 nan 0.000 0.520 168 K N -0.377 120.022 120.400 -0.002 0.000 2.183 168 K HA 0.096 4.416 4.320 0.000 0.000 0.218 168 K C 1.539 178.138 176.600 -0.002 0.000 1.025 168 K CA 0.282 56.568 56.287 -0.002 0.000 0.944 168 K CB -0.998 31.500 32.500 -0.004 0.000 0.936 168 K HN -0.011 nan 8.250 nan 0.000 0.460 169 V N 1.200 121.112 119.914 -0.003 0.000 3.636 169 V HA 0.152 4.272 4.120 0.000 0.000 0.279 169 V C 0.205 176.298 176.094 -0.001 0.000 1.263 169 V CA 1.017 63.315 62.300 -0.002 0.000 1.182 169 V CB -1.055 30.766 31.823 -0.003 0.000 0.955 169 V HN 0.653 nan 8.190 nan 0.000 0.443 170 G N 0.373 109.173 108.800 0.000 0.000 2.746 170 G HA2 -0.217 3.743 3.960 0.000 0.000 0.685 170 G HA3 -0.217 3.743 3.960 0.000 0.000 0.685 170 G C 0.203 175.106 174.900 0.004 0.000 1.350 170 G CA 0.070 45.172 45.100 0.003 0.000 0.837 170 G HN 0.341 nan 8.290 nan 0.000 0.564 171 K N 0.067 120.471 120.400 0.007 0.000 2.097 171 K HA -0.086 4.234 4.320 0.000 0.000 0.206 171 K C 1.871 178.477 176.600 0.010 0.000 1.049 171 K CA 1.924 58.216 56.287 0.008 0.000 0.933 171 K CB -0.013 32.494 32.500 0.012 0.000 0.717 171 K HN 0.437 nan 8.250 nan 0.000 0.442 172 E N 0.207 120.414 120.200 0.012 0.000 2.479 172 E HA 0.069 4.419 4.350 0.000 0.000 0.193 172 E C 0.543 177.149 176.600 0.011 0.000 1.049 172 E CA -0.077 56.332 56.400 0.015 0.000 0.870 172 E CB 0.289 30.000 29.700 0.019 0.000 0.944 172 E HN 0.306 nan 8.360 nan 0.000 0.492 173 G N -0.046 108.757 108.800 0.006 0.000 2.750 173 G HA2 0.166 4.126 3.960 0.000 0.000 0.250 173 G HA3 0.166 4.126 3.960 0.000 0.000 0.250 173 G C -0.267 174.634 174.900 0.002 0.000 1.230 173 G CA -0.480 44.621 45.100 0.003 0.000 0.883 173 G HN 0.062 nan 8.290 nan 0.000 0.573 174 V N 1.027 120.942 119.914 0.002 0.000 2.328 174 V HA 0.315 4.435 4.120 0.000 0.000 0.278 174 V C -0.374 175.714 176.094 -0.010 0.000 1.021 174 V CA -0.337 61.963 62.300 -0.000 0.000 0.838 174 V CB 0.686 32.514 31.823 0.009 0.000 0.999 174 V HN 0.432 nan 8.190 nan 0.000 0.447 175 I N 4.938 125.495 120.570 -0.020 0.000 2.441 175 I HA 0.709 4.879 4.170 0.000 0.000 0.295 175 I C 0.522 176.616 176.117 -0.039 0.000 0.994 175 I CA 0.083 61.367 61.300 -0.027 0.000 1.144 175 I CB 2.214 40.195 38.000 -0.030 0.000 1.314 175 I HN 0.749 nan 8.210 nan 0.000 0.445 176 T N 2.126 116.659 114.554 -0.035 0.000 2.864 176 T HA 0.912 5.262 4.350 0.000 0.000 0.289 176 T C -0.841 173.837 174.700 -0.037 0.000 1.082 176 T CA -0.813 61.263 62.100 -0.041 0.000 1.009 176 T CB 1.716 70.563 68.868 -0.035 0.000 1.234 176 T HN 0.236 nan 8.240 nan 0.000 0.526 177 V N 0.937 120.829 119.914 -0.037 0.000 2.686 177 V HA 0.617 4.737 4.120 0.000 0.000 0.306 177 V C -0.852 175.226 176.094 -0.026 0.000 1.065 177 V CA -0.811 61.471 62.300 -0.030 0.000 0.894 177 V CB 1.655 33.459 31.823 -0.032 0.000 1.004 177 V HN 1.037 nan 8.190 nan 0.000 0.424 178 E N 1.675 121.862 120.200 -0.021 0.000 2.317 178 E HA 0.472 4.822 4.350 0.000 0.000 0.270 178 E C -1.609 174.981 176.600 -0.016 0.000 0.885 178 E CA -1.056 55.332 56.400 -0.020 0.000 0.760 178 E CB 2.255 31.944 29.700 -0.020 0.000 1.227 178 E HN 0.694 nan 8.360 nan 0.000 0.434 179 D N 0.999 121.390 120.400 -0.015 0.000 2.449 179 D HA 0.190 4.830 4.640 0.000 0.000 0.236 179 D C 0.265 176.558 176.300 -0.013 0.000 1.149 179 D CA 0.611 54.604 54.000 -0.013 0.000 0.878 179 D CB 0.537 41.329 40.800 -0.013 0.000 1.198 179 D HN 0.460 nan 8.370 nan 0.000 0.446 180 G N -0.204 108.590 108.800 -0.011 0.000 2.467 180 G HA2 0.292 4.252 3.960 0.000 0.000 0.257 180 G HA3 0.292 4.252 3.960 0.000 0.000 0.257 180 G C 1.143 176.037 174.900 -0.010 0.000 1.227 180 G CA -0.280 44.813 45.100 -0.010 0.000 0.835 180 G HN 0.534 nan 8.290 nan 0.000 0.556 181 T N -0.197 114.351 114.554 -0.010 0.000 2.942 181 T HA 0.243 4.593 4.350 0.000 0.000 0.265 181 T C 1.369 176.063 174.700 -0.009 0.000 1.062 181 T CA 1.074 63.168 62.100 -0.010 0.000 1.139 181 T CB 0.061 68.923 68.868 -0.010 0.000 0.883 181 T HN 0.725 nan 8.240 nan 0.000 0.468 182 G N 0.606 109.401 108.800 -0.008 0.000 3.234 182 G HA2 0.530 4.490 3.960 0.000 0.000 0.159 182 G HA3 0.530 4.490 3.960 0.000 0.000 0.159 182 G C 0.160 175.056 174.900 -0.007 0.000 1.175 182 G CA -0.146 44.950 45.100 -0.007 0.000 0.900 182 G HN 0.234 nan 8.290 nan 0.000 0.621 183 L N -0.798 120.421 121.223 -0.006 0.000 2.416 183 L HA 0.396 4.736 4.340 0.000 0.000 0.216 183 L C 0.707 177.574 176.870 -0.005 0.000 1.098 183 L CA 0.560 55.397 54.840 -0.005 0.000 0.840 183 L CB -0.242 41.814 42.059 -0.005 0.000 0.981 183 L HN 0.192 nan 8.230 nan 0.000 0.462 184 Q N 1.222 121.019 119.800 -0.006 0.000 2.259 184 Q HA 0.195 4.535 4.340 0.000 0.000 0.249 184 Q C -0.803 175.193 176.000 -0.006 0.000 0.914 184 Q CA -0.308 55.491 55.803 -0.006 0.000 0.904 184 Q CB 1.093 29.828 28.738 -0.005 0.000 1.213 184 Q HN 0.228 nan 8.270 nan 0.000 0.428 185 D N 1.654 122.050 120.400 -0.006 0.000 2.339 185 D HA 0.212 4.852 4.640 0.000 0.000 0.245 185 D C -0.337 175.958 176.300 -0.007 0.000 1.115 185 D CA 0.197 54.193 54.000 -0.007 0.000 0.917 185 D CB 0.833 41.629 40.800 -0.007 0.000 1.192 185 D HN 0.283 nan 8.370 nan 0.000 0.428 186 E N 0.466 120.661 120.200 -0.008 0.000 2.278 186 E HA 0.420 4.770 4.350 0.000 0.000 0.272 186 E C -0.985 175.609 176.600 -0.009 0.000 0.890 186 E CA -0.632 55.762 56.400 -0.009 0.000 0.770 186 E CB 2.450 32.145 29.700 -0.009 0.000 1.212 186 E HN 0.205 nan 8.360 nan 0.000 0.415 187 L N 3.548 124.766 121.223 -0.009 0.000 2.325 187 L HA 0.513 4.853 4.340 0.000 0.000 0.281 187 L C -1.510 175.355 176.870 -0.008 0.000 1.004 187 L CA -0.426 54.408 54.840 -0.009 0.000 0.823 187 L CB 0.811 42.865 42.059 -0.008 0.000 1.236 187 L HN 0.523 nan 8.230 nan 0.000 0.415 188 D N 4.162 124.557 120.400 -0.009 0.000 2.732 188 D HA 0.415 5.055 4.640 0.000 0.000 0.229 188 D C -0.909 175.386 176.300 -0.008 0.000 1.152 188 D CA -0.160 53.836 54.000 -0.008 0.000 0.854 188 D CB 2.906 43.700 40.800 -0.009 0.000 1.590 188 D HN 0.313 nan 8.370 nan 0.000 0.468 189 V N -0.741 119.169 119.914 -0.007 0.000 2.398 189 V HA 0.811 4.931 4.120 0.000 0.000 0.286 189 V C -0.170 175.920 176.094 -0.005 0.000 1.026 189 V CA -0.599 61.697 62.300 -0.006 0.000 0.868 189 V CB 1.447 33.267 31.823 -0.005 0.000 0.982 189 V HN 0.325 nan 8.190 nan 0.000 0.443 190 V N 3.208 123.119 119.914 -0.005 0.000 3.049 190 V HA 0.524 4.644 4.120 0.000 0.000 0.309 190 V C 1.006 177.099 176.094 -0.002 0.000 1.148 190 V CA -0.360 61.937 62.300 -0.004 0.000 0.990 190 V CB 2.499 34.319 31.823 -0.006 0.000 1.039 190 V HN 0.928 nan 8.190 nan 0.000 0.430 191 E N 2.636 122.835 120.200 -0.001 0.000 2.333 191 E HA -0.050 4.300 4.350 0.000 0.000 0.200 191 E C 1.241 177.844 176.600 0.005 0.000 1.010 191 E CA 0.984 57.385 56.400 0.001 0.000 0.841 191 E CB -0.603 29.097 29.700 0.001 0.000 0.757 191 E HN 0.916 nan 8.360 nan 0.000 0.508 192 G N 1.114 109.910 108.800 -0.007 0.000 3.047 192 G HA2 0.044 4.004 3.960 0.000 0.000 0.374 192 G HA3 0.044 4.004 3.960 0.000 0.000 0.374 192 G C 0.259 175.158 174.900 -0.002 0.000 1.277 192 G CA 0.513 45.608 45.100 -0.009 0.000 1.153 192 G HN 0.253 nan 8.290 nan 0.000 0.711 193 M N -1.957 117.639 119.600 -0.008 0.000 2.949 193 M HA 0.535 5.015 4.480 0.000 0.000 0.270 193 M C -1.665 174.610 176.300 -0.042 0.000 1.221 193 M CA -0.757 54.547 55.300 0.007 0.000 0.818 193 M CB 1.897 34.532 32.600 0.058 0.000 1.635 193 M HN 0.765 nan 8.290 nan 0.000 0.492 194 Q N 1.710 121.492 119.800 -0.030 0.000 2.578 194 Q HA 0.657 4.997 4.340 0.000 0.000 0.284 194 Q C -2.328 173.659 176.000 -0.021 0.000 0.960 194 Q CA -0.637 55.075 55.803 -0.151 0.000 0.809 194 Q CB 2.714 31.387 28.738 -0.108 0.000 1.462 194 Q HN 0.662 nan 8.270 nan 0.000 0.392 195 F N -0.783 119.176 119.950 0.014 0.000 2.688 195 F HA 0.430 4.957 4.527 0.000 0.000 0.308 195 F C -1.548 174.264 175.800 0.020 0.000 1.117 195 F CA -1.300 56.711 58.000 0.018 0.000 0.976 195 F CB 0.717 39.730 39.000 0.021 0.000 1.291 195 F HN 0.299 nan 8.300 nan 0.000 0.439 196 D N 2.778 123.369 120.400 0.317 0.000 2.367 196 D HA 0.425 5.065 4.640 0.000 0.000 0.255 196 D C -0.417 176.042 176.300 0.265 0.000 1.300 196 D CA 0.611 54.735 54.000 0.206 0.000 0.959 196 D CB 0.296 41.173 40.800 0.129 0.000 1.064 196 D HN 0.578 nan 8.370 nan 0.000 0.509 197 R N 0.860 121.513 120.500 0.256 0.000 2.725 197 R HA 0.481 4.821 4.340 0.000 0.000 0.276 197 R C -0.262 176.109 176.300 0.119 0.000 1.189 197 R CA -0.475 55.764 56.100 0.232 0.000 1.083 197 R CB 1.228 31.790 30.300 0.438 0.000 1.262 197 R HN 0.381 nan 8.270 nan 0.000 0.415 198 G N 1.726 110.519 108.800 -0.012 0.000 2.488 198 G HA2 0.392 4.352 3.960 0.000 0.000 0.318 198 G HA3 0.392 4.352 3.960 0.000 0.000 0.318 198 G C -0.711 174.119 174.900 -0.117 0.000 1.188 198 G CA -0.563 44.432 45.100 -0.175 0.000 0.944 198 G HN 0.513 nan 8.290 nan 0.000 0.495 199 Y N -1.135 119.243 120.300 0.129 0.000 2.652 199 Y HA 0.297 4.847 4.550 0.000 0.000 0.344 199 Y C 0.548 176.511 175.900 0.104 0.000 1.254 199 Y CA -1.151 57.058 58.100 0.183 0.000 1.480 199 Y CB 0.236 38.835 38.460 0.232 0.000 1.345 199 Y HN 0.099 nan 8.280 nan 0.000 0.617 200 L N 2.276 123.718 121.223 0.364 0.000 2.783 200 L HA 0.333 4.673 4.340 0.000 0.000 0.236 200 L C 0.172 177.052 176.870 0.016 0.000 1.225 200 L CA 0.332 55.277 54.840 0.175 0.000 1.026 200 L CB -0.901 41.241 42.059 0.139 0.000 1.314 200 L HN 0.732 nan 8.230 nan 0.000 0.489 201 S N -1.554 114.164 115.700 0.029 0.000 2.546 201 S HA 0.310 4.780 4.470 0.000 0.000 0.303 201 S C -2.370 171.881 174.600 -0.581 0.000 1.067 201 S CA -0.560 57.405 58.200 -0.392 0.000 0.944 201 S CB 1.176 63.735 63.200 -1.068 0.000 1.155 201 S HN -0.111 nan 8.310 nan 0.000 0.449 202 P HA -0.054 nan 4.420 nan 0.000 0.216 202 P C 0.591 177.657 177.300 -0.390 0.000 1.150 202 P CA 1.000 63.751 63.100 -0.581 0.000 0.837 202 P CB -0.072 31.507 31.700 -0.201 0.000 0.786 203 Y N -2.551 117.545 120.300 -0.340 0.000 2.736 203 Y HA -0.114 4.436 4.550 0.000 0.000 0.298 203 Y C 1.659 177.557 175.900 -0.003 0.000 1.156 203 Y CA 0.582 58.579 58.100 -0.171 0.000 1.384 203 Y CB -1.169 37.208 38.460 -0.139 0.000 0.976 203 Y HN -0.004 nan 8.280 nan 0.000 0.556 204 F N -0.788 119.106 119.950 -0.092 0.000 2.446 204 F HA 0.148 4.675 4.527 0.000 0.000 0.292 204 F C 1.218 176.948 175.800 -0.117 0.000 1.096 204 F CA -0.960 56.990 58.000 -0.083 0.000 1.438 204 F CB -0.708 38.246 39.000 -0.077 0.000 1.107 204 F HN -0.192 nan 8.300 nan 0.000 0.546 205 I N 3.055 123.606 120.570 -0.032 0.000 2.996 205 I HA -0.233 3.937 4.170 0.000 0.000 0.311 205 I C 1.176 177.286 176.117 -0.011 0.000 1.219 205 I CA 0.714 61.981 61.300 -0.054 0.000 1.452 205 I CB 0.240 38.163 38.000 -0.129 0.000 1.319 205 I HN 0.260 nan 8.210 nan 0.000 0.564 206 N N 4.621 123.321 118.700 -0.000 0.000 2.159 206 N HA 0.037 4.777 4.740 0.000 0.000 0.217 206 N C -0.241 175.263 175.510 -0.009 0.000 1.223 206 N CA -0.182 52.867 53.050 -0.002 0.000 0.896 206 N CB 0.707 39.195 38.487 0.002 0.000 1.064 206 N HN 0.400 nan 8.380 nan 0.000 0.518 207 K N 2.091 122.486 120.400 -0.008 0.000 2.679 207 K HA 0.324 4.644 4.320 0.000 0.000 0.188 207 K C -1.842 174.751 176.600 -0.011 0.000 1.055 207 K CA -1.794 54.489 56.287 -0.007 0.000 1.006 207 K CB 2.183 34.684 32.500 0.003 0.000 1.317 207 K HN -0.017 nan 8.250 nan 0.000 0.584 208 P HA -0.240 nan 4.420 nan 0.000 0.212 208 P C 0.850 178.140 177.300 -0.016 0.000 1.174 208 P CA 1.399 64.482 63.100 -0.028 0.000 0.934 208 P CB 0.394 32.076 31.700 -0.030 0.000 0.791 209 E N -0.936 119.258 120.200 -0.010 0.000 2.455 209 E HA -0.088 4.262 4.350 0.000 0.000 0.202 209 E C 1.517 178.118 176.600 0.002 0.000 1.045 209 E CA 1.133 57.530 56.400 -0.004 0.000 0.872 209 E CB -0.549 29.149 29.700 -0.002 0.000 0.792 209 E HN 0.393 nan 8.360 nan 0.000 0.542 210 T N -1.705 112.852 114.554 0.005 0.000 2.969 210 T HA 0.202 4.552 4.350 0.000 0.000 0.250 210 T C 1.185 175.904 174.700 0.031 0.000 1.021 210 T CA 0.425 62.536 62.100 0.017 0.000 1.003 210 T CB 0.789 69.668 68.868 0.018 0.000 1.040 210 T HN 0.263 nan 8.240 nan 0.000 0.492 211 G N 1.984 110.798 108.800 0.023 0.000 2.249 211 G HA2 0.004 3.964 3.960 0.000 0.000 0.273 211 G HA3 0.004 3.964 3.960 0.000 0.000 0.273 211 G C 0.087 175.043 174.900 0.093 0.000 1.036 211 G CA 0.185 45.309 45.100 0.041 0.000 0.824 211 G HN 0.938 nan 8.290 nan 0.000 0.504 212 A N -1.362 121.497 122.820 0.065 0.000 2.430 212 A HA 0.897 5.217 4.320 0.000 0.000 0.300 212 A C -0.345 177.278 177.584 0.065 0.000 1.124 212 A CA -0.339 51.753 52.037 0.092 0.000 0.766 212 A CB 2.177 21.217 19.000 0.067 0.000 1.328 212 A HN 1.181 nan 8.150 nan 0.000 0.424 213 V N 1.978 121.945 119.914 0.088 0.000 2.284 213 V HA 0.280 4.400 4.120 0.000 0.000 0.274 213 V C -0.399 175.716 176.094 0.035 0.000 1.023 213 V CA -0.308 62.029 62.300 0.062 0.000 0.808 213 V CB 0.610 32.493 31.823 0.100 0.000 1.035 213 V HN 0.889 nan 8.190 nan 0.000 0.445 214 E N 5.326 125.535 120.200 0.015 0.000 2.200 214 E HA 0.596 4.946 4.350 0.000 0.000 0.283 214 E C -1.034 175.561 176.600 -0.008 0.000 1.015 214 E CA -0.397 56.004 56.400 0.001 0.000 0.819 214 E CB 1.813 31.511 29.700 -0.004 0.000 1.081 214 E HN 0.521 nan 8.360 nan 0.000 0.397 215 L N 2.807 124.021 121.223 -0.015 0.000 2.362 215 L HA 0.318 4.658 4.340 0.000 0.000 0.275 215 L C -0.030 176.823 176.870 -0.028 0.000 0.998 215 L CA -1.050 53.777 54.840 -0.021 0.000 0.820 215 L CB 1.683 43.728 42.059 -0.022 0.000 1.270 215 L HN 0.352 nan 8.230 nan 0.000 0.415 216 E N 2.218 122.401 120.200 -0.029 0.000 2.003 216 E HA 0.073 4.423 4.350 0.000 0.000 0.279 216 E C 0.507 177.071 176.600 -0.060 0.000 1.132 216 E CA -0.005 56.372 56.400 -0.039 0.000 0.888 216 E CB 0.866 30.547 29.700 -0.031 0.000 1.056 216 E HN 0.691 nan 8.360 nan 0.000 0.399 217 S N 1.731 117.386 115.700 -0.076 0.000 3.348 217 S HA -0.181 4.289 4.470 0.000 0.000 0.366 217 S C -2.245 172.245 174.600 -0.183 0.000 0.953 217 S CA -0.004 58.123 58.200 -0.121 0.000 1.255 217 S CB -1.757 61.367 63.200 -0.128 0.000 0.906 217 S HN 0.256 nan 8.310 nan 0.000 0.495 218 P HA 0.584 nan 4.420 nan 0.000 0.279 218 P C 0.371 177.573 177.300 -0.164 0.000 1.282 218 P CA -0.758 62.289 63.100 -0.088 0.000 0.788 218 P CB 0.312 32.017 31.700 0.009 0.000 1.139 219 F N -0.709 119.233 119.950 -0.012 0.000 2.368 219 F HA 0.444 4.971 4.527 0.000 0.000 0.315 219 F C 0.749 176.548 175.800 -0.002 0.000 1.145 219 F CA 0.029 58.025 58.000 -0.006 0.000 1.095 219 F CB 0.154 39.150 39.000 -0.006 0.000 1.286 219 F HN -0.008 nan 8.300 nan 0.000 0.530 220 I N 2.311 123.000 120.570 0.200 0.000 2.647 220 I HA 0.316 4.486 4.170 0.000 0.000 0.295 220 I C -1.341 174.841 176.117 0.109 0.000 1.078 220 I CA -0.903 60.469 61.300 0.120 0.000 1.048 220 I CB 2.151 40.201 38.000 0.083 0.000 1.239 220 I HN 0.237 nan 8.210 nan 0.000 0.421 221 L N 6.556 127.830 121.223 0.085 0.000 2.334 221 L HA 0.588 4.928 4.340 0.000 0.000 0.276 221 L C -1.156 175.750 176.870 0.059 0.000 1.014 221 L CA -0.580 54.299 54.840 0.064 0.000 0.815 221 L CB 1.788 43.877 42.059 0.050 0.000 1.268 221 L HN 0.618 nan 8.230 nan 0.000 0.428 222 L N 5.541 126.791 121.223 0.046 0.000 2.556 222 L HA 0.411 4.751 4.340 0.000 0.000 0.243 222 L C 0.588 177.472 176.870 0.025 0.000 1.331 222 L CA -0.354 54.508 54.840 0.036 0.000 0.927 222 L CB 1.031 43.110 42.059 0.034 0.000 1.219 222 L HN 0.719 nan 8.230 nan 0.000 0.490 223 A N 0.198 123.033 122.820 0.025 0.000 2.262 223 A HA 0.209 4.529 4.320 0.000 0.000 0.273 223 A C 0.491 178.082 177.584 0.012 0.000 1.202 223 A CA 0.411 52.459 52.037 0.018 0.000 0.811 223 A CB 0.381 19.395 19.000 0.022 0.000 1.159 223 A HN 0.604 nan 8.150 nan 0.000 0.505 224 D N -2.569 117.837 120.400 0.010 0.000 2.530 224 D HA 0.161 4.801 4.640 0.000 0.000 0.253 224 D C 0.067 176.372 176.300 0.009 0.000 1.338 224 D CA 0.092 54.096 54.000 0.006 0.000 0.806 224 D CB 0.017 40.819 40.800 0.003 0.000 1.160 224 D HN 0.642 nan 8.370 nan 0.000 0.514 225 K N -0.897 119.511 120.400 0.012 0.000 2.263 225 K HA 0.654 4.974 4.320 0.000 0.000 0.249 225 K C -0.898 175.714 176.600 0.019 0.000 1.076 225 K CA -1.050 55.245 56.287 0.014 0.000 0.884 225 K CB 1.173 33.681 32.500 0.013 0.000 1.394 225 K HN -0.326 nan 8.250 nan 0.000 0.476 226 K N 0.749 121.160 120.400 0.019 0.000 2.174 226 K HA 0.356 4.676 4.320 0.000 0.000 0.275 226 K C -0.554 176.060 176.600 0.023 0.000 1.015 226 K CA -0.442 55.859 56.287 0.023 0.000 0.933 226 K CB 0.646 33.158 32.500 0.021 0.000 1.025 226 K HN 0.441 nan 8.250 nan 0.000 0.463 227 I N 2.866 123.453 120.570 0.029 0.000 2.354 227 I HA 0.114 4.284 4.170 0.000 0.000 0.286 227 I C 0.822 176.956 176.117 0.028 0.000 1.007 227 I CA -0.102 61.215 61.300 0.028 0.000 1.167 227 I CB 0.646 38.667 38.000 0.034 0.000 1.320 227 I HN 0.771 nan 8.210 nan 0.000 0.458 228 S N 4.515 120.228 115.700 0.021 0.000 2.517 228 S HA 0.123 4.593 4.470 0.000 0.000 0.228 228 S C 0.799 175.409 174.600 0.016 0.000 1.060 228 S CA -0.054 58.157 58.200 0.018 0.000 0.937 228 S CB 0.150 63.358 63.200 0.013 0.000 0.840 228 S HN 0.610 nan 8.310 nan 0.000 0.546 229 N N 1.059 119.766 118.700 0.013 0.000 2.499 229 N HA 0.271 5.011 4.740 0.000 0.000 0.281 229 N C 0.440 175.957 175.510 0.012 0.000 1.098 229 N CA -0.214 52.842 53.050 0.010 0.000 0.979 229 N CB 1.071 39.562 38.487 0.007 0.000 1.121 229 N HN 0.166 nan 8.380 nan 0.000 0.466 230 I N 3.257 123.834 120.570 0.011 0.000 2.493 230 I HA -0.109 4.061 4.170 0.000 0.000 0.254 230 I C 2.424 178.544 176.117 0.006 0.000 1.160 230 I CA 0.498 61.805 61.300 0.011 0.000 1.445 230 I CB -0.591 37.415 38.000 0.010 0.000 1.086 230 I HN 0.617 nan 8.210 nan 0.000 0.433 231 R N 1.623 122.125 120.500 0.003 0.000 2.222 231 R HA -0.359 3.981 4.340 0.000 0.000 0.235 231 R C 2.160 178.459 176.300 -0.001 0.000 1.112 231 R CA 2.789 58.889 56.100 0.000 0.000 0.897 231 R CB -0.440 29.860 30.300 0.001 0.000 0.882 231 R HN 0.318 nan 8.270 nan 0.000 0.429 232 E N -0.036 120.164 120.200 0.000 0.000 2.233 232 E HA -0.278 4.072 4.350 0.000 0.000 0.210 232 E C 1.877 178.474 176.600 -0.005 0.000 1.046 232 E CA 2.391 58.790 56.400 -0.001 0.000 0.844 232 E CB -0.314 29.387 29.700 0.003 0.000 0.741 232 E HN 0.369 nan 8.360 nan 0.000 0.465 233 M N -0.318 119.279 119.600 -0.004 0.000 2.099 233 M HA -0.017 4.463 4.480 0.000 0.000 0.262 233 M C 1.965 178.254 176.300 -0.019 0.000 1.067 233 M CA 1.187 56.480 55.300 -0.010 0.000 1.124 233 M CB -0.610 31.987 32.600 -0.005 0.000 1.353 233 M HN 0.071 nan 8.290 nan 0.000 0.410 234 L N 0.012 121.226 121.223 -0.015 0.000 2.166 234 L HA -0.329 4.011 4.340 0.000 0.000 0.228 234 L C -0.425 176.428 176.870 -0.027 0.000 1.101 234 L CA 2.042 56.870 54.840 -0.019 0.000 0.821 234 L CB -2.848 39.203 42.059 -0.013 0.000 0.908 234 L HN 0.258 nan 8.230 nan 0.000 0.447 235 P HA -0.162 nan 4.420 nan 0.000 0.210 235 P C 1.829 179.098 177.300 -0.052 0.000 1.189 235 P CA 2.523 65.602 63.100 -0.034 0.000 0.920 235 P CB -0.317 31.366 31.700 -0.028 0.000 0.782 236 V N -1.725 118.155 119.914 -0.056 0.000 2.295 236 V HA -0.191 3.929 4.120 0.000 0.000 0.246 236 V C 2.696 178.731 176.094 -0.099 0.000 1.049 236 V CA 1.728 63.977 62.300 -0.086 0.000 1.024 236 V CB -2.227 29.554 31.823 -0.071 0.000 0.648 236 V HN -0.088 nan 8.190 nan 0.000 0.447 237 L N 1.121 122.304 121.223 -0.066 0.000 2.189 237 L HA -0.180 4.160 4.340 0.000 0.000 0.214 237 L C 2.511 179.342 176.870 -0.065 0.000 1.097 237 L CA 2.538 57.343 54.840 -0.059 0.000 0.764 237 L CB -0.799 41.239 42.059 -0.034 0.000 0.900 237 L HN 0.687 nan 8.230 nan 0.000 0.436 238 E N -1.493 118.668 120.200 -0.065 0.000 2.276 238 E HA -0.038 4.312 4.350 0.000 0.000 0.193 238 E C 2.061 178.611 176.600 -0.083 0.000 0.983 238 E CA 0.620 56.984 56.400 -0.059 0.000 0.861 238 E CB 0.057 29.730 29.700 -0.044 0.000 0.817 238 E HN 0.544 nan 8.360 nan 0.000 0.485 239 A N 1.118 123.868 122.820 -0.115 0.000 1.873 239 A HA -0.122 4.198 4.320 0.000 0.000 0.215 239 A C 2.313 179.759 177.584 -0.229 0.000 1.186 239 A CA 1.585 53.527 52.037 -0.158 0.000 0.616 239 A CB -0.841 18.048 19.000 -0.184 0.000 0.823 239 A HN 0.298 nan 8.150 nan 0.000 0.442 240 V N -3.028 116.713 119.914 -0.288 0.000 3.380 240 V HA 0.251 4.371 4.120 0.000 0.000 0.268 240 V C 2.102 178.122 176.094 -0.123 0.000 1.168 240 V CA 1.293 63.391 62.300 -0.336 0.000 1.156 240 V CB -1.032 30.601 31.823 -0.317 0.000 0.785 240 V HN 0.487 nan 8.190 nan 0.000 0.487 241 A N 0.997 123.761 122.820 -0.093 0.000 1.861 241 A HA 0.049 4.369 4.320 0.000 0.000 0.212 241 A C 2.238 179.804 177.584 -0.030 0.000 1.199 241 A CA 1.362 53.373 52.037 -0.044 0.000 0.613 241 A CB -0.353 18.623 19.000 -0.040 0.000 0.846 241 A HN 0.511 nan 8.150 nan 0.000 0.446 242 K N -0.042 120.333 120.400 -0.042 0.000 2.459 242 K HA 0.200 4.520 4.320 0.000 0.000 0.193 242 K C 1.607 178.200 176.600 -0.012 0.000 1.030 242 K CA 0.558 56.831 56.287 -0.024 0.000 1.026 242 K CB -0.015 32.468 32.500 -0.029 0.000 0.809 242 K HN 0.418 nan 8.250 nan 0.000 0.504 243 A N 0.649 123.454 122.820 -0.024 0.000 2.178 243 A HA 0.161 4.481 4.320 0.000 0.000 0.211 243 A C 1.520 179.165 177.584 0.102 0.000 1.157 243 A CA 0.714 52.772 52.037 0.036 0.000 0.780 243 A CB -0.294 18.674 19.000 -0.053 0.000 0.828 243 A HN 0.351 nan 8.150 nan 0.000 0.476 244 G N -0.408 108.428 108.800 0.060 0.000 2.203 244 G HA2 -0.298 3.662 3.960 0.000 0.000 0.263 244 G HA3 -0.298 3.662 3.960 0.000 0.000 0.263 244 G C 0.163 175.121 174.900 0.097 0.000 1.012 244 G CA 1.095 46.232 45.100 0.062 0.000 0.749 244 G HN 0.624 nan 8.290 nan 0.000 0.512 245 K N -0.141 120.364 120.400 0.176 0.000 2.340 245 K HA 0.570 4.890 4.320 0.000 0.000 0.244 245 K C -2.533 174.178 176.600 0.186 0.000 0.973 245 K CA -2.257 54.153 56.287 0.205 0.000 0.828 245 K CB 2.029 34.734 32.500 0.341 0.000 1.226 245 K HN -0.037 nan 8.250 nan 0.000 0.437 246 P HA 0.172 nan 4.420 nan 0.000 0.275 246 P C -1.256 176.131 177.300 0.145 0.000 1.266 246 P CA -0.631 62.515 63.100 0.076 0.000 0.793 246 P CB 0.524 32.238 31.700 0.022 0.000 1.074 247 L N 0.780 122.048 121.223 0.074 0.000 2.472 247 L HA 0.506 4.846 4.340 0.000 0.000 0.260 247 L C -1.927 174.959 176.870 0.028 0.000 0.963 247 L CA -0.808 54.092 54.840 0.100 0.000 0.829 247 L CB 1.798 43.902 42.059 0.074 0.000 1.348 247 L HN 0.281 nan 8.230 nan 0.000 0.408 248 L N 4.917 126.171 121.223 0.052 0.000 2.342 248 L HA 0.644 4.984 4.340 0.000 0.000 0.271 248 L C -1.005 175.898 176.870 0.054 0.000 1.008 248 L CA -0.562 54.298 54.840 0.033 0.000 0.818 248 L CB 2.080 44.165 42.059 0.043 0.000 1.296 248 L HN 0.663 nan 8.230 nan 0.000 0.427 249 I N 4.553 125.158 120.570 0.057 0.000 2.646 249 I HA 0.496 4.666 4.170 0.000 0.000 0.299 249 I C -0.698 175.479 176.117 0.101 0.000 1.036 249 I CA -0.671 60.671 61.300 0.071 0.000 1.074 249 I CB 2.541 40.577 38.000 0.060 0.000 1.258 249 I HN 0.449 nan 8.210 nan 0.000 0.430 250 I N 4.547 125.170 120.570 0.088 0.000 2.563 250 I HA 0.701 4.871 4.170 0.000 0.000 0.285 250 I C -0.414 175.731 176.117 0.047 0.000 1.123 250 I CA -0.114 61.237 61.300 0.086 0.000 1.059 250 I CB 1.777 39.837 38.000 0.100 0.000 1.229 250 I HN 0.778 nan 8.210 nan 0.000 0.442 251 A N 4.556 127.400 122.820 0.040 0.000 2.493 251 A HA 0.535 4.855 4.320 0.000 0.000 0.300 251 A C 0.508 178.106 177.584 0.022 0.000 1.152 251 A CA -0.489 51.562 52.037 0.024 0.000 0.643 251 A CB 0.952 19.971 19.000 0.031 0.000 1.316 251 A HN 0.500 nan 8.150 nan 0.000 0.469 252 E N 0.450 120.662 120.200 0.020 0.000 2.072 252 E HA -0.186 4.164 4.350 0.000 0.000 0.218 252 E C 0.143 176.762 176.600 0.030 0.000 1.051 252 E CA 2.184 58.597 56.400 0.023 0.000 0.880 252 E CB 0.023 29.736 29.700 0.023 0.000 0.783 252 E HN 0.635 nan 8.360 nan 0.000 0.473 253 D N -2.527 117.895 120.400 0.037 0.000 3.010 253 D HA 0.216 4.856 4.640 0.000 0.000 0.353 253 D C -1.636 174.695 176.300 0.051 0.000 1.415 253 D CA -0.395 53.633 54.000 0.046 0.000 0.864 253 D CB 1.359 42.180 40.800 0.036 0.000 1.445 253 D HN -0.138 nan 8.370 nan 0.000 0.516 254 V N 1.595 121.542 119.914 0.055 0.000 2.577 254 V HA 0.285 4.405 4.120 0.000 0.000 0.294 254 V C -0.885 175.235 176.094 0.043 0.000 1.052 254 V CA -0.744 61.590 62.300 0.056 0.000 0.891 254 V CB 1.586 33.460 31.823 0.084 0.000 1.017 254 V HN 0.383 nan 8.190 nan 0.000 0.436 255 E N 2.376 122.594 120.200 0.030 0.000 2.354 255 E HA 0.436 4.786 4.350 0.000 0.000 0.269 255 E C 1.454 178.063 176.600 0.016 0.000 1.036 255 E CA 0.673 57.084 56.400 0.019 0.000 0.876 255 E CB 1.280 30.988 29.700 0.013 0.000 1.009 255 E HN 0.713 nan 8.360 nan 0.000 0.416 256 G N 2.689 111.491 108.800 0.004 0.000 2.663 256 G HA2 -0.465 3.495 3.960 0.000 0.000 0.222 256 G HA3 -0.465 3.495 3.960 0.000 0.000 0.222 256 G C 1.312 176.212 174.900 0.000 0.000 1.146 256 G CA 1.524 46.620 45.100 -0.007 0.000 0.764 256 G HN 0.733 nan 8.290 nan 0.000 0.608 257 E N 0.392 120.593 120.200 0.002 0.000 2.082 257 E HA -0.260 4.090 4.350 0.000 0.000 0.215 257 E C 2.656 179.262 176.600 0.011 0.000 1.048 257 E CA 1.969 58.371 56.400 0.004 0.000 0.869 257 E CB -0.405 29.298 29.700 0.005 0.000 0.773 257 E HN 0.442 nan 8.360 nan 0.000 0.466 258 A N 0.455 123.287 122.820 0.020 0.000 1.943 258 A HA 0.056 4.376 4.320 0.000 0.000 0.213 258 A C 2.122 179.734 177.584 0.047 0.000 1.181 258 A CA 0.600 52.654 52.037 0.030 0.000 0.653 258 A CB -0.441 18.578 19.000 0.032 0.000 0.833 258 A HN 0.410 nan 8.150 nan 0.000 0.451 259 L N -0.215 121.036 121.223 0.048 0.000 1.937 259 L HA -0.096 4.244 4.340 0.000 0.000 0.213 259 L C 2.826 179.723 176.870 0.045 0.000 1.077 259 L CA 1.676 56.557 54.840 0.068 0.000 0.758 259 L CB -0.579 41.507 42.059 0.045 0.000 0.888 259 L HN 0.357 nan 8.230 nan 0.000 0.433 260 A N -0.287 122.530 122.820 -0.005 0.000 1.954 260 A HA -0.363 3.957 4.320 0.000 0.000 0.222 260 A C 2.296 179.870 177.584 -0.016 0.000 1.199 260 A CA 3.172 55.183 52.037 -0.042 0.000 0.657 260 A CB -1.651 17.317 19.000 -0.053 0.000 0.823 260 A HN 0.756 nan 8.150 nan 0.000 0.463 261 T N -1.445 113.115 114.554 0.010 0.000 2.684 261 T HA -0.143 4.207 4.350 0.000 0.000 0.267 261 T C 1.839 176.566 174.700 0.046 0.000 1.036 261 T CA 1.527 63.639 62.100 0.019 0.000 1.148 261 T CB -0.712 68.168 68.868 0.019 0.000 0.863 261 T HN 0.345 nan 8.240 nan 0.000 0.436 262 L N 0.867 122.140 121.223 0.083 0.000 1.989 262 L HA -0.105 4.235 4.340 0.000 0.000 0.211 262 L C 3.017 180.007 176.870 0.200 0.000 1.071 262 L CA 1.215 56.132 54.840 0.128 0.000 0.749 262 L CB -0.989 41.175 42.059 0.173 0.000 0.890 262 L HN 0.168 nan 8.230 nan 0.000 0.431 263 V N -0.185 119.870 119.914 0.236 0.000 2.236 263 V HA -0.365 3.755 4.120 0.000 0.000 0.255 263 V C 2.417 178.585 176.094 0.123 0.000 1.068 263 V CA 2.306 64.721 62.300 0.193 0.000 1.044 263 V CB -0.710 31.052 31.823 -0.102 0.000 0.653 263 V HN 0.250 nan 8.190 nan 0.000 0.448 264 V N 0.450 120.388 119.914 0.040 0.000 2.270 264 V HA -0.266 3.854 4.120 0.000 0.000 0.245 264 V C 2.420 178.547 176.094 0.055 0.000 1.043 264 V CA 2.176 64.495 62.300 0.031 0.000 1.014 264 V CB -1.102 30.721 31.823 0.001 0.000 0.645 264 V HN 0.693 nan 8.190 nan 0.000 0.447 265 N N 0.848 119.580 118.700 0.053 0.000 2.187 265 N HA -0.261 4.479 4.740 0.000 0.000 0.194 265 N C 1.798 177.336 175.510 0.047 0.000 1.002 265 N CA 2.726 55.801 53.050 0.043 0.000 0.882 265 N CB -0.061 38.449 38.487 0.039 0.000 1.003 265 N HN 0.750 nan 8.380 nan 0.000 0.443 266 T N -1.661 112.940 114.554 0.078 0.000 2.988 266 T HA 0.079 4.429 4.350 0.000 0.000 0.240 266 T C 1.414 176.167 174.700 0.088 0.000 1.014 266 T CA 0.230 62.374 62.100 0.072 0.000 1.155 266 T CB -0.506 68.409 68.868 0.079 0.000 0.872 266 T HN 0.283 nan 8.240 nan 0.000 0.440 267 M N 1.884 121.562 119.600 0.129 0.000 2.921 267 M HA 0.563 5.043 4.480 0.000 0.000 0.319 267 M C 0.543 176.891 176.300 0.079 0.000 1.710 267 M CA 0.552 55.926 55.300 0.124 0.000 1.471 267 M CB -1.157 31.553 32.600 0.184 0.000 1.832 267 M HN 0.538 nan 8.290 nan 0.000 0.467 268 R N 1.062 121.596 120.500 0.057 0.000 3.125 268 R HA 0.082 4.422 4.340 0.000 0.000 0.258 268 R C -0.322 175.998 176.300 0.034 0.000 0.968 268 R CA 0.845 56.968 56.100 0.039 0.000 0.656 268 R CB -3.058 27.265 30.300 0.039 0.000 1.251 268 R HN 1.656 nan 8.270 nan 0.000 0.428 269 G N -1.069 107.749 108.800 0.031 0.000 2.690 269 G HA2 0.706 4.666 3.960 0.000 0.000 0.291 269 G HA3 0.706 4.666 3.960 0.000 0.000 0.291 269 G C 0.928 175.837 174.900 0.016 0.000 1.403 269 G CA -0.276 44.839 45.100 0.024 0.000 0.864 269 G HN 0.506 nan 8.290 nan 0.000 0.480 270 I N -0.250 120.326 120.570 0.010 0.000 2.126 270 I HA -0.144 4.026 4.170 0.000 0.000 0.200 270 I C 1.076 177.195 176.117 0.003 0.000 1.014 270 I CA 0.948 62.251 61.300 0.005 0.000 1.339 270 I CB -0.414 37.587 38.000 0.002 0.000 1.086 270 I HN 0.050 nan 8.210 nan 0.000 0.393 271 V N 2.428 122.341 119.914 -0.002 0.000 2.450 271 V HA -0.014 4.106 4.120 0.000 0.000 0.281 271 V C 0.220 176.307 176.094 -0.011 0.000 1.019 271 V CA 0.114 62.410 62.300 -0.007 0.000 1.062 271 V CB 0.148 31.962 31.823 -0.015 0.000 0.979 271 V HN 0.266 nan 8.190 nan 0.000 0.477 272 K N 4.944 125.335 120.400 -0.015 0.000 2.293 272 K HA 0.663 4.983 4.320 0.000 0.000 0.267 272 K C -0.614 175.946 176.600 -0.067 0.000 1.010 272 K CA -0.423 55.846 56.287 -0.030 0.000 0.875 272 K CB 1.361 33.853 32.500 -0.013 0.000 1.106 272 K HN 0.665 nan 8.250 nan 0.000 0.450 273 V N -0.321 119.511 119.914 -0.136 0.000 3.112 273 V HA 0.990 5.110 4.120 0.000 0.000 0.310 273 V C -1.395 174.396 176.094 -0.505 0.000 1.364 273 V CA -0.828 61.347 62.300 -0.207 0.000 1.058 273 V CB 1.448 33.195 31.823 -0.127 0.000 1.079 273 V HN 0.782 nan 8.190 nan 0.000 0.463 274 A N -0.498 122.008 122.820 -0.524 0.000 2.599 274 A HA 1.107 5.427 4.320 0.000 0.000 0.290 274 A C -0.593 176.817 177.584 -0.289 0.000 1.101 274 A CA -0.325 51.144 52.037 -0.946 0.000 0.674 274 A CB 1.148 19.557 19.000 -0.985 0.000 1.277 274 A HN 2.793 nan 8.150 nan 0.000 0.419 275 A N -0.706 122.111 122.820 -0.004 0.000 2.594 275 A HA 0.878 5.198 4.320 0.000 0.000 0.295 275 A C -0.828 176.921 177.584 0.275 0.000 1.071 275 A CA 0.022 52.153 52.037 0.157 0.000 0.685 275 A CB 1.194 20.279 19.000 0.142 0.000 1.285 275 A HN 2.392 nan 8.150 nan 0.000 0.405 276 V N -1.316 118.729 119.914 0.219 0.000 3.049 276 V HA 0.670 4.790 4.120 0.000 0.000 0.309 276 V C -0.414 175.785 176.094 0.175 0.000 1.148 276 V CA -1.268 61.167 62.300 0.225 0.000 0.990 276 V CB 1.386 33.368 31.823 0.264 0.000 1.039 276 V HN 0.948 nan 8.190 nan 0.000 0.430 277 K N 1.685 122.166 120.400 0.135 0.000 2.344 277 K HA 0.580 4.900 4.320 0.000 0.000 0.260 277 K C 0.383 176.986 176.600 0.006 0.000 0.988 277 K CA 0.522 56.851 56.287 0.070 0.000 0.909 277 K CB 0.571 33.102 32.500 0.051 0.000 0.968 277 K HN 1.139 nan 8.250 nan 0.000 0.505 278 A N 3.013 125.796 122.820 -0.061 0.000 2.316 278 A HA 0.352 4.672 4.320 0.000 0.000 0.284 278 A C -2.109 175.320 177.584 -0.257 0.000 1.115 278 A CA -1.481 50.436 52.037 -0.201 0.000 0.812 278 A CB -0.009 18.918 19.000 -0.122 0.000 1.064 278 A HN 0.498 nan 8.150 nan 0.000 0.489 279 P HA 0.366 nan 4.420 nan 0.000 0.272 279 P C 0.549 177.773 177.300 -0.127 0.000 1.240 279 P CA 1.194 64.090 63.100 -0.339 0.000 0.791 279 P CB 0.452 31.823 31.700 -0.548 0.000 0.978 280 G N 0.858 109.661 108.800 0.005 0.000 2.901 280 G HA2 -0.067 3.893 3.960 0.000 0.000 0.654 280 G HA3 -0.067 3.893 3.960 0.000 0.000 0.654 280 G C -0.820 174.181 174.900 0.169 0.000 1.550 280 G CA -0.222 44.916 45.100 0.065 0.000 0.978 280 G HN 0.656 nan 8.290 nan 0.000 0.566 281 F N -0.295 119.638 119.950 -0.028 0.000 2.565 281 F HA 0.835 5.362 4.527 0.000 0.000 0.313 281 F C 0.942 176.737 175.800 -0.008 0.000 1.091 281 F CA -0.303 57.686 58.000 -0.017 0.000 0.915 281 F CB 1.242 40.240 39.000 -0.003 0.000 1.208 281 F HN 2.316 nan 8.300 nan 0.000 0.453 282 G N 2.311 111.151 108.800 0.066 0.000 2.527 282 G HA2 -0.313 3.647 3.960 0.000 0.000 0.268 282 G HA3 -0.313 3.647 3.960 0.000 0.000 0.268 282 G C 0.494 175.354 174.900 -0.068 0.000 1.175 282 G CA 0.424 45.522 45.100 -0.003 0.000 0.962 282 G HN 0.762 nan 8.290 nan 0.000 0.560 283 D N 0.397 120.745 120.400 -0.088 0.000 2.172 283 D HA -0.136 4.504 4.640 0.000 0.000 0.196 283 D C 2.434 178.666 176.300 -0.114 0.000 0.999 283 D CA 1.700 55.649 54.000 -0.085 0.000 0.856 283 D CB -0.135 40.617 40.800 -0.081 0.000 0.934 283 D HN 0.320 nan 8.370 nan 0.000 0.453 284 R N 1.065 121.455 120.500 -0.183 0.000 2.103 284 R HA -0.154 4.186 4.340 0.000 0.000 0.234 284 R C 2.379 178.602 176.300 -0.130 0.000 1.132 284 R CA 1.860 57.844 56.100 -0.192 0.000 0.925 284 R CB -0.518 29.600 30.300 -0.303 0.000 0.842 284 R HN 0.317 nan 8.270 nan 0.000 0.430 285 R N 0.806 121.242 120.500 -0.108 0.000 2.153 285 R HA -0.212 4.128 4.340 0.000 0.000 0.252 285 R C 1.634 177.893 176.300 -0.068 0.000 1.158 285 R CA 1.672 57.725 56.100 -0.078 0.000 0.975 285 R CB -0.518 29.756 30.300 -0.043 0.000 0.871 285 R HN 0.034 nan 8.270 nan 0.000 0.450 286 K N 1.046 121.411 120.400 -0.058 0.000 1.998 286 K HA -0.232 4.088 4.320 0.000 0.000 0.228 286 K C 2.306 178.879 176.600 -0.045 0.000 1.053 286 K CA 2.189 58.449 56.287 -0.045 0.000 0.988 286 K CB -0.950 31.524 32.500 -0.043 0.000 0.735 286 K HN 0.412 nan 8.250 nan 0.000 0.448 287 A N 1.745 124.533 122.820 -0.052 0.000 1.858 287 A HA -0.183 4.137 4.320 0.000 0.000 0.216 287 A C 2.290 179.846 177.584 -0.047 0.000 1.190 287 A CA 2.038 54.048 52.037 -0.046 0.000 0.617 287 A CB -0.455 18.514 19.000 -0.052 0.000 0.827 287 A HN 0.251 nan 8.150 nan 0.000 0.443 288 M N -1.258 118.303 119.600 -0.064 0.000 3.092 288 M HA -0.295 4.185 4.480 0.000 0.000 0.270 288 M C 2.219 178.482 176.300 -0.061 0.000 1.042 288 M CA 2.295 57.551 55.300 -0.073 0.000 1.052 288 M CB -1.541 30.995 32.600 -0.106 0.000 1.250 288 M HN 0.478 nan 8.290 nan 0.000 0.529 289 L N 0.506 121.689 121.223 -0.067 0.000 2.013 289 L HA -0.253 4.087 4.340 0.000 0.000 0.212 289 L C 2.596 179.456 176.870 -0.015 0.000 1.073 289 L CA 2.322 57.135 54.840 -0.045 0.000 0.753 289 L CB -0.994 41.041 42.059 -0.039 0.000 0.890 289 L HN 0.416 nan 8.230 nan 0.000 0.432 290 Q N 0.018 119.808 119.800 -0.017 0.000 2.062 290 Q HA -0.280 4.060 4.340 0.000 0.000 0.209 290 Q C 1.777 177.777 176.000 -0.001 0.000 0.996 290 Q CA 2.539 58.338 55.803 -0.008 0.000 0.859 290 Q CB -0.658 28.072 28.738 -0.013 0.000 0.920 290 Q HN 0.649 nan 8.270 nan 0.000 0.415 291 D N -0.163 120.234 120.400 -0.005 0.000 2.154 291 D HA -0.217 4.423 4.640 0.000 0.000 0.190 291 D C 1.858 178.171 176.300 0.021 0.000 1.003 291 D CA 2.021 56.024 54.000 0.005 0.000 0.849 291 D CB -0.348 40.454 40.800 0.002 0.000 0.942 291 D HN 0.389 nan 8.370 nan 0.000 0.446 292 I N 0.799 121.389 120.570 0.032 0.000 2.127 292 I HA -0.333 3.837 4.170 0.000 0.000 0.241 292 I C 2.492 178.635 176.117 0.043 0.000 1.075 292 I CA 1.179 62.513 61.300 0.057 0.000 1.334 292 I CB -0.463 37.588 38.000 0.084 0.000 1.040 292 I HN 0.003 nan 8.210 nan 0.000 0.405 293 A N 0.837 123.676 122.820 0.032 0.000 1.870 293 A HA -0.317 4.003 4.320 0.000 0.000 0.219 293 A C 2.378 179.976 177.584 0.023 0.000 1.224 293 A CA 3.120 55.173 52.037 0.028 0.000 0.650 293 A CB -1.455 17.557 19.000 0.019 0.000 0.836 293 A HN 0.439 nan 8.150 nan 0.000 0.454 294 T N 0.042 114.606 114.554 0.017 0.000 2.592 294 T HA -0.265 4.085 4.350 0.000 0.000 0.267 294 T C 1.836 176.545 174.700 0.014 0.000 1.060 294 T CA 1.920 64.028 62.100 0.013 0.000 1.167 294 T CB -0.646 68.227 68.868 0.009 0.000 0.863 294 T HN 0.419 nan 8.240 nan 0.000 0.431 295 L N 1.591 122.824 121.223 0.018 0.000 2.042 295 L HA -0.119 4.221 4.340 0.000 0.000 0.210 295 L C 2.598 179.476 176.870 0.014 0.000 1.076 295 L CA 2.581 57.430 54.840 0.016 0.000 0.749 295 L CB -1.323 40.750 42.059 0.024 0.000 0.893 295 L HN 0.529 nan 8.230 nan 0.000 0.432 296 T N -3.648 110.919 114.554 0.021 0.000 3.088 296 T HA 0.232 4.582 4.350 0.000 0.000 0.259 296 T C 1.439 176.148 174.700 0.016 0.000 1.122 296 T CA 0.411 62.522 62.100 0.017 0.000 1.095 296 T CB -0.577 68.310 68.868 0.031 0.000 0.930 296 T HN 0.791 nan 8.240 nan 0.000 0.508 297 G N 0.650 109.461 108.800 0.017 0.000 2.221 297 G HA2 0.014 3.974 3.960 0.000 0.000 0.265 297 G HA3 0.014 3.974 3.960 0.000 0.000 0.265 297 G C 0.296 175.212 174.900 0.027 0.000 1.041 297 G CA -0.101 45.010 45.100 0.017 0.000 0.807 297 G HN 1.051 nan 8.290 nan 0.000 0.502 298 G N -1.591 107.228 108.800 0.032 0.000 2.552 298 G HA2 0.733 4.693 3.960 0.000 0.000 0.324 298 G HA3 0.733 4.693 3.960 0.000 0.000 0.324 298 G C -0.270 174.649 174.900 0.032 0.000 1.217 298 G CA 0.147 45.271 45.100 0.041 0.000 0.989 298 G HN 0.514 nan 8.290 nan 0.000 0.490 299 T N 0.267 114.841 114.554 0.032 0.000 2.829 299 T HA 0.446 4.796 4.350 0.000 0.000 0.282 299 T C 0.280 174.993 174.700 0.021 0.000 0.990 299 T CA -0.286 61.828 62.100 0.023 0.000 1.028 299 T CB 1.392 70.272 68.868 0.020 0.000 0.951 299 T HN 0.769 nan 8.240 nan 0.000 0.460 300 V N 1.724 121.647 119.914 0.015 0.000 2.385 300 V HA 0.507 4.627 4.120 0.000 0.000 0.269 300 V C -0.205 175.895 176.094 0.009 0.000 1.043 300 V CA -0.927 61.380 62.300 0.012 0.000 0.906 300 V CB -0.172 31.655 31.823 0.007 0.000 0.995 300 V HN 0.647 nan 8.190 nan 0.000 0.467 301 I N 4.906 125.482 120.570 0.010 0.000 2.311 301 I HA 0.248 4.418 4.170 0.000 0.000 0.297 301 I C 0.821 176.942 176.117 0.006 0.000 1.131 301 I CA 0.935 62.240 61.300 0.008 0.000 1.289 301 I CB 0.178 38.184 38.000 0.009 0.000 1.446 301 I HN 0.681 nan 8.210 nan 0.000 0.524 302 S N 5.743 121.445 115.700 0.004 0.000 2.429 302 S HA 0.278 4.748 4.470 0.000 0.000 0.302 302 S C 1.055 175.657 174.600 0.003 0.000 1.115 302 S CA -0.716 57.486 58.200 0.002 0.000 1.095 302 S CB 1.385 64.585 63.200 0.000 0.000 0.987 302 S HN 0.464 nan 8.310 nan 0.000 0.474 303 E N 2.264 122.466 120.200 0.003 0.000 2.268 303 E HA -0.116 4.234 4.350 0.000 0.000 0.195 303 E C 0.518 177.119 176.600 0.002 0.000 0.995 303 E CA 0.785 57.187 56.400 0.003 0.000 0.836 303 E CB 0.003 29.706 29.700 0.005 0.000 0.763 303 E HN 0.719 nan 8.360 nan 0.000 0.491 304 E N 0.154 120.355 120.200 0.002 0.000 2.382 304 E HA 0.052 4.402 4.350 0.000 0.000 0.190 304 E C 0.992 177.592 176.600 0.000 0.000 1.125 304 E CA 0.060 56.461 56.400 0.001 0.000 0.929 304 E CB 0.042 29.742 29.700 -0.000 0.000 1.053 304 E HN 0.264 nan 8.360 nan 0.000 0.475 305 I N -2.103 118.468 120.570 0.001 0.000 4.765 305 I HA 0.160 4.330 4.170 0.000 0.000 0.349 305 I C 1.331 177.448 176.117 0.001 0.000 1.278 305 I CA 0.046 61.346 61.300 0.001 0.000 1.331 305 I CB 1.147 39.148 38.000 0.001 0.000 1.570 305 I HN 0.235 nan 8.210 nan 0.000 0.538 306 G N 2.020 110.820 108.800 0.001 0.000 2.284 306 G HA2 -0.302 3.658 3.960 0.000 0.000 0.247 306 G HA3 -0.302 3.658 3.960 0.000 0.000 0.247 306 G C 0.483 175.384 174.900 0.001 0.000 1.012 306 G CA 0.039 45.139 45.100 0.001 0.000 0.618 306 G HN 0.259 nan 8.290 nan 0.000 0.521 307 M N 1.224 120.825 119.600 0.002 0.000 2.261 307 M HA 0.344 4.824 4.480 0.000 0.000 0.350 307 M C 0.550 176.852 176.300 0.002 0.000 1.343 307 M CA 1.005 56.306 55.300 0.002 0.000 1.003 307 M CB 0.456 33.058 32.600 0.002 0.000 1.848 307 M HN 0.416 nan 8.290 nan 0.000 0.456 308 E N 2.211 122.412 120.200 0.001 0.000 2.355 308 E HA 0.370 4.720 4.350 0.000 0.000 0.261 308 E C 0.141 176.742 176.600 0.001 0.000 0.943 308 E CA -0.679 55.722 56.400 0.002 0.000 0.806 308 E CB 1.486 31.187 29.700 0.001 0.000 1.286 308 E HN 0.733 nan 8.360 nan 0.000 0.424 309 L N 0.820 122.044 121.223 0.001 0.000 2.044 309 L HA -0.081 4.259 4.340 0.000 0.000 0.205 309 L C 2.145 179.012 176.870 -0.005 0.000 1.075 309 L CA 1.080 55.920 54.840 -0.001 0.000 0.747 309 L CB -0.423 41.637 42.059 0.002 0.000 0.903 309 L HN 0.623 nan 8.230 nan 0.000 0.435 310 E N 0.573 120.770 120.200 -0.005 0.000 2.219 310 E HA -0.195 4.155 4.350 0.000 0.000 0.198 310 E C 0.440 177.035 176.600 -0.009 0.000 0.998 310 E CA 0.997 57.392 56.400 -0.008 0.000 0.818 310 E CB -0.038 29.659 29.700 -0.006 0.000 0.741 310 E HN 0.220 nan 8.360 nan 0.000 0.477 311 K N 0.722 121.118 120.400 -0.006 0.000 2.502 311 K HA 0.347 4.667 4.320 0.000 0.000 0.244 311 K C -1.021 175.576 176.600 -0.006 0.000 1.249 311 K CA -0.061 56.223 56.287 -0.006 0.000 1.193 311 K CB 1.104 33.602 32.500 -0.003 0.000 1.674 311 K HN 0.061 nan 8.250 nan 0.000 0.302 312 A N 0.346 123.159 122.820 -0.011 0.000 2.547 312 A HA 0.614 4.934 4.320 0.000 0.000 0.298 312 A C -0.724 176.847 177.584 -0.023 0.000 1.062 312 A CA -0.749 51.280 52.037 -0.012 0.000 0.748 312 A CB 1.166 20.161 19.000 -0.009 0.000 1.288 312 A HN 0.246 nan 8.150 nan 0.000 0.396 313 T N 2.068 116.610 114.554 -0.021 0.000 2.916 313 T HA 0.469 4.819 4.350 0.000 0.000 0.292 313 T C 1.247 175.929 174.700 -0.030 0.000 1.055 313 T CA -0.572 61.508 62.100 -0.033 0.000 1.009 313 T CB 1.097 69.951 68.868 -0.024 0.000 1.118 313 T HN 0.500 nan 8.240 nan 0.000 0.497 314 L N 1.288 122.475 121.223 -0.059 0.000 2.085 314 L HA -0.240 4.100 4.340 0.000 0.000 0.218 314 L C 2.559 179.457 176.870 0.047 0.000 1.080 314 L CA 1.988 56.804 54.840 -0.040 0.000 0.776 314 L CB -1.179 40.834 42.059 -0.075 0.000 0.891 314 L HN 0.878 nan 8.230 nan 0.000 0.437 315 E N -0.976 119.244 120.200 0.033 0.000 2.448 315 E HA -0.246 4.104 4.350 0.000 0.000 0.203 315 E C 0.770 177.395 176.600 0.041 0.000 1.046 315 E CA 1.482 57.907 56.400 0.041 0.000 0.871 315 E CB -0.401 29.313 29.700 0.024 0.000 0.790 315 E HN 0.621 nan 8.360 nan 0.000 0.545 316 D N 0.064 120.486 120.400 0.037 0.000 2.417 316 D HA 0.100 4.740 4.640 0.000 0.000 0.207 316 D C 0.118 176.450 176.300 0.053 0.000 1.075 316 D CA -0.059 53.962 54.000 0.035 0.000 0.851 316 D CB 0.375 41.187 40.800 0.020 0.000 0.976 316 D HN 0.116 nan 8.370 nan 0.000 0.505 317 L N 0.962 122.235 121.223 0.083 0.000 2.418 317 L HA 0.398 4.738 4.340 0.000 0.000 0.265 317 L C 1.358 178.304 176.870 0.127 0.000 1.143 317 L CA -0.098 54.817 54.840 0.125 0.000 0.809 317 L CB 0.942 43.129 42.059 0.214 0.000 1.124 317 L HN -0.165 nan 8.230 nan 0.000 0.456 318 G N 0.421 109.285 108.800 0.106 0.000 2.557 318 G HA2 0.681 4.641 3.960 0.000 0.000 0.302 318 G HA3 0.681 4.641 3.960 0.000 0.000 0.302 318 G C -1.127 173.800 174.900 0.044 0.000 1.311 318 G CA -0.348 44.792 45.100 0.066 0.000 1.030 318 G HN 0.506 nan 8.290 nan 0.000 0.509 319 Q N -1.663 118.133 119.800 -0.008 0.000 2.386 319 Q HA 0.555 4.895 4.340 0.000 0.000 0.274 319 Q C -1.320 174.640 176.000 -0.067 0.000 1.011 319 Q CA -0.754 55.002 55.803 -0.079 0.000 0.867 319 Q CB 2.540 31.185 28.738 -0.156 0.000 1.409 319 Q HN 0.877 nan 8.270 nan 0.000 0.395 320 A N 1.283 124.054 122.820 -0.081 0.000 2.486 320 A HA 0.420 4.740 4.320 0.000 0.000 0.300 320 A C -0.186 177.351 177.584 -0.079 0.000 1.048 320 A CA -0.659 51.341 52.037 -0.062 0.000 0.696 320 A CB 1.298 20.275 19.000 -0.039 0.000 1.278 320 A HN 0.756 nan 8.150 nan 0.000 0.405 321 K N 0.166 120.525 120.400 -0.068 0.000 2.281 321 K HA -0.070 4.250 4.320 0.000 0.000 0.203 321 K C 0.669 177.233 176.600 -0.060 0.000 1.046 321 K CA 1.304 57.550 56.287 -0.069 0.000 0.938 321 K CB 0.026 32.494 32.500 -0.054 0.000 0.737 321 K HN 0.614 nan 8.250 nan 0.000 0.458 322 R N -1.271 119.198 120.500 -0.051 0.000 2.766 322 R HA 0.523 4.863 4.340 0.000 0.000 0.270 322 R C -1.902 174.373 176.300 -0.041 0.000 1.035 322 R CA -0.793 55.281 56.100 -0.043 0.000 0.911 322 R CB 2.673 32.951 30.300 -0.037 0.000 1.243 322 R HN -0.106 nan 8.270 nan 0.000 0.460 323 V N 1.013 120.905 119.914 -0.037 0.000 2.915 323 V HA 0.479 4.599 4.120 0.000 0.000 0.273 323 V C -1.923 174.153 176.094 -0.029 0.000 1.538 323 V CA -0.578 61.697 62.300 -0.040 0.000 0.946 323 V CB 1.917 33.719 31.823 -0.034 0.000 1.183 323 V HN 0.618 nan 8.190 nan 0.000 0.446 324 V N 4.740 124.633 119.914 -0.036 0.000 2.789 324 V HA 0.914 5.034 4.120 0.000 0.000 0.311 324 V C -1.067 175.024 176.094 -0.006 0.000 1.073 324 V CA -0.672 61.622 62.300 -0.010 0.000 0.921 324 V CB 1.860 33.678 31.823 -0.007 0.000 1.009 324 V HN 0.830 nan 8.190 nan 0.000 0.426 325 I N 4.662 125.265 120.570 0.054 0.000 2.689 325 I HA 0.641 4.811 4.170 0.000 0.000 0.299 325 I C -0.133 176.088 176.117 0.173 0.000 1.059 325 I CA -0.304 61.054 61.300 0.096 0.000 1.055 325 I CB 2.196 40.304 38.000 0.181 0.000 1.243 325 I HN 1.013 nan 8.210 nan 0.000 0.425 326 N N 4.020 122.796 118.700 0.125 0.000 2.701 326 N HA 0.321 5.061 4.740 0.000 0.000 0.290 326 N C 0.615 176.110 175.510 -0.025 0.000 1.338 326 N CA -0.776 52.367 53.050 0.155 0.000 0.799 326 N CB 1.309 39.840 38.487 0.073 0.000 1.491 326 N HN 0.560 nan 8.380 nan 0.000 0.540 327 K N -0.382 120.016 120.400 -0.002 0.000 2.137 327 K HA -0.259 4.061 4.320 0.000 0.000 0.216 327 K C -0.457 175.851 176.600 -0.487 0.000 1.052 327 K CA 2.929 59.034 56.287 -0.304 0.000 0.939 327 K CB -0.353 32.116 32.500 -0.051 0.000 0.724 327 K HN 0.812 nan 8.250 nan 0.000 0.465 328 D N -1.627 118.636 120.400 -0.227 0.000 2.914 328 D HA 0.144 4.784 4.640 0.000 0.000 0.349 328 D C -1.072 175.195 176.300 -0.056 0.000 1.540 328 D CA -0.433 53.476 54.000 -0.152 0.000 0.778 328 D CB 0.622 41.368 40.800 -0.090 0.000 1.213 328 D HN -0.023 nan 8.370 nan 0.000 0.451 329 T N -0.201 114.320 114.554 -0.056 0.000 3.295 329 T HA 0.452 4.802 4.350 0.000 0.000 0.331 329 T C -0.832 173.811 174.700 -0.094 0.000 1.142 329 T CA -0.407 61.670 62.100 -0.038 0.000 1.078 329 T CB 2.025 70.879 68.868 -0.023 0.000 1.150 329 T HN -0.072 nan 8.240 nan 0.000 0.465 330 T N 2.254 116.668 114.554 -0.232 0.000 2.895 330 T HA 0.799 5.149 4.350 0.000 0.000 0.283 330 T C -0.271 174.107 174.700 -0.536 0.000 1.014 330 T CA -0.620 61.243 62.100 -0.395 0.000 1.037 330 T CB 1.687 70.214 68.868 -0.569 0.000 1.006 330 T HN 0.680 nan 8.240 nan 0.000 0.468 331 T N 2.428 116.772 114.554 -0.348 0.000 3.395 331 T HA 0.538 4.888 4.350 0.000 0.000 0.330 331 T C -0.941 173.660 174.700 -0.164 0.000 1.076 331 T CA -0.855 61.086 62.100 -0.264 0.000 1.070 331 T CB 0.124 68.896 68.868 -0.161 0.000 1.119 331 T HN 0.631 nan 8.240 nan 0.000 0.462 332 I N 2.752 123.240 120.570 -0.136 0.000 2.607 332 I HA 0.771 4.941 4.170 0.000 0.000 0.305 332 I C -0.949 175.136 176.117 -0.052 0.000 0.995 332 I CA -1.352 59.905 61.300 -0.072 0.000 1.148 332 I CB 1.763 39.740 38.000 -0.039 0.000 1.323 332 I HN 0.559 nan 8.210 nan 0.000 0.461 333 I N 3.262 123.807 120.570 -0.042 0.000 2.447 333 I HA 0.314 4.484 4.170 0.000 0.000 0.287 333 I C -1.101 174.996 176.117 -0.033 0.000 1.023 333 I CA -0.375 60.904 61.300 -0.036 0.000 1.083 333 I CB 1.576 39.554 38.000 -0.037 0.000 1.245 333 I HN 0.729 nan 8.210 nan 0.000 0.434 334 D N 5.024 125.408 120.400 -0.027 0.000 4.161 334 D HA -0.108 4.532 4.640 0.000 0.000 0.246 334 D C -0.069 176.215 176.300 -0.027 0.000 1.064 334 D CA 0.848 54.833 54.000 -0.026 0.000 1.187 334 D CB -0.154 40.627 40.800 -0.030 0.000 0.871 334 D HN 0.823 nan 8.370 nan 0.000 0.413 335 G N 1.409 110.199 108.800 -0.018 0.000 2.390 335 G HA2 0.427 4.387 3.960 0.000 0.000 0.270 335 G HA3 0.427 4.387 3.960 0.000 0.000 0.270 335 G C 1.391 176.281 174.900 -0.017 0.000 1.211 335 G CA -0.344 44.748 45.100 -0.014 0.000 0.842 335 G HN 0.394 nan 8.290 nan 0.000 0.519 336 V N 2.661 122.562 119.914 -0.022 0.000 3.305 336 V HA 0.030 4.150 4.120 0.000 0.000 0.269 336 V C 2.050 178.138 176.094 -0.010 0.000 1.157 336 V CA 0.668 62.955 62.300 -0.021 0.000 1.157 336 V CB -1.123 30.681 31.823 -0.032 0.000 0.772 336 V HN 0.773 nan 8.190 nan 0.000 0.498 337 G N 1.217 110.015 108.800 -0.004 0.000 2.272 337 G HA2 0.073 4.033 3.960 0.000 0.000 0.247 337 G HA3 0.073 4.033 3.960 0.000 0.000 0.247 337 G C 0.064 174.963 174.900 -0.001 0.000 1.272 337 G CA -0.277 44.824 45.100 0.001 0.000 0.921 337 G HN 0.321 nan 8.290 nan 0.000 0.495 338 E N 2.301 122.501 120.200 -0.000 0.000 2.558 338 E HA -0.054 4.296 4.350 0.000 0.000 0.255 338 E C 1.289 177.888 176.600 -0.001 0.000 0.968 338 E CA -0.039 56.361 56.400 -0.001 0.000 0.939 338 E CB 0.737 30.437 29.700 0.000 0.000 0.921 338 E HN 0.562 nan 8.360 nan 0.000 0.477 339 E N 2.719 122.917 120.200 -0.003 0.000 2.097 339 E HA -0.251 4.099 4.350 0.000 0.000 0.196 339 E C 1.791 178.389 176.600 -0.002 0.000 1.000 339 E CA 1.551 57.950 56.400 -0.003 0.000 0.804 339 E CB -0.259 29.439 29.700 -0.004 0.000 0.740 339 E HN 0.617 nan 8.360 nan 0.000 0.454 340 A N 1.717 124.536 122.820 -0.002 0.000 1.884 340 A HA -0.247 4.073 4.320 0.000 0.000 0.219 340 A C 2.458 180.041 177.584 -0.001 0.000 1.197 340 A CA 2.888 54.924 52.037 -0.002 0.000 0.637 340 A CB -0.890 18.109 19.000 -0.001 0.000 0.827 340 A HN 0.318 nan 8.150 nan 0.000 0.450 341 A N -0.055 122.765 122.820 -0.000 0.000 1.834 341 A HA -0.111 4.209 4.320 0.000 0.000 0.216 341 A C 2.133 179.717 177.584 0.000 0.000 1.203 341 A CA 1.642 53.680 52.037 0.001 0.000 0.621 341 A CB -0.881 18.120 19.000 0.002 0.000 0.841 341 A HN 0.526 nan 8.150 nan 0.000 0.446 342 I N -0.371 120.200 120.570 0.001 0.000 2.053 342 I HA -0.384 3.786 4.170 0.000 0.000 0.236 342 I C 2.798 178.914 176.117 -0.001 0.000 1.038 342 I CA 1.872 63.172 61.300 0.001 0.000 1.304 342 I CB -0.731 37.270 38.000 0.001 0.000 1.023 342 I HN 0.384 nan 8.210 nan 0.000 0.395 343 Q N 0.801 120.600 119.800 -0.002 0.000 2.152 343 Q HA -0.193 4.147 4.340 0.000 0.000 0.206 343 Q C 2.300 178.298 176.000 -0.003 0.000 0.985 343 Q CA 2.001 57.803 55.803 -0.003 0.000 0.863 343 Q CB -1.120 27.616 28.738 -0.003 0.000 0.904 343 Q HN 0.713 nan 8.270 nan 0.000 0.422 344 G N 0.973 109.771 108.800 -0.003 0.000 2.433 344 G HA2 -0.332 3.628 3.960 0.000 0.000 0.216 344 G HA3 -0.332 3.628 3.960 0.000 0.000 0.216 344 G C 1.615 176.513 174.900 -0.004 0.000 1.186 344 G CA 1.000 46.099 45.100 -0.003 0.000 0.779 344 G HN 0.303 nan 8.290 nan 0.000 0.543 345 R N 0.290 120.788 120.500 -0.003 0.000 2.119 345 R HA -0.110 4.230 4.340 0.000 0.000 0.246 345 R C 2.610 178.906 176.300 -0.006 0.000 1.146 345 R CA 1.750 57.847 56.100 -0.005 0.000 0.962 345 R CB -0.951 29.348 30.300 -0.003 0.000 0.863 345 R HN 0.253 nan 8.270 nan 0.000 0.442 346 V N 0.660 120.571 119.914 -0.005 0.000 2.231 346 V HA -0.319 3.801 4.120 0.000 0.000 0.248 346 V C 2.406 178.495 176.094 -0.008 0.000 1.054 346 V CA 2.178 64.474 62.300 -0.007 0.000 1.015 346 V CB -1.275 30.544 31.823 -0.005 0.000 0.638 346 V HN 0.591 nan 8.190 nan 0.000 0.444 347 A N -0.635 122.181 122.820 -0.007 0.000 1.896 347 A HA -0.383 3.937 4.320 0.000 0.000 0.220 347 A C 2.149 179.728 177.584 -0.008 0.000 1.206 347 A CA 2.628 54.661 52.037 -0.007 0.000 0.647 347 A CB -0.696 18.301 19.000 -0.006 0.000 0.828 347 A HN 0.698 nan 8.150 nan 0.000 0.455 348 Q N -0.541 119.253 119.800 -0.009 0.000 1.967 348 Q HA -0.217 4.123 4.340 0.000 0.000 0.210 348 Q C 2.181 178.173 176.000 -0.013 0.000 1.005 348 Q CA 1.938 57.735 55.803 -0.010 0.000 0.862 348 Q CB -0.499 28.233 28.738 -0.011 0.000 0.939 348 Q HN 0.752 nan 8.270 nan 0.000 0.417 349 I N 0.426 120.987 120.570 -0.015 0.000 2.087 349 I HA -0.356 3.814 4.170 0.000 0.000 0.240 349 I C 2.549 178.654 176.117 -0.019 0.000 1.054 349 I CA 1.162 62.450 61.300 -0.020 0.000 1.311 349 I CB -0.511 37.477 38.000 -0.021 0.000 1.024 349 I HN 0.232 nan 8.210 nan 0.000 0.402 350 R N 0.597 121.088 120.500 -0.015 0.000 2.168 350 R HA -0.312 4.028 4.340 0.000 0.000 0.242 350 R C 2.143 178.436 176.300 -0.013 0.000 1.123 350 R CA 2.177 58.269 56.100 -0.013 0.000 0.928 350 R CB -1.257 29.038 30.300 -0.010 0.000 0.873 350 R HN 0.561 nan 8.270 nan 0.000 0.434 351 Q N 0.833 120.627 119.800 -0.011 0.000 1.998 351 Q HA -0.257 4.083 4.340 0.000 0.000 0.209 351 Q C 2.089 178.082 176.000 -0.012 0.000 1.002 351 Q CA 2.268 58.065 55.803 -0.010 0.000 0.858 351 Q CB -0.129 28.603 28.738 -0.009 0.000 0.932 351 Q HN 0.469 nan 8.270 nan 0.000 0.416 352 Q N -0.159 119.632 119.800 -0.015 0.000 2.315 352 Q HA -0.211 4.129 4.340 0.000 0.000 0.213 352 Q C 1.872 177.861 176.000 -0.020 0.000 0.994 352 Q CA 1.577 57.369 55.803 -0.019 0.000 0.906 352 Q CB -0.358 28.366 28.738 -0.024 0.000 0.918 352 Q HN 0.562 nan 8.270 nan 0.000 0.427 353 I N 1.157 121.716 120.570 -0.019 0.000 3.444 353 I HA -0.168 4.002 4.170 0.000 0.000 0.287 353 I C 2.272 178.381 176.117 -0.012 0.000 1.302 353 I CA 0.549 61.838 61.300 -0.019 0.000 1.368 353 I CB -0.532 37.457 38.000 -0.018 0.000 1.048 353 I HN 0.322 nan 8.210 nan 0.000 0.487 354 E N 1.404 121.598 120.200 -0.010 0.000 2.106 354 E HA -0.254 4.096 4.350 0.000 0.000 0.192 354 E C 1.551 178.148 176.600 -0.005 0.000 0.984 354 E CA 1.118 57.514 56.400 -0.007 0.000 0.806 354 E CB -0.198 29.498 29.700 -0.007 0.000 0.750 354 E HN 0.372 nan 8.360 nan 0.000 0.458 355 E N 1.465 121.661 120.200 -0.007 0.000 2.086 355 E HA -0.147 4.203 4.350 0.000 0.000 0.200 355 E C 1.426 178.025 176.600 -0.001 0.000 1.012 355 E CA 1.728 58.125 56.400 -0.005 0.000 0.812 355 E CB -0.571 29.125 29.700 -0.007 0.000 0.743 355 E HN 0.495 nan 8.360 nan 0.000 0.453 356 A N -0.227 122.591 122.820 -0.003 0.000 2.723 356 A HA -0.313 4.007 4.320 0.000 0.000 0.305 356 A C 1.349 178.938 177.584 0.010 0.000 1.513 356 A CA 1.464 53.503 52.037 0.002 0.000 0.925 356 A CB -2.395 16.606 19.000 0.002 0.000 0.956 356 A HN 0.269 nan 8.150 nan 0.000 0.508 357 T N -0.421 114.139 114.554 0.010 0.000 3.320 357 T HA 0.320 4.670 4.350 0.000 0.000 0.258 357 T C 0.485 175.202 174.700 0.028 0.000 1.176 357 T CA 1.361 63.471 62.100 0.016 0.000 1.037 357 T CB -0.507 68.369 68.868 0.013 0.000 0.958 357 T HN 1.555 nan 8.240 nan 0.000 0.545 358 S N -0.214 115.508 115.700 0.035 0.000 2.678 358 S HA 0.143 4.613 4.470 0.000 0.000 0.290 358 S C -1.309 173.331 174.600 0.067 0.000 1.047 358 S CA -0.796 57.440 58.200 0.059 0.000 0.851 358 S CB 0.683 63.940 63.200 0.095 0.000 1.058 358 S HN 0.064 nan 8.310 nan 0.000 0.451 359 D N 1.559 122.007 120.400 0.079 0.000 2.352 359 D HA 0.155 4.795 4.640 0.000 0.000 0.232 359 D C 0.681 177.059 176.300 0.130 0.000 1.055 359 D CA 0.509 54.555 54.000 0.077 0.000 0.891 359 D CB 0.041 40.878 40.800 0.061 0.000 0.897 359 D HN 0.498 nan 8.370 nan 0.000 0.529 360 Y N 0.436 120.733 120.300 -0.005 0.000 2.559 360 Y HA 0.103 4.653 4.550 0.000 0.000 0.279 360 Y C 0.997 176.889 175.900 -0.015 0.000 1.117 360 Y CA 0.645 58.741 58.100 -0.007 0.000 1.263 360 Y CB 0.372 38.828 38.460 -0.007 0.000 1.230 360 Y HN -0.205 nan 8.280 nan 0.000 0.528 361 D N -0.178 120.224 120.400 0.004 0.000 2.162 361 D HA -0.036 4.604 4.640 0.000 0.000 0.203 361 D C 2.056 178.305 176.300 -0.084 0.000 0.967 361 D CA 1.014 54.960 54.000 -0.090 0.000 0.840 361 D CB -0.129 40.666 40.800 -0.008 0.000 0.972 361 D HN 0.183 nan 8.370 nan 0.000 0.482 362 R N 0.629 121.109 120.500 -0.033 0.000 2.090 362 R HA -0.068 4.272 4.340 0.000 0.000 0.228 362 R C 2.006 178.281 176.300 -0.041 0.000 1.110 362 R CA 0.952 57.035 56.100 -0.027 0.000 0.973 362 R CB 0.092 30.390 30.300 -0.003 0.000 0.869 362 R HN 0.183 nan 8.270 nan 0.000 0.440 363 E N 0.323 120.498 120.200 -0.042 0.000 2.072 363 E HA -0.225 4.125 4.350 0.000 0.000 0.191 363 E C 1.547 178.088 176.600 -0.100 0.000 0.985 363 E CA 1.197 57.570 56.400 -0.045 0.000 0.801 363 E CB 0.196 29.893 29.700 -0.005 0.000 0.750 363 E HN 0.005 nan 8.360 nan 0.000 0.452 364 K N 0.724 121.007 120.400 -0.195 0.000 1.965 364 K HA -0.086 4.234 4.320 0.000 0.000 0.214 364 K C 2.158 178.676 176.600 -0.138 0.000 1.046 364 K CA 1.353 57.500 56.287 -0.233 0.000 0.944 364 K CB -0.722 31.548 32.500 -0.383 0.000 0.726 364 K HN 0.115 nan 8.250 nan 0.000 0.441 365 L N 0.705 121.856 121.223 -0.120 0.000 2.054 365 L HA -0.359 3.981 4.340 0.000 0.000 0.220 365 L C 2.613 179.449 176.870 -0.057 0.000 1.081 365 L CA 1.689 56.482 54.840 -0.078 0.000 0.780 365 L CB -0.650 41.372 42.059 -0.061 0.000 0.893 365 L HN 0.338 nan 8.230 nan 0.000 0.438 366 Q N 0.541 120.310 119.800 -0.052 0.000 1.956 366 Q HA -0.252 4.088 4.340 0.000 0.000 0.208 366 Q C 1.959 177.941 176.000 -0.030 0.000 0.998 366 Q CA 2.193 57.976 55.803 -0.034 0.000 0.855 366 Q CB -0.244 28.478 28.738 -0.027 0.000 0.928 366 Q HN 0.452 nan 8.270 nan 0.000 0.418 367 E N -0.284 119.894 120.200 -0.036 0.000 2.086 367 E HA -0.311 4.039 4.350 0.000 0.000 0.205 367 E C 2.146 178.735 176.600 -0.018 0.000 1.027 367 E CA 1.708 58.093 56.400 -0.024 0.000 0.830 367 E CB -0.280 29.401 29.700 -0.032 0.000 0.751 367 E HN 0.288 nan 8.360 nan 0.000 0.456 368 R N 0.382 120.863 120.500 -0.031 0.000 2.094 368 R HA -0.186 4.154 4.340 0.000 0.000 0.239 368 R C 2.533 178.826 176.300 -0.012 0.000 1.137 368 R CA 1.732 57.819 56.100 -0.022 0.000 0.943 368 R CB -0.812 29.466 30.300 -0.037 0.000 0.850 368 R HN 0.079 nan 8.270 nan 0.000 0.433 369 V N 1.297 121.201 119.914 -0.017 0.000 2.317 369 V HA -0.349 3.771 4.120 0.000 0.000 0.251 369 V C 2.482 178.573 176.094 -0.005 0.000 1.065 369 V CA 2.085 64.378 62.300 -0.012 0.000 1.049 369 V CB -0.990 30.825 31.823 -0.014 0.000 0.651 369 V HN 0.497 nan 8.190 nan 0.000 0.450 370 A N -0.188 122.630 122.820 -0.005 0.000 1.834 370 A HA -0.222 4.098 4.320 0.000 0.000 0.216 370 A C 2.276 179.864 177.584 0.006 0.000 1.203 370 A CA 1.997 54.034 52.037 -0.000 0.000 0.621 370 A CB -0.636 18.364 19.000 0.001 0.000 0.841 370 A HN 0.407 nan 8.150 nan 0.000 0.446 371 K N -0.758 119.650 120.400 0.014 0.000 2.049 371 K HA -0.243 4.077 4.320 0.000 0.000 0.219 371 K C 1.920 178.533 176.600 0.022 0.000 1.056 371 K CA 1.859 58.162 56.287 0.027 0.000 0.946 371 K CB -1.191 31.338 32.500 0.048 0.000 0.723 371 K HN 0.425 nan 8.250 nan 0.000 0.453 372 L N 0.275 121.509 121.223 0.018 0.000 1.961 372 L HA -0.129 4.211 4.340 0.000 0.000 0.209 372 L C 2.290 179.163 176.870 0.006 0.000 1.075 372 L CA 2.337 57.186 54.840 0.014 0.000 0.749 372 L CB -0.997 41.068 42.059 0.010 0.000 0.890 372 L HN 0.225 nan 8.230 nan 0.000 0.433 373 A N -0.907 121.914 122.820 0.002 0.000 1.832 373 A HA 0.054 4.374 4.320 0.000 0.000 0.214 373 A C 2.332 179.915 177.584 -0.002 0.000 1.204 373 A CA 1.391 53.427 52.037 -0.001 0.000 0.606 373 A CB -1.736 17.263 19.000 -0.003 0.000 0.849 373 A HN 0.586 nan 8.150 nan 0.000 0.445 374 G N -0.493 108.301 108.800 -0.011 0.000 4.117 374 G HA2 0.012 3.972 3.960 0.000 0.000 0.241 374 G HA3 0.012 3.972 3.960 0.000 0.000 0.241 374 G C 1.608 176.505 174.900 -0.004 0.000 1.036 374 G CA 1.896 46.991 45.100 -0.009 0.000 0.675 374 G HN 2.158 nan 8.290 nan 0.000 0.789 375 G N -2.611 106.188 108.800 -0.002 0.000 2.888 375 G HA2 0.110 4.070 3.960 0.000 0.000 0.441 375 G HA3 0.110 4.070 3.960 0.000 0.000 0.441 375 G C -0.518 174.383 174.900 0.002 0.000 1.461 375 G CA -0.247 44.853 45.100 0.000 0.000 0.897 375 G HN 1.265 nan 8.290 nan 0.000 0.547 376 V N 1.021 120.936 119.914 0.001 0.000 2.407 376 V HA 0.697 4.817 4.120 0.000 0.000 0.291 376 V C 0.864 176.954 176.094 -0.005 0.000 1.018 376 V CA -0.073 62.227 62.300 -0.000 0.000 0.842 376 V CB 1.209 33.033 31.823 0.001 0.000 0.996 376 V HN 1.970 nan 8.190 nan 0.000 0.426 377 A N 5.210 128.025 122.820 -0.007 0.000 2.409 377 A HA 0.700 5.020 4.320 0.000 0.000 0.267 377 A C -0.055 177.520 177.584 -0.014 0.000 1.127 377 A CA -0.183 51.848 52.037 -0.010 0.000 0.795 377 A CB 0.618 19.612 19.000 -0.010 0.000 1.061 377 A HN 1.398 nan 8.150 nan 0.000 0.502 378 V N 1.193 121.099 119.914 -0.014 0.000 2.864 378 V HA 0.869 4.989 4.120 0.000 0.000 0.314 378 V C -0.444 175.640 176.094 -0.016 0.000 1.073 378 V CA -0.910 61.380 62.300 -0.017 0.000 0.956 378 V CB 1.549 33.363 31.823 -0.016 0.000 1.023 378 V HN 0.704 nan 8.190 nan 0.000 0.435 379 I N 1.839 122.398 120.570 -0.018 0.000 2.730 379 I HA 0.578 4.748 4.170 0.000 0.000 0.298 379 I C -0.530 175.577 176.117 -0.016 0.000 1.089 379 I CA -0.848 60.442 61.300 -0.016 0.000 1.041 379 I CB 2.680 40.669 38.000 -0.018 0.000 1.235 379 I HN 0.636 nan 8.210 nan 0.000 0.423 380 K N 4.456 124.847 120.400 -0.014 0.000 2.575 380 K HA 0.380 4.700 4.320 0.000 0.000 0.236 380 K C -1.080 175.513 176.600 -0.011 0.000 0.976 380 K CA -0.616 55.663 56.287 -0.013 0.000 0.985 380 K CB 1.994 34.487 32.500 -0.012 0.000 1.198 380 K HN 0.286 nan 8.250 nan 0.000 0.464 381 V N 2.779 122.686 119.914 -0.011 0.000 2.441 381 V HA -0.034 4.086 4.120 0.000 0.000 0.279 381 V C 1.092 177.181 176.094 -0.008 0.000 0.990 381 V CA 0.150 62.444 62.300 -0.010 0.000 1.116 381 V CB -0.096 31.721 31.823 -0.009 0.000 0.977 381 V HN 0.818 nan 8.190 nan 0.000 0.470 382 G N 3.702 112.498 108.800 -0.008 0.000 2.507 382 G HA2 0.688 4.648 3.960 0.000 0.000 0.271 382 G HA3 0.688 4.648 3.960 0.000 0.000 0.271 382 G C -0.260 174.637 174.900 -0.006 0.000 1.189 382 G CA 0.267 45.362 45.100 -0.007 0.000 0.859 382 G HN 1.370 nan 8.290 nan 0.000 0.542 383 A N -0.531 122.286 122.820 -0.006 0.000 2.590 383 A HA 0.739 5.059 4.320 0.000 0.000 0.294 383 A C 0.560 178.141 177.584 -0.005 0.000 1.046 383 A CA 0.402 52.436 52.037 -0.005 0.000 0.684 383 A CB 0.425 19.422 19.000 -0.005 0.000 1.279 383 A HN 1.834 nan 8.150 nan 0.000 0.415 384 A N 0.448 123.266 122.820 -0.005 0.000 1.825 384 A HA 0.362 4.682 4.320 0.000 0.000 0.214 384 A C 1.546 179.127 177.584 -0.005 0.000 1.206 384 A CA 2.395 54.430 52.037 -0.004 0.000 0.609 384 A CB -0.918 18.079 19.000 -0.004 0.000 0.851 384 A HN 1.846 nan 8.150 nan 0.000 0.445 385 T N -1.818 112.733 114.554 -0.005 0.000 2.902 385 T HA 0.277 4.627 4.350 0.000 0.000 0.280 385 T C 0.912 175.609 174.700 -0.005 0.000 0.992 385 T CA 0.215 62.313 62.100 -0.005 0.000 1.015 385 T CB 1.300 70.165 68.868 -0.004 0.000 1.044 385 T HN 0.459 nan 8.240 nan 0.000 0.520 386 E N 1.309 121.505 120.200 -0.006 0.000 2.208 386 E HA -0.061 4.289 4.350 0.000 0.000 0.193 386 E C 1.810 178.407 176.600 -0.006 0.000 0.988 386 E CA 0.754 57.150 56.400 -0.006 0.000 0.828 386 E CB 0.045 29.741 29.700 -0.007 0.000 0.763 386 E HN 0.542 nan 8.360 nan 0.000 0.478 387 V N 1.363 121.274 119.914 -0.005 0.000 2.221 387 V HA -0.274 3.846 4.120 0.000 0.000 0.242 387 V C 2.457 178.549 176.094 -0.004 0.000 1.041 387 V CA 2.275 64.573 62.300 -0.004 0.000 0.995 387 V CB -0.834 30.987 31.823 -0.004 0.000 0.635 387 V HN 0.403 nan 8.190 nan 0.000 0.448 388 E N -0.265 119.932 120.200 -0.004 0.000 2.086 388 E HA -0.332 4.018 4.350 0.000 0.000 0.200 388 E C 2.217 178.815 176.600 -0.004 0.000 1.012 388 E CA 2.180 58.578 56.400 -0.004 0.000 0.812 388 E CB -0.240 29.458 29.700 -0.004 0.000 0.743 388 E HN 0.408 nan 8.360 nan 0.000 0.453 389 M N 1.307 120.904 119.600 -0.005 0.000 2.605 389 M HA -0.254 4.226 4.480 0.000 0.000 0.269 389 M C 1.983 178.279 176.300 -0.005 0.000 1.064 389 M CA 2.151 57.447 55.300 -0.006 0.000 1.078 389 M CB -0.746 31.851 32.600 -0.006 0.000 1.234 389 M HN 0.029 nan 8.290 nan 0.000 0.483 390 K N -0.326 120.070 120.400 -0.006 0.000 2.160 390 K HA -0.206 4.114 4.320 0.000 0.000 0.206 390 K C 1.994 178.592 176.600 -0.003 0.000 1.047 390 K CA 1.466 57.750 56.287 -0.005 0.000 0.930 390 K CB -0.324 32.172 32.500 -0.006 0.000 0.720 390 K HN 0.431 nan 8.250 nan 0.000 0.450 391 E N 2.002 122.201 120.200 -0.003 0.000 2.007 391 E HA -0.226 4.124 4.350 0.000 0.000 0.194 391 E C 1.922 178.522 176.600 -0.000 0.000 0.999 391 E CA 1.518 57.917 56.400 -0.001 0.000 0.811 391 E CB -0.050 29.649 29.700 -0.002 0.000 0.762 391 E HN 0.173 nan 8.360 nan 0.000 0.450 392 K N 0.975 121.374 120.400 -0.002 0.000 2.059 392 K HA -0.245 4.075 4.320 0.000 0.000 0.212 392 K C 2.371 178.970 176.600 -0.001 0.000 1.050 392 K CA 2.233 58.519 56.287 -0.002 0.000 0.927 392 K CB -0.277 32.221 32.500 -0.003 0.000 0.714 392 K HN -0.003 nan 8.250 nan 0.000 0.447 393 K N 0.077 120.476 120.400 -0.003 0.000 2.144 393 K HA -0.244 4.076 4.320 0.000 0.000 0.209 393 K C 1.866 178.465 176.600 -0.001 0.000 1.047 393 K CA 1.542 57.826 56.287 -0.005 0.000 0.927 393 K CB -0.258 32.238 32.500 -0.006 0.000 0.716 393 K HN 0.305 nan 8.250 nan 0.000 0.454 394 A N 1.451 124.273 122.820 0.003 0.000 1.835 394 A HA -0.184 4.136 4.320 0.000 0.000 0.215 394 A C 2.098 179.692 177.584 0.017 0.000 1.199 394 A CA 1.803 53.847 52.037 0.011 0.000 0.615 394 A CB -0.657 18.350 19.000 0.011 0.000 0.838 394 A HN 0.402 nan 8.150 nan 0.000 0.444 395 R N -0.603 119.905 120.500 0.013 0.000 2.119 395 R HA -0.161 4.179 4.340 0.000 0.000 0.246 395 R C 1.987 178.297 176.300 0.016 0.000 1.146 395 R CA 1.622 57.731 56.100 0.016 0.000 0.962 395 R CB -0.893 29.412 30.300 0.008 0.000 0.863 395 R HN 0.413 nan 8.270 nan 0.000 0.442 396 V N 1.311 121.229 119.914 0.007 0.000 2.219 396 V HA -0.311 3.809 4.120 0.000 0.000 0.248 396 V C 2.033 178.124 176.094 -0.006 0.000 1.053 396 V CA 2.251 64.550 62.300 -0.001 0.000 1.009 396 V CB -0.587 31.231 31.823 -0.009 0.000 0.636 396 V HN 0.401 nan 8.190 nan 0.000 0.445 397 E N -0.038 120.157 120.200 -0.010 0.000 2.130 397 E HA -0.263 4.087 4.350 0.000 0.000 0.196 397 E C 1.877 178.490 176.600 0.021 0.000 0.998 397 E CA 1.559 57.939 56.400 -0.034 0.000 0.806 397 E CB -0.294 29.397 29.700 -0.016 0.000 0.738 397 E HN 0.653 nan 8.360 nan 0.000 0.459 398 D N 0.696 121.147 120.400 0.086 0.000 2.106 398 D HA -0.194 4.446 4.640 0.000 0.000 0.194 398 D C 1.989 178.363 176.300 0.123 0.000 0.988 398 D CA 1.618 55.705 54.000 0.145 0.000 0.845 398 D CB -0.753 40.093 40.800 0.076 0.000 0.990 398 D HN 0.179 nan 8.370 nan 0.000 0.448 399 A N 1.224 124.080 122.820 0.060 0.000 1.881 399 A HA -0.259 4.061 4.320 0.000 0.000 0.219 399 A C 2.353 179.962 177.584 0.041 0.000 1.215 399 A CA 2.176 54.239 52.037 0.042 0.000 0.648 399 A CB -1.311 17.701 19.000 0.020 0.000 0.832 399 A HN 0.357 nan 8.150 nan 0.000 0.455 400 L N -1.454 119.771 121.223 0.004 0.000 2.030 400 L HA -0.349 3.991 4.340 0.000 0.000 0.222 400 L C 2.613 179.475 176.870 -0.012 0.000 1.082 400 L CA 2.510 57.329 54.840 -0.034 0.000 0.785 400 L CB -0.593 41.408 42.059 -0.098 0.000 0.895 400 L HN 0.594 nan 8.230 nan 0.000 0.439 401 H N -0.204 118.870 119.070 0.005 0.000 2.497 401 H HA -0.274 4.282 4.556 0.000 0.000 0.294 401 H C 2.172 177.505 175.328 0.009 0.000 1.056 401 H CA 1.933 57.986 56.048 0.008 0.000 1.124 401 H CB -0.870 28.897 29.762 0.009 0.000 1.407 401 H HN 0.590 nan 8.280 nan 0.000 0.617 402 A N 0.359 123.287 122.820 0.179 0.000 1.944 402 A HA -0.310 4.010 4.320 0.000 0.000 0.222 402 A C 2.701 180.322 177.584 0.062 0.000 1.237 402 A CA 3.274 55.363 52.037 0.087 0.000 0.668 402 A CB -1.380 17.656 19.000 0.059 0.000 0.830 402 A HN 0.619 nan 8.150 nan 0.000 0.471 403 T N -0.565 114.020 114.554 0.053 0.000 2.635 403 T HA -0.215 4.135 4.350 0.000 0.000 0.267 403 T C 2.013 176.732 174.700 0.033 0.000 1.040 403 T CA 1.689 63.809 62.100 0.033 0.000 1.156 403 T CB -0.305 68.574 68.868 0.020 0.000 0.863 403 T HN 0.580 nan 8.240 nan 0.000 0.430 404 R N 0.893 121.417 120.500 0.039 0.000 2.096 404 R HA -0.069 4.271 4.340 0.000 0.000 0.240 404 R C 2.872 179.198 176.300 0.043 0.000 1.139 404 R CA 1.481 57.603 56.100 0.037 0.000 0.952 404 R CB -0.622 29.703 30.300 0.042 0.000 0.854 404 R HN 0.410 nan 8.270 nan 0.000 0.436 405 A N 1.239 124.092 122.820 0.056 0.000 1.877 405 A HA -0.134 4.186 4.320 0.000 0.000 0.216 405 A C 2.419 180.022 177.584 0.031 0.000 1.186 405 A CA 1.728 53.792 52.037 0.045 0.000 0.620 405 A CB -0.825 18.204 19.000 0.048 0.000 0.822 405 A HN 0.421 nan 8.150 nan 0.000 0.443 406 A N -0.407 122.432 122.820 0.031 0.000 1.903 406 A HA -0.116 4.204 4.320 0.000 0.000 0.219 406 A C 2.263 179.859 177.584 0.021 0.000 1.191 406 A CA 2.232 54.283 52.037 0.023 0.000 0.638 406 A CB -1.239 17.774 19.000 0.023 0.000 0.823 406 A HN 0.479 nan 8.150 nan 0.000 0.451 407 V N 0.208 120.135 119.914 0.022 0.000 2.219 407 V HA -0.347 3.773 4.120 0.000 0.000 0.248 407 V C 2.426 178.532 176.094 0.019 0.000 1.053 407 V CA 2.502 64.813 62.300 0.019 0.000 1.009 407 V CB -1.162 30.673 31.823 0.019 0.000 0.636 407 V HN 0.695 nan 8.190 nan 0.000 0.445 408 E N 0.034 120.247 120.200 0.022 0.000 2.097 408 E HA -0.248 4.102 4.350 0.000 0.000 0.196 408 E C 1.593 178.202 176.600 0.016 0.000 1.000 408 E CA 1.765 58.178 56.400 0.021 0.000 0.804 408 E CB -0.129 29.585 29.700 0.024 0.000 0.740 408 E HN 0.732 nan 8.360 nan 0.000 0.454 409 E N -0.631 119.578 120.200 0.015 0.000 2.759 409 E HA 0.253 4.603 4.350 0.000 0.000 0.220 409 E C 0.399 177.006 176.600 0.011 0.000 0.974 409 E CA 0.114 56.520 56.400 0.011 0.000 1.148 409 E CB 1.494 31.198 29.700 0.007 0.000 1.059 409 E HN 0.232 nan 8.360 nan 0.000 0.493 410 G N 1.416 110.224 108.800 0.013 0.000 2.693 410 G HA2 -0.222 3.738 3.960 0.000 0.000 0.226 410 G HA3 -0.222 3.738 3.960 0.000 0.000 0.226 410 G C -0.147 174.761 174.900 0.013 0.000 1.354 410 G CA -0.341 44.767 45.100 0.013 0.000 0.873 410 G HN 0.564 nan 8.290 nan 0.000 0.562 411 V N -3.014 116.908 119.914 0.013 0.000 3.156 411 V HA 1.032 5.152 4.120 0.000 0.000 0.310 411 V C 0.518 176.620 176.094 0.013 0.000 1.234 411 V CA 0.644 62.952 62.300 0.013 0.000 1.065 411 V CB 1.331 33.161 31.823 0.013 0.000 1.088 411 V HN 2.662 nan 8.190 nan 0.000 0.451 412 V N -2.899 117.023 119.914 0.012 0.000 3.203 412 V HA 0.992 5.112 4.120 0.000 0.000 0.305 412 V C 0.254 176.356 176.094 0.013 0.000 1.361 412 V CA -0.792 61.517 62.300 0.015 0.000 1.066 412 V CB 0.919 32.750 31.823 0.014 0.000 1.085 412 V HN 2.497 nan 8.190 nan 0.000 0.456 413 A N 0.043 122.872 122.820 0.016 0.000 2.546 413 A HA 0.554 4.874 4.320 0.000 0.000 0.243 413 A C 1.140 178.726 177.584 0.003 0.000 1.063 413 A CA 0.563 52.607 52.037 0.011 0.000 0.757 413 A CB -0.172 18.840 19.000 0.019 0.000 0.991 413 A HN 2.248 nan 8.150 nan 0.000 0.503 414 G N 1.460 110.256 108.800 -0.007 0.000 3.502 414 G HA2 0.367 4.327 3.960 0.000 0.000 0.267 414 G HA3 0.367 4.327 3.960 0.000 0.000 0.267 414 G C 0.698 175.587 174.900 -0.019 0.000 1.090 414 G CA 0.642 45.735 45.100 -0.011 0.000 0.795 414 G HN 1.156 nan 8.290 nan 0.000 0.535 415 G N -0.319 108.466 108.800 -0.024 0.000 3.448 415 G HA2 0.416 4.376 3.960 0.000 0.000 0.261 415 G HA3 0.416 4.376 3.960 0.000 0.000 0.261 415 G C 1.162 176.057 174.900 -0.008 0.000 1.173 415 G CA 0.184 45.265 45.100 -0.031 0.000 0.835 415 G HN 1.177 nan 8.290 nan 0.000 0.534 416 G N -0.933 107.867 108.800 -0.001 0.000 2.176 416 G HA2 -0.343 3.617 3.960 0.000 0.000 0.253 416 G HA3 -0.343 3.617 3.960 0.000 0.000 0.253 416 G C 1.246 176.155 174.900 0.014 0.000 0.979 416 G CA 0.476 45.581 45.100 0.008 0.000 0.641 416 G HN 0.523 nan 8.290 nan 0.000 0.530 417 V N 1.068 120.988 119.914 0.011 0.000 2.223 417 V HA -0.024 4.096 4.120 0.000 0.000 0.244 417 V C 3.325 179.432 176.094 0.023 0.000 1.045 417 V CA 3.065 65.375 62.300 0.017 0.000 1.000 417 V CB -1.561 30.267 31.823 0.009 0.000 0.635 417 V HN 1.199 nan 8.190 nan 0.000 0.445 418 A N 0.309 123.141 122.820 0.019 0.000 1.929 418 A HA -0.260 4.060 4.320 0.000 0.000 0.221 418 A C 2.224 179.820 177.584 0.021 0.000 1.211 418 A CA 2.468 54.517 52.037 0.021 0.000 0.657 418 A CB -0.770 18.239 19.000 0.015 0.000 0.827 418 A HN 0.430 nan 8.150 nan 0.000 0.462 419 L N -0.684 120.549 121.223 0.018 0.000 2.017 419 L HA -0.160 4.180 4.340 0.000 0.000 0.208 419 L C 2.646 179.529 176.870 0.021 0.000 1.073 419 L CA 1.465 56.316 54.840 0.018 0.000 0.745 419 L CB -1.288 40.781 42.059 0.016 0.000 0.894 419 L HN 0.345 nan 8.230 nan 0.000 0.432 420 I N -0.121 120.464 120.570 0.025 0.000 2.118 420 I HA -0.327 3.843 4.170 0.000 0.000 0.241 420 I C 2.733 178.869 176.117 0.032 0.000 1.070 420 I CA 1.255 62.572 61.300 0.029 0.000 1.327 420 I CB -0.979 37.042 38.000 0.035 0.000 1.034 420 I HN 0.285 nan 8.210 nan 0.000 0.405 421 R N 1.415 121.937 120.500 0.036 0.000 2.171 421 R HA -0.207 4.133 4.340 0.000 0.000 0.226 421 R C 2.397 178.715 176.300 0.031 0.000 1.113 421 R CA 2.987 59.111 56.100 0.040 0.000 0.887 421 R CB -1.076 29.250 30.300 0.043 0.000 0.830 421 R HN 0.314 nan 8.270 nan 0.000 0.432 422 V N -1.073 118.856 119.914 0.025 0.000 2.313 422 V HA -0.297 3.823 4.120 0.000 0.000 0.253 422 V C 2.177 178.282 176.094 0.018 0.000 1.070 422 V CA 2.241 64.553 62.300 0.019 0.000 1.057 422 V CB -1.697 30.135 31.823 0.015 0.000 0.653 422 V HN 0.517 nan 8.190 nan 0.000 0.450 423 A N 1.789 124.620 122.820 0.019 0.000 1.851 423 A HA -0.222 4.098 4.320 0.000 0.000 0.216 423 A C 2.669 180.263 177.584 0.017 0.000 1.195 423 A CA 3.448 55.495 52.037 0.017 0.000 0.622 423 A CB -1.427 17.583 19.000 0.017 0.000 0.831 423 A HN 1.159 nan 8.150 nan 0.000 0.444 424 S N -0.302 115.411 115.700 0.021 0.000 2.420 424 S HA -0.218 4.252 4.470 0.000 0.000 0.237 424 S C 1.849 176.460 174.600 0.018 0.000 1.023 424 S CA 1.471 59.684 58.200 0.021 0.000 0.991 424 S CB -0.323 62.894 63.200 0.027 0.000 0.792 424 S HN 0.461 nan 8.310 nan 0.000 0.488 425 K N 2.323 122.734 120.400 0.019 0.000 1.969 425 K HA 0.014 4.334 4.320 0.000 0.000 0.220 425 K C 1.568 178.175 176.600 0.012 0.000 1.040 425 K CA 1.262 57.559 56.287 0.016 0.000 0.981 425 K CB -1.304 31.206 32.500 0.016 0.000 0.746 425 K HN 0.675 nan 8.250 nan 0.000 0.444 426 L N 0.190 121.419 121.223 0.011 0.000 2.544 426 L HA 0.251 4.591 4.340 0.000 0.000 0.240 426 L C 1.010 177.886 176.870 0.008 0.000 1.421 426 L CA -0.168 54.678 54.840 0.009 0.000 1.206 426 L CB -0.482 41.581 42.059 0.007 0.000 1.463 426 L HN 0.016 nan 8.230 nan 0.000 0.437 427 A N -0.403 122.422 122.820 0.009 0.000 2.275 427 A HA 0.056 4.376 4.320 0.000 0.000 0.212 427 A C 1.575 179.162 177.584 0.007 0.000 1.201 427 A CA 0.249 52.291 52.037 0.008 0.000 0.843 427 A CB -0.045 18.960 19.000 0.009 0.000 0.873 427 A HN 0.624 nan 8.150 nan 0.000 0.492 428 D N -0.867 119.537 120.400 0.006 0.000 2.431 428 D HA 0.043 4.683 4.640 0.000 0.000 0.235 428 D C 0.542 176.845 176.300 0.004 0.000 0.980 428 D CA -0.086 53.916 54.000 0.005 0.000 0.912 428 D CB -0.271 40.531 40.800 0.004 0.000 1.056 428 D HN 0.271 nan 8.370 nan 0.000 0.494 429 L N 2.968 124.194 121.223 0.004 0.000 3.505 429 L HA -0.224 4.116 4.340 0.000 0.000 0.392 429 L C 0.081 176.953 176.870 0.004 0.000 1.042 429 L CA 0.815 55.658 54.840 0.004 0.000 0.788 429 L CB -0.127 41.934 42.059 0.004 0.000 1.235 429 L HN -0.062 nan 8.230 nan 0.000 0.694 430 R N 3.665 124.166 120.500 0.003 0.000 2.902 430 R HA 0.867 5.207 4.340 0.000 0.000 0.258 430 R C 0.077 176.378 176.300 0.003 0.000 1.071 430 R CA -0.301 55.801 56.100 0.003 0.000 1.024 430 R CB 1.431 31.732 30.300 0.003 0.000 1.184 430 R HN 0.769 nan 8.270 nan 0.000 0.492 431 G N -0.119 108.683 108.800 0.003 0.000 2.658 431 G HA2 0.377 4.337 3.960 0.000 0.000 0.292 431 G HA3 0.377 4.337 3.960 0.000 0.000 0.292 431 G C -0.233 174.668 174.900 0.002 0.000 1.320 431 G CA -0.371 44.730 45.100 0.003 0.000 0.933 431 G HN 0.266 nan 8.290 nan 0.000 0.476 432 Q N 0.239 120.040 119.800 0.002 0.000 1.809 432 Q HA -0.036 4.304 4.340 0.000 0.000 0.269 432 Q C 1.424 177.426 176.000 0.002 0.000 0.984 432 Q CA 0.861 56.665 55.803 0.002 0.000 0.885 432 Q CB -0.550 28.189 28.738 0.002 0.000 0.933 432 Q HN 0.690 nan 8.270 nan 0.000 0.422 433 N N 1.002 119.703 118.700 0.002 0.000 2.412 433 N HA -0.132 4.608 4.740 0.000 0.000 0.254 433 N C 0.743 176.254 175.510 0.002 0.000 1.232 433 N CA 0.012 53.063 53.050 0.002 0.000 0.880 433 N CB 0.450 38.939 38.487 0.003 0.000 1.076 433 N HN 0.350 nan 8.380 nan 0.000 0.458 434 E N 2.381 122.582 120.200 0.002 0.000 2.160 434 E HA -0.257 4.093 4.350 0.000 0.000 0.195 434 E C 0.326 176.928 176.600 0.003 0.000 0.991 434 E CA 1.256 57.657 56.400 0.002 0.000 0.810 434 E CB 0.120 29.822 29.700 0.002 0.000 0.742 434 E HN 0.632 nan 8.360 nan 0.000 0.466 435 D N 0.329 120.731 120.400 0.003 0.000 2.351 435 D HA -0.144 4.496 4.640 0.000 0.000 0.216 435 D C 1.599 177.902 176.300 0.004 0.000 0.968 435 D CA 0.846 54.848 54.000 0.003 0.000 0.899 435 D CB 0.052 40.854 40.800 0.003 0.000 0.907 435 D HN 0.472 nan 8.370 nan 0.000 0.514 436 Q N -0.254 119.548 119.800 0.003 0.000 2.297 436 Q HA 0.028 4.368 4.340 0.000 0.000 0.203 436 Q C 1.761 177.763 176.000 0.004 0.000 0.931 436 Q CA 0.165 55.971 55.803 0.004 0.000 0.885 436 Q CB 0.181 28.921 28.738 0.003 0.000 0.991 436 Q HN 0.205 nan 8.270 nan 0.000 0.498 437 N N 0.827 119.529 118.700 0.003 0.000 2.043 437 N HA -0.144 4.596 4.740 0.000 0.000 0.193 437 N C 2.049 177.561 175.510 0.004 0.000 1.037 437 N CA 1.515 54.567 53.050 0.004 0.000 0.851 437 N CB -0.429 38.060 38.487 0.003 0.000 1.027 437 N HN 0.044 nan 8.380 nan 0.000 0.422 438 V N 1.345 121.262 119.914 0.004 0.000 2.282 438 V HA -0.207 3.913 4.120 0.000 0.000 0.249 438 V C 2.597 178.694 176.094 0.005 0.000 1.057 438 V CA 2.105 64.408 62.300 0.004 0.000 1.032 438 V CB -1.529 30.296 31.823 0.004 0.000 0.645 438 V HN 0.362 nan 8.190 nan 0.000 0.447 439 G N 0.312 109.115 108.800 0.005 0.000 2.505 439 G HA2 -0.273 3.687 3.960 0.000 0.000 0.220 439 G HA3 -0.273 3.687 3.960 0.000 0.000 0.220 439 G C 1.531 176.434 174.900 0.006 0.000 1.145 439 G CA 1.469 46.572 45.100 0.005 0.000 0.761 439 G HN 0.545 nan 8.290 nan 0.000 0.571 440 I N 0.042 120.615 120.570 0.005 0.000 2.252 440 I HA -0.084 4.086 4.170 0.000 0.000 0.245 440 I C 2.756 178.877 176.117 0.006 0.000 1.102 440 I CA 1.109 62.412 61.300 0.005 0.000 1.385 440 I CB -0.233 37.770 38.000 0.005 0.000 1.064 440 I HN 0.010 nan 8.210 nan 0.000 0.414 441 K N 1.158 121.561 120.400 0.006 0.000 1.977 441 K HA -0.159 4.161 4.320 0.000 0.000 0.218 441 K C 1.982 178.586 176.600 0.007 0.000 1.051 441 K CA 1.587 57.878 56.287 0.006 0.000 0.953 441 K CB -1.020 31.483 32.500 0.006 0.000 0.727 441 K HN 0.020 nan 8.250 nan 0.000 0.445 442 V N 1.175 121.093 119.914 0.007 0.000 2.243 442 V HA -0.416 3.704 4.120 0.000 0.000 0.258 442 V C 2.207 178.306 176.094 0.009 0.000 1.073 442 V CA 2.420 64.724 62.300 0.007 0.000 1.069 442 V CB -1.173 30.654 31.823 0.007 0.000 0.681 442 V HN 0.540 nan 8.190 nan 0.000 0.457 443 A N -0.401 122.424 122.820 0.009 0.000 1.852 443 A HA -0.265 4.055 4.320 0.000 0.000 0.217 443 A C 2.181 179.771 177.584 0.010 0.000 1.215 443 A CA 2.660 54.703 52.037 0.010 0.000 0.641 443 A CB -0.810 18.195 19.000 0.008 0.000 0.838 443 A HN 0.522 nan 8.150 nan 0.000 0.450 444 L N -1.240 119.988 121.223 0.009 0.000 1.970 444 L HA -0.240 4.100 4.340 0.000 0.000 0.212 444 L C 2.851 179.728 176.870 0.011 0.000 1.071 444 L CA 2.085 56.931 54.840 0.010 0.000 0.751 444 L CB -0.588 41.477 42.059 0.009 0.000 0.889 444 L HN 0.535 nan 8.230 nan 0.000 0.432 445 R N 0.433 120.939 120.500 0.010 0.000 2.170 445 R HA -0.206 4.134 4.340 0.000 0.000 0.242 445 R C 2.142 178.448 176.300 0.011 0.000 1.145 445 R CA 1.421 57.527 56.100 0.010 0.000 0.984 445 R CB -0.216 30.090 30.300 0.009 0.000 0.869 445 R HN 0.394 nan 8.270 nan 0.000 0.455 446 A N 0.520 123.347 122.820 0.011 0.000 2.066 446 A HA -0.071 4.249 4.320 0.000 0.000 0.218 446 A C 2.014 179.606 177.584 0.013 0.000 1.157 446 A CA 1.067 53.111 52.037 0.012 0.000 0.670 446 A CB -0.267 18.740 19.000 0.012 0.000 0.804 446 A HN 0.371 nan 8.150 nan 0.000 0.453 447 M N -0.794 118.814 119.600 0.013 0.000 2.476 447 M HA -0.055 4.425 4.480 0.000 0.000 0.262 447 M C 1.412 177.722 176.300 0.016 0.000 1.079 447 M CA 0.899 56.207 55.300 0.015 0.000 1.104 447 M CB -0.286 32.323 32.600 0.014 0.000 1.409 447 M HN 0.432 nan 8.290 nan 0.000 0.467 448 E N 0.821 121.030 120.200 0.015 0.000 2.358 448 E HA -0.015 4.335 4.350 0.000 0.000 0.195 448 E C 2.105 178.715 176.600 0.016 0.000 1.010 448 E CA 0.483 56.893 56.400 0.017 0.000 0.856 448 E CB 0.024 29.733 29.700 0.016 0.000 0.795 448 E HN 0.483 nan 8.360 nan 0.000 0.504 449 A N 2.444 125.273 122.820 0.014 0.000 1.870 449 A HA -0.208 4.112 4.320 0.000 0.000 0.219 449 A C -0.301 177.292 177.584 0.014 0.000 1.224 449 A CA 1.736 53.781 52.037 0.013 0.000 0.650 449 A CB -1.723 17.284 19.000 0.013 0.000 0.836 449 A HN 0.139 nan 8.150 nan 0.000 0.454 450 P HA -0.189 nan 4.420 nan 0.000 0.214 450 P C 1.794 179.103 177.300 0.016 0.000 1.169 450 P CA 1.395 64.502 63.100 0.013 0.000 0.908 450 P CB -0.141 31.566 31.700 0.012 0.000 0.791 451 L N -0.272 120.963 121.223 0.020 0.000 1.956 451 L HA -0.217 4.123 4.340 0.000 0.000 0.216 451 L C 2.389 179.278 176.870 0.032 0.000 1.073 451 L CA 2.007 56.864 54.840 0.029 0.000 0.762 451 L CB -1.086 40.994 42.059 0.035 0.000 0.889 451 L HN -0.210 nan 8.230 nan 0.000 0.433 452 R N -0.985 119.530 120.500 0.024 0.000 2.113 452 R HA -0.287 4.053 4.340 0.000 0.000 0.244 452 R C 2.354 178.666 176.300 0.019 0.000 1.142 452 R CA 1.946 58.058 56.100 0.020 0.000 0.953 452 R CB -0.586 29.722 30.300 0.014 0.000 0.860 452 R HN 0.488 nan 8.270 nan 0.000 0.438 453 Q N 0.724 120.534 119.800 0.017 0.000 2.096 453 Q HA -0.144 4.196 4.340 0.000 0.000 0.204 453 Q C 1.855 177.865 176.000 0.015 0.000 0.982 453 Q CA 1.573 57.384 55.803 0.014 0.000 0.850 453 Q CB -0.055 28.689 28.738 0.010 0.000 0.901 453 Q HN 0.248 nan 8.270 nan 0.000 0.422 454 I N -0.403 120.178 120.570 0.019 0.000 2.090 454 I HA -0.240 3.930 4.170 0.000 0.000 0.236 454 I C 2.260 178.397 176.117 0.034 0.000 1.064 454 I CA 1.010 62.321 61.300 0.018 0.000 1.324 454 I CB -1.558 36.451 38.000 0.015 0.000 1.044 454 I HN 0.096 nan 8.210 nan 0.000 0.399 455 V N 1.213 121.163 119.914 0.059 0.000 2.277 455 V HA -0.310 3.810 4.120 0.000 0.000 0.253 455 V C 2.637 178.756 176.094 0.041 0.000 1.067 455 V CA 1.995 64.341 62.300 0.077 0.000 1.047 455 V CB -0.879 30.976 31.823 0.053 0.000 0.649 455 V HN 0.350 nan 8.190 nan 0.000 0.447 456 L N 0.998 122.237 121.223 0.026 0.000 1.970 456 L HA -0.191 4.149 4.340 0.000 0.000 0.212 456 L C 2.222 179.102 176.870 0.015 0.000 1.071 456 L CA 2.179 57.028 54.840 0.016 0.000 0.751 456 L CB -1.175 40.892 42.059 0.012 0.000 0.889 456 L HN 0.338 nan 8.230 nan 0.000 0.432 457 N N -0.857 117.852 118.700 0.014 0.000 2.272 457 N HA -0.178 4.562 4.740 0.000 0.000 0.185 457 N C 1.664 177.180 175.510 0.010 0.000 1.014 457 N CA 1.639 54.694 53.050 0.009 0.000 0.870 457 N CB -0.757 37.732 38.487 0.005 0.000 0.975 457 N HN 0.467 nan 8.380 nan 0.000 0.433 458 C N -0.703 118.608 119.300 0.018 0.000 2.626 458 C HA 0.322 4.782 4.460 0.000 0.000 0.266 458 C C 1.647 176.651 174.990 0.023 0.000 1.317 458 C CA 0.136 59.166 59.018 0.019 0.000 1.716 458 C CB -0.995 26.765 27.740 0.033 0.000 1.819 458 C HN 0.603 nan 8.230 nan 0.000 0.578 459 G N 1.094 109.906 108.800 0.020 0.000 2.136 459 G HA2 -0.163 3.797 3.960 0.000 0.000 0.242 459 G HA3 -0.163 3.797 3.960 0.000 0.000 0.242 459 G C -0.272 174.640 174.900 0.019 0.000 0.989 459 G CA 0.092 45.202 45.100 0.017 0.000 0.682 459 G HN 0.512 nan 8.290 nan 0.000 0.522 460 E N 0.172 120.387 120.200 0.026 0.000 2.232 460 E HA 0.412 4.762 4.350 0.000 0.000 0.264 460 E C 0.055 176.655 176.600 -0.001 0.000 0.973 460 E CA -0.879 55.531 56.400 0.017 0.000 0.849 460 E CB 0.688 30.410 29.700 0.036 0.000 1.198 460 E HN 0.209 nan 8.360 nan 0.000 0.407 461 E N 2.248 122.436 120.200 -0.019 0.000 2.238 461 E HA 0.050 4.399 4.350 0.000 0.000 0.264 461 E C -1.734 174.847 176.600 -0.031 0.000 1.136 461 E CA -1.416 54.970 56.400 -0.023 0.000 0.929 461 E CB 0.577 30.261 29.700 -0.027 0.000 1.010 461 E HN 0.187 nan 8.360 nan 0.000 0.440 462 P HA -0.193 nan 4.420 nan 0.000 0.208 462 P C 1.565 178.856 177.300 -0.015 0.000 1.200 462 P CA 1.741 64.834 63.100 -0.010 0.000 0.924 462 P CB 0.041 31.741 31.700 0.001 0.000 0.774 463 S N -0.453 115.242 115.700 -0.009 0.000 2.406 463 S HA -0.247 4.223 4.470 0.000 0.000 0.242 463 S C 2.007 176.600 174.600 -0.012 0.000 1.079 463 S CA 2.399 60.594 58.200 -0.007 0.000 1.133 463 S CB -2.062 61.135 63.200 -0.005 0.000 1.005 463 S HN -0.066 nan 8.310 nan 0.000 0.443 464 V N 1.922 121.823 119.914 -0.020 0.000 2.220 464 V HA -0.177 3.943 4.120 0.000 0.000 0.246 464 V C 2.719 178.795 176.094 -0.030 0.000 1.049 464 V CA 1.940 64.224 62.300 -0.025 0.000 1.003 464 V CB -1.083 30.722 31.823 -0.030 0.000 0.634 464 V HN 0.496 nan 8.190 nan 0.000 0.444 465 V N 0.278 120.153 119.914 -0.066 0.000 2.252 465 V HA -0.342 3.778 4.120 0.000 0.000 0.249 465 V C 2.756 178.853 176.094 0.004 0.000 1.056 465 V CA 2.340 64.590 62.300 -0.084 0.000 1.022 465 V CB -1.401 30.242 31.823 -0.299 0.000 0.641 465 V HN 0.594 nan 8.190 nan 0.000 0.445 466 A N 0.583 123.401 122.820 -0.003 0.000 1.881 466 A HA -0.422 3.898 4.320 0.000 0.000 0.219 466 A C 2.024 179.624 177.584 0.027 0.000 1.215 466 A CA 2.964 55.014 52.037 0.021 0.000 0.648 466 A CB -1.193 17.815 19.000 0.013 0.000 0.832 466 A HN 0.723 nan 8.150 nan 0.000 0.455 467 N N -0.323 118.384 118.700 0.012 0.000 2.023 467 N HA -0.249 4.491 4.740 0.000 0.000 0.200 467 N C 1.849 177.366 175.510 0.012 0.000 1.048 467 N CA 4.066 57.121 53.050 0.008 0.000 0.872 467 N CB -0.893 37.591 38.487 -0.005 0.000 1.070 467 N HN 0.571 nan 8.380 nan 0.000 0.441 468 T N -2.025 112.525 114.554 -0.007 0.000 2.822 468 T HA -0.113 4.237 4.350 0.000 0.000 0.270 468 T C 1.906 176.624 174.700 0.030 0.000 1.064 468 T CA 1.732 63.809 62.100 -0.040 0.000 1.131 468 T CB -0.841 67.909 68.868 -0.197 0.000 0.858 468 T HN 0.083 nan 8.240 nan 0.000 0.483 469 V N 1.500 121.458 119.914 0.073 0.000 2.453 469 V HA -0.071 4.049 4.120 0.000 0.000 0.247 469 V C 2.894 179.054 176.094 0.110 0.000 1.048 469 V CA 1.428 63.783 62.300 0.092 0.000 1.049 469 V CB -0.489 31.384 31.823 0.084 0.000 0.672 469 V HN 0.412 nan 8.190 nan 0.000 0.457 470 K N 0.949 121.394 120.400 0.075 0.000 2.074 470 K HA -0.163 4.157 4.320 0.000 0.000 0.209 470 K C 2.284 178.929 176.600 0.076 0.000 1.048 470 K CA 1.670 57.995 56.287 0.064 0.000 0.926 470 K CB -1.181 31.342 32.500 0.039 0.000 0.713 470 K HN 0.528 nan 8.250 nan 0.000 0.444 471 G N 1.455 110.298 108.800 0.072 0.000 2.553 471 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 471 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 471 G C 1.111 176.060 174.900 0.082 0.000 1.195 471 G CA 1.391 46.527 45.100 0.060 0.000 0.779 471 G HN 0.476 nan 8.290 nan 0.000 0.577 472 G N -0.736 108.178 108.800 0.189 0.000 2.466 472 G HA2 0.420 4.380 3.960 0.000 0.000 0.279 472 G HA3 0.420 4.380 3.960 0.000 0.000 0.279 472 G C -0.401 174.587 174.900 0.147 0.000 1.410 472 G CA 0.258 45.461 45.100 0.173 0.000 1.065 472 G HN 0.368 nan 8.290 nan 0.000 0.547 473 D N -2.518 117.962 120.400 0.134 0.000 2.677 473 D HA 0.498 5.138 4.640 0.000 0.000 0.298 473 D C 0.674 177.049 176.300 0.124 0.000 1.250 473 D CA 0.572 54.632 54.000 0.100 0.000 0.888 473 D CB 1.308 42.131 40.800 0.039 0.000 1.397 473 D HN 1.016 nan 8.370 nan 0.000 0.461 474 G N 0.980 109.833 108.800 0.088 0.000 2.566 474 G HA2 -0.294 3.666 3.960 0.000 0.000 0.280 474 G HA3 -0.294 3.666 3.960 0.000 0.000 0.280 474 G C 0.161 175.125 174.900 0.107 0.000 1.225 474 G CA -0.031 45.119 45.100 0.084 0.000 0.966 474 G HN 0.537 nan 8.290 nan 0.000 0.560 475 N N 0.511 119.276 118.700 0.108 0.000 2.346 475 N HA 0.133 4.873 4.740 0.000 0.000 0.225 475 N C -0.040 175.560 175.510 0.149 0.000 1.144 475 N CA 0.154 53.264 53.050 0.100 0.000 0.837 475 N CB 0.152 38.681 38.487 0.069 0.000 1.069 475 N HN 0.475 nan 8.380 nan 0.000 0.487 476 Y N 1.253 121.585 120.300 0.053 0.000 2.436 476 Y HA 0.447 4.997 4.550 0.000 0.000 0.336 476 Y C 0.662 176.627 175.900 0.110 0.000 1.049 476 Y CA -0.340 57.805 58.100 0.076 0.000 1.294 476 Y CB 0.226 38.725 38.460 0.065 0.000 1.179 476 Y HN 0.084 nan 8.280 nan 0.000 0.520 477 G N 4.298 112.884 108.800 -0.357 0.000 2.870 477 G HA2 0.304 4.264 3.960 0.000 0.000 0.299 477 G HA3 0.304 4.264 3.960 0.000 0.000 0.299 477 G C -2.428 172.346 174.900 -0.210 0.000 1.324 477 G CA -0.875 44.065 45.100 -0.266 0.000 0.808 477 G HN 0.537 nan 8.290 nan 0.000 0.535 478 Y N 1.331 121.479 120.300 -0.254 0.000 2.341 478 Y HA 0.609 5.159 4.550 0.000 0.000 0.338 478 Y C -0.413 175.308 175.900 -0.298 0.000 0.965 478 Y CA -1.593 56.240 58.100 -0.446 0.000 1.108 478 Y CB 1.750 39.818 38.460 -0.653 0.000 1.180 478 Y HN 0.421 nan 8.280 nan 0.000 0.458 479 N N 4.837 123.064 118.700 -0.789 0.000 2.437 479 N HA 0.226 4.966 4.740 0.000 0.000 0.243 479 N C 0.448 175.337 175.510 -1.035 0.000 1.041 479 N CA 0.619 53.281 53.050 -0.647 0.000 0.940 479 N CB 1.584 39.851 38.487 -0.366 0.000 1.133 479 N HN 0.960 nan 8.380 nan 0.000 0.506 480 A N 4.161 126.485 122.820 -0.826 0.000 1.933 480 A HA -0.107 4.213 4.320 0.000 0.000 0.218 480 A C 2.072 179.443 177.584 -0.354 0.000 1.175 480 A CA 1.834 53.506 52.037 -0.609 0.000 0.628 480 A CB -0.693 18.165 19.000 -0.235 0.000 0.814 480 A HN 0.736 nan 8.150 nan 0.000 0.444 481 A N -0.714 121.944 122.820 -0.270 0.000 2.024 481 A HA -0.075 4.245 4.320 0.000 0.000 0.220 481 A C 2.206 179.698 177.584 -0.153 0.000 1.164 481 A CA 2.477 54.415 52.037 -0.166 0.000 0.643 481 A CB -0.791 18.131 19.000 -0.130 0.000 0.806 481 A HN 0.907 nan 8.150 nan 0.000 0.451 482 T N -5.100 109.326 114.554 -0.213 0.000 3.004 482 T HA 0.288 4.638 4.350 0.000 0.000 0.266 482 T C 0.269 174.878 174.700 -0.152 0.000 0.986 482 T CA 0.681 62.693 62.100 -0.148 0.000 0.902 482 T CB -0.132 68.663 68.868 -0.122 0.000 1.118 482 T HN 0.541 nan 8.240 nan 0.000 0.522 483 E N 0.797 120.820 120.200 -0.296 0.000 2.791 483 E HA -0.162 4.188 4.350 0.000 0.000 0.271 483 E C -0.768 175.834 176.600 0.002 0.000 1.044 483 E CA 0.647 56.975 56.400 -0.120 0.000 0.814 483 E CB -1.665 28.082 29.700 0.077 0.000 1.400 483 E HN 0.750 nan 8.360 nan 0.000 0.423 484 E N 0.055 120.141 120.200 -0.190 0.000 2.191 484 E HA 0.347 4.697 4.350 0.000 0.000 0.263 484 E C -0.743 175.833 176.600 -0.040 0.000 0.881 484 E CA -0.617 55.776 56.400 -0.012 0.000 0.757 484 E CB 0.996 30.700 29.700 0.007 0.000 1.147 484 E HN 0.050 nan 8.360 nan 0.000 0.414 485 Y N 1.169 121.560 120.300 0.152 0.000 2.299 485 Y HA 0.590 5.140 4.550 0.000 0.000 0.335 485 Y C 1.301 177.251 175.900 0.083 0.000 1.287 485 Y CA 0.483 58.612 58.100 0.048 0.000 1.424 485 Y CB 1.178 39.643 38.460 0.008 0.000 1.326 485 Y HN 0.703 nan 8.280 nan 0.000 0.567 486 G N 0.330 109.242 108.800 0.187 0.000 2.398 486 G HA2 -0.062 3.898 3.960 0.000 0.000 0.251 486 G HA3 -0.062 3.898 3.960 0.000 0.000 0.251 486 G C -1.646 173.422 174.900 0.280 0.000 1.277 486 G CA -1.056 44.248 45.100 0.341 0.000 0.927 486 G HN 0.544 nan 8.290 nan 0.000 0.477 487 N N 1.582 120.401 118.700 0.198 0.000 2.521 487 N HA 0.179 4.919 4.740 0.000 0.000 0.236 487 N C 1.862 177.412 175.510 0.067 0.000 1.067 487 N CA -0.526 52.610 53.050 0.144 0.000 0.939 487 N CB 0.635 39.189 38.487 0.112 0.000 1.201 487 N HN 0.389 nan 8.380 nan 0.000 0.511 488 M N 3.053 122.676 119.600 0.038 0.000 2.116 488 M HA -0.238 4.242 4.480 0.000 0.000 0.255 488 M C 1.660 177.963 176.300 0.004 0.000 1.075 488 M CA 1.508 56.806 55.300 -0.003 0.000 1.087 488 M CB -0.652 31.939 32.600 -0.014 0.000 1.340 488 M HN 0.564 nan 8.290 nan 0.000 0.402 489 I N -0.168 120.415 120.570 0.021 0.000 2.233 489 I HA -0.265 3.905 4.170 0.000 0.000 0.243 489 I C 1.963 178.090 176.117 0.017 0.000 1.093 489 I CA 1.099 62.409 61.300 0.017 0.000 1.380 489 I CB -0.561 37.453 38.000 0.023 0.000 1.067 489 I HN 0.197 nan 8.210 nan 0.000 0.413 490 D N 0.965 121.381 120.400 0.027 0.000 2.123 490 D HA -0.187 4.453 4.640 0.000 0.000 0.196 490 D C 2.106 178.416 176.300 0.016 0.000 0.992 490 D CA 1.474 55.489 54.000 0.025 0.000 0.833 490 D CB -0.255 40.567 40.800 0.037 0.000 0.954 490 D HN 0.309 nan 8.370 nan 0.000 0.455 491 M N -0.525 119.082 119.600 0.012 0.000 2.700 491 M HA 0.075 4.555 4.480 0.000 0.000 0.249 491 M C 1.058 177.348 176.300 -0.016 0.000 1.082 491 M CA 0.776 56.073 55.300 -0.005 0.000 1.077 491 M CB 0.009 32.597 32.600 -0.021 0.000 1.477 491 M HN 0.102 nan 8.290 nan 0.000 0.529 492 G N 1.599 110.394 108.800 -0.008 0.000 2.176 492 G HA2 -0.207 3.753 3.960 0.000 0.000 0.252 492 G HA3 -0.207 3.753 3.960 0.000 0.000 0.252 492 G C -0.177 174.712 174.900 -0.019 0.000 1.024 492 G CA -0.294 44.799 45.100 -0.011 0.000 0.755 492 G HN 0.411 nan 8.290 nan 0.000 0.507 493 I N 1.253 121.809 120.570 -0.023 0.000 2.464 493 I HA 0.575 4.745 4.170 0.000 0.000 0.277 493 I C 0.574 176.680 176.117 -0.020 0.000 1.040 493 I CA -0.913 60.368 61.300 -0.032 0.000 1.153 493 I CB 0.244 38.210 38.000 -0.056 0.000 1.274 493 I HN 0.383 nan 8.210 nan 0.000 0.469 494 L N 2.936 124.152 121.223 -0.012 0.000 2.357 494 L HA 0.881 5.221 4.340 0.000 0.000 0.244 494 L C -1.450 175.419 176.870 -0.002 0.000 1.115 494 L CA -0.834 54.004 54.840 -0.004 0.000 0.919 494 L CB 2.630 44.691 42.059 0.003 0.000 1.532 494 L HN 0.030 nan 8.230 nan 0.000 0.416 495 D N -0.486 119.916 120.400 0.003 0.000 2.990 495 D HA 0.389 5.029 4.640 0.000 0.000 0.227 495 D C -2.821 173.484 176.300 0.008 0.000 1.249 495 D CA -1.053 52.950 54.000 0.004 0.000 0.891 495 D CB 2.573 43.374 40.800 0.003 0.000 1.647 495 D HN 0.297 nan 8.370 nan 0.000 0.530 496 P HA 0.013 nan 4.420 nan 0.000 0.258 496 P C 0.947 178.254 177.300 0.010 0.000 1.187 496 P CA 0.297 63.405 63.100 0.014 0.000 0.767 496 P CB 0.556 32.269 31.700 0.020 0.000 0.770 497 T N 3.168 117.728 114.554 0.010 0.000 2.653 497 T HA -0.300 4.050 4.350 0.000 0.000 0.267 497 T C 1.637 176.338 174.700 0.002 0.000 1.037 497 T CA 1.752 63.856 62.100 0.006 0.000 1.159 497 T CB -0.379 68.493 68.868 0.006 0.000 0.859 497 T HN 0.507 nan 8.240 nan 0.000 0.449 498 K N 0.666 121.068 120.400 0.004 0.000 2.015 498 K HA -0.196 4.124 4.320 0.000 0.000 0.216 498 K C 2.455 179.052 176.600 -0.005 0.000 1.052 498 K CA 2.214 58.501 56.287 -0.001 0.000 0.937 498 K CB -0.579 31.926 32.500 0.008 0.000 0.719 498 K HN 0.377 nan 8.250 nan 0.000 0.446 499 V N -0.554 119.362 119.914 0.004 0.000 2.252 499 V HA -0.267 3.853 4.120 0.000 0.000 0.249 499 V C 1.978 178.076 176.094 0.006 0.000 1.056 499 V CA 2.567 64.871 62.300 0.007 0.000 1.022 499 V CB -1.493 30.333 31.823 0.005 0.000 0.641 499 V HN 0.412 nan 8.190 nan 0.000 0.445 500 T N 0.316 114.872 114.554 0.004 0.000 2.620 500 T HA -0.316 4.034 4.350 0.000 0.000 0.267 500 T C 1.934 176.633 174.700 -0.002 0.000 1.044 500 T CA 2.819 64.922 62.100 0.004 0.000 1.161 500 T CB -0.484 68.386 68.868 0.004 0.000 0.862 500 T HN 0.671 nan 8.240 nan 0.000 0.438 501 R N 0.809 121.301 120.500 -0.013 0.000 2.113 501 R HA -0.156 4.184 4.340 0.000 0.000 0.231 501 R C 2.667 178.935 176.300 -0.054 0.000 1.129 501 R CA 2.117 58.198 56.100 -0.032 0.000 0.915 501 R CB -0.645 29.631 30.300 -0.040 0.000 0.837 501 R HN 0.313 nan 8.270 nan 0.000 0.430 502 S N 0.789 116.447 115.700 -0.070 0.000 2.422 502 S HA -0.348 4.122 4.470 0.000 0.000 0.248 502 S C 2.072 176.656 174.600 -0.027 0.000 1.069 502 S CA 1.786 59.916 58.200 -0.117 0.000 1.214 502 S CB -0.941 62.242 63.200 -0.028 0.000 1.122 502 S HN 0.652 nan 8.310 nan 0.000 0.432 503 A N 2.210 125.063 122.820 0.055 0.000 1.870 503 A HA -0.194 4.126 4.320 0.000 0.000 0.219 503 A C 2.143 179.775 177.584 0.079 0.000 1.224 503 A CA 2.065 54.157 52.037 0.093 0.000 0.650 503 A CB -1.170 17.861 19.000 0.052 0.000 0.836 503 A HN 0.459 nan 8.150 nan 0.000 0.454 504 L N -0.316 120.926 121.223 0.032 0.000 2.013 504 L HA -0.265 4.075 4.340 0.000 0.000 0.212 504 L C 2.570 179.451 176.870 0.017 0.000 1.073 504 L CA 2.736 57.589 54.840 0.022 0.000 0.753 504 L CB -1.214 40.848 42.059 0.005 0.000 0.890 504 L HN 0.619 nan 8.230 nan 0.000 0.432 505 Q N -1.370 118.414 119.800 -0.027 0.000 2.046 505 Q HA -0.238 4.102 4.340 0.000 0.000 0.200 505 Q C 2.109 178.121 176.000 0.020 0.000 0.975 505 Q CA 1.711 57.478 55.803 -0.059 0.000 0.836 505 Q CB -0.326 28.304 28.738 -0.180 0.000 0.896 505 Q HN 0.444 nan 8.270 nan 0.000 0.428 506 Y N 0.672 120.972 120.300 -0.001 0.000 2.165 506 Y HA -0.233 4.317 4.550 0.000 0.000 0.286 506 Y C 2.429 178.328 175.900 -0.001 0.000 1.155 506 Y CA 0.890 58.989 58.100 -0.002 0.000 1.164 506 Y CB -0.894 37.564 38.460 -0.003 0.000 0.978 506 Y HN 0.156 nan 8.280 nan 0.000 0.513 507 A N -0.162 122.760 122.820 0.170 0.000 1.877 507 A HA -0.134 4.186 4.320 0.000 0.000 0.216 507 A C 2.529 180.155 177.584 0.070 0.000 1.186 507 A CA 2.055 54.146 52.037 0.090 0.000 0.620 507 A CB -1.278 17.759 19.000 0.062 0.000 0.822 507 A HN 0.389 nan 8.150 nan 0.000 0.443 508 A N -0.667 122.190 122.820 0.062 0.000 1.908 508 A HA -0.125 4.195 4.320 0.000 0.000 0.218 508 A C 2.438 180.053 177.584 0.051 0.000 1.181 508 A CA 2.292 54.355 52.037 0.043 0.000 0.627 508 A CB -1.131 17.885 19.000 0.027 0.000 0.818 508 A HN 0.630 nan 8.150 nan 0.000 0.445 509 S N -0.726 115.022 115.700 0.080 0.000 2.444 509 S HA -0.213 4.257 4.470 0.000 0.000 0.225 509 S C 1.963 176.601 174.600 0.063 0.000 1.042 509 S CA 2.262 60.514 58.200 0.087 0.000 1.132 509 S CB -0.984 62.317 63.200 0.169 0.000 1.099 509 S HN 0.847 nan 8.310 nan 0.000 0.417 510 V N 2.320 122.273 119.914 0.065 0.000 2.317 510 V HA -0.210 3.910 4.120 0.000 0.000 0.251 510 V C 2.577 178.686 176.094 0.025 0.000 1.065 510 V CA 2.587 64.907 62.300 0.034 0.000 1.049 510 V CB -1.478 30.356 31.823 0.019 0.000 0.651 510 V HN 0.685 nan 8.190 nan 0.000 0.450 511 A N 0.103 122.940 122.820 0.028 0.000 1.842 511 A HA -0.143 4.177 4.320 0.000 0.000 0.217 511 A C 2.482 180.076 177.584 0.016 0.000 1.206 511 A CA 2.420 54.469 52.037 0.020 0.000 0.630 511 A CB -1.770 17.242 19.000 0.021 0.000 0.839 511 A HN 0.751 nan 8.150 nan 0.000 0.447 512 G N -0.635 108.176 108.800 0.019 0.000 2.469 512 G HA2 -0.207 3.753 3.960 0.000 0.000 0.219 512 G HA3 -0.207 3.753 3.960 0.000 0.000 0.219 512 G C 1.438 176.346 174.900 0.013 0.000 1.150 512 G CA 1.314 46.423 45.100 0.015 0.000 0.763 512 G HN 0.377 nan 8.290 nan 0.000 0.561 513 L N 0.329 121.561 121.223 0.016 0.000 2.034 513 L HA -0.142 4.198 4.340 0.000 0.000 0.217 513 L C 3.045 179.919 176.870 0.007 0.000 1.077 513 L CA 1.852 56.700 54.840 0.013 0.000 0.769 513 L CB -0.461 41.608 42.059 0.017 0.000 0.890 513 L HN 0.284 nan 8.230 nan 0.000 0.435 514 M N -1.714 117.889 119.600 0.006 0.000 2.077 514 M HA -0.204 4.276 4.480 0.000 0.000 0.261 514 M C 2.208 178.507 176.300 -0.001 0.000 1.070 514 M CA 1.694 56.994 55.300 0.000 0.000 1.125 514 M CB -0.423 32.177 32.600 0.001 0.000 1.339 514 M HN 0.172 nan 8.290 nan 0.000 0.409 515 I N 0.351 120.922 120.570 0.002 0.000 2.479 515 I HA -0.270 3.900 4.170 0.000 0.000 0.258 515 I C 1.909 178.028 176.117 0.003 0.000 1.165 515 I CA 1.599 62.901 61.300 0.003 0.000 1.422 515 I CB -0.786 37.218 38.000 0.005 0.000 1.087 515 I HN 0.468 nan 8.210 nan 0.000 0.441 516 T N -4.232 110.324 114.554 0.003 0.000 3.092 516 T HA 0.138 4.488 4.350 0.000 0.000 0.258 516 T C 0.664 175.364 174.700 0.001 0.000 1.031 516 T CA -0.251 61.851 62.100 0.004 0.000 0.925 516 T CB -0.240 68.632 68.868 0.006 0.000 1.036 516 T HN -0.018 nan 8.240 nan 0.000 0.544 517 T N 2.694 117.244 114.554 -0.006 0.000 2.832 517 T HA 0.304 4.654 4.350 0.000 0.000 0.296 517 T C 0.557 175.245 174.700 -0.020 0.000 0.968 517 T CA -0.432 61.658 62.100 -0.016 0.000 1.107 517 T CB 1.376 70.230 68.868 -0.023 0.000 0.916 517 T HN 0.108 nan 8.240 nan 0.000 0.517 518 E N 0.351 120.536 120.200 -0.027 0.000 2.541 518 E HA 0.190 4.540 4.350 0.000 0.000 0.219 518 E C 0.069 176.617 176.600 -0.088 0.000 0.922 518 E CA 0.046 56.440 56.400 -0.011 0.000 1.095 518 E CB 0.827 30.551 29.700 0.040 0.000 1.112 518 E HN 0.555 nan 8.360 nan 0.000 0.516 519 C N 0.414 119.613 119.300 -0.169 0.000 2.994 519 C HA 0.726 5.186 4.460 0.000 0.000 0.305 519 C C -1.507 173.341 174.990 -0.236 0.000 1.251 519 C CA -0.516 58.282 59.018 -0.367 0.000 1.478 519 C CB 0.863 28.310 27.740 -0.488 0.000 1.922 519 C HN 0.143 nan 8.230 nan 0.000 0.472 520 M N 4.327 123.777 119.600 -0.249 0.000 2.271 520 M HA 0.535 5.015 4.480 0.000 0.000 0.285 520 M C -1.243 175.143 176.300 0.143 0.000 1.059 520 M CA -0.434 54.856 55.300 -0.017 0.000 0.940 520 M CB 2.061 34.676 32.600 0.025 0.000 1.636 520 M HN 0.379 nan 8.290 nan 0.000 0.460 521 V N 1.150 121.135 119.914 0.119 0.000 2.680 521 V HA 0.923 5.043 4.120 0.000 0.000 0.309 521 V C -0.225 175.876 176.094 0.011 0.000 1.052 521 V CA -0.363 61.985 62.300 0.080 0.000 0.908 521 V CB 2.194 34.023 31.823 0.009 0.000 1.001 521 V HN 0.963 nan 8.190 nan 0.000 0.431 522 T N 1.193 115.698 114.554 -0.080 0.000 2.686 522 T HA 0.273 4.623 4.350 0.000 0.000 0.308 522 T C -1.825 172.772 174.700 -0.171 0.000 1.667 522 T CA -0.590 61.402 62.100 -0.180 0.000 0.987 522 T CB 1.787 70.419 68.868 -0.392 0.000 1.652 522 T HN 0.640 nan 8.240 nan 0.000 0.496 523 D N 1.188 121.492 120.400 -0.160 0.000 2.360 523 D HA 0.410 5.050 4.640 0.000 0.000 0.242 523 D C 0.215 176.430 176.300 -0.143 0.000 1.184 523 D CA -0.100 53.830 54.000 -0.118 0.000 0.930 523 D CB 0.453 41.200 40.800 -0.089 0.000 1.161 523 D HN 0.422 nan 8.370 nan 0.000 0.447 524 L N 2.121 123.292 121.223 -0.088 0.000 2.395 524 L HA 0.172 4.512 4.340 0.000 0.000 0.269 524 L C -0.520 176.309 176.870 -0.070 0.000 1.133 524 L CA -1.314 53.482 54.840 -0.073 0.000 0.812 524 L CB 0.592 42.630 42.059 -0.035 0.000 1.125 524 L HN 0.350 nan 8.230 nan 0.000 0.452 525 P HA -0.092 nan 4.420 nan 0.000 0.213 525 P C 0.126 177.406 177.300 -0.033 0.000 1.170 525 P CA 1.528 64.598 63.100 -0.049 0.000 0.898 525 P CB 0.184 31.865 31.700 -0.032 0.000 0.787 526 K N 0.000 120.387 120.400 -0.022 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543