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 1kp8_1_H DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK 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 0.000 177.581 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 3 A N 1.125 123.945 122.820 -0.001 0.000 2.520 3 A HA 0.525 4.845 4.320 -0.001 0.000 0.235 3 A C 0.196 177.782 177.584 0.003 0.000 1.065 3 A CA 0.458 52.499 52.037 0.006 0.000 0.764 3 A CB -0.055 18.951 19.000 0.011 0.000 1.002 3 A HN 0.627 nan 8.150 nan 0.000 0.502 4 K N 1.078 121.485 120.400 0.012 0.000 2.281 4 K HA 0.442 4.761 4.320 -0.001 0.000 0.242 4 K C -1.268 175.359 176.600 0.045 0.000 0.971 4 K CA -0.734 55.559 56.287 0.010 0.000 0.834 4 K CB 1.684 34.187 32.500 0.005 0.000 1.181 4 K HN 0.729 nan 8.250 nan 0.000 0.435 5 D N 1.070 121.509 120.400 0.065 0.000 2.256 5 D HA 0.363 5.002 4.640 -0.001 0.000 0.240 5 D C -1.251 175.208 176.300 0.264 0.000 1.062 5 D CA -0.556 53.554 54.000 0.185 0.000 0.832 5 D CB 1.346 42.306 40.800 0.267 0.000 1.135 5 D HN 0.049 nan 8.370 nan 0.000 0.484 6 V N 4.418 124.443 119.914 0.186 0.000 2.444 6 V HA 0.429 4.548 4.120 -0.001 0.000 0.294 6 V C 0.052 176.092 176.094 -0.089 0.000 1.022 6 V CA -0.776 61.551 62.300 0.045 0.000 0.850 6 V CB 1.777 33.584 31.823 -0.025 0.000 0.992 6 V HN 0.381 nan 8.190 nan 0.000 0.426 7 K N 3.902 124.142 120.400 -0.267 0.000 2.318 7 K HA 0.763 5.082 4.320 -0.001 0.000 0.249 7 K C -1.518 174.816 176.600 -0.442 0.000 0.942 7 K CA -0.489 55.591 56.287 -0.346 0.000 0.808 7 K CB 2.496 34.610 32.500 -0.643 0.000 1.189 7 K HN 0.449 nan 8.250 nan 0.000 0.428 8 F N -0.149 119.751 119.950 -0.083 0.000 2.598 8 F HA 0.401 4.927 4.527 -0.001 0.000 0.327 8 F C 1.380 177.149 175.800 -0.052 0.000 1.057 8 F CA -0.092 57.880 58.000 -0.045 0.000 0.957 8 F CB 1.511 40.494 39.000 -0.029 0.000 1.278 8 F HN 0.814 nan 8.300 nan 0.000 0.484 9 G N 1.640 110.546 108.800 0.178 0.000 2.672 9 G HA2 -0.437 3.523 3.960 -0.001 0.000 0.356 9 G HA3 -0.437 3.523 3.960 -0.001 0.000 0.356 9 G C 1.292 176.212 174.900 0.033 0.000 1.312 9 G CA 0.996 46.147 45.100 0.085 0.000 0.980 9 G HN 0.705 nan 8.290 nan 0.000 0.540 10 N N 0.938 119.651 118.700 0.021 0.000 2.060 10 N HA -0.153 4.586 4.740 -0.001 0.000 0.195 10 N C 1.813 177.310 175.510 -0.022 0.000 1.028 10 N CA 2.074 55.124 53.050 0.000 0.000 0.861 10 N CB -0.460 38.026 38.487 -0.001 0.000 1.029 10 N HN 0.546 nan 8.380 nan 0.000 0.428 11 D N 0.541 120.922 120.400 -0.032 0.000 2.104 11 D HA -0.111 4.528 4.640 -0.001 0.000 0.194 11 D C 1.831 178.046 176.300 -0.142 0.000 0.994 11 D CA 1.276 55.224 54.000 -0.086 0.000 0.830 11 D CB -0.421 40.320 40.800 -0.099 0.000 0.959 11 D HN 0.310 nan 8.370 nan 0.000 0.452 12 A N 0.630 123.371 122.820 -0.131 0.000 1.898 12 A HA 0.027 4.346 4.320 -0.001 0.000 0.216 12 A C 2.398 179.951 177.584 -0.052 0.000 1.181 12 A CA 2.012 53.967 52.037 -0.137 0.000 0.620 12 A CB -1.100 17.842 19.000 -0.096 0.000 0.819 12 A HN 0.298 nan 8.150 nan 0.000 0.442 13 G N 0.053 108.836 108.800 -0.027 0.000 2.440 13 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.218 13 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.218 13 G C 1.651 176.547 174.900 -0.006 0.000 1.154 13 G CA 2.172 47.268 45.100 -0.007 0.000 0.767 13 G HN 1.050 nan 8.290 nan 0.000 0.552 14 V N -1.302 118.601 119.914 -0.017 0.000 2.427 14 V HA -0.032 4.088 4.120 -0.001 0.000 0.248 14 V C 2.520 178.612 176.094 -0.003 0.000 1.051 14 V CA 2.046 64.340 62.300 -0.011 0.000 1.048 14 V CB -0.465 31.348 31.823 -0.017 0.000 0.666 14 V HN 0.087 nan 8.190 nan 0.000 0.456 15 K N 0.189 120.583 120.400 -0.010 0.000 2.002 15 K HA -0.031 4.288 4.320 -0.001 0.000 0.209 15 K C 2.278 178.908 176.600 0.051 0.000 1.048 15 K CA 2.170 58.474 56.287 0.028 0.000 0.930 15 K CB -0.663 31.859 32.500 0.038 0.000 0.714 15 K HN 0.511 nan 8.250 nan 0.000 0.438 16 M N 0.396 120.023 119.600 0.046 0.000 2.080 16 M HA -0.211 4.269 4.480 -0.001 0.000 0.260 16 M C 2.261 178.578 176.300 0.030 0.000 1.068 16 M CA 1.273 56.599 55.300 0.045 0.000 1.109 16 M CB -0.373 32.249 32.600 0.037 0.000 1.342 16 M HN 0.040 nan 8.290 nan 0.000 0.405 17 L N 0.409 121.644 121.223 0.021 0.000 2.042 17 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 17 L C 2.463 179.343 176.870 0.016 0.000 1.076 17 L CA 1.908 56.758 54.840 0.016 0.000 0.749 17 L CB -0.672 41.393 42.059 0.010 0.000 0.893 17 L HN 0.152 nan 8.230 nan 0.000 0.432 18 R N -0.053 120.458 120.500 0.018 0.000 2.081 18 R HA -0.057 4.282 4.340 -0.001 0.000 0.235 18 R C 2.182 178.494 176.300 0.019 0.000 1.131 18 R CA 1.767 57.877 56.100 0.017 0.000 0.960 18 R CB -1.409 28.903 30.300 0.020 0.000 0.856 18 R HN 0.438 nan 8.270 nan 0.000 0.436 19 G N -0.051 108.764 108.800 0.026 0.000 2.418 19 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.217 19 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.217 19 G C 1.468 176.377 174.900 0.015 0.000 1.158 19 G CA 1.147 46.260 45.100 0.022 0.000 0.771 19 G HN 0.373 nan 8.290 nan 0.000 0.545 20 V N -0.009 119.915 119.914 0.016 0.000 2.515 20 V HA -0.102 4.017 4.120 -0.001 0.000 0.250 20 V C 2.233 178.332 176.094 0.009 0.000 1.058 20 V CA 2.216 64.523 62.300 0.012 0.000 1.064 20 V CB -0.559 31.272 31.823 0.014 0.000 0.675 20 V HN 0.193 nan 8.190 nan 0.000 0.461 21 N N 0.985 119.691 118.700 0.010 0.000 2.120 21 N HA -0.102 4.638 4.740 -0.001 0.000 0.188 21 N C 1.833 177.346 175.510 0.005 0.000 1.024 21 N CA 1.877 54.932 53.050 0.007 0.000 0.852 21 N CB -0.620 37.871 38.487 0.007 0.000 1.003 21 N HN 0.507 nan 8.380 nan 0.000 0.424 22 V N 1.537 121.455 119.914 0.005 0.000 2.295 22 V HA -0.184 3.936 4.120 -0.001 0.000 0.246 22 V C 2.417 178.511 176.094 0.000 0.000 1.049 22 V CA 1.168 63.469 62.300 0.003 0.000 1.024 22 V CB -0.598 31.227 31.823 0.003 0.000 0.648 22 V HN 0.207 nan 8.190 nan 0.000 0.447 23 L N 0.805 122.028 121.223 0.001 0.000 1.994 23 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 23 L C 2.441 179.310 176.870 -0.001 0.000 1.071 23 L CA 2.454 57.293 54.840 -0.002 0.000 0.745 23 L CB -0.777 41.281 42.059 -0.002 0.000 0.892 23 L HN 0.203 nan 8.230 nan 0.000 0.431 24 A N -0.765 122.056 122.820 0.001 0.000 1.933 24 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 24 A C 1.964 179.548 177.584 0.001 0.000 1.175 24 A CA 1.845 53.883 52.037 0.002 0.000 0.628 24 A CB -0.850 18.154 19.000 0.005 0.000 0.814 24 A HN 0.570 nan 8.150 nan 0.000 0.444 25 D N 0.073 120.474 120.400 0.001 0.000 2.144 25 D HA -0.012 4.628 4.640 -0.001 0.000 0.200 25 D C 2.170 178.469 176.300 -0.002 0.000 0.978 25 D CA 1.413 55.413 54.000 0.000 0.000 0.833 25 D CB -0.360 40.440 40.800 0.000 0.000 0.961 25 D HN 0.431 nan 8.370 nan 0.000 0.470 26 A N 0.398 123.216 122.820 -0.003 0.000 1.929 26 A HA -0.081 4.238 4.320 -0.001 0.000 0.216 26 A C 2.468 180.049 177.584 -0.006 0.000 1.176 26 A CA 0.933 52.967 52.037 -0.005 0.000 0.628 26 A CB -0.514 18.482 19.000 -0.007 0.000 0.816 26 A HN 0.136 nan 8.150 nan 0.000 0.444 27 V N 1.380 121.291 119.914 -0.005 0.000 2.323 27 V HA -0.235 3.884 4.120 -0.001 0.000 0.244 27 V C 2.526 178.617 176.094 -0.004 0.000 1.041 27 V CA 2.149 64.446 62.300 -0.006 0.000 1.025 27 V CB -0.702 31.118 31.823 -0.006 0.000 0.656 27 V HN 0.834 nan 8.190 nan 0.000 0.451 28 K N 1.602 122.001 120.400 -0.002 0.000 2.360 28 K HA -0.120 4.200 4.320 -0.001 0.000 0.201 28 K C 1.833 178.433 176.600 -0.001 0.000 1.046 28 K CA 1.775 58.061 56.287 -0.000 0.000 0.945 28 K CB -0.699 31.802 32.500 0.001 0.000 0.750 28 K HN 0.504 nan 8.250 nan 0.000 0.464 29 V N 0.084 119.996 119.914 -0.002 0.000 3.078 29 V HA -0.108 4.012 4.120 -0.001 0.000 0.265 29 V C 1.981 178.074 176.094 -0.003 0.000 1.122 29 V CA 1.675 63.973 62.300 -0.002 0.000 1.141 29 V CB -0.984 30.837 31.823 -0.003 0.000 0.735 29 V HN 0.534 nan 8.190 nan 0.000 0.498 30 T N -2.186 112.366 114.554 -0.004 0.000 3.107 30 T HA 0.291 4.641 4.350 -0.001 0.000 0.249 30 T C 0.493 175.190 174.700 -0.005 0.000 1.096 30 T CA -0.110 61.987 62.100 -0.006 0.000 1.012 30 T CB -0.182 68.681 68.868 -0.008 0.000 0.977 30 T HN 0.390 nan 8.240 nan 0.000 0.527 31 L N 2.679 123.900 121.223 -0.002 0.000 2.410 31 L HA 0.545 4.884 4.340 -0.001 0.000 0.273 31 L C 0.818 177.688 176.870 0.000 0.000 1.152 31 L CA 1.548 56.388 54.840 -0.001 0.000 0.855 31 L CB -0.469 41.592 42.059 0.002 0.000 1.129 31 L HN 0.668 nan 8.230 nan 0.000 0.463 32 G N 4.385 113.184 108.800 -0.002 0.000 2.795 32 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.664 32 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.664 32 G C -1.754 173.141 174.900 -0.009 0.000 1.381 32 G CA -0.314 44.784 45.100 -0.003 0.000 0.853 32 G HN 0.633 nan 8.290 nan 0.000 0.545 33 P HA -0.069 nan 4.420 nan 0.000 0.218 33 P C 0.946 178.236 177.300 -0.016 0.000 1.146 33 P CA 1.435 64.522 63.100 -0.021 0.000 0.813 33 P CB 0.079 31.757 31.700 -0.036 0.000 0.778 34 K N 0.196 120.590 120.400 -0.009 0.000 2.570 34 K HA 0.249 4.568 4.320 -0.001 0.000 0.210 34 K C 1.032 177.631 176.600 -0.002 0.000 1.048 34 K CA -0.219 56.066 56.287 -0.004 0.000 1.167 34 K CB 0.092 32.595 32.500 0.004 0.000 0.892 34 K HN 0.064 nan 8.250 nan 0.000 0.480 35 G N 1.647 110.445 108.800 -0.004 0.000 2.414 35 G HA2 0.012 3.972 3.960 -0.001 0.000 0.236 35 G HA3 0.012 3.972 3.960 -0.001 0.000 0.236 35 G C 0.185 175.083 174.900 -0.004 0.000 1.293 35 G CA -0.306 44.792 45.100 -0.004 0.000 0.869 35 G HN 0.080 nan 8.290 nan 0.000 0.556 36 R N 1.126 121.624 120.500 -0.003 0.000 2.543 36 R HA 0.190 4.529 4.340 -0.001 0.000 0.268 36 R C 0.172 176.469 176.300 -0.005 0.000 1.067 36 R CA -0.677 55.421 56.100 -0.004 0.000 1.142 36 R CB 0.472 30.771 30.300 -0.003 0.000 1.110 36 R HN 0.652 nan 8.270 nan 0.000 0.549 37 N N -0.821 117.875 118.700 -0.005 0.000 2.530 37 N HA 0.283 5.022 4.740 -0.001 0.000 0.277 37 N C -0.909 174.598 175.510 -0.007 0.000 1.168 37 N CA -0.364 52.682 53.050 -0.006 0.000 0.979 37 N CB 1.178 39.661 38.487 -0.006 0.000 1.141 37 N HN 0.093 nan 8.380 nan 0.000 0.459 38 V N 1.839 121.749 119.914 -0.008 0.000 2.540 38 V HA 0.344 4.464 4.120 -0.001 0.000 0.302 38 V C -0.429 175.660 176.094 -0.009 0.000 1.035 38 V CA -0.815 61.480 62.300 -0.008 0.000 0.873 38 V CB 1.832 33.649 31.823 -0.010 0.000 0.992 38 V HN 0.322 nan 8.190 nan 0.000 0.428 39 V N 6.327 126.236 119.914 -0.009 0.000 2.370 39 V HA 0.471 4.590 4.120 -0.001 0.000 0.279 39 V C -0.226 175.860 176.094 -0.012 0.000 1.029 39 V CA -0.414 61.880 62.300 -0.010 0.000 0.870 39 V CB 1.343 33.161 31.823 -0.008 0.000 0.984 39 V HN 0.627 nan 8.190 nan 0.000 0.451 40 L N 3.810 125.025 121.223 -0.014 0.000 2.305 40 L HA 0.520 4.859 4.340 -0.001 0.000 0.284 40 L C -0.087 176.770 176.870 -0.021 0.000 1.013 40 L CA -0.597 54.232 54.840 -0.018 0.000 0.819 40 L CB 1.524 43.572 42.059 -0.018 0.000 1.227 40 L HN 0.497 nan 8.230 nan 0.000 0.417 41 D N 3.352 123.736 120.400 -0.026 0.000 2.399 41 D HA 0.189 4.829 4.640 -0.001 0.000 0.241 41 D C -0.430 175.844 176.300 -0.044 0.000 1.133 41 D CA 0.364 54.344 54.000 -0.033 0.000 0.890 41 D CB 0.955 41.732 40.800 -0.039 0.000 1.201 41 D HN 0.356 nan 8.370 nan 0.000 0.432 42 K N 0.367 120.737 120.400 -0.049 0.000 2.340 42 K HA 0.235 4.555 4.320 -0.001 0.000 0.244 42 K C 1.036 177.556 176.600 -0.133 0.000 0.973 42 K CA -0.601 55.647 56.287 -0.065 0.000 0.828 42 K CB 1.645 34.133 32.500 -0.020 0.000 1.226 42 K HN 0.403 nan 8.250 nan 0.000 0.437 43 S N 0.648 116.198 115.700 -0.249 0.000 2.453 43 S HA 0.022 4.491 4.470 -0.001 0.000 0.231 43 S C 0.257 174.433 174.600 -0.706 0.000 1.005 43 S CA 0.605 58.482 58.200 -0.538 0.000 0.949 43 S CB -0.137 62.599 63.200 -0.773 0.000 0.774 43 S HN 0.372 nan 8.310 nan 0.000 0.510 44 F N 0.992 120.939 119.950 -0.006 0.000 2.569 44 F HA 0.695 5.221 4.527 -0.001 0.000 0.312 44 F C 0.895 176.692 175.800 -0.006 0.000 1.109 44 F CA -0.320 57.677 58.000 -0.006 0.000 0.919 44 F CB 1.515 40.512 39.000 -0.005 0.000 1.211 44 F HN 0.377 nan 8.300 nan 0.000 0.446 45 G N 1.115 110.030 108.800 0.192 0.000 2.584 45 G HA2 0.278 4.238 3.960 -0.001 0.000 0.229 45 G HA3 0.278 4.238 3.960 -0.001 0.000 0.229 45 G C -0.707 174.228 174.900 0.058 0.000 1.320 45 G CA -0.508 44.653 45.100 0.101 0.000 0.891 45 G HN 1.256 nan 8.290 nan 0.000 0.573 46 A N 0.870 123.713 122.820 0.039 0.000 2.340 46 A HA 0.757 5.076 4.320 -0.001 0.000 0.268 46 A C -1.376 176.217 177.584 0.015 0.000 1.100 46 A CA -0.215 51.835 52.037 0.022 0.000 0.803 46 A CB -0.050 18.960 19.000 0.017 0.000 1.043 46 A HN 0.720 nan 8.150 nan 0.000 0.488 47 P HA 0.224 nan 4.420 nan 0.000 0.270 47 P C -0.203 177.097 177.300 -0.001 0.000 1.223 47 P CA 0.049 63.147 63.100 -0.002 0.000 0.785 47 P CB 0.362 32.058 31.700 -0.006 0.000 0.923 48 T N 1.975 116.527 114.554 -0.005 0.000 2.856 48 T HA 0.432 4.782 4.350 -0.001 0.000 0.292 48 T C 0.295 174.991 174.700 -0.007 0.000 0.980 48 T CA -0.078 62.019 62.100 -0.005 0.000 1.091 48 T CB -0.058 68.805 68.868 -0.008 0.000 0.936 48 T HN 0.179 nan 8.240 nan 0.000 0.503 49 I N 2.747 123.313 120.570 -0.006 0.000 2.382 49 I HA 0.435 4.605 4.170 -0.001 0.000 0.286 49 I C 0.328 176.441 176.117 -0.008 0.000 1.002 49 I CA -0.473 60.823 61.300 -0.007 0.000 1.135 49 I CB 1.783 39.780 38.000 -0.005 0.000 1.288 49 I HN 0.529 nan 8.210 nan 0.000 0.448 50 T N 4.497 119.045 114.554 -0.009 0.000 2.883 50 T HA 0.436 4.785 4.350 -0.001 0.000 0.296 50 T C -0.024 174.669 174.700 -0.011 0.000 1.117 50 T CA -0.533 61.561 62.100 -0.011 0.000 1.006 50 T CB 1.808 70.668 68.868 -0.013 0.000 1.191 50 T HN 0.642 nan 8.240 nan 0.000 0.508 51 K N 1.286 121.679 120.400 -0.012 0.000 2.469 51 K HA 0.212 4.531 4.320 -0.001 0.000 0.204 51 K C -0.793 175.798 176.600 -0.014 0.000 1.047 51 K CA -0.238 56.042 56.287 -0.012 0.000 1.072 51 K CB 0.578 33.071 32.500 -0.011 0.000 0.863 51 K HN 0.479 nan 8.250 nan 0.000 0.530 52 D N -0.109 120.282 120.400 -0.016 0.000 2.317 52 D HA 0.145 4.784 4.640 -0.001 0.000 0.234 52 D C 1.240 177.529 176.300 -0.019 0.000 1.112 52 D CA -0.219 53.769 54.000 -0.019 0.000 0.840 52 D CB 1.372 42.158 40.800 -0.023 0.000 1.078 52 D HN 0.142 nan 8.370 nan 0.000 0.486 53 G N 2.438 111.227 108.800 -0.018 0.000 2.469 53 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.219 53 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.219 53 G C 1.481 176.369 174.900 -0.020 0.000 1.150 53 G CA 0.849 45.939 45.100 -0.016 0.000 0.763 53 G HN 0.487 nan 8.290 nan 0.000 0.561 54 V N 1.047 120.946 119.914 -0.024 0.000 2.343 54 V HA -0.186 3.933 4.120 -0.001 0.000 0.247 54 V C 3.101 179.179 176.094 -0.026 0.000 1.051 54 V CA 2.186 64.469 62.300 -0.027 0.000 1.036 54 V CB -0.577 31.226 31.823 -0.033 0.000 0.654 54 V HN 0.370 nan 8.190 nan 0.000 0.451 55 S N -0.123 115.563 115.700 -0.025 0.000 2.383 55 S HA -0.168 4.301 4.470 -0.001 0.000 0.229 55 S C 1.987 176.574 174.600 -0.021 0.000 1.030 55 S CA 1.546 59.733 58.200 -0.023 0.000 1.002 55 S CB -0.216 62.972 63.200 -0.021 0.000 0.829 55 S HN 0.404 nan 8.310 nan 0.000 0.467 56 V N 1.857 121.759 119.914 -0.019 0.000 2.323 56 V HA -0.134 3.985 4.120 -0.001 0.000 0.244 56 V C 2.672 178.755 176.094 -0.019 0.000 1.041 56 V CA 1.565 63.854 62.300 -0.018 0.000 1.025 56 V CB -1.246 30.568 31.823 -0.015 0.000 0.656 56 V HN 0.528 nan 8.190 nan 0.000 0.451 57 A N 0.009 122.818 122.820 -0.019 0.000 1.917 57 A HA -0.269 4.051 4.320 -0.001 0.000 0.219 57 A C 2.348 179.918 177.584 -0.023 0.000 1.182 57 A CA 1.961 53.986 52.037 -0.020 0.000 0.633 57 A CB -0.578 18.410 19.000 -0.021 0.000 0.819 57 A HN 0.497 nan 8.150 nan 0.000 0.448 58 R N -0.613 119.872 120.500 -0.026 0.000 2.159 58 R HA -0.104 4.236 4.340 -0.001 0.000 0.237 58 R C 1.455 177.738 176.300 -0.027 0.000 1.131 58 R CA 1.269 57.352 56.100 -0.028 0.000 0.982 58 R CB -0.150 30.132 30.300 -0.030 0.000 0.868 58 R HN 0.513 nan 8.270 nan 0.000 0.453 59 E N 0.227 120.412 120.200 -0.025 0.000 2.385 59 E HA 0.022 4.371 4.350 -0.001 0.000 0.194 59 E C 0.464 177.049 176.600 -0.024 0.000 1.013 59 E CA 0.240 56.624 56.400 -0.026 0.000 0.866 59 E CB 0.243 29.928 29.700 -0.024 0.000 0.832 59 E HN 0.156 nan 8.360 nan 0.000 0.500 60 I N 2.169 122.726 120.570 -0.021 0.000 2.436 60 I HA 0.121 4.290 4.170 -0.001 0.000 0.289 60 I C 0.362 176.467 176.117 -0.020 0.000 1.083 60 I CA 0.311 61.600 61.300 -0.019 0.000 1.372 60 I CB -0.079 37.912 38.000 -0.015 0.000 1.408 60 I HN -0.042 nan 8.210 nan 0.000 0.516 61 E N 7.017 127.205 120.200 -0.020 0.000 2.311 61 E HA 0.523 4.872 4.350 -0.001 0.000 0.281 61 E C -1.699 174.890 176.600 -0.019 0.000 0.905 61 E CA -0.594 55.793 56.400 -0.022 0.000 0.778 61 E CB 1.969 31.653 29.700 -0.026 0.000 1.240 61 E HN 0.449 nan 8.360 nan 0.000 0.410 62 L N 3.200 124.413 121.223 -0.017 0.000 2.334 62 L HA 0.412 4.752 4.340 -0.001 0.000 0.270 62 L C 1.467 178.329 176.870 -0.014 0.000 1.018 62 L CA -0.542 54.291 54.840 -0.011 0.000 0.811 62 L CB 1.484 43.542 42.059 -0.001 0.000 1.271 62 L HN 0.741 nan 8.230 nan 0.000 0.443 63 E N 0.517 120.712 120.200 -0.008 0.000 2.046 63 E HA -0.163 4.186 4.350 -0.001 0.000 0.190 63 E C 0.484 177.080 176.600 -0.005 0.000 0.982 63 E CA 0.484 56.879 56.400 -0.009 0.000 0.800 63 E CB 0.260 29.957 29.700 -0.004 0.000 0.756 63 E HN 0.661 nan 8.360 nan 0.000 0.449 64 D N 0.694 121.102 120.400 0.014 0.000 2.434 64 D HA -0.069 4.571 4.640 -0.001 0.000 0.252 64 D C 0.692 176.998 176.300 0.010 0.000 1.185 64 D CA 0.076 54.100 54.000 0.039 0.000 0.886 64 D CB 0.954 41.800 40.800 0.077 0.000 1.148 64 D HN 0.033 nan 8.370 nan 0.000 0.483 65 K N 3.597 123.967 120.400 -0.050 0.000 2.103 65 K HA -0.166 4.153 4.320 -0.001 0.000 0.207 65 K C 1.906 178.352 176.600 -0.257 0.000 1.048 65 K CA 1.199 57.364 56.287 -0.204 0.000 0.930 65 K CB -0.302 31.980 32.500 -0.364 0.000 0.716 65 K HN 0.501 nan 8.250 nan 0.000 0.444 66 F N 1.681 121.618 119.950 -0.020 0.000 2.187 66 F HA -0.040 4.487 4.527 -0.001 0.000 0.295 66 F C 2.397 178.186 175.800 -0.019 0.000 1.091 66 F CA 0.949 58.935 58.000 -0.024 0.000 1.308 66 F CB -0.407 38.578 39.000 -0.024 0.000 1.030 66 F HN 0.079 nan 8.300 nan 0.000 0.487 67 E N 0.086 120.386 120.200 0.167 0.000 2.085 67 E HA -0.274 4.076 4.350 -0.001 0.000 0.194 67 E C 1.779 178.404 176.600 0.041 0.000 0.994 67 E CA 1.425 57.877 56.400 0.087 0.000 0.801 67 E CB -0.407 29.331 29.700 0.064 0.000 0.743 67 E HN 0.316 nan 8.360 nan 0.000 0.453 68 N N 0.620 119.329 118.700 0.014 0.000 2.223 68 N HA -0.147 4.592 4.740 -0.001 0.000 0.185 68 N C 1.714 177.214 175.510 -0.017 0.000 1.016 68 N CA 1.166 54.208 53.050 -0.013 0.000 0.863 68 N CB 0.011 38.476 38.487 -0.037 0.000 0.983 68 N HN 0.092 nan 8.380 nan 0.000 0.429 69 M N -0.890 118.699 119.600 -0.019 0.000 2.117 69 M HA -0.016 4.463 4.480 -0.001 0.000 0.262 69 M C 2.154 178.459 176.300 0.008 0.000 1.065 69 M CA 1.587 56.877 55.300 -0.016 0.000 1.114 69 M CB -0.485 32.104 32.600 -0.018 0.000 1.361 69 M HN 0.317 nan 8.290 nan 0.000 0.408 70 G N -0.101 108.716 108.800 0.028 0.000 2.418 70 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.217 70 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.217 70 G C 1.616 176.524 174.900 0.014 0.000 1.158 70 G CA 0.974 46.090 45.100 0.027 0.000 0.771 70 G HN 0.535 nan 8.290 nan 0.000 0.545 71 A N 0.108 122.933 122.820 0.009 0.000 1.877 71 A HA -0.059 4.261 4.320 -0.001 0.000 0.216 71 A C 2.422 180.003 177.584 -0.005 0.000 1.186 71 A CA 1.944 53.982 52.037 0.002 0.000 0.620 71 A CB -0.352 18.647 19.000 -0.002 0.000 0.822 71 A HN 0.306 nan 8.150 nan 0.000 0.443 72 Q N -0.488 119.307 119.800 -0.010 0.000 2.124 72 Q HA -0.107 4.233 4.340 -0.001 0.000 0.202 72 Q C 2.158 178.151 176.000 -0.011 0.000 0.977 72 Q CA 1.531 57.325 55.803 -0.015 0.000 0.850 72 Q CB -0.579 28.146 28.738 -0.022 0.000 0.901 72 Q HN 0.779 nan 8.270 nan 0.000 0.429 73 M N -0.336 119.262 119.600 -0.004 0.000 2.067 73 M HA -0.135 4.344 4.480 -0.001 0.000 0.260 73 M C 2.277 178.579 176.300 0.004 0.000 1.069 73 M CA 1.312 56.613 55.300 0.002 0.000 1.117 73 M CB -0.552 32.053 32.600 0.009 0.000 1.334 73 M HN 0.083 nan 8.290 nan 0.000 0.407 74 V N 0.235 120.153 119.914 0.006 0.000 2.759 74 V HA -0.221 3.899 4.120 -0.001 0.000 0.256 74 V C 2.053 178.147 176.094 -0.001 0.000 1.080 74 V CA 1.791 64.096 62.300 0.009 0.000 1.101 74 V CB -0.500 31.330 31.823 0.012 0.000 0.698 74 V HN 0.411 nan 8.190 nan 0.000 0.477 75 K N -0.301 120.093 120.400 -0.009 0.000 2.209 75 K HA -0.144 4.175 4.320 -0.001 0.000 0.204 75 K C 2.053 178.635 176.600 -0.031 0.000 1.048 75 K CA 1.364 57.639 56.287 -0.019 0.000 0.940 75 K CB -0.034 32.454 32.500 -0.021 0.000 0.729 75 K HN 0.455 nan 8.250 nan 0.000 0.451 76 E N 0.061 120.244 120.200 -0.028 0.000 2.204 76 E HA -0.137 4.212 4.350 -0.001 0.000 0.194 76 E C 1.899 178.457 176.600 -0.069 0.000 0.989 76 E CA 0.690 57.063 56.400 -0.045 0.000 0.824 76 E CB -0.016 29.670 29.700 -0.024 0.000 0.756 76 E HN 0.106 nan 8.360 nan 0.000 0.477 77 V N 1.487 121.384 119.914 -0.029 0.000 2.237 77 V HA -0.281 3.838 4.120 -0.001 0.000 0.245 77 V C 2.462 178.517 176.094 -0.064 0.000 1.046 77 V CA 1.975 64.269 62.300 -0.010 0.000 1.007 77 V CB -0.894 30.953 31.823 0.039 0.000 0.638 77 V HN 0.262 nan 8.190 nan 0.000 0.445 78 A N 0.748 123.541 122.820 -0.045 0.000 1.865 78 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 78 A C 2.557 180.085 177.584 -0.094 0.000 1.191 78 A CA 2.790 54.796 52.037 -0.051 0.000 0.623 78 A CB -0.999 17.981 19.000 -0.033 0.000 0.826 78 A HN 0.706 nan 8.150 nan 0.000 0.444 79 S N 0.217 115.856 115.700 -0.103 0.000 2.359 79 S HA -0.243 4.226 4.470 -0.001 0.000 0.224 79 S C 1.881 176.364 174.600 -0.194 0.000 1.035 79 S CA 1.648 59.778 58.200 -0.116 0.000 1.018 79 S CB -0.467 62.678 63.200 -0.092 0.000 0.876 79 S HN 0.623 nan 8.310 nan 0.000 0.448 80 K N 1.826 122.031 120.400 -0.324 0.000 2.026 80 K HA 0.095 4.415 4.320 -0.001 0.000 0.208 80 K C 2.627 178.825 176.600 -0.670 0.000 1.048 80 K CA 1.155 57.074 56.287 -0.614 0.000 0.929 80 K CB -0.613 31.245 32.500 -1.071 0.000 0.713 80 K HN 0.478 nan 8.250 nan 0.000 0.439 81 A N 1.843 124.361 122.820 -0.503 0.000 1.940 81 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 81 A C 1.962 179.512 177.584 -0.057 0.000 1.176 81 A CA 1.977 53.939 52.037 -0.125 0.000 0.631 81 A CB -0.663 18.355 19.000 0.030 0.000 0.814 81 A HN 0.285 nan 8.150 nan 0.000 0.446 82 N N 0.393 119.040 118.700 -0.089 0.000 2.058 82 N HA -0.147 4.592 4.740 -0.001 0.000 0.191 82 N C 1.203 176.695 175.510 -0.030 0.000 1.037 82 N CA 1.851 54.873 53.050 -0.047 0.000 0.848 82 N CB -0.354 38.099 38.487 -0.057 0.000 1.021 82 N HN 0.398 nan 8.380 nan 0.000 0.422 83 D N -0.166 120.193 120.400 -0.068 0.000 2.149 83 D HA -0.104 4.535 4.640 -0.001 0.000 0.198 83 D C 1.598 177.896 176.300 -0.003 0.000 0.990 83 D CA 1.319 55.294 54.000 -0.042 0.000 0.839 83 D CB -0.375 40.380 40.800 -0.075 0.000 0.948 83 D HN 0.444 nan 8.370 nan 0.000 0.460 84 A N 0.149 122.973 122.820 0.006 0.000 1.935 84 A HA 0.292 4.611 4.320 -0.001 0.000 0.214 84 A C 2.003 179.644 177.584 0.094 0.000 1.178 84 A CA 1.636 53.722 52.037 0.083 0.000 0.640 84 A CB 0.124 19.250 19.000 0.211 0.000 0.825 84 A HN 0.233 nan 8.150 nan 0.000 0.447 85 A N -2.863 120.019 122.820 0.103 0.000 2.427 85 A HA 0.468 4.787 4.320 -0.001 0.000 0.225 85 A C 1.581 179.294 177.584 0.215 0.000 1.257 85 A CA 1.045 53.161 52.037 0.131 0.000 0.985 85 A CB -0.336 18.733 19.000 0.116 0.000 1.136 85 A HN 1.822 nan 8.150 nan 0.000 0.538 86 G N -0.224 108.657 108.800 0.136 0.000 2.225 86 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.267 86 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.267 86 G C -0.212 174.661 174.900 -0.045 0.000 1.024 86 G CA 0.951 46.082 45.100 0.052 0.000 0.784 86 G HN 0.889 nan 8.290 nan 0.000 0.507 87 D N -2.865 117.545 120.400 0.017 0.000 2.742 87 D HA 0.554 5.193 4.640 -0.001 0.000 0.262 87 D C 0.758 177.072 176.300 0.023 0.000 1.240 87 D CA 1.254 55.254 54.000 0.000 0.000 0.752 87 D CB 0.164 40.974 40.800 0.018 0.000 1.290 87 D HN 1.401 nan 8.370 nan 0.000 0.420 88 G N 0.541 109.349 108.800 0.013 0.000 2.147 88 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.244 88 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.244 88 G C 0.971 175.884 174.900 0.021 0.000 1.005 88 G CA 1.678 46.792 45.100 0.023 0.000 0.713 88 G HN 0.982 nan 8.290 nan 0.000 0.515 89 T N -3.537 111.020 114.554 0.006 0.000 2.904 89 T HA -0.048 4.302 4.350 -0.001 0.000 0.267 89 T C 2.227 176.929 174.700 0.003 0.000 1.059 89 T CA 2.397 64.497 62.100 -0.000 0.000 1.137 89 T CB -0.353 68.504 68.868 -0.018 0.000 0.879 89 T HN 0.294 nan 8.240 nan 0.000 0.467 90 T N 1.837 116.392 114.554 0.001 0.000 2.812 90 T HA -0.045 4.304 4.350 -0.001 0.000 0.264 90 T C 2.215 176.920 174.700 0.010 0.000 1.042 90 T CA 1.676 63.777 62.100 0.002 0.000 1.140 90 T CB -0.847 68.021 68.868 -0.001 0.000 0.870 90 T HN 0.468 nan 8.240 nan 0.000 0.445 91 T N 2.132 116.694 114.554 0.014 0.000 2.708 91 T HA -0.057 4.292 4.350 -0.001 0.000 0.266 91 T C 2.406 177.122 174.700 0.026 0.000 1.037 91 T CA 1.245 63.356 62.100 0.019 0.000 1.146 91 T CB -0.558 68.323 68.868 0.022 0.000 0.865 91 T HN 0.428 nan 8.240 nan 0.000 0.435 92 A N 1.153 123.994 122.820 0.035 0.000 1.933 92 A HA -0.133 4.187 4.320 -0.001 0.000 0.218 92 A C 2.540 180.146 177.584 0.038 0.000 1.175 92 A CA 2.100 54.167 52.037 0.049 0.000 0.628 92 A CB -1.170 17.872 19.000 0.069 0.000 0.814 92 A HN 0.489 nan 8.150 nan 0.000 0.444 93 T N -0.351 114.217 114.554 0.024 0.000 2.821 93 T HA -0.099 4.250 4.350 -0.001 0.000 0.267 93 T C 1.980 176.690 174.700 0.016 0.000 1.046 93 T CA 1.686 63.796 62.100 0.017 0.000 1.139 93 T CB -0.570 68.302 68.868 0.008 0.000 0.871 93 T HN 0.643 nan 8.240 nan 0.000 0.454 94 V N 0.369 120.292 119.914 0.015 0.000 2.548 94 V HA 0.026 4.145 4.120 -0.001 0.000 0.249 94 V C 2.169 178.272 176.094 0.015 0.000 1.055 94 V CA 1.258 63.566 62.300 0.013 0.000 1.065 94 V CB -0.945 30.884 31.823 0.010 0.000 0.681 94 V HN 0.436 nan 8.190 nan 0.000 0.462 95 L N 0.686 121.921 121.223 0.020 0.000 2.046 95 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 95 L C 3.065 179.949 176.870 0.022 0.000 1.077 95 L CA 1.757 56.609 54.840 0.021 0.000 0.747 95 L CB -0.891 41.183 42.059 0.026 0.000 0.896 95 L HN 0.451 nan 8.230 nan 0.000 0.432 96 A N -0.528 122.308 122.820 0.027 0.000 1.877 96 A HA -0.294 4.025 4.320 -0.001 0.000 0.216 96 A C 2.259 179.855 177.584 0.020 0.000 1.186 96 A CA 1.905 53.958 52.037 0.027 0.000 0.620 96 A CB -0.639 18.380 19.000 0.033 0.000 0.822 96 A HN 0.507 nan 8.150 nan 0.000 0.443 97 Q N -0.478 119.332 119.800 0.017 0.000 2.096 97 Q HA -0.155 4.184 4.340 -0.001 0.000 0.204 97 Q C 2.155 178.162 176.000 0.012 0.000 0.982 97 Q CA 1.749 57.560 55.803 0.013 0.000 0.850 97 Q CB -0.361 28.383 28.738 0.010 0.000 0.901 97 Q HN 0.594 nan 8.270 nan 0.000 0.422 98 A N 0.746 123.573 122.820 0.012 0.000 1.902 98 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 98 A C 1.981 179.571 177.584 0.011 0.000 1.181 98 A CA 1.392 53.435 52.037 0.010 0.000 0.623 98 A CB -0.589 18.417 19.000 0.010 0.000 0.818 98 A HN 0.492 nan 8.150 nan 0.000 0.443 99 I N -0.573 120.004 120.570 0.013 0.000 2.286 99 I HA -0.203 3.967 4.170 -0.001 0.000 0.245 99 I C 2.280 178.404 176.117 0.012 0.000 1.104 99 I CA 1.099 62.406 61.300 0.012 0.000 1.397 99 I CB -0.325 37.684 38.000 0.014 0.000 1.072 99 I HN 0.279 nan 8.210 nan 0.000 0.417 100 I N 0.431 121.010 120.570 0.014 0.000 2.179 100 I HA -0.270 3.900 4.170 -0.001 0.000 0.242 100 I C 2.587 178.711 176.117 0.011 0.000 1.088 100 I CA 1.531 62.839 61.300 0.014 0.000 1.357 100 I CB -0.588 37.421 38.000 0.016 0.000 1.051 100 I HN 0.226 nan 8.210 nan 0.000 0.409 101 T N 0.315 114.875 114.554 0.010 0.000 2.622 101 T HA -0.180 4.169 4.350 -0.001 0.000 0.266 101 T C 1.816 176.521 174.700 0.007 0.000 1.047 101 T CA 1.407 63.511 62.100 0.008 0.000 1.159 101 T CB -0.202 68.671 68.868 0.007 0.000 0.863 101 T HN 0.295 nan 8.240 nan 0.000 0.422 102 E N 0.574 120.779 120.200 0.007 0.000 2.152 102 E HA 0.009 4.359 4.350 -0.001 0.000 0.192 102 E C 2.537 179.141 176.600 0.007 0.000 0.983 102 E CA 0.914 57.318 56.400 0.006 0.000 0.818 102 E CB -0.772 28.932 29.700 0.006 0.000 0.758 102 E HN 0.575 nan 8.360 nan 0.000 0.467 103 G N 1.377 110.182 108.800 0.008 0.000 2.421 103 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.216 103 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.216 103 G C 1.708 176.614 174.900 0.009 0.000 1.171 103 G CA 0.353 45.458 45.100 0.009 0.000 0.775 103 G HN 0.174 nan 8.290 nan 0.000 0.543 104 L N -0.239 120.989 121.223 0.009 0.000 2.201 104 L HA -0.001 4.338 4.340 -0.001 0.000 0.212 104 L C 2.905 179.779 176.870 0.007 0.000 1.105 104 L CA 0.899 55.744 54.840 0.009 0.000 0.775 104 L CB -0.268 41.796 42.059 0.009 0.000 0.913 104 L HN 0.201 nan 8.230 nan 0.000 0.440 105 K N 0.172 120.576 120.400 0.006 0.000 2.057 105 K HA -0.120 4.199 4.320 -0.001 0.000 0.206 105 K C 2.254 178.856 176.600 0.005 0.000 1.050 105 K CA 1.299 57.589 56.287 0.005 0.000 0.935 105 K CB -0.150 32.353 32.500 0.004 0.000 0.715 105 K HN 0.255 nan 8.250 nan 0.000 0.439 106 A N 0.813 123.637 122.820 0.005 0.000 1.933 106 A HA -0.125 4.195 4.320 -0.001 0.000 0.218 106 A C 2.273 179.860 177.584 0.006 0.000 1.175 106 A CA 1.379 53.419 52.037 0.005 0.000 0.628 106 A CB -0.554 18.449 19.000 0.005 0.000 0.814 106 A HN 0.089 nan 8.150 nan 0.000 0.444 107 V N -0.284 119.634 119.914 0.007 0.000 2.307 107 V HA -0.218 3.902 4.120 -0.001 0.000 0.245 107 V C 3.028 179.126 176.094 0.007 0.000 1.045 107 V CA 1.854 64.159 62.300 0.008 0.000 1.024 107 V CB -1.121 30.708 31.823 0.010 0.000 0.651 107 V HN 0.603 nan 8.190 nan 0.000 0.449 108 A N -0.099 122.724 122.820 0.006 0.000 2.019 108 A HA -0.035 4.285 4.320 -0.001 0.000 0.219 108 A C 2.246 179.831 177.584 0.003 0.000 1.164 108 A CA 1.719 53.758 52.037 0.004 0.000 0.644 108 A CB -0.545 18.457 19.000 0.003 0.000 0.805 108 A HN 0.582 nan 8.150 nan 0.000 0.449 109 A N -1.979 120.843 122.820 0.003 0.000 2.206 109 A HA 0.395 4.714 4.320 -0.001 0.000 0.211 109 A C 1.788 179.373 177.584 0.002 0.000 1.158 109 A CA 1.311 53.349 52.037 0.002 0.000 0.761 109 A CB -0.739 18.263 19.000 0.002 0.000 0.801 109 A HN 1.815 nan 8.150 nan 0.000 0.473 110 G N -2.101 106.700 108.800 0.003 0.000 2.179 110 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.220 110 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.220 110 G C 0.196 175.098 174.900 0.004 0.000 0.990 110 G CA 0.140 45.242 45.100 0.003 0.000 0.646 110 G HN 0.354 nan 8.290 nan 0.000 0.517 111 M N 0.844 120.446 119.600 0.004 0.000 2.240 111 M HA 0.230 4.710 4.480 -0.001 0.000 0.333 111 M C 0.741 177.045 176.300 0.006 0.000 1.110 111 M CA -0.423 54.880 55.300 0.005 0.000 1.173 111 M CB 0.372 32.974 32.600 0.005 0.000 1.458 111 M HN 0.162 nan 8.290 nan 0.000 0.458 112 N N 2.769 121.473 118.700 0.006 0.000 2.416 112 N HA 0.074 4.814 4.740 -0.001 0.000 0.265 112 N C -2.102 173.413 175.510 0.009 0.000 1.195 112 N CA -1.241 51.813 53.050 0.007 0.000 0.943 112 N CB 0.994 39.485 38.487 0.006 0.000 1.115 112 N HN 0.288 nan 8.380 nan 0.000 0.481 113 P HA -0.172 nan 4.420 nan 0.000 0.216 113 P C 1.687 178.994 177.300 0.011 0.000 1.157 113 P CA 1.501 64.608 63.100 0.012 0.000 0.880 113 P CB 0.192 31.901 31.700 0.016 0.000 0.791 114 M N -1.019 118.588 119.600 0.011 0.000 2.159 114 M HA -0.137 4.342 4.480 -0.001 0.000 0.263 114 M C 1.464 177.769 176.300 0.007 0.000 1.063 114 M CA 1.647 56.953 55.300 0.009 0.000 1.110 114 M CB -1.678 30.927 32.600 0.010 0.000 1.374 114 M HN 0.007 nan 8.290 nan 0.000 0.411 115 D N 0.383 120.787 120.400 0.007 0.000 2.149 115 D HA 0.000 4.639 4.640 -0.001 0.000 0.201 115 D C 2.331 178.634 176.300 0.005 0.000 0.972 115 D CA 0.829 54.832 54.000 0.005 0.000 0.835 115 D CB -0.037 40.766 40.800 0.005 0.000 0.966 115 D HN 0.325 nan 8.370 nan 0.000 0.476 116 L N 0.824 122.051 121.223 0.006 0.000 2.046 116 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 116 L C 2.529 179.402 176.870 0.006 0.000 1.077 116 L CA 1.170 56.014 54.840 0.006 0.000 0.747 116 L CB -0.312 41.751 42.059 0.007 0.000 0.896 116 L HN -0.034 nan 8.230 nan 0.000 0.432 117 K N 0.405 120.809 120.400 0.007 0.000 2.057 117 K HA -0.233 4.086 4.320 -0.001 0.000 0.207 117 K C 2.330 178.932 176.600 0.003 0.000 1.049 117 K CA 1.348 57.639 56.287 0.006 0.000 0.931 117 K CB -0.042 32.463 32.500 0.008 0.000 0.714 117 K HN 0.058 nan 8.250 nan 0.000 0.440 118 R N -0.218 120.284 120.500 0.003 0.000 2.081 118 R HA -0.096 4.243 4.340 -0.001 0.000 0.235 118 R C 2.276 178.576 176.300 0.000 0.000 1.131 118 R CA 1.799 57.900 56.100 0.001 0.000 0.960 118 R CB -0.568 29.733 30.300 0.002 0.000 0.856 118 R HN 0.407 nan 8.270 nan 0.000 0.436 119 G N 0.711 109.511 108.800 0.001 0.000 2.402 119 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.216 119 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.216 119 G C 1.444 176.344 174.900 0.000 0.000 1.162 119 G CA 0.846 45.947 45.100 0.001 0.000 0.777 119 G HN 0.268 nan 8.290 nan 0.000 0.539 120 I N 1.042 121.613 120.570 0.001 0.000 2.163 120 I HA -0.152 4.017 4.170 -0.001 0.000 0.243 120 I C 2.274 178.389 176.117 -0.003 0.000 1.085 120 I CA 1.270 62.570 61.300 0.000 0.000 1.347 120 I CB -0.167 37.835 38.000 0.003 0.000 1.044 120 I HN 0.047 nan 8.210 nan 0.000 0.408 121 D N 0.691 121.088 120.400 -0.004 0.000 2.144 121 D HA -0.204 4.435 4.640 -0.001 0.000 0.199 121 D C 2.072 178.366 176.300 -0.010 0.000 0.984 121 D CA 1.145 55.140 54.000 -0.009 0.000 0.834 121 D CB -0.193 40.602 40.800 -0.008 0.000 0.955 121 D HN 0.298 nan 8.370 nan 0.000 0.465 122 K N 0.668 121.064 120.400 -0.006 0.000 2.057 122 K HA -0.066 4.253 4.320 -0.001 0.000 0.206 122 K C 2.025 178.621 176.600 -0.006 0.000 1.050 122 K CA 1.159 57.443 56.287 -0.006 0.000 0.935 122 K CB -0.008 32.490 32.500 -0.003 0.000 0.715 122 K HN 0.004 nan 8.250 nan 0.000 0.439 123 A N 0.679 123.497 122.820 -0.004 0.000 1.908 123 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 123 A C 2.224 179.805 177.584 -0.006 0.000 1.181 123 A CA 1.699 53.734 52.037 -0.003 0.000 0.627 123 A CB -0.656 18.343 19.000 -0.001 0.000 0.818 123 A HN 0.184 nan 8.150 nan 0.000 0.445 124 V N -0.484 119.424 119.914 -0.010 0.000 2.358 124 V HA -0.208 3.911 4.120 -0.001 0.000 0.246 124 V C 2.734 178.817 176.094 -0.019 0.000 1.047 124 V CA 2.409 64.699 62.300 -0.016 0.000 1.035 124 V CB -1.183 30.627 31.823 -0.023 0.000 0.658 124 V HN 0.604 nan 8.190 nan 0.000 0.452 125 T N 0.105 114.648 114.554 -0.019 0.000 2.684 125 T HA -0.177 4.173 4.350 -0.001 0.000 0.267 125 T C 1.919 176.611 174.700 -0.013 0.000 1.036 125 T CA 1.821 63.910 62.100 -0.019 0.000 1.148 125 T CB -0.218 68.640 68.868 -0.016 0.000 0.863 125 T HN 0.296 nan 8.240 nan 0.000 0.436 126 V N 1.507 121.416 119.914 -0.009 0.000 2.453 126 V HA -0.088 4.031 4.120 -0.001 0.000 0.247 126 V C 2.838 178.929 176.094 -0.004 0.000 1.048 126 V CA 1.444 63.740 62.300 -0.005 0.000 1.049 126 V CB -1.156 30.665 31.823 -0.003 0.000 0.672 126 V HN 0.509 nan 8.190 nan 0.000 0.457 127 A N -0.052 122.765 122.820 -0.005 0.000 1.933 127 A HA -0.158 4.161 4.320 -0.001 0.000 0.218 127 A C 2.387 179.968 177.584 -0.005 0.000 1.175 127 A CA 2.069 54.105 52.037 -0.003 0.000 0.628 127 A CB -0.633 18.365 19.000 -0.003 0.000 0.814 127 A HN 0.342 nan 8.150 nan 0.000 0.444 128 V N 0.030 119.938 119.914 -0.011 0.000 2.427 128 V HA -0.253 3.867 4.120 -0.001 0.000 0.248 128 V C 2.375 178.464 176.094 -0.008 0.000 1.051 128 V CA 2.230 64.522 62.300 -0.013 0.000 1.048 128 V CB -0.829 30.980 31.823 -0.024 0.000 0.666 128 V HN 0.648 nan 8.190 nan 0.000 0.456 129 E N -0.083 120.113 120.200 -0.007 0.000 2.077 129 E HA -0.276 4.074 4.350 -0.001 0.000 0.193 129 E C 2.240 178.840 176.600 -0.000 0.000 0.989 129 E CA 1.414 57.811 56.400 -0.004 0.000 0.800 129 E CB -0.131 29.567 29.700 -0.004 0.000 0.746 129 E HN 0.515 nan 8.360 nan 0.000 0.452 130 E N 0.838 121.039 120.200 0.001 0.000 2.150 130 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 130 E C 1.805 178.408 176.600 0.006 0.000 0.985 130 E CA 0.480 56.882 56.400 0.004 0.000 0.814 130 E CB -0.106 29.598 29.700 0.005 0.000 0.752 130 E HN 0.099 nan 8.360 nan 0.000 0.466 131 L N 0.770 121.996 121.223 0.004 0.000 2.093 131 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 131 L C 1.865 178.739 176.870 0.006 0.000 1.085 131 L CA 1.802 56.645 54.840 0.006 0.000 0.755 131 L CB -0.307 41.754 42.059 0.004 0.000 0.904 131 L HN 0.024 nan 8.230 nan 0.000 0.435 132 K N -0.962 119.440 120.400 0.003 0.000 2.097 132 K HA -0.089 4.230 4.320 -0.001 0.000 0.206 132 K C 2.048 178.651 176.600 0.005 0.000 1.049 132 K CA 1.218 57.508 56.287 0.004 0.000 0.933 132 K CB -0.327 32.174 32.500 0.001 0.000 0.717 132 K HN 0.407 nan 8.250 nan 0.000 0.442 133 A N 1.292 124.116 122.820 0.006 0.000 1.972 133 A HA -0.094 4.225 4.320 -0.001 0.000 0.219 133 A C 1.975 179.564 177.584 0.009 0.000 1.169 133 A CA 1.177 53.218 52.037 0.007 0.000 0.635 133 A CB -0.460 18.544 19.000 0.007 0.000 0.810 133 A HN 0.168 nan 8.150 nan 0.000 0.446 134 L N -0.526 120.704 121.223 0.011 0.000 2.492 134 L HA 0.069 4.408 4.340 -0.001 0.000 0.223 134 L C 1.261 178.140 176.870 0.014 0.000 1.132 134 L CA -0.065 54.784 54.840 0.014 0.000 0.850 134 L CB -0.279 41.790 42.059 0.017 0.000 0.966 134 L HN 0.279 nan 8.230 nan 0.000 0.454 135 S N 0.340 116.047 115.700 0.012 0.000 2.549 135 S HA 0.197 4.667 4.470 -0.001 0.000 0.286 135 S C -0.118 174.488 174.600 0.011 0.000 1.314 135 S CA -0.403 57.803 58.200 0.011 0.000 1.062 135 S CB 0.744 63.949 63.200 0.009 0.000 0.865 135 S HN -0.041 nan 8.310 nan 0.000 0.498 136 V N 8.499 128.420 119.914 0.011 0.000 2.394 136 V HA 0.367 4.486 4.120 -0.001 0.000 0.282 136 V C -2.043 174.056 176.094 0.008 0.000 1.031 136 V CA -1.877 60.429 62.300 0.010 0.000 0.881 136 V CB 1.322 33.152 31.823 0.012 0.000 0.982 136 V HN 0.759 nan 8.190 nan 0.000 0.451 137 P HA 0.106 nan 4.420 nan 0.000 0.270 137 P C -0.521 176.782 177.300 0.005 0.000 1.223 137 P CA -0.166 62.937 63.100 0.005 0.000 0.785 137 P CB 0.441 32.144 31.700 0.005 0.000 0.923 138 C N 2.330 121.632 119.300 0.003 0.000 3.445 138 C HA 0.380 4.839 4.460 -0.001 0.000 0.213 138 C C 1.272 176.262 174.990 0.001 0.000 1.319 138 C CA 0.108 59.128 59.018 0.002 0.000 1.402 138 C CB -1.562 26.179 27.740 0.002 0.000 1.819 138 C HN 0.527 nan 8.230 nan 0.000 0.491 139 S N 1.001 116.701 115.700 0.001 0.000 2.510 139 S HA 0.071 4.540 4.470 -0.001 0.000 0.230 139 S C 0.589 175.190 174.600 0.000 0.000 1.066 139 S CA 0.222 58.422 58.200 0.000 0.000 0.941 139 S CB -0.073 63.127 63.200 0.001 0.000 0.829 139 S HN 0.937 nan 8.310 nan 0.000 0.530 140 D N 1.723 122.123 120.400 0.001 0.000 2.358 140 D HA 0.105 4.744 4.640 -0.001 0.000 0.244 140 D C 0.968 177.269 176.300 0.001 0.000 1.163 140 D CA 0.310 54.310 54.000 0.001 0.000 0.945 140 D CB 0.959 41.760 40.800 0.002 0.000 1.152 140 D HN 0.248 nan 8.370 nan 0.000 0.451 141 S N 0.410 116.111 115.700 0.001 0.000 2.419 141 S HA -0.245 4.225 4.470 -0.001 0.000 0.233 141 S C 1.701 176.302 174.600 0.001 0.000 1.016 141 S CA 0.943 59.144 58.200 0.001 0.000 0.974 141 S CB -0.333 62.867 63.200 0.000 0.000 0.786 141 S HN 0.633 nan 8.310 nan 0.000 0.492 142 K N 1.794 122.195 120.400 0.002 0.000 2.026 142 K HA -0.018 4.301 4.320 -0.001 0.000 0.208 142 K C 2.369 178.970 176.600 0.003 0.000 1.048 142 K CA 1.184 57.472 56.287 0.002 0.000 0.929 142 K CB -0.657 31.844 32.500 0.002 0.000 0.713 142 K HN 0.417 nan 8.250 nan 0.000 0.439 143 A N 1.598 124.420 122.820 0.003 0.000 1.877 143 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 143 A C 2.111 179.697 177.584 0.003 0.000 1.186 143 A CA 1.590 53.629 52.037 0.003 0.000 0.620 143 A CB -0.651 18.351 19.000 0.003 0.000 0.822 143 A HN 0.371 nan 8.150 nan 0.000 0.443 144 I N -0.207 120.364 120.570 0.002 0.000 2.264 144 I HA -0.323 3.846 4.170 -0.001 0.000 0.248 144 I C 2.927 179.045 176.117 0.002 0.000 1.111 144 I CA 1.142 62.443 61.300 0.001 0.000 1.382 144 I CB -0.376 37.624 38.000 -0.000 0.000 1.060 144 I HN 0.385 nan 8.210 nan 0.000 0.418 145 A N 0.104 122.925 122.820 0.002 0.000 1.898 145 A HA -0.225 4.094 4.320 -0.001 0.000 0.216 145 A C 2.261 179.847 177.584 0.003 0.000 1.181 145 A CA 1.372 53.410 52.037 0.003 0.000 0.620 145 A CB -0.510 18.491 19.000 0.002 0.000 0.819 145 A HN 0.437 nan 8.150 nan 0.000 0.442 146 Q N -0.510 119.292 119.800 0.003 0.000 2.020 146 Q HA -0.124 4.216 4.340 -0.001 0.000 0.202 146 Q C 2.166 178.169 176.000 0.004 0.000 0.982 146 Q CA 1.808 57.613 55.803 0.003 0.000 0.838 146 Q CB -0.375 28.366 28.738 0.004 0.000 0.899 146 Q HN 0.458 nan 8.270 nan 0.000 0.423 147 V N 0.492 120.410 119.914 0.005 0.000 2.332 147 V HA -0.243 3.876 4.120 -0.001 0.000 0.248 147 V C 2.186 178.286 176.094 0.009 0.000 1.055 147 V CA 1.994 64.298 62.300 0.007 0.000 1.038 147 V CB -1.205 30.623 31.823 0.008 0.000 0.651 147 V HN 0.576 nan 8.190 nan 0.000 0.450 148 G N -0.601 108.204 108.800 0.008 0.000 2.418 148 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.217 148 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.217 148 G C 1.691 176.595 174.900 0.008 0.000 1.158 148 G CA 1.499 46.604 45.100 0.009 0.000 0.771 148 G HN 0.471 nan 8.290 nan 0.000 0.545 149 T N 1.448 116.005 114.554 0.005 0.000 2.674 149 T HA -0.072 4.278 4.350 -0.001 0.000 0.265 149 T C 2.392 177.093 174.700 0.002 0.000 1.039 149 T CA 1.094 63.196 62.100 0.003 0.000 1.150 149 T CB -0.199 68.670 68.868 0.002 0.000 0.864 149 T HN 0.241 nan 8.240 nan 0.000 0.427 150 I N 1.346 121.917 120.570 0.002 0.000 2.208 150 I HA -0.171 3.999 4.170 -0.001 0.000 0.245 150 I C 2.437 178.555 176.117 0.002 0.000 1.097 150 I CA 1.077 62.377 61.300 0.000 0.000 1.363 150 I CB -0.337 37.664 38.000 0.001 0.000 1.051 150 I HN 0.188 nan 8.210 nan 0.000 0.413 151 S N 0.522 116.226 115.700 0.007 0.000 2.515 151 S HA 0.086 4.555 4.470 -0.001 0.000 0.231 151 S C 1.563 176.167 174.600 0.008 0.000 0.987 151 S CA 0.802 59.008 58.200 0.010 0.000 0.936 151 S CB -0.019 63.194 63.200 0.021 0.000 0.766 151 S HN 0.494 nan 8.310 nan 0.000 0.528 152 A N 1.566 124.389 122.820 0.005 0.000 2.577 152 A HA 0.459 4.779 4.320 -0.001 0.000 0.280 152 A C 0.637 178.220 177.584 -0.001 0.000 1.331 152 A CA -0.397 51.642 52.037 0.003 0.000 0.935 152 A CB -0.673 18.329 19.000 0.004 0.000 1.082 152 A HN 0.375 nan 8.150 nan 0.000 0.525 153 N N -0.253 118.445 118.700 -0.003 0.000 2.740 153 N HA -0.232 4.507 4.740 -0.001 0.000 0.248 153 N C 0.192 175.698 175.510 -0.006 0.000 1.062 153 N CA 1.127 54.173 53.050 -0.006 0.000 0.704 153 N CB -1.861 36.621 38.487 -0.007 0.000 0.968 153 N HN 0.561 nan 8.380 nan 0.000 0.547 154 S N -1.744 113.953 115.700 -0.005 0.000 3.482 154 S HA -0.220 4.249 4.470 -0.001 0.000 0.294 154 S C -0.394 174.204 174.600 -0.003 0.000 1.244 154 S CA 0.729 58.926 58.200 -0.005 0.000 0.911 154 S CB -1.136 62.060 63.200 -0.007 0.000 1.070 154 S HN 0.735 nan 8.310 nan 0.000 0.614 155 D N 1.543 121.942 120.400 -0.002 0.000 2.468 155 D HA 0.259 4.898 4.640 -0.001 0.000 0.218 155 D C 1.124 177.424 176.300 -0.000 0.000 1.155 155 D CA -0.272 53.727 54.000 -0.001 0.000 0.924 155 D CB 0.355 41.154 40.800 -0.001 0.000 1.029 155 D HN 0.472 nan 8.370 nan 0.000 0.515 156 E N 0.973 121.172 120.200 -0.000 0.000 2.273 156 E HA -0.164 4.186 4.350 -0.001 0.000 0.198 156 E C 1.355 177.955 176.600 0.001 0.000 1.002 156 E CA 1.044 57.444 56.400 0.000 0.000 0.828 156 E CB 0.279 29.979 29.700 0.000 0.000 0.747 156 E HN 0.463 nan 8.360 nan 0.000 0.491 157 T N 0.762 115.317 114.554 0.001 0.000 2.643 157 T HA -0.147 4.202 4.350 -0.001 0.000 0.264 157 T C 2.112 176.813 174.700 0.002 0.000 1.045 157 T CA 1.379 63.480 62.100 0.001 0.000 1.155 157 T CB -0.271 68.597 68.868 0.000 0.000 0.863 157 T HN 0.013 nan 8.240 nan 0.000 0.420 158 V N 1.448 121.363 119.914 0.002 0.000 2.469 158 V HA -0.129 3.990 4.120 -0.001 0.000 0.251 158 V C 2.812 178.909 176.094 0.004 0.000 1.064 158 V CA 1.894 64.197 62.300 0.004 0.000 1.066 158 V CB -1.414 30.412 31.823 0.005 0.000 0.667 158 V HN 0.621 nan 8.190 nan 0.000 0.461 159 G N -0.311 108.491 108.800 0.004 0.000 2.402 159 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.216 159 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.216 159 G C 1.633 176.535 174.900 0.003 0.000 1.162 159 G CA 1.011 46.114 45.100 0.004 0.000 0.777 159 G HN 0.513 nan 8.290 nan 0.000 0.539 160 K N -0.010 120.392 120.400 0.002 0.000 2.057 160 K HA 0.072 4.391 4.320 -0.001 0.000 0.206 160 K C 2.499 179.099 176.600 0.002 0.000 1.050 160 K CA 0.679 56.967 56.287 0.002 0.000 0.935 160 K CB -0.294 32.207 32.500 0.001 0.000 0.715 160 K HN 0.312 nan 8.250 nan 0.000 0.439 161 L N 1.042 122.266 121.223 0.002 0.000 1.971 161 L HA -0.260 4.079 4.340 -0.001 0.000 0.215 161 L C 2.486 179.357 176.870 0.002 0.000 1.072 161 L CA 1.649 56.490 54.840 0.002 0.000 0.758 161 L CB -0.420 41.641 42.059 0.003 0.000 0.889 161 L HN 0.280 nan 8.230 nan 0.000 0.433 162 I N -0.541 120.031 120.570 0.003 0.000 2.264 162 I HA -0.306 3.863 4.170 -0.001 0.000 0.248 162 I C 2.730 178.848 176.117 0.001 0.000 1.111 162 I CA 1.171 62.473 61.300 0.002 0.000 1.382 162 I CB -0.495 37.507 38.000 0.004 0.000 1.060 162 I HN 0.256 nan 8.210 nan 0.000 0.418 163 A N 0.552 123.372 122.820 0.001 0.000 1.902 163 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 163 A C 2.215 179.799 177.584 -0.000 0.000 1.181 163 A CA 1.618 53.655 52.037 0.000 0.000 0.623 163 A CB -0.494 18.506 19.000 0.001 0.000 0.818 163 A HN 0.465 nan 8.150 nan 0.000 0.443 164 E N -0.163 120.037 120.200 0.000 0.000 2.072 164 E HA -0.044 4.305 4.350 -0.001 0.000 0.190 164 E C 2.336 178.936 176.600 -0.001 0.000 0.982 164 E CA 0.805 57.205 56.400 -0.000 0.000 0.803 164 E CB -0.308 29.392 29.700 0.000 0.000 0.755 164 E HN 0.594 nan 8.360 nan 0.000 0.453 165 A N 1.450 124.269 122.820 -0.001 0.000 1.908 165 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 165 A C 2.173 179.755 177.584 -0.002 0.000 1.181 165 A CA 1.500 53.536 52.037 -0.001 0.000 0.627 165 A CB -0.482 18.518 19.000 -0.001 0.000 0.818 165 A HN 0.147 nan 8.150 nan 0.000 0.445 166 M N -1.167 118.431 119.600 -0.003 0.000 2.394 166 M HA -0.082 4.397 4.480 -0.001 0.000 0.264 166 M C 1.615 177.914 176.300 -0.003 0.000 1.073 166 M CA 1.537 56.834 55.300 -0.004 0.000 1.111 166 M CB -0.362 32.235 32.600 -0.005 0.000 1.401 166 M HN 0.488 nan 8.290 nan 0.000 0.448 167 D N 0.536 120.935 120.400 -0.002 0.000 2.234 167 D HA -0.091 4.548 4.640 -0.001 0.000 0.205 167 D C 1.986 178.285 176.300 -0.001 0.000 0.962 167 D CA 0.975 54.974 54.000 -0.001 0.000 0.855 167 D CB 0.391 41.191 40.800 -0.001 0.000 0.951 167 D HN -0.008 nan 8.370 nan 0.000 0.500 168 K N 0.043 120.442 120.400 -0.001 0.000 1.991 168 K HA -0.009 4.310 4.320 -0.001 0.000 0.208 168 K C 2.025 178.624 176.600 -0.001 0.000 1.038 168 K CA 1.348 57.634 56.287 -0.001 0.000 0.943 168 K CB -0.884 31.616 32.500 -0.001 0.000 0.736 168 K HN 0.234 nan 8.250 nan 0.000 0.440 169 V N -1.529 118.384 119.914 -0.002 0.000 3.633 169 V HA 0.326 4.445 4.120 -0.001 0.000 0.283 169 V C 0.558 176.650 176.094 -0.003 0.000 1.305 169 V CA 0.243 62.542 62.300 -0.002 0.000 1.153 169 V CB -0.903 30.920 31.823 -0.001 0.000 0.950 169 V HN 0.453 nan 8.190 nan 0.000 0.432 170 G N 1.936 110.734 108.800 -0.003 0.000 2.716 170 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.686 170 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.686 170 G C 0.186 175.083 174.900 -0.006 0.000 1.337 170 G CA -0.071 45.027 45.100 -0.004 0.000 0.829 170 G HN 0.747 nan 8.290 nan 0.000 0.599 171 K N -0.004 120.392 120.400 -0.007 0.000 2.442 171 K HA -0.001 4.318 4.320 -0.001 0.000 0.198 171 K C 1.036 177.628 176.600 -0.013 0.000 1.044 171 K CA 1.620 57.901 56.287 -0.010 0.000 0.948 171 K CB 0.279 32.774 32.500 -0.009 0.000 0.762 171 K HN 0.438 nan 8.250 nan 0.000 0.472 172 E N 1.207 121.401 120.200 -0.010 0.000 2.481 172 E HA 0.088 4.437 4.350 -0.001 0.000 0.198 172 E C 0.840 177.435 176.600 -0.010 0.000 1.027 172 E CA 0.106 56.499 56.400 -0.011 0.000 0.900 172 E CB 0.712 30.408 29.700 -0.007 0.000 0.993 172 E HN 0.415 nan 8.360 nan 0.000 0.482 173 G N 0.905 109.700 108.800 -0.008 0.000 2.599 173 G HA2 0.286 4.245 3.960 -0.001 0.000 0.264 173 G HA3 0.286 4.245 3.960 -0.001 0.000 0.264 173 G C 0.128 175.023 174.900 -0.009 0.000 1.200 173 G CA -0.478 44.618 45.100 -0.006 0.000 0.896 173 G HN -0.060 nan 8.290 nan 0.000 0.536 174 V N 0.670 120.581 119.914 -0.005 0.000 2.583 174 V HA 0.380 4.500 4.120 -0.001 0.000 0.287 174 V C 0.317 176.406 176.094 -0.007 0.000 1.051 174 V CA 0.158 62.453 62.300 -0.008 0.000 1.010 174 V CB 0.749 32.570 31.823 -0.003 0.000 0.988 174 V HN 0.443 nan 8.190 nan 0.000 0.478 175 I N 3.590 124.154 120.570 -0.010 0.000 2.569 175 I HA 0.519 4.689 4.170 -0.001 0.000 0.290 175 I C -0.244 175.871 176.117 -0.004 0.000 1.088 175 I CA -0.198 61.098 61.300 -0.006 0.000 1.047 175 I CB 2.583 40.579 38.000 -0.006 0.000 1.237 175 I HN 0.578 nan 8.210 nan 0.000 0.421 176 T N 4.314 118.868 114.554 -0.001 0.000 2.907 176 T HA 0.680 5.029 4.350 -0.001 0.000 0.290 176 T C -0.762 173.940 174.700 0.003 0.000 1.066 176 T CA -0.697 61.404 62.100 0.001 0.000 1.012 176 T CB 2.597 71.464 68.868 -0.001 0.000 1.184 176 T HN 0.459 nan 8.240 nan 0.000 0.522 177 V N -0.783 119.134 119.914 0.005 0.000 2.638 177 V HA 0.838 4.958 4.120 -0.001 0.000 0.306 177 V C -1.062 175.035 176.094 0.004 0.000 1.052 177 V CA -0.790 61.513 62.300 0.005 0.000 0.885 177 V CB 1.725 33.553 31.823 0.008 0.000 0.999 177 V HN 0.936 nan 8.190 nan 0.000 0.424 178 E N 2.021 122.222 120.200 0.002 0.000 2.392 178 E HA 0.433 4.782 4.350 -0.001 0.000 0.269 178 E C -1.417 175.183 176.600 0.000 0.000 0.924 178 E CA -1.053 55.347 56.400 0.000 0.000 0.784 178 E CB 1.879 31.578 29.700 -0.001 0.000 1.292 178 E HN 0.792 nan 8.360 nan 0.000 0.447 179 D N 0.861 121.260 120.400 -0.001 0.000 2.449 179 D HA 0.116 4.755 4.640 -0.001 0.000 0.236 179 D C 0.142 176.441 176.300 -0.001 0.000 1.149 179 D CA 0.469 54.468 54.000 -0.001 0.000 0.878 179 D CB 0.911 41.711 40.800 -0.001 0.000 1.198 179 D HN 0.481 nan 8.370 nan 0.000 0.446 180 G N -0.599 108.201 108.800 -0.001 0.000 2.528 180 G HA2 0.266 4.225 3.960 -0.001 0.000 0.289 180 G HA3 0.266 4.225 3.960 -0.001 0.000 0.289 180 G C 1.054 175.953 174.900 -0.002 0.000 1.192 180 G CA -0.279 44.821 45.100 -0.001 0.000 0.921 180 G HN 0.440 nan 8.290 nan 0.000 0.512 181 T N -2.954 111.599 114.554 -0.002 0.000 3.088 181 T HA 0.405 4.754 4.350 -0.001 0.000 0.259 181 T C 1.092 175.791 174.700 -0.002 0.000 1.122 181 T CA 0.734 62.832 62.100 -0.002 0.000 1.095 181 T CB -0.056 68.810 68.868 -0.002 0.000 0.930 181 T HN 2.092 nan 8.240 nan 0.000 0.508 182 G N 1.546 110.345 108.800 -0.002 0.000 3.160 182 G HA2 0.333 4.293 3.960 -0.001 0.000 0.573 182 G HA3 0.333 4.293 3.960 -0.001 0.000 0.573 182 G C -0.795 174.104 174.900 -0.001 0.000 1.286 182 G CA -0.697 44.402 45.100 -0.001 0.000 1.151 182 G HN 0.763 nan 8.290 nan 0.000 0.555 183 L N 0.940 122.163 121.223 -0.001 0.000 0.917 183 L HA -0.158 4.182 4.340 -0.001 0.000 0.366 183 L C 0.308 177.177 176.870 -0.001 0.000 1.004 183 L CA 2.228 57.067 54.840 -0.001 0.000 1.219 183 L CB -0.709 41.350 42.059 -0.001 0.000 0.252 183 L HN 1.987 nan 8.230 nan 0.000 0.192 184 Q N 2.059 121.859 119.800 -0.001 0.000 3.195 184 Q HA -0.086 4.254 4.340 -0.001 0.000 0.038 184 Q C -0.655 175.344 176.000 -0.000 0.000 1.688 184 Q CA 0.933 56.735 55.803 -0.001 0.000 0.257 184 Q CB -0.108 28.630 28.738 -0.001 0.000 0.583 184 Q HN 0.678 nan 8.270 nan 0.000 0.322 185 D N 2.519 122.919 120.400 -0.000 0.000 2.354 185 D HA 0.308 4.948 4.640 -0.001 0.000 0.247 185 D C -0.083 176.217 176.300 -0.000 0.000 1.138 185 D CA 0.069 54.069 54.000 0.000 0.000 0.958 185 D CB 0.812 41.612 40.800 0.000 0.000 1.144 185 D HN 0.321 nan 8.370 nan 0.000 0.458 186 E N -0.003 120.196 120.200 -0.000 0.000 2.272 186 E HA 0.457 4.807 4.350 -0.001 0.000 0.269 186 E C -1.200 175.400 176.600 -0.000 0.000 0.877 186 E CA -0.848 55.552 56.400 -0.000 0.000 0.755 186 E CB 2.436 32.136 29.700 -0.001 0.000 1.192 186 E HN 0.059 nan 8.360 nan 0.000 0.422 187 L N 4.251 125.474 121.223 -0.000 0.000 2.406 187 L HA 0.420 4.759 4.340 -0.001 0.000 0.270 187 L C -1.812 175.058 176.870 -0.000 0.000 0.982 187 L CA -0.296 54.544 54.840 -0.000 0.000 0.843 187 L CB 1.092 43.151 42.059 0.000 0.000 1.225 187 L HN 0.496 nan 8.230 nan 0.000 0.412 188 D N 4.096 124.496 120.400 -0.000 0.000 2.732 188 D HA 0.401 5.040 4.640 -0.001 0.000 0.229 188 D C -1.065 175.235 176.300 -0.000 0.000 1.152 188 D CA -0.490 53.510 54.000 -0.000 0.000 0.854 188 D CB 2.321 43.121 40.800 -0.001 0.000 1.590 188 D HN 0.224 nan 8.370 nan 0.000 0.468 189 V N 1.013 120.927 119.914 0.000 0.000 2.407 189 V HA 0.418 4.537 4.120 -0.001 0.000 0.278 189 V C 0.768 176.863 176.094 0.001 0.000 1.037 189 V CA -0.639 61.661 62.300 0.001 0.000 0.900 189 V CB 1.012 32.835 31.823 0.001 0.000 0.983 189 V HN 0.595 nan 8.190 nan 0.000 0.459 190 V N 1.753 121.669 119.914 0.002 0.000 3.166 190 V HA 0.689 4.808 4.120 -0.001 0.000 0.317 190 V C -0.170 175.927 176.094 0.005 0.000 1.136 190 V CA -0.988 61.314 62.300 0.002 0.000 1.035 190 V CB 2.096 33.920 31.823 0.001 0.000 1.110 190 V HN 0.675 nan 8.190 nan 0.000 0.450 191 E N 1.565 121.769 120.200 0.005 0.000 2.166 191 E HA 0.601 4.950 4.350 -0.001 0.000 0.279 191 E C 0.165 176.773 176.600 0.013 0.000 1.095 191 E CA 0.709 57.114 56.400 0.008 0.000 0.888 191 E CB 0.794 30.498 29.700 0.008 0.000 1.041 191 E HN 1.131 nan 8.360 nan 0.000 0.414 192 G N 1.707 110.517 108.800 0.017 0.000 2.645 192 G HA2 0.669 4.629 3.960 -0.001 0.000 0.292 192 G HA3 0.669 4.629 3.960 -0.001 0.000 0.292 192 G C -1.195 173.728 174.900 0.037 0.000 1.415 192 G CA -0.604 44.511 45.100 0.026 0.000 0.785 192 G HN 0.387 nan 8.290 nan 0.000 0.483 193 M N -0.194 119.440 119.600 0.058 0.000 2.603 193 M HA 0.564 5.044 4.480 -0.001 0.000 0.275 193 M C -2.313 174.055 176.300 0.112 0.000 1.226 193 M CA -0.657 54.694 55.300 0.085 0.000 0.870 193 M CB 2.539 35.201 32.600 0.104 0.000 1.716 193 M HN 0.633 nan 8.290 nan 0.000 0.482 194 Q N 3.425 123.296 119.800 0.118 0.000 2.285 194 Q HA 0.594 4.933 4.340 -0.001 0.000 0.269 194 Q C -2.179 173.905 176.000 0.141 0.000 1.030 194 Q CA -0.595 55.244 55.803 0.060 0.000 0.788 194 Q CB 1.913 30.644 28.738 -0.012 0.000 1.266 194 Q HN 0.587 nan 8.270 nan 0.000 0.438 195 F N 0.037 119.981 119.950 -0.009 0.000 2.579 195 F HA 0.545 5.071 4.527 -0.001 0.000 0.324 195 F C -0.381 175.412 175.800 -0.011 0.000 1.058 195 F CA -1.290 56.705 58.000 -0.007 0.000 0.944 195 F CB 0.958 39.956 39.000 -0.004 0.000 1.245 195 F HN 0.266 nan 8.300 nan 0.000 0.477 196 D N 3.189 123.670 120.400 0.135 0.000 2.551 196 D HA 0.195 4.834 4.640 -0.001 0.000 0.223 196 D C -0.304 176.026 176.300 0.049 0.000 1.144 196 D CA 0.280 54.298 54.000 0.030 0.000 1.025 196 D CB -0.092 40.739 40.800 0.052 0.000 1.085 196 D HN 0.310 nan 8.370 nan 0.000 0.506 197 R N 0.652 121.104 120.500 -0.079 0.000 2.508 197 R HA 0.421 4.761 4.340 -0.001 0.000 0.283 197 R C 0.179 176.373 176.300 -0.177 0.000 1.120 197 R CA -0.658 55.425 56.100 -0.029 0.000 0.958 197 R CB 1.807 32.238 30.300 0.219 0.000 1.215 197 R HN 0.276 nan 8.270 nan 0.000 0.427 198 G N 1.194 109.883 108.800 -0.186 0.000 2.557 198 G HA2 0.427 4.387 3.960 -0.001 0.000 0.302 198 G HA3 0.427 4.387 3.960 -0.001 0.000 0.302 198 G C -0.543 174.225 174.900 -0.220 0.000 1.311 198 G CA -0.532 44.373 45.100 -0.325 0.000 1.030 198 G HN 0.436 nan 8.290 nan 0.000 0.509 199 Y N -1.213 119.093 120.300 0.011 0.000 2.597 199 Y HA 0.268 4.817 4.550 -0.001 0.000 0.336 199 Y C 1.151 177.129 175.900 0.130 0.000 1.216 199 Y CA -1.025 57.110 58.100 0.058 0.000 1.463 199 Y CB 0.317 38.871 38.460 0.156 0.000 1.303 199 Y HN 0.173 nan 8.280 nan 0.000 0.576 200 L N 2.766 124.217 121.223 0.380 0.000 2.675 200 L HA 0.083 4.423 4.340 -0.001 0.000 0.239 200 L C 0.107 177.237 176.870 0.433 0.000 1.151 200 L CA 0.806 55.851 54.840 0.342 0.000 0.905 200 L CB -0.986 41.236 42.059 0.271 0.000 1.057 200 L HN 0.920 nan 8.230 nan 0.000 0.435 201 S N -3.959 112.092 115.700 0.586 0.000 2.744 201 S HA 0.266 4.735 4.470 -0.001 0.000 0.284 201 S C -2.967 171.682 174.600 0.082 0.000 0.979 201 S CA -1.227 57.170 58.200 0.328 0.000 0.870 201 S CB 0.949 64.268 63.200 0.198 0.000 1.094 201 S HN -0.264 nan 8.310 nan 0.000 0.458 202 P HA 0.420 nan 4.420 nan 0.000 0.327 202 P C 0.304 177.305 177.300 -0.499 0.000 1.342 202 P CA 0.527 63.243 63.100 -0.641 0.000 0.761 202 P CB -0.128 31.168 31.700 -0.673 0.000 1.675 203 Y N -4.899 115.207 120.300 -0.322 0.000 2.802 203 Y HA -0.310 4.240 4.550 -0.001 0.000 0.485 203 Y C 1.884 177.639 175.900 -0.241 0.000 1.190 203 Y CA 1.508 59.431 58.100 -0.296 0.000 2.757 203 Y CB -3.069 35.154 38.460 -0.395 0.000 0.919 203 Y HN 0.108 nan 8.280 nan 0.000 0.540 204 F N 0.598 120.535 119.950 -0.021 0.000 2.250 204 F HA -0.080 4.446 4.527 -0.001 0.000 0.301 204 F C 1.477 177.224 175.800 -0.088 0.000 1.077 204 F CA 0.871 58.849 58.000 -0.037 0.000 1.348 204 F CB -0.597 38.386 39.000 -0.027 0.000 1.040 204 F HN -0.001 nan 8.300 nan 0.000 0.509 205 I N 2.608 123.152 120.570 -0.044 0.000 2.818 205 I HA -0.162 4.007 4.170 -0.001 0.000 0.285 205 I C 0.872 176.981 176.117 -0.013 0.000 1.160 205 I CA 0.222 61.475 61.300 -0.079 0.000 1.370 205 I CB -0.152 37.726 38.000 -0.203 0.000 1.440 205 I HN 0.197 nan 8.210 nan 0.000 0.555 206 N N 5.334 124.049 118.700 0.025 0.000 2.373 206 N HA -0.018 4.721 4.740 -0.001 0.000 0.181 206 N C 0.094 175.612 175.510 0.014 0.000 1.082 206 N CA 0.278 53.344 53.050 0.026 0.000 0.885 206 N CB 0.295 38.807 38.487 0.041 0.000 0.977 206 N HN 0.447 nan 8.380 nan 0.000 0.462 207 K N 1.006 121.411 120.400 0.010 0.000 2.679 207 K HA 0.239 4.558 4.320 -0.001 0.000 0.188 207 K C -2.108 174.492 176.600 -0.001 0.000 1.055 207 K CA -1.712 54.579 56.287 0.006 0.000 1.006 207 K CB 2.029 34.537 32.500 0.013 0.000 1.317 207 K HN 0.018 nan 8.250 nan 0.000 0.584 208 P HA -0.177 nan 4.420 nan 0.000 0.223 208 P C 0.274 177.566 177.300 -0.013 0.000 1.144 208 P CA 1.153 64.241 63.100 -0.021 0.000 0.783 208 P CB 0.504 32.189 31.700 -0.026 0.000 0.771 209 E N -0.134 120.061 120.200 -0.007 0.000 2.077 209 E HA -0.097 4.252 4.350 -0.001 0.000 0.193 209 E C 1.623 178.218 176.600 -0.007 0.000 0.989 209 E CA 1.732 58.128 56.400 -0.008 0.000 0.800 209 E CB -1.039 28.658 29.700 -0.005 0.000 0.746 209 E HN 0.270 nan 8.360 nan 0.000 0.452 210 T N -1.438 113.117 114.554 0.002 0.000 3.054 210 T HA 0.275 4.625 4.350 -0.001 0.000 0.255 210 T C 1.107 175.822 174.700 0.026 0.000 1.035 210 T CA 0.278 62.384 62.100 0.010 0.000 0.941 210 T CB 0.708 69.587 68.868 0.018 0.000 1.026 210 T HN 0.335 nan 8.240 nan 0.000 0.533 211 G N 1.794 110.606 108.800 0.020 0.000 2.258 211 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.274 211 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.274 211 G C 0.156 175.116 174.900 0.100 0.000 1.021 211 G CA 0.265 45.385 45.100 0.033 0.000 0.798 211 G HN 0.915 nan 8.290 nan 0.000 0.507 212 A N -1.615 121.256 122.820 0.084 0.000 2.437 212 A HA 0.938 5.257 4.320 -0.001 0.000 0.292 212 A C -0.244 177.396 177.584 0.093 0.000 1.173 212 A CA -0.222 51.898 52.037 0.138 0.000 0.785 212 A CB 1.939 20.998 19.000 0.098 0.000 1.351 212 A HN 1.159 nan 8.150 nan 0.000 0.431 213 V N 0.707 120.695 119.914 0.124 0.000 2.513 213 V HA 0.566 4.686 4.120 -0.001 0.000 0.299 213 V C -0.152 175.975 176.094 0.055 0.000 1.035 213 V CA -0.396 61.957 62.300 0.089 0.000 0.889 213 V CB 1.330 33.226 31.823 0.121 0.000 0.988 213 V HN 0.917 nan 8.190 nan 0.000 0.440 214 E N 4.050 124.274 120.200 0.039 0.000 2.246 214 E HA 0.691 5.040 4.350 -0.001 0.000 0.266 214 E C -1.828 174.781 176.600 0.016 0.000 0.880 214 E CA -0.598 55.815 56.400 0.021 0.000 0.762 214 E CB 1.800 31.509 29.700 0.016 0.000 1.180 214 E HN 0.626 nan 8.360 nan 0.000 0.416 215 L N 3.115 124.341 121.223 0.005 0.000 2.381 215 L HA 0.523 4.862 4.340 -0.001 0.000 0.268 215 L C -0.549 176.311 176.870 -0.017 0.000 0.997 215 L CA -0.851 53.987 54.840 -0.003 0.000 0.818 215 L CB 2.164 44.220 42.059 -0.004 0.000 1.310 215 L HN 0.516 nan 8.230 nan 0.000 0.416 216 E N 1.051 121.235 120.200 -0.027 0.000 2.158 216 E HA 0.329 4.678 4.350 -0.001 0.000 0.271 216 E C -0.454 176.103 176.600 -0.073 0.000 0.911 216 E CA -0.603 55.773 56.400 -0.040 0.000 0.767 216 E CB 1.705 31.387 29.700 -0.030 0.000 1.120 216 E HN 0.599 nan 8.360 nan 0.000 0.405 217 S N 1.961 117.608 115.700 -0.088 0.000 3.550 217 S HA -0.132 4.338 4.470 -0.001 0.000 0.372 217 S C -2.144 172.313 174.600 -0.239 0.000 0.966 217 S CA 0.419 58.530 58.200 -0.147 0.000 1.229 217 S CB -1.410 61.705 63.200 -0.140 0.000 0.917 217 S HN 0.487 nan 8.310 nan 0.000 0.496 218 P HA 0.596 nan 4.420 nan 0.000 0.283 218 P C -0.238 176.914 177.300 -0.246 0.000 1.278 218 P CA -0.769 62.212 63.100 -0.199 0.000 0.834 218 P CB 0.622 32.285 31.700 -0.060 0.000 1.150 219 F N -0.075 119.881 119.950 0.010 0.000 2.379 219 F HA 0.422 4.949 4.527 -0.001 0.000 0.332 219 F C 0.837 176.642 175.800 0.009 0.000 1.096 219 F CA -0.363 57.642 58.000 0.009 0.000 1.105 219 F CB 0.649 39.654 39.000 0.008 0.000 1.189 219 F HN 0.015 nan 8.300 nan 0.000 0.515 220 I N 4.578 125.281 120.570 0.222 0.000 2.411 220 I HA 0.213 4.382 4.170 -0.001 0.000 0.284 220 I C -1.094 175.078 176.117 0.093 0.000 1.012 220 I CA -0.881 60.493 61.300 0.123 0.000 1.119 220 I CB 1.510 39.563 38.000 0.090 0.000 1.261 220 I HN 0.266 nan 8.210 nan 0.000 0.448 221 L N 8.324 129.589 121.223 0.069 0.000 2.281 221 L HA 0.379 4.718 4.340 -0.001 0.000 0.285 221 L C -0.654 176.230 176.870 0.025 0.000 1.074 221 L CA 0.230 55.092 54.840 0.037 0.000 0.817 221 L CB 0.525 42.600 42.059 0.028 0.000 1.168 221 L HN 0.482 nan 8.230 nan 0.000 0.434 222 L N 6.864 128.094 121.223 0.012 0.000 2.426 222 L HA 0.549 4.888 4.340 -0.001 0.000 0.255 222 L C 0.174 177.040 176.870 -0.007 0.000 1.080 222 L CA -0.380 54.458 54.840 -0.003 0.000 0.960 222 L CB 0.591 42.643 42.059 -0.012 0.000 1.326 222 L HN 0.787 nan 8.230 nan 0.000 0.441 223 A N 0.778 123.597 122.820 -0.002 0.000 2.276 223 A HA 0.279 4.599 4.320 -0.001 0.000 0.300 223 A C -0.054 177.528 177.584 -0.004 0.000 1.235 223 A CA -0.424 51.612 52.037 -0.001 0.000 0.867 223 A CB 0.444 19.448 19.000 0.006 0.000 1.137 223 A HN 0.594 nan 8.150 nan 0.000 0.527 224 D N 2.390 122.786 120.400 -0.007 0.000 2.741 224 D HA 0.350 4.990 4.640 -0.001 0.000 0.233 224 D C 0.073 176.374 176.300 0.001 0.000 1.160 224 D CA 0.175 54.170 54.000 -0.008 0.000 1.003 224 D CB -0.585 40.206 40.800 -0.015 0.000 1.064 224 D HN 0.651 nan 8.370 nan 0.000 0.503 225 K N -0.851 119.553 120.400 0.008 0.000 2.999 225 K HA 0.264 4.583 4.320 -0.001 0.000 0.295 225 K C -1.247 175.365 176.600 0.021 0.000 1.082 225 K CA -1.165 55.130 56.287 0.014 0.000 0.816 225 K CB 0.623 33.130 32.500 0.011 0.000 1.492 225 K HN -0.172 nan 8.250 nan 0.000 0.362 226 K N 0.845 121.260 120.400 0.025 0.000 2.144 226 K HA 0.448 4.767 4.320 -0.001 0.000 0.270 226 K C -0.549 176.068 176.600 0.028 0.000 1.005 226 K CA -0.541 55.764 56.287 0.030 0.000 0.932 226 K CB 0.844 33.363 32.500 0.032 0.000 1.021 226 K HN 0.372 nan 8.250 nan 0.000 0.462 227 I N 2.069 122.659 120.570 0.034 0.000 2.420 227 I HA 0.076 4.245 4.170 -0.001 0.000 0.282 227 I C 0.322 176.461 176.117 0.036 0.000 1.019 227 I CA -0.074 61.246 61.300 0.033 0.000 1.130 227 I CB 1.760 39.781 38.000 0.035 0.000 1.262 227 I HN 0.642 nan 8.210 nan 0.000 0.454 228 S N 3.304 119.022 115.700 0.030 0.000 2.566 228 S HA 0.190 4.659 4.470 -0.001 0.000 0.234 228 S C 0.705 175.321 174.600 0.026 0.000 1.075 228 S CA 0.025 58.243 58.200 0.030 0.000 0.926 228 S CB 0.211 63.426 63.200 0.025 0.000 0.811 228 S HN 0.579 nan 8.310 nan 0.000 0.518 229 N N 1.950 120.663 118.700 0.022 0.000 2.434 229 N HA 0.277 5.016 4.740 -0.001 0.000 0.272 229 N C 0.530 176.052 175.510 0.020 0.000 1.040 229 N CA -0.087 52.974 53.050 0.018 0.000 0.956 229 N CB 1.648 40.143 38.487 0.014 0.000 1.108 229 N HN 0.177 nan 8.380 nan 0.000 0.481 230 I N 2.832 123.414 120.570 0.020 0.000 2.493 230 I HA -0.214 3.955 4.170 -0.001 0.000 0.254 230 I C 1.956 178.082 176.117 0.015 0.000 1.160 230 I CA 0.971 62.283 61.300 0.021 0.000 1.445 230 I CB 0.209 38.221 38.000 0.020 0.000 1.086 230 I HN 0.425 nan 8.210 nan 0.000 0.433 231 R N 0.935 121.442 120.500 0.011 0.000 2.134 231 R HA -0.267 4.072 4.340 -0.001 0.000 0.248 231 R C 2.010 178.313 176.300 0.006 0.000 1.143 231 R CA 2.382 58.486 56.100 0.008 0.000 0.957 231 R CB -0.654 29.650 30.300 0.006 0.000 0.867 231 R HN 0.562 nan 8.270 nan 0.000 0.441 232 E N -0.079 120.126 120.200 0.008 0.000 2.118 232 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 232 E C 2.022 178.625 176.600 0.005 0.000 0.992 232 E CA 1.203 57.607 56.400 0.006 0.000 0.804 232 E CB -0.047 29.657 29.700 0.008 0.000 0.741 232 E HN 0.284 nan 8.360 nan 0.000 0.458 233 M N 0.229 119.835 119.600 0.010 0.000 2.236 233 M HA -0.020 4.459 4.480 -0.001 0.000 0.266 233 M C 2.359 178.663 176.300 0.006 0.000 1.070 233 M CA 0.928 56.234 55.300 0.010 0.000 1.137 233 M CB -0.831 31.782 32.600 0.021 0.000 1.378 233 M HN 0.139 nan 8.290 nan 0.000 0.426 234 L N 0.695 121.922 121.223 0.007 0.000 2.058 234 L HA -0.277 4.063 4.340 -0.001 0.000 0.226 234 L C -0.184 176.684 176.870 -0.003 0.000 1.089 234 L CA 2.086 56.928 54.840 0.004 0.000 0.799 234 L CB -2.689 39.372 42.059 0.003 0.000 0.900 234 L HN 0.207 nan 8.230 nan 0.000 0.442 235 P HA -0.120 nan 4.420 nan 0.000 0.215 235 P C 1.855 179.139 177.300 -0.026 0.000 1.157 235 P CA 1.566 64.656 63.100 -0.016 0.000 0.863 235 P CB 0.015 31.705 31.700 -0.017 0.000 0.787 236 V N 0.354 120.252 119.914 -0.028 0.000 2.453 236 V HA -0.168 3.951 4.120 -0.001 0.000 0.247 236 V C 2.891 178.963 176.094 -0.037 0.000 1.048 236 V CA 1.272 63.545 62.300 -0.045 0.000 1.049 236 V CB -1.249 30.550 31.823 -0.040 0.000 0.672 236 V HN -0.021 nan 8.190 nan 0.000 0.457 237 L N -0.111 121.106 121.223 -0.010 0.000 2.079 237 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 237 L C 2.584 179.457 176.870 0.005 0.000 1.081 237 L CA 1.769 56.613 54.840 0.008 0.000 0.752 237 L CB -0.602 41.469 42.059 0.020 0.000 0.896 237 L HN 0.420 nan 8.230 nan 0.000 0.433 238 E N 0.056 120.254 120.200 -0.005 0.000 2.107 238 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 238 E C 2.327 178.918 176.600 -0.015 0.000 0.982 238 E CA 0.953 57.351 56.400 -0.004 0.000 0.809 238 E CB -0.155 29.541 29.700 -0.006 0.000 0.756 238 E HN 0.478 nan 8.360 nan 0.000 0.459 239 A N 1.028 123.823 122.820 -0.041 0.000 1.972 239 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 239 A C 2.373 179.905 177.584 -0.086 0.000 1.169 239 A CA 1.094 53.087 52.037 -0.073 0.000 0.635 239 A CB -0.340 18.592 19.000 -0.113 0.000 0.810 239 A HN 0.121 nan 8.150 nan 0.000 0.446 240 V N -0.724 119.153 119.914 -0.062 0.000 3.052 240 V HA -0.034 4.086 4.120 -0.001 0.000 0.254 240 V C 2.838 178.981 176.094 0.082 0.000 1.100 240 V CA 1.095 63.402 62.300 0.012 0.000 1.112 240 V CB -0.769 31.089 31.823 0.058 0.000 0.738 240 V HN 0.579 nan 8.190 nan 0.000 0.469 241 A N 0.114 122.960 122.820 0.044 0.000 1.940 241 A HA -0.158 4.162 4.320 -0.001 0.000 0.219 241 A C 1.588 179.205 177.584 0.054 0.000 1.176 241 A CA 1.319 53.384 52.037 0.047 0.000 0.631 241 A CB -0.207 18.810 19.000 0.028 0.000 0.814 241 A HN 0.540 nan 8.150 nan 0.000 0.446 242 K N -2.926 117.502 120.400 0.046 0.000 2.318 242 K HA 0.462 4.781 4.320 -0.001 0.000 0.243 242 K C 1.089 177.747 176.600 0.096 0.000 1.047 242 K CA 0.142 56.460 56.287 0.052 0.000 0.937 242 K CB 0.146 32.664 32.500 0.030 0.000 1.225 242 K HN 0.684 nan 8.250 nan 0.000 0.506 243 A N -0.065 122.813 122.820 0.096 0.000 3.768 243 A HA -0.221 4.098 4.320 -0.001 0.000 0.270 243 A C 1.103 178.759 177.584 0.121 0.000 1.019 243 A CA 1.490 53.611 52.037 0.140 0.000 1.058 243 A CB -2.497 16.663 19.000 0.268 0.000 1.085 243 A HN 1.343 nan 8.150 nan 0.000 0.857 244 G N -0.987 107.873 108.800 0.099 0.000 2.412 244 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.297 244 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.297 244 G C -0.083 174.852 174.900 0.058 0.000 0.965 244 G CA 1.465 46.607 45.100 0.070 0.000 1.134 244 G HN 1.156 nan 8.290 nan 0.000 0.511 245 K N 0.543 121.003 120.400 0.100 0.000 2.371 245 K HA 0.515 4.835 4.320 -0.001 0.000 0.251 245 K C -2.285 174.363 176.600 0.080 0.000 0.934 245 K CA -2.054 54.245 56.287 0.020 0.000 0.798 245 K CB 2.971 35.363 32.500 -0.180 0.000 1.204 245 K HN 0.078 nan 8.250 nan 0.000 0.427 246 P HA 0.149 nan 4.420 nan 0.000 0.274 246 P C -1.165 176.191 177.300 0.094 0.000 1.246 246 P CA -0.586 62.547 63.100 0.056 0.000 0.795 246 P CB 0.757 32.471 31.700 0.022 0.000 1.006 247 L N 1.504 122.786 121.223 0.098 0.000 2.386 247 L HA 0.548 4.887 4.340 -0.001 0.000 0.271 247 L C -1.356 175.546 176.870 0.052 0.000 0.993 247 L CA -0.994 53.915 54.840 0.115 0.000 0.819 247 L CB 1.623 43.756 42.059 0.122 0.000 1.294 247 L HN 0.170 nan 8.230 nan 0.000 0.414 248 L N 6.057 127.312 121.223 0.053 0.000 2.298 248 L HA 0.592 4.931 4.340 -0.001 0.000 0.284 248 L C -1.182 175.703 176.870 0.024 0.000 1.013 248 L CA -0.232 54.617 54.840 0.015 0.000 0.824 248 L CB 1.100 43.177 42.059 0.030 0.000 1.221 248 L HN 0.423 nan 8.230 nan 0.000 0.418 249 I N 7.200 127.764 120.570 -0.010 0.000 2.301 249 I HA 0.254 4.423 4.170 -0.001 0.000 0.292 249 I C 0.049 176.180 176.117 0.023 0.000 1.046 249 I CA -0.055 61.250 61.300 0.008 0.000 1.282 249 I CB 0.820 38.819 38.000 -0.001 0.000 1.409 249 I HN 0.579 nan 8.210 nan 0.000 0.484 250 I N 6.216 126.809 120.570 0.038 0.000 2.523 250 I HA 0.398 4.568 4.170 -0.001 0.000 0.281 250 I C 0.527 176.656 176.117 0.019 0.000 1.126 250 I CA -0.169 61.159 61.300 0.047 0.000 1.187 250 I CB 0.706 38.732 38.000 0.043 0.000 1.478 250 I HN 0.603 nan 8.210 nan 0.000 0.522 251 A N 3.238 126.075 122.820 0.028 0.000 2.284 251 A HA 0.401 4.720 4.320 -0.001 0.000 0.317 251 A C 1.161 178.762 177.584 0.028 0.000 1.120 251 A CA -0.480 51.570 52.037 0.022 0.000 0.900 251 A CB 1.009 20.025 19.000 0.027 0.000 1.319 251 A HN 0.638 nan 8.150 nan 0.000 0.494 252 E N -0.841 119.374 120.200 0.025 0.000 2.209 252 E HA -0.130 4.220 4.350 -0.001 0.000 0.196 252 E C -0.475 176.154 176.600 0.048 0.000 0.993 252 E CA 1.544 57.964 56.400 0.034 0.000 0.819 252 E CB 0.105 29.824 29.700 0.032 0.000 0.745 252 E HN 0.650 nan 8.360 nan 0.000 0.477 253 D N -2.357 118.072 120.400 0.048 0.000 2.898 253 D HA 0.038 4.677 4.640 -0.001 0.000 0.254 253 D C -1.983 174.352 176.300 0.058 0.000 1.107 253 D CA -0.459 53.575 54.000 0.058 0.000 0.729 253 D CB 1.223 42.056 40.800 0.056 0.000 1.734 253 D HN -0.135 nan 8.370 nan 0.000 0.452 254 V N 2.967 122.924 119.914 0.073 0.000 2.304 254 V HA 0.400 4.520 4.120 -0.001 0.000 0.278 254 V C 0.168 176.312 176.094 0.084 0.000 1.018 254 V CA -0.604 61.744 62.300 0.079 0.000 0.814 254 V CB 1.099 32.982 31.823 0.099 0.000 1.021 254 V HN 0.442 nan 8.190 nan 0.000 0.440 255 E N 2.627 122.866 120.200 0.066 0.000 2.345 255 E HA 0.374 4.723 4.350 -0.001 0.000 0.259 255 E C 1.458 178.093 176.600 0.058 0.000 1.117 255 E CA 0.171 56.607 56.400 0.059 0.000 0.913 255 E CB 1.026 30.753 29.700 0.045 0.000 1.057 255 E HN 0.663 nan 8.360 nan 0.000 0.432 256 G N 1.695 110.525 108.800 0.051 0.000 2.864 256 G HA2 -0.449 3.511 3.960 -0.001 0.000 0.250 256 G HA3 -0.449 3.511 3.960 -0.001 0.000 0.250 256 G C 1.292 176.214 174.900 0.036 0.000 1.154 256 G CA 1.439 46.564 45.100 0.042 0.000 0.755 256 G HN 0.671 nan 8.290 nan 0.000 0.697 257 E N 1.021 121.238 120.200 0.028 0.000 2.072 257 E HA -0.275 4.075 4.350 -0.001 0.000 0.218 257 E C 2.968 179.586 176.600 0.030 0.000 1.051 257 E CA 2.156 58.570 56.400 0.023 0.000 0.880 257 E CB -0.916 28.796 29.700 0.020 0.000 0.783 257 E HN 0.419 nan 8.360 nan 0.000 0.473 258 A N 0.937 123.780 122.820 0.040 0.000 1.877 258 A HA -0.189 4.131 4.320 -0.001 0.000 0.216 258 A C 2.372 180.000 177.584 0.073 0.000 1.186 258 A CA 1.803 53.870 52.037 0.051 0.000 0.620 258 A CB -0.866 18.166 19.000 0.052 0.000 0.822 258 A HN 0.357 nan 8.150 nan 0.000 0.443 259 L N -0.134 121.142 121.223 0.089 0.000 2.012 259 L HA -0.114 4.226 4.340 -0.001 0.000 0.210 259 L C 2.730 179.649 176.870 0.082 0.000 1.073 259 L CA 2.361 57.280 54.840 0.133 0.000 0.748 259 L CB -0.886 41.259 42.059 0.142 0.000 0.891 259 L HN 0.369 nan 8.230 nan 0.000 0.431 260 A N -1.601 121.240 122.820 0.035 0.000 1.917 260 A HA -0.265 4.055 4.320 -0.001 0.000 0.219 260 A C 2.269 179.835 177.584 -0.030 0.000 1.182 260 A CA 2.576 54.603 52.037 -0.017 0.000 0.633 260 A CB -1.321 17.669 19.000 -0.016 0.000 0.819 260 A HN 0.558 nan 8.150 nan 0.000 0.448 261 T N 0.521 115.077 114.554 0.003 0.000 2.708 261 T HA -0.093 4.256 4.350 -0.001 0.000 0.266 261 T C 1.825 176.535 174.700 0.016 0.000 1.037 261 T CA 1.481 63.583 62.100 0.003 0.000 1.146 261 T CB -0.448 68.432 68.868 0.019 0.000 0.865 261 T HN 0.388 nan 8.240 nan 0.000 0.435 262 L N 0.909 122.172 121.223 0.067 0.000 2.042 262 L HA -0.117 4.223 4.340 -0.001 0.000 0.210 262 L C 2.663 179.582 176.870 0.081 0.000 1.076 262 L CA 0.974 55.895 54.840 0.135 0.000 0.749 262 L CB -0.846 41.373 42.059 0.267 0.000 0.893 262 L HN 0.158 nan 8.230 nan 0.000 0.432 263 V N -0.886 118.993 119.914 -0.059 0.000 2.427 263 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 263 V C 2.349 178.303 176.094 -0.232 0.000 1.051 263 V CA 1.368 63.495 62.300 -0.288 0.000 1.048 263 V CB -0.172 31.417 31.823 -0.390 0.000 0.666 263 V HN 0.212 nan 8.190 nan 0.000 0.456 264 V N 0.432 120.253 119.914 -0.154 0.000 2.346 264 V HA -0.200 3.920 4.120 -0.001 0.000 0.244 264 V C 2.057 178.108 176.094 -0.072 0.000 1.037 264 V CA 2.182 64.404 62.300 -0.130 0.000 1.029 264 V CB -0.900 30.864 31.823 -0.097 0.000 0.663 264 V HN 0.600 nan 8.190 nan 0.000 0.454 265 N N 0.732 119.414 118.700 -0.031 0.000 2.080 265 N HA -0.165 4.574 4.740 -0.001 0.000 0.189 265 N C 1.882 177.399 175.510 0.011 0.000 1.036 265 N CA 1.849 54.897 53.050 -0.002 0.000 0.846 265 N CB -0.270 38.229 38.487 0.021 0.000 1.015 265 N HN 0.627 nan 8.380 nan 0.000 0.423 266 T N -1.040 113.535 114.554 0.035 0.000 3.051 266 T HA -0.054 4.295 4.350 -0.001 0.000 0.269 266 T C 1.643 176.356 174.700 0.021 0.000 1.127 266 T CA 0.625 62.762 62.100 0.061 0.000 1.107 266 T CB -0.049 68.909 68.868 0.150 0.000 0.898 266 T HN 0.049 nan 8.240 nan 0.000 0.517 267 M N 0.798 120.380 119.600 -0.029 0.000 2.447 267 M HA 0.287 4.766 4.480 -0.001 0.000 0.264 267 M C 1.769 178.050 176.300 -0.030 0.000 1.095 267 M CA 0.979 56.247 55.300 -0.053 0.000 1.125 267 M CB -0.012 32.513 32.600 -0.125 0.000 1.389 267 M HN 0.063 nan 8.290 nan 0.000 0.459 268 R N -0.898 119.589 120.500 -0.021 0.000 2.466 268 R HA 0.384 4.723 4.340 -0.001 0.000 0.279 268 R C 1.012 177.313 176.300 0.000 0.000 0.976 268 R CA 0.494 56.586 56.100 -0.013 0.000 1.081 268 R CB -0.060 30.230 30.300 -0.017 0.000 1.215 268 R HN 0.519 nan 8.270 nan 0.000 0.546 269 G N 1.670 110.476 108.800 0.010 0.000 2.189 269 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.267 269 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.267 269 G C 0.362 175.275 174.900 0.022 0.000 0.975 269 G CA 0.028 45.139 45.100 0.018 0.000 0.644 269 G HN 0.363 nan 8.290 nan 0.000 0.537 270 I N 1.745 122.327 120.570 0.020 0.000 2.472 270 I HA 0.342 4.511 4.170 -0.001 0.000 0.305 270 I C 0.785 176.923 176.117 0.036 0.000 1.196 270 I CA -0.169 61.145 61.300 0.023 0.000 1.613 270 I CB -0.221 37.788 38.000 0.015 0.000 1.501 270 I HN 0.151 nan 8.210 nan 0.000 0.754 271 V N 4.112 124.051 119.914 0.042 0.000 3.493 271 V HA -0.224 3.896 4.120 -0.001 0.000 0.498 271 V C -0.058 176.078 176.094 0.069 0.000 0.682 271 V CA 0.191 62.524 62.300 0.055 0.000 2.046 271 V CB -0.895 30.962 31.823 0.056 0.000 2.479 271 V HN 0.713 nan 8.190 nan 0.000 0.507 272 K N 4.229 124.673 120.400 0.072 0.000 2.284 272 K HA 0.708 5.027 4.320 -0.001 0.000 0.287 272 K C -0.483 176.172 176.600 0.091 0.000 1.081 272 K CA -0.201 56.136 56.287 0.084 0.000 0.910 272 K CB 1.523 34.062 32.500 0.066 0.000 1.088 272 K HN 0.561 nan 8.250 nan 0.000 0.478 273 V N 1.437 121.424 119.914 0.122 0.000 2.841 273 V HA 0.826 4.946 4.120 -0.001 0.000 0.310 273 V C -0.875 175.241 176.094 0.037 0.000 1.090 273 V CA -1.111 61.240 62.300 0.086 0.000 0.930 273 V CB 2.055 33.937 31.823 0.099 0.000 1.014 273 V HN 0.748 nan 8.190 nan 0.000 0.425 274 A N 2.882 125.579 122.820 -0.204 0.000 2.414 274 A HA 1.008 5.327 4.320 -0.001 0.000 0.306 274 A C -0.518 176.716 177.584 -0.583 0.000 1.054 274 A CA -0.238 51.346 52.037 -0.754 0.000 0.724 274 A CB 1.876 20.604 19.000 -0.453 0.000 1.267 274 A HN 1.555 nan 8.150 nan 0.000 0.418 275 A N 0.965 123.299 122.820 -0.811 0.000 2.365 275 A HA 0.861 5.180 4.320 -0.001 0.000 0.318 275 A C -0.380 177.120 177.584 -0.141 0.000 1.091 275 A CA -0.128 51.741 52.037 -0.281 0.000 0.763 275 A CB 1.309 20.250 19.000 -0.099 0.000 1.248 275 A HN 2.302 nan 8.150 nan 0.000 0.442 276 V N -0.679 119.227 119.914 -0.013 0.000 2.971 276 V HA 0.604 4.723 4.120 -0.001 0.000 0.309 276 V C -0.543 175.617 176.094 0.109 0.000 1.130 276 V CA -1.218 61.118 62.300 0.060 0.000 0.964 276 V CB 1.451 33.317 31.823 0.073 0.000 1.029 276 V HN 0.887 nan 8.190 nan 0.000 0.427 277 K N 2.039 122.510 120.400 0.119 0.000 2.276 277 K HA 0.639 4.958 4.320 -0.001 0.000 0.259 277 K C 0.454 177.141 176.600 0.146 0.000 1.001 277 K CA 0.339 56.694 56.287 0.114 0.000 0.927 277 K CB 1.059 33.618 32.500 0.099 0.000 0.969 277 K HN 1.136 nan 8.250 nan 0.000 0.490 278 A N 3.558 126.419 122.820 0.069 0.000 2.371 278 A HA 0.257 4.577 4.320 -0.001 0.000 0.257 278 A C -2.073 175.509 177.584 -0.003 0.000 1.089 278 A CA -1.285 50.738 52.037 -0.022 0.000 0.794 278 A CB -0.256 18.717 19.000 -0.046 0.000 1.029 278 A HN 0.464 nan 8.150 nan 0.000 0.488 279 P HA 0.348 nan 4.420 nan 0.000 0.269 279 P C 0.701 178.016 177.300 0.025 0.000 1.209 279 P CA 1.442 64.536 63.100 -0.009 0.000 0.776 279 P CB 0.526 32.127 31.700 -0.165 0.000 0.876 280 G N 1.865 110.733 108.800 0.114 0.000 2.752 280 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.234 280 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.234 280 G C -0.797 174.266 174.900 0.270 0.000 1.367 280 G CA 0.070 45.277 45.100 0.178 0.000 0.879 280 G HN 0.765 nan 8.290 nan 0.000 0.563 281 F N -2.526 117.434 119.950 0.017 0.000 2.711 281 F HA 0.821 5.348 4.527 -0.001 0.000 0.313 281 F C 0.965 176.777 175.800 0.019 0.000 1.141 281 F CA 0.252 58.263 58.000 0.018 0.000 0.941 281 F CB 0.939 39.955 39.000 0.027 0.000 1.349 281 F HN 2.497 nan 8.300 nan 0.000 0.464 282 G N 1.374 110.119 108.800 -0.092 0.000 2.550 282 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.277 282 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.277 282 G C 0.307 175.110 174.900 -0.162 0.000 1.190 282 G CA 0.597 45.584 45.100 -0.189 0.000 0.971 282 G HN 0.865 nan 8.290 nan 0.000 0.559 283 D N 1.108 121.398 120.400 -0.183 0.000 2.077 283 D HA -0.098 4.541 4.640 -0.001 0.000 0.196 283 D C 2.528 178.751 176.300 -0.129 0.000 0.986 283 D CA 1.718 55.644 54.000 -0.123 0.000 0.829 283 D CB -0.393 40.346 40.800 -0.101 0.000 0.983 283 D HN 0.729 nan 8.370 nan 0.000 0.453 284 R N 1.530 121.929 120.500 -0.169 0.000 2.185 284 R HA -0.175 4.165 4.340 -0.001 0.000 0.247 284 R C 2.218 178.447 176.300 -0.118 0.000 1.159 284 R CA 1.398 57.412 56.100 -0.143 0.000 0.988 284 R CB -0.555 29.644 30.300 -0.169 0.000 0.871 284 R HN 0.118 nan 8.270 nan 0.000 0.458 285 R N 1.564 121.993 120.500 -0.118 0.000 2.094 285 R HA -0.167 4.172 4.340 -0.001 0.000 0.239 285 R C 1.720 177.976 176.300 -0.074 0.000 1.137 285 R CA 2.246 58.301 56.100 -0.074 0.000 0.943 285 R CB -0.124 30.154 30.300 -0.035 0.000 0.850 285 R HN 0.350 nan 8.270 nan 0.000 0.433 286 K N -0.014 120.346 120.400 -0.067 0.000 2.057 286 K HA -0.090 4.230 4.320 -0.001 0.000 0.207 286 K C 2.194 178.756 176.600 -0.064 0.000 1.049 286 K CA 1.434 57.687 56.287 -0.058 0.000 0.931 286 K CB -0.215 32.257 32.500 -0.047 0.000 0.714 286 K HN 0.266 nan 8.250 nan 0.000 0.440 287 A N 1.345 124.124 122.820 -0.069 0.000 1.933 287 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 287 A C 2.136 179.675 177.584 -0.076 0.000 1.175 287 A CA 1.600 53.597 52.037 -0.067 0.000 0.628 287 A CB -0.472 18.487 19.000 -0.069 0.000 0.814 287 A HN 0.200 nan 8.150 nan 0.000 0.444 288 M N -1.117 118.428 119.600 -0.091 0.000 2.200 288 M HA 0.050 4.530 4.480 -0.001 0.000 0.265 288 M C 2.162 178.378 176.300 -0.140 0.000 1.066 288 M CA 0.952 56.184 55.300 -0.113 0.000 1.127 288 M CB -0.283 32.243 32.600 -0.124 0.000 1.379 288 M HN 0.436 nan 8.290 nan 0.000 0.420 289 L N 0.296 121.442 121.223 -0.129 0.000 2.191 289 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 289 L C 2.531 179.344 176.870 -0.097 0.000 1.103 289 L CA 1.325 56.086 54.840 -0.132 0.000 0.769 289 L CB -0.168 41.834 42.059 -0.096 0.000 0.908 289 L HN 0.327 nan 8.230 nan 0.000 0.438 290 Q N 0.018 119.772 119.800 -0.076 0.000 2.083 290 Q HA -0.199 4.140 4.340 -0.001 0.000 0.198 290 Q C 1.710 177.678 176.000 -0.053 0.000 0.969 290 Q CA 1.749 57.519 55.803 -0.055 0.000 0.838 290 Q CB -0.117 28.594 28.738 -0.046 0.000 0.900 290 Q HN 0.437 nan 8.270 nan 0.000 0.436 291 D N 0.017 120.379 120.400 -0.063 0.000 2.149 291 D HA -0.169 4.470 4.640 -0.001 0.000 0.198 291 D C 1.841 178.112 176.300 -0.049 0.000 0.990 291 D CA 1.411 55.379 54.000 -0.053 0.000 0.839 291 D CB -0.069 40.696 40.800 -0.059 0.000 0.948 291 D HN 0.394 nan 8.370 nan 0.000 0.460 292 I N 1.269 121.794 120.570 -0.075 0.000 2.252 292 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 292 I C 2.628 178.729 176.117 -0.027 0.000 1.102 292 I CA 0.830 62.094 61.300 -0.060 0.000 1.385 292 I CB -0.274 37.656 38.000 -0.117 0.000 1.064 292 I HN -0.087 nan 8.210 nan 0.000 0.414 293 A N 0.731 123.532 122.820 -0.032 0.000 1.858 293 A HA -0.213 4.107 4.320 -0.001 0.000 0.216 293 A C 2.390 179.971 177.584 -0.006 0.000 1.190 293 A CA 2.543 54.572 52.037 -0.014 0.000 0.617 293 A CB -1.192 17.797 19.000 -0.019 0.000 0.827 293 A HN 0.377 nan 8.150 nan 0.000 0.443 294 T N 0.311 114.858 114.554 -0.012 0.000 2.803 294 T HA -0.114 4.235 4.350 -0.001 0.000 0.269 294 T C 1.785 176.484 174.700 -0.001 0.000 1.052 294 T CA 1.291 63.387 62.100 -0.007 0.000 1.136 294 T CB -0.231 68.629 68.868 -0.012 0.000 0.864 294 T HN 0.292 nan 8.240 nan 0.000 0.467 295 L N 1.795 123.018 121.223 -0.000 0.000 2.068 295 L HA -0.000 4.339 4.340 -0.001 0.000 0.204 295 L C 2.419 179.298 176.870 0.015 0.000 1.076 295 L CA 2.182 57.027 54.840 0.008 0.000 0.753 295 L CB -1.329 40.737 42.059 0.011 0.000 0.910 295 L HN 0.412 nan 8.230 nan 0.000 0.439 296 T N -3.576 110.989 114.554 0.019 0.000 3.107 296 T HA 0.213 4.563 4.350 -0.001 0.000 0.249 296 T C 1.270 175.990 174.700 0.033 0.000 1.096 296 T CA 0.404 62.521 62.100 0.029 0.000 1.012 296 T CB -0.206 68.685 68.868 0.039 0.000 0.977 296 T HN 0.558 nan 8.240 nan 0.000 0.527 297 G N 0.531 109.345 108.800 0.024 0.000 2.221 297 G HA2 0.006 3.966 3.960 -0.001 0.000 0.265 297 G HA3 0.006 3.966 3.960 -0.001 0.000 0.265 297 G C 0.345 175.264 174.900 0.033 0.000 1.041 297 G CA -0.142 44.974 45.100 0.026 0.000 0.807 297 G HN 1.019 nan 8.290 nan 0.000 0.502 298 G N -1.705 107.111 108.800 0.027 0.000 2.753 298 G HA2 0.791 4.750 3.960 -0.001 0.000 0.285 298 G HA3 0.791 4.750 3.960 -0.001 0.000 0.285 298 G C -0.443 174.463 174.900 0.010 0.000 1.344 298 G CA 0.184 45.300 45.100 0.027 0.000 1.050 298 G HN 0.723 nan 8.290 nan 0.000 0.532 299 T N 0.194 114.751 114.554 0.004 0.000 2.881 299 T HA 0.384 4.733 4.350 -0.001 0.000 0.291 299 T C -0.199 174.496 174.700 -0.008 0.000 0.990 299 T CA -0.288 61.809 62.100 -0.004 0.000 0.976 299 T CB 1.611 70.475 68.868 -0.006 0.000 0.970 299 T HN 0.366 nan 8.240 nan 0.000 0.438 300 V N 4.779 124.685 119.914 -0.013 0.000 2.529 300 V HA 0.167 4.287 4.120 -0.001 0.000 0.292 300 V C 0.504 176.590 176.094 -0.014 0.000 1.028 300 V CA 0.004 62.294 62.300 -0.016 0.000 1.074 300 V CB 0.010 31.819 31.823 -0.023 0.000 0.958 300 V HN 0.781 nan 8.190 nan 0.000 0.481 301 I N 5.666 126.229 120.570 -0.012 0.000 2.316 301 I HA 0.219 4.388 4.170 -0.001 0.000 0.286 301 I C 0.534 176.646 176.117 -0.008 0.000 1.107 301 I CA 0.154 61.448 61.300 -0.010 0.000 1.219 301 I CB 0.465 38.459 38.000 -0.009 0.000 1.455 301 I HN 0.731 nan 8.210 nan 0.000 0.498 302 S N 2.793 118.488 115.700 -0.009 0.000 2.565 302 S HA 0.375 4.844 4.470 -0.001 0.000 0.290 302 S C 0.624 175.221 174.600 -0.006 0.000 1.150 302 S CA -0.824 57.371 58.200 -0.008 0.000 1.058 302 S CB 2.062 65.255 63.200 -0.011 0.000 1.032 302 S HN 0.538 nan 8.310 nan 0.000 0.510 303 E N 1.115 121.314 120.200 -0.003 0.000 2.347 303 E HA -0.100 4.249 4.350 -0.001 0.000 0.196 303 E C 1.304 177.903 176.600 -0.003 0.000 1.008 303 E CA 0.635 57.034 56.400 -0.002 0.000 0.852 303 E CB -0.046 29.654 29.700 0.001 0.000 0.783 303 E HN 0.782 nan 8.360 nan 0.000 0.505 304 E N 0.557 120.755 120.200 -0.004 0.000 2.160 304 E HA -0.148 4.201 4.350 -0.001 0.000 0.195 304 E C 1.366 177.963 176.600 -0.006 0.000 0.991 304 E CA 0.789 57.186 56.400 -0.005 0.000 0.810 304 E CB 0.029 29.725 29.700 -0.007 0.000 0.742 304 E HN 0.332 nan 8.360 nan 0.000 0.466 305 I N 0.064 120.630 120.570 -0.006 0.000 3.891 305 I HA 0.160 4.329 4.170 -0.001 0.000 0.331 305 I C 0.735 176.848 176.117 -0.006 0.000 1.406 305 I CA -0.166 61.130 61.300 -0.007 0.000 1.139 305 I CB 0.240 38.235 38.000 -0.008 0.000 1.056 305 I HN 0.052 nan 8.210 nan 0.000 0.399 306 G N 2.218 111.015 108.800 -0.005 0.000 2.338 306 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.296 306 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.296 306 G C 0.006 174.903 174.900 -0.005 0.000 1.040 306 G CA 0.142 45.240 45.100 -0.004 0.000 1.004 306 G HN 0.371 nan 8.290 nan 0.000 0.509 307 M N -0.318 119.278 119.600 -0.005 0.000 2.472 307 M HA 0.524 5.004 4.480 -0.001 0.000 0.331 307 M C 0.226 176.522 176.300 -0.006 0.000 1.170 307 M CA -0.388 54.908 55.300 -0.007 0.000 1.009 307 M CB 1.737 34.332 32.600 -0.008 0.000 1.672 307 M HN 0.238 nan 8.290 nan 0.000 0.453 308 E N 1.736 121.932 120.200 -0.007 0.000 2.212 308 E HA 0.327 4.676 4.350 -0.001 0.000 0.268 308 E C 0.183 176.778 176.600 -0.008 0.000 0.902 308 E CA -0.517 55.880 56.400 -0.006 0.000 0.779 308 E CB 2.326 32.023 29.700 -0.005 0.000 1.172 308 E HN 0.663 nan 8.360 nan 0.000 0.409 309 L N 1.573 122.793 121.223 -0.006 0.000 2.201 309 L HA -0.166 4.173 4.340 -0.001 0.000 0.212 309 L C 1.610 178.473 176.870 -0.011 0.000 1.105 309 L CA 1.054 55.890 54.840 -0.008 0.000 0.775 309 L CB -0.236 41.822 42.059 -0.002 0.000 0.913 309 L HN 0.533 nan 8.230 nan 0.000 0.440 310 E N 0.641 120.835 120.200 -0.009 0.000 2.106 310 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 310 E C 0.920 177.511 176.600 -0.015 0.000 0.984 310 E CA 1.039 57.432 56.400 -0.011 0.000 0.806 310 E CB -0.036 29.660 29.700 -0.007 0.000 0.750 310 E HN 0.310 nan 8.360 nan 0.000 0.458 311 K N 0.529 120.921 120.400 -0.015 0.000 3.165 311 K HA 0.443 4.762 4.320 -0.001 0.000 0.259 311 K C -0.802 175.785 176.600 -0.022 0.000 1.282 311 K CA -0.212 56.064 56.287 -0.017 0.000 1.259 311 K CB 0.796 33.288 32.500 -0.014 0.000 1.546 311 K HN -0.027 nan 8.250 nan 0.000 0.384 312 A N 1.170 123.973 122.820 -0.029 0.000 2.335 312 A HA 0.426 4.745 4.320 -0.001 0.000 0.304 312 A C 0.029 177.580 177.584 -0.056 0.000 1.118 312 A CA -0.682 51.333 52.037 -0.038 0.000 0.757 312 A CB 0.838 19.818 19.000 -0.034 0.000 1.188 312 A HN 0.295 nan 8.150 nan 0.000 0.460 313 T N -0.066 114.450 114.554 -0.064 0.000 2.936 313 T HA 0.526 4.875 4.350 -0.001 0.000 0.282 313 T C 1.086 175.703 174.700 -0.139 0.000 1.003 313 T CA -0.761 61.285 62.100 -0.090 0.000 1.005 313 T CB 0.559 69.386 68.868 -0.069 0.000 1.097 313 T HN 0.385 nan 8.240 nan 0.000 0.532 314 L N -0.020 121.079 121.223 -0.206 0.000 2.447 314 L HA -0.055 4.284 4.340 -0.001 0.000 0.225 314 L C 2.717 179.459 176.870 -0.213 0.000 1.148 314 L CA 1.357 55.981 54.840 -0.361 0.000 0.808 314 L CB -0.586 41.195 42.059 -0.462 0.000 0.928 314 L HN 0.862 nan 8.230 nan 0.000 0.448 315 E N 0.124 120.260 120.200 -0.107 0.000 2.216 315 E HA -0.169 4.180 4.350 -0.001 0.000 0.192 315 E C 1.381 177.965 176.600 -0.026 0.000 0.988 315 E CA 0.697 57.071 56.400 -0.043 0.000 0.834 315 E CB 0.273 29.956 29.700 -0.029 0.000 0.772 315 E HN 0.471 nan 8.360 nan 0.000 0.479 316 D N 0.298 120.672 120.400 -0.043 0.000 2.162 316 D HA -0.067 4.572 4.640 -0.001 0.000 0.203 316 D C 0.349 176.643 176.300 -0.009 0.000 0.967 316 D CA 0.326 54.312 54.000 -0.025 0.000 0.840 316 D CB 0.080 40.861 40.800 -0.031 0.000 0.972 316 D HN 0.131 nan 8.370 nan 0.000 0.482 317 L N 1.111 122.318 121.223 -0.026 0.000 2.485 317 L HA 0.186 4.525 4.340 -0.001 0.000 0.275 317 L C 1.451 178.385 176.870 0.107 0.000 1.207 317 L CA 0.374 55.231 54.840 0.028 0.000 0.855 317 L CB 0.369 42.414 42.059 -0.023 0.000 1.114 317 L HN -0.142 nan 8.230 nan 0.000 0.485 318 G N 1.479 110.350 108.800 0.118 0.000 2.557 318 G HA2 0.550 4.509 3.960 -0.001 0.000 0.292 318 G HA3 0.550 4.509 3.960 -0.001 0.000 0.292 318 G C -1.035 173.960 174.900 0.158 0.000 1.237 318 G CA -0.247 44.920 45.100 0.111 0.000 0.978 318 G HN 0.582 nan 8.290 nan 0.000 0.498 319 Q N -1.793 118.061 119.800 0.091 0.000 2.479 319 Q HA 0.556 4.895 4.340 -0.001 0.000 0.276 319 Q C -1.469 174.531 176.000 -0.001 0.000 0.989 319 Q CA -0.759 55.066 55.803 0.035 0.000 0.864 319 Q CB 2.100 30.849 28.738 0.019 0.000 1.444 319 Q HN 1.031 nan 8.270 nan 0.000 0.388 320 A N 2.075 124.875 122.820 -0.033 0.000 2.587 320 A HA 0.443 4.763 4.320 -0.001 0.000 0.293 320 A C -0.513 177.042 177.584 -0.048 0.000 1.087 320 A CA -0.614 51.409 52.037 -0.024 0.000 0.692 320 A CB 1.648 20.648 19.000 -0.000 0.000 1.291 320 A HN 0.822 nan 8.150 nan 0.000 0.407 321 K N -0.407 119.971 120.400 -0.036 0.000 2.209 321 K HA -0.037 4.283 4.320 -0.001 0.000 0.204 321 K C 0.715 177.293 176.600 -0.037 0.000 1.048 321 K CA 1.393 57.655 56.287 -0.041 0.000 0.940 321 K CB 0.109 32.593 32.500 -0.027 0.000 0.729 321 K HN 0.559 nan 8.250 nan 0.000 0.451 322 R N -0.238 120.247 120.500 -0.026 0.000 2.644 322 R HA 0.176 4.516 4.340 -0.001 0.000 0.257 322 R C -2.073 174.221 176.300 -0.011 0.000 1.082 322 R CA -0.586 55.502 56.100 -0.020 0.000 0.927 322 R CB 1.683 31.974 30.300 -0.015 0.000 1.258 322 R HN -0.059 nan 8.270 nan 0.000 0.459 323 V N 0.349 120.257 119.914 -0.010 0.000 2.760 323 V HA 0.839 4.958 4.120 -0.001 0.000 0.309 323 V C -1.279 174.808 176.094 -0.012 0.000 1.077 323 V CA -0.696 61.599 62.300 -0.008 0.000 0.910 323 V CB 2.053 33.876 31.823 0.001 0.000 1.008 323 V HN 0.438 nan 8.190 nan 0.000 0.424 324 V N 5.599 125.499 119.914 -0.024 0.000 2.656 324 V HA 0.667 4.787 4.120 -0.001 0.000 0.307 324 V C -0.277 175.792 176.094 -0.043 0.000 1.051 324 V CA -0.426 61.863 62.300 -0.017 0.000 0.893 324 V CB 1.772 33.587 31.823 -0.012 0.000 0.999 324 V HN 1.072 nan 8.190 nan 0.000 0.426 325 I N 1.010 121.576 120.570 -0.006 0.000 2.533 325 I HA 0.692 4.861 4.170 -0.001 0.000 0.290 325 I C -0.504 175.647 176.117 0.056 0.000 1.056 325 I CA -0.553 60.733 61.300 -0.024 0.000 1.057 325 I CB 2.133 40.126 38.000 -0.011 0.000 1.240 325 I HN 0.435 nan 8.210 nan 0.000 0.423 326 N N 4.560 123.226 118.700 -0.056 0.000 2.620 326 N HA 0.225 4.965 4.740 -0.001 0.000 0.307 326 N C 0.633 175.896 175.510 -0.412 0.000 1.316 326 N CA -0.672 52.348 53.050 -0.051 0.000 0.931 326 N CB 0.681 39.128 38.487 -0.067 0.000 1.116 326 N HN 0.684 nan 8.380 nan 0.000 0.573 327 K N 0.120 120.287 120.400 -0.388 0.000 2.283 327 K HA -0.139 4.180 4.320 -0.001 0.000 0.202 327 K C -0.619 175.652 176.600 -0.548 0.000 1.048 327 K CA 1.619 57.497 56.287 -0.682 0.000 0.948 327 K CB -0.017 32.373 32.500 -0.183 0.000 0.742 327 K HN 0.604 nan 8.250 nan 0.000 0.458 328 D N -1.275 118.923 120.400 -0.337 0.000 3.279 328 D HA 0.116 4.755 4.640 -0.001 0.000 0.336 328 D C -1.038 175.150 176.300 -0.187 0.000 1.512 328 D CA -0.498 53.365 54.000 -0.229 0.000 0.754 328 D CB 0.675 41.391 40.800 -0.140 0.000 1.278 328 D HN -0.160 nan 8.370 nan 0.000 0.553 329 T N -0.278 114.136 114.554 -0.233 0.000 3.291 329 T HA 0.528 4.878 4.350 -0.001 0.000 0.344 329 T C -1.259 173.244 174.700 -0.328 0.000 1.293 329 T CA -0.423 61.528 62.100 -0.249 0.000 1.108 329 T CB 2.060 70.829 68.868 -0.165 0.000 1.231 329 T HN -0.053 nan 8.240 nan 0.000 0.474 330 T N 2.296 116.508 114.554 -0.569 0.000 2.812 330 T HA 0.651 5.001 4.350 -0.001 0.000 0.282 330 T C -0.555 173.816 174.700 -0.547 0.000 0.990 330 T CA -0.481 61.238 62.100 -0.635 0.000 0.960 330 T CB 1.627 69.878 68.868 -1.027 0.000 0.948 330 T HN 0.568 nan 8.240 nan 0.000 0.438 331 T N 3.945 118.349 114.554 -0.249 0.000 2.840 331 T HA 0.620 4.970 4.350 -0.001 0.000 0.287 331 T C -0.605 174.074 174.700 -0.035 0.000 0.991 331 T CA -0.634 61.396 62.100 -0.116 0.000 0.964 331 T CB 0.118 68.939 68.868 -0.077 0.000 0.954 331 T HN 0.476 nan 8.240 nan 0.000 0.438 332 I N 6.642 127.230 120.570 0.030 0.000 2.307 332 I HA 0.410 4.580 4.170 -0.001 0.000 0.289 332 I C -0.114 176.021 176.117 0.031 0.000 1.021 332 I CA -0.682 60.648 61.300 0.049 0.000 1.224 332 I CB 1.109 39.170 38.000 0.103 0.000 1.376 332 I HN 0.537 nan 8.210 nan 0.000 0.470 333 I N 5.830 126.408 120.570 0.013 0.000 2.321 333 I HA 0.210 4.379 4.170 -0.001 0.000 0.291 333 I C -0.266 175.853 176.117 0.004 0.000 0.998 333 I CA -0.399 60.906 61.300 0.007 0.000 1.227 333 I CB 0.971 38.971 38.000 -0.001 0.000 1.368 333 I HN 0.605 nan 8.210 nan 0.000 0.466 334 D N 4.892 125.296 120.400 0.006 0.000 3.620 334 D HA -0.112 4.528 4.640 -0.001 0.000 0.237 334 D C 0.099 176.401 176.300 0.002 0.000 1.111 334 D CA 0.937 54.939 54.000 0.003 0.000 1.070 334 D CB -0.130 40.668 40.800 -0.003 0.000 0.891 334 D HN 0.824 nan 8.370 nan 0.000 0.412 335 G N 1.016 109.822 108.800 0.009 0.000 2.476 335 G HA2 0.428 4.388 3.960 -0.001 0.000 0.286 335 G HA3 0.428 4.388 3.960 -0.001 0.000 0.286 335 G C 1.359 176.264 174.900 0.008 0.000 1.177 335 G CA -0.368 44.739 45.100 0.011 0.000 0.870 335 G HN 0.376 nan 8.290 nan 0.000 0.528 336 V N 1.862 121.782 119.914 0.010 0.000 2.626 336 V HA 0.002 4.121 4.120 -0.001 0.000 0.252 336 V C 2.284 178.386 176.094 0.014 0.000 1.067 336 V CA 1.152 63.460 62.300 0.012 0.000 1.081 336 V CB -1.291 30.544 31.823 0.020 0.000 0.686 336 V HN 0.896 nan 8.190 nan 0.000 0.468 337 G N 1.004 109.813 108.800 0.015 0.000 2.351 337 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.231 337 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.231 337 G C -0.118 174.787 174.900 0.009 0.000 1.163 337 G CA -0.060 45.047 45.100 0.012 0.000 0.861 337 G HN 0.578 nan 8.290 nan 0.000 0.500 338 E N 1.561 121.765 120.200 0.007 0.000 2.259 338 E HA 0.095 4.444 4.350 -0.001 0.000 0.281 338 E C 0.915 177.517 176.600 0.003 0.000 1.027 338 E CA -0.344 56.059 56.400 0.005 0.000 0.838 338 E CB 1.540 31.244 29.700 0.005 0.000 1.066 338 E HN 0.689 nan 8.360 nan 0.000 0.401 339 E N 1.878 122.079 120.200 0.003 0.000 2.233 339 E HA -0.305 4.045 4.350 -0.001 0.000 0.199 339 E C 1.685 178.285 176.600 0.000 0.000 1.004 339 E CA 1.195 57.596 56.400 0.001 0.000 0.819 339 E CB -0.085 29.616 29.700 0.001 0.000 0.738 339 E HN 0.587 nan 8.360 nan 0.000 0.478 340 A N 1.633 124.453 122.820 0.000 0.000 1.841 340 A HA -0.072 4.247 4.320 -0.001 0.000 0.214 340 A C 2.446 180.029 177.584 -0.002 0.000 1.195 340 A CA 1.648 53.685 52.037 -0.001 0.000 0.611 340 A CB -0.739 18.261 19.000 0.000 0.000 0.835 340 A HN 0.302 nan 8.150 nan 0.000 0.443 341 A N -0.058 122.761 122.820 -0.001 0.000 1.877 341 A HA -0.096 4.224 4.320 -0.001 0.000 0.216 341 A C 2.161 179.743 177.584 -0.004 0.000 1.186 341 A CA 1.611 53.646 52.037 -0.002 0.000 0.620 341 A CB -0.711 18.288 19.000 -0.001 0.000 0.822 341 A HN 0.504 nan 8.150 nan 0.000 0.443 342 I N -0.946 119.623 120.570 -0.002 0.000 2.099 342 I HA -0.299 3.870 4.170 -0.001 0.000 0.239 342 I C 2.792 178.906 176.117 -0.005 0.000 1.066 342 I CA 1.950 63.248 61.300 -0.003 0.000 1.324 342 I CB -0.436 37.563 38.000 -0.001 0.000 1.037 342 I HN 0.378 nan 8.210 nan 0.000 0.401 343 Q N 1.370 121.168 119.800 -0.004 0.000 2.181 343 Q HA -0.142 4.197 4.340 -0.001 0.000 0.205 343 Q C 2.004 178.000 176.000 -0.006 0.000 0.980 343 Q CA 2.064 57.864 55.803 -0.004 0.000 0.862 343 Q CB -0.729 28.007 28.738 -0.003 0.000 0.905 343 Q HN 0.515 nan 8.270 nan 0.000 0.429 344 G N -0.109 108.688 108.800 -0.006 0.000 2.404 344 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.215 344 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.215 344 G C 1.546 176.441 174.900 -0.009 0.000 1.174 344 G CA 0.771 45.867 45.100 -0.007 0.000 0.780 344 G HN 0.370 nan 8.290 nan 0.000 0.537 345 R N 0.351 120.845 120.500 -0.010 0.000 2.105 345 R HA -0.054 4.285 4.340 -0.001 0.000 0.239 345 R C 2.525 178.816 176.300 -0.015 0.000 1.135 345 R CA 1.617 57.708 56.100 -0.014 0.000 0.967 345 R CB -0.862 29.429 30.300 -0.015 0.000 0.861 345 R HN 0.238 nan 8.270 nan 0.000 0.442 346 V N 0.632 120.538 119.914 -0.012 0.000 2.295 346 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 346 V C 2.389 178.475 176.094 -0.013 0.000 1.049 346 V CA 1.913 64.206 62.300 -0.013 0.000 1.024 346 V CB -1.045 30.772 31.823 -0.009 0.000 0.648 346 V HN 0.550 nan 8.190 nan 0.000 0.447 347 A N -0.633 122.181 122.820 -0.011 0.000 1.908 347 A HA -0.308 4.012 4.320 -0.001 0.000 0.218 347 A C 2.177 179.754 177.584 -0.012 0.000 1.181 347 A CA 2.135 54.165 52.037 -0.010 0.000 0.627 347 A CB -0.501 18.494 19.000 -0.009 0.000 0.818 347 A HN 0.651 nan 8.150 nan 0.000 0.445 348 Q N -0.398 119.394 119.800 -0.014 0.000 1.975 348 Q HA -0.170 4.169 4.340 -0.001 0.000 0.205 348 Q C 2.082 178.071 176.000 -0.019 0.000 0.990 348 Q CA 1.841 57.635 55.803 -0.016 0.000 0.845 348 Q CB -0.452 28.276 28.738 -0.017 0.000 0.913 348 Q HN 0.737 nan 8.270 nan 0.000 0.420 349 I N 0.396 120.953 120.570 -0.022 0.000 2.399 349 I HA -0.292 3.878 4.170 -0.001 0.000 0.254 349 I C 2.549 178.652 176.117 -0.023 0.000 1.146 349 I CA 1.060 62.344 61.300 -0.026 0.000 1.412 349 I CB -0.323 37.659 38.000 -0.029 0.000 1.076 349 I HN 0.168 nan 8.210 nan 0.000 0.432 350 R N 0.861 121.350 120.500 -0.019 0.000 2.096 350 R HA -0.168 4.172 4.340 -0.001 0.000 0.235 350 R C 2.283 178.574 176.300 -0.015 0.000 1.127 350 R CA 1.370 57.460 56.100 -0.016 0.000 0.968 350 R CB -0.030 30.262 30.300 -0.013 0.000 0.861 350 R HN 0.429 nan 8.270 nan 0.000 0.440 351 Q N -0.685 119.106 119.800 -0.015 0.000 2.187 351 Q HA -0.100 4.239 4.340 -0.001 0.000 0.199 351 Q C 2.002 177.993 176.000 -0.015 0.000 0.957 351 Q CA 0.762 56.557 55.803 -0.013 0.000 0.857 351 Q CB 0.219 28.950 28.738 -0.012 0.000 0.929 351 Q HN 0.396 nan 8.270 nan 0.000 0.453 352 Q N 0.581 120.370 119.800 -0.019 0.000 2.112 352 Q HA -0.197 4.143 4.340 -0.001 0.000 0.206 352 Q C 2.088 178.075 176.000 -0.022 0.000 0.987 352 Q CA 1.278 57.068 55.803 -0.022 0.000 0.858 352 Q CB -0.316 28.405 28.738 -0.029 0.000 0.905 352 Q HN 0.497 nan 8.270 nan 0.000 0.420 353 I N 1.033 121.589 120.570 -0.022 0.000 2.361 353 I HA -0.227 3.942 4.170 -0.001 0.000 0.251 353 I C 2.170 178.279 176.117 -0.014 0.000 1.133 353 I CA 0.851 62.138 61.300 -0.021 0.000 1.413 353 I CB -0.283 37.705 38.000 -0.021 0.000 1.073 353 I HN 0.137 nan 8.210 nan 0.000 0.424 354 E N 1.293 121.485 120.200 -0.012 0.000 2.047 354 E HA -0.197 4.153 4.350 -0.001 0.000 0.191 354 E C 1.761 178.357 176.600 -0.007 0.000 0.987 354 E CA 1.238 57.633 56.400 -0.008 0.000 0.799 354 E CB -0.339 29.356 29.700 -0.008 0.000 0.752 354 E HN 0.605 nan 8.360 nan 0.000 0.449 355 E N 0.997 121.192 120.200 -0.008 0.000 2.511 355 E HA 0.143 4.492 4.350 -0.001 0.000 0.196 355 E C 0.275 176.872 176.600 -0.006 0.000 1.066 355 E CA -0.026 56.370 56.400 -0.007 0.000 0.871 355 E CB 0.127 29.822 29.700 -0.008 0.000 0.863 355 E HN 0.070 nan 8.360 nan 0.000 0.520 356 A N 1.744 124.560 122.820 -0.007 0.000 2.522 356 A HA 0.055 4.375 4.320 -0.001 0.000 0.256 356 A C 1.265 178.851 177.584 0.003 0.000 1.086 356 A CA 0.209 52.244 52.037 -0.005 0.000 0.763 356 A CB -0.080 18.914 19.000 -0.010 0.000 1.024 356 A HN 0.237 nan 8.150 nan 0.000 0.502 357 T N -0.578 113.981 114.554 0.008 0.000 3.069 357 T HA 0.345 4.695 4.350 -0.001 0.000 0.252 357 T C 0.529 175.242 174.700 0.022 0.000 1.053 357 T CA 0.481 62.589 62.100 0.013 0.000 0.964 357 T CB -0.086 68.789 68.868 0.011 0.000 1.005 357 T HN 0.757 nan 8.240 nan 0.000 0.532 358 S N -0.154 115.564 115.700 0.031 0.000 2.547 358 S HA 0.361 4.830 4.470 -0.001 0.000 0.281 358 S C 0.083 174.719 174.600 0.059 0.000 1.118 358 S CA -0.653 57.578 58.200 0.053 0.000 0.947 358 S CB 1.581 64.829 63.200 0.080 0.000 1.053 358 S HN 0.100 nan 8.310 nan 0.000 0.482 359 D N 2.271 122.712 120.400 0.068 0.000 2.104 359 D HA -0.132 4.507 4.640 -0.001 0.000 0.194 359 D C 1.335 177.688 176.300 0.089 0.000 0.994 359 D CA 1.540 55.579 54.000 0.065 0.000 0.830 359 D CB -0.260 40.580 40.800 0.067 0.000 0.959 359 D HN 0.722 nan 8.370 nan 0.000 0.452 360 Y N 2.185 122.486 120.300 0.002 0.000 2.081 360 Y HA -0.252 4.297 4.550 -0.001 0.000 0.280 360 Y C 1.645 177.543 175.900 -0.003 0.000 1.163 360 Y CA 2.036 60.138 58.100 0.003 0.000 1.135 360 Y CB -0.481 37.983 38.460 0.006 0.000 0.970 360 Y HN -0.103 nan 8.280 nan 0.000 0.498 361 D N -0.761 119.630 120.400 -0.014 0.000 2.178 361 D HA -0.147 4.492 4.640 -0.001 0.000 0.201 361 D C 2.252 178.484 176.300 -0.113 0.000 0.980 361 D CA 1.368 55.305 54.000 -0.105 0.000 0.842 361 D CB -0.243 40.552 40.800 -0.008 0.000 0.948 361 D HN 0.298 nan 8.370 nan 0.000 0.472 362 R N 0.556 121.020 120.500 -0.061 0.000 2.066 362 R HA -0.117 4.223 4.340 -0.001 0.000 0.232 362 R C 1.744 178.000 176.300 -0.073 0.000 1.131 362 R CA 1.041 57.112 56.100 -0.049 0.000 0.955 362 R CB 0.141 30.431 30.300 -0.016 0.000 0.851 362 R HN 0.085 nan 8.270 nan 0.000 0.432 363 E N 0.921 121.067 120.200 -0.090 0.000 2.031 363 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 363 E C 1.887 178.403 176.600 -0.139 0.000 0.994 363 E CA 1.062 57.406 56.400 -0.094 0.000 0.800 363 E CB -0.185 29.468 29.700 -0.079 0.000 0.752 363 E HN 0.199 nan 8.360 nan 0.000 0.447 364 K N 0.816 121.065 120.400 -0.250 0.000 2.113 364 K HA -0.089 4.230 4.320 -0.001 0.000 0.208 364 K C 2.415 178.928 176.600 -0.145 0.000 1.047 364 K CA 0.716 56.858 56.287 -0.243 0.000 0.928 364 K CB -0.574 31.697 32.500 -0.381 0.000 0.716 364 K HN 0.200 nan 8.250 nan 0.000 0.446 365 L N 0.907 122.055 121.223 -0.124 0.000 2.027 365 L HA -0.181 4.159 4.340 -0.001 0.000 0.206 365 L C 2.547 179.381 176.870 -0.061 0.000 1.074 365 L CA 1.166 55.956 54.840 -0.083 0.000 0.745 365 L CB -0.422 41.596 42.059 -0.068 0.000 0.898 365 L HN 0.227 nan 8.230 nan 0.000 0.433 366 Q N -0.143 119.623 119.800 -0.056 0.000 2.226 366 Q HA -0.228 4.111 4.340 -0.001 0.000 0.204 366 Q C 1.988 177.968 176.000 -0.034 0.000 0.975 366 Q CA 1.315 57.095 55.803 -0.038 0.000 0.866 366 Q CB -0.105 28.613 28.738 -0.032 0.000 0.915 366 Q HN 0.560 nan 8.270 nan 0.000 0.440 367 E N 0.568 120.741 120.200 -0.044 0.000 2.072 367 E HA -0.146 4.204 4.350 -0.001 0.000 0.191 367 E C 2.067 178.652 176.600 -0.025 0.000 0.985 367 E CA 0.666 57.047 56.400 -0.032 0.000 0.801 367 E CB 0.052 29.728 29.700 -0.039 0.000 0.750 367 E HN 0.275 nan 8.360 nan 0.000 0.452 368 R N 0.485 120.963 120.500 -0.037 0.000 2.075 368 R HA -0.108 4.231 4.340 -0.001 0.000 0.232 368 R C 2.733 179.019 176.300 -0.023 0.000 1.126 368 R CA 1.508 57.589 56.100 -0.032 0.000 0.963 368 R CB -0.620 29.653 30.300 -0.046 0.000 0.858 368 R HN 0.195 nan 8.270 nan 0.000 0.435 369 V N -1.113 118.787 119.914 -0.024 0.000 2.343 369 V HA -0.143 3.976 4.120 -0.001 0.000 0.247 369 V C 2.354 178.442 176.094 -0.011 0.000 1.051 369 V CA 1.820 64.109 62.300 -0.018 0.000 1.036 369 V CB -1.082 30.730 31.823 -0.018 0.000 0.654 369 V HN 0.248 nan 8.190 nan 0.000 0.451 370 A N 0.432 123.246 122.820 -0.010 0.000 1.902 370 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 370 A C 2.366 179.951 177.584 0.002 0.000 1.181 370 A CA 2.243 54.277 52.037 -0.004 0.000 0.623 370 A CB -0.594 18.404 19.000 -0.005 0.000 0.818 370 A HN 0.619 nan 8.150 nan 0.000 0.443 371 K N -1.237 119.166 120.400 0.005 0.000 2.025 371 K HA -0.042 4.277 4.320 -0.001 0.000 0.207 371 K C 1.849 178.458 176.600 0.015 0.000 1.049 371 K CA 1.271 57.568 56.287 0.017 0.000 0.933 371 K CB -0.254 32.262 32.500 0.027 0.000 0.714 371 K HN 0.356 nan 8.250 nan 0.000 0.438 372 L N 0.175 121.401 121.223 0.005 0.000 2.240 372 L HA 0.018 4.357 4.340 -0.001 0.000 0.211 372 L C 1.820 178.691 176.870 0.002 0.000 1.106 372 L CA 1.345 56.187 54.840 0.002 0.000 0.793 372 L CB -0.155 41.900 42.059 -0.007 0.000 0.927 372 L HN 0.068 nan 8.230 nan 0.000 0.446 373 A N -1.718 121.102 122.820 -0.000 0.000 2.220 373 A HA 0.322 4.641 4.320 -0.001 0.000 0.211 373 A C 2.138 179.723 177.584 0.001 0.000 1.176 373 A CA 0.561 52.598 52.037 -0.001 0.000 0.834 373 A CB -0.693 18.305 19.000 -0.003 0.000 0.868 373 A HN 0.405 nan 8.150 nan 0.000 0.488 374 G N -0.336 108.466 108.800 0.004 0.000 2.408 374 G HA2 0.369 4.329 3.960 -0.001 0.000 0.215 374 G HA3 0.369 4.329 3.960 -0.001 0.000 0.215 374 G C 1.161 176.064 174.900 0.005 0.000 1.156 374 G CA 0.725 45.827 45.100 0.004 0.000 0.793 374 G HN 1.624 nan 8.290 nan 0.000 0.535 375 G N -1.615 107.191 108.800 0.009 0.000 2.632 375 G HA2 0.018 3.978 3.960 -0.001 0.000 0.224 375 G HA3 0.018 3.978 3.960 -0.001 0.000 0.224 375 G C -0.694 174.211 174.900 0.009 0.000 1.341 375 G CA -0.200 44.905 45.100 0.009 0.000 0.880 375 G HN 1.111 nan 8.290 nan 0.000 0.566 376 V N 0.430 120.348 119.914 0.007 0.000 2.567 376 V HA 0.683 4.802 4.120 -0.001 0.000 0.298 376 V C 0.651 176.746 176.094 0.002 0.000 1.047 376 V CA -0.046 62.257 62.300 0.005 0.000 0.880 376 V CB 1.135 32.962 31.823 0.006 0.000 1.009 376 V HN 2.167 nan 8.190 nan 0.000 0.429 377 A N 4.778 127.599 122.820 0.000 0.000 2.401 377 A HA 0.714 5.033 4.320 -0.001 0.000 0.259 377 A C -0.337 177.246 177.584 -0.000 0.000 1.103 377 A CA -0.152 51.885 52.037 -0.000 0.000 0.789 377 A CB 0.634 19.633 19.000 -0.001 0.000 1.035 377 A HN 0.784 nan 8.150 nan 0.000 0.491 378 V N 4.226 124.140 119.914 -0.000 0.000 2.448 378 V HA 0.361 4.481 4.120 -0.001 0.000 0.295 378 V C -0.222 175.872 176.094 0.000 0.000 1.025 378 V CA -0.209 62.091 62.300 -0.000 0.000 0.859 378 V CB 1.488 33.310 31.823 -0.001 0.000 0.988 378 V HN 0.738 nan 8.190 nan 0.000 0.431 379 I N 4.892 125.463 120.570 0.001 0.000 2.330 379 I HA 0.405 4.575 4.170 -0.001 0.000 0.289 379 I C 0.007 176.125 176.117 0.001 0.000 1.001 379 I CA -0.497 60.804 61.300 0.001 0.000 1.193 379 I CB 1.291 39.293 38.000 0.003 0.000 1.345 379 I HN 0.499 nan 8.210 nan 0.000 0.461 380 K N 6.037 126.437 120.400 0.000 0.000 2.281 380 K HA 0.413 4.732 4.320 -0.001 0.000 0.272 380 K C -0.611 175.989 176.600 0.000 0.000 1.048 380 K CA -0.630 55.657 56.287 0.000 0.000 0.898 380 K CB 1.713 34.213 32.500 -0.001 0.000 1.128 380 K HN 0.318 nan 8.250 nan 0.000 0.460 381 V N 2.944 122.858 119.914 0.001 0.000 2.673 381 V HA -0.005 4.115 4.120 -0.001 0.000 0.303 381 V C 1.476 177.570 176.094 0.000 0.000 1.046 381 V CA -0.050 62.251 62.300 0.001 0.000 1.126 381 V CB 0.649 32.473 31.823 0.001 0.000 0.934 381 V HN 0.953 nan 8.190 nan 0.000 0.487 382 G N 2.586 111.386 108.800 0.000 0.000 2.504 382 G HA2 0.416 4.375 3.960 -0.001 0.000 0.291 382 G HA3 0.416 4.375 3.960 -0.001 0.000 0.291 382 G C 0.352 175.252 174.900 -0.001 0.000 1.345 382 G CA 0.500 45.600 45.100 -0.000 0.000 1.090 382 G HN 1.241 nan 8.290 nan 0.000 0.591 383 A N -2.631 120.189 122.820 -0.001 0.000 2.588 383 A HA 0.839 5.158 4.320 -0.001 0.000 0.172 383 A C 0.721 178.304 177.584 -0.001 0.000 1.149 383 A CA 1.038 53.074 52.037 -0.001 0.000 1.987 383 A CB -0.485 18.514 19.000 -0.001 0.000 2.500 383 A HN 2.607 nan 8.150 nan 0.000 0.982 384 A N -0.422 122.398 122.820 -0.001 0.000 2.611 384 A HA 0.514 4.834 4.320 -0.001 0.000 0.281 384 A C 1.021 178.604 177.584 -0.001 0.000 1.396 384 A CA 1.315 53.352 52.037 -0.001 0.000 0.724 384 A CB -2.613 16.387 19.000 -0.001 0.000 1.126 384 A HN 3.447 nan 8.150 nan 0.000 0.384 385 T N -2.580 111.973 114.554 -0.001 0.000 0.554 385 T HA -0.066 4.283 4.350 -0.001 0.000 0.772 385 T C 0.276 174.975 174.700 -0.002 0.000 0.992 385 T CA 1.339 63.438 62.100 -0.002 0.000 4.069 385 T CB -1.163 67.704 68.868 -0.002 0.000 2.299 385 T HN 1.894 nan 8.240 nan 0.000 0.397 386 E N 1.327 121.526 120.200 -0.002 0.000 2.130 386 E HA -0.157 4.192 4.350 -0.001 0.000 0.196 386 E C 2.010 178.609 176.600 -0.002 0.000 0.998 386 E CA 2.196 58.595 56.400 -0.002 0.000 0.806 386 E CB -0.127 29.572 29.700 -0.002 0.000 0.738 386 E HN 0.670 nan 8.360 nan 0.000 0.459 387 V N 1.271 121.184 119.914 -0.002 0.000 2.261 387 V HA -0.261 3.859 4.120 -0.001 0.000 0.246 387 V C 2.163 178.256 176.094 -0.002 0.000 1.047 387 V CA 2.281 64.580 62.300 -0.002 0.000 1.015 387 V CB -0.639 31.183 31.823 -0.002 0.000 0.642 387 V HN 0.291 nan 8.190 nan 0.000 0.446 388 E N -0.366 119.832 120.200 -0.002 0.000 2.110 388 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 388 E C 2.195 178.794 176.600 -0.002 0.000 0.988 388 E CA 1.395 57.794 56.400 -0.002 0.000 0.804 388 E CB -0.254 29.445 29.700 -0.002 0.000 0.745 388 E HN 0.437 nan 8.360 nan 0.000 0.458 389 M N 1.232 120.831 119.600 -0.001 0.000 2.086 389 M HA -0.173 4.306 4.480 -0.001 0.000 0.261 389 M C 1.695 177.994 176.300 -0.001 0.000 1.067 389 M CA 1.569 56.868 55.300 -0.001 0.000 1.116 389 M CB -0.183 32.416 32.600 -0.001 0.000 1.348 389 M HN -0.122 nan 8.290 nan 0.000 0.407 390 K N 0.328 120.728 120.400 -0.001 0.000 2.147 390 K HA -0.180 4.139 4.320 -0.001 0.000 0.205 390 K C 1.874 178.473 176.600 -0.002 0.000 1.049 390 K CA 1.400 57.686 56.287 -0.001 0.000 0.936 390 K CB -0.559 31.940 32.500 -0.002 0.000 0.722 390 K HN 0.606 nan 8.250 nan 0.000 0.446 391 E N 1.309 121.508 120.200 -0.002 0.000 2.028 391 E HA -0.164 4.185 4.350 -0.001 0.000 0.190 391 E C 2.071 178.670 176.600 -0.002 0.000 0.984 391 E CA 0.949 57.347 56.400 -0.003 0.000 0.800 391 E CB 0.076 29.774 29.700 -0.003 0.000 0.758 391 E HN 0.150 nan 8.360 nan 0.000 0.448 392 K N 1.048 121.448 120.400 -0.001 0.000 2.152 392 K HA -0.219 4.101 4.320 -0.001 0.000 0.206 392 K C 2.253 178.854 176.600 0.001 0.000 1.048 392 K CA 1.541 57.828 56.287 -0.000 0.000 0.933 392 K CB -0.064 32.436 32.500 -0.000 0.000 0.721 392 K HN -0.044 nan 8.250 nan 0.000 0.447 393 K N 0.110 120.511 120.400 0.001 0.000 2.057 393 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 393 K C 1.943 178.545 176.600 0.003 0.000 1.049 393 K CA 1.305 57.594 56.287 0.002 0.000 0.931 393 K CB -0.188 32.313 32.500 0.002 0.000 0.714 393 K HN 0.226 nan 8.250 nan 0.000 0.440 394 A N 1.435 124.256 122.820 0.001 0.000 1.902 394 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 394 A C 2.099 179.683 177.584 0.000 0.000 1.181 394 A CA 1.415 53.452 52.037 -0.001 0.000 0.623 394 A CB -0.466 18.531 19.000 -0.005 0.000 0.818 394 A HN 0.323 nan 8.150 nan 0.000 0.443 395 R N -0.686 119.814 120.500 0.000 0.000 2.073 395 R HA -0.098 4.241 4.340 -0.001 0.000 0.234 395 R C 2.071 178.376 176.300 0.008 0.000 1.134 395 R CA 1.538 57.639 56.100 0.002 0.000 0.952 395 R CB -0.664 29.637 30.300 0.001 0.000 0.850 395 R HN 0.396 nan 8.270 nan 0.000 0.433 396 V N 1.409 121.328 119.914 0.009 0.000 2.332 396 V HA -0.261 3.859 4.120 -0.001 0.000 0.248 396 V C 2.048 178.155 176.094 0.021 0.000 1.055 396 V CA 1.881 64.188 62.300 0.013 0.000 1.038 396 V CB -0.486 31.343 31.823 0.009 0.000 0.651 396 V HN 0.372 nan 8.190 nan 0.000 0.450 397 E N -0.135 120.078 120.200 0.021 0.000 2.058 397 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 397 E C 2.036 178.669 176.600 0.054 0.000 0.997 397 E CA 1.588 58.008 56.400 0.033 0.000 0.801 397 E CB -0.186 29.527 29.700 0.022 0.000 0.746 397 E HN 0.632 nan 8.360 nan 0.000 0.450 398 D N 0.326 120.745 120.400 0.032 0.000 2.084 398 D HA -0.128 4.511 4.640 -0.001 0.000 0.196 398 D C 1.976 178.316 176.300 0.067 0.000 0.985 398 D CA 1.277 55.297 54.000 0.033 0.000 0.826 398 D CB -0.365 40.434 40.800 -0.002 0.000 0.978 398 D HN 0.144 nan 8.370 nan 0.000 0.456 399 A N 1.203 124.049 122.820 0.042 0.000 1.917 399 A HA -0.202 4.118 4.320 -0.001 0.000 0.219 399 A C 2.209 179.823 177.584 0.049 0.000 1.182 399 A CA 1.391 53.452 52.037 0.039 0.000 0.633 399 A CB -0.850 18.163 19.000 0.022 0.000 0.819 399 A HN 0.249 nan 8.150 nan 0.000 0.448 400 L N -0.851 120.402 121.223 0.051 0.000 2.017 400 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 400 L C 2.415 179.315 176.870 0.049 0.000 1.073 400 L CA 2.749 57.612 54.840 0.040 0.000 0.745 400 L CB -0.851 41.229 42.059 0.034 0.000 0.894 400 L HN 0.633 nan 8.230 nan 0.000 0.432 401 H N -0.274 118.795 119.070 -0.003 0.000 2.321 401 H HA -0.117 4.438 4.556 -0.001 0.000 0.300 401 H C 1.928 177.256 175.328 -0.000 0.000 1.087 401 H CA 1.752 57.799 56.048 -0.002 0.000 1.319 401 H CB 0.107 29.867 29.762 -0.003 0.000 1.379 401 H HN 0.476 nan 8.280 nan 0.000 0.501 402 A N -0.102 122.833 122.820 0.191 0.000 1.898 402 A HA -0.124 4.196 4.320 -0.001 0.000 0.216 402 A C 2.667 180.275 177.584 0.040 0.000 1.181 402 A CA 1.959 54.071 52.037 0.124 0.000 0.620 402 A CB -0.950 18.105 19.000 0.091 0.000 0.819 402 A HN 0.516 nan 8.150 nan 0.000 0.442 403 T N -0.560 114.008 114.554 0.023 0.000 2.788 403 T HA -0.124 4.226 4.350 -0.001 0.000 0.268 403 T C 2.147 176.835 174.700 -0.019 0.000 1.044 403 T CA 1.274 63.376 62.100 0.003 0.000 1.139 403 T CB -0.239 68.631 68.868 0.004 0.000 0.867 403 T HN 0.319 nan 8.240 nan 0.000 0.454 404 R N 1.655 122.126 120.500 -0.048 0.000 2.070 404 R HA 0.053 4.392 4.340 -0.001 0.000 0.233 404 R C 2.576 178.831 176.300 -0.075 0.000 1.137 404 R CA 1.940 57.993 56.100 -0.078 0.000 0.945 404 R CB -1.145 29.070 30.300 -0.142 0.000 0.845 404 R HN 0.410 nan 8.270 nan 0.000 0.430 405 A N 0.547 123.315 122.820 -0.087 0.000 1.902 405 A HA -0.097 4.223 4.320 -0.001 0.000 0.217 405 A C 2.410 179.983 177.584 -0.017 0.000 1.181 405 A CA 2.127 54.134 52.037 -0.050 0.000 0.623 405 A CB -0.859 18.130 19.000 -0.019 0.000 0.818 405 A HN 0.458 nan 8.150 nan 0.000 0.443 406 A N -0.594 122.222 122.820 -0.007 0.000 1.908 406 A HA -0.065 4.255 4.320 -0.001 0.000 0.218 406 A C 2.233 179.814 177.584 -0.004 0.000 1.181 406 A CA 1.932 53.969 52.037 0.001 0.000 0.627 406 A CB -1.014 17.989 19.000 0.005 0.000 0.818 406 A HN 0.434 nan 8.150 nan 0.000 0.445 407 V N 0.029 119.936 119.914 -0.011 0.000 2.407 407 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 407 V C 2.409 178.497 176.094 -0.010 0.000 1.055 407 V CA 2.322 64.616 62.300 -0.010 0.000 1.049 407 V CB -0.803 31.011 31.823 -0.015 0.000 0.662 407 V HN 0.655 nan 8.190 nan 0.000 0.455 408 E N -0.178 120.013 120.200 -0.015 0.000 2.047 408 E HA -0.177 4.173 4.350 -0.001 0.000 0.191 408 E C 1.592 178.189 176.600 -0.005 0.000 0.987 408 E CA 1.412 57.805 56.400 -0.011 0.000 0.799 408 E CB 0.002 29.692 29.700 -0.017 0.000 0.752 408 E HN 0.665 nan 8.360 nan 0.000 0.449 409 E N -0.783 119.416 120.200 -0.002 0.000 2.715 409 E HA 0.238 4.587 4.350 -0.001 0.000 0.224 409 E C 0.079 176.682 176.600 0.004 0.000 0.962 409 E CA 0.075 56.476 56.400 0.002 0.000 1.145 409 E CB 1.644 31.347 29.700 0.004 0.000 1.083 409 E HN 0.230 nan 8.360 nan 0.000 0.506 410 G N 1.118 109.921 108.800 0.004 0.000 2.728 410 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.294 410 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.294 410 G C -0.271 174.635 174.900 0.009 0.000 1.342 410 G CA -0.494 44.610 45.100 0.006 0.000 0.866 410 G HN 0.454 nan 8.290 nan 0.000 0.534 411 V N -2.593 117.327 119.914 0.010 0.000 2.960 411 V HA 0.987 5.106 4.120 -0.001 0.000 0.315 411 V C 0.689 176.791 176.094 0.014 0.000 1.087 411 V CA 0.005 62.313 62.300 0.013 0.000 0.982 411 V CB 1.304 33.134 31.823 0.012 0.000 1.039 411 V HN 2.428 nan 8.190 nan 0.000 0.437 412 V N -1.288 118.635 119.914 0.015 0.000 3.160 412 V HA 1.007 5.126 4.120 -0.001 0.000 0.310 412 V C 0.382 176.486 176.094 0.017 0.000 1.181 412 V CA -0.722 61.589 62.300 0.017 0.000 1.047 412 V CB 1.229 33.063 31.823 0.018 0.000 1.068 412 V HN 1.962 nan 8.190 nan 0.000 0.441 413 A N 0.773 123.605 122.820 0.020 0.000 2.511 413 A HA 0.665 4.985 4.320 -0.001 0.000 0.242 413 A C 0.851 178.444 177.584 0.014 0.000 1.069 413 A CA 0.649 52.697 52.037 0.018 0.000 0.763 413 A CB -0.371 18.645 19.000 0.025 0.000 1.001 413 A HN 1.964 nan 8.150 nan 0.000 0.498 414 G N 0.429 109.233 108.800 0.007 0.000 2.509 414 G HA2 0.516 4.475 3.960 -0.001 0.000 0.269 414 G HA3 0.516 4.475 3.960 -0.001 0.000 0.269 414 G C 1.119 176.020 174.900 0.002 0.000 1.416 414 G CA -0.051 45.052 45.100 0.004 0.000 1.052 414 G HN 2.239 nan 8.290 nan 0.000 0.542 415 G N -1.974 106.826 108.800 0.000 0.000 2.233 415 G HA2 0.203 4.162 3.960 -0.001 0.000 0.270 415 G HA3 0.203 4.162 3.960 -0.001 0.000 0.270 415 G C 1.515 176.424 174.900 0.016 0.000 1.011 415 G CA 1.246 46.349 45.100 0.005 0.000 0.762 415 G HN 2.463 nan 8.290 nan 0.000 0.511 416 G N -2.416 106.393 108.800 0.015 0.000 2.168 416 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.263 416 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.263 416 G C 1.879 176.792 174.900 0.021 0.000 0.977 416 G CA 1.934 47.045 45.100 0.018 0.000 0.659 416 G HN 2.224 nan 8.290 nan 0.000 0.533 417 V N -1.337 118.590 119.914 0.022 0.000 2.591 417 V HA 0.363 4.483 4.120 -0.001 0.000 0.249 417 V C 2.779 178.892 176.094 0.033 0.000 1.053 417 V CA 2.054 64.372 62.300 0.030 0.000 1.068 417 V CB -0.556 31.286 31.823 0.031 0.000 0.689 417 V HN 1.407 nan 8.190 nan 0.000 0.462 418 A N 0.795 123.631 122.820 0.027 0.000 1.883 418 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 418 A C 2.237 179.835 177.584 0.024 0.000 1.186 418 A CA 2.384 54.436 52.037 0.026 0.000 0.624 418 A CB -0.796 18.217 19.000 0.022 0.000 0.822 418 A HN 0.614 nan 8.150 nan 0.000 0.444 419 L N -0.809 120.427 121.223 0.022 0.000 2.141 419 L HA -0.121 4.218 4.340 -0.001 0.000 0.209 419 L C 2.444 179.327 176.870 0.021 0.000 1.094 419 L CA 0.875 55.727 54.840 0.019 0.000 0.763 419 L CB -0.367 41.703 42.059 0.017 0.000 0.908 419 L HN 0.397 nan 8.230 nan 0.000 0.437 420 I N -0.812 119.774 120.570 0.026 0.000 2.353 420 I HA -0.219 3.950 4.170 -0.001 0.000 0.248 420 I C 2.650 178.787 176.117 0.034 0.000 1.119 420 I CA 0.752 62.069 61.300 0.030 0.000 1.417 420 I CB -0.175 37.846 38.000 0.036 0.000 1.078 420 I HN 0.253 nan 8.210 nan 0.000 0.421 421 R N 0.237 120.759 120.500 0.037 0.000 2.092 421 R HA -0.069 4.270 4.340 -0.001 0.000 0.231 421 R C 2.226 178.543 176.300 0.028 0.000 1.119 421 R CA 0.995 57.117 56.100 0.038 0.000 0.970 421 R CB -0.932 29.393 30.300 0.042 0.000 0.864 421 R HN 0.251 nan 8.270 nan 0.000 0.440 422 V N 1.387 121.314 119.914 0.023 0.000 2.343 422 V HA -0.209 3.910 4.120 -0.001 0.000 0.247 422 V C 2.562 178.665 176.094 0.015 0.000 1.051 422 V CA 1.800 64.110 62.300 0.017 0.000 1.036 422 V CB -0.862 30.970 31.823 0.014 0.000 0.654 422 V HN 0.301 nan 8.190 nan 0.000 0.451 423 A N 0.929 123.759 122.820 0.016 0.000 1.883 423 A HA -0.242 4.078 4.320 -0.001 0.000 0.217 423 A C 2.555 180.148 177.584 0.015 0.000 1.186 423 A CA 2.496 54.542 52.037 0.014 0.000 0.624 423 A CB -0.885 18.124 19.000 0.015 0.000 0.822 423 A HN 0.698 nan 8.150 nan 0.000 0.444 424 S N -0.030 115.681 115.700 0.019 0.000 2.399 424 S HA -0.157 4.312 4.470 -0.001 0.000 0.231 424 S C 1.674 176.283 174.600 0.015 0.000 1.022 424 S CA 1.463 59.674 58.200 0.018 0.000 0.983 424 S CB -0.386 62.829 63.200 0.024 0.000 0.803 424 S HN 0.616 nan 8.310 nan 0.000 0.480 425 K N 0.780 121.189 120.400 0.015 0.000 2.439 425 K HA 0.213 4.533 4.320 -0.001 0.000 0.197 425 K C 1.030 177.636 176.600 0.009 0.000 1.041 425 K CA 0.553 56.847 56.287 0.012 0.000 0.970 425 K CB -0.214 32.294 32.500 0.012 0.000 0.773 425 K HN 0.456 nan 8.250 nan 0.000 0.479 426 L N -0.248 120.980 121.223 0.009 0.000 2.769 426 L HA 0.224 4.563 4.340 -0.001 0.000 0.240 426 L C 1.828 178.702 176.870 0.006 0.000 1.163 426 L CA -0.200 54.644 54.840 0.006 0.000 0.962 426 L CB 0.029 42.092 42.059 0.005 0.000 1.258 426 L HN 0.014 nan 8.230 nan 0.000 0.513 427 A N 0.231 123.055 122.820 0.007 0.000 2.032 427 A HA -0.207 4.112 4.320 -0.001 0.000 0.221 427 A C 1.615 179.202 177.584 0.005 0.000 1.165 427 A CA 1.778 53.819 52.037 0.006 0.000 0.645 427 A CB -0.215 18.789 19.000 0.007 0.000 0.807 427 A HN 0.360 nan 8.150 nan 0.000 0.453 428 D N -1.302 119.101 120.400 0.004 0.000 2.349 428 D HA 0.147 4.786 4.640 -0.001 0.000 0.214 428 D C 0.274 176.576 176.300 0.003 0.000 1.063 428 D CA -0.246 53.756 54.000 0.003 0.000 0.847 428 D CB -0.070 40.731 40.800 0.003 0.000 0.933 428 D HN 0.347 nan 8.370 nan 0.000 0.513 429 L N 2.000 123.224 121.223 0.003 0.000 2.540 429 L HA 0.055 4.395 4.340 -0.001 0.000 0.276 429 L C 0.127 176.998 176.870 0.002 0.000 1.212 429 L CA 0.660 55.501 54.840 0.002 0.000 0.893 429 L CB 0.138 42.198 42.059 0.002 0.000 1.138 429 L HN -0.213 nan 8.230 nan 0.000 0.491 430 R N 3.184 123.684 120.500 0.001 0.000 2.808 430 R HA 0.686 5.025 4.340 -0.001 0.000 0.272 430 R C -0.164 176.136 176.300 0.001 0.000 0.995 430 R CA -0.307 55.794 56.100 0.001 0.000 0.917 430 R CB 1.490 31.791 30.300 0.001 0.000 1.217 430 R HN 0.808 nan 8.270 nan 0.000 0.471 431 G N -0.293 108.508 108.800 0.001 0.000 2.990 431 G HA2 0.200 4.159 3.960 -0.001 0.000 0.208 431 G HA3 0.200 4.159 3.960 -0.001 0.000 0.208 431 G C 0.071 174.971 174.900 0.001 0.000 1.334 431 G CA -0.229 44.871 45.100 0.001 0.000 1.024 431 G HN 0.418 nan 8.290 nan 0.000 0.574 432 Q N -0.470 119.330 119.800 0.001 0.000 2.389 432 Q HA 0.125 4.465 4.340 -0.001 0.000 0.204 432 Q C 0.008 176.008 176.000 0.001 0.000 0.944 432 Q CA 0.781 56.584 55.803 0.001 0.000 0.908 432 Q CB 0.117 28.856 28.738 0.001 0.000 1.002 432 Q HN 0.616 nan 8.270 nan 0.000 0.493 433 N N -2.875 115.825 118.700 0.001 0.000 3.106 433 N HA 0.349 5.088 4.740 -0.001 0.000 0.253 433 N C -0.179 175.332 175.510 0.002 0.000 1.506 433 N CA -0.085 52.966 53.050 0.001 0.000 0.876 433 N CB 0.137 38.625 38.487 0.002 0.000 1.452 433 N HN -0.148 nan 8.380 nan 0.000 0.542 434 A N -0.336 122.485 122.820 0.002 0.000 1.908 434 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 434 A C 1.226 178.812 177.584 0.002 0.000 1.181 434 A CA 1.990 54.028 52.037 0.002 0.000 0.627 434 A CB -0.999 18.002 19.000 0.002 0.000 0.818 434 A HN 0.727 nan 8.150 nan 0.000 0.445 435 D N -0.484 119.917 120.400 0.002 0.000 2.144 435 D HA -0.142 4.497 4.640 -0.001 0.000 0.199 435 D C 2.169 178.471 176.300 0.003 0.000 0.984 435 D CA 1.338 55.340 54.000 0.003 0.000 0.834 435 D CB -0.376 40.426 40.800 0.004 0.000 0.955 435 D HN 0.624 nan 8.370 nan 0.000 0.465 436 Q N 0.079 119.880 119.800 0.003 0.000 2.119 436 Q HA -0.085 4.255 4.340 -0.001 0.000 0.201 436 Q C 1.785 177.787 176.000 0.002 0.000 0.972 436 Q CA 0.679 56.484 55.803 0.003 0.000 0.847 436 Q CB 0.027 28.766 28.738 0.002 0.000 0.903 436 Q HN 0.245 nan 8.270 nan 0.000 0.433 437 N N 0.077 118.778 118.700 0.002 0.000 2.166 437 N HA -0.118 4.621 4.740 -0.001 0.000 0.186 437 N C 1.847 177.358 175.510 0.003 0.000 1.019 437 N CA 0.917 53.968 53.050 0.002 0.000 0.856 437 N CB -0.272 38.216 38.487 0.002 0.000 0.993 437 N HN 0.045 nan 8.380 nan 0.000 0.426 438 V N 0.941 120.857 119.914 0.003 0.000 2.343 438 V HA -0.152 3.967 4.120 -0.001 0.000 0.247 438 V C 2.442 178.538 176.094 0.004 0.000 1.051 438 V CA 2.010 64.312 62.300 0.003 0.000 1.036 438 V CB -1.219 30.606 31.823 0.003 0.000 0.654 438 V HN 0.338 nan 8.190 nan 0.000 0.451 439 G N -0.082 108.721 108.800 0.004 0.000 2.446 439 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.217 439 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.217 439 G C 1.581 176.483 174.900 0.004 0.000 1.168 439 G CA 1.122 46.224 45.100 0.004 0.000 0.771 439 G HN 0.487 nan 8.290 nan 0.000 0.551 440 I N 0.373 120.944 120.570 0.003 0.000 2.163 440 I HA -0.169 4.000 4.170 -0.001 0.000 0.243 440 I C 2.700 178.819 176.117 0.004 0.000 1.085 440 I CA 1.116 62.417 61.300 0.003 0.000 1.347 440 I CB -0.081 37.920 38.000 0.002 0.000 1.044 440 I HN 0.006 nan 8.210 nan 0.000 0.408 441 K N 0.437 120.839 120.400 0.004 0.000 2.148 441 K HA -0.056 4.263 4.320 -0.001 0.000 0.204 441 K C 2.127 178.730 176.600 0.005 0.000 1.050 441 K CA 0.943 57.232 56.287 0.004 0.000 0.942 441 K CB -0.704 31.799 32.500 0.004 0.000 0.724 441 K HN 0.211 nan 8.250 nan 0.000 0.446 442 V N 1.664 121.581 119.914 0.005 0.000 2.332 442 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 442 V C 2.448 178.545 176.094 0.006 0.000 1.055 442 V CA 2.082 64.385 62.300 0.006 0.000 1.038 442 V CB -0.761 31.066 31.823 0.006 0.000 0.651 442 V HN 0.297 nan 8.190 nan 0.000 0.450 443 A N -0.317 122.506 122.820 0.006 0.000 1.898 443 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 443 A C 2.167 179.754 177.584 0.006 0.000 1.181 443 A CA 1.556 53.596 52.037 0.006 0.000 0.620 443 A CB -0.485 18.517 19.000 0.003 0.000 0.819 443 A HN 0.505 nan 8.150 nan 0.000 0.442 444 L N -1.267 119.960 121.223 0.006 0.000 2.131 444 L HA -0.139 4.200 4.340 -0.001 0.000 0.210 444 L C 2.777 179.652 176.870 0.008 0.000 1.092 444 L CA 1.513 56.358 54.840 0.007 0.000 0.759 444 L CB -0.516 41.547 42.059 0.007 0.000 0.903 444 L HN 0.399 nan 8.230 nan 0.000 0.435 445 R N 0.310 120.814 120.500 0.008 0.000 2.075 445 R HA -0.109 4.231 4.340 -0.001 0.000 0.232 445 R C 2.401 178.706 176.300 0.008 0.000 1.126 445 R CA 1.253 57.357 56.100 0.007 0.000 0.963 445 R CB -0.192 30.112 30.300 0.006 0.000 0.858 445 R HN 0.337 nan 8.270 nan 0.000 0.435 446 A N 0.542 123.367 122.820 0.008 0.000 2.019 446 A HA -0.152 4.167 4.320 -0.001 0.000 0.219 446 A C 2.037 179.628 177.584 0.010 0.000 1.164 446 A CA 1.223 53.265 52.037 0.009 0.000 0.644 446 A CB -0.375 18.631 19.000 0.010 0.000 0.805 446 A HN 0.308 nan 8.150 nan 0.000 0.449 447 M N -0.638 118.968 119.600 0.011 0.000 2.539 447 M HA -0.142 4.337 4.480 -0.001 0.000 0.261 447 M C 1.442 177.750 176.300 0.013 0.000 1.069 447 M CA 1.173 56.480 55.300 0.012 0.000 1.081 447 M CB -0.244 32.363 32.600 0.012 0.000 1.412 447 M HN 0.484 nan 8.290 nan 0.000 0.482 448 E N -0.074 120.132 120.200 0.011 0.000 2.400 448 E HA 0.051 4.401 4.350 -0.001 0.000 0.195 448 E C 2.073 178.677 176.600 0.007 0.000 1.012 448 E CA 0.420 56.826 56.400 0.010 0.000 0.875 448 E CB 0.086 29.791 29.700 0.009 0.000 0.859 448 E HN 0.474 nan 8.360 nan 0.000 0.498 449 A N 2.412 125.237 122.820 0.007 0.000 1.917 449 A HA -0.146 4.174 4.320 -0.001 0.000 0.219 449 A C -0.339 177.249 177.584 0.006 0.000 1.182 449 A CA 1.356 53.396 52.037 0.006 0.000 0.633 449 A CB -1.374 17.630 19.000 0.008 0.000 0.819 449 A HN 0.130 nan 8.150 nan 0.000 0.448 450 P HA -0.160 nan 4.420 nan 0.000 0.214 450 P C 1.844 179.149 177.300 0.009 0.000 1.163 450 P CA 1.047 64.153 63.100 0.010 0.000 0.883 450 P CB -0.139 31.569 31.700 0.014 0.000 0.788 451 L N -0.749 120.480 121.223 0.009 0.000 2.042 451 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 451 L C 2.436 179.302 176.870 -0.007 0.000 1.076 451 L CA 1.765 56.609 54.840 0.008 0.000 0.749 451 L CB -0.309 41.755 42.059 0.009 0.000 0.893 451 L HN -0.189 nan 8.230 nan 0.000 0.432 452 R N -0.764 119.729 120.500 -0.011 0.000 2.081 452 R HA -0.229 4.111 4.340 -0.001 0.000 0.235 452 R C 2.349 178.639 176.300 -0.016 0.000 1.131 452 R CA 1.750 57.837 56.100 -0.021 0.000 0.960 452 R CB -0.381 29.911 30.300 -0.014 0.000 0.856 452 R HN 0.381 nan 8.270 nan 0.000 0.436 453 Q N 0.992 120.789 119.800 -0.005 0.000 2.119 453 Q HA -0.060 4.279 4.340 -0.001 0.000 0.201 453 Q C 1.801 177.803 176.000 0.003 0.000 0.972 453 Q CA 1.436 57.238 55.803 -0.002 0.000 0.847 453 Q CB -0.092 28.647 28.738 0.002 0.000 0.903 453 Q HN 0.354 nan 8.270 nan 0.000 0.433 454 I N -0.820 119.755 120.570 0.008 0.000 2.226 454 I HA -0.262 3.907 4.170 -0.001 0.000 0.245 454 I C 1.956 178.092 176.117 0.032 0.000 1.100 454 I CA 0.872 62.184 61.300 0.021 0.000 1.374 454 I CB -0.223 37.796 38.000 0.032 0.000 1.057 454 I HN 0.069 nan 8.210 nan 0.000 0.413 455 V N 0.554 120.475 119.914 0.011 0.000 2.307 455 V HA -0.274 3.845 4.120 -0.001 0.000 0.245 455 V C 2.389 178.476 176.094 -0.012 0.000 1.045 455 V CA 1.571 63.861 62.300 -0.017 0.000 1.024 455 V CB -0.527 31.215 31.823 -0.134 0.000 0.651 455 V HN 0.343 nan 8.190 nan 0.000 0.449 456 L N 0.970 122.184 121.223 -0.016 0.000 2.042 456 L HA -0.183 4.156 4.340 -0.001 0.000 0.210 456 L C 2.190 179.061 176.870 0.001 0.000 1.076 456 L CA 1.992 56.825 54.840 -0.010 0.000 0.749 456 L CB -0.873 41.180 42.059 -0.009 0.000 0.893 456 L HN 0.343 nan 8.230 nan 0.000 0.432 457 N N -1.280 117.424 118.700 0.006 0.000 2.309 457 N HA -0.152 4.588 4.740 -0.001 0.000 0.182 457 N C 1.802 177.320 175.510 0.015 0.000 1.018 457 N CA 1.531 54.586 53.050 0.008 0.000 0.876 457 N CB -0.746 37.746 38.487 0.007 0.000 0.972 457 N HN 0.430 nan 8.380 nan 0.000 0.434 458 C N -0.497 118.819 119.300 0.028 0.000 2.448 458 C HA 0.157 4.617 4.460 -0.001 0.000 0.280 458 C C 1.743 176.751 174.990 0.030 0.000 1.398 458 C CA 0.697 59.739 59.018 0.041 0.000 1.774 458 C CB -1.157 26.638 27.740 0.093 0.000 1.888 458 C HN 0.651 nan 8.230 nan 0.000 0.519 459 G N 0.431 109.242 108.800 0.018 0.000 2.131 459 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.223 459 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.223 459 G C -0.231 174.675 174.900 0.010 0.000 0.990 459 G CA 0.104 45.211 45.100 0.012 0.000 0.671 459 G HN 0.474 nan 8.290 nan 0.000 0.521 460 E N 0.184 120.385 120.200 0.003 0.000 2.284 460 E HA 0.482 4.831 4.350 -0.001 0.000 0.255 460 E C 0.156 176.732 176.600 -0.041 0.000 1.052 460 E CA -0.710 55.680 56.400 -0.017 0.000 0.904 460 E CB 0.625 30.301 29.700 -0.040 0.000 1.217 460 E HN 0.491 nan 8.360 nan 0.000 0.438 461 E N 1.450 121.618 120.200 -0.053 0.000 2.089 461 E HA 0.144 4.493 4.350 -0.001 0.000 0.284 461 E C -1.766 174.789 176.600 -0.075 0.000 1.023 461 E CA -1.614 54.758 56.400 -0.048 0.000 0.819 461 E CB 1.048 30.731 29.700 -0.028 0.000 1.076 461 E HN 0.110 nan 8.360 nan 0.000 0.396 462 P HA -0.185 nan 4.420 nan 0.000 0.215 462 P C 1.171 178.440 177.300 -0.052 0.000 1.157 462 P CA 1.168 64.230 63.100 -0.064 0.000 0.874 462 P CB 0.321 31.998 31.700 -0.038 0.000 0.790 463 S N -1.080 114.600 115.700 -0.032 0.000 2.383 463 S HA -0.094 4.376 4.470 -0.001 0.000 0.227 463 S C 1.939 176.529 174.600 -0.017 0.000 1.026 463 S CA 1.000 59.189 58.200 -0.020 0.000 0.981 463 S CB -1.035 62.158 63.200 -0.012 0.000 0.818 463 S HN -0.073 nan 8.310 nan 0.000 0.472 464 V N 1.241 121.141 119.914 -0.023 0.000 2.244 464 V HA -0.126 3.993 4.120 -0.001 0.000 0.244 464 V C 2.314 178.409 176.094 0.000 0.000 1.042 464 V CA 1.506 63.800 62.300 -0.009 0.000 1.006 464 V CB -0.749 31.070 31.823 -0.007 0.000 0.641 464 V HN 0.331 nan 8.190 nan 0.000 0.446 465 V N 0.435 120.316 119.914 -0.054 0.000 2.332 465 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 465 V C 2.724 178.821 176.094 0.005 0.000 1.055 465 V CA 2.062 64.320 62.300 -0.070 0.000 1.038 465 V CB -1.253 30.315 31.823 -0.424 0.000 0.651 465 V HN 0.559 nan 8.190 nan 0.000 0.450 466 A N 0.420 123.226 122.820 -0.023 0.000 1.908 466 A HA -0.315 4.005 4.320 -0.001 0.000 0.218 466 A C 2.078 179.684 177.584 0.036 0.000 1.181 466 A CA 2.452 54.494 52.037 0.008 0.000 0.627 466 A CB -0.900 18.097 19.000 -0.004 0.000 0.818 466 A HN 0.634 nan 8.150 nan 0.000 0.445 467 N N -0.771 117.945 118.700 0.027 0.000 2.120 467 N HA -0.125 4.614 4.740 -0.001 0.000 0.188 467 N C 1.688 177.225 175.510 0.046 0.000 1.024 467 N CA 2.323 55.390 53.050 0.028 0.000 0.852 467 N CB -0.336 38.159 38.487 0.013 0.000 1.003 467 N HN 0.401 nan 8.380 nan 0.000 0.424 468 T N -0.485 114.104 114.554 0.058 0.000 2.708 468 T HA -0.076 4.274 4.350 -0.001 0.000 0.266 468 T C 1.960 176.771 174.700 0.185 0.000 1.037 468 T CA 1.313 63.444 62.100 0.052 0.000 1.146 468 T CB -0.461 68.363 68.868 -0.073 0.000 0.865 468 T HN 0.023 nan 8.240 nan 0.000 0.435 469 V N 1.660 121.708 119.914 0.222 0.000 2.343 469 V HA -0.171 3.948 4.120 -0.001 0.000 0.247 469 V C 2.472 178.694 176.094 0.215 0.000 1.051 469 V CA 1.530 63.974 62.300 0.240 0.000 1.036 469 V CB -0.503 31.401 31.823 0.134 0.000 0.654 469 V HN 0.464 nan 8.190 nan 0.000 0.451 470 K N 0.212 120.689 120.400 0.128 0.000 2.209 470 K HA -0.097 4.223 4.320 -0.001 0.000 0.204 470 K C 2.210 178.859 176.600 0.083 0.000 1.048 470 K CA 1.267 57.609 56.287 0.090 0.000 0.940 470 K CB -0.524 32.010 32.500 0.055 0.000 0.729 470 K HN 0.581 nan 8.250 nan 0.000 0.451 471 G N 1.212 110.063 108.800 0.084 0.000 2.408 471 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.217 471 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.217 471 G C 0.904 175.813 174.900 0.014 0.000 1.150 471 G CA 0.856 45.978 45.100 0.036 0.000 0.776 471 G HN 0.389 nan 8.290 nan 0.000 0.542 472 G N -0.109 108.736 108.800 0.075 0.000 2.582 472 G HA2 0.484 4.443 3.960 -0.001 0.000 0.232 472 G HA3 0.484 4.443 3.960 -0.001 0.000 0.232 472 G C -0.484 174.455 174.900 0.064 0.000 1.458 472 G CA 0.389 45.467 45.100 -0.037 0.000 1.062 472 G HN 0.489 nan 8.290 nan 0.000 0.566 473 D N -4.172 116.276 120.400 0.080 0.000 2.692 473 D HA 0.508 5.148 4.640 -0.001 0.000 0.303 473 D C 0.602 176.971 176.300 0.114 0.000 1.278 473 D CA 0.471 54.523 54.000 0.087 0.000 0.852 473 D CB 0.392 41.212 40.800 0.033 0.000 1.375 473 D HN 1.604 nan 8.370 nan 0.000 0.453 474 G N 0.361 109.211 108.800 0.083 0.000 2.596 474 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.295 474 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.295 474 G C 0.339 175.303 174.900 0.106 0.000 1.240 474 G CA 0.504 45.652 45.100 0.080 0.000 0.985 474 G HN 0.795 nan 8.290 nan 0.000 0.555 475 N N -0.089 118.675 118.700 0.106 0.000 2.434 475 N HA 0.178 4.917 4.740 -0.001 0.000 0.196 475 N C 0.356 175.954 175.510 0.147 0.000 1.183 475 N CA -0.018 53.092 53.050 0.101 0.000 0.849 475 N CB 0.110 38.641 38.487 0.073 0.000 0.992 475 N HN 0.473 nan 8.380 nan 0.000 0.460 476 Y N 1.590 121.925 120.300 0.058 0.000 2.544 476 Y HA 0.311 4.861 4.550 -0.001 0.000 0.330 476 Y C 0.653 176.624 175.900 0.119 0.000 1.136 476 Y CA 0.041 58.193 58.100 0.086 0.000 1.417 476 Y CB 0.083 38.589 38.460 0.077 0.000 1.229 476 Y HN -0.010 nan 8.280 nan 0.000 0.532 477 G N 4.204 112.794 108.800 -0.350 0.000 2.663 477 G HA2 0.272 4.231 3.960 -0.001 0.000 0.299 477 G HA3 0.272 4.231 3.960 -0.001 0.000 0.299 477 G C -2.468 172.294 174.900 -0.230 0.000 1.372 477 G CA -0.961 43.999 45.100 -0.234 0.000 0.781 477 G HN 0.515 nan 8.290 nan 0.000 0.491 478 Y N 1.613 121.728 120.300 -0.308 0.000 2.335 478 Y HA 0.529 5.079 4.550 -0.001 0.000 0.339 478 Y C 0.109 175.837 175.900 -0.286 0.000 0.987 478 Y CA -1.314 56.514 58.100 -0.452 0.000 1.140 478 Y CB 1.331 39.506 38.460 -0.476 0.000 1.173 478 Y HN 0.421 nan 8.280 nan 0.000 0.486 479 N N 4.878 123.167 118.700 -0.684 0.000 2.439 479 N HA 0.144 4.883 4.740 -0.001 0.000 0.243 479 N C 0.428 175.493 175.510 -0.742 0.000 1.088 479 N CA 0.540 53.283 53.050 -0.512 0.000 0.940 479 N CB 1.326 39.600 38.487 -0.356 0.000 1.180 479 N HN 0.904 nan 8.380 nan 0.000 0.505 480 A N 3.582 126.130 122.820 -0.453 0.000 2.067 480 A HA 0.005 4.325 4.320 -0.001 0.000 0.219 480 A C 1.970 179.429 177.584 -0.208 0.000 1.158 480 A CA 1.461 53.322 52.037 -0.293 0.000 0.661 480 A CB -0.277 18.702 19.000 -0.036 0.000 0.801 480 A HN 0.706 nan 8.150 nan 0.000 0.452 481 A N -0.417 122.288 122.820 -0.192 0.000 1.930 481 A HA -0.001 4.319 4.320 -0.001 0.000 0.215 481 A C 2.301 179.802 177.584 -0.138 0.000 1.176 481 A CA 2.131 54.091 52.037 -0.128 0.000 0.632 481 A CB -0.775 18.166 19.000 -0.099 0.000 0.819 481 A HN 0.723 nan 8.150 nan 0.000 0.445 482 T N -3.885 110.552 114.554 -0.195 0.000 3.022 482 T HA 0.191 4.540 4.350 -0.001 0.000 0.250 482 T C 0.208 174.785 174.700 -0.206 0.000 1.060 482 T CA 0.652 62.653 62.100 -0.165 0.000 1.013 482 T CB -0.175 68.607 68.868 -0.143 0.000 0.982 482 T HN 0.517 nan 8.240 nan 0.000 0.508 483 E N 1.251 121.224 120.200 -0.377 0.000 2.416 483 E HA -0.124 4.226 4.350 -0.001 0.000 0.249 483 E C -0.904 175.483 176.600 -0.356 0.000 1.124 483 E CA 0.535 56.675 56.400 -0.434 0.000 0.732 483 E CB -1.357 28.297 29.700 -0.078 0.000 1.286 483 E HN 0.660 nan 8.360 nan 0.000 0.394 484 E N -0.228 119.674 120.200 -0.497 0.000 2.317 484 E HA 0.409 4.759 4.350 -0.001 0.000 0.270 484 E C -0.425 175.988 176.600 -0.313 0.000 0.885 484 E CA -0.750 55.515 56.400 -0.225 0.000 0.760 484 E CB 1.027 30.667 29.700 -0.099 0.000 1.227 484 E HN 0.036 nan 8.360 nan 0.000 0.434 485 Y N 0.110 120.403 120.300 -0.011 0.000 2.326 485 Y HA 0.593 5.142 4.550 -0.000 0.000 0.324 485 Y C 1.255 177.139 175.900 -0.026 0.000 1.291 485 Y CA 0.667 58.736 58.100 -0.051 0.000 1.348 485 Y CB 1.502 39.983 38.460 0.036 0.000 1.294 485 Y HN 0.673 nan 8.280 nan 0.000 0.525 486 G N 0.568 109.415 108.800 0.079 0.000 2.317 486 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.293 486 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.293 486 G C -1.902 173.065 174.900 0.113 0.000 1.287 486 G CA -1.191 43.996 45.100 0.145 0.000 0.850 486 G HN 0.524 nan 8.290 nan 0.000 0.515 487 N N 1.080 119.851 118.700 0.117 0.000 2.401 487 N HA 0.131 4.870 4.740 -0.001 0.000 0.255 487 N C 1.715 177.248 175.510 0.038 0.000 1.110 487 N CA -0.538 52.571 53.050 0.098 0.000 0.949 487 N CB 0.824 39.365 38.487 0.090 0.000 1.110 487 N HN 0.369 nan 8.380 nan 0.000 0.490 488 M N 3.399 123.013 119.600 0.023 0.000 2.149 488 M HA -0.170 4.309 4.480 -0.001 0.000 0.261 488 M C 1.586 177.889 176.300 0.004 0.000 1.064 488 M CA 1.102 56.400 55.300 -0.003 0.000 1.102 488 M CB -0.610 31.988 32.600 -0.004 0.000 1.369 488 M HN 0.538 nan 8.290 nan 0.000 0.408 489 I N 0.477 121.058 120.570 0.018 0.000 2.202 489 I HA -0.238 3.931 4.170 -0.001 0.000 0.242 489 I C 1.887 178.012 176.117 0.012 0.000 1.091 489 I CA 1.359 62.669 61.300 0.015 0.000 1.368 489 I CB -1.621 36.392 38.000 0.022 0.000 1.058 489 I HN 0.235 nan 8.210 nan 0.000 0.410 490 D N 0.569 120.979 120.400 0.018 0.000 2.178 490 D HA -0.136 4.503 4.640 -0.001 0.000 0.201 490 D C 2.178 178.480 176.300 0.005 0.000 0.980 490 D CA 1.088 55.097 54.000 0.015 0.000 0.842 490 D CB -0.119 40.696 40.800 0.024 0.000 0.948 490 D HN 0.350 nan 8.370 nan 0.000 0.472 491 M N -0.650 118.949 119.600 -0.002 0.000 2.561 491 M HA 0.151 4.631 4.480 -0.001 0.000 0.238 491 M C 0.880 177.168 176.300 -0.020 0.000 1.131 491 M CA 0.376 55.666 55.300 -0.017 0.000 1.046 491 M CB 0.514 33.092 32.600 -0.036 0.000 1.532 491 M HN 0.009 nan 8.290 nan 0.000 0.497 492 G N 2.454 111.247 108.800 -0.011 0.000 2.225 492 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.264 492 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.264 492 G C -0.171 174.720 174.900 -0.015 0.000 1.060 492 G CA -0.209 44.885 45.100 -0.010 0.000 0.833 492 G HN 0.539 nan 8.290 nan 0.000 0.498 493 I N 0.721 121.281 120.570 -0.016 0.000 2.412 493 I HA 0.471 4.641 4.170 -0.001 0.000 0.279 493 I C 0.387 176.499 176.117 -0.007 0.000 1.063 493 I CA -0.585 60.703 61.300 -0.019 0.000 1.193 493 I CB 0.635 38.614 38.000 -0.035 0.000 1.370 493 I HN 0.025 nan 8.210 nan 0.000 0.479 494 L N 4.596 125.818 121.223 -0.002 0.000 2.354 494 L HA 0.690 5.030 4.340 -0.001 0.000 0.264 494 L C -1.042 175.834 176.870 0.009 0.000 1.008 494 L CA -0.936 53.907 54.840 0.006 0.000 0.819 494 L CB 2.139 44.203 42.059 0.008 0.000 1.339 494 L HN 0.292 nan 8.230 nan 0.000 0.420 495 D N 0.973 121.381 120.400 0.013 0.000 2.646 495 D HA 0.400 5.039 4.640 -0.001 0.000 0.245 495 D C -2.634 173.679 176.300 0.021 0.000 1.099 495 D CA -1.469 52.542 54.000 0.019 0.000 0.849 495 D CB 2.449 43.260 40.800 0.019 0.000 1.448 495 D HN 0.129 nan 8.370 nan 0.000 0.489 496 P HA 0.095 nan 4.420 nan 0.000 0.271 496 P C 0.810 178.125 177.300 0.025 0.000 1.220 496 P CA -0.034 63.082 63.100 0.026 0.000 0.768 496 P CB 0.674 32.395 31.700 0.034 0.000 0.848 497 T N 2.438 117.003 114.554 0.019 0.000 2.778 497 T HA -0.228 4.122 4.350 -0.001 0.000 0.269 497 T C 1.604 176.316 174.700 0.019 0.000 1.050 497 T CA 1.353 63.463 62.100 0.017 0.000 1.137 497 T CB -0.278 68.597 68.868 0.012 0.000 0.860 497 T HN 0.499 nan 8.240 nan 0.000 0.468 498 K N 0.777 121.190 120.400 0.021 0.000 2.057 498 K HA -0.086 4.234 4.320 -0.001 0.000 0.207 498 K C 2.430 179.056 176.600 0.044 0.000 1.049 498 K CA 1.419 57.723 56.287 0.027 0.000 0.931 498 K CB -0.318 32.196 32.500 0.024 0.000 0.714 498 K HN 0.331 nan 8.250 nan 0.000 0.440 499 V N 0.074 120.018 119.914 0.050 0.000 2.548 499 V HA -0.127 3.993 4.120 -0.001 0.000 0.249 499 V C 1.642 177.768 176.094 0.054 0.000 1.055 499 V CA 2.237 64.574 62.300 0.063 0.000 1.065 499 V CB -0.393 31.469 31.823 0.065 0.000 0.681 499 V HN 0.319 nan 8.190 nan 0.000 0.462 500 T N 0.515 115.092 114.554 0.038 0.000 2.777 500 T HA -0.125 4.224 4.350 -0.001 0.000 0.266 500 T C 1.954 176.669 174.700 0.025 0.000 1.040 500 T CA 1.951 64.069 62.100 0.031 0.000 1.141 500 T CB -0.348 68.533 68.868 0.023 0.000 0.868 500 T HN 0.589 nan 8.240 nan 0.000 0.444 501 R N 0.975 121.485 120.500 0.018 0.000 2.073 501 R HA -0.088 4.251 4.340 -0.001 0.000 0.234 501 R C 2.523 178.818 176.300 -0.009 0.000 1.134 501 R CA 1.750 57.849 56.100 -0.001 0.000 0.952 501 R CB -0.341 29.954 30.300 -0.008 0.000 0.850 501 R HN 0.242 nan 8.270 nan 0.000 0.433 502 S N 0.542 116.259 115.700 0.029 0.000 2.368 502 S HA -0.115 4.355 4.470 -0.001 0.000 0.225 502 S C 2.014 176.702 174.600 0.146 0.000 1.030 502 S CA 1.116 59.363 58.200 0.078 0.000 0.999 502 S CB -0.229 63.088 63.200 0.194 0.000 0.844 502 S HN 0.572 nan 8.310 nan 0.000 0.459 503 A N 1.410 124.300 122.820 0.117 0.000 1.908 503 A HA -0.071 4.249 4.320 -0.001 0.000 0.218 503 A C 2.142 179.775 177.584 0.080 0.000 1.181 503 A CA 1.468 53.573 52.037 0.113 0.000 0.627 503 A CB -0.730 18.312 19.000 0.070 0.000 0.818 503 A HN 0.413 nan 8.150 nan 0.000 0.445 504 L N -0.244 121.000 121.223 0.035 0.000 2.027 504 L HA -0.175 4.164 4.340 -0.001 0.000 0.206 504 L C 2.511 179.368 176.870 -0.021 0.000 1.074 504 L CA 2.312 57.158 54.840 0.009 0.000 0.745 504 L CB -0.732 41.326 42.059 -0.002 0.000 0.898 504 L HN 0.506 nan 8.230 nan 0.000 0.433 505 Q N -1.810 117.939 119.800 -0.085 0.000 2.084 505 Q HA -0.218 4.121 4.340 -0.001 0.000 0.202 505 Q C 2.157 178.037 176.000 -0.200 0.000 0.978 505 Q CA 1.969 57.662 55.803 -0.183 0.000 0.844 505 Q CB -0.313 28.241 28.738 -0.306 0.000 0.898 505 Q HN 0.511 nan 8.270 nan 0.000 0.426 506 Y N 0.223 120.526 120.300 0.006 0.000 2.242 506 Y HA -0.143 4.406 4.550 -0.001 0.000 0.291 506 Y C 2.365 178.268 175.900 0.004 0.000 1.137 506 Y CA 0.861 58.964 58.100 0.005 0.000 1.181 506 Y CB -0.663 37.800 38.460 0.005 0.000 0.989 506 Y HN 0.129 nan 8.280 nan 0.000 0.527 507 A N 0.106 123.009 122.820 0.139 0.000 1.877 507 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 507 A C 2.482 180.098 177.584 0.054 0.000 1.186 507 A CA 2.097 54.184 52.037 0.084 0.000 0.620 507 A CB -1.287 17.748 19.000 0.058 0.000 0.822 507 A HN 0.384 nan 8.150 nan 0.000 0.443 508 A N -0.850 121.988 122.820 0.028 0.000 1.933 508 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 508 A C 2.481 180.075 177.584 0.016 0.000 1.175 508 A CA 2.198 54.242 52.037 0.012 0.000 0.628 508 A CB -0.957 18.039 19.000 -0.008 0.000 0.814 508 A HN 0.629 nan 8.150 nan 0.000 0.444 509 S N -0.504 115.207 115.700 0.019 0.000 2.353 509 S HA -0.141 4.329 4.470 -0.001 0.000 0.222 509 S C 1.895 176.524 174.600 0.049 0.000 1.035 509 S CA 1.887 60.105 58.200 0.030 0.000 1.025 509 S CB -0.512 62.714 63.200 0.045 0.000 0.902 509 S HN 0.309 nan 8.310 nan 0.000 0.440 510 V N 2.126 122.082 119.914 0.069 0.000 2.453 510 V HA -0.014 4.105 4.120 -0.001 0.000 0.247 510 V C 2.890 179.007 176.094 0.038 0.000 1.048 510 V CA 1.517 63.851 62.300 0.056 0.000 1.049 510 V CB -1.357 30.503 31.823 0.060 0.000 0.672 510 V HN 0.617 nan 8.190 nan 0.000 0.457 511 A N 0.807 123.648 122.820 0.035 0.000 1.902 511 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 511 A C 2.426 180.023 177.584 0.021 0.000 1.181 511 A CA 1.872 53.924 52.037 0.026 0.000 0.623 511 A CB -1.190 17.824 19.000 0.023 0.000 0.818 511 A HN 0.515 nan 8.150 nan 0.000 0.443 512 G N -0.195 108.617 108.800 0.020 0.000 2.442 512 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.219 512 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.219 512 G C 1.544 176.455 174.900 0.018 0.000 1.141 512 G CA 1.065 46.175 45.100 0.016 0.000 0.763 512 G HN 0.441 nan 8.290 nan 0.000 0.554 513 L N -0.310 120.926 121.223 0.022 0.000 2.027 513 L HA 0.001 4.341 4.340 -0.001 0.000 0.206 513 L C 3.120 180.002 176.870 0.020 0.000 1.074 513 L CA 0.943 55.795 54.840 0.021 0.000 0.745 513 L CB -0.341 41.732 42.059 0.024 0.000 0.898 513 L HN 0.215 nan 8.230 nan 0.000 0.433 514 M N -0.542 119.071 119.600 0.021 0.000 2.159 514 M HA -0.206 4.273 4.480 -0.001 0.000 0.263 514 M C 2.303 178.615 176.300 0.019 0.000 1.063 514 M CA 1.790 57.102 55.300 0.020 0.000 1.110 514 M CB -0.361 32.252 32.600 0.021 0.000 1.374 514 M HN 0.213 nan 8.290 nan 0.000 0.411 515 I N 0.111 120.692 120.570 0.018 0.000 2.454 515 I HA -0.211 3.959 4.170 -0.001 0.000 0.254 515 I C 1.744 177.872 176.117 0.017 0.000 1.156 515 I CA 1.415 62.725 61.300 0.016 0.000 1.433 515 I CB -0.379 37.630 38.000 0.014 0.000 1.082 515 I HN 0.391 nan 8.210 nan 0.000 0.432 516 T N -3.336 111.229 114.554 0.018 0.000 3.214 516 T HA 0.167 4.516 4.350 -0.001 0.000 0.264 516 T C 0.480 175.194 174.700 0.022 0.000 1.012 516 T CA -0.309 61.802 62.100 0.020 0.000 0.901 516 T CB -0.358 68.520 68.868 0.018 0.000 1.070 516 T HN -0.081 nan 8.240 nan 0.000 0.561 517 T N 2.287 116.854 114.554 0.022 0.000 2.771 517 T HA 0.313 4.663 4.350 -0.001 0.000 0.291 517 T C 0.621 175.337 174.700 0.027 0.000 0.954 517 T CA -0.518 61.595 62.100 0.021 0.000 1.045 517 T CB 1.568 70.446 68.868 0.018 0.000 0.917 517 T HN 0.105 nan 8.240 nan 0.000 0.484 518 E N 0.599 120.820 120.200 0.035 0.000 2.413 518 E HA 0.162 4.512 4.350 -0.001 0.000 0.203 518 E C 0.220 176.849 176.600 0.048 0.000 0.957 518 E CA 0.158 56.598 56.400 0.065 0.000 0.950 518 E CB 0.690 30.451 29.700 0.102 0.000 0.957 518 E HN 0.576 nan 8.360 nan 0.000 0.497 519 C N 0.473 119.750 119.300 -0.039 0.000 2.985 519 C HA 0.686 5.145 4.460 -0.001 0.000 0.314 519 C C -1.354 173.547 174.990 -0.149 0.000 1.215 519 C CA -0.629 58.254 59.018 -0.224 0.000 1.414 519 C CB 0.553 28.099 27.740 -0.323 0.000 1.842 519 C HN 0.117 nan 8.230 nan 0.000 0.477 520 M N 4.867 124.375 119.600 -0.154 0.000 2.326 520 M HA 0.603 5.082 4.480 -0.001 0.000 0.306 520 M C -1.116 175.239 176.300 0.092 0.000 1.054 520 M CA -0.556 54.767 55.300 0.037 0.000 0.922 520 M CB 2.117 34.856 32.600 0.232 0.000 1.632 520 M HN 0.404 nan 8.290 nan 0.000 0.436 521 V N 1.206 121.137 119.914 0.027 0.000 2.540 521 V HA 0.820 4.939 4.120 -0.001 0.000 0.302 521 V C -0.314 175.718 176.094 -0.103 0.000 1.035 521 V CA -0.431 61.864 62.300 -0.008 0.000 0.873 521 V CB 2.013 33.815 31.823 -0.035 0.000 0.992 521 V HN 0.949 nan 8.190 nan 0.000 0.428 522 T N 1.620 116.067 114.554 -0.179 0.000 2.821 522 T HA 0.370 4.719 4.350 -0.001 0.000 0.306 522 T C -1.516 173.068 174.700 -0.193 0.000 1.313 522 T CA -0.564 61.368 62.100 -0.280 0.000 1.012 522 T CB 1.893 70.404 68.868 -0.595 0.000 1.298 522 T HN 0.650 nan 8.240 nan 0.000 0.502 523 D N 1.779 122.083 120.400 -0.161 0.000 2.399 523 D HA 0.284 4.924 4.640 -0.001 0.000 0.241 523 D C 0.044 176.289 176.300 -0.092 0.000 1.133 523 D CA -0.104 53.837 54.000 -0.099 0.000 0.890 523 D CB 0.445 41.198 40.800 -0.079 0.000 1.201 523 D HN 0.278 nan 8.370 nan 0.000 0.432 524 L N 4.313 125.512 121.223 -0.041 0.000 2.453 524 L HA 0.164 4.504 4.340 -0.001 0.000 0.272 524 L C -1.739 175.118 176.870 -0.022 0.000 1.182 524 L CA -1.278 53.554 54.840 -0.013 0.000 0.858 524 L CB 0.153 42.216 42.059 0.007 0.000 1.120 524 L HN 0.280 nan 8.230 nan 0.000 0.474 525 P HA 0.049 nan 4.420 nan 0.000 0.252 525 P C -0.953 176.344 177.300 -0.006 0.000 1.635 525 P CA 0.348 63.440 63.100 -0.014 0.000 1.206 525 P CB -0.041 31.661 31.700 0.004 0.000 1.911 526 K N 0.000 120.393 120.400 -0.012 0.000 2.780 526 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 526 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 526 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543