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 2c7e_1_K 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 QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.580 177.584 -0.007 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 1.123 123.942 122.820 -0.002 0.000 2.520 3 A HA 0.526 4.847 4.320 0.001 0.000 0.235 3 A C 0.195 177.780 177.584 0.002 0.000 1.065 3 A CA 0.456 52.496 52.037 0.005 0.000 0.764 3 A CB -0.055 18.951 19.000 0.010 0.000 1.002 3 A HN 0.626 nan 8.150 nan 0.000 0.502 4 K N 1.080 121.487 120.400 0.011 0.000 2.281 4 K HA 0.441 4.762 4.320 0.001 0.000 0.242 4 K C -1.268 175.358 176.600 0.044 0.000 0.971 4 K CA -0.734 55.559 56.287 0.009 0.000 0.834 4 K CB 1.684 34.187 32.500 0.004 0.000 1.181 4 K HN 0.729 nan 8.250 nan 0.000 0.435 5 D N 1.071 121.509 120.400 0.064 0.000 2.256 5 D HA 0.363 5.004 4.640 0.001 0.000 0.240 5 D C -1.250 175.208 176.300 0.263 0.000 1.062 5 D CA -0.556 53.554 54.000 0.184 0.000 0.832 5 D CB 1.345 42.304 40.800 0.266 0.000 1.135 5 D HN 0.049 nan 8.370 nan 0.000 0.484 6 V N 4.416 124.441 119.914 0.185 0.000 2.444 6 V HA 0.429 4.550 4.120 0.001 0.000 0.294 6 V C 0.050 176.090 176.094 -0.089 0.000 1.022 6 V CA -0.776 61.550 62.300 0.044 0.000 0.850 6 V CB 1.779 33.587 31.823 -0.026 0.000 0.992 6 V HN 0.381 nan 8.190 nan 0.000 0.426 7 K N 3.901 124.141 120.400 -0.267 0.000 2.318 7 K HA 0.763 5.083 4.320 0.001 0.000 0.249 7 K C -1.519 174.816 176.600 -0.442 0.000 0.942 7 K CA -0.489 55.590 56.287 -0.347 0.000 0.808 7 K CB 2.497 34.611 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 4.928 4.527 0.000 0.000 0.327 8 F C 1.381 177.149 175.800 -0.053 0.000 1.057 8 F CA -0.092 57.880 58.000 -0.046 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 1.639 110.545 108.800 0.178 0.000 2.672 9 G HA2 -0.437 3.524 3.960 0.001 0.000 0.356 9 G HA3 -0.437 3.524 3.960 0.001 0.000 0.356 9 G C 1.293 176.212 174.900 0.033 0.000 1.312 9 G CA 0.997 46.148 45.100 0.085 0.000 0.980 9 G HN 0.704 nan 8.290 nan 0.000 0.540 10 N N 0.939 119.652 118.700 0.021 0.000 2.060 10 N HA -0.153 4.588 4.740 0.001 0.000 0.195 10 N C 1.814 177.310 175.510 -0.022 0.000 1.028 10 N CA 2.073 55.123 53.050 -0.000 0.000 0.861 10 N CB -0.461 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 0.542 120.922 120.400 -0.032 0.000 2.104 11 D HA -0.111 4.529 4.640 0.001 0.000 0.194 11 D C 1.830 178.045 176.300 -0.142 0.000 0.994 11 D CA 1.277 55.225 54.000 -0.086 0.000 0.830 11 D CB -0.420 40.321 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 -0.132 0.000 1.898 12 A HA 0.028 4.349 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 2.009 53.964 52.037 -0.138 0.000 0.620 12 A CB -1.099 17.843 19.000 -0.096 0.000 0.819 12 A HN 0.298 nan 8.150 nan 0.000 0.442 13 G N 0.055 108.839 108.800 -0.028 0.000 2.440 13 G HA2 -0.205 3.756 3.960 0.001 0.000 0.218 13 G HA3 -0.205 3.756 3.960 0.001 0.000 0.218 13 G C 1.651 176.547 174.900 -0.007 0.000 1.154 13 G CA 2.173 47.269 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 -0.018 0.000 2.427 14 V HA -0.032 4.089 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 31.347 31.823 -0.018 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 -0.011 0.000 2.002 15 K HA -0.032 4.289 4.320 0.001 0.000 0.209 15 K C 2.278 178.908 176.600 0.050 0.000 1.048 15 K CA 2.171 58.474 56.287 0.027 0.000 0.930 15 K CB -0.664 31.859 32.500 0.037 0.000 0.714 15 K HN 0.511 nan 8.250 nan 0.000 0.438 16 M N 0.395 120.023 119.600 0.046 0.000 2.080 16 M HA -0.210 4.270 4.480 0.001 0.000 0.260 16 M C 2.260 178.578 176.300 0.029 0.000 1.068 16 M CA 1.271 56.597 55.300 0.044 0.000 1.109 16 M CB -0.373 32.249 32.600 0.036 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 0.020 0.000 2.042 17 L HA -0.210 4.131 4.340 0.001 0.000 0.210 17 L C 2.463 179.342 176.870 0.015 0.000 1.076 17 L CA 1.908 56.757 54.840 0.015 0.000 0.749 17 L CB -0.671 41.394 42.059 0.010 0.000 0.893 17 L HN 0.152 nan 8.230 nan 0.000 0.432 18 R N -0.055 120.455 120.500 0.017 0.000 2.081 18 R HA -0.056 4.284 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 1.765 57.876 56.100 0.017 0.000 0.960 18 R CB -1.408 28.904 30.300 0.020 0.000 0.856 18 R HN 0.437 nan 8.270 nan 0.000 0.436 19 G N -0.049 108.766 108.800 0.025 0.000 2.418 19 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 19 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 19 G C 1.468 176.377 174.900 0.014 0.000 1.158 19 G CA 1.147 46.261 45.100 0.022 0.000 0.771 19 G HN 0.373 nan 8.290 nan 0.000 0.545 20 V N -0.008 119.915 119.914 0.015 0.000 2.515 20 V HA -0.103 4.018 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 2.217 64.524 62.300 0.011 0.000 1.064 20 V CB -0.559 31.272 31.823 0.013 0.000 0.675 20 V HN 0.193 nan 8.190 nan 0.000 0.461 21 N N 0.983 119.689 118.700 0.009 0.000 2.120 21 N HA -0.102 4.639 4.740 0.001 0.000 0.188 21 N C 1.833 177.345 175.510 0.005 0.000 1.024 21 N CA 1.876 54.930 53.050 0.007 0.000 0.852 21 N CB -0.619 37.872 38.487 0.007 0.000 1.003 21 N HN 0.507 nan 8.380 nan 0.000 0.424 22 V N 1.537 121.454 119.914 0.005 0.000 2.295 22 V HA -0.184 3.937 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 1.167 63.469 62.300 0.002 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 0.000 0.000 1.994 23 L HA -0.099 4.241 4.340 0.001 0.000 0.208 23 L C 2.441 179.310 176.870 -0.002 0.000 1.071 23 L CA 2.455 57.293 54.840 -0.003 0.000 0.745 23 L CB -0.777 41.281 42.059 -0.003 0.000 0.892 23 L HN 0.203 nan 8.230 nan 0.000 0.431 24 A N -0.766 122.054 122.820 0.001 0.000 1.933 24 A HA -0.206 4.115 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 -0.849 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 0.073 120.473 120.400 0.001 0.000 2.144 25 D HA -0.011 4.629 4.640 0.001 0.000 0.200 25 D C 2.171 178.469 176.300 -0.002 0.000 0.978 25 D CA 1.413 55.412 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 0.399 123.217 122.820 -0.003 0.000 1.929 26 A HA -0.081 4.239 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 -0.515 18.480 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 3.885 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 64.445 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 1.601 122.000 120.400 -0.002 0.000 2.360 28 K HA -0.120 4.201 4.320 0.001 0.000 0.201 28 K C 1.833 178.432 176.600 -0.001 0.000 1.046 28 K CA 1.775 58.062 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 -0.107 4.013 4.120 0.001 0.000 0.265 29 V C 1.978 178.071 176.094 -0.002 0.000 1.122 29 V CA 1.673 63.972 62.300 -0.002 0.000 1.141 29 V CB -0.983 30.838 31.823 -0.002 0.000 0.735 29 V HN 0.534 nan 8.190 nan 0.000 0.498 30 T N -2.188 112.364 114.554 -0.003 0.000 3.107 30 T HA 0.292 4.643 4.350 0.001 0.000 0.249 30 T C 0.492 175.189 174.700 -0.004 0.000 1.096 30 T CA -0.111 61.986 62.100 -0.005 0.000 1.012 30 T CB -0.180 68.683 68.868 -0.007 0.000 0.977 30 T HN 0.389 nan 8.240 nan 0.000 0.527 31 L N 2.679 123.901 121.223 -0.001 0.000 2.410 31 L HA 0.545 4.886 4.340 0.001 0.000 0.273 31 L C 0.817 177.688 176.870 0.001 0.000 1.152 31 L CA 1.549 56.389 54.840 0.000 0.000 0.855 31 L CB -0.467 41.593 42.059 0.003 0.000 1.129 31 L HN 0.668 nan 8.230 nan 0.000 0.463 32 G N 4.384 113.183 108.800 -0.001 0.000 2.795 32 G HA2 -0.181 3.779 3.960 0.001 0.000 0.664 32 G HA3 -0.181 3.779 3.960 0.001 0.000 0.664 32 G C -1.754 173.142 174.900 -0.007 0.000 1.381 32 G CA -0.314 44.785 45.100 -0.002 0.000 0.853 32 G HN 0.633 nan 8.290 nan 0.000 0.545 33 P HA -0.070 nan 4.420 nan 0.000 0.218 33 P C 0.947 178.238 177.300 -0.015 0.000 1.146 33 P CA 1.438 64.526 63.100 -0.020 0.000 0.813 33 P CB 0.078 31.757 31.700 -0.035 0.000 0.778 34 K N 0.193 120.589 120.400 -0.008 0.000 2.493 34 K HA 0.249 4.569 4.320 0.001 0.000 0.207 34 K C 1.034 177.634 176.600 -0.001 0.000 1.033 34 K CA -0.218 56.068 56.287 -0.003 0.000 1.161 34 K CB 0.089 32.592 32.500 0.005 0.000 0.873 34 K HN 0.064 nan 8.250 nan 0.000 0.491 35 G N 1.654 110.453 108.800 -0.003 0.000 2.414 35 G HA2 0.011 3.972 3.960 0.001 0.000 0.236 35 G HA3 0.011 3.972 3.960 0.001 0.000 0.236 35 G C 0.185 175.083 174.900 -0.003 0.000 1.293 35 G CA -0.304 44.794 45.100 -0.002 0.000 0.869 35 G HN 0.080 nan 8.290 nan 0.000 0.556 36 R N 1.133 121.631 120.500 -0.002 0.000 2.543 36 R HA 0.190 4.530 4.340 0.001 0.000 0.268 36 R C 0.173 176.470 176.300 -0.004 0.000 1.067 36 R CA -0.676 55.422 56.100 -0.003 0.000 1.142 36 R CB 0.473 30.771 30.300 -0.002 0.000 1.110 36 R HN 0.652 nan 8.270 nan 0.000 0.549 37 N N -0.820 117.877 118.700 -0.004 0.000 2.530 37 N HA 0.283 5.024 4.740 0.001 0.000 0.277 37 N C -0.909 174.598 175.510 -0.006 0.000 1.168 37 N CA -0.364 52.683 53.050 -0.005 0.000 0.979 37 N CB 1.178 39.662 38.487 -0.005 0.000 1.141 37 N HN 0.093 nan 8.380 nan 0.000 0.459 38 V N 1.838 121.747 119.914 -0.007 0.000 2.540 38 V HA 0.344 4.465 4.120 0.001 0.000 0.302 38 V C -0.430 175.659 176.094 -0.008 0.000 1.035 38 V CA -0.816 61.480 62.300 -0.008 0.000 0.873 38 V CB 1.832 33.650 31.823 -0.009 0.000 0.992 38 V HN 0.322 nan 8.190 nan 0.000 0.428 39 V N 6.328 126.237 119.914 -0.008 0.000 2.370 39 V HA 0.471 4.591 4.120 0.001 0.000 0.279 39 V C -0.226 175.861 176.094 -0.012 0.000 1.029 39 V CA -0.414 61.880 62.300 -0.009 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 3.811 125.026 121.223 -0.013 0.000 2.305 40 L HA 0.520 4.860 4.340 0.001 0.000 0.284 40 L C -0.088 176.770 176.870 -0.020 0.000 1.013 40 L CA -0.598 54.232 54.840 -0.017 0.000 0.819 40 L CB 1.525 43.574 42.059 -0.017 0.000 1.227 40 L HN 0.497 nan 8.230 nan 0.000 0.417 41 D N 3.351 123.736 120.400 -0.026 0.000 2.399 41 D HA 0.189 4.830 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 0.956 41.733 40.800 -0.038 0.000 1.201 41 D HN 0.356 nan 8.370 nan 0.000 0.432 42 K N 0.366 120.737 120.400 -0.048 0.000 2.340 42 K HA 0.236 4.556 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 0.643 116.193 115.700 -0.250 0.000 2.453 43 S HA 0.022 4.493 4.470 0.001 0.000 0.231 43 S C 0.256 174.432 174.600 -0.707 0.000 1.005 43 S CA 0.604 58.481 58.200 -0.538 0.000 0.949 43 S CB -0.137 62.599 63.200 -0.774 0.000 0.774 43 S HN 0.372 nan 8.310 nan 0.000 0.510 44 F N 0.994 120.940 119.950 -0.006 0.000 2.569 44 F HA 0.695 5.223 4.527 0.002 0.000 0.312 44 F C 0.896 176.692 175.800 -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 -0.006 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 0.279 4.239 3.960 0.001 0.000 0.229 45 G HA3 0.279 4.239 3.960 0.001 0.000 0.229 45 G C -0.708 174.227 174.900 0.058 0.000 1.320 45 G CA -0.508 44.653 45.100 0.102 0.000 0.891 45 G HN 1.256 nan 8.290 nan 0.000 0.573 46 A N 0.869 123.713 122.820 0.040 0.000 2.340 46 A HA 0.757 5.078 4.320 0.001 0.000 0.268 46 A C -1.377 176.216 177.584 0.016 0.000 1.100 46 A CA -0.217 51.834 52.037 0.023 0.000 0.803 46 A CB -0.048 18.963 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 -0.000 0.000 1.223 47 P CA 0.048 63.147 63.100 -0.001 0.000 0.785 47 P CB 0.363 32.060 31.700 -0.005 0.000 0.923 48 T N 1.975 116.527 114.554 -0.004 0.000 2.856 48 T HA 0.432 4.783 4.350 0.001 0.000 0.292 48 T C 0.295 174.991 174.700 -0.005 0.000 0.980 48 T CA -0.077 62.021 62.100 -0.004 0.000 1.091 48 T CB -0.059 68.805 68.868 -0.006 0.000 0.936 48 T HN 0.179 nan 8.240 nan 0.000 0.503 49 I N 2.744 123.312 120.570 -0.004 0.000 2.382 49 I HA 0.436 4.607 4.170 0.001 0.000 0.286 49 I C 0.328 176.441 176.117 -0.006 0.000 1.002 49 I CA -0.474 60.823 61.300 -0.005 0.000 1.135 49 I CB 1.787 39.785 38.000 -0.004 0.000 1.288 49 I HN 0.529 nan 8.210 nan 0.000 0.448 50 T N 4.498 119.047 114.554 -0.008 0.000 2.883 50 T HA 0.436 4.786 4.350 0.001 0.000 0.296 50 T C -0.028 174.667 174.700 -0.009 0.000 1.117 50 T CA -0.533 61.562 62.100 -0.009 0.000 1.006 50 T CB 1.807 70.668 68.868 -0.011 0.000 1.191 50 T HN 0.642 nan 8.240 nan 0.000 0.508 51 K N 1.291 121.685 120.400 -0.010 0.000 2.469 51 K HA 0.212 4.533 4.320 0.001 0.000 0.204 51 K C -0.795 175.798 176.600 -0.011 0.000 1.047 51 K CA -0.239 56.042 56.287 -0.010 0.000 1.072 51 K CB 0.578 33.072 32.500 -0.009 0.000 0.863 51 K HN 0.479 nan 8.250 nan 0.000 0.530 52 D N -0.111 120.281 120.400 -0.013 0.000 2.317 52 D HA 0.145 4.786 4.640 0.001 0.000 0.234 52 D C 1.240 177.530 176.300 -0.017 0.000 1.112 52 D CA -0.220 53.770 54.000 -0.017 0.000 0.840 52 D CB 1.372 42.161 40.800 -0.019 0.000 1.078 52 D HN 0.142 nan 8.370 nan 0.000 0.486 53 G N 2.437 111.226 108.800 -0.017 0.000 2.469 53 G HA2 -0.245 3.715 3.960 0.001 0.000 0.219 53 G HA3 -0.245 3.715 3.960 0.001 0.000 0.219 53 G C 1.480 176.368 174.900 -0.021 0.000 1.150 53 G CA 0.849 45.939 45.100 -0.017 0.000 0.763 53 G HN 0.487 nan 8.290 nan 0.000 0.561 54 V N 1.045 120.943 119.914 -0.027 0.000 2.343 54 V HA -0.186 3.935 4.120 0.001 0.000 0.247 54 V C 3.101 179.178 176.094 -0.028 0.000 1.051 54 V CA 2.185 64.466 62.300 -0.031 0.000 1.036 54 V CB -0.574 31.225 31.823 -0.039 0.000 0.654 54 V HN 0.370 nan 8.190 nan 0.000 0.451 55 S N -0.122 115.563 115.700 -0.025 0.000 2.383 55 S HA -0.168 4.303 4.470 0.001 0.000 0.229 55 S C 1.987 176.575 174.600 -0.021 0.000 1.030 55 S CA 1.546 59.733 58.200 -0.022 0.000 1.002 55 S CB -0.215 62.974 63.200 -0.019 0.000 0.829 55 S HN 0.405 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 3.987 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 -0.017 0.000 1.025 56 V CB -1.246 30.569 31.823 -0.014 0.000 0.656 56 V HN 0.528 nan 8.190 nan 0.000 0.451 57 A N 0.009 122.817 122.820 -0.020 0.000 1.917 57 A HA -0.268 4.052 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 1.958 53.983 52.037 -0.021 0.000 0.633 57 A CB -0.578 18.409 19.000 -0.023 0.000 0.819 57 A HN 0.497 nan 8.150 nan 0.000 0.448 58 R N -0.612 119.873 120.500 -0.025 0.000 2.159 58 R HA -0.104 4.237 4.340 0.001 0.000 0.237 58 R C 1.454 177.738 176.300 -0.026 0.000 1.131 58 R CA 1.269 57.352 56.100 -0.027 0.000 0.982 58 R CB -0.150 30.134 30.300 -0.027 0.000 0.868 58 R HN 0.513 nan 8.270 nan 0.000 0.453 59 E N 0.225 120.411 120.200 -0.024 0.000 2.385 59 E HA 0.022 4.373 4.350 0.001 0.000 0.194 59 E C 0.464 177.050 176.600 -0.023 0.000 1.013 59 E CA 0.239 56.625 56.400 -0.024 0.000 0.866 59 E CB 0.243 29.929 29.700 -0.023 0.000 0.832 59 E HN 0.156 nan 8.360 nan 0.000 0.500 60 I N 2.168 122.725 120.570 -0.021 0.000 2.436 60 I HA 0.121 4.292 4.170 0.001 0.000 0.289 60 I C 0.361 176.466 176.117 -0.020 0.000 1.083 60 I CA 0.310 61.599 61.300 -0.019 0.000 1.372 60 I CB -0.075 37.915 38.000 -0.015 0.000 1.408 60 I HN -0.042 nan 8.210 nan 0.000 0.516 61 E N 7.016 127.203 120.200 -0.020 0.000 2.311 61 E HA 0.523 4.874 4.350 0.001 0.000 0.281 61 E C -1.699 174.889 176.600 -0.020 0.000 0.905 61 E CA -0.594 55.792 56.400 -0.023 0.000 0.778 61 E CB 1.969 31.653 29.700 -0.027 0.000 1.240 61 E HN 0.449 nan 8.360 nan 0.000 0.410 62 L N 3.199 124.411 121.223 -0.017 0.000 2.334 62 L HA 0.412 4.753 4.340 0.001 0.000 0.270 62 L C 1.467 178.328 176.870 -0.015 0.000 1.018 62 L CA -0.542 54.291 54.840 -0.012 0.000 0.811 62 L CB 1.484 43.542 42.059 -0.002 0.000 1.271 62 L HN 0.741 nan 8.230 nan 0.000 0.443 63 E N 0.517 120.711 120.200 -0.009 0.000 2.046 63 E HA -0.163 4.187 4.350 0.001 0.000 0.190 63 E C 0.483 177.080 176.600 -0.006 0.000 0.982 63 E CA 0.486 56.880 56.400 -0.010 0.000 0.800 63 E CB 0.259 29.956 29.700 -0.004 0.000 0.756 63 E HN 0.661 nan 8.360 nan 0.000 0.449 64 D N 0.692 121.100 120.400 0.013 0.000 2.434 64 D HA -0.069 4.572 4.640 0.001 0.000 0.252 64 D C 0.692 176.997 176.300 0.009 0.000 1.185 64 D CA 0.076 54.100 54.000 0.039 0.000 0.886 64 D CB 0.955 41.800 40.800 0.076 0.000 1.148 64 D HN 0.033 nan 8.370 nan 0.000 0.483 65 K N 3.597 123.966 120.400 -0.051 0.000 2.103 65 K HA -0.166 4.155 4.320 0.001 0.000 0.207 65 K C 1.906 178.351 176.600 -0.258 0.000 1.048 65 K CA 1.199 57.363 56.287 -0.205 0.000 0.930 65 K CB -0.302 31.979 32.500 -0.365 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 -0.021 0.000 2.187 66 F HA -0.040 4.488 4.527 0.000 0.000 0.295 66 F C 2.397 178.185 175.800 -0.020 0.000 1.091 66 F CA 0.948 58.934 58.000 -0.024 0.000 1.308 66 F CB -0.407 38.578 39.000 -0.025 0.000 1.030 66 F HN 0.079 nan 8.300 nan 0.000 0.487 67 E N 0.087 120.386 120.200 0.166 0.000 2.085 67 E HA -0.274 4.077 4.350 0.001 0.000 0.194 67 E C 1.779 178.403 176.600 0.040 0.000 0.994 67 E CA 1.426 57.878 56.400 0.086 0.000 0.801 67 E CB -0.408 29.330 29.700 0.063 0.000 0.743 67 E HN 0.317 nan 8.360 nan 0.000 0.453 68 N N 0.620 119.327 118.700 0.013 0.000 2.223 68 N HA -0.147 4.594 4.740 0.001 0.000 0.185 68 N C 1.714 177.213 175.510 -0.018 0.000 1.016 68 N CA 1.167 54.209 53.050 -0.014 0.000 0.863 68 N CB 0.011 38.475 38.487 -0.038 0.000 0.983 68 N HN 0.092 nan 8.380 nan 0.000 0.429 69 M N -0.891 118.697 119.600 -0.020 0.000 2.117 69 M HA -0.016 4.465 4.480 0.001 0.000 0.262 69 M C 2.154 178.458 176.300 0.007 0.000 1.065 69 M CA 1.585 56.874 55.300 -0.017 0.000 1.114 69 M CB -0.484 32.105 32.600 -0.019 0.000 1.361 69 M HN 0.316 nan 8.290 nan 0.000 0.408 70 G N -0.099 108.717 108.800 0.027 0.000 2.418 70 G HA2 -0.142 3.819 3.960 0.001 0.000 0.217 70 G HA3 -0.142 3.819 3.960 0.001 0.000 0.217 70 G C 1.616 176.523 174.900 0.013 0.000 1.158 70 G CA 0.974 46.090 45.100 0.026 0.000 0.771 70 G HN 0.535 nan 8.290 nan 0.000 0.545 71 A N 0.106 122.931 122.820 0.008 0.000 1.877 71 A HA -0.058 4.262 4.320 0.001 0.000 0.216 71 A C 2.422 180.002 177.584 -0.006 0.000 1.186 71 A CA 1.943 53.980 52.037 0.000 0.000 0.620 71 A CB -0.351 18.648 19.000 -0.003 0.000 0.822 71 A HN 0.306 nan 8.150 nan 0.000 0.443 72 Q N -0.489 119.304 119.800 -0.011 0.000 2.124 72 Q HA -0.106 4.235 4.340 0.001 0.000 0.202 72 Q C 2.157 178.149 176.000 -0.013 0.000 0.977 72 Q CA 1.527 57.320 55.803 -0.017 0.000 0.850 72 Q CB -0.578 28.146 28.738 -0.024 0.000 0.901 72 Q HN 0.779 nan 8.270 nan 0.000 0.429 73 M N -0.337 119.259 119.600 -0.006 0.000 2.067 73 M HA -0.135 4.346 4.480 0.001 0.000 0.260 73 M C 2.276 178.577 176.300 0.002 0.000 1.069 73 M CA 1.309 56.609 55.300 0.000 0.000 1.117 73 M CB -0.550 32.055 32.600 0.008 0.000 1.334 73 M HN 0.082 nan 8.290 nan 0.000 0.407 74 V N 0.235 120.152 119.914 0.005 0.000 2.759 74 V HA -0.220 3.901 4.120 0.001 0.000 0.256 74 V C 2.052 178.145 176.094 -0.003 0.000 1.080 74 V CA 1.788 64.093 62.300 0.007 0.000 1.101 74 V CB -0.500 31.330 31.823 0.010 0.000 0.698 74 V HN 0.411 nan 8.190 nan 0.000 0.477 75 K N -0.300 120.093 120.400 -0.011 0.000 2.209 75 K HA -0.144 4.177 4.320 0.001 0.000 0.204 75 K C 2.053 178.632 176.600 -0.034 0.000 1.048 75 K CA 1.361 57.635 56.287 -0.021 0.000 0.940 75 K CB -0.033 32.453 32.500 -0.023 0.000 0.729 75 K HN 0.455 nan 8.250 nan 0.000 0.451 76 E N 0.062 120.244 120.200 -0.031 0.000 2.204 76 E HA -0.138 4.213 4.350 0.001 0.000 0.194 76 E C 1.898 178.455 176.600 -0.071 0.000 0.989 76 E CA 0.690 57.062 56.400 -0.048 0.000 0.824 76 E CB -0.015 29.669 29.700 -0.026 0.000 0.756 76 E HN 0.106 nan 8.360 nan 0.000 0.477 77 V N 1.486 121.381 119.914 -0.032 0.000 2.237 77 V HA -0.281 3.840 4.120 0.001 0.000 0.245 77 V C 2.462 178.515 176.094 -0.068 0.000 1.046 77 V CA 1.974 64.267 62.300 -0.012 0.000 1.007 77 V CB -0.893 30.952 31.823 0.037 0.000 0.638 77 V HN 0.262 nan 8.190 nan 0.000 0.445 78 A N 0.748 123.538 122.820 -0.049 0.000 1.865 78 A HA -0.255 4.066 4.320 0.001 0.000 0.217 78 A C 2.557 180.080 177.584 -0.102 0.000 1.191 78 A CA 2.790 54.793 52.037 -0.057 0.000 0.623 78 A CB -0.999 17.978 19.000 -0.039 0.000 0.826 78 A HN 0.706 nan 8.150 nan 0.000 0.444 79 S N 0.217 115.851 115.700 -0.110 0.000 2.359 79 S HA -0.243 4.228 4.470 0.001 0.000 0.224 79 S C 1.881 176.359 174.600 -0.202 0.000 1.035 79 S CA 1.647 59.771 58.200 -0.126 0.000 1.018 79 S CB -0.467 62.673 63.200 -0.100 0.000 0.876 79 S HN 0.623 nan 8.310 nan 0.000 0.448 80 K N 1.827 122.029 120.400 -0.329 0.000 2.026 80 K HA 0.095 4.416 4.320 0.001 0.000 0.208 80 K C 2.627 178.824 176.600 -0.672 0.000 1.048 80 K CA 1.157 57.074 56.287 -0.616 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 1.841 124.357 122.820 -0.507 0.000 1.940 81 A HA -0.247 4.073 4.320 0.001 0.000 0.219 81 A C 1.962 179.505 177.584 -0.067 0.000 1.176 81 A CA 1.975 53.935 52.037 -0.129 0.000 0.631 81 A CB -0.662 18.353 19.000 0.025 0.000 0.814 81 A HN 0.285 nan 8.150 nan 0.000 0.446 82 N N 0.394 119.030 118.700 -0.106 0.000 2.058 82 N HA -0.147 4.593 4.740 0.001 0.000 0.191 82 N C 1.202 176.672 175.510 -0.067 0.000 1.037 82 N CA 1.850 54.850 53.050 -0.083 0.000 0.848 82 N CB -0.353 38.080 38.487 -0.090 0.000 1.021 82 N HN 0.398 nan 8.380 nan 0.000 0.422 83 D N -0.168 120.182 120.400 -0.083 0.000 2.149 83 D HA -0.103 4.538 4.640 0.001 0.000 0.198 83 D C 1.597 177.911 176.300 0.023 0.000 0.990 83 D CA 1.317 55.293 54.000 -0.039 0.000 0.839 83 D CB -0.374 40.387 40.800 -0.066 0.000 0.948 83 D HN 0.444 nan 8.370 nan 0.000 0.460 84 A N 0.148 122.984 122.820 0.028 0.000 1.935 84 A HA 0.293 4.613 4.320 0.001 0.000 0.214 84 A C 2.002 179.677 177.584 0.151 0.000 1.178 84 A CA 1.632 53.739 52.037 0.116 0.000 0.640 84 A CB 0.126 19.264 19.000 0.230 0.000 0.825 84 A HN 0.233 nan 8.150 nan 0.000 0.447 85 A N -2.864 120.049 122.820 0.156 0.000 2.427 85 A HA 0.468 4.789 4.320 0.001 0.000 0.225 85 A C 1.581 179.340 177.584 0.292 0.000 1.257 85 A CA 1.045 53.216 52.037 0.224 0.000 0.985 85 A CB -0.336 18.755 19.000 0.151 0.000 1.136 85 A HN 1.822 nan 8.150 nan 0.000 0.538 86 G N -0.225 108.586 108.800 0.018 0.000 2.225 86 G HA2 -0.149 3.812 3.960 0.001 0.000 0.267 86 G HA3 -0.149 3.812 3.960 0.001 0.000 0.267 86 G C -0.212 174.558 174.900 -0.215 0.000 1.024 86 G CA 0.950 45.849 45.100 -0.334 0.000 0.784 86 G HN 0.889 nan 8.290 nan 0.000 0.507 87 D N -2.866 117.500 120.400 -0.057 0.000 2.742 87 D HA 0.554 5.195 4.640 0.001 0.000 0.262 87 D C 0.759 177.064 176.300 0.007 0.000 1.240 87 D CA 1.254 55.239 54.000 -0.025 0.000 0.752 87 D CB 0.164 40.968 40.800 0.006 0.000 1.290 87 D HN 1.401 nan 8.370 nan 0.000 0.420 88 G N 0.538 109.341 108.800 0.006 0.000 2.147 88 G HA2 -0.293 3.668 3.960 0.001 0.000 0.244 88 G HA3 -0.293 3.668 3.960 0.001 0.000 0.244 88 G C 0.971 175.881 174.900 0.015 0.000 1.005 88 G CA 1.680 46.790 45.100 0.017 0.000 0.713 88 G HN 0.982 nan 8.290 nan 0.000 0.515 89 T N -3.536 111.016 114.554 -0.002 0.000 2.904 89 T HA -0.048 4.303 4.350 0.001 0.000 0.267 89 T C 2.228 176.927 174.700 -0.001 0.000 1.059 89 T CA 2.397 64.492 62.100 -0.008 0.000 1.137 89 T CB -0.354 68.498 68.868 -0.028 0.000 0.879 89 T HN 0.294 nan 8.240 nan 0.000 0.467 90 T N 1.838 116.391 114.554 -0.002 0.000 2.812 90 T HA -0.045 4.305 4.350 0.001 0.000 0.264 90 T C 2.215 176.919 174.700 0.008 0.000 1.042 90 T CA 1.677 63.777 62.100 0.000 0.000 1.140 90 T CB -0.847 68.019 68.868 -0.002 0.000 0.870 90 T HN 0.468 nan 8.240 nan 0.000 0.445 91 T N 2.132 116.693 114.554 0.012 0.000 2.708 91 T HA -0.058 4.293 4.350 0.001 0.000 0.266 91 T C 2.406 177.121 174.700 0.025 0.000 1.037 91 T CA 1.245 63.356 62.100 0.018 0.000 1.146 91 T CB -0.559 68.322 68.868 0.021 0.000 0.865 91 T HN 0.428 nan 8.240 nan 0.000 0.435 92 A N 1.152 123.992 122.820 0.033 0.000 1.933 92 A HA -0.132 4.188 4.320 0.001 0.000 0.218 92 A C 2.540 180.146 177.584 0.036 0.000 1.175 92 A CA 2.099 54.165 52.037 0.048 0.000 0.628 92 A CB -1.169 17.870 19.000 0.066 0.000 0.814 92 A HN 0.489 nan 8.150 nan 0.000 0.444 93 T N -0.350 114.218 114.554 0.022 0.000 2.821 93 T HA -0.100 4.251 4.350 0.001 0.000 0.267 93 T C 1.981 176.690 174.700 0.015 0.000 1.046 93 T CA 1.687 63.797 62.100 0.016 0.000 1.139 93 T CB -0.571 68.301 68.868 0.006 0.000 0.871 93 T HN 0.643 nan 8.240 nan 0.000 0.454 94 V N 0.369 120.291 119.914 0.014 0.000 2.548 94 V HA 0.026 4.147 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 63.565 62.300 0.012 0.000 1.065 94 V CB -0.945 30.884 31.823 0.009 0.000 0.681 94 V HN 0.436 nan 8.190 nan 0.000 0.462 95 L N 0.685 121.920 121.223 0.019 0.000 2.046 95 L HA -0.031 4.310 4.340 0.001 0.000 0.208 95 L C 3.065 179.948 176.870 0.022 0.000 1.077 95 L CA 1.756 56.608 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 -0.527 122.309 122.820 0.026 0.000 1.877 96 A HA -0.294 4.027 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 1.906 53.959 52.037 0.027 0.000 0.620 96 A CB -0.640 18.380 19.000 0.032 0.000 0.822 96 A HN 0.507 nan 8.150 nan 0.000 0.443 97 Q N -0.478 119.331 119.800 0.016 0.000 2.096 97 Q HA -0.155 4.186 4.340 0.001 0.000 0.204 97 Q C 2.155 178.162 176.000 0.011 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 0.748 123.575 122.820 0.011 0.000 1.902 98 A HA -0.152 4.168 4.320 0.001 0.000 0.217 98 A C 1.981 179.572 177.584 0.010 0.000 1.181 98 A CA 1.395 53.438 52.037 0.010 0.000 0.623 98 A CB -0.591 18.415 19.000 0.010 0.000 0.818 98 A HN 0.492 nan 8.150 nan 0.000 0.443 99 I N -0.572 120.006 120.570 0.012 0.000 2.286 99 I HA -0.203 3.967 4.170 0.001 0.000 0.245 99 I C 2.281 178.405 176.117 0.012 0.000 1.104 99 I CA 1.102 62.410 61.300 0.012 0.000 1.397 99 I CB -0.326 37.682 38.000 0.014 0.000 1.072 99 I HN 0.279 nan 8.210 nan 0.000 0.417 100 I N 0.431 121.009 120.570 0.014 0.000 2.179 100 I HA -0.270 3.901 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 1.532 62.840 61.300 0.014 0.000 1.357 100 I CB -0.588 37.421 38.000 0.015 0.000 1.051 100 I HN 0.226 nan 8.210 nan 0.000 0.409 101 T N 0.314 114.874 114.554 0.010 0.000 2.622 101 T HA -0.180 4.170 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 -0.201 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 0.574 120.778 120.200 0.007 0.000 2.152 102 E HA 0.010 4.360 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 0.913 57.317 56.400 0.006 0.000 0.818 102 E CB -0.772 28.931 29.700 0.006 0.000 0.758 102 E HN 0.574 nan 8.360 nan 0.000 0.467 103 G N 1.380 110.185 108.800 0.008 0.000 2.421 103 G HA2 -0.201 3.760 3.960 0.001 0.000 0.216 103 G HA3 -0.201 3.760 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 0.355 45.460 45.100 0.009 0.000 0.775 103 G HN 0.174 nan 8.290 nan 0.000 0.543 104 L N -0.238 120.990 121.223 0.009 0.000 2.201 104 L HA -0.001 4.339 4.340 0.001 0.000 0.212 104 L C 2.904 179.778 176.870 0.007 0.000 1.105 104 L CA 0.899 55.745 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 0.170 120.574 120.400 0.006 0.000 2.057 105 K HA -0.120 4.201 4.320 0.001 0.000 0.206 105 K C 2.253 178.856 176.600 0.004 0.000 1.050 105 K CA 1.296 57.586 56.287 0.004 0.000 0.935 105 K CB -0.148 32.354 32.500 0.004 0.000 0.715 105 K HN 0.255 nan 8.250 nan 0.000 0.439 106 A N 0.812 123.635 122.820 0.005 0.000 1.933 106 A HA -0.124 4.197 4.320 0.001 0.000 0.218 106 A C 2.272 179.859 177.584 0.005 0.000 1.175 106 A CA 1.375 53.415 52.037 0.005 0.000 0.628 106 A CB -0.551 18.452 19.000 0.005 0.000 0.814 106 A HN 0.089 nan 8.150 nan 0.000 0.444 107 V N -0.285 119.633 119.914 0.007 0.000 2.307 107 V HA -0.217 3.904 4.120 0.001 0.000 0.245 107 V C 3.027 179.125 176.094 0.007 0.000 1.045 107 V CA 1.852 64.157 62.300 0.008 0.000 1.024 107 V CB -1.119 30.710 31.823 0.010 0.000 0.651 107 V HN 0.603 nan 8.190 nan 0.000 0.449 108 A N -0.101 122.722 122.820 0.006 0.000 2.019 108 A HA -0.033 4.288 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 1.715 53.754 52.037 0.004 0.000 0.644 108 A CB -0.543 18.459 19.000 0.002 0.000 0.805 108 A HN 0.582 nan 8.150 nan 0.000 0.449 109 A N -1.977 120.845 122.820 0.003 0.000 2.206 109 A HA 0.395 4.715 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 -0.737 18.264 19.000 0.002 0.000 0.801 109 A HN 1.814 nan 8.150 nan 0.000 0.473 110 G N -2.101 106.701 108.800 0.003 0.000 2.179 110 G HA2 -0.211 3.750 3.960 0.001 0.000 0.220 110 G HA3 -0.211 3.750 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 0.843 120.445 119.600 0.004 0.000 2.240 111 M HA 0.230 4.711 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 32.975 32.600 0.005 0.000 1.458 111 M HN 0.162 nan 8.290 nan 0.000 0.458 112 N N 2.766 121.470 118.700 0.006 0.000 2.416 112 N HA 0.075 4.815 4.740 0.001 0.000 0.265 112 N C -2.103 173.412 175.510 0.009 0.000 1.195 112 N CA -1.242 51.813 53.050 0.007 0.000 0.943 112 N CB 0.995 39.486 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 1.688 178.995 177.300 0.011 0.000 1.157 113 P CA 1.500 64.607 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 -1.016 118.591 119.600 0.011 0.000 2.159 114 M HA -0.138 4.343 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 1.649 56.954 55.300 0.010 0.000 1.110 114 M CB -1.681 30.925 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 4.641 4.640 0.001 0.000 0.201 115 D C 2.332 178.635 176.300 0.005 0.000 0.972 115 D CA 0.829 54.832 54.000 0.005 0.000 0.835 115 D CB -0.038 40.765 40.800 0.005 0.000 0.966 115 D HN 0.325 nan 8.370 nan 0.000 0.476 116 L N 0.824 122.050 121.223 0.006 0.000 2.046 116 L HA -0.176 4.165 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 1.171 56.015 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 4.087 4.320 0.001 0.000 0.207 117 K C 2.330 178.933 176.600 0.004 0.000 1.049 117 K CA 1.348 57.639 56.287 0.006 0.000 0.931 117 K CB -0.042 32.462 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 -0.097 4.244 4.340 0.001 0.000 0.235 118 R C 2.276 178.576 176.300 0.001 0.000 1.131 118 R CA 1.800 57.901 56.100 0.002 0.000 0.960 118 R CB -0.568 29.733 30.300 0.002 0.000 0.856 118 R HN 0.408 nan 8.270 nan 0.000 0.436 119 G N 0.708 109.509 108.800 0.002 0.000 2.402 119 G HA2 -0.222 3.739 3.960 0.001 0.000 0.216 119 G HA3 -0.222 3.739 3.960 0.001 0.000 0.216 119 G C 1.444 176.344 174.900 0.001 0.000 1.162 119 G CA 0.843 45.944 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 4.018 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 0.001 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 4.437 4.640 0.001 0.000 0.199 121 D C 2.071 178.366 176.300 -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 40.603 40.800 -0.008 0.000 0.955 121 D HN 0.298 nan 8.370 nan 0.000 0.465 122 K N 0.669 121.066 120.400 -0.006 0.000 2.057 122 K HA -0.066 4.254 4.320 0.001 0.000 0.206 122 K C 2.025 178.622 176.600 -0.006 0.000 1.050 122 K CA 1.161 57.444 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 0.680 123.498 122.820 -0.004 0.000 1.908 123 A HA -0.120 4.201 4.320 0.001 0.000 0.218 123 A C 2.225 179.805 177.584 -0.006 0.000 1.181 123 A CA 1.700 53.735 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 -0.485 119.424 119.914 -0.010 0.000 2.358 124 V HA -0.208 3.913 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 -1.184 30.626 31.823 -0.023 0.000 0.658 124 V HN 0.604 nan 8.190 nan 0.000 0.452 125 T N 0.106 114.649 114.554 -0.018 0.000 2.684 125 T HA -0.177 4.174 4.350 0.001 0.000 0.267 125 T C 1.919 176.612 174.700 -0.013 0.000 1.036 125 T CA 1.823 63.912 62.100 -0.018 0.000 1.148 125 T CB -0.219 68.640 68.868 -0.015 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 4.033 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 63.741 62.300 -0.005 0.000 1.049 126 V CB -1.157 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 -0.051 122.766 122.820 -0.005 0.000 1.933 127 A HA -0.158 4.163 4.320 0.001 0.000 0.218 127 A C 2.387 179.968 177.584 -0.004 0.000 1.175 127 A CA 2.069 54.104 52.037 -0.003 0.000 0.628 127 A CB -0.633 18.366 19.000 -0.003 0.000 0.814 127 A HN 0.342 nan 8.150 nan 0.000 0.444 128 V N 0.031 119.939 119.914 -0.010 0.000 2.427 128 V HA -0.253 3.868 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 2.229 64.522 62.300 -0.012 0.000 1.048 128 V CB -0.829 30.980 31.823 -0.023 0.000 0.666 128 V HN 0.648 nan 8.190 nan 0.000 0.456 129 E N -0.082 120.113 120.200 -0.007 0.000 2.077 129 E HA -0.276 4.075 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 1.413 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 0.839 121.039 120.200 0.001 0.000 2.150 130 E HA -0.163 4.188 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 56.883 56.400 0.004 0.000 0.814 130 E CB -0.106 29.598 29.700 0.006 0.000 0.752 130 E HN 0.099 nan 8.360 nan 0.000 0.466 131 L N 0.769 121.995 121.223 0.005 0.000 2.093 131 L HA -0.090 4.250 4.340 0.001 0.000 0.208 131 L C 1.865 178.739 176.870 0.007 0.000 1.085 131 L CA 1.801 56.645 54.840 0.007 0.000 0.755 131 L CB -0.307 41.755 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 0.004 0.000 2.097 132 K HA -0.089 4.232 4.320 0.001 0.000 0.206 132 K C 2.048 178.652 176.600 0.006 0.000 1.049 132 K CA 1.218 57.507 56.287 0.004 0.000 0.933 132 K CB -0.326 32.175 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 4.227 4.320 0.001 0.000 0.219 133 A C 1.975 179.564 177.584 0.010 0.000 1.169 133 A CA 1.177 53.218 52.037 0.007 0.000 0.635 133 A CB -0.460 18.545 19.000 0.007 0.000 0.810 133 A HN 0.168 nan 8.150 nan 0.000 0.446 134 L N -0.523 120.707 121.223 0.011 0.000 2.492 134 L HA 0.069 4.410 4.340 0.001 0.000 0.223 134 L C 1.260 178.139 176.870 0.014 0.000 1.132 134 L CA -0.066 54.783 54.840 0.015 0.000 0.850 134 L CB -0.278 41.791 42.059 0.018 0.000 0.966 134 L HN 0.279 nan 8.230 nan 0.000 0.454 135 S N -0.123 115.584 115.700 0.012 0.000 2.549 135 S HA 0.255 4.726 4.470 0.001 0.000 0.286 135 S C 0.273 174.879 174.600 0.011 0.000 1.314 135 S CA -0.441 57.766 58.200 0.011 0.000 1.062 135 S CB 0.880 64.085 63.200 0.009 0.000 0.865 135 S HN -0.023 nan 8.310 nan 0.000 0.498 136 V N 6.156 126.077 119.914 0.011 0.000 3.842 136 V HA 0.665 4.786 4.120 0.001 0.000 0.281 136 V C -2.204 173.896 176.094 0.009 0.000 1.228 136 V CA -1.355 60.952 62.300 0.010 0.000 0.897 136 V CB 1.467 33.297 31.823 0.012 0.000 1.257 136 V HN 0.714 nan 8.190 nan 0.000 0.451 137 P HA 0.467 nan 4.420 nan 0.000 0.318 137 P C -2.073 175.229 177.300 0.004 0.000 1.364 137 P CA -0.294 62.809 63.100 0.005 0.000 1.222 137 P CB 1.908 33.610 31.700 0.004 0.000 1.869 138 C N 1.684 120.986 119.300 0.002 0.000 3.445 138 C HA 0.441 4.902 4.460 0.001 0.000 0.213 138 C C 1.073 176.063 174.990 -0.000 0.000 1.319 138 C CA 0.215 59.234 59.018 0.002 0.000 1.402 138 C CB -1.674 26.067 27.740 0.001 0.000 1.819 138 C HN 0.531 nan 8.230 nan 0.000 0.491 139 S N 1.001 116.701 115.700 0.000 0.000 2.510 139 S HA 0.070 4.541 4.470 0.001 0.000 0.230 139 S C 0.590 175.190 174.600 -0.000 0.000 1.066 139 S CA 0.223 58.423 58.200 -0.000 0.000 0.941 139 S CB -0.073 63.127 63.200 0.000 0.000 0.829 139 S HN 0.937 nan 8.310 nan 0.000 0.530 140 D N 1.722 122.122 120.400 0.000 0.000 2.358 140 D HA 0.105 4.745 4.640 0.001 0.000 0.244 140 D C 0.967 177.267 176.300 -0.000 0.000 1.163 140 D CA 0.308 54.309 54.000 0.000 0.000 0.945 140 D CB 0.958 41.758 40.800 0.001 0.000 1.152 140 D HN 0.248 nan 8.370 nan 0.000 0.451 141 S N 0.402 116.102 115.700 -0.000 0.000 2.419 141 S HA -0.244 4.227 4.470 0.001 0.000 0.233 141 S C 1.700 176.301 174.600 0.000 0.000 1.016 141 S CA 0.939 59.139 58.200 -0.000 0.000 0.974 141 S CB -0.332 62.868 63.200 -0.000 0.000 0.786 141 S HN 0.633 nan 8.310 nan 0.000 0.492 142 K N 1.794 122.194 120.400 0.001 0.000 2.026 142 K HA -0.017 4.304 4.320 0.001 0.000 0.208 142 K C 2.368 178.969 176.600 0.001 0.000 1.048 142 K CA 1.182 57.469 56.287 0.001 0.000 0.929 142 K CB -0.656 31.845 32.500 0.001 0.000 0.713 142 K HN 0.417 nan 8.250 nan 0.000 0.439 143 A N 1.600 124.421 122.820 0.001 0.000 1.877 143 A HA -0.144 4.177 4.320 0.001 0.000 0.216 143 A C 2.111 179.696 177.584 0.002 0.000 1.186 143 A CA 1.589 53.627 52.037 0.002 0.000 0.620 143 A CB -0.651 18.350 19.000 0.002 0.000 0.822 143 A HN 0.370 nan 8.150 nan 0.000 0.443 144 I N -0.206 120.364 120.570 0.001 0.000 2.264 144 I HA -0.324 3.847 4.170 0.001 0.000 0.248 144 I C 2.927 179.045 176.117 0.001 0.000 1.111 144 I CA 1.145 62.446 61.300 0.000 0.000 1.382 144 I CB -0.376 37.623 38.000 -0.001 0.000 1.060 144 I HN 0.385 nan 8.210 nan 0.000 0.418 145 A N 0.101 122.922 122.820 0.001 0.000 1.898 145 A HA -0.225 4.096 4.320 0.001 0.000 0.216 145 A C 2.261 179.846 177.584 0.002 0.000 1.181 145 A CA 1.370 53.408 52.037 0.002 0.000 0.620 145 A CB -0.510 18.490 19.000 0.001 0.000 0.819 145 A HN 0.437 nan 8.150 nan 0.000 0.442 146 Q N -0.509 119.292 119.800 0.002 0.000 2.020 146 Q HA -0.124 4.217 4.340 0.001 0.000 0.202 146 Q C 2.166 178.167 176.000 0.003 0.000 0.982 146 Q CA 1.807 57.611 55.803 0.002 0.000 0.838 146 Q CB -0.375 28.364 28.738 0.002 0.000 0.899 146 Q HN 0.458 nan 8.270 nan 0.000 0.423 147 V N 0.492 120.409 119.914 0.004 0.000 2.332 147 V HA -0.243 3.877 4.120 0.001 0.000 0.248 147 V C 2.186 178.285 176.094 0.008 0.000 1.055 147 V CA 1.994 64.297 62.300 0.006 0.000 1.038 147 V CB -1.205 30.622 31.823 0.007 0.000 0.651 147 V HN 0.576 nan 8.190 nan 0.000 0.450 148 G N -0.600 108.204 108.800 0.007 0.000 2.418 148 G HA2 -0.234 3.727 3.960 0.001 0.000 0.217 148 G HA3 -0.234 3.727 3.960 0.001 0.000 0.217 148 G C 1.691 176.595 174.900 0.007 0.000 1.158 148 G CA 1.498 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 1.447 116.004 114.554 0.004 0.000 2.674 149 T HA -0.071 4.279 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 1.093 63.194 62.100 0.003 0.000 1.150 149 T CB -0.198 68.670 68.868 0.001 0.000 0.864 149 T HN 0.241 nan 8.240 nan 0.000 0.427 150 I N 1.346 121.918 120.570 0.002 0.000 2.208 150 I HA -0.171 4.000 4.170 0.001 0.000 0.245 150 I C 2.437 178.556 176.117 0.003 0.000 1.097 150 I CA 1.076 62.376 61.300 0.001 0.000 1.363 150 I CB -0.337 37.664 38.000 0.000 0.000 1.051 150 I HN 0.188 nan 8.210 nan 0.000 0.413 151 S N 0.523 116.228 115.700 0.008 0.000 2.515 151 S HA 0.085 4.556 4.470 0.001 0.000 0.231 151 S C 1.564 176.169 174.600 0.009 0.000 0.987 151 S CA 0.802 59.009 58.200 0.011 0.000 0.936 151 S CB -0.019 63.194 63.200 0.022 0.000 0.766 151 S HN 0.494 nan 8.310 nan 0.000 0.528 152 A N 1.565 124.389 122.820 0.006 0.000 2.577 152 A HA 0.459 4.780 4.320 0.001 0.000 0.280 152 A C 0.637 178.221 177.584 0.000 0.000 1.331 152 A CA -0.397 51.643 52.037 0.004 0.000 0.935 152 A CB -0.673 18.330 19.000 0.005 0.000 1.082 152 A HN 0.375 nan 8.150 nan 0.000 0.525 153 N N -0.254 118.445 118.700 -0.001 0.000 2.740 153 N HA -0.232 4.509 4.740 0.001 0.000 0.248 153 N C 0.191 175.699 175.510 -0.004 0.000 1.062 153 N CA 1.127 54.174 53.050 -0.004 0.000 0.704 153 N CB -1.862 36.622 38.487 -0.005 0.000 0.968 153 N HN 0.561 nan 8.380 nan 0.000 0.547 154 S N -1.743 113.955 115.700 -0.004 0.000 3.482 154 S HA -0.220 4.250 4.470 0.001 0.000 0.294 154 S C -0.395 174.204 174.600 -0.003 0.000 1.244 154 S CA 0.729 58.927 58.200 -0.004 0.000 0.911 154 S CB -1.135 62.061 63.200 -0.006 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 -0.001 0.000 2.468 155 D HA 0.259 4.899 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 -0.273 53.727 54.000 -0.001 0.000 0.924 155 D CB 0.355 41.155 40.800 -0.000 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 -0.001 0.000 2.273 156 E HA -0.163 4.187 4.350 0.001 0.000 0.198 156 E C 1.354 177.955 176.600 0.000 0.000 1.002 156 E CA 1.041 57.441 56.400 -0.000 0.000 0.828 156 E CB 0.279 29.979 29.700 -0.001 0.000 0.747 156 E HN 0.463 nan 8.360 nan 0.000 0.491 157 T N 0.761 115.316 114.554 0.000 0.000 2.643 157 T HA -0.147 4.204 4.350 0.001 0.000 0.264 157 T C 2.112 176.813 174.700 0.001 0.000 1.045 157 T CA 1.377 63.477 62.100 0.001 0.000 1.155 157 T CB -0.270 68.598 68.868 0.000 0.000 0.863 157 T HN 0.013 nan 8.240 nan 0.000 0.420 158 V N 1.447 121.362 119.914 0.002 0.000 2.469 158 V HA -0.129 3.992 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 64.196 62.300 0.004 0.000 1.066 158 V CB -1.413 30.413 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 0.003 0.000 2.402 159 G HA2 -0.290 3.671 3.960 0.001 0.000 0.216 159 G HA3 -0.290 3.671 3.960 0.001 0.000 0.216 159 G C 1.633 176.534 174.900 0.002 0.000 1.162 159 G CA 1.011 46.113 45.100 0.003 0.000 0.777 159 G HN 0.513 nan 8.290 nan 0.000 0.539 160 K N -0.010 120.391 120.400 0.001 0.000 2.057 160 K HA 0.072 4.393 4.320 0.001 0.000 0.206 160 K C 2.498 179.099 176.600 0.001 0.000 1.050 160 K CA 0.677 56.964 56.287 0.001 0.000 0.935 160 K CB -0.293 32.207 32.500 0.000 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 0.001 0.000 1.971 161 L HA -0.260 4.081 4.340 0.001 0.000 0.215 161 L C 2.485 179.356 176.870 0.001 0.000 1.072 161 L CA 1.647 56.488 54.840 0.001 0.000 0.758 161 L CB -0.419 41.641 42.059 0.002 0.000 0.889 161 L HN 0.279 nan 8.230 nan 0.000 0.433 162 I N -0.542 120.030 120.570 0.002 0.000 2.264 162 I HA -0.306 3.865 4.170 0.001 0.000 0.248 162 I C 2.731 178.847 176.117 -0.000 0.000 1.111 162 I CA 1.170 62.471 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 0.553 123.373 122.820 0.000 0.000 1.902 163 A HA -0.205 4.116 4.320 0.001 0.000 0.217 163 A C 2.215 179.799 177.584 -0.001 0.000 1.181 163 A CA 1.618 53.655 52.037 -0.001 0.000 0.623 163 A CB -0.494 18.506 19.000 -0.000 0.000 0.818 163 A HN 0.465 nan 8.150 nan 0.000 0.443 164 E N -0.164 120.035 120.200 -0.001 0.000 2.072 164 E HA -0.044 4.307 4.350 0.001 0.000 0.190 164 E C 2.336 178.935 176.600 -0.001 0.000 0.982 164 E CA 0.804 57.204 56.400 -0.001 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 1.449 124.268 122.820 -0.001 0.000 1.908 165 A HA -0.193 4.128 4.320 0.001 0.000 0.218 165 A C 2.173 179.755 177.584 -0.003 0.000 1.181 165 A CA 1.498 53.534 52.037 -0.002 0.000 0.627 165 A CB -0.482 18.517 19.000 -0.002 0.000 0.818 165 A HN 0.147 nan 8.150 nan 0.000 0.445 166 M N -1.166 118.432 119.600 -0.004 0.000 2.394 166 M HA -0.083 4.398 4.480 0.001 0.000 0.264 166 M C 1.616 177.914 176.300 -0.004 0.000 1.073 166 M CA 1.538 56.835 55.300 -0.005 0.000 1.111 166 M CB -0.363 32.234 32.600 -0.006 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 4.550 4.640 0.001 0.000 0.205 167 D C 1.986 178.285 176.300 -0.002 0.000 0.962 167 D CA 0.975 54.973 54.000 -0.002 0.000 0.855 167 D CB 0.391 41.190 40.800 -0.001 0.000 0.951 167 D HN -0.008 nan 8.370 nan 0.000 0.500 168 K N 0.044 120.443 120.400 -0.002 0.000 1.975 168 K HA -0.010 4.311 4.320 0.001 0.000 0.210 168 K C 2.025 178.624 176.600 -0.001 0.000 1.041 168 K CA 1.350 57.637 56.287 -0.001 0.000 0.942 168 K CB -0.884 31.615 32.500 -0.001 0.000 0.729 168 K HN 0.234 nan 8.250 nan 0.000 0.439 169 V N -1.533 118.380 119.914 -0.001 0.000 3.633 169 V HA 0.326 4.447 4.120 0.001 0.000 0.283 169 V C 0.558 176.650 176.094 -0.002 0.000 1.305 169 V CA 0.241 62.540 62.300 -0.001 0.000 1.153 169 V CB -0.901 30.922 31.823 -0.001 0.000 0.950 169 V HN 0.454 nan 8.190 nan 0.000 0.432 170 G N 1.938 110.736 108.800 -0.003 0.000 2.716 170 G HA2 -0.207 3.754 3.960 0.001 0.000 0.686 170 G HA3 -0.207 3.754 3.960 0.001 0.000 0.686 170 G C 0.187 175.083 174.900 -0.006 0.000 1.337 170 G CA -0.070 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 4.320 4.320 0.001 0.000 0.198 171 K C 1.037 177.629 176.600 -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 1.209 121.403 120.200 -0.010 0.000 2.481 172 E HA 0.087 4.438 4.350 0.001 0.000 0.198 172 E C 0.842 177.436 176.600 -0.010 0.000 1.027 172 E CA 0.106 56.500 56.400 -0.011 0.000 0.900 172 E CB 0.709 30.405 29.700 -0.007 0.000 0.993 172 E HN 0.415 nan 8.360 nan 0.000 0.482 173 G N 0.906 109.701 108.800 -0.009 0.000 2.599 173 G HA2 0.285 4.246 3.960 0.001 0.000 0.264 173 G HA3 0.285 4.246 3.960 0.001 0.000 0.264 173 G C 0.128 175.022 174.900 -0.011 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 0.671 120.580 119.914 -0.008 0.000 2.583 174 V HA 0.381 4.502 4.120 0.001 0.000 0.287 174 V C 0.317 176.403 176.094 -0.013 0.000 1.051 174 V CA 0.156 62.447 62.300 -0.015 0.000 1.010 174 V CB 0.751 32.565 31.823 -0.016 0.000 0.988 174 V HN 0.444 nan 8.190 nan 0.000 0.478 175 I N 3.588 124.148 120.570 -0.016 0.000 2.569 175 I HA 0.520 4.690 4.170 0.001 0.000 0.290 175 I C -0.244 175.867 176.117 -0.010 0.000 1.088 175 I CA -0.199 61.094 61.300 -0.011 0.000 1.047 175 I CB 2.584 40.578 38.000 -0.009 0.000 1.237 175 I HN 0.578 nan 8.210 nan 0.000 0.421 176 T N 4.312 118.862 114.554 -0.007 0.000 2.916 176 T HA 0.680 5.031 4.350 0.001 0.000 0.292 176 T C -0.763 173.938 174.700 0.000 0.000 1.064 176 T CA -0.697 61.401 62.100 -0.004 0.000 1.011 176 T CB 2.596 71.459 68.868 -0.009 0.000 1.152 176 T HN 0.459 nan 8.240 nan 0.000 0.510 177 V N -0.783 119.134 119.914 0.003 0.000 2.638 177 V HA 0.839 4.959 4.120 0.001 0.000 0.306 177 V C -1.062 175.034 176.094 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 4.783 4.350 0.001 0.000 0.269 178 E C -1.417 175.184 176.600 0.001 0.000 0.924 178 E CA -1.053 55.348 56.400 0.002 0.000 0.784 178 E CB 1.879 31.579 29.700 -0.000 0.000 1.292 178 E HN 0.792 nan 8.360 nan 0.000 0.447 179 D N 0.859 121.260 120.400 0.001 0.000 2.449 179 D HA 0.116 4.757 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 0.468 54.468 54.000 0.000 0.000 0.878 179 D CB 0.912 41.712 40.800 0.000 0.000 1.198 179 D HN 0.481 nan 8.370 nan 0.000 0.446 180 G N -0.603 108.196 108.800 -0.001 0.000 2.528 180 G HA2 0.266 4.227 3.960 0.001 0.000 0.289 180 G HA3 0.266 4.227 3.960 0.001 0.000 0.289 180 G C 1.053 175.951 174.900 -0.002 0.000 1.192 180 G CA -0.278 44.821 45.100 -0.002 0.000 0.921 180 G HN 0.440 nan 8.290 nan 0.000 0.512 181 T N -2.958 111.594 114.554 -0.003 0.000 3.088 181 T HA 0.405 4.756 4.350 0.001 0.000 0.259 181 T C 1.092 175.790 174.700 -0.003 0.000 1.122 181 T CA 0.733 62.831 62.100 -0.003 0.000 1.095 181 T CB -0.055 68.810 68.868 -0.004 0.000 0.930 181 T HN 2.092 nan 8.240 nan 0.000 0.508 182 G N 1.547 110.346 108.800 -0.002 0.000 3.160 182 G HA2 0.333 4.294 3.960 0.001 0.000 0.573 182 G HA3 0.333 4.294 3.960 0.001 0.000 0.573 182 G C -0.795 174.104 174.900 -0.002 0.000 1.286 182 G CA -0.697 44.401 45.100 -0.002 0.000 1.151 182 G HN 0.763 nan 8.290 nan 0.000 0.555 183 L N 0.942 122.164 121.223 -0.001 0.000 0.917 183 L HA -0.158 4.183 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 2.229 57.068 54.840 -0.001 0.000 1.219 183 L CB -0.708 41.350 42.059 -0.001 0.000 0.252 183 L HN 1.986 nan 8.230 nan 0.000 0.192 184 Q N 2.061 121.861 119.800 -0.001 0.000 3.195 184 Q HA -0.086 4.255 4.340 0.001 0.000 0.038 184 Q C -0.656 175.344 176.000 -0.001 0.000 1.688 184 Q CA 0.932 56.734 55.803 -0.001 0.000 0.257 184 Q CB -0.108 28.629 28.738 -0.001 0.000 0.583 184 Q HN 0.678 nan 8.270 nan 0.000 0.322 185 D N 2.522 122.921 120.400 -0.001 0.000 2.354 185 D HA 0.308 4.949 4.640 0.001 0.000 0.247 185 D C -0.083 176.217 176.300 -0.001 0.000 1.138 185 D CA 0.069 54.069 54.000 -0.001 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 -0.001 0.000 2.272 186 E HA 0.457 4.808 4.350 0.001 0.000 0.269 186 E C -1.200 175.400 176.600 -0.001 0.000 0.877 186 E CA -0.848 55.552 56.400 -0.001 0.000 0.755 186 E CB 2.435 32.134 29.700 -0.002 0.000 1.192 186 E HN 0.059 nan 8.360 nan 0.000 0.422 187 L N 4.254 125.476 121.223 -0.001 0.000 2.406 187 L HA 0.419 4.760 4.340 0.001 0.000 0.270 187 L C -1.811 175.058 176.870 -0.001 0.000 0.982 187 L CA -0.296 54.543 54.840 -0.001 0.000 0.843 187 L CB 1.089 43.148 42.059 -0.001 0.000 1.225 187 L HN 0.495 nan 8.230 nan 0.000 0.412 188 D N 4.097 124.496 120.400 -0.001 0.000 2.732 188 D HA 0.400 5.041 4.640 0.001 0.000 0.229 188 D C -1.063 175.237 176.300 -0.001 0.000 1.152 188 D CA -0.490 53.509 54.000 -0.001 0.000 0.854 188 D CB 2.323 43.121 40.800 -0.002 0.000 1.590 188 D HN 0.224 nan 8.370 nan 0.000 0.468 189 V N 1.017 120.931 119.914 0.000 0.000 2.407 189 V HA 0.418 4.539 4.120 0.001 0.000 0.278 189 V C 0.769 176.865 176.094 0.003 0.000 1.037 189 V CA -0.638 61.663 62.300 0.002 0.000 0.900 189 V CB 1.012 32.837 31.823 0.002 0.000 0.983 189 V HN 0.595 nan 8.190 nan 0.000 0.459 190 V N 1.852 121.770 119.914 0.005 0.000 3.166 190 V HA 0.646 4.767 4.120 0.001 0.000 0.317 190 V C 0.210 176.313 176.094 0.015 0.000 1.136 190 V CA -0.889 61.415 62.300 0.008 0.000 1.035 190 V CB 2.122 33.948 31.823 0.005 0.000 1.110 190 V HN 0.663 nan 8.190 nan 0.000 0.450 191 E N 2.132 122.343 120.200 0.020 0.000 2.222 191 E HA 0.311 4.662 4.350 0.001 0.000 0.312 191 E C 0.406 177.035 176.600 0.049 0.000 1.263 191 E CA 0.428 56.846 56.400 0.031 0.000 1.356 191 E CB 0.077 29.794 29.700 0.029 0.000 1.180 191 E HN 0.930 nan 8.360 nan 0.000 0.494 192 G N 0.648 109.459 108.800 0.017 0.000 2.531 192 G HA2 0.691 4.652 3.960 0.001 0.000 0.313 192 G HA3 0.691 4.652 3.960 0.001 0.000 0.313 192 G C -0.379 174.543 174.900 0.037 0.000 1.238 192 G CA -0.465 44.651 45.100 0.026 0.000 0.994 192 G HN 0.314 nan 8.290 nan 0.000 0.493 193 M N -0.637 118.997 119.600 0.058 0.000 2.603 193 M HA 0.431 4.912 4.480 0.001 0.000 0.275 193 M C -2.195 174.172 176.300 0.112 0.000 1.226 193 M CA -0.652 54.699 55.300 0.085 0.000 0.870 193 M CB 2.469 35.132 32.600 0.104 0.000 1.716 193 M HN 0.588 nan 8.290 nan 0.000 0.482 194 Q N 3.420 123.291 119.800 0.118 0.000 2.285 194 Q HA 0.594 4.935 4.340 0.001 0.000 0.269 194 Q C -2.180 173.905 176.000 0.141 0.000 1.030 194 Q CA -0.595 55.244 55.803 0.060 0.000 0.788 194 Q CB 1.914 30.645 28.738 -0.012 0.000 1.266 194 Q HN 0.587 nan 8.270 nan 0.000 0.438 195 F N 0.036 119.980 119.950 -0.010 0.000 2.593 195 F HA 0.545 5.073 4.527 0.001 0.000 0.320 195 F C -0.383 175.410 175.800 -0.012 0.000 1.060 195 F CA -1.290 56.705 58.000 -0.008 0.000 0.940 195 F CB 0.959 39.956 39.000 -0.004 0.000 1.268 195 F HN 0.266 nan 8.300 nan 0.000 0.475 196 D N 3.186 123.666 120.400 0.134 0.000 2.551 196 D HA 0.195 4.836 4.640 0.001 0.000 0.223 196 D C -0.305 176.024 176.300 0.048 0.000 1.144 196 D CA 0.280 54.297 54.000 0.029 0.000 1.025 196 D CB -0.092 40.738 40.800 0.050 0.000 1.085 196 D HN 0.310 nan 8.370 nan 0.000 0.506 197 R N 0.651 121.103 120.500 -0.080 0.000 2.508 197 R HA 0.421 4.762 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 -0.657 55.425 56.100 -0.029 0.000 0.958 197 R CB 1.807 32.239 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 -0.185 0.000 2.557 198 G HA2 0.427 4.388 3.960 0.001 0.000 0.302 198 G HA3 0.427 4.388 3.960 0.001 0.000 0.302 198 G C -0.543 174.226 174.900 -0.218 0.000 1.311 198 G CA -0.532 44.373 45.100 -0.324 0.000 1.030 198 G HN 0.436 nan 8.290 nan 0.000 0.509 199 Y N -1.213 119.094 120.300 0.012 0.000 2.597 199 Y HA 0.267 4.817 4.550 0.001 0.000 0.336 199 Y C 1.151 177.130 175.900 0.132 0.000 1.216 199 Y CA -1.022 57.114 58.100 0.060 0.000 1.463 199 Y CB 0.316 38.871 38.460 0.158 0.000 1.303 199 Y HN 0.173 nan 8.280 nan 0.000 0.576 200 L N 2.768 124.220 121.223 0.382 0.000 2.675 200 L HA 0.083 4.424 4.340 0.001 0.000 0.239 200 L C 0.108 177.239 176.870 0.436 0.000 1.151 200 L CA 0.806 55.852 54.840 0.344 0.000 0.905 200 L CB -0.986 41.237 42.059 0.272 0.000 1.057 200 L HN 0.920 nan 8.230 nan 0.000 0.435 201 S N -3.961 112.093 115.700 0.588 0.000 2.744 201 S HA 0.266 4.737 4.470 0.001 0.000 0.284 201 S C -2.967 171.684 174.600 0.085 0.000 0.979 201 S CA -1.227 57.172 58.200 0.331 0.000 0.870 201 S CB 0.951 64.271 63.200 0.201 0.000 1.094 201 S HN -0.265 nan 8.310 nan 0.000 0.458 202 P HA 0.420 nan 4.420 nan 0.000 0.327 202 P C 0.304 177.306 177.300 -0.496 0.000 1.342 202 P CA 0.527 63.245 63.100 -0.637 0.000 0.761 202 P CB -0.128 31.170 31.700 -0.669 0.000 1.675 203 Y N -4.899 115.209 120.300 -0.321 0.000 2.802 203 Y HA -0.310 4.241 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 1.509 59.432 58.100 -0.296 0.000 2.757 203 Y CB -3.069 35.154 38.460 -0.394 0.000 0.919 203 Y HN 0.108 nan 8.280 nan 0.000 0.540 204 F N 0.596 120.534 119.950 -0.020 0.000 2.250 204 F HA -0.080 4.448 4.527 0.001 0.000 0.301 204 F C 1.476 177.224 175.800 -0.087 0.000 1.077 204 F CA 0.869 58.847 58.000 -0.036 0.000 1.348 204 F CB -0.596 38.388 39.000 -0.027 0.000 1.040 204 F HN -0.001 nan 8.300 nan 0.000 0.509 205 I N 2.609 123.153 120.570 -0.043 0.000 2.818 205 I HA -0.162 4.009 4.170 0.001 0.000 0.285 205 I C 0.871 176.980 176.117 -0.013 0.000 1.160 205 I CA 0.222 61.475 61.300 -0.078 0.000 1.370 205 I CB -0.153 37.727 38.000 -0.201 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 4.723 4.740 0.001 0.000 0.181 206 N C 0.092 175.610 175.510 0.014 0.000 1.082 206 N CA 0.276 53.342 53.050 0.026 0.000 0.885 206 N CB 0.296 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 1.006 121.412 120.400 0.010 0.000 2.679 207 K HA 0.239 4.559 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 -1.713 54.579 56.287 0.007 0.000 1.006 207 K CB 2.033 34.541 32.500 0.014 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 0.275 177.569 177.300 -0.009 0.000 1.144 208 P CA 1.154 64.243 63.100 -0.018 0.000 0.783 208 P CB 0.504 32.189 31.700 -0.025 0.000 0.771 209 E N -0.134 120.064 120.200 -0.003 0.000 2.077 209 E HA -0.097 4.254 4.350 0.001 0.000 0.193 209 E C 1.623 178.224 176.600 0.001 0.000 0.989 209 E CA 1.733 58.132 56.400 -0.002 0.000 0.800 209 E CB -1.040 28.660 29.700 0.000 0.000 0.746 209 E HN 0.271 nan 8.360 nan 0.000 0.452 210 T N -1.437 113.122 114.554 0.009 0.000 3.054 210 T HA 0.275 4.626 4.350 0.001 0.000 0.255 210 T C 1.107 175.827 174.700 0.033 0.000 1.035 210 T CA 0.278 62.389 62.100 0.018 0.000 0.941 210 T CB 0.707 69.589 68.868 0.023 0.000 1.026 210 T HN 0.335 nan 8.240 nan 0.000 0.533 211 G N 1.795 110.610 108.800 0.025 0.000 2.258 211 G HA2 -0.051 3.910 3.960 0.001 0.000 0.274 211 G HA3 -0.051 3.910 3.960 0.001 0.000 0.274 211 G C 0.156 175.118 174.900 0.103 0.000 1.021 211 G CA 0.265 45.389 45.100 0.038 0.000 0.798 211 G HN 0.915 nan 8.290 nan 0.000 0.507 212 A N -1.615 121.257 122.820 0.087 0.000 2.437 212 A HA 0.938 5.259 4.320 0.001 0.000 0.292 212 A C -0.243 177.397 177.584 0.093 0.000 1.173 212 A CA -0.222 51.898 52.037 0.139 0.000 0.785 212 A CB 1.938 20.996 19.000 0.096 0.000 1.351 212 A HN 1.159 nan 8.150 nan 0.000 0.431 213 V N 0.708 120.696 119.914 0.124 0.000 2.513 213 V HA 0.566 4.687 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 1.329 33.224 31.823 0.121 0.000 0.988 213 V HN 0.917 nan 8.190 nan 0.000 0.440 214 E N 4.053 124.276 120.200 0.038 0.000 2.246 214 E HA 0.691 5.041 4.350 0.001 0.000 0.266 214 E C -1.828 174.781 176.600 0.015 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 0.627 nan 8.360 nan 0.000 0.416 215 L N 3.115 124.341 121.223 0.004 0.000 2.381 215 L HA 0.523 4.863 4.340 0.001 0.000 0.268 215 L C -0.550 176.310 176.870 -0.018 0.000 0.997 215 L CA -0.851 53.987 54.840 -0.003 0.000 0.818 215 L CB 2.164 44.221 42.059 -0.005 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 4.680 4.350 0.001 0.000 0.271 216 E C -0.455 176.102 176.600 -0.073 0.000 0.911 216 E CA -0.602 55.774 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 1.959 117.606 115.700 -0.089 0.000 3.550 217 S HA -0.131 4.339 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 61.706 63.200 -0.141 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 -0.239 176.913 177.300 -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 32.286 31.700 -0.061 0.000 1.150 219 F N -0.075 119.881 119.950 0.010 0.000 2.379 219 F HA 0.422 4.950 4.527 0.001 0.000 0.332 219 F C 0.836 176.642 175.800 0.009 0.000 1.096 219 F CA -0.365 57.641 58.000 0.009 0.000 1.105 219 F CB 0.651 39.656 39.000 0.008 0.000 1.189 219 F HN 0.015 nan 8.300 nan 0.000 0.515 220 I N 4.582 125.285 120.570 0.222 0.000 2.411 220 I HA 0.213 4.384 4.170 0.001 0.000 0.284 220 I C -1.094 175.079 176.117 0.093 0.000 1.012 220 I CA -0.881 60.493 61.300 0.123 0.000 1.119 220 I CB 1.508 39.562 38.000 0.089 0.000 1.261 220 I HN 0.266 nan 8.210 nan 0.000 0.448 221 L N 8.325 129.590 121.223 0.069 0.000 2.281 221 L HA 0.379 4.720 4.340 0.001 0.000 0.285 221 L C -0.654 176.231 176.870 0.025 0.000 1.074 221 L CA 0.229 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 6.863 128.094 121.223 0.012 0.000 2.417 222 L HA 0.549 4.889 4.340 0.001 0.000 0.258 222 L C 0.174 177.040 176.870 -0.007 0.000 1.088 222 L CA -0.380 54.459 54.840 -0.003 0.000 0.975 222 L CB 0.590 42.642 42.059 -0.012 0.000 1.341 222 L HN 0.787 nan 8.230 nan 0.000 0.431 223 A N 0.777 123.596 122.820 -0.002 0.000 2.276 223 A HA 0.279 4.600 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 0.445 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 2.390 122.785 120.400 -0.007 0.000 2.741 224 D HA 0.350 4.990 4.640 0.001 0.000 0.233 224 D C 0.074 176.374 176.300 0.001 0.000 1.160 224 D CA 0.177 54.172 54.000 -0.008 0.000 1.003 224 D CB -0.586 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 -0.854 119.551 120.400 0.008 0.000 2.999 225 K HA 0.263 4.584 4.320 0.001 0.000 0.295 225 K C -1.247 175.366 176.600 0.021 0.000 1.082 225 K CA -1.165 55.130 56.287 0.014 0.000 0.816 225 K CB 0.624 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 0.844 121.259 120.400 0.025 0.000 2.144 226 K HA 0.448 4.768 4.320 0.001 0.000 0.270 226 K C -0.548 176.069 176.600 0.029 0.000 1.005 226 K CA -0.541 55.765 56.287 0.031 0.000 0.932 226 K CB 0.843 33.362 32.500 0.032 0.000 1.021 226 K HN 0.373 nan 8.250 nan 0.000 0.462 227 I N 2.068 122.658 120.570 0.034 0.000 2.420 227 I HA 0.076 4.247 4.170 0.001 0.000 0.282 227 I C 0.322 176.461 176.117 0.037 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 3.303 119.021 115.700 0.031 0.000 2.566 228 S HA 0.190 4.660 4.470 0.001 0.000 0.234 228 S C 0.706 175.322 174.600 0.027 0.000 1.075 228 S CA 0.026 58.245 58.200 0.030 0.000 0.926 228 S CB 0.210 63.425 63.200 0.026 0.000 0.811 228 S HN 0.579 nan 8.310 nan 0.000 0.518 229 N N 1.949 120.663 118.700 0.022 0.000 2.434 229 N HA 0.276 5.017 4.740 0.001 0.000 0.272 229 N C 0.529 176.051 175.510 0.020 0.000 1.040 229 N CA -0.087 52.974 53.050 0.019 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 2.831 123.413 120.570 0.020 0.000 2.493 230 I HA -0.214 3.957 4.170 0.001 0.000 0.254 230 I C 1.956 178.082 176.117 0.016 0.000 1.160 230 I CA 0.968 62.281 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 0.424 nan 8.210 nan 0.000 0.433 231 R N 0.936 121.443 120.500 0.012 0.000 2.134 231 R HA -0.267 4.073 4.340 0.001 0.000 0.248 231 R C 2.009 178.313 176.300 0.007 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 0.561 nan 8.270 nan 0.000 0.441 232 E N -0.080 120.125 120.200 0.008 0.000 2.118 232 E HA -0.197 4.154 4.350 0.001 0.000 0.195 232 E C 2.023 178.626 176.600 0.005 0.000 0.992 232 E CA 1.202 57.606 56.400 0.006 0.000 0.804 232 E CB -0.047 29.658 29.700 0.009 0.000 0.741 232 E HN 0.284 nan 8.360 nan 0.000 0.458 233 M N 0.229 119.836 119.600 0.010 0.000 2.236 233 M HA -0.021 4.460 4.480 0.001 0.000 0.266 233 M C 2.360 178.664 176.300 0.006 0.000 1.070 233 M CA 0.929 56.236 55.300 0.011 0.000 1.137 233 M CB -0.832 31.781 32.600 0.022 0.000 1.378 233 M HN 0.139 nan 8.290 nan 0.000 0.426 234 L N 0.693 121.920 121.223 0.007 0.000 2.058 234 L HA -0.277 4.064 4.340 0.001 0.000 0.226 234 L C -0.184 176.685 176.870 -0.003 0.000 1.089 234 L CA 2.087 56.930 54.840 0.004 0.000 0.799 234 L CB -2.691 39.370 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 1.568 64.659 63.100 -0.016 0.000 0.863 235 P CB 0.014 31.705 31.700 -0.016 0.000 0.787 236 V N 0.350 120.248 119.914 -0.028 0.000 2.453 236 V HA -0.168 3.953 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 1.271 63.544 62.300 -0.045 0.000 1.049 236 V CB -1.248 30.551 31.823 -0.040 0.000 0.672 236 V HN -0.021 nan 8.190 nan 0.000 0.457 237 L N -0.112 121.104 121.223 -0.010 0.000 2.079 237 L HA -0.213 4.127 4.340 0.001 0.000 0.210 237 L C 2.583 179.456 176.870 0.005 0.000 1.081 237 L CA 1.764 56.609 54.840 0.008 0.000 0.752 237 L CB -0.600 41.471 42.059 0.020 0.000 0.896 237 L HN 0.420 nan 8.230 nan 0.000 0.433 238 E N 0.057 120.254 120.200 -0.004 0.000 2.107 238 E HA -0.146 4.205 4.350 0.001 0.000 0.191 238 E C 2.328 178.919 176.600 -0.015 0.000 0.982 238 E CA 0.952 57.350 56.400 -0.003 0.000 0.809 238 E CB -0.154 29.543 29.700 -0.006 0.000 0.756 238 E HN 0.477 nan 8.360 nan 0.000 0.459 239 A N 1.028 123.824 122.820 -0.041 0.000 1.972 239 A HA -0.130 4.191 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 1.093 53.086 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 4.087 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 -0.770 31.088 31.823 0.058 0.000 0.738 240 V HN 0.579 nan 8.190 nan 0.000 0.469 241 A N 0.115 122.961 122.820 0.044 0.000 1.940 241 A HA -0.158 4.163 4.320 0.001 0.000 0.219 241 A C 1.588 179.204 177.584 0.055 0.000 1.176 241 A CA 1.318 53.384 52.037 0.048 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 -2.925 117.503 120.400 0.047 0.000 2.318 242 K HA 0.462 4.782 4.320 0.001 0.000 0.243 242 K C 1.088 177.746 176.600 0.097 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 0.031 0.000 1.225 242 K HN 0.684 nan 8.250 nan 0.000 0.506 243 A N -0.063 122.814 122.820 0.096 0.000 3.768 243 A HA -0.221 4.100 4.320 0.001 0.000 0.270 243 A C 1.103 178.760 177.584 0.121 0.000 1.019 243 A CA 1.489 53.610 52.037 0.140 0.000 1.058 243 A CB -2.498 16.664 19.000 0.269 0.000 1.085 243 A HN 1.343 nan 8.150 nan 0.000 0.857 244 G N -0.987 107.872 108.800 0.099 0.000 2.412 244 G HA2 -0.245 3.716 3.960 0.001 0.000 0.297 244 G HA3 -0.245 3.716 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 0.541 121.002 120.400 0.100 0.000 2.371 245 K HA 0.516 4.836 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 2.970 35.361 32.500 -0.180 0.000 1.204 245 K HN 0.077 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 0.758 32.471 31.700 0.022 0.000 1.006 247 L N 1.511 122.793 121.223 0.098 0.000 2.386 247 L HA 0.548 4.889 4.340 0.001 0.000 0.271 247 L C -1.355 175.547 176.870 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 43.755 42.059 0.123 0.000 1.294 247 L HN 0.170 nan 8.230 nan 0.000 0.414 248 L N 6.055 127.310 121.223 0.054 0.000 2.298 248 L HA 0.592 4.932 4.340 0.001 0.000 0.284 248 L C -1.181 175.703 176.870 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 43.176 42.059 0.030 0.000 1.221 248 L HN 0.423 nan 8.230 nan 0.000 0.418 249 I N 7.199 127.763 120.570 -0.009 0.000 2.301 249 I HA 0.254 4.425 4.170 0.001 0.000 0.292 249 I C 0.049 176.180 176.117 0.024 0.000 1.046 249 I CA -0.056 61.249 61.300 0.008 0.000 1.282 249 I CB 0.821 38.821 38.000 -0.001 0.000 1.409 249 I HN 0.579 nan 8.210 nan 0.000 0.484 250 I N 6.217 126.810 120.570 0.038 0.000 2.523 250 I HA 0.399 4.570 4.170 0.001 0.000 0.281 250 I C 0.524 176.653 176.117 0.019 0.000 1.126 250 I CA -0.169 61.159 61.300 0.048 0.000 1.187 250 I CB 0.708 38.734 38.000 0.043 0.000 1.478 250 I HN 0.603 nan 8.210 nan 0.000 0.522 251 A N 3.244 126.081 122.820 0.028 0.000 2.284 251 A HA 0.402 4.722 4.320 0.001 0.000 0.317 251 A C 1.159 178.760 177.584 0.028 0.000 1.120 251 A CA -0.481 51.569 52.037 0.022 0.000 0.900 251 A CB 1.013 20.029 19.000 0.027 0.000 1.319 251 A HN 0.638 nan 8.150 nan 0.000 0.494 252 E N -0.840 119.376 120.200 0.026 0.000 2.209 252 E HA -0.130 4.221 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 0.049 0.000 2.898 253 D HA 0.038 4.678 4.640 0.001 0.000 0.254 253 D C -1.983 174.352 176.300 0.059 0.000 1.107 253 D CA -0.459 53.576 54.000 0.058 0.000 0.729 253 D CB 1.222 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 2.966 122.924 119.914 0.073 0.000 2.304 254 V HA 0.401 4.521 4.120 0.001 0.000 0.278 254 V C 0.168 176.313 176.094 0.086 0.000 1.018 254 V CA -0.604 61.744 62.300 0.080 0.000 0.814 254 V CB 1.101 32.983 31.823 0.099 0.000 1.021 254 V HN 0.442 nan 8.190 nan 0.000 0.440 255 E N 2.627 122.867 120.200 0.067 0.000 2.345 255 E HA 0.375 4.725 4.350 0.001 0.000 0.259 255 E C 1.457 178.093 176.600 0.060 0.000 1.117 255 E CA 0.170 56.607 56.400 0.061 0.000 0.913 255 E CB 1.028 30.755 29.700 0.046 0.000 1.057 255 E HN 0.663 nan 8.360 nan 0.000 0.432 256 G N 1.694 110.526 108.800 0.052 0.000 2.864 256 G HA2 -0.449 3.512 3.960 0.001 0.000 0.250 256 G HA3 -0.449 3.512 3.960 0.001 0.000 0.250 256 G C 1.292 176.215 174.900 0.037 0.000 1.154 256 G CA 1.439 46.565 45.100 0.043 0.000 0.755 256 G HN 0.671 nan 8.290 nan 0.000 0.697 257 E N 1.022 121.239 120.200 0.030 0.000 2.072 257 E HA -0.275 4.076 4.350 0.001 0.000 0.218 257 E C 2.968 179.586 176.600 0.031 0.000 1.051 257 E CA 2.155 58.570 56.400 0.024 0.000 0.880 257 E CB -0.917 28.796 29.700 0.021 0.000 0.783 257 E HN 0.419 nan 8.360 nan 0.000 0.473 258 A N 0.939 123.784 122.820 0.041 0.000 1.877 258 A HA -0.189 4.131 4.320 0.001 0.000 0.216 258 A C 2.373 180.001 177.584 0.074 0.000 1.186 258 A CA 1.806 53.874 52.037 0.051 0.000 0.620 258 A CB -0.868 18.164 19.000 0.053 0.000 0.822 258 A HN 0.358 nan 8.150 nan 0.000 0.443 259 L N -0.136 121.141 121.223 0.090 0.000 2.012 259 L HA -0.114 4.227 4.340 0.001 0.000 0.210 259 L C 2.731 179.650 176.870 0.083 0.000 1.073 259 L CA 2.362 57.282 54.840 0.134 0.000 0.748 259 L CB -0.886 41.259 42.059 0.143 0.000 0.891 259 L HN 0.369 nan 8.230 nan 0.000 0.431 260 A N -1.603 121.238 122.820 0.036 0.000 1.917 260 A HA -0.265 4.056 4.320 0.001 0.000 0.219 260 A C 2.269 179.836 177.584 -0.029 0.000 1.182 260 A CA 2.575 54.602 52.037 -0.016 0.000 0.633 260 A CB -1.320 17.671 19.000 -0.015 0.000 0.819 260 A HN 0.558 nan 8.150 nan 0.000 0.448 261 T N 0.520 115.076 114.554 0.004 0.000 2.708 261 T HA -0.092 4.258 4.350 0.001 0.000 0.266 261 T C 1.825 176.535 174.700 0.017 0.000 1.037 261 T CA 1.480 63.582 62.100 0.004 0.000 1.146 261 T CB -0.447 68.433 68.868 0.019 0.000 0.865 261 T HN 0.388 nan 8.240 nan 0.000 0.435 262 L N 0.909 122.173 121.223 0.068 0.000 2.042 262 L HA -0.116 4.224 4.340 0.001 0.000 0.210 262 L C 2.662 179.581 176.870 0.082 0.000 1.076 262 L CA 0.973 55.894 54.840 0.136 0.000 0.749 262 L CB -0.845 41.375 42.059 0.267 0.000 0.893 262 L HN 0.159 nan 8.230 nan 0.000 0.432 263 V N -0.889 118.990 119.914 -0.059 0.000 2.427 263 V HA -0.209 3.912 4.120 0.001 0.000 0.248 263 V C 2.348 178.303 176.094 -0.232 0.000 1.051 263 V CA 1.363 63.491 62.300 -0.287 0.000 1.048 263 V CB -0.168 31.421 31.823 -0.389 0.000 0.666 263 V HN 0.211 nan 8.190 nan 0.000 0.456 264 V N 0.435 120.256 119.914 -0.154 0.000 2.346 264 V HA -0.200 3.921 4.120 0.001 0.000 0.244 264 V C 2.057 178.107 176.094 -0.073 0.000 1.037 264 V CA 2.184 64.406 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 0.601 nan 8.190 nan 0.000 0.454 265 N N 0.732 119.413 118.700 -0.031 0.000 2.080 265 N HA -0.165 4.576 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 1.848 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 4.296 4.350 0.001 0.000 0.269 266 T C 1.643 176.355 174.700 0.021 0.000 1.127 266 T CA 0.626 62.763 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 0.050 nan 8.240 nan 0.000 0.517 267 M N 0.794 120.376 119.600 -0.030 0.000 2.447 267 M HA 0.287 4.768 4.480 0.001 0.000 0.264 267 M C 1.767 178.048 176.300 -0.031 0.000 1.095 267 M CA 0.975 56.243 55.300 -0.054 0.000 1.125 267 M CB -0.010 32.514 32.600 -0.126 0.000 1.389 267 M HN 0.062 nan 8.290 nan 0.000 0.459 268 R N -0.897 119.590 120.500 -0.022 0.000 2.466 268 R HA 0.384 4.725 4.340 0.001 0.000 0.279 268 R C 1.011 177.311 176.300 0.000 0.000 0.976 268 R CA 0.494 56.586 56.100 -0.014 0.000 1.081 268 R CB -0.060 30.230 30.300 -0.017 0.000 1.215 268 R HN 0.518 nan 8.270 nan 0.000 0.546 269 G N 1.669 110.475 108.800 0.009 0.000 2.189 269 G HA2 -0.304 3.656 3.960 0.001 0.000 0.267 269 G HA3 -0.304 3.656 3.960 0.001 0.000 0.267 269 G C 0.362 175.275 174.900 0.023 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 1.742 122.324 120.570 0.020 0.000 2.472 270 I HA 0.342 4.513 4.170 0.001 0.000 0.305 270 I C 0.784 176.922 176.117 0.036 0.000 1.196 270 I CA -0.170 61.144 61.300 0.023 0.000 1.613 270 I CB -0.218 37.791 38.000 0.016 0.000 1.501 270 I HN 0.151 nan 8.210 nan 0.000 0.754 271 V N 4.115 124.055 119.914 0.042 0.000 3.493 271 V HA -0.224 3.897 4.120 0.001 0.000 0.498 271 V C -0.058 176.077 176.094 0.069 0.000 0.682 271 V CA 0.189 62.523 62.300 0.056 0.000 2.046 271 V CB -0.896 30.961 31.823 0.057 0.000 2.479 271 V HN 0.713 nan 8.190 nan 0.000 0.507 272 K N 4.232 124.675 120.400 0.072 0.000 2.284 272 K HA 0.707 5.028 4.320 0.001 0.000 0.287 272 K C -0.482 176.173 176.600 0.091 0.000 1.081 272 K CA -0.200 56.137 56.287 0.084 0.000 0.910 272 K CB 1.521 34.060 32.500 0.066 0.000 1.088 272 K HN 0.561 nan 8.250 nan 0.000 0.478 273 V N 1.436 121.423 119.914 0.122 0.000 2.841 273 V HA 0.827 4.948 4.120 0.001 0.000 0.310 273 V C -0.874 175.243 176.094 0.038 0.000 1.090 273 V CA -1.111 61.240 62.300 0.087 0.000 0.930 273 V CB 2.055 33.938 31.823 0.099 0.000 1.014 273 V HN 0.748 nan 8.190 nan 0.000 0.425 274 A N 2.878 125.576 122.820 -0.203 0.000 2.414 274 A HA 1.008 5.328 4.320 0.001 0.000 0.306 274 A C -0.519 176.716 177.584 -0.582 0.000 1.054 274 A CA -0.238 51.346 52.037 -0.754 0.000 0.724 274 A CB 1.875 20.604 19.000 -0.453 0.000 1.267 274 A HN 1.554 nan 8.150 nan 0.000 0.418 275 A N 0.967 123.300 122.820 -0.811 0.000 2.365 275 A HA 0.861 5.182 4.320 0.001 0.000 0.318 275 A C -0.379 177.121 177.584 -0.141 0.000 1.091 275 A CA -0.128 51.741 52.037 -0.280 0.000 0.763 275 A CB 1.308 20.249 19.000 -0.099 0.000 1.248 275 A HN 2.302 nan 8.150 nan 0.000 0.442 276 V N -0.678 119.228 119.914 -0.013 0.000 2.971 276 V HA 0.603 4.724 4.120 0.001 0.000 0.309 276 V C -0.544 175.616 176.094 0.110 0.000 1.130 276 V CA -1.218 61.118 62.300 0.060 0.000 0.964 276 V CB 1.450 33.318 31.823 0.073 0.000 1.029 276 V HN 0.886 nan 8.190 nan 0.000 0.427 277 K N 2.040 122.511 120.400 0.119 0.000 2.276 277 K HA 0.639 4.960 4.320 0.001 0.000 0.259 277 K C 0.454 177.142 176.600 0.146 0.000 1.001 277 K CA 0.338 56.694 56.287 0.114 0.000 0.927 277 K CB 1.061 33.620 32.500 0.099 0.000 0.969 277 K HN 1.136 nan 8.250 nan 0.000 0.490 278 A N 3.560 126.422 122.820 0.069 0.000 2.371 278 A HA 0.257 4.578 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 -1.284 50.740 52.037 -0.022 0.000 0.794 278 A CB -0.257 18.715 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 -0.166 0.000 0.876 280 G N 1.864 110.732 108.800 0.113 0.000 2.752 280 G HA2 -0.053 3.908 3.960 0.001 0.000 0.234 280 G HA3 -0.053 3.908 3.960 0.001 0.000 0.234 280 G C -0.796 174.265 174.900 0.270 0.000 1.367 280 G CA 0.070 45.276 45.100 0.178 0.000 0.879 280 G HN 0.765 nan 8.290 nan 0.000 0.563 281 F N -2.526 117.433 119.950 0.016 0.000 2.711 281 F HA 0.821 5.349 4.527 0.001 0.000 0.313 281 F C 0.966 176.777 175.800 0.019 0.000 1.141 281 F CA 0.250 58.260 58.000 0.018 0.000 0.941 281 F CB 0.938 39.954 39.000 0.027 0.000 1.349 281 F HN 2.497 nan 8.300 nan 0.000 0.464 282 G N 1.372 110.117 108.800 -0.092 0.000 2.550 282 G HA2 -0.287 3.674 3.960 0.001 0.000 0.277 282 G HA3 -0.287 3.674 3.960 0.001 0.000 0.277 282 G C 0.308 175.111 174.900 -0.162 0.000 1.190 282 G CA 0.598 45.585 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 -0.099 4.542 4.640 0.001 0.000 0.196 283 D C 2.528 178.750 176.300 -0.129 0.000 0.986 283 D CA 1.718 55.644 54.000 -0.123 0.000 0.829 283 D CB -0.394 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 4.166 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 1.400 57.414 56.100 -0.144 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 1.563 121.992 120.500 -0.119 0.000 2.094 285 R HA -0.167 4.174 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 2.245 58.301 56.100 -0.074 0.000 0.943 285 R CB -0.125 30.154 30.300 -0.036 0.000 0.850 285 R HN 0.351 nan 8.270 nan 0.000 0.433 286 K N -0.012 120.348 120.400 -0.067 0.000 2.057 286 K HA -0.090 4.231 4.320 0.001 0.000 0.207 286 K C 2.195 178.756 176.600 -0.064 0.000 1.049 286 K CA 1.436 57.689 56.287 -0.058 0.000 0.931 286 K CB -0.216 32.255 32.500 -0.047 0.000 0.714 286 K HN 0.266 nan 8.250 nan 0.000 0.440 287 A N 1.346 124.125 122.820 -0.069 0.000 1.933 287 A HA -0.164 4.157 4.320 0.001 0.000 0.218 287 A C 2.137 179.675 177.584 -0.076 0.000 1.175 287 A CA 1.602 53.599 52.037 -0.067 0.000 0.628 287 A CB -0.472 18.486 19.000 -0.069 0.000 0.814 287 A HN 0.201 nan 8.150 nan 0.000 0.444 288 M N -1.118 118.427 119.600 -0.091 0.000 2.200 288 M HA 0.050 4.531 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 0.951 56.183 55.300 -0.113 0.000 1.127 288 M CB -0.282 32.243 32.600 -0.125 0.000 1.379 288 M HN 0.436 nan 8.290 nan 0.000 0.420 289 L N 0.297 121.442 121.223 -0.129 0.000 2.191 289 L HA -0.248 4.093 4.340 0.001 0.000 0.212 289 L C 2.532 179.344 176.870 -0.097 0.000 1.103 289 L CA 1.326 56.087 54.840 -0.132 0.000 0.769 289 L CB -0.168 41.833 42.059 -0.096 0.000 0.908 289 L HN 0.327 nan 8.230 nan 0.000 0.438 290 Q N 0.020 119.774 119.800 -0.076 0.000 2.083 290 Q HA -0.200 4.141 4.340 0.001 0.000 0.198 290 Q C 1.711 177.679 176.000 -0.053 0.000 0.969 290 Q CA 1.753 57.523 55.803 -0.055 0.000 0.838 290 Q CB -0.118 28.593 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 -0.064 0.000 2.149 291 D HA -0.169 4.471 4.640 0.001 0.000 0.198 291 D C 1.842 178.113 176.300 -0.049 0.000 0.990 291 D CA 1.413 55.381 54.000 -0.053 0.000 0.839 291 D CB -0.069 40.695 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 -0.076 0.000 2.252 292 I HA -0.231 3.940 4.170 0.001 0.000 0.245 292 I C 2.629 178.730 176.117 -0.027 0.000 1.102 292 I CA 0.831 62.094 61.300 -0.061 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 0.729 123.530 122.820 -0.032 0.000 1.858 293 A HA -0.213 4.108 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 2.542 54.571 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 0.376 nan 8.150 nan 0.000 0.443 294 T N 0.311 114.857 114.554 -0.012 0.000 2.803 294 T HA -0.114 4.237 4.350 0.001 0.000 0.269 294 T C 1.784 176.484 174.700 -0.001 0.000 1.052 294 T CA 1.290 63.385 62.100 -0.007 0.000 1.136 294 T CB -0.231 68.630 68.868 -0.013 0.000 0.864 294 T HN 0.292 nan 8.240 nan 0.000 0.467 295 L N 1.796 123.019 121.223 -0.000 0.000 2.068 295 L HA 0.000 4.341 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 2.181 57.026 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 0.411 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 4.564 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 62.522 62.100 0.028 0.000 1.012 296 T CB -0.206 68.685 68.868 0.038 0.000 0.977 296 T HN 0.558 nan 8.240 nan 0.000 0.527 297 G N 0.530 109.345 108.800 0.024 0.000 2.221 297 G HA2 0.006 3.967 3.960 0.001 0.000 0.265 297 G HA3 0.006 3.967 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 -1.706 107.111 108.800 0.027 0.000 2.753 298 G HA2 0.791 4.751 3.960 0.001 0.000 0.285 298 G HA3 0.791 4.751 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 0.724 nan 8.290 nan 0.000 0.532 299 T N 0.196 114.752 114.554 0.004 0.000 2.881 299 T HA 0.383 4.734 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 1.610 70.474 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 0.505 176.591 176.094 -0.014 0.000 1.028 300 V CA 0.006 62.296 62.300 -0.016 0.000 1.074 300 V CB 0.007 31.817 31.823 -0.023 0.000 0.958 300 V HN 0.781 nan 8.190 nan 0.000 0.481 301 I N 5.667 126.230 120.570 -0.012 0.000 2.316 301 I HA 0.219 4.390 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 2.796 118.490 115.700 -0.009 0.000 2.565 302 S HA 0.375 4.846 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 -0.825 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 1.117 121.315 120.200 -0.003 0.000 2.347 303 E HA -0.100 4.250 4.350 0.001 0.000 0.196 303 E C 1.304 177.902 176.600 -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 29.655 29.700 0.001 0.000 0.783 303 E HN 0.782 nan 8.360 nan 0.000 0.505 304 E N 0.556 120.754 120.200 -0.004 0.000 2.160 304 E HA -0.148 4.202 4.350 0.001 0.000 0.195 304 E C 1.368 177.965 176.600 -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 0.331 nan 8.360 nan 0.000 0.466 305 I N 0.063 120.629 120.570 -0.006 0.000 3.891 305 I HA 0.160 4.330 4.170 0.001 0.000 0.331 305 I C 0.736 176.849 176.117 -0.006 0.000 1.406 305 I CA -0.164 61.132 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 3.680 3.960 0.001 0.000 0.296 306 G HA3 -0.281 3.680 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 0.141 45.238 45.100 -0.004 0.000 1.004 306 G HN 0.371 nan 8.290 nan 0.000 0.509 307 M N -0.318 119.279 119.600 -0.005 0.000 2.472 307 M HA 0.524 5.005 4.480 0.001 0.000 0.331 307 M C 0.226 176.522 176.300 -0.005 0.000 1.170 307 M CA -0.388 54.908 55.300 -0.007 0.000 1.009 307 M CB 1.737 34.333 32.600 -0.008 0.000 1.672 307 M HN 0.238 nan 8.290 nan 0.000 0.453 308 E N 1.735 121.931 120.200 -0.007 0.000 2.212 308 E HA 0.327 4.678 4.350 0.001 0.000 0.268 308 E C 0.182 176.777 176.600 -0.008 0.000 0.902 308 E CA -0.517 55.880 56.400 -0.006 0.000 0.779 308 E CB 2.327 32.024 29.700 -0.005 0.000 1.172 308 E HN 0.663 nan 8.360 nan 0.000 0.409 309 L N 1.574 122.794 121.223 -0.006 0.000 2.201 309 L HA -0.165 4.175 4.340 0.001 0.000 0.212 309 L C 1.609 178.473 176.870 -0.011 0.000 1.105 309 L CA 1.052 55.888 54.840 -0.008 0.000 0.775 309 L CB -0.235 41.823 42.059 -0.002 0.000 0.913 309 L HN 0.533 nan 8.230 nan 0.000 0.440 310 E N 0.641 120.836 120.200 -0.009 0.000 2.106 310 E HA -0.137 4.213 4.350 0.001 0.000 0.192 310 E C 0.918 177.509 176.600 -0.015 0.000 0.984 310 E CA 1.040 57.433 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 0.528 120.919 120.400 -0.015 0.000 3.165 311 K HA 0.443 4.764 4.320 0.001 0.000 0.259 311 K C -0.803 175.783 176.600 -0.022 0.000 1.282 311 K CA -0.213 56.064 56.287 -0.017 0.000 1.259 311 K CB 0.799 33.291 32.500 -0.013 0.000 1.546 311 K HN -0.028 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 4.747 4.320 0.001 0.000 0.304 312 A C 0.029 177.579 177.584 -0.056 0.000 1.118 312 A CA -0.681 51.333 52.037 -0.037 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 -0.065 114.450 114.554 -0.064 0.000 2.936 313 T HA 0.526 4.877 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 0.560 69.387 68.868 -0.069 0.000 1.097 313 T HN 0.385 nan 8.240 nan 0.000 0.532 314 L N -0.020 121.080 121.223 -0.206 0.000 2.447 314 L HA -0.055 4.285 4.340 0.001 0.000 0.225 314 L C 2.717 179.460 176.870 -0.213 0.000 1.148 314 L CA 1.358 55.982 54.840 -0.361 0.000 0.808 314 L CB -0.586 41.196 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 4.181 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 0.700 57.074 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 0.297 120.671 120.400 -0.043 0.000 2.162 316 D HA -0.067 4.574 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 0.325 54.311 54.000 -0.024 0.000 0.840 316 D CB 0.080 40.861 40.800 -0.031 0.000 0.972 316 D HN 0.130 nan 8.370 nan 0.000 0.482 317 L N 1.112 122.320 121.223 -0.026 0.000 2.485 317 L HA 0.186 4.527 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 0.370 42.416 42.059 -0.023 0.000 1.114 317 L HN -0.142 nan 8.230 nan 0.000 0.485 318 G N 1.481 110.351 108.800 0.118 0.000 2.557 318 G HA2 0.550 4.511 3.960 0.001 0.000 0.292 318 G HA3 0.550 4.511 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 0.110 0.000 0.978 318 G HN 0.581 nan 8.290 nan 0.000 0.498 319 Q N -1.793 118.062 119.800 0.091 0.000 2.479 319 Q HA 0.556 4.897 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 55.065 55.803 0.035 0.000 0.864 319 Q CB 2.101 30.851 28.738 0.019 0.000 1.444 319 Q HN 1.031 nan 8.270 nan 0.000 0.388 320 A N 2.072 124.872 122.820 -0.033 0.000 2.587 320 A HA 0.443 4.764 4.320 0.001 0.000 0.293 320 A C -0.514 177.041 177.584 -0.049 0.000 1.087 320 A CA -0.614 51.409 52.037 -0.025 0.000 0.692 320 A CB 1.649 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 2.211 321 K HA -0.037 4.284 4.320 0.001 0.000 0.203 321 K C 0.714 177.292 176.600 -0.038 0.000 1.050 321 K CA 1.391 57.653 56.287 -0.042 0.000 0.945 321 K CB 0.110 32.593 32.500 -0.028 0.000 0.732 321 K HN 0.559 nan 8.250 nan 0.000 0.451 322 R N -0.239 120.246 120.500 -0.026 0.000 2.644 322 R HA 0.176 4.517 4.340 0.001 0.000 0.257 322 R C -2.073 174.220 176.300 -0.012 0.000 1.082 322 R CA -0.586 55.502 56.100 -0.021 0.000 0.927 322 R CB 1.682 31.972 30.300 -0.016 0.000 1.258 322 R HN -0.059 nan 8.270 nan 0.000 0.459 323 V N 0.347 120.255 119.914 -0.011 0.000 2.808 323 V HA 0.839 4.960 4.120 0.001 0.000 0.308 323 V C -1.280 174.806 176.094 -0.013 0.000 1.099 323 V CA -0.696 61.599 62.300 -0.009 0.000 0.920 323 V CB 2.053 33.876 31.823 0.000 0.000 1.014 323 V HN 0.438 nan 8.190 nan 0.000 0.425 324 V N 5.599 125.498 119.914 -0.026 0.000 2.656 324 V HA 0.667 4.788 4.120 0.001 0.000 0.307 324 V C -0.277 175.791 176.094 -0.045 0.000 1.051 324 V CA -0.426 61.862 62.300 -0.019 0.000 0.893 324 V CB 1.773 33.587 31.823 -0.015 0.000 0.999 324 V HN 1.072 nan 8.190 nan 0.000 0.426 325 I N 1.009 121.575 120.570 -0.007 0.000 2.533 325 I HA 0.692 4.862 4.170 0.001 0.000 0.290 325 I C -0.503 175.647 176.117 0.055 0.000 1.056 325 I CA -0.553 60.732 61.300 -0.026 0.000 1.057 325 I CB 2.133 40.126 38.000 -0.012 0.000 1.240 325 I HN 0.435 nan 8.210 nan 0.000 0.423 326 N N 4.560 123.225 118.700 -0.059 0.000 2.620 326 N HA 0.225 4.966 4.740 0.001 0.000 0.307 326 N C 0.634 175.896 175.510 -0.412 0.000 1.316 326 N CA -0.672 52.347 53.050 -0.053 0.000 0.931 326 N CB 0.680 39.124 38.487 -0.072 0.000 1.116 326 N HN 0.684 nan 8.380 nan 0.000 0.573 327 K N 0.120 120.289 120.400 -0.386 0.000 2.283 327 K HA -0.139 4.182 4.320 0.001 0.000 0.202 327 K C -0.618 175.655 176.600 -0.545 0.000 1.048 327 K CA 1.619 57.499 56.287 -0.678 0.000 0.948 327 K CB -0.017 32.377 32.500 -0.176 0.000 0.742 327 K HN 0.604 nan 8.250 nan 0.000 0.458 328 D N -1.272 118.927 120.400 -0.335 0.000 3.279 328 D HA 0.116 4.757 4.640 0.001 0.000 0.336 328 D C -1.038 175.150 176.300 -0.188 0.000 1.512 328 D CA -0.498 53.366 54.000 -0.228 0.000 0.754 328 D CB 0.675 41.392 40.800 -0.139 0.000 1.278 328 D HN -0.160 nan 8.370 nan 0.000 0.553 329 T N -0.279 114.135 114.554 -0.234 0.000 3.291 329 T HA 0.529 4.880 4.350 0.001 0.000 0.344 329 T C -1.258 173.244 174.700 -0.330 0.000 1.293 329 T CA -0.423 61.527 62.100 -0.251 0.000 1.108 329 T CB 2.062 70.829 68.868 -0.168 0.000 1.231 329 T HN -0.053 nan 8.240 nan 0.000 0.474 330 T N 2.293 116.505 114.554 -0.570 0.000 2.812 330 T HA 0.651 5.002 4.350 0.001 0.000 0.282 330 T C -0.557 173.814 174.700 -0.549 0.000 0.990 330 T CA -0.481 61.237 62.100 -0.636 0.000 0.960 330 T CB 1.628 69.879 68.868 -1.028 0.000 0.948 330 T HN 0.568 nan 8.240 nan 0.000 0.438 331 T N 3.942 118.346 114.554 -0.250 0.000 2.840 331 T HA 0.621 4.971 4.350 0.001 0.000 0.287 331 T C -0.607 174.072 174.700 -0.036 0.000 0.991 331 T CA -0.634 61.396 62.100 -0.117 0.000 0.964 331 T CB 0.118 68.939 68.868 -0.079 0.000 0.954 331 T HN 0.476 nan 8.240 nan 0.000 0.438 332 I N 6.641 127.228 120.570 0.029 0.000 2.307 332 I HA 0.411 4.581 4.170 0.001 0.000 0.289 332 I C -0.115 176.020 176.117 0.030 0.000 1.021 332 I CA -0.683 60.646 61.300 0.049 0.000 1.224 332 I CB 1.111 39.172 38.000 0.102 0.000 1.376 332 I HN 0.537 nan 8.210 nan 0.000 0.470 333 I N 5.829 126.406 120.570 0.013 0.000 2.321 333 I HA 0.210 4.381 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 60.905 61.300 0.006 0.000 1.227 333 I CB 0.973 38.972 38.000 -0.002 0.000 1.368 333 I HN 0.605 nan 8.210 nan 0.000 0.466 334 D N 4.892 125.295 120.400 0.005 0.000 3.620 334 D HA -0.112 4.529 4.640 0.001 0.000 0.237 334 D C 0.098 176.400 176.300 0.002 0.000 1.111 334 D CA 0.937 54.939 54.000 0.002 0.000 1.070 334 D CB -0.129 40.669 40.800 -0.004 0.000 0.891 334 D HN 0.824 nan 8.370 nan 0.000 0.412 335 G N 1.023 109.828 108.800 0.009 0.000 2.476 335 G HA2 0.428 4.389 3.960 0.001 0.000 0.286 335 G HA3 0.428 4.389 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 -0.369 44.738 45.100 0.011 0.000 0.870 335 G HN 0.377 nan 8.290 nan 0.000 0.528 336 V N 1.867 121.787 119.914 0.010 0.000 2.626 336 V HA 0.001 4.122 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 1.153 63.460 62.300 0.012 0.000 1.081 336 V CB -1.292 30.543 31.823 0.020 0.000 0.686 336 V HN 0.896 nan 8.190 nan 0.000 0.468 337 G N 1.004 109.814 108.800 0.015 0.000 2.351 337 G HA2 -0.092 3.868 3.960 0.001 0.000 0.231 337 G HA3 -0.092 3.868 3.960 0.001 0.000 0.231 337 G C -0.118 174.788 174.900 0.009 0.000 1.163 337 G CA -0.059 45.048 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 4.445 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 -0.345 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 1.875 122.076 120.200 0.003 0.000 2.284 339 E HA -0.304 4.046 4.350 0.001 0.000 0.200 339 E C 1.685 178.285 176.600 0.000 0.000 1.008 339 E CA 1.191 57.591 56.400 0.001 0.000 0.829 339 E CB -0.084 29.616 29.700 0.001 0.000 0.744 339 E HN 0.587 nan 8.360 nan 0.000 0.491 340 A N 1.634 124.454 122.820 0.000 0.000 1.841 340 A HA -0.073 4.248 4.320 0.001 0.000 0.214 340 A C 2.445 180.028 177.584 -0.002 0.000 1.195 340 A CA 1.648 53.685 52.037 -0.001 0.000 0.611 340 A CB -0.738 18.262 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 -0.095 4.226 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 1.610 53.645 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 -0.944 119.625 120.570 -0.003 0.000 2.099 342 I HA -0.299 3.872 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 4.199 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 57.865 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 -0.108 108.689 108.800 -0.006 0.000 2.404 344 G HA2 -0.304 3.656 3.960 0.001 0.000 0.215 344 G HA3 -0.304 3.656 3.960 0.001 0.000 0.215 344 G C 1.547 176.441 174.900 -0.010 0.000 1.174 344 G CA 0.772 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 -0.011 0.000 2.105 345 R HA -0.054 4.287 4.340 0.001 0.000 0.239 345 R C 2.526 178.817 176.300 -0.015 0.000 1.135 345 R CA 1.618 57.709 56.100 -0.014 0.000 0.967 345 R CB -0.864 29.427 30.300 -0.015 0.000 0.861 345 R HN 0.238 nan 8.270 nan 0.000 0.442 346 V N 0.634 120.541 119.914 -0.013 0.000 2.295 346 V HA -0.208 3.913 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 1.915 64.207 62.300 -0.013 0.000 1.024 346 V CB -1.046 30.771 31.823 -0.010 0.000 0.648 346 V HN 0.551 nan 8.190 nan 0.000 0.447 347 A N -0.635 122.178 122.820 -0.011 0.000 1.908 347 A HA -0.308 4.013 4.320 0.001 0.000 0.218 347 A C 2.177 179.754 177.584 -0.013 0.000 1.181 347 A CA 2.134 54.165 52.037 -0.011 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 -0.397 119.394 119.800 -0.014 0.000 1.975 348 Q HA -0.170 4.171 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 1.842 57.636 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 3.879 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 1.059 62.343 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 0.861 121.349 120.500 -0.019 0.000 2.096 350 R HA -0.168 4.173 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 30.263 30.300 -0.013 0.000 0.861 350 R HN 0.429 nan 8.270 nan 0.000 0.440 351 Q N -0.687 119.105 119.800 -0.015 0.000 2.187 351 Q HA -0.100 4.241 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 0.761 56.556 55.803 -0.013 0.000 0.857 351 Q CB 0.220 28.951 28.738 -0.012 0.000 0.929 351 Q HN 0.396 nan 8.270 nan 0.000 0.453 352 Q N 0.581 120.369 119.800 -0.019 0.000 2.112 352 Q HA -0.196 4.145 4.340 0.001 0.000 0.206 352 Q C 2.087 178.074 176.000 -0.022 0.000 0.987 352 Q CA 1.277 57.067 55.803 -0.022 0.000 0.858 352 Q CB -0.315 28.406 28.738 -0.029 0.000 0.905 352 Q HN 0.496 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 3.944 4.170 0.001 0.000 0.251 353 I C 2.169 178.278 176.117 -0.014 0.000 1.133 353 I CA 0.849 62.137 61.300 -0.021 0.000 1.413 353 I CB -0.282 37.705 38.000 -0.021 0.000 1.073 353 I HN 0.136 nan 8.210 nan 0.000 0.424 354 E N 1.292 121.485 120.200 -0.012 0.000 2.047 354 E HA -0.197 4.154 4.350 0.001 0.000 0.191 354 E C 1.761 178.356 176.600 -0.007 0.000 0.987 354 E CA 1.238 57.633 56.400 -0.009 0.000 0.799 354 E CB -0.338 29.357 29.700 -0.008 0.000 0.752 354 E HN 0.605 nan 8.360 nan 0.000 0.449 355 E N 0.996 121.191 120.200 -0.009 0.000 2.511 355 E HA 0.143 4.494 4.350 0.001 0.000 0.196 355 E C 0.275 176.871 176.600 -0.006 0.000 1.066 355 E CA -0.027 56.369 56.400 -0.007 0.000 0.871 355 E CB 0.128 29.823 29.700 -0.008 0.000 0.863 355 E HN 0.070 nan 8.360 nan 0.000 0.520 356 A N 1.746 124.562 122.820 -0.007 0.000 2.522 356 A HA 0.055 4.376 4.320 0.001 0.000 0.256 356 A C 1.265 178.850 177.584 0.003 0.000 1.086 356 A CA 0.210 52.244 52.037 -0.005 0.000 0.763 356 A CB -0.082 18.912 19.000 -0.010 0.000 1.024 356 A HN 0.237 nan 8.150 nan 0.000 0.502 357 T N -0.576 113.983 114.554 0.008 0.000 3.069 357 T HA 0.346 4.696 4.350 0.001 0.000 0.252 357 T C 0.528 175.242 174.700 0.022 0.000 1.053 357 T CA 0.481 62.588 62.100 0.012 0.000 0.964 357 T CB -0.086 68.788 68.868 0.011 0.000 1.005 357 T HN 0.756 nan 8.240 nan 0.000 0.532 358 S N -0.155 115.563 115.700 0.030 0.000 2.547 358 S HA 0.361 4.832 4.470 0.001 0.000 0.281 358 S C 0.084 174.719 174.600 0.058 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 0.079 0.000 1.053 358 S HN 0.100 nan 8.310 nan 0.000 0.482 359 D N 2.269 122.710 120.400 0.068 0.000 2.104 359 D HA -0.132 4.509 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 0.064 0.000 0.830 359 D CB -0.260 40.580 40.800 0.066 0.000 0.959 359 D HN 0.722 nan 8.370 nan 0.000 0.452 360 Y N 2.184 122.485 120.300 0.002 0.000 2.081 360 Y HA -0.251 4.299 4.550 0.001 0.000 0.280 360 Y C 1.644 177.541 175.900 -0.003 0.000 1.163 360 Y CA 2.034 60.136 58.100 0.003 0.000 1.135 360 Y CB -0.479 37.984 38.460 0.005 0.000 0.970 360 Y HN -0.103 nan 8.280 nan 0.000 0.498 361 D N -0.760 119.631 120.400 -0.014 0.000 2.178 361 D HA -0.147 4.493 4.640 0.001 0.000 0.201 361 D C 2.251 178.483 176.300 -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 0.556 121.019 120.500 -0.061 0.000 2.066 362 R HA -0.117 4.224 4.340 0.001 0.000 0.232 362 R C 1.743 177.999 176.300 -0.073 0.000 1.131 362 R CA 1.041 57.111 56.100 -0.049 0.000 0.955 362 R CB 0.141 30.431 30.300 -0.017 0.000 0.851 362 R HN 0.085 nan 8.270 nan 0.000 0.432 363 E N 0.920 121.066 120.200 -0.090 0.000 2.031 363 E HA -0.196 4.155 4.350 0.001 0.000 0.193 363 E C 1.886 178.403 176.600 -0.139 0.000 0.994 363 E CA 1.062 57.406 56.400 -0.094 0.000 0.800 363 E CB -0.184 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 0.815 121.065 120.400 -0.251 0.000 2.113 364 K HA -0.089 4.232 4.320 0.001 0.000 0.208 364 K C 2.415 178.927 176.600 -0.146 0.000 1.047 364 K CA 0.715 56.856 56.287 -0.243 0.000 0.928 364 K CB -0.573 31.698 32.500 -0.381 0.000 0.716 364 K HN 0.200 nan 8.250 nan 0.000 0.446 365 L N 0.905 122.054 121.223 -0.125 0.000 2.027 365 L HA -0.181 4.160 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 0.226 nan 8.230 nan 0.000 0.433 366 Q N -0.143 119.624 119.800 -0.056 0.000 2.226 366 Q HA -0.229 4.112 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 -0.106 28.613 28.738 -0.032 0.000 0.915 366 Q HN 0.559 nan 8.270 nan 0.000 0.440 367 E N 0.569 120.743 120.200 -0.044 0.000 2.072 367 E HA -0.146 4.205 4.350 0.001 0.000 0.191 367 E C 2.067 178.653 176.600 -0.025 0.000 0.985 367 E CA 0.668 57.049 56.400 -0.032 0.000 0.801 367 E CB 0.051 29.727 29.700 -0.040 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 -0.109 4.232 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 1.510 57.591 56.100 -0.032 0.000 0.963 368 R CB -0.622 29.651 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 3.978 4.120 0.001 0.000 0.247 369 V C 2.355 178.442 176.094 -0.011 0.000 1.051 369 V CA 1.819 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 0.434 123.248 122.820 -0.010 0.000 1.902 370 A HA -0.189 4.132 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 2.244 54.279 52.037 -0.004 0.000 0.623 370 A CB -0.594 18.403 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 -0.043 4.278 4.320 0.001 0.000 0.207 371 K C 1.848 178.457 176.600 0.015 0.000 1.049 371 K CA 1.272 57.570 56.287 0.017 0.000 0.933 371 K CB -0.253 32.263 32.500 0.027 0.000 0.714 371 K HN 0.356 nan 8.250 nan 0.000 0.438 372 L N 0.178 121.404 121.223 0.005 0.000 2.240 372 L HA 0.022 4.363 4.340 0.001 0.000 0.211 372 L C 1.788 178.659 176.870 0.002 0.000 1.106 372 L CA 1.332 56.173 54.840 0.002 0.000 0.793 372 L CB -0.154 41.900 42.059 -0.007 0.000 0.927 372 L HN 0.063 nan 8.230 nan 0.000 0.446 373 A N -1.813 121.007 122.820 -0.000 0.000 2.267 373 A HA 0.367 4.688 4.320 0.001 0.000 0.213 373 A C 2.064 179.648 177.584 0.001 0.000 1.192 373 A CA 0.554 52.591 52.037 -0.001 0.000 0.851 373 A CB -0.567 18.431 19.000 -0.003 0.000 0.881 373 A HN 0.412 nan 8.150 nan 0.000 0.494 374 G N -0.677 108.130 108.800 0.012 0.000 2.459 374 G HA2 0.410 4.370 3.960 0.001 0.000 0.213 374 G HA3 0.410 4.370 3.960 0.001 0.000 0.213 374 G C 1.096 176.005 174.900 0.015 0.000 1.155 374 G CA 0.648 45.755 45.100 0.012 0.000 0.811 374 G HN 1.584 nan 8.290 nan 0.000 0.534 375 G N -1.391 107.423 108.800 0.024 0.000 2.632 375 G HA2 0.020 3.981 3.960 0.001 0.000 0.224 375 G HA3 0.020 3.981 3.960 0.001 0.000 0.224 375 G C -0.713 174.199 174.900 0.021 0.000 1.341 375 G CA -0.188 44.927 45.100 0.025 0.000 0.880 375 G HN 1.107 nan 8.290 nan 0.000 0.566 376 V N 0.428 120.351 119.914 0.014 0.000 2.567 376 V HA 0.683 4.803 4.120 0.001 0.000 0.298 376 V C 0.650 176.745 176.094 0.001 0.000 1.047 376 V CA -0.046 62.257 62.300 0.005 0.000 0.880 376 V CB 1.135 32.958 31.823 0.001 0.000 1.009 376 V HN 2.167 nan 8.190 nan 0.000 0.429 377 A N 4.777 127.596 122.820 -0.001 0.000 2.401 377 A HA 0.715 5.035 4.320 0.001 0.000 0.259 377 A C -0.338 177.244 177.584 -0.003 0.000 1.103 377 A CA -0.153 51.883 52.037 -0.002 0.000 0.789 377 A CB 0.636 19.634 19.000 -0.002 0.000 1.035 377 A HN 0.785 nan 8.150 nan 0.000 0.491 378 V N 4.226 124.138 119.914 -0.003 0.000 2.448 378 V HA 0.361 4.482 4.120 0.001 0.000 0.295 378 V C -0.223 175.870 176.094 -0.002 0.000 1.025 378 V CA -0.208 62.090 62.300 -0.003 0.000 0.859 378 V CB 1.486 33.306 31.823 -0.004 0.000 0.988 378 V HN 0.738 nan 8.190 nan 0.000 0.431 379 I N 4.893 125.463 120.570 -0.001 0.000 2.330 379 I HA 0.405 4.576 4.170 0.001 0.000 0.289 379 I C 0.008 176.125 176.117 0.000 0.000 1.001 379 I CA -0.497 60.803 61.300 0.000 0.000 1.193 379 I CB 1.291 39.292 38.000 0.002 0.000 1.345 379 I HN 0.499 nan 8.210 nan 0.000 0.461 380 K N 6.036 126.436 120.400 -0.000 0.000 2.281 380 K HA 0.413 4.734 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 -0.001 0.000 0.898 380 K CB 1.712 34.211 32.500 -0.002 0.000 1.128 380 K HN 0.318 nan 8.250 nan 0.000 0.460 381 V N 2.942 122.857 119.914 0.001 0.000 2.673 381 V HA -0.004 4.117 4.120 0.001 0.000 0.303 381 V C 1.475 177.569 176.094 0.000 0.000 1.046 381 V CA -0.053 62.248 62.300 0.001 0.000 1.126 381 V CB 0.653 32.477 31.823 0.001 0.000 0.934 381 V HN 0.953 nan 8.190 nan 0.000 0.487 382 G N 2.582 111.382 108.800 -0.000 0.000 2.504 382 G HA2 0.416 4.376 3.960 0.001 0.000 0.291 382 G HA3 0.416 4.376 3.960 0.001 0.000 0.291 382 G C 0.351 175.251 174.900 -0.001 0.000 1.345 382 G CA 0.500 45.600 45.100 -0.001 0.000 1.090 382 G HN 1.241 nan 8.290 nan 0.000 0.591 383 A N -2.627 120.192 122.820 -0.001 0.000 2.588 383 A HA 0.839 5.160 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 1.036 53.072 52.037 -0.001 0.000 1.987 383 A CB -0.485 18.515 19.000 -0.001 0.000 2.500 383 A HN 2.608 nan 8.150 nan 0.000 0.982 384 A N -0.421 122.399 122.820 -0.001 0.000 2.611 384 A HA 0.514 4.835 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 1.316 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 -2.577 111.976 114.554 -0.002 0.000 0.554 385 T HA -0.067 4.284 4.350 0.001 0.000 0.772 385 T C 0.276 174.976 174.700 -0.001 0.000 0.992 385 T CA 1.340 63.439 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 -0.001 0.000 2.130 386 E HA -0.157 4.193 4.350 0.001 0.000 0.196 386 E C 2.010 178.610 176.600 -0.001 0.000 0.998 386 E CA 2.196 58.595 56.400 -0.001 0.000 0.806 386 E CB -0.127 29.572 29.700 -0.001 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 -0.001 0.000 2.261 387 V HA -0.261 3.860 4.120 0.001 0.000 0.246 387 V C 2.163 178.257 176.094 -0.001 0.000 1.047 387 V CA 2.281 64.581 62.300 -0.001 0.000 1.015 387 V CB -0.639 31.184 31.823 -0.001 0.000 0.642 387 V HN 0.292 nan 8.190 nan 0.000 0.446 388 E N -0.367 119.832 120.200 -0.001 0.000 2.110 388 E HA -0.240 4.111 4.350 0.001 0.000 0.193 388 E C 2.195 178.794 176.600 -0.001 0.000 0.988 388 E CA 1.393 57.793 56.400 -0.001 0.000 0.804 388 E CB -0.254 29.445 29.700 -0.001 0.000 0.745 388 E HN 0.437 nan 8.360 nan 0.000 0.458 389 M N 1.232 120.832 119.600 -0.001 0.000 2.086 389 M HA -0.173 4.308 4.480 0.001 0.000 0.261 389 M C 1.695 177.995 176.300 -0.000 0.000 1.067 389 M CA 1.569 56.869 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 0.328 120.727 120.400 -0.000 0.000 2.147 390 K HA -0.180 4.141 4.320 0.001 0.000 0.205 390 K C 1.873 178.473 176.600 -0.001 0.000 1.049 390 K CA 1.398 57.685 56.287 -0.000 0.000 0.936 390 K CB -0.559 31.941 32.500 -0.000 0.000 0.722 390 K HN 0.607 nan 8.250 nan 0.000 0.446 391 E N 1.309 121.508 120.200 -0.001 0.000 2.028 391 E HA -0.164 4.187 4.350 0.001 0.000 0.190 391 E C 2.071 178.670 176.600 -0.001 0.000 0.984 391 E CA 0.947 57.346 56.400 -0.002 0.000 0.800 391 E CB 0.076 29.775 29.700 -0.002 0.000 0.758 391 E HN 0.150 nan 8.360 nan 0.000 0.448 392 K N 1.050 121.449 120.400 -0.001 0.000 2.152 392 K HA -0.219 4.102 4.320 0.001 0.000 0.206 392 K C 2.253 178.854 176.600 0.002 0.000 1.048 392 K CA 1.543 57.830 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 0.110 120.510 120.400 0.002 0.000 2.057 393 K HA -0.151 4.170 4.320 0.001 0.000 0.207 393 K C 1.943 178.545 176.600 0.004 0.000 1.049 393 K CA 1.307 57.595 56.287 0.003 0.000 0.931 393 K CB -0.189 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 1.434 124.255 122.820 0.001 0.000 1.902 394 A HA -0.158 4.163 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 1.414 53.450 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 -0.685 119.816 120.500 0.001 0.000 2.073 395 R HA -0.098 4.242 4.340 0.001 0.000 0.234 395 R C 2.071 178.376 176.300 0.009 0.000 1.134 395 R CA 1.540 57.641 56.100 0.003 0.000 0.952 395 R CB -0.665 29.636 30.300 0.002 0.000 0.850 395 R HN 0.396 nan 8.270 nan 0.000 0.433 396 V N 1.409 121.329 119.914 0.009 0.000 2.332 396 V HA -0.261 3.860 4.120 0.001 0.000 0.248 396 V C 2.048 178.155 176.094 0.022 0.000 1.055 396 V CA 1.881 64.189 62.300 0.013 0.000 1.038 396 V CB -0.486 31.342 31.823 0.010 0.000 0.651 396 V HN 0.372 nan 8.190 nan 0.000 0.450 397 E N -0.134 120.078 120.200 0.021 0.000 2.058 397 E HA -0.234 4.117 4.350 0.001 0.000 0.194 397 E C 2.037 178.669 176.600 0.054 0.000 0.997 397 E CA 1.587 58.008 56.400 0.033 0.000 0.801 397 E CB -0.187 29.526 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 4.513 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 1.279 55.299 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 1.200 124.046 122.820 0.042 0.000 1.917 399 A HA -0.201 4.120 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 1.387 53.447 52.037 0.039 0.000 0.633 399 A CB -0.848 18.165 19.000 0.023 0.000 0.819 399 A HN 0.249 nan 8.150 nan 0.000 0.448 400 L N -0.848 120.405 121.223 0.051 0.000 2.017 400 L HA -0.199 4.142 4.340 0.001 0.000 0.208 400 L C 2.416 179.315 176.870 0.049 0.000 1.073 400 L CA 2.750 57.614 54.840 0.040 0.000 0.745 400 L CB -0.851 41.228 42.059 0.034 0.000 0.894 400 L HN 0.633 nan 8.230 nan 0.000 0.432 401 H N -0.275 118.794 119.070 -0.002 0.000 2.321 401 H HA -0.117 4.440 4.556 0.001 0.000 0.300 401 H C 1.928 177.257 175.328 0.001 0.000 1.087 401 H CA 1.754 57.801 56.048 -0.001 0.000 1.319 401 H CB 0.107 29.868 29.762 -0.002 0.000 1.379 401 H HN 0.476 nan 8.280 nan 0.000 0.501 402 A N -0.105 122.830 122.820 0.192 0.000 1.898 402 A HA -0.123 4.197 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 1.954 54.066 52.037 0.125 0.000 0.620 402 A CB -0.948 18.108 19.000 0.092 0.000 0.819 402 A HN 0.516 nan 8.150 nan 0.000 0.442 403 T N -0.559 114.009 114.554 0.023 0.000 2.788 403 T HA -0.124 4.227 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 1.656 122.127 120.500 -0.047 0.000 2.070 404 R HA 0.053 4.394 4.340 0.001 0.000 0.233 404 R C 2.575 178.831 176.300 -0.075 0.000 1.137 404 R CA 1.939 57.993 56.100 -0.078 0.000 0.945 404 R CB -1.145 29.070 30.300 -0.141 0.000 0.845 404 R HN 0.410 nan 8.270 nan 0.000 0.430 405 A N 0.548 123.316 122.820 -0.087 0.000 1.902 405 A HA -0.097 4.224 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 2.128 54.135 52.037 -0.049 0.000 0.623 405 A CB -0.859 18.131 19.000 -0.017 0.000 0.818 405 A HN 0.458 nan 8.150 nan 0.000 0.443 406 A N -0.597 122.219 122.820 -0.007 0.000 1.908 406 A HA -0.064 4.257 4.320 0.001 0.000 0.218 406 A C 2.232 179.814 177.584 -0.005 0.000 1.181 406 A CA 1.930 53.968 52.037 0.000 0.000 0.627 406 A CB -1.011 17.991 19.000 0.005 0.000 0.818 406 A HN 0.434 nan 8.150 nan 0.000 0.445 407 V N 0.027 119.934 119.914 -0.011 0.000 2.407 407 V HA -0.272 3.849 4.120 0.001 0.000 0.248 407 V C 2.409 178.496 176.094 -0.010 0.000 1.055 407 V CA 2.319 64.613 62.300 -0.011 0.000 1.049 407 V CB -0.801 31.013 31.823 -0.015 0.000 0.662 407 V HN 0.655 nan 8.190 nan 0.000 0.455 408 E N -0.569 119.622 120.200 -0.015 0.000 2.047 408 E HA -0.143 4.208 4.350 0.001 0.000 0.191 408 E C 1.598 178.195 176.600 -0.005 0.000 0.987 408 E CA 1.365 57.758 56.400 -0.012 0.000 0.799 408 E CB 0.133 29.823 29.700 -0.017 0.000 0.752 408 E HN 0.722 nan 8.360 nan 0.000 0.449 409 E N -1.163 119.035 120.200 -0.002 0.000 4.156 409 E HA 0.403 4.753 4.350 0.001 0.000 0.223 409 E C 0.202 176.804 176.600 0.004 0.000 1.107 409 E CA -0.214 56.188 56.400 0.002 0.000 0.903 409 E CB 0.784 30.487 29.700 0.004 0.000 2.687 409 E HN 0.097 nan 8.360 nan 0.000 0.517 410 G N 0.273 109.076 108.800 0.005 0.000 2.866 410 G HA2 0.561 4.522 3.960 0.001 0.000 0.289 410 G HA3 0.561 4.522 3.960 0.001 0.000 0.289 410 G C -1.232 173.674 174.900 0.010 0.000 1.396 410 G CA -0.355 44.749 45.100 0.007 0.000 0.848 410 G HN 0.310 nan 8.290 nan 0.000 0.515 411 V N -2.155 117.766 119.914 0.011 0.000 2.960 411 V HA 0.934 5.055 4.120 0.001 0.000 0.315 411 V C 0.078 176.181 176.094 0.014 0.000 1.087 411 V CA -0.736 61.572 62.300 0.013 0.000 0.982 411 V CB 1.109 32.939 31.823 0.012 0.000 1.039 411 V HN 1.526 nan 8.190 nan 0.000 0.437 412 V N -1.286 118.637 119.914 0.015 0.000 3.160 412 V HA 1.007 5.127 4.120 0.001 0.000 0.310 412 V C 0.381 176.485 176.094 0.017 0.000 1.181 412 V CA -0.721 61.589 62.300 0.017 0.000 1.047 412 V CB 1.229 33.062 31.823 0.018 0.000 1.068 412 V HN 1.962 nan 8.190 nan 0.000 0.441 413 A N 0.776 123.608 122.820 0.020 0.000 2.511 413 A HA 0.666 4.986 4.320 0.001 0.000 0.242 413 A C 0.852 178.444 177.584 0.013 0.000 1.069 413 A CA 0.649 52.697 52.037 0.018 0.000 0.763 413 A CB -0.370 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 0.430 109.234 108.800 0.006 0.000 2.509 414 G HA2 0.516 4.476 3.960 0.001 0.000 0.269 414 G HA3 0.516 4.476 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 -0.050 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 -1.975 106.825 108.800 0.000 0.000 2.233 415 G HA2 0.203 4.164 3.960 0.001 0.000 0.270 415 G HA3 0.203 4.164 3.960 0.001 0.000 0.270 415 G C 1.515 176.425 174.900 0.016 0.000 1.011 415 G CA 1.245 46.348 45.100 0.005 0.000 0.762 415 G HN 2.463 nan 8.290 nan 0.000 0.511 416 G N -2.414 106.395 108.800 0.015 0.000 2.168 416 G HA2 -0.127 3.834 3.960 0.001 0.000 0.263 416 G HA3 -0.127 3.834 3.960 0.001 0.000 0.263 416 G C 1.880 176.793 174.900 0.021 0.000 0.977 416 G CA 1.936 47.046 45.100 0.018 0.000 0.659 416 G HN 2.224 nan 8.290 nan 0.000 0.533 417 V N -1.338 118.589 119.914 0.022 0.000 2.591 417 V HA 0.363 4.484 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 1.406 nan 8.190 nan 0.000 0.462 418 A N 0.794 123.630 122.820 0.027 0.000 1.883 418 A HA -0.127 4.194 4.320 0.001 0.000 0.217 418 A C 2.236 179.835 177.584 0.024 0.000 1.186 418 A CA 2.382 54.434 52.037 0.026 0.000 0.624 418 A CB -0.795 18.218 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 4.220 4.340 0.001 0.000 0.209 419 L C 2.443 179.326 176.870 0.021 0.000 1.094 419 L CA 0.873 55.725 54.840 0.019 0.000 0.763 419 L CB -0.366 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 3.952 4.170 0.001 0.000 0.248 420 I C 2.649 178.786 176.117 0.034 0.000 1.119 420 I CA 0.750 62.068 61.300 0.030 0.000 1.417 420 I CB -0.175 37.847 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 4.271 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 3.912 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 64.111 62.300 0.017 0.000 1.036 422 V CB -0.861 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 0.928 123.758 122.820 0.017 0.000 1.883 423 A HA -0.242 4.079 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 54.541 52.037 0.014 0.000 0.624 423 A CB -0.884 18.125 19.000 0.015 0.000 0.822 423 A HN 0.698 nan 8.150 nan 0.000 0.444 424 S N -0.032 115.679 115.700 0.019 0.000 2.399 424 S HA -0.156 4.314 4.470 0.001 0.000 0.231 424 S C 1.673 176.282 174.600 0.015 0.000 1.022 424 S CA 1.461 59.672 58.200 0.018 0.000 0.983 424 S CB -0.385 62.830 63.200 0.024 0.000 0.803 424 S HN 0.615 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 0.214 4.534 4.320 0.001 0.000 0.197 425 K C 1.029 177.635 176.600 0.009 0.000 1.041 425 K CA 0.552 56.846 56.287 0.012 0.000 0.970 425 K CB -0.213 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 4.565 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 -0.199 54.644 54.840 0.006 0.000 0.962 426 L CB 0.029 42.092 42.059 0.006 0.000 1.258 426 L HN 0.014 nan 8.230 nan 0.000 0.513 427 A N 0.230 123.054 122.820 0.007 0.000 2.032 427 A HA -0.207 4.113 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 1.777 53.818 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 -1.302 119.100 120.400 0.004 0.000 2.349 428 D HA 0.146 4.787 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 2.002 123.227 121.223 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 0.661 55.502 54.840 0.002 0.000 0.893 429 L CB 0.137 42.197 42.059 0.002 0.000 1.138 429 L HN -0.213 nan 8.230 nan 0.000 0.491 430 R N 3.185 123.686 120.500 0.001 0.000 2.808 430 R HA 0.686 5.027 4.340 0.001 0.000 0.272 430 R C -0.163 176.137 176.300 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 31.790 30.300 0.001 0.000 1.217 430 R HN 0.807 nan 8.270 nan 0.000 0.471 431 G N -0.294 108.507 108.800 0.001 0.000 2.990 431 G HA2 0.200 4.161 3.960 0.001 0.000 0.208 431 G HA3 0.200 4.161 3.960 0.001 0.000 0.208 431 G C 0.070 174.971 174.900 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 -0.470 119.331 119.800 0.001 0.000 2.389 432 Q HA 0.125 4.466 4.340 0.001 0.000 0.204 432 Q C 0.007 176.008 176.000 0.001 0.000 0.944 432 Q CA 0.780 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 -3.179 115.521 118.700 0.001 0.000 3.106 433 N HA 0.186 4.927 4.740 0.001 0.000 0.253 433 N C 0.248 175.759 175.510 0.002 0.000 1.506 433 N CA 0.111 53.162 53.050 0.002 0.000 0.876 433 N CB 0.132 38.620 38.487 0.002 0.000 1.452 433 N HN -0.169 nan 8.380 nan 0.000 0.542 434 E N -0.228 119.973 120.200 0.002 0.000 2.085 434 E HA -0.206 4.145 4.350 0.001 0.000 0.194 434 E C 0.926 177.528 176.600 0.002 0.000 0.994 434 E CA 2.078 58.479 56.400 0.002 0.000 0.801 434 E CB -1.153 28.548 29.700 0.002 0.000 0.743 434 E HN 0.661 nan 8.360 nan 0.000 0.453 435 D N 0.047 120.448 120.400 0.003 0.000 2.144 435 D HA -0.131 4.510 4.640 0.001 0.000 0.199 435 D C 2.156 178.458 176.300 0.003 0.000 0.984 435 D CA 1.323 55.325 54.000 0.003 0.000 0.834 435 D CB -0.282 40.521 40.800 0.004 0.000 0.955 435 D HN 0.589 nan 8.370 nan 0.000 0.465 436 Q N 0.080 119.882 119.800 0.003 0.000 2.119 436 Q HA -0.085 4.256 4.340 0.001 0.000 0.201 436 Q C 1.787 177.788 176.000 0.002 0.000 0.972 436 Q CA 0.680 56.485 55.803 0.003 0.000 0.847 436 Q CB 0.026 28.765 28.738 0.002 0.000 0.903 436 Q HN 0.245 nan 8.270 nan 0.000 0.433 437 N N 0.078 118.779 118.700 0.002 0.000 2.166 437 N HA -0.118 4.622 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 53.969 53.050 0.002 0.000 0.856 437 N CB -0.273 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 0.942 120.858 119.914 0.003 0.000 2.343 438 V HA -0.152 3.969 4.120 0.001 0.000 0.247 438 V C 2.442 178.539 176.094 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 -0.081 108.722 108.800 0.004 0.000 2.446 439 G HA2 -0.242 3.719 3.960 0.001 0.000 0.217 439 G HA3 -0.242 3.719 3.960 0.001 0.000 0.217 439 G C 1.581 176.484 174.900 0.004 0.000 1.168 439 G CA 1.124 46.227 45.100 0.004 0.000 0.771 439 G HN 0.487 nan 8.290 nan 0.000 0.551 440 I N 0.373 120.945 120.570 0.003 0.000 2.163 440 I HA -0.169 4.001 4.170 0.001 0.000 0.243 440 I C 2.701 178.820 176.117 0.004 0.000 1.085 440 I CA 1.117 62.419 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 0.436 120.839 120.400 0.004 0.000 2.148 441 K HA -0.056 4.265 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 57.233 56.287 0.004 0.000 0.942 441 K CB -0.703 31.799 32.500 0.004 0.000 0.724 441 K HN 0.212 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 -0.264 3.857 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 2.080 64.384 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 0.296 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 4.228 4.320 0.001 0.000 0.216 443 A C 2.167 179.755 177.584 0.006 0.000 1.181 443 A CA 1.554 53.595 52.037 0.006 0.000 0.620 443 A CB -0.484 18.518 19.000 0.003 0.000 0.819 443 A HN 0.505 nan 8.150 nan 0.000 0.442 444 L N -1.267 119.959 121.223 0.006 0.000 2.131 444 L HA -0.139 4.202 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 1.512 56.356 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 4.232 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 0.543 123.368 122.820 0.008 0.000 2.019 446 A HA -0.153 4.168 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 1.224 53.267 52.037 0.009 0.000 0.644 446 A CB -0.376 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 4.339 4.480 0.001 0.000 0.261 447 M C 1.441 177.749 176.300 0.013 0.000 1.069 447 M CA 1.170 56.477 55.300 0.012 0.000 1.081 447 M CB -0.243 32.364 32.600 0.012 0.000 1.412 447 M HN 0.483 nan 8.290 nan 0.000 0.482 448 E N -0.075 120.132 120.200 0.011 0.000 2.400 448 E HA 0.051 4.402 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 0.419 56.825 56.400 0.010 0.000 0.875 448 E CB 0.087 29.792 29.700 0.009 0.000 0.859 448 E HN 0.474 nan 8.360 nan 0.000 0.498 449 A N 2.411 125.236 122.820 0.007 0.000 1.917 449 A HA -0.145 4.175 4.320 0.001 0.000 0.219 449 A C -0.339 177.248 177.584 0.006 0.000 1.182 449 A CA 1.354 53.395 52.037 0.006 0.000 0.633 449 A CB -1.374 17.631 19.000 0.007 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 -0.750 120.479 121.223 0.009 0.000 2.042 451 L HA -0.198 4.142 4.340 0.001 0.000 0.210 451 L C 2.435 179.301 176.870 -0.007 0.000 1.076 451 L CA 1.763 56.608 54.840 0.008 0.000 0.749 451 L CB -0.309 41.756 42.059 0.009 0.000 0.893 451 L HN -0.189 nan 8.230 nan 0.000 0.432 452 R N -0.761 119.732 120.500 -0.011 0.000 2.081 452 R HA -0.229 4.112 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 1.753 57.840 56.100 -0.021 0.000 0.960 452 R CB -0.382 29.910 30.300 -0.014 0.000 0.856 452 R HN 0.381 nan 8.270 nan 0.000 0.436 453 Q N 0.991 120.788 119.800 -0.005 0.000 2.119 453 Q HA -0.060 4.281 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 1.435 57.237 55.803 -0.001 0.000 0.847 453 Q CB -0.091 28.648 28.738 0.002 0.000 0.903 453 Q HN 0.354 nan 8.270 nan 0.000 0.433 454 I N -0.822 119.753 120.570 0.009 0.000 2.226 454 I HA -0.261 3.909 4.170 0.001 0.000 0.245 454 I C 1.954 178.091 176.117 0.032 0.000 1.100 454 I CA 0.867 62.180 61.300 0.022 0.000 1.374 454 I CB -0.221 37.798 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 3.847 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 1.568 63.858 62.300 -0.017 0.000 1.024 455 V CB -0.526 31.216 31.823 -0.134 0.000 0.651 455 V HN 0.342 nan 8.190 nan 0.000 0.449 456 L N 0.971 122.184 121.223 -0.016 0.000 2.042 456 L HA -0.183 4.158 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 56.826 54.840 -0.010 0.000 0.749 456 L CB -0.873 41.181 42.059 -0.009 0.000 0.893 456 L HN 0.343 nan 8.230 nan 0.000 0.432 457 N N -1.281 117.423 118.700 0.007 0.000 2.309 457 N HA -0.152 4.589 4.740 0.001 0.000 0.182 457 N C 1.802 177.321 175.510 0.015 0.000 1.018 457 N CA 1.531 54.586 53.050 0.009 0.000 0.876 457 N CB -0.745 37.747 38.487 0.008 0.000 0.972 457 N HN 0.430 nan 8.380 nan 0.000 0.434 458 C N -0.498 118.819 119.300 0.028 0.000 2.448 458 C HA 0.157 4.618 4.460 0.001 0.000 0.280 458 C C 1.743 176.752 174.990 0.030 0.000 1.398 458 C CA 0.698 59.740 59.018 0.041 0.000 1.774 458 C CB -1.157 26.639 27.740 0.093 0.000 1.888 458 C HN 0.651 nan 8.230 nan 0.000 0.519 459 G N 0.430 109.241 108.800 0.018 0.000 2.131 459 G HA2 -0.141 3.820 3.960 0.001 0.000 0.223 459 G HA3 -0.141 3.820 3.960 0.001 0.000 0.223 459 G C -0.230 174.676 174.900 0.010 0.000 0.990 459 G CA 0.103 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 0.184 120.386 120.200 0.003 0.000 2.284 460 E HA 0.482 4.833 4.350 0.001 0.000 0.255 460 E C 0.155 176.731 176.600 -0.041 0.000 1.052 460 E CA -0.709 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 1.449 121.617 120.200 -0.053 0.000 2.089 461 E HA 0.144 4.494 4.350 0.001 0.000 0.284 461 E C -1.767 174.788 176.600 -0.075 0.000 1.023 461 E CA -1.614 54.758 56.400 -0.048 0.000 0.819 461 E CB 1.049 30.732 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 1.169 64.231 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 -1.081 114.600 115.700 -0.032 0.000 2.383 463 S HA -0.094 4.377 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 1.001 59.189 58.200 -0.019 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 1.239 121.139 119.914 -0.023 0.000 2.244 464 V HA -0.126 3.995 4.120 0.001 0.000 0.244 464 V C 2.314 178.408 176.094 0.000 0.000 1.042 464 V CA 1.503 63.797 62.300 -0.009 0.000 1.006 464 V CB -0.747 31.072 31.823 -0.007 0.000 0.641 464 V HN 0.331 nan 8.190 nan 0.000 0.446 465 V N 0.434 120.316 119.914 -0.054 0.000 2.332 465 V HA -0.274 3.846 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 2.060 64.318 62.300 -0.070 0.000 1.038 465 V CB -1.252 30.316 31.823 -0.424 0.000 0.651 465 V HN 0.559 nan 8.190 nan 0.000 0.450 466 A N 0.424 123.230 122.820 -0.023 0.000 1.908 466 A HA -0.315 4.006 4.320 0.001 0.000 0.218 466 A C 2.079 179.684 177.584 0.036 0.000 1.181 466 A CA 2.453 54.495 52.037 0.008 0.000 0.627 466 A CB -0.901 18.096 19.000 -0.004 0.000 0.818 466 A HN 0.634 nan 8.150 nan 0.000 0.445 467 N N -0.770 117.946 118.700 0.027 0.000 2.120 467 N HA -0.126 4.615 4.740 0.001 0.000 0.188 467 N C 1.688 177.226 175.510 0.046 0.000 1.024 467 N CA 2.325 55.392 53.050 0.028 0.000 0.852 467 N CB -0.337 38.158 38.487 0.013 0.000 1.003 467 N HN 0.402 nan 8.380 nan 0.000 0.424 468 T N -0.487 114.102 114.554 0.058 0.000 2.708 468 T HA -0.076 4.275 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 63.445 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 1.658 121.705 119.914 0.222 0.000 2.343 469 V HA -0.170 3.950 4.120 0.001 0.000 0.247 469 V C 2.471 178.694 176.094 0.215 0.000 1.051 469 V CA 1.528 63.972 62.300 0.241 0.000 1.036 469 V CB -0.502 31.401 31.823 0.134 0.000 0.654 469 V HN 0.463 nan 8.190 nan 0.000 0.451 470 K N 0.214 120.690 120.400 0.128 0.000 2.209 470 K HA -0.097 4.224 4.320 0.001 0.000 0.204 470 K C 2.209 178.859 176.600 0.083 0.000 1.048 470 K CA 1.267 57.608 56.287 0.091 0.000 0.940 470 K CB -0.522 32.011 32.500 0.055 0.000 0.729 470 K HN 0.581 nan 8.250 nan 0.000 0.451 471 G N 1.211 110.061 108.800 0.084 0.000 2.408 471 G HA2 -0.134 3.826 3.960 0.001 0.000 0.217 471 G HA3 -0.134 3.826 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 0.853 45.975 45.100 0.036 0.000 0.776 471 G HN 0.388 nan 8.290 nan 0.000 0.542 472 G N -0.108 108.737 108.800 0.075 0.000 2.582 472 G HA2 0.484 4.444 3.960 0.001 0.000 0.232 472 G HA3 0.484 4.444 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 45.466 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 5.149 4.640 0.001 0.000 0.303 473 D C 0.602 176.970 176.300 0.114 0.000 1.278 473 D CA 0.471 54.523 54.000 0.087 0.000 0.852 473 D CB 0.391 41.211 40.800 0.033 0.000 1.375 473 D HN 1.603 nan 8.370 nan 0.000 0.453 474 G N 0.360 109.209 108.800 0.083 0.000 2.596 474 G HA2 -0.370 3.591 3.960 0.001 0.000 0.295 474 G HA3 -0.370 3.591 3.960 0.001 0.000 0.295 474 G C 0.338 175.302 174.900 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 4.919 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 38.640 38.487 0.073 0.000 0.992 475 N HN 0.473 nan 8.380 nan 0.000 0.460 476 Y N 1.588 121.923 120.300 0.058 0.000 2.544 476 Y HA 0.311 4.862 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 0.042 58.193 58.100 0.086 0.000 1.417 476 Y CB 0.083 38.590 38.460 0.077 0.000 1.229 476 Y HN -0.010 nan 8.280 nan 0.000 0.532 477 G N 4.204 112.795 108.800 -0.350 0.000 2.663 477 G HA2 0.272 4.233 3.960 0.001 0.000 0.299 477 G HA3 0.272 4.233 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 0.516 nan 8.290 nan 0.000 0.491 478 Y N 1.612 121.727 120.300 -0.308 0.000 2.335 478 Y HA 0.530 5.080 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 56.515 58.100 -0.452 0.000 1.140 478 Y CB 1.332 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 4.876 123.166 118.700 -0.684 0.000 2.439 479 N HA 0.144 4.885 4.740 0.001 0.000 0.243 479 N C 0.427 175.492 175.510 -0.742 0.000 1.088 479 N CA 0.539 53.282 53.050 -0.511 0.000 0.940 479 N CB 1.328 39.601 38.487 -0.355 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 0.006 4.327 4.320 0.001 0.000 0.219 480 A C 1.969 179.428 177.584 -0.208 0.000 1.158 480 A CA 1.459 53.321 52.037 -0.292 0.000 0.661 480 A CB -0.276 18.702 19.000 -0.035 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 -0.000 4.320 4.320 0.001 0.000 0.215 481 A C 2.300 179.802 177.584 -0.138 0.000 1.176 481 A CA 2.129 54.090 52.037 -0.127 0.000 0.632 481 A CB -0.774 18.167 19.000 -0.099 0.000 0.819 481 A HN 0.723 nan 8.150 nan 0.000 0.445 482 T N -3.880 110.558 114.554 -0.195 0.000 3.022 482 T HA 0.191 4.542 4.350 0.001 0.000 0.250 482 T C 0.207 174.784 174.700 -0.206 0.000 1.060 482 T CA 0.651 62.653 62.100 -0.164 0.000 1.013 482 T CB -0.176 68.606 68.868 -0.143 0.000 0.982 482 T HN 0.517 nan 8.240 nan 0.000 0.508 483 E N 1.252 121.226 120.200 -0.377 0.000 2.416 483 E HA -0.124 4.227 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 -0.077 0.000 1.286 483 E HN 0.660 nan 8.360 nan 0.000 0.394 484 E N -0.226 119.676 120.200 -0.497 0.000 2.317 484 E HA 0.409 4.760 4.350 0.001 0.000 0.270 484 E C -0.425 175.987 176.600 -0.313 0.000 0.885 484 E CA -0.750 55.515 56.400 -0.224 0.000 0.760 484 E CB 1.027 30.668 29.700 -0.099 0.000 1.227 484 E HN 0.036 nan 8.360 nan 0.000 0.434 485 Y N 0.112 120.405 120.300 -0.011 0.000 2.326 485 Y HA 0.593 5.143 4.550 0.001 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 1.501 39.982 38.460 0.036 0.000 1.294 485 Y HN 0.674 nan 8.280 nan 0.000 0.525 486 G N 0.567 109.414 108.800 0.079 0.000 2.317 486 G HA2 -0.011 3.950 3.960 0.001 0.000 0.293 486 G HA3 -0.011 3.950 3.960 0.001 0.000 0.293 486 G C -1.903 173.065 174.900 0.113 0.000 1.287 486 G CA -1.192 43.995 45.100 0.145 0.000 0.850 486 G HN 0.524 nan 8.290 nan 0.000 0.515 487 N N 1.080 119.850 118.700 0.117 0.000 2.401 487 N HA 0.131 4.872 4.740 0.001 0.000 0.255 487 N C 1.715 177.249 175.510 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 39.364 38.487 0.089 0.000 1.110 487 N HN 0.369 nan 8.380 nan 0.000 0.490 488 M N 3.400 123.014 119.600 0.023 0.000 2.149 488 M HA -0.170 4.310 4.480 0.001 0.000 0.261 488 M C 1.586 177.888 176.300 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 0.476 121.057 120.570 0.018 0.000 2.202 489 I HA -0.238 3.933 4.170 0.001 0.000 0.242 489 I C 1.887 178.011 176.117 0.012 0.000 1.091 489 I CA 1.359 62.668 61.300 0.015 0.000 1.368 489 I CB -1.621 36.391 38.000 0.021 0.000 1.058 489 I HN 0.235 nan 8.210 nan 0.000 0.410 490 D N 0.570 120.980 120.400 0.018 0.000 2.178 490 D HA -0.136 4.505 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 40.695 40.800 0.024 0.000 0.948 490 D HN 0.350 nan 8.370 nan 0.000 0.472 491 M N -0.649 118.950 119.600 -0.002 0.000 2.618 491 M HA 0.151 4.632 4.480 0.001 0.000 0.240 491 M C 0.879 177.167 176.300 -0.020 0.000 1.123 491 M CA 0.376 55.666 55.300 -0.017 0.000 1.060 491 M CB 0.512 33.090 32.600 -0.036 0.000 1.535 491 M HN 0.009 nan 8.290 nan 0.000 0.507 492 G N 2.456 111.249 108.800 -0.011 0.000 2.225 492 G HA2 -0.238 3.722 3.960 0.001 0.000 0.264 492 G HA3 -0.238 3.722 3.960 0.001 0.000 0.264 492 G C -0.172 174.719 174.900 -0.015 0.000 1.060 492 G CA -0.208 44.886 45.100 -0.010 0.000 0.833 492 G HN 0.539 nan 8.290 nan 0.000 0.498 493 I N 0.717 121.277 120.570 -0.017 0.000 2.412 493 I HA 0.472 4.642 4.170 0.001 0.000 0.279 493 I C 0.387 176.499 176.117 -0.008 0.000 1.063 493 I CA -0.586 60.702 61.300 -0.020 0.000 1.193 493 I CB 0.637 38.616 38.000 -0.035 0.000 1.370 493 I HN 0.025 nan 8.210 nan 0.000 0.479 494 L N 4.598 125.819 121.223 -0.002 0.000 2.354 494 L HA 0.690 5.031 4.340 0.001 0.000 0.264 494 L C -1.043 175.832 176.870 0.008 0.000 1.008 494 L CA -0.936 53.906 54.840 0.005 0.000 0.819 494 L CB 2.140 44.203 42.059 0.007 0.000 1.339 494 L HN 0.293 nan 8.230 nan 0.000 0.420 495 D N 0.971 121.378 120.400 0.012 0.000 2.646 495 D HA 0.400 5.041 4.640 0.001 0.000 0.245 495 D C -2.632 173.680 176.300 0.020 0.000 1.099 495 D CA -1.466 52.544 54.000 0.017 0.000 0.849 495 D CB 2.445 43.255 40.800 0.018 0.000 1.448 495 D HN 0.129 nan 8.370 nan 0.000 0.489 496 P HA 0.096 nan 4.420 nan 0.000 0.271 496 P C 0.811 178.126 177.300 0.025 0.000 1.220 496 P CA -0.035 63.080 63.100 0.025 0.000 0.768 496 P CB 0.675 32.396 31.700 0.034 0.000 0.848 497 T N 2.431 116.997 114.554 0.020 0.000 2.778 497 T HA -0.228 4.123 4.350 0.001 0.000 0.269 497 T C 1.604 176.317 174.700 0.022 0.000 1.050 497 T CA 1.353 63.464 62.100 0.018 0.000 1.137 497 T CB -0.277 68.599 68.868 0.013 0.000 0.860 497 T HN 0.499 nan 8.240 nan 0.000 0.468 498 K N 0.778 121.193 120.400 0.025 0.000 2.057 498 K HA -0.086 4.235 4.320 0.001 0.000 0.207 498 K C 2.430 179.060 176.600 0.051 0.000 1.049 498 K CA 1.419 57.726 56.287 0.033 0.000 0.931 498 K CB -0.318 32.201 32.500 0.033 0.000 0.714 498 K HN 0.331 nan 8.250 nan 0.000 0.440 499 V N 0.074 120.022 119.914 0.056 0.000 2.548 499 V HA -0.127 3.994 4.120 0.001 0.000 0.249 499 V C 1.643 177.770 176.094 0.055 0.000 1.055 499 V CA 2.238 64.578 62.300 0.067 0.000 1.065 499 V CB -0.395 31.467 31.823 0.065 0.000 0.681 499 V HN 0.319 nan 8.190 nan 0.000 0.462 500 T N 0.516 115.093 114.554 0.039 0.000 2.777 500 T HA -0.126 4.225 4.350 0.001 0.000 0.266 500 T C 1.954 176.670 174.700 0.027 0.000 1.040 500 T CA 1.953 64.071 62.100 0.031 0.000 1.141 500 T CB -0.349 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 0.974 121.486 120.500 0.020 0.000 2.073 501 R HA -0.088 4.253 4.340 0.001 0.000 0.234 501 R C 2.524 178.820 176.300 -0.007 0.000 1.134 501 R CA 1.750 57.851 56.100 0.001 0.000 0.952 501 R CB -0.342 29.955 30.300 -0.005 0.000 0.850 501 R HN 0.242 nan 8.270 nan 0.000 0.433 502 S N 0.541 116.260 115.700 0.032 0.000 2.368 502 S HA -0.115 4.356 4.470 0.001 0.000 0.225 502 S C 2.014 176.702 174.600 0.148 0.000 1.030 502 S CA 1.116 59.365 58.200 0.082 0.000 0.999 502 S CB -0.228 63.092 63.200 0.200 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 0.118 0.000 1.902 503 A HA -0.071 4.250 4.320 0.001 0.000 0.217 503 A C 2.142 179.774 177.584 0.080 0.000 1.181 503 A CA 1.468 53.572 52.037 0.112 0.000 0.623 503 A CB -0.730 18.311 19.000 0.069 0.000 0.818 503 A HN 0.413 nan 8.150 nan 0.000 0.443 504 L N -0.244 121.000 121.223 0.035 0.000 2.027 504 L HA -0.175 4.166 4.340 0.001 0.000 0.206 504 L C 2.511 179.369 176.870 -0.020 0.000 1.074 504 L CA 2.311 57.157 54.840 0.010 0.000 0.745 504 L CB -0.731 41.327 42.059 -0.002 0.000 0.898 504 L HN 0.506 nan 8.230 nan 0.000 0.433 505 Q N -1.811 117.939 119.800 -0.084 0.000 2.079 505 Q HA -0.218 4.123 4.340 0.001 0.000 0.200 505 Q C 2.156 178.037 176.000 -0.199 0.000 0.974 505 Q CA 1.967 57.661 55.803 -0.181 0.000 0.840 505 Q CB -0.312 28.243 28.738 -0.305 0.000 0.898 505 Q HN 0.511 nan 8.270 nan 0.000 0.430 506 Y N 0.223 120.527 120.300 0.007 0.000 2.242 506 Y HA -0.143 4.407 4.550 0.001 0.000 0.291 506 Y C 2.366 178.269 175.900 0.005 0.000 1.137 506 Y CA 0.862 58.965 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 0.107 123.011 122.820 0.139 0.000 1.877 507 A HA -0.163 4.158 4.320 0.001 0.000 0.216 507 A C 2.482 180.098 177.584 0.053 0.000 1.186 507 A CA 2.098 54.185 52.037 0.083 0.000 0.620 507 A CB -1.288 17.747 19.000 0.057 0.000 0.822 507 A HN 0.384 nan 8.150 nan 0.000 0.443 508 A N -0.849 121.988 122.820 0.029 0.000 1.933 508 A HA -0.088 4.233 4.320 0.001 0.000 0.218 508 A C 2.482 180.075 177.584 0.016 0.000 1.175 508 A CA 2.200 54.245 52.037 0.012 0.000 0.628 508 A CB -0.958 18.038 19.000 -0.007 0.000 0.814 508 A HN 0.629 nan 8.150 nan 0.000 0.444 509 S N -0.505 115.206 115.700 0.019 0.000 2.353 509 S HA -0.141 4.330 4.470 0.001 0.000 0.222 509 S C 1.894 176.524 174.600 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 62.715 63.200 0.045 0.000 0.902 509 S HN 0.309 nan 8.310 nan 0.000 0.440 510 V N 2.125 122.081 119.914 0.069 0.000 2.453 510 V HA -0.014 4.107 4.120 0.001 0.000 0.247 510 V C 2.890 179.006 176.094 0.038 0.000 1.048 510 V CA 1.516 63.849 62.300 0.055 0.000 1.049 510 V CB -1.356 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 4.239 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 1.871 53.923 52.037 0.025 0.000 0.623 511 A CB -1.189 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 -0.196 108.617 108.800 0.020 0.000 2.442 512 G HA2 -0.168 3.793 3.960 0.001 0.000 0.219 512 G HA3 -0.168 3.793 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 -0.309 120.927 121.223 0.022 0.000 2.027 513 L HA 0.001 4.342 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 0.942 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 4.275 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 -0.362 32.251 32.600 0.021 0.000 1.374 514 M HN 0.213 nan 8.290 nan 0.000 0.411 515 I N 0.112 120.692 120.570 0.018 0.000 2.454 515 I HA -0.211 3.960 4.170 0.001 0.000 0.254 515 I C 1.746 177.873 176.117 0.017 0.000 1.156 515 I CA 1.416 62.725 61.300 0.016 0.000 1.433 515 I CB -0.380 37.629 38.000 0.014 0.000 1.082 515 I HN 0.391 nan 8.210 nan 0.000 0.432 516 T N -3.335 111.230 114.554 0.018 0.000 3.214 516 T HA 0.167 4.517 4.350 0.001 0.000 0.264 516 T C 0.481 175.194 174.700 0.022 0.000 1.012 516 T CA -0.309 61.802 62.100 0.020 0.000 0.901 516 T CB -0.359 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 2.286 116.853 114.554 0.022 0.000 2.771 517 T HA 0.313 4.664 4.350 0.001 0.000 0.291 517 T C 0.620 175.336 174.700 0.027 0.000 0.954 517 T CA -0.518 61.594 62.100 0.021 0.000 1.045 517 T CB 1.568 70.447 68.868 0.017 0.000 0.917 517 T HN 0.105 nan 8.240 nan 0.000 0.484 518 E N 0.598 120.818 120.200 0.034 0.000 2.413 518 E HA 0.162 4.513 4.350 0.001 0.000 0.203 518 E C 0.218 176.847 176.600 0.048 0.000 0.957 518 E CA 0.157 56.597 56.400 0.065 0.000 0.950 518 E CB 0.691 30.452 29.700 0.101 0.000 0.957 518 E HN 0.576 nan 8.360 nan 0.000 0.497 519 C N 0.472 119.749 119.300 -0.039 0.000 2.985 519 C HA 0.686 5.147 4.460 0.001 0.000 0.314 519 C C -1.354 173.546 174.990 -0.150 0.000 1.215 519 C CA -0.629 58.255 59.018 -0.224 0.000 1.414 519 C CB 0.554 28.100 27.740 -0.323 0.000 1.842 519 C HN 0.117 nan 8.230 nan 0.000 0.477 520 M N 4.868 124.375 119.600 -0.155 0.000 2.327 520 M HA 0.602 5.083 4.480 0.001 0.000 0.298 520 M C -1.116 175.238 176.300 0.091 0.000 1.065 520 M CA -0.555 54.767 55.300 0.036 0.000 0.916 520 M CB 2.116 34.854 32.600 0.231 0.000 1.630 520 M HN 0.403 nan 8.290 nan 0.000 0.442 521 V N 1.210 121.140 119.914 0.026 0.000 2.540 521 V HA 0.819 4.940 4.120 0.001 0.000 0.302 521 V C -0.314 175.717 176.094 -0.105 0.000 1.035 521 V CA -0.431 61.864 62.300 -0.009 0.000 0.873 521 V CB 2.013 33.814 31.823 -0.037 0.000 0.992 521 V HN 0.949 nan 8.190 nan 0.000 0.428 522 T N 1.623 116.069 114.554 -0.180 0.000 2.821 522 T HA 0.370 4.721 4.350 0.001 0.000 0.306 522 T C -1.514 173.070 174.700 -0.195 0.000 1.313 522 T CA -0.564 61.367 62.100 -0.282 0.000 1.012 522 T CB 1.892 70.402 68.868 -0.596 0.000 1.298 522 T HN 0.650 nan 8.240 nan 0.000 0.502 523 D N 1.781 122.083 120.400 -0.162 0.000 2.399 523 D HA 0.284 4.924 4.640 0.001 0.000 0.241 523 D C 0.044 176.288 176.300 -0.094 0.000 1.133 523 D CA -0.104 53.836 54.000 -0.100 0.000 0.890 523 D CB 0.444 41.196 40.800 -0.081 0.000 1.201 523 D HN 0.278 nan 8.370 nan 0.000 0.432 524 L N 4.312 125.510 121.223 -0.042 0.000 2.453 524 L HA 0.164 4.505 4.340 0.001 0.000 0.272 524 L C -1.739 175.117 176.870 -0.023 0.000 1.182 524 L CA -1.280 53.552 54.840 -0.014 0.000 0.858 524 L CB 0.153 42.216 42.059 0.006 0.000 1.120 524 L HN 0.280 nan 8.230 nan 0.000 0.474 525 P HA 0.050 nan 4.420 nan 0.000 0.252 525 P C -0.954 176.342 177.300 -0.007 0.000 1.635 525 P CA 0.348 63.439 63.100 -0.014 0.000 1.206 525 P CB -0.042 31.660 31.700 0.003 0.000 1.911 526 K N 0.000 120.392 120.400 -0.013 0.000 2.780 526 K HA 0.000 4.321 4.320 0.001 0.000 0.191 526 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 526 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543