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_H DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG 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 52.031 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 1.126 123.945 122.820 -0.002 0.000 2.520 3 A HA 0.525 4.846 4.320 0.001 0.000 0.235 3 A C 0.196 177.781 177.584 0.002 0.000 1.065 3 A CA 0.458 52.498 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 1.071 121.510 120.400 0.064 0.000 2.256 5 D HA 0.363 5.003 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 4.417 124.443 119.914 0.185 0.000 2.444 6 V HA 0.429 4.550 4.120 0.001 0.000 0.294 6 V C 0.051 176.091 176.094 -0.090 0.000 1.022 6 V CA -0.776 61.550 62.300 0.044 0.000 0.850 6 V CB 1.778 33.586 31.823 -0.026 0.000 0.992 6 V HN 0.381 nan 8.190 nan 0.000 0.426 7 K N 3.902 124.141 120.400 -0.267 0.000 2.318 7 K HA 0.762 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 57.881 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 1.639 110.546 108.800 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 0.996 46.147 45.100 0.085 0.000 0.980 9 G HN 0.704 nan 8.290 nan 0.000 0.540 10 N N 0.939 119.651 118.700 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 0.542 120.923 120.400 -0.032 0.000 2.104 11 D HA -0.112 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 1.278 55.226 54.000 -0.086 0.000 0.830 11 D CB -0.421 40.320 40.800 -0.099 0.000 0.959 11 D HN 0.310 nan 8.370 nan 0.000 0.452 12 A N 0.629 123.370 122.820 -0.132 0.000 1.898 12 A HA 0.027 4.348 4.320 0.001 0.000 0.216 12 A C 2.398 179.951 177.584 -0.053 0.000 1.181 12 A CA 2.011 53.966 52.037 -0.138 0.000 0.620 12 A CB -1.100 17.842 19.000 -0.096 0.000 0.819 12 A HN 0.298 nan 8.150 nan 0.000 0.442 13 G N 0.054 108.837 108.800 -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 47.268 45.100 -0.007 0.000 0.767 13 G HN 1.050 nan 8.290 nan 0.000 0.552 14 V N -1.304 118.599 119.914 -0.018 0.000 2.427 14 V HA -0.031 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 2.045 64.339 62.300 -0.011 0.000 1.048 14 V CB -0.465 31.348 31.823 -0.018 0.000 0.666 14 V HN 0.087 nan 8.190 nan 0.000 0.456 15 K N 0.189 120.582 120.400 -0.011 0.000 2.002 15 K HA -0.031 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 2.170 58.473 56.287 0.027 0.000 0.930 15 K CB -0.663 31.860 32.500 0.037 0.000 0.714 15 K HN 0.510 nan 8.250 nan 0.000 0.438 16 M N 0.396 120.023 119.600 0.046 0.000 2.080 16 M HA -0.210 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 56.598 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 -0.057 4.284 4.340 0.001 0.000 0.235 18 R C 2.182 178.493 176.300 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 -0.050 108.765 108.800 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 1.146 46.259 45.100 0.022 0.000 0.771 19 G HN 0.373 nan 8.290 nan 0.000 0.545 20 V N -0.009 119.914 119.914 0.015 0.000 2.515 20 V HA -0.102 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 0.982 119.688 118.700 0.009 0.000 2.120 21 N HA -0.101 4.639 4.740 0.001 0.000 0.188 21 N C 1.832 177.345 175.510 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 1.536 121.453 119.914 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 1.166 63.468 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 0.806 122.029 121.223 0.000 0.000 1.994 23 L HA -0.100 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 2.456 57.294 54.840 -0.003 0.000 0.745 23 L CB -0.777 41.280 42.059 -0.003 0.000 0.892 23 L HN 0.203 nan 8.230 nan 0.000 0.431 24 A N -0.766 122.055 122.820 0.001 0.000 1.933 24 A HA -0.206 4.114 4.320 0.001 0.000 0.218 24 A C 1.964 179.548 177.584 0.001 0.000 1.175 24 A CA 1.845 53.883 52.037 0.002 0.000 0.628 24 A CB -0.850 18.153 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 -0.012 4.629 4.640 0.001 0.000 0.200 25 D C 2.171 178.470 176.300 -0.002 0.000 0.978 25 D CA 1.413 55.413 54.000 -0.000 0.000 0.833 25 D CB -0.361 40.439 40.800 0.000 0.000 0.961 25 D HN 0.431 nan 8.370 nan 0.000 0.470 26 A N 0.400 123.218 122.820 -0.003 0.000 1.929 26 A HA -0.082 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 0.935 52.968 52.037 -0.005 0.000 0.628 26 A CB -0.516 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 -0.236 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 64.446 62.300 -0.006 0.000 1.025 27 V CB -0.702 31.117 31.823 -0.006 0.000 0.656 27 V HN 0.834 nan 8.190 nan 0.000 0.451 28 K N 1.602 122.001 120.400 -0.002 0.000 2.360 28 K HA -0.120 4.201 4.320 0.001 0.000 0.201 28 K C 1.833 178.433 176.600 -0.001 0.000 1.046 28 K CA 1.776 58.062 56.287 -0.000 0.000 0.945 28 K CB -0.700 31.801 32.500 0.001 0.000 0.750 28 K HN 0.504 nan 8.250 nan 0.000 0.464 29 V N 0.085 119.998 119.914 -0.002 0.000 3.078 29 V HA -0.108 4.013 4.120 0.001 0.000 0.265 29 V C 1.981 178.073 176.094 -0.002 0.000 1.122 29 V CA 1.675 63.974 62.300 -0.002 0.000 1.141 29 V CB -0.985 30.837 31.823 -0.002 0.000 0.735 29 V HN 0.534 nan 8.190 nan 0.000 0.498 30 T N -2.186 112.366 114.554 -0.003 0.000 3.107 30 T HA 0.292 4.643 4.350 0.001 0.000 0.249 30 T C 0.492 175.190 174.700 -0.004 0.000 1.096 30 T CA -0.110 61.987 62.100 -0.005 0.000 1.012 30 T CB -0.182 68.682 68.868 -0.007 0.000 0.977 30 T HN 0.390 nan 8.240 nan 0.000 0.527 31 L N 2.678 123.900 121.223 -0.001 0.000 2.410 31 L HA 0.545 4.886 4.340 0.001 0.000 0.273 31 L C 0.817 177.687 176.870 0.001 0.000 1.152 31 L CA 1.548 56.388 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 4.384 113.184 108.800 -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 1.437 64.525 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 0.194 120.590 120.400 -0.008 0.000 2.570 34 K HA 0.249 4.569 4.320 0.001 0.000 0.210 34 K C 1.033 177.633 176.600 -0.001 0.000 1.048 34 K CA -0.218 56.067 56.287 -0.003 0.000 1.167 34 K CB 0.089 32.593 32.500 0.005 0.000 0.892 34 K HN 0.064 nan 8.250 nan 0.000 0.480 35 G N 1.652 110.450 108.800 -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 0.185 175.084 174.900 -0.003 0.000 1.293 35 G CA -0.305 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 1.130 121.629 120.500 -0.002 0.000 2.543 36 R HA 0.190 4.531 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 0.472 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 -0.822 117.875 118.700 -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 1.838 121.748 119.914 -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 -0.815 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 0.470 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 1.342 33.160 31.823 -0.008 0.000 0.984 39 V HN 0.626 nan 8.190 nan 0.000 0.451 40 L N 3.810 125.025 121.223 -0.013 0.000 2.305 40 L HA 0.520 4.860 4.340 0.001 0.000 0.284 40 L C -0.087 176.771 176.870 -0.020 0.000 1.013 40 L CA -0.598 54.232 54.840 -0.017 0.000 0.819 40 L CB 1.524 43.573 42.059 -0.017 0.000 1.227 40 L HN 0.497 nan 8.230 nan 0.000 0.417 41 D N 3.351 123.735 120.400 -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 0.955 41.732 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 0.235 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 -0.019 0.000 1.226 42 K HN 0.403 nan 8.250 nan 0.000 0.437 43 S N 0.646 116.196 115.700 -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 0.992 120.939 119.950 -0.006 0.000 2.569 44 F HA 0.695 5.223 4.527 0.002 0.000 0.312 44 F C 0.895 176.692 175.800 -0.006 0.000 1.109 44 F CA -0.320 57.677 58.000 -0.006 0.000 0.919 44 F CB 1.516 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 -1.377 176.217 177.584 0.016 0.000 1.100 46 A CA -0.216 51.834 52.037 0.023 0.000 0.803 46 A CB -0.048 18.962 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 -0.078 62.020 62.100 -0.004 0.000 1.091 48 T CB -0.059 68.806 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 4.606 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 1.786 39.783 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 -0.026 174.668 174.700 -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 1.292 121.686 120.400 -0.010 0.000 2.469 51 K HA 0.212 4.533 4.320 0.001 0.000 0.204 51 K C -0.795 175.799 176.600 -0.011 0.000 1.047 51 K CA -0.239 56.043 56.287 -0.010 0.000 1.072 51 K CB 0.577 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 2.437 111.227 108.800 -0.017 0.000 2.469 53 G HA2 -0.246 3.715 3.960 0.001 0.000 0.219 53 G HA3 -0.246 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 0.850 45.940 45.100 -0.017 0.000 0.763 53 G HN 0.487 nan 8.290 nan 0.000 0.561 54 V N 1.044 120.942 119.914 -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 64.467 62.300 -0.031 0.000 1.036 54 V CB -0.575 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 -0.124 115.561 115.700 -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 -0.020 0.000 1.030 55 S CA 1.544 59.731 58.200 -0.022 0.000 1.002 55 S CB -0.214 62.974 63.200 -0.019 0.000 0.829 55 S HN 0.404 nan 8.310 nan 0.000 0.467 56 V N 1.856 121.759 119.914 -0.019 0.000 2.323 56 V HA -0.134 3.987 4.120 0.001 0.000 0.244 56 V C 2.672 178.754 176.094 -0.019 0.000 1.041 56 V CA 1.564 63.854 62.300 -0.017 0.000 1.025 56 V CB -1.245 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 -0.577 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 -0.612 119.872 120.500 -0.025 0.000 2.159 58 R HA -0.103 4.237 4.340 0.001 0.000 0.237 58 R C 1.453 177.737 176.300 -0.026 0.000 1.131 58 R CA 1.268 57.352 56.100 -0.027 0.000 0.982 58 R CB -0.149 30.134 30.300 -0.027 0.000 0.868 58 R HN 0.512 nan 8.270 nan 0.000 0.453 59 E N 0.226 120.412 120.200 -0.024 0.000 2.385 59 E HA 0.022 4.373 4.350 0.001 0.000 0.194 59 E C 0.464 177.049 176.600 -0.023 0.000 1.013 59 E CA 0.240 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 -0.077 37.914 38.000 -0.015 0.000 1.408 60 I HN -0.043 nan 8.210 nan 0.000 0.516 61 E N 7.017 127.204 120.200 -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 3.200 124.413 121.223 -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 43.541 42.059 -0.002 0.000 1.271 62 L HN 0.741 nan 8.230 nan 0.000 0.443 63 E N 0.518 120.713 120.200 -0.009 0.000 2.046 63 E HA -0.163 4.187 4.350 0.001 0.000 0.190 63 E C 0.484 177.080 176.600 -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 -0.005 0.000 0.756 63 E HN 0.662 nan 8.360 nan 0.000 0.449 64 D N 0.693 121.101 120.400 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 0.077 54.100 54.000 0.039 0.000 0.886 64 D CB 0.954 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 3.597 123.967 120.400 -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 31.980 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 4.487 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 0.949 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 0.086 120.386 120.200 0.166 0.000 2.085 67 E HA -0.274 4.077 4.350 0.001 0.000 0.194 67 E C 1.780 178.404 176.600 0.040 0.000 0.994 67 E CA 1.426 57.877 56.400 0.086 0.000 0.801 67 E CB -0.407 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 0.620 119.328 118.700 0.013 0.000 2.223 68 N HA -0.147 4.593 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 1.168 54.210 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 -0.891 118.696 119.600 -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 1.586 56.875 55.300 -0.017 0.000 1.114 69 M CB -0.484 32.104 32.600 -0.019 0.000 1.361 69 M HN 0.317 nan 8.290 nan 0.000 0.408 70 G N -0.101 108.715 108.800 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 0.973 46.089 45.100 0.026 0.000 0.771 70 G HN 0.535 nan 8.290 nan 0.000 0.545 71 A N 0.107 122.932 122.820 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 1.942 53.979 52.037 0.000 0.000 0.620 71 A CB -0.350 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 -0.489 119.305 119.800 -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 1.528 57.321 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 -0.337 119.260 119.600 -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 1.310 56.610 55.300 0.000 0.000 1.117 73 M CB -0.550 32.054 32.600 0.008 0.000 1.334 73 M HN 0.083 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 1.789 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 -0.301 120.093 120.400 -0.011 0.000 2.209 75 K HA -0.144 4.177 4.320 0.001 0.000 0.204 75 K C 2.053 178.633 176.600 -0.034 0.000 1.048 75 K CA 1.361 57.636 56.287 -0.021 0.000 0.940 75 K CB -0.034 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 0.062 120.243 120.200 -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 -0.016 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 2.791 54.794 52.037 -0.057 0.000 0.623 78 A CB -1.000 17.977 19.000 -0.039 0.000 0.826 78 A HN 0.706 nan 8.150 nan 0.000 0.444 79 S N 0.218 115.852 115.700 -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 1.648 59.773 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 -0.671 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 1.842 124.358 122.820 -0.506 0.000 1.940 81 A HA -0.248 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 1.976 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 0.394 119.031 118.700 -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 1.851 54.851 53.050 -0.083 0.000 0.848 82 N CB -0.354 38.079 38.487 -0.090 0.000 1.021 82 N HN 0.398 nan 8.380 nan 0.000 0.422 83 D N -0.167 120.183 120.400 -0.083 0.000 2.149 83 D HA -0.104 4.537 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 1.318 55.295 54.000 -0.039 0.000 0.839 83 D CB -0.374 40.386 40.800 -0.066 0.000 0.948 83 D HN 0.444 nan 8.370 nan 0.000 0.460 84 A N 0.147 122.984 122.820 0.028 0.000 1.935 84 A HA 0.293 4.613 4.320 0.001 0.000 0.214 84 A C 2.003 179.677 177.584 0.151 0.000 1.178 84 A CA 1.633 53.739 52.037 0.116 0.000 0.640 84 A CB 0.125 19.263 19.000 0.230 0.000 0.825 84 A HN 0.233 nan 8.150 nan 0.000 0.447 85 A N -2.863 120.050 122.820 0.156 0.000 2.427 85 A HA 0.468 4.789 4.320 0.001 0.000 0.225 85 A C 1.581 179.341 177.584 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 -0.225 108.585 108.800 0.018 0.000 2.225 86 G HA2 -0.149 3.811 3.960 0.001 0.000 0.267 86 G HA3 -0.149 3.811 3.960 0.001 0.000 0.267 86 G C -0.212 174.559 174.900 -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 -2.865 117.501 120.400 -0.057 0.000 2.742 87 D HA 0.554 5.195 4.640 0.001 0.000 0.262 87 D C 0.759 177.063 176.300 0.007 0.000 1.240 87 D CA 1.254 55.239 54.000 -0.025 0.000 0.752 87 D CB 0.165 40.969 40.800 0.006 0.000 1.290 87 D HN 1.401 nan 8.370 nan 0.000 0.420 88 G N 0.538 109.342 108.800 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 0.972 175.881 174.900 0.015 0.000 1.005 88 G CA 1.679 46.789 45.100 0.017 0.000 0.713 88 G HN 0.982 nan 8.290 nan 0.000 0.515 89 T N -3.535 111.017 114.554 -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 2.398 64.493 62.100 -0.008 0.000 1.137 89 T CB -0.354 68.497 68.868 -0.028 0.000 0.879 89 T HN 0.294 nan 8.240 nan 0.000 0.467 90 T N 1.838 116.390 114.554 -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 -0.848 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 2.684 91 T HA -0.058 4.293 4.350 0.001 0.000 0.267 91 T C 2.406 177.121 174.700 0.025 0.000 1.036 91 T CA 1.245 63.356 62.100 0.018 0.000 1.148 91 T CB -0.559 68.322 68.868 0.021 0.000 0.863 91 T HN 0.428 nan 8.240 nan 0.000 0.436 92 A N 1.152 123.992 122.820 0.033 0.000 1.933 92 A HA -0.133 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 2.100 54.166 52.037 0.047 0.000 0.628 92 A CB -1.170 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 -0.352 114.215 114.554 0.022 0.000 2.821 93 T HA -0.099 4.251 4.350 0.001 0.000 0.267 93 T C 1.980 176.689 174.700 0.015 0.000 1.046 93 T CA 1.685 63.795 62.100 0.016 0.000 1.139 93 T CB -0.569 68.302 68.868 0.006 0.000 0.871 93 T HN 0.643 nan 8.240 nan 0.000 0.454 94 V N 0.368 120.290 119.914 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 1.257 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 0.686 121.921 121.223 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 -0.639 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 -0.478 119.332 119.800 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 1.750 57.561 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 0.748 123.574 122.820 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 -0.573 120.005 120.570 0.012 0.000 2.286 99 I HA -0.203 3.968 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 1.101 62.409 61.300 0.012 0.000 1.397 99 I CB -0.326 37.683 38.000 0.014 0.000 1.072 99 I HN 0.279 nan 8.210 nan 0.000 0.417 100 I N 0.431 121.010 120.570 0.014 0.000 2.179 100 I HA -0.270 3.901 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 -0.589 37.420 38.000 0.015 0.000 1.051 100 I HN 0.226 nan 8.210 nan 0.000 0.409 101 T N 0.315 114.875 114.554 0.010 0.000 2.622 101 T HA -0.181 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 1.408 63.513 62.100 0.008 0.000 1.159 101 T CB -0.202 68.671 68.868 0.007 0.000 0.863 101 T HN 0.295 nan 8.240 nan 0.000 0.422 102 E N 0.573 120.778 120.200 0.007 0.000 2.152 102 E HA 0.010 4.360 4.350 0.001 0.000 0.192 102 E C 2.537 179.142 176.600 0.007 0.000 0.983 102 E CA 0.914 57.318 56.400 0.006 0.000 0.818 102 E CB -0.773 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 1.381 110.185 108.800 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 1.708 176.613 174.900 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 -0.239 120.989 121.223 0.009 0.000 2.201 104 L HA -0.001 4.340 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 0.898 55.743 54.840 0.009 0.000 0.775 104 L CB -0.268 41.796 42.059 0.009 0.000 0.913 104 L HN 0.201 nan 8.230 nan 0.000 0.440 105 K N 0.172 120.575 120.400 0.006 0.000 2.057 105 K HA -0.120 4.201 4.320 0.001 0.000 0.206 105 K C 2.254 178.856 176.600 0.004 0.000 1.050 105 K CA 1.298 57.587 56.287 0.004 0.000 0.935 105 K CB -0.149 32.353 32.500 0.004 0.000 0.715 105 K HN 0.255 nan 8.250 nan 0.000 0.439 106 A N 0.812 123.636 122.820 0.005 0.000 1.933 106 A HA -0.124 4.196 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 1.377 53.417 52.037 0.005 0.000 0.628 106 A CB -0.552 18.451 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 3.903 4.120 0.001 0.000 0.245 107 V C 3.028 179.126 176.094 0.007 0.000 1.045 107 V CA 1.853 64.158 62.300 0.008 0.000 1.024 107 V CB -1.120 30.709 31.823 0.010 0.000 0.651 107 V HN 0.603 nan 8.190 nan 0.000 0.449 108 A N -0.100 122.723 122.820 0.006 0.000 2.019 108 A HA -0.034 4.287 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 1.716 53.756 52.037 0.004 0.000 0.644 108 A CB -0.544 18.458 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 -0.739 18.263 19.000 0.002 0.000 0.801 109 A HN 1.815 nan 8.150 nan 0.000 0.473 110 G N -2.101 106.701 108.800 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 0.141 45.242 45.100 0.003 0.000 0.646 110 G HN 0.355 nan 8.290 nan 0.000 0.517 111 M N 0.842 120.444 119.600 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 -0.424 54.879 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 2.765 121.469 118.700 0.006 0.000 2.416 112 N HA 0.074 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 1.688 178.994 177.300 0.011 0.000 1.157 113 P CA 1.500 64.608 63.100 0.012 0.000 0.880 113 P CB 0.192 31.901 31.700 0.016 0.000 0.791 114 M N -1.017 118.590 119.600 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 1.648 56.954 55.300 0.010 0.000 1.110 114 M CB -1.680 30.926 32.600 0.010 0.000 1.374 114 M HN 0.007 nan 8.290 nan 0.000 0.411 115 D N 0.384 120.788 120.400 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 2.529 179.403 176.870 0.006 0.000 1.077 116 L CA 1.171 56.014 54.840 0.006 0.000 0.747 116 L CB -0.312 41.751 42.059 0.007 0.000 0.896 116 L HN -0.034 nan 8.230 nan 0.000 0.432 117 K N 0.405 120.809 120.400 0.007 0.000 2.057 117 K HA -0.233 4.087 4.320 0.001 0.000 0.207 117 K C 2.330 178.932 176.600 0.004 0.000 1.049 117 K CA 1.349 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 0.407 nan 8.270 nan 0.000 0.436 119 G N 0.710 109.511 108.800 0.002 0.000 2.402 119 G HA2 -0.222 3.738 3.960 0.001 0.000 0.216 119 G HA3 -0.222 3.738 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 0.845 45.946 45.100 0.001 0.000 0.777 119 G HN 0.268 nan 8.290 nan 0.000 0.539 120 I N 1.043 121.614 120.570 0.001 0.000 2.163 120 I HA -0.153 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 1.271 62.571 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 4.436 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 40.602 40.800 -0.008 0.000 0.955 121 D HN 0.298 nan 8.370 nan 0.000 0.465 122 K N 0.669 121.066 120.400 -0.006 0.000 2.057 122 K HA -0.066 4.254 4.320 0.001 0.000 0.206 122 K C 2.026 178.622 176.600 -0.006 0.000 1.050 122 K CA 1.160 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 0.681 123.498 122.820 -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 1.701 53.736 52.037 -0.003 0.000 0.627 123 A CB -0.657 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 -0.483 119.425 119.914 -0.010 0.000 2.358 124 V HA -0.208 3.912 4.120 0.001 0.000 0.246 124 V C 2.735 178.817 176.094 -0.019 0.000 1.047 124 V CA 2.409 64.700 62.300 -0.016 0.000 1.035 124 V CB -1.184 30.625 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 1.919 176.611 174.700 -0.013 0.000 1.036 125 T CA 1.822 63.911 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 -1.156 30.665 31.823 -0.003 0.000 0.672 126 V HN 0.509 nan 8.190 nan 0.000 0.457 127 A N -0.052 122.766 122.820 -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 2.068 54.104 52.037 -0.003 0.000 0.628 127 A CB -0.633 18.365 19.000 -0.003 0.000 0.814 127 A HN 0.342 nan 8.150 nan 0.000 0.444 128 V N 0.031 119.939 119.914 -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 -0.082 120.114 120.200 -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 1.414 57.811 56.400 -0.004 0.000 0.800 129 E CB -0.131 29.566 29.700 -0.004 0.000 0.746 129 E HN 0.515 nan 8.360 nan 0.000 0.452 130 E N 0.839 121.040 120.200 0.001 0.000 2.150 130 E HA -0.163 4.188 4.350 0.001 0.000 0.193 130 E C 1.805 178.409 176.600 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 29.597 29.700 0.006 0.000 0.752 130 E HN 0.099 nan 8.360 nan 0.000 0.466 131 L N 0.770 121.996 121.223 0.005 0.000 2.093 131 L HA -0.091 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 1.802 56.646 54.840 0.007 0.000 0.755 131 L CB -0.308 41.754 42.059 0.004 0.000 0.904 131 L HN 0.024 nan 8.230 nan 0.000 0.435 132 K N -0.962 119.441 120.400 0.004 0.000 2.097 132 K HA -0.089 4.231 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 1.219 57.509 56.287 0.004 0.000 0.933 132 K CB -0.327 32.174 32.500 0.001 0.000 0.717 132 K HN 0.408 nan 8.250 nan 0.000 0.442 133 A N 1.293 124.117 122.820 0.006 0.000 1.972 133 A HA -0.094 4.226 4.320 0.001 0.000 0.219 133 A C 1.975 179.565 177.584 0.010 0.000 1.169 133 A CA 1.178 53.219 52.037 0.007 0.000 0.635 133 A CB -0.460 18.544 19.000 0.007 0.000 0.810 133 A HN 0.168 nan 8.150 nan 0.000 0.446 134 L N -0.525 120.705 121.223 0.011 0.000 2.492 134 L HA 0.069 4.409 4.340 0.001 0.000 0.223 134 L C 1.261 178.140 176.870 0.014 0.000 1.132 134 L CA -0.065 54.783 54.840 0.015 0.000 0.850 134 L CB -0.279 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 0.256 4.726 4.470 0.001 0.000 0.286 135 S C 0.272 174.879 174.600 0.011 0.000 1.314 135 S CA -0.441 57.766 58.200 0.011 0.000 1.062 135 S CB 0.879 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 6.157 126.078 119.914 0.011 0.000 3.842 136 V HA 0.665 4.786 4.120 0.001 0.000 0.281 136 V C -2.203 173.896 176.094 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 1.684 120.985 119.300 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 -1.673 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 1.001 116.702 115.700 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 58.422 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 1.724 122.124 120.400 0.000 0.000 2.358 140 D HA 0.104 4.745 4.640 0.001 0.000 0.244 140 D C 0.968 177.268 176.300 -0.000 0.000 1.163 140 D CA 0.310 54.310 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 0.406 116.106 115.700 -0.000 0.000 2.419 141 S HA -0.244 4.227 4.470 0.001 0.000 0.233 141 S C 1.701 176.301 174.600 0.000 0.000 1.016 141 S CA 0.941 59.141 58.200 -0.000 0.000 0.974 141 S CB -0.333 62.867 63.200 -0.000 0.000 0.786 141 S HN 0.633 nan 8.310 nan 0.000 0.492 142 K N 1.794 122.194 120.400 0.001 0.000 2.026 142 K HA -0.018 4.303 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 1.183 57.471 56.287 0.001 0.000 0.929 142 K CB -0.656 31.844 32.500 0.001 0.000 0.713 142 K HN 0.417 nan 8.250 nan 0.000 0.439 143 A N 1.598 124.419 122.820 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 18.351 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 62.445 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 0.102 122.923 122.820 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 1.371 53.409 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 1.808 57.611 55.803 0.002 0.000 0.838 146 Q CB -0.374 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 0.492 120.408 119.914 0.004 0.000 2.332 147 V HA -0.243 3.878 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 1.993 64.297 62.300 0.006 0.000 1.038 147 V CB -1.204 30.624 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 -0.233 3.727 3.960 0.001 0.000 0.217 148 G HA3 -0.233 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 1.497 46.603 45.100 0.009 0.000 0.771 148 G HN 0.471 nan 8.290 nan 0.000 0.545 149 T N 1.448 116.005 114.554 0.004 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 63.195 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 2.438 178.556 176.117 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 37.663 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 1.563 176.169 174.600 0.009 0.000 0.987 151 S CA 0.803 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 1.565 124.388 122.820 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 -0.396 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 -0.256 118.444 118.700 -0.001 0.000 2.740 153 N HA -0.232 4.509 4.740 0.001 0.000 0.248 153 N C 0.192 175.699 175.510 -0.004 0.000 1.062 153 N CA 1.127 54.175 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 -1.744 113.954 115.700 -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 1.542 121.941 120.400 -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 0.356 41.156 40.800 -0.000 0.000 1.029 155 D HN 0.472 nan 8.370 nan 0.000 0.515 156 E N 0.974 121.174 120.200 -0.001 0.000 2.273 156 E HA -0.163 4.187 4.350 0.001 0.000 0.198 156 E C 1.355 177.955 176.600 0.000 0.000 1.002 156 E CA 1.042 57.442 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 0.762 115.316 114.554 0.000 0.000 2.643 157 T HA -0.147 4.203 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 1.378 63.478 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 1.448 121.363 119.914 0.002 0.000 2.469 158 V HA -0.129 3.992 4.120 0.001 0.000 0.251 158 V C 2.813 178.909 176.094 0.004 0.000 1.064 158 V CA 1.894 64.196 62.300 0.004 0.000 1.066 158 V CB -1.414 30.412 31.823 0.005 0.000 0.667 158 V HN 0.621 nan 8.190 nan 0.000 0.461 159 G N -0.311 108.491 108.800 0.003 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 1.012 46.114 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 0.676 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 0.311 nan 8.250 nan 0.000 0.439 161 L N 1.043 122.267 121.223 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 2.730 178.847 176.117 -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 0.553 123.374 122.820 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 1.619 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 -0.163 120.037 120.200 -0.001 0.000 2.072 164 E HA -0.044 4.306 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 0.806 57.205 56.400 -0.001 0.000 0.803 164 E CB -0.308 29.391 29.700 -0.000 0.000 0.755 164 E HN 0.594 nan 8.360 nan 0.000 0.453 165 A N 1.448 124.268 122.820 -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 1.499 53.535 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 -1.167 118.431 119.600 -0.004 0.000 2.394 166 M HA -0.082 4.398 4.480 0.001 0.000 0.264 166 M C 1.616 177.913 176.300 -0.004 0.000 1.073 166 M CA 1.537 56.834 55.300 -0.005 0.000 1.111 166 M CB -0.362 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 0.974 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 0.043 120.443 120.400 -0.002 0.000 1.975 168 K HA -0.009 4.311 4.320 0.001 0.000 0.210 168 K C 2.024 178.624 176.600 -0.001 0.000 1.041 168 K CA 1.349 57.636 56.287 -0.001 0.000 0.942 168 K CB -0.883 31.616 32.500 -0.001 0.000 0.729 168 K HN 0.234 nan 8.250 nan 0.000 0.439 169 V N -1.532 118.381 119.914 -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 0.186 175.083 174.900 -0.006 0.000 1.337 170 G CA -0.071 45.027 45.100 -0.004 0.000 0.829 170 G HN 0.747 nan 8.290 nan 0.000 0.599 171 K N -0.004 120.392 120.400 -0.007 0.000 2.442 171 K HA -0.001 4.320 4.320 0.001 0.000 0.198 171 K C 1.036 177.628 176.600 -0.013 0.000 1.044 171 K CA 1.620 57.901 56.287 -0.010 0.000 0.948 171 K CB 0.280 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 1.208 121.402 120.200 -0.010 0.000 2.481 172 E HA 0.087 4.438 4.350 0.001 0.000 0.198 172 E C 0.841 177.435 176.600 -0.010 0.000 1.027 172 E CA 0.106 56.499 56.400 -0.011 0.000 0.900 172 E CB 0.711 30.407 29.700 -0.007 0.000 0.993 172 E HN 0.415 nan 8.360 nan 0.000 0.482 173 G N 0.905 109.700 108.800 -0.009 0.000 2.599 173 G HA2 0.286 4.247 3.960 0.001 0.000 0.264 173 G HA3 0.286 4.247 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 0.670 120.579 119.914 -0.008 0.000 2.583 174 V HA 0.381 4.501 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 0.157 62.448 62.300 -0.015 0.000 1.010 174 V CB 0.750 32.564 31.823 -0.016 0.000 0.988 174 V HN 0.444 nan 8.190 nan 0.000 0.478 175 I N 3.586 124.147 120.570 -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 61.095 61.300 -0.011 0.000 1.047 175 I CB 2.584 40.579 38.000 -0.009 0.000 1.237 175 I HN 0.578 nan 8.210 nan 0.000 0.421 176 T N 4.311 118.861 114.554 -0.007 0.000 2.916 176 T HA 0.680 5.031 4.350 0.001 0.000 0.292 176 T C -0.763 173.937 174.700 0.000 0.000 1.064 176 T CA -0.697 61.401 62.100 -0.004 0.000 1.011 176 T CB 2.597 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 -0.782 119.134 119.914 0.003 0.000 2.638 177 V HA 0.838 4.959 4.120 0.001 0.000 0.306 177 V C -1.062 175.035 176.094 0.004 0.000 1.052 177 V CA -0.790 61.513 62.300 0.005 0.000 0.885 177 V CB 1.725 33.553 31.823 0.008 0.000 0.999 177 V HN 0.936 nan 8.190 nan 0.000 0.424 178 E N 2.022 122.223 120.200 0.002 0.000 2.392 178 E HA 0.433 4.784 4.350 0.001 0.000 0.269 178 E C -1.416 175.184 176.600 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 0.859 121.259 120.400 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 1.053 175.952 174.900 -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 -2.957 111.595 114.554 -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 -0.056 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 1.547 110.345 108.800 -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 0.941 122.163 121.223 -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 1.987 nan 8.230 nan 0.000 0.192 184 Q N 2.060 121.860 119.800 -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 56.735 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 2.521 122.920 120.400 -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 -0.004 120.196 120.200 -0.001 0.000 2.272 186 E HA 0.457 4.808 4.350 0.001 0.000 0.269 186 E C -1.200 175.399 176.600 -0.001 0.000 0.877 186 E CA -0.847 55.552 56.400 -0.001 0.000 0.755 186 E CB 2.436 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 4.253 125.476 121.223 -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 1.090 43.149 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 -0.002 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 2.322 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 1.016 120.930 119.914 0.000 0.000 2.407 189 V HA 0.418 4.539 4.120 0.001 0.000 0.278 189 V C 0.768 176.864 176.094 0.003 0.000 1.037 189 V CA -0.639 61.663 62.300 0.002 0.000 0.900 189 V CB 1.013 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 1.852 121.769 119.914 0.005 0.000 3.166 190 V HA 0.646 4.767 4.120 0.001 0.000 0.317 190 V C 0.211 176.314 176.094 0.015 0.000 1.136 190 V CA -0.889 61.415 62.300 0.008 0.000 1.035 190 V CB 2.121 33.947 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 0.076 29.793 29.700 0.029 0.000 1.180 191 E HN 0.930 nan 8.360 nan 0.000 0.494 192 G N 0.646 109.456 108.800 0.017 0.000 2.531 192 G HA2 0.692 4.653 3.960 0.001 0.000 0.313 192 G HA3 0.692 4.653 3.960 0.001 0.000 0.313 192 G C -0.380 174.542 174.900 0.037 0.000 1.238 192 G CA -0.465 44.651 45.100 0.026 0.000 0.994 192 G HN 0.313 nan 8.290 nan 0.000 0.493 193 M N -0.636 118.999 119.600 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 54.700 55.300 0.085 0.000 0.870 193 M CB 2.470 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 3.423 123.294 119.800 0.118 0.000 2.285 194 Q HA 0.594 4.935 4.340 0.001 0.000 0.269 194 Q C -2.179 173.905 176.000 0.141 0.000 1.030 194 Q CA -0.595 55.244 55.803 0.060 0.000 0.788 194 Q CB 1.913 30.644 28.738 -0.012 0.000 1.266 194 Q HN 0.587 nan 8.270 nan 0.000 0.438 195 F N 0.036 119.980 119.950 -0.010 0.000 2.593 195 F HA 0.545 5.073 4.527 0.001 0.000 0.320 195 F C -0.382 175.411 175.800 -0.012 0.000 1.060 195 F CA -1.290 56.705 58.000 -0.008 0.000 0.940 195 F CB 0.958 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 3.185 123.666 120.400 0.134 0.000 2.551 196 D HA 0.195 4.836 4.640 0.001 0.000 0.223 196 D C -0.304 176.025 176.300 0.048 0.000 1.144 196 D CA 0.279 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 0.651 121.102 120.500 -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 -0.658 55.425 56.100 -0.029 0.000 0.958 197 R CB 1.808 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 -1.212 119.095 120.300 0.012 0.000 2.597 199 Y HA 0.267 4.818 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 -1.023 57.113 58.100 0.060 0.000 1.463 199 Y CB 0.317 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 0.273 0.000 1.057 200 L HN 0.920 nan 8.230 nan 0.000 0.435 201 S N -3.961 112.092 115.700 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 -0.497 0.000 1.342 202 P CA 0.527 63.244 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 -4.899 115.208 120.300 -0.321 0.000 2.802 203 Y HA -0.310 4.241 4.550 0.001 0.000 0.485 203 Y C 1.883 177.639 175.900 -0.241 0.000 1.190 203 Y CA 1.509 59.431 58.100 -0.296 0.000 2.757 203 Y CB -3.069 35.154 38.460 -0.395 0.000 0.919 203 Y HN 0.108 nan 8.280 nan 0.000 0.540 204 F N 0.598 120.535 119.950 -0.020 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 58.848 58.000 -0.036 0.000 1.348 204 F CB -0.597 38.387 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 0.871 176.981 176.117 -0.012 0.000 1.160 205 I CA 0.222 61.475 61.300 -0.078 0.000 1.370 205 I CB -0.153 37.726 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 0.093 175.611 175.510 0.014 0.000 1.082 206 N CA 0.277 53.343 53.050 0.026 0.000 0.885 206 N CB 0.295 38.807 38.487 0.041 0.000 0.977 206 N HN 0.447 nan 8.380 nan 0.000 0.462 207 K N 1.006 121.413 120.400 0.010 0.000 2.679 207 K HA 0.239 4.559 4.320 0.001 0.000 0.188 207 K C -2.108 174.493 176.600 0.001 0.000 1.055 207 K CA -1.712 54.579 56.287 0.007 0.000 1.006 207 K CB 2.031 34.539 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 0.274 177.569 177.300 -0.009 0.000 1.144 208 P CA 1.153 64.242 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 1.732 58.131 56.400 -0.002 0.000 0.800 209 E CB -1.039 28.661 29.700 0.000 0.000 0.746 209 E HN 0.270 nan 8.360 nan 0.000 0.452 210 T N -1.437 113.123 114.554 0.009 0.000 3.054 210 T HA 0.275 4.626 4.350 0.001 0.000 0.255 210 T C 1.107 175.826 174.700 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 45.388 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 -0.243 177.396 177.584 0.093 0.000 1.173 212 A CA -0.223 51.898 52.037 0.139 0.000 0.785 212 A CB 1.939 20.997 19.000 0.096 0.000 1.351 212 A HN 1.159 nan 8.150 nan 0.000 0.431 213 V N 0.707 120.695 119.914 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 1.330 33.225 31.823 0.121 0.000 0.988 213 V HN 0.917 nan 8.190 nan 0.000 0.440 214 E N 4.051 124.274 120.200 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 55.814 56.400 0.021 0.000 0.762 214 E CB 1.801 31.510 29.700 0.016 0.000 1.180 214 E HN 0.626 nan 8.360 nan 0.000 0.416 215 L N 3.115 124.340 121.223 0.004 0.000 2.381 215 L HA 0.523 4.863 4.340 0.001 0.000 0.268 215 L C -0.550 176.309 176.870 -0.018 0.000 0.997 215 L CA -0.851 53.987 54.840 -0.003 0.000 0.818 215 L CB 2.165 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 1.052 121.235 120.200 -0.027 0.000 2.158 216 E HA 0.329 4.679 4.350 0.001 0.000 0.271 216 E C -0.454 176.102 176.600 -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 1.963 117.610 115.700 -0.089 0.000 3.550 217 S HA -0.132 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 0.418 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 -0.074 119.881 119.950 0.010 0.000 2.379 219 F HA 0.422 4.950 4.527 0.001 0.000 0.332 219 F C 0.837 176.642 175.800 0.009 0.000 1.096 219 F CA -0.364 57.641 58.000 0.009 0.000 1.105 219 F CB 0.650 39.655 39.000 0.008 0.000 1.189 219 F HN 0.015 nan 8.300 nan 0.000 0.515 220 I N 4.581 125.284 120.570 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 60.492 61.300 0.123 0.000 1.119 220 I CB 1.510 39.563 38.000 0.089 0.000 1.261 220 I HN 0.266 nan 8.210 nan 0.000 0.448 221 L N 8.324 129.589 121.223 0.069 0.000 2.281 221 L HA 0.379 4.719 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 0.230 55.092 54.840 0.037 0.000 0.817 221 L CB 0.524 42.600 42.059 0.028 0.000 1.168 221 L HN 0.482 nan 8.230 nan 0.000 0.434 222 L N 6.864 128.094 121.223 0.012 0.000 2.417 222 L HA 0.548 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 0.589 42.641 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 0.444 19.448 19.000 0.006 0.000 1.137 223 A HN 0.594 nan 8.150 nan 0.000 0.527 224 D N 2.389 122.785 120.400 -0.007 0.000 2.741 224 D HA 0.350 4.991 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 0.176 54.172 54.000 -0.008 0.000 1.003 224 D CB -0.585 40.206 40.800 -0.015 0.000 1.064 224 D HN 0.651 nan 8.370 nan 0.000 0.503 225 K N -0.852 119.553 120.400 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 0.623 33.130 32.500 0.011 0.000 1.492 225 K HN -0.172 nan 8.250 nan 0.000 0.362 226 K N 0.845 121.260 120.400 0.025 0.000 2.144 226 K HA 0.447 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 -0.540 55.765 56.287 0.031 0.000 0.932 226 K CB 0.842 33.361 32.500 0.032 0.000 1.021 226 K HN 0.372 nan 8.250 nan 0.000 0.462 227 I N 2.068 122.659 120.570 0.034 0.000 2.420 227 I HA 0.076 4.247 4.170 0.001 0.000 0.282 227 I C 0.323 176.462 176.117 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 39.782 38.000 0.035 0.000 1.262 227 I HN 0.642 nan 8.210 nan 0.000 0.454 228 S N 3.304 119.022 115.700 0.031 0.000 2.566 228 S HA 0.190 4.661 4.470 0.001 0.000 0.234 228 S C 0.705 175.321 174.600 0.027 0.000 1.075 228 S CA 0.026 58.244 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 0.580 nan 8.310 nan 0.000 0.518 229 N N 1.950 120.663 118.700 0.022 0.000 2.434 229 N HA 0.276 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 1.955 178.082 176.117 0.016 0.000 1.160 230 I CA 0.969 62.282 61.300 0.021 0.000 1.445 230 I CB 0.209 38.221 38.000 0.020 0.000 1.086 230 I HN 0.425 nan 8.210 nan 0.000 0.433 231 R N 0.935 121.442 120.500 0.012 0.000 2.134 231 R HA -0.267 4.073 4.340 0.001 0.000 0.248 231 R C 2.009 178.314 176.300 0.007 0.000 1.143 231 R CA 2.381 58.486 56.100 0.008 0.000 0.957 231 R CB -0.653 29.651 30.300 0.006 0.000 0.867 231 R HN 0.561 nan 8.270 nan 0.000 0.441 232 E N -0.079 120.125 120.200 0.008 0.000 2.118 232 E HA -0.197 4.154 4.350 0.001 0.000 0.195 232 E C 2.022 178.626 176.600 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 0.230 119.836 119.600 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 2.086 56.928 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 1.567 64.658 63.100 -0.016 0.000 0.863 235 P CB 0.015 31.705 31.700 -0.016 0.000 0.787 236 V N 0.351 120.248 119.914 -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 1.272 63.545 62.300 -0.045 0.000 1.049 236 V CB -1.249 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 -0.112 121.105 121.223 -0.010 0.000 2.079 237 L HA -0.214 4.127 4.340 0.001 0.000 0.210 237 L C 2.584 179.457 176.870 0.005 0.000 1.081 237 L CA 1.766 56.611 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 0.057 120.255 120.200 -0.004 0.000 2.107 238 E HA -0.146 4.204 4.350 0.001 0.000 0.191 238 E C 2.327 178.918 176.600 -0.015 0.000 0.982 238 E CA 0.953 57.351 56.400 -0.003 0.000 0.809 238 E CB -0.155 29.542 29.700 -0.006 0.000 0.756 238 E HN 0.478 nan 8.360 nan 0.000 0.459 239 A N 1.028 123.823 122.820 -0.041 0.000 1.972 239 A HA -0.130 4.191 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 -0.339 18.593 19.000 -0.113 0.000 0.810 239 A HN 0.121 nan 8.150 nan 0.000 0.446 240 V N -0.726 119.151 119.914 -0.061 0.000 3.052 240 V HA -0.034 4.087 4.120 0.001 0.000 0.254 240 V C 2.837 178.981 176.094 0.082 0.000 1.100 240 V CA 1.094 63.401 62.300 0.012 0.000 1.112 240 V CB -0.767 31.091 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 -0.157 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 53.383 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 -2.925 117.504 120.400 0.047 0.000 2.318 242 K HA 0.462 4.782 4.320 0.001 0.000 0.243 242 K C 1.089 177.747 176.600 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 0.683 nan 8.250 nan 0.000 0.506 243 A N -0.064 122.814 122.820 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 1.490 53.611 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 -0.986 107.873 108.800 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 0.543 121.003 120.400 0.100 0.000 2.371 245 K HA 0.515 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 35.362 32.500 -0.180 0.000 1.204 245 K HN 0.078 nan 8.250 nan 0.000 0.427 246 P HA 0.149 nan 4.420 nan 0.000 0.274 246 P C -1.165 176.191 177.300 0.094 0.000 1.246 246 P CA -0.586 62.547 63.100 0.056 0.000 0.795 246 P CB 0.758 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 1.622 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 6.058 127.313 121.223 0.053 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 43.177 42.059 0.030 0.000 1.221 248 L HN 0.423 nan 8.230 nan 0.000 0.418 249 I N 7.200 127.764 120.570 -0.009 0.000 2.301 249 I HA 0.254 4.425 4.170 0.001 0.000 0.292 249 I C 0.048 176.180 176.117 0.023 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 6.216 126.809 120.570 0.038 0.000 2.523 250 I HA 0.399 4.570 4.170 0.001 0.000 0.281 250 I C 0.525 176.654 176.117 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 3.243 126.080 122.820 0.028 0.000 2.284 251 A HA 0.401 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 1.011 20.027 19.000 0.027 0.000 1.319 251 A HN 0.638 nan 8.150 nan 0.000 0.494 252 E N -0.840 119.375 120.200 0.025 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 1.543 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 -2.358 118.071 120.400 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 1.221 42.055 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 0.400 4.521 4.120 0.001 0.000 0.278 254 V C 0.167 176.313 176.094 0.086 0.000 1.018 254 V CA -0.604 61.744 62.300 0.080 0.000 0.814 254 V CB 1.100 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 2.626 122.866 120.200 0.067 0.000 2.345 255 E HA 0.374 4.725 4.350 0.001 0.000 0.259 255 E C 1.458 178.093 176.600 0.060 0.000 1.117 255 E CA 0.171 56.607 56.400 0.061 0.000 0.913 255 E CB 1.027 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 1.694 110.525 108.800 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 1.292 176.214 174.900 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 1.021 121.238 120.200 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 2.156 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 0.937 123.781 122.820 0.041 0.000 1.877 258 A HA -0.189 4.132 4.320 0.001 0.000 0.216 258 A C 2.372 180.000 177.584 0.074 0.000 1.186 258 A CA 1.804 53.872 52.037 0.051 0.000 0.620 258 A CB -0.866 18.166 19.000 0.053 0.000 0.822 258 A HN 0.358 nan 8.150 nan 0.000 0.443 259 L N -0.135 121.142 121.223 0.090 0.000 2.012 259 L HA -0.114 4.227 4.340 0.001 0.000 0.210 259 L C 2.730 179.650 176.870 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 0.144 0.000 0.891 259 L HN 0.369 nan 8.230 nan 0.000 0.431 260 A N -1.601 121.240 122.820 0.036 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 2.576 54.603 52.037 -0.016 0.000 0.633 260 A CB -1.321 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 0.521 115.077 114.554 0.004 0.000 2.708 261 T HA -0.093 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 63.583 62.100 0.004 0.000 1.146 261 T CB -0.447 68.432 68.868 0.019 0.000 0.865 261 T HN 0.388 nan 8.240 nan 0.000 0.435 262 L N 0.909 122.173 121.223 0.068 0.000 2.042 262 L HA -0.117 4.224 4.340 0.001 0.000 0.210 262 L C 2.662 179.582 176.870 0.082 0.000 1.076 262 L CA 0.973 55.895 54.840 0.136 0.000 0.749 262 L CB -0.845 41.374 42.059 0.267 0.000 0.893 262 L HN 0.159 nan 8.230 nan 0.000 0.432 263 V N -0.888 118.991 119.914 -0.059 0.000 2.427 263 V HA -0.209 3.912 4.120 0.001 0.000 0.248 263 V C 2.349 178.303 176.094 -0.232 0.000 1.051 263 V CA 1.366 63.493 62.300 -0.287 0.000 1.048 263 V CB -0.170 31.419 31.823 -0.389 0.000 0.666 263 V HN 0.211 nan 8.190 nan 0.000 0.456 264 V N 0.434 120.256 119.914 -0.154 0.000 2.346 264 V HA -0.200 3.921 4.120 0.001 0.000 0.244 264 V C 2.057 178.108 176.094 -0.073 0.000 1.037 264 V CA 2.184 64.406 62.300 -0.130 0.000 1.029 264 V CB -0.901 30.863 31.823 -0.097 0.000 0.663 264 V HN 0.600 nan 8.190 nan 0.000 0.454 265 N N 0.733 119.415 118.700 -0.031 0.000 2.080 265 N HA -0.165 4.576 4.740 0.001 0.000 0.189 265 N C 1.882 177.398 175.510 0.011 0.000 1.036 265 N CA 1.850 54.899 53.050 -0.002 0.000 0.846 265 N CB -0.271 38.228 38.487 0.021 0.000 1.015 265 N HN 0.627 nan 8.380 nan 0.000 0.423 266 T N -1.041 113.534 114.554 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 0.795 120.377 119.600 -0.030 0.000 2.447 267 M HA 0.287 4.768 4.480 0.001 0.000 0.264 267 M C 1.768 178.049 176.300 -0.031 0.000 1.095 267 M CA 0.978 56.245 55.300 -0.054 0.000 1.125 267 M CB -0.011 32.513 32.600 -0.126 0.000 1.389 267 M HN 0.062 nan 8.290 nan 0.000 0.459 268 R N -0.899 119.588 120.500 -0.022 0.000 2.466 268 R HA 0.384 4.725 4.340 0.001 0.000 0.279 268 R C 1.011 177.312 176.300 0.000 0.000 0.976 268 R CA 0.494 56.586 56.100 -0.014 0.000 1.081 268 R CB -0.059 30.231 30.300 -0.017 0.000 1.215 268 R HN 0.518 nan 8.270 nan 0.000 0.546 269 G N 1.670 110.475 108.800 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 0.027 45.138 45.100 0.018 0.000 0.644 269 G HN 0.363 nan 8.290 nan 0.000 0.537 270 I N 1.743 122.325 120.570 0.020 0.000 2.472 270 I HA 0.342 4.513 4.170 0.001 0.000 0.305 270 I C 0.783 176.922 176.117 0.036 0.000 1.196 270 I CA -0.170 61.144 61.300 0.023 0.000 1.613 270 I CB -0.219 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 4.113 124.052 119.914 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 62.522 62.300 0.056 0.000 2.046 271 V CB -0.895 30.962 31.823 0.057 0.000 2.479 271 V HN 0.713 nan 8.190 nan 0.000 0.507 272 K N 4.231 124.674 120.400 0.072 0.000 2.284 272 K HA 0.708 5.029 4.320 0.001 0.000 0.287 272 K C -0.482 176.172 176.600 0.091 0.000 1.081 272 K CA -0.201 56.137 56.287 0.084 0.000 0.910 272 K CB 1.522 34.062 32.500 0.066 0.000 1.088 272 K HN 0.561 nan 8.250 nan 0.000 0.478 273 V N 1.437 121.424 119.914 0.122 0.000 2.841 273 V HA 0.827 4.947 4.120 0.001 0.000 0.310 273 V C -0.875 175.242 176.094 0.038 0.000 1.090 273 V CA -1.111 61.241 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 2.881 125.578 122.820 -0.204 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 20.603 19.000 -0.453 0.000 1.267 274 A HN 1.554 nan 8.150 nan 0.000 0.418 275 A N 0.967 123.301 122.820 -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 -0.679 119.227 119.914 -0.013 0.000 2.971 276 V HA 0.604 4.724 4.120 0.001 0.000 0.309 276 V C -0.543 175.617 176.094 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 0.887 nan 8.190 nan 0.000 0.427 277 K N 2.039 122.511 120.400 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 56.693 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 3.558 126.419 122.820 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 -1.285 50.739 52.037 -0.022 0.000 0.794 278 A CB -0.257 18.716 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 64.537 63.100 -0.009 0.000 0.776 279 P CB 0.525 32.126 31.700 -0.166 0.000 0.876 280 G N 1.864 110.731 108.800 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 0.069 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 -2.525 117.434 119.950 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 58.261 58.000 0.018 0.000 0.941 281 F CB 0.939 39.955 39.000 0.027 0.000 1.349 281 F HN 2.497 nan 8.300 nan 0.000 0.464 282 G N 1.373 110.117 108.800 -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 0.308 175.110 174.900 -0.162 0.000 1.190 282 G CA 0.598 45.584 45.100 -0.189 0.000 0.971 282 G HN 0.865 nan 8.290 nan 0.000 0.559 283 D N 1.107 121.397 120.400 -0.183 0.000 2.077 283 D HA -0.098 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 1.717 55.643 54.000 -0.123 0.000 0.829 283 D CB -0.393 40.346 40.800 -0.101 0.000 0.983 283 D HN 0.729 nan 8.370 nan 0.000 0.453 284 R N 1.531 121.929 120.500 -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 1.398 57.412 56.100 -0.144 0.000 0.988 284 R CB -0.554 29.644 30.300 -0.169 0.000 0.871 284 R HN 0.118 nan 8.270 nan 0.000 0.458 285 R N 1.564 121.993 120.500 -0.119 0.000 2.094 285 R HA -0.167 4.173 4.340 0.001 0.000 0.239 285 R C 1.721 177.976 176.300 -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 0.350 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 32.256 32.500 -0.047 0.000 0.714 286 K HN 0.266 nan 8.250 nan 0.000 0.440 287 A N 1.345 124.124 122.820 -0.069 0.000 1.933 287 A HA -0.164 4.157 4.320 0.001 0.000 0.218 287 A C 2.136 179.675 177.584 -0.076 0.000 1.175 287 A CA 1.601 53.598 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 0.051 4.531 4.480 0.001 0.000 0.265 288 M C 2.161 178.377 176.300 -0.140 0.000 1.066 288 M CA 0.950 56.182 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 -0.247 4.093 4.340 0.001 0.000 0.212 289 L C 2.531 179.343 176.870 -0.097 0.000 1.103 289 L CA 1.325 56.086 54.840 -0.132 0.000 0.769 289 L CB -0.168 41.834 42.059 -0.096 0.000 0.908 289 L HN 0.327 nan 8.230 nan 0.000 0.438 290 Q N 0.018 119.773 119.800 -0.076 0.000 2.083 290 Q HA -0.200 4.141 4.340 0.001 0.000 0.198 290 Q C 1.710 177.679 176.000 -0.053 0.000 0.969 290 Q CA 1.750 57.520 55.803 -0.055 0.000 0.838 290 Q CB -0.117 28.593 28.738 -0.046 0.000 0.900 290 Q HN 0.436 nan 8.270 nan 0.000 0.436 291 D N 0.018 120.380 120.400 -0.064 0.000 2.149 291 D HA -0.169 4.471 4.640 0.001 0.000 0.198 291 D C 1.842 178.112 176.300 -0.049 0.000 0.990 291 D CA 1.412 55.380 54.000 -0.053 0.000 0.839 291 D CB -0.069 40.696 40.800 -0.059 0.000 0.948 291 D HN 0.394 nan 8.370 nan 0.000 0.460 292 I N 1.268 121.793 120.570 -0.076 0.000 2.252 292 I HA -0.230 3.940 4.170 0.001 0.000 0.245 292 I C 2.628 178.729 176.117 -0.027 0.000 1.102 292 I CA 0.830 62.093 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 0.730 123.531 122.820 -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 0.311 114.858 114.554 -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 63.386 62.100 -0.007 0.000 1.136 294 T CB -0.231 68.629 68.868 -0.013 0.000 0.864 294 T HN 0.292 nan 8.240 nan 0.000 0.467 295 L N 1.796 123.018 121.223 -0.000 0.000 2.068 295 L HA -0.000 4.341 4.340 0.001 0.000 0.204 295 L C 2.420 179.299 176.870 0.015 0.000 1.076 295 L CA 2.182 57.026 54.840 0.008 0.000 0.753 295 L CB -1.329 40.736 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 0.405 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 0.531 109.346 108.800 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 -1.705 107.111 108.800 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 -0.442 174.463 174.900 0.010 0.000 1.344 298 G CA 0.184 45.300 45.100 0.027 0.000 1.050 298 G HN 0.723 nan 8.290 nan 0.000 0.532 299 T N 0.195 114.751 114.554 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 0.166 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 0.007 62.297 62.300 -0.016 0.000 1.074 300 V CB 0.007 31.816 31.823 -0.023 0.000 0.958 300 V HN 0.781 nan 8.190 nan 0.000 0.481 301 I N 5.666 126.229 120.570 -0.012 0.000 2.316 301 I HA 0.219 4.390 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 38.460 38.000 -0.009 0.000 1.455 301 I HN 0.731 nan 8.210 nan 0.000 0.498 302 S N 2.794 118.489 115.700 -0.009 0.000 2.565 302 S HA 0.375 4.846 4.470 0.001 0.000 0.290 302 S C 0.624 175.220 174.600 -0.006 0.000 1.150 302 S CA -0.824 57.371 58.200 -0.008 0.000 1.058 302 S CB 2.062 65.255 63.200 -0.011 0.000 1.032 302 S HN 0.538 nan 8.310 nan 0.000 0.510 303 E N 1.116 121.314 120.200 -0.003 0.000 2.347 303 E HA -0.100 4.251 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 0.633 57.032 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 0.557 120.755 120.200 -0.004 0.000 2.160 304 E HA -0.148 4.202 4.350 0.001 0.000 0.195 304 E C 1.368 177.964 176.600 -0.006 0.000 0.991 304 E CA 0.790 57.187 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 0.064 120.630 120.570 -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 -0.165 61.131 61.300 -0.007 0.000 1.139 305 I CB 0.239 38.234 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 0.142 45.239 45.100 -0.004 0.000 1.004 306 G HN 0.371 nan 8.290 nan 0.000 0.509 307 M N -0.319 119.278 119.600 -0.005 0.000 2.472 307 M HA 0.525 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 -0.389 54.908 55.300 -0.007 0.000 1.009 307 M CB 1.738 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 1.733 121.929 120.200 -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 1.573 122.793 121.223 -0.006 0.000 2.201 309 L HA -0.166 4.175 4.340 0.001 0.000 0.212 309 L C 1.610 178.473 176.870 -0.011 0.000 1.105 309 L CA 1.054 55.889 54.840 -0.008 0.000 0.775 309 L CB -0.236 41.822 42.059 -0.002 0.000 0.913 309 L HN 0.533 nan 8.230 nan 0.000 0.440 310 E N 0.642 120.836 120.200 -0.009 0.000 2.106 310 E HA -0.138 4.213 4.350 0.001 0.000 0.192 310 E C 0.920 177.510 176.600 -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 -0.803 175.784 176.600 -0.022 0.000 1.282 311 K CA -0.212 56.064 56.287 -0.017 0.000 1.259 311 K CB 0.798 33.290 32.500 -0.013 0.000 1.546 311 K HN -0.027 nan 8.250 nan 0.000 0.384 312 A N 1.170 123.972 122.820 -0.029 0.000 2.353 312 A HA 0.426 4.747 4.320 0.001 0.000 0.299 312 A C 0.028 177.579 177.584 -0.056 0.000 1.089 312 A CA -0.682 51.333 52.037 -0.037 0.000 0.736 312 A CB 0.839 19.819 19.000 -0.034 0.000 1.195 312 A HN 0.295 nan 8.150 nan 0.000 0.447 313 T N -0.066 114.450 114.554 -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 2.717 179.459 176.870 -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 0.124 120.259 120.200 -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 0.698 57.072 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 0.349 176.644 176.300 -0.009 0.000 0.967 316 D CA 0.326 54.311 54.000 -0.025 0.000 0.840 316 D CB 0.080 40.861 40.800 -0.031 0.000 0.972 316 D HN 0.130 nan 8.370 nan 0.000 0.482 317 L N 1.111 122.319 121.223 -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 0.375 55.232 54.840 0.028 0.000 0.855 317 L CB 0.369 42.414 42.059 -0.023 0.000 1.114 317 L HN -0.142 nan 8.230 nan 0.000 0.485 318 G N 1.480 110.351 108.800 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 0.111 0.000 0.978 318 G HN 0.582 nan 8.290 nan 0.000 0.498 319 Q N -1.794 118.061 119.800 0.091 0.000 2.479 319 Q HA 0.556 4.897 4.340 0.001 0.000 0.276 319 Q C -1.469 174.530 176.000 -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 1.032 nan 8.270 nan 0.000 0.388 320 A N 2.071 124.871 122.820 -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 -0.407 119.972 120.400 -0.036 0.000 2.211 321 K HA -0.037 4.284 4.320 0.001 0.000 0.203 321 K C 0.715 177.292 176.600 -0.038 0.000 1.050 321 K CA 1.392 57.654 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 -0.238 120.246 120.500 -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 31.973 30.300 -0.016 0.000 1.258 322 R HN -0.059 nan 8.270 nan 0.000 0.459 323 V N 0.348 120.256 119.914 -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 -0.277 175.790 176.094 -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 -0.504 175.646 176.117 0.055 0.000 1.056 325 I CA -0.552 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 0.633 175.895 175.510 -0.412 0.000 1.316 326 N CA -0.672 52.346 53.050 -0.053 0.000 0.931 326 N CB 0.682 39.126 38.487 -0.072 0.000 1.116 326 N HN 0.684 nan 8.380 nan 0.000 0.573 327 K N 0.120 120.288 120.400 -0.386 0.000 2.283 327 K HA -0.139 4.182 4.320 0.001 0.000 0.202 327 K C -0.619 175.655 176.600 -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 -1.273 118.926 120.400 -0.335 0.000 3.279 328 D HA 0.116 4.757 4.640 0.001 0.000 0.336 328 D C -1.038 175.149 176.300 -0.188 0.000 1.512 328 D CA -0.498 53.366 54.000 -0.228 0.000 0.754 328 D CB 0.676 41.393 40.800 -0.138 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 2.294 116.506 114.554 -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 1.627 69.878 68.868 -1.028 0.000 0.948 330 T HN 0.568 nan 8.240 nan 0.000 0.438 331 T N 3.945 118.349 114.554 -0.250 0.000 2.840 331 T HA 0.620 4.971 4.350 0.001 0.000 0.287 331 T C -0.605 174.073 174.700 -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 6.642 127.229 120.570 0.029 0.000 2.307 332 I HA 0.410 4.581 4.170 0.001 0.000 0.289 332 I C -0.114 176.021 176.117 0.030 0.000 1.021 332 I CA -0.682 60.647 61.300 0.049 0.000 1.224 332 I CB 1.109 39.170 38.000 0.102 0.000 1.376 332 I HN 0.537 nan 8.210 nan 0.000 0.470 333 I N 5.831 126.408 120.570 0.013 0.000 2.321 333 I HA 0.210 4.381 4.170 0.001 0.000 0.291 333 I C -0.267 175.853 176.117 0.004 0.000 0.998 333 I CA -0.398 60.905 61.300 0.006 0.000 1.227 333 I CB 0.971 38.970 38.000 -0.002 0.000 1.368 333 I HN 0.605 nan 8.210 nan 0.000 0.466 334 D N 4.893 125.296 120.400 0.005 0.000 3.620 334 D HA -0.112 4.529 4.640 0.001 0.000 0.237 334 D C 0.099 176.400 176.300 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 40.668 40.800 -0.004 0.000 0.891 334 D HN 0.824 nan 8.370 nan 0.000 0.412 335 G N 1.021 109.826 108.800 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 -0.368 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 1.865 121.785 119.914 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 1.152 63.459 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 1.004 109.813 108.800 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 -0.118 174.787 174.900 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 1.560 121.765 120.200 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 0.688 nan 8.360 nan 0.000 0.401 339 E N 1.876 122.077 120.200 0.003 0.000 2.233 339 E HA -0.304 4.046 4.350 0.001 0.000 0.199 339 E C 1.685 178.285 176.600 0.000 0.000 1.004 339 E CA 1.191 57.592 56.400 0.001 0.000 0.819 339 E CB -0.084 29.616 29.700 0.001 0.000 0.738 339 E HN 0.587 nan 8.360 nan 0.000 0.478 340 A N 1.634 124.454 122.820 0.000 0.000 1.841 340 A HA -0.073 4.248 4.320 0.001 0.000 0.214 340 A C 2.446 180.029 177.584 -0.002 0.000 1.195 340 A CA 1.648 53.685 52.037 -0.001 0.000 0.611 340 A CB -0.738 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 -0.059 122.761 122.820 -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 57.864 55.803 -0.004 0.000 0.862 343 Q CB -0.729 28.007 28.738 -0.003 0.000 0.905 343 Q HN 0.515 nan 8.270 nan 0.000 0.429 344 G N -0.108 108.689 108.800 -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 0.771 45.867 45.100 -0.007 0.000 0.780 344 G HN 0.370 nan 8.290 nan 0.000 0.537 345 R N 0.351 120.845 120.500 -0.011 0.000 2.105 345 R HA -0.054 4.287 4.340 0.001 0.000 0.239 345 R C 2.525 178.816 176.300 -0.015 0.000 1.135 345 R CA 1.617 57.708 56.100 -0.014 0.000 0.967 345 R CB -0.863 29.428 30.300 -0.015 0.000 0.861 345 R HN 0.238 nan 8.270 nan 0.000 0.442 346 V N 0.633 120.539 119.914 -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 1.914 64.206 62.300 -0.013 0.000 1.024 346 V CB -1.045 30.772 31.823 -0.010 0.000 0.648 346 V HN 0.550 nan 8.190 nan 0.000 0.447 347 A N -0.634 122.179 122.820 -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 2.133 54.164 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 -0.397 119.395 119.800 -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 0.395 120.952 120.570 -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 0.861 121.350 120.500 -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 30.262 30.300 -0.013 0.000 0.861 350 R HN 0.429 nan 8.270 nan 0.000 0.440 351 Q N -0.686 119.105 119.800 -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 0.762 56.557 55.803 -0.013 0.000 0.857 351 Q CB 0.219 28.950 28.738 -0.012 0.000 0.929 351 Q HN 0.396 nan 8.270 nan 0.000 0.453 352 Q N 0.581 120.369 119.800 -0.019 0.000 2.112 352 Q HA -0.196 4.145 4.340 0.001 0.000 0.206 352 Q C 2.088 178.075 176.000 -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 0.497 nan 8.270 nan 0.000 0.420 353 I N 1.033 121.589 120.570 -0.022 0.000 2.361 353 I HA -0.227 3.944 4.170 0.001 0.000 0.251 353 I C 2.170 178.278 176.117 -0.014 0.000 1.133 353 I CA 0.850 62.138 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 1.762 178.358 176.600 -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 0.276 176.872 176.600 -0.006 0.000 1.066 355 E CA -0.026 56.370 56.400 -0.007 0.000 0.871 355 E CB 0.127 29.822 29.700 -0.008 0.000 0.863 355 E HN 0.070 nan 8.360 nan 0.000 0.520 356 A N 1.745 124.561 122.820 -0.007 0.000 2.522 356 A HA 0.055 4.376 4.320 0.001 0.000 0.256 356 A C 1.265 178.851 177.584 0.003 0.000 1.086 356 A CA 0.209 52.243 52.037 -0.005 0.000 0.763 356 A CB -0.081 18.913 19.000 -0.010 0.000 1.024 356 A HN 0.237 nan 8.150 nan 0.000 0.502 357 T N -0.576 113.982 114.554 0.008 0.000 3.069 357 T HA 0.345 4.696 4.350 0.001 0.000 0.252 357 T C 0.529 175.242 174.700 0.022 0.000 1.053 357 T CA 0.481 62.589 62.100 0.012 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 2.270 122.711 120.400 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 1.541 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 -0.252 4.299 4.550 0.001 0.000 0.280 360 Y C 1.644 177.542 175.900 -0.003 0.000 1.163 360 Y CA 2.035 60.137 58.100 0.003 0.000 1.135 360 Y CB -0.480 37.983 38.460 0.005 0.000 0.970 360 Y HN -0.103 nan 8.280 nan 0.000 0.498 361 D N -0.760 119.632 120.400 -0.014 0.000 2.178 361 D HA -0.148 4.493 4.640 0.001 0.000 0.201 361 D C 2.251 178.484 176.300 -0.113 0.000 0.980 361 D CA 1.369 55.306 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 1.743 178.000 176.300 -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 57.405 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 0.716 56.857 56.287 -0.243 0.000 0.928 364 K CB -0.573 31.698 32.500 -0.382 0.000 0.716 364 K HN 0.200 nan 8.250 nan 0.000 0.446 365 L N 0.905 122.053 121.223 -0.125 0.000 2.027 365 L HA -0.180 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 1.165 55.955 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 -0.142 119.624 119.800 -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 2.067 178.652 176.600 -0.025 0.000 0.985 367 E CA 0.669 57.050 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 1.511 57.592 56.100 -0.032 0.000 0.963 368 R CB -0.622 29.650 30.300 -0.046 0.000 0.858 368 R HN 0.195 nan 8.270 nan 0.000 0.435 369 V N -1.114 118.786 119.914 -0.024 0.000 2.343 369 V HA -0.143 3.978 4.120 0.001 0.000 0.247 369 V C 2.354 178.442 176.094 -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 54.278 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 1.849 178.458 176.600 0.015 0.000 1.049 371 K CA 1.272 57.569 56.287 0.017 0.000 0.933 371 K CB -0.254 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 0.180 121.406 121.223 0.005 0.000 2.240 372 L HA 0.022 4.362 4.340 0.001 0.000 0.211 372 L C 1.789 178.660 176.870 0.002 0.000 1.106 372 L CA 1.334 56.175 54.840 0.002 0.000 0.793 372 L CB -0.156 41.899 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 2.064 179.649 177.584 0.001 0.000 1.192 373 A CA 0.555 52.592 52.037 -0.001 0.000 0.851 373 A CB -0.567 18.430 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 1.097 176.005 174.900 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 -1.392 107.423 108.800 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 32.959 31.823 0.001 0.000 1.009 376 V HN 2.167 nan 8.190 nan 0.000 0.429 377 A N 4.777 127.597 122.820 -0.001 0.000 2.401 377 A HA 0.714 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 0.635 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 -0.222 175.871 176.094 -0.002 0.000 1.025 378 V CA -0.209 62.090 62.300 -0.003 0.000 0.859 378 V CB 1.486 33.307 31.823 -0.004 0.000 0.988 378 V HN 0.738 nan 8.190 nan 0.000 0.431 379 I N 4.894 125.463 120.570 -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 1.290 39.291 38.000 0.002 0.000 1.345 379 I HN 0.499 nan 8.210 nan 0.000 0.461 380 K N 6.037 126.436 120.400 -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 -0.051 62.249 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 0.352 175.251 174.900 -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 -2.628 120.192 122.820 -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 1.037 53.073 52.037 -0.001 0.000 1.987 383 A CB -0.485 18.514 19.000 -0.001 0.000 2.500 383 A HN 2.607 nan 8.150 nan 0.000 0.982 384 A N -0.421 122.398 122.820 -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 -2.578 111.975 114.554 -0.002 0.000 0.554 385 T HA -0.067 4.284 4.350 0.001 0.000 0.772 385 T C 0.276 174.975 174.700 -0.001 0.000 0.992 385 T CA 1.339 63.438 62.100 -0.002 0.000 4.069 385 T CB -1.164 67.703 68.868 -0.002 0.000 2.299 385 T HN 1.894 nan 8.240 nan 0.000 0.397 386 E N 1.327 121.527 120.200 -0.001 0.000 2.130 386 E HA -0.157 4.193 4.350 0.001 0.000 0.196 386 E C 2.010 178.609 176.600 -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 29.573 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 2.163 178.256 176.094 -0.001 0.000 1.047 387 V CA 2.281 64.580 62.300 -0.001 0.000 1.015 387 V CB -0.638 31.184 31.823 -0.001 0.000 0.642 387 V HN 0.291 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 2.194 178.794 176.600 -0.001 0.000 0.988 388 E CA 1.392 57.792 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 56.868 55.300 -0.001 0.000 1.116 389 M CB -0.183 32.417 32.600 -0.001 0.000 1.348 389 M HN -0.122 nan 8.290 nan 0.000 0.407 390 K N 0.328 120.728 120.400 -0.000 0.000 2.147 390 K HA -0.180 4.141 4.320 0.001 0.000 0.205 390 K C 1.874 178.473 176.600 -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 0.606 nan 8.250 nan 0.000 0.446 391 E N 1.309 121.509 120.200 -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 0.948 57.347 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 1.049 121.449 120.400 -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 0.110 120.511 120.400 0.002 0.000 2.057 393 K HA -0.151 4.169 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 57.596 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 2.099 179.684 177.584 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 -0.685 119.815 120.500 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 57.642 56.100 0.003 0.000 0.952 395 R CB -0.666 29.635 30.300 0.002 0.000 0.850 395 R HN 0.396 nan 8.270 nan 0.000 0.433 396 V N 1.410 121.329 119.914 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 -0.487 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 -0.135 120.077 120.200 0.021 0.000 2.058 397 E HA -0.234 4.117 4.350 0.001 0.000 0.194 397 E C 2.036 178.669 176.600 0.054 0.000 0.997 397 E CA 1.587 58.007 56.400 0.033 0.000 0.801 397 E CB -0.186 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 0.327 120.746 120.400 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 55.298 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 1.201 124.046 122.820 0.043 0.000 1.917 399 A HA -0.201 4.120 4.320 0.001 0.000 0.219 399 A C 2.209 179.822 177.584 0.049 0.000 1.182 399 A CA 1.387 53.448 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 -0.849 120.405 121.223 0.051 0.000 2.017 400 L HA -0.199 4.142 4.340 0.001 0.000 0.208 400 L C 2.415 179.315 176.870 0.049 0.000 1.073 400 L CA 2.749 57.613 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 -0.273 118.795 119.070 -0.002 0.000 2.321 401 H HA -0.117 4.439 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 29.867 29.762 -0.002 0.000 1.379 401 H HN 0.476 nan 8.280 nan 0.000 0.501 402 A N -0.104 122.831 122.820 0.192 0.000 1.898 402 A HA -0.124 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 1.957 54.069 52.037 0.125 0.000 0.620 402 A CB -0.949 18.106 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 1.655 122.127 120.500 -0.047 0.000 2.070 404 R HA 0.053 4.394 4.340 0.001 0.000 0.233 404 R C 2.576 178.831 176.300 -0.075 0.000 1.137 404 R CA 1.939 57.992 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 0.547 123.315 122.820 -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 2.127 54.134 52.037 -0.049 0.000 0.623 405 A CB -0.858 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 -0.596 122.220 122.820 -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 0.028 119.935 119.914 -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 2.320 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 -0.570 119.621 120.200 -0.015 0.000 2.047 408 E HA -0.143 4.208 4.350 0.001 0.000 0.191 408 E C 1.596 178.193 176.600 -0.005 0.000 0.987 408 E CA 1.362 57.755 56.400 -0.012 0.000 0.799 408 E CB 0.134 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 -1.163 119.036 120.200 -0.002 0.000 4.156 409 E HA 0.403 4.754 4.350 0.001 0.000 0.223 409 E C 0.201 176.804 176.600 0.004 0.000 1.107 409 E CA -0.215 56.186 56.400 0.002 0.000 0.903 409 E CB 0.784 30.486 29.700 0.004 0.000 2.687 409 E HN 0.097 nan 8.360 nan 0.000 0.517 410 G N 0.272 109.075 108.800 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 -2.154 117.766 119.914 0.011 0.000 2.960 411 V HA 0.934 5.054 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 61.571 62.300 0.013 0.000 0.982 411 V CB 1.108 32.938 31.823 0.012 0.000 1.039 411 V HN 1.525 nan 8.190 nan 0.000 0.437 412 V N -1.284 118.640 119.914 0.015 0.000 3.160 412 V HA 1.007 5.128 4.120 0.001 0.000 0.310 412 V C 0.382 176.486 176.094 0.017 0.000 1.181 412 V CA -0.721 61.589 62.300 0.017 0.000 1.047 412 V CB 1.229 33.063 31.823 0.018 0.000 1.068 412 V HN 1.961 nan 8.190 nan 0.000 0.441 413 A N 0.773 123.605 122.820 0.020 0.000 2.511 413 A HA 0.666 4.987 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 52.696 52.037 0.018 0.000 0.763 413 A CB -0.369 18.646 19.000 0.025 0.000 1.001 413 A HN 1.964 nan 8.150 nan 0.000 0.498 414 G N 0.431 109.235 108.800 0.006 0.000 2.531 414 G HA2 0.515 4.476 3.960 0.001 0.000 0.253 414 G HA3 0.515 4.476 3.960 0.001 0.000 0.253 414 G C 1.119 176.020 174.900 0.002 0.000 1.439 414 G CA -0.050 45.052 45.100 0.004 0.000 1.056 414 G HN 2.239 nan 8.290 nan 0.000 0.555 415 G N -1.973 106.827 108.800 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 1.515 176.424 174.900 0.016 0.000 1.011 415 G CA 1.246 46.349 45.100 0.005 0.000 0.762 415 G HN 2.463 nan 8.290 nan 0.000 0.511 416 G N -2.416 106.393 108.800 0.015 0.000 2.168 416 G HA2 -0.127 3.834 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 1.879 176.792 174.900 0.021 0.000 0.977 416 G CA 1.934 47.045 45.100 0.018 0.000 0.659 416 G HN 2.224 nan 8.290 nan 0.000 0.533 417 V N -1.338 118.589 119.914 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 -0.555 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 0.795 123.631 122.820 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 2.383 54.435 52.037 0.026 0.000 0.624 418 A CB -0.796 18.217 19.000 0.022 0.000 0.822 418 A HN 0.614 nan 8.150 nan 0.000 0.444 419 L N -0.809 120.427 121.223 0.022 0.000 2.141 419 L HA -0.121 4.219 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 0.874 55.726 54.840 0.019 0.000 0.763 419 L CB -0.367 41.703 42.059 0.017 0.000 0.908 419 L HN 0.397 nan 8.230 nan 0.000 0.437 420 I N -0.812 119.774 120.570 0.026 0.000 2.353 420 I HA -0.219 3.952 4.170 0.001 0.000 0.248 420 I C 2.650 178.787 176.117 0.034 0.000 1.119 420 I CA 0.751 62.069 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 1.386 121.314 119.914 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 64.110 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 0.929 123.759 122.820 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 2.497 54.543 52.037 0.014 0.000 0.624 423 A CB -0.885 18.124 19.000 0.015 0.000 0.822 423 A HN 0.698 nan 8.150 nan 0.000 0.444 424 S N -0.031 115.680 115.700 0.019 0.000 2.399 424 S HA -0.157 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 1.462 59.673 58.200 0.018 0.000 0.983 424 S CB -0.385 62.829 63.200 0.024 0.000 0.803 424 S HN 0.616 nan 8.310 nan 0.000 0.480 425 K N 0.781 121.190 120.400 0.015 0.000 2.439 425 K HA 0.213 4.534 4.320 0.001 0.000 0.197 425 K C 1.030 177.636 176.600 0.009 0.000 1.041 425 K CA 0.552 56.846 56.287 0.012 0.000 0.970 425 K CB -0.214 32.294 32.500 0.012 0.000 0.773 425 K HN 0.456 nan 8.250 nan 0.000 0.479 426 L N -0.249 120.980 121.223 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 -0.200 54.644 54.840 0.006 0.000 0.962 426 L CB 0.029 42.091 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 4.114 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 1.776 53.817 52.037 0.006 0.000 0.645 427 A CB -0.215 18.789 19.000 0.007 0.000 0.807 427 A HN 0.360 nan 8.150 nan 0.000 0.453 428 D N -1.302 119.101 120.400 0.004 0.000 2.349 428 D HA 0.146 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 -0.245 53.756 54.000 0.003 0.000 0.847 428 D CB -0.071 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 -0.164 176.137 176.300 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 31.791 30.300 0.001 0.000 1.217 430 R HN 0.808 nan 8.270 nan 0.000 0.471 431 G N -0.293 108.507 108.800 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 0.071 174.972 174.900 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 -0.471 119.330 119.800 0.001 0.000 2.389 432 Q HA 0.125 4.466 4.340 0.001 0.000 0.204 432 Q C 0.008 176.009 176.000 0.001 0.000 0.944 432 Q CA 0.782 56.586 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 -3.179 115.522 118.700 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 -0.229 119.972 120.200 0.002 0.000 2.085 434 E HA -0.206 4.145 4.350 0.001 0.000 0.194 434 E C 0.926 177.527 176.600 0.002 0.000 0.994 434 E CA 2.077 58.478 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 1.322 55.324 54.000 0.003 0.000 0.834 435 D CB -0.281 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 0.079 119.881 119.800 0.003 0.000 2.119 436 Q HA -0.085 4.256 4.340 0.001 0.000 0.201 436 Q C 1.786 177.787 176.000 0.002 0.000 0.972 436 Q CA 0.680 56.485 55.803 0.003 0.000 0.847 436 Q CB 0.027 28.766 28.738 0.002 0.000 0.903 436 Q HN 0.245 nan 8.270 nan 0.000 0.433 437 N N 0.077 118.778 118.700 0.002 0.000 2.166 437 N HA -0.118 4.622 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 53.968 53.050 0.002 0.000 0.856 437 N CB -0.272 38.216 38.487 0.002 0.000 0.993 437 N HN 0.045 nan 8.380 nan 0.000 0.426 438 V N 0.942 120.858 119.914 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 2.011 64.313 62.300 0.003 0.000 1.036 438 V CB -1.220 30.605 31.823 0.003 0.000 0.654 438 V HN 0.338 nan 8.190 nan 0.000 0.451 439 G N -0.081 108.721 108.800 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 0.372 120.944 120.570 0.003 0.000 2.163 440 I HA -0.169 4.001 4.170 0.001 0.000 0.243 440 I C 2.700 178.820 176.117 0.004 0.000 1.085 440 I CA 1.116 62.418 61.300 0.003 0.000 1.347 440 I CB -0.081 37.921 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 0.942 57.232 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 0.211 nan 8.250 nan 0.000 0.446 442 V N 1.664 121.581 119.914 0.005 0.000 2.332 442 V HA -0.264 3.856 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 2.081 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 -0.316 122.507 122.820 0.006 0.000 1.898 443 A HA -0.094 4.227 4.320 0.001 0.000 0.216 443 A C 2.167 179.754 177.584 0.006 0.000 1.181 443 A CA 1.556 53.596 52.037 0.006 0.000 0.620 443 A CB -0.485 18.517 19.000 0.003 0.000 0.819 443 A HN 0.505 nan 8.150 nan 0.000 0.442 444 L N -1.267 119.959 121.223 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 -0.108 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 1.252 57.356 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 -0.152 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 1.222 53.265 52.037 0.009 0.000 0.644 446 A CB -0.375 18.631 19.000 0.010 0.000 0.805 446 A HN 0.308 nan 8.150 nan 0.000 0.449 447 M N -0.638 118.969 119.600 0.011 0.000 2.539 447 M HA -0.142 4.339 4.480 0.001 0.000 0.261 447 M C 1.442 177.749 176.300 0.013 0.000 1.069 447 M CA 1.172 56.480 55.300 0.012 0.000 1.081 447 M CB -0.244 32.363 32.600 0.012 0.000 1.412 447 M HN 0.483 nan 8.290 nan 0.000 0.482 448 E N -0.076 120.131 120.200 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 56.826 56.400 0.010 0.000 0.875 448 E CB 0.086 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 2.412 125.236 122.820 0.007 0.000 1.917 449 A HA -0.145 4.175 4.320 0.001 0.000 0.219 449 A C -0.339 177.249 177.584 0.006 0.000 1.182 449 A CA 1.355 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 -0.749 120.479 121.223 0.009 0.000 2.042 451 L HA -0.198 4.143 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 -0.308 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 -0.763 119.731 120.500 -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 1.750 57.837 56.100 -0.021 0.000 0.960 452 R CB -0.381 29.911 30.300 -0.014 0.000 0.856 452 R HN 0.381 nan 8.270 nan 0.000 0.436 453 Q N 0.992 120.789 119.800 -0.005 0.000 2.119 453 Q HA -0.060 4.281 4.340 0.001 0.000 0.201 453 Q C 1.801 177.802 176.000 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 -0.822 119.754 120.570 0.009 0.000 2.226 454 I HA -0.262 3.909 4.170 0.001 0.000 0.245 454 I C 1.955 178.091 176.117 0.032 0.000 1.100 454 I CA 0.868 62.181 61.300 0.022 0.000 1.374 454 I CB -0.222 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 1.569 63.859 62.300 -0.017 0.000 1.024 455 V CB -0.527 31.216 31.823 -0.134 0.000 0.651 455 V HN 0.343 nan 8.190 nan 0.000 0.449 456 L N 0.971 122.184 121.223 -0.016 0.000 2.042 456 L HA -0.183 4.157 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 56.827 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 1.530 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 -0.497 118.820 119.300 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 0.031 0.000 1.398 458 C CA 0.698 59.741 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 0.429 109.240 108.800 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 0.104 45.212 45.100 0.012 0.000 0.671 459 G HN 0.474 nan 8.290 nan 0.000 0.521 460 E N 0.183 120.385 120.200 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 -0.710 55.680 56.400 -0.017 0.000 0.904 460 E CB 0.624 30.300 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 4.495 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 -1.081 114.599 115.700 -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 1.240 121.140 119.914 -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 1.504 63.799 62.300 -0.009 0.000 1.006 464 V CB -0.748 31.071 31.823 -0.007 0.000 0.641 464 V HN 0.331 nan 8.190 nan 0.000 0.446 465 V N 0.435 120.316 119.914 -0.054 0.000 2.332 465 V HA -0.275 3.846 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 2.061 64.320 62.300 -0.070 0.000 1.038 465 V CB -1.253 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 0.422 123.228 122.820 -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 54.494 52.037 0.008 0.000 0.627 466 A CB -0.901 18.097 19.000 -0.004 0.000 0.818 466 A HN 0.634 nan 8.150 nan 0.000 0.445 467 N N -0.770 117.946 118.700 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 55.391 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 0.401 nan 8.380 nan 0.000 0.424 468 T N -0.486 114.103 114.554 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 0.053 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 1.658 121.706 119.914 0.222 0.000 2.343 469 V HA -0.171 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 0.240 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 0.213 120.690 120.400 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 57.609 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 1.210 110.061 108.800 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 0.389 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 4.445 3.960 0.001 0.000 0.232 472 G HA3 0.484 4.445 3.960 0.001 0.000 0.232 472 G C -0.484 174.454 174.900 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 0.392 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 0.360 109.210 108.800 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 -0.088 118.675 118.700 0.106 0.000 2.434 475 N HA 0.178 4.919 4.740 0.001 0.000 0.196 475 N C 0.355 175.953 175.510 0.147 0.000 1.183 475 N CA -0.019 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 1.589 121.924 120.300 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 0.041 58.193 58.100 0.086 0.000 1.417 476 Y CB 0.083 38.589 38.460 0.077 0.000 1.229 476 Y HN -0.010 nan 8.280 nan 0.000 0.532 477 G N 4.204 112.794 108.800 -0.350 0.000 2.663 477 G HA2 0.272 4.232 3.960 0.001 0.000 0.299 477 G HA3 0.272 4.232 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 1.613 121.728 120.300 -0.308 0.000 2.335 478 Y HA 0.529 5.080 4.550 0.001 0.000 0.339 478 Y C 0.109 175.838 175.900 -0.286 0.000 0.987 478 Y CA -1.313 56.515 58.100 -0.452 0.000 1.140 478 Y CB 1.331 39.505 38.460 -0.476 0.000 1.173 478 Y HN 0.421 nan 8.280 nan 0.000 0.486 479 N N 4.877 123.167 118.700 -0.684 0.000 2.439 479 N HA 0.144 4.885 4.740 0.001 0.000 0.243 479 N C 0.428 175.493 175.510 -0.742 0.000 1.088 479 N CA 0.539 53.282 53.050 -0.511 0.000 0.940 479 N CB 1.327 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 3.582 126.131 122.820 -0.453 0.000 2.067 480 A HA 0.005 4.326 4.320 0.001 0.000 0.219 480 A C 1.970 179.429 177.584 -0.208 0.000 1.158 480 A CA 1.460 53.322 52.037 -0.292 0.000 0.661 480 A CB -0.277 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 -0.001 4.320 4.320 0.001 0.000 0.215 481 A C 2.301 179.802 177.584 -0.138 0.000 1.176 481 A CA 2.131 54.091 52.037 -0.127 0.000 0.632 481 A CB -0.775 18.166 19.000 -0.099 0.000 0.819 481 A HN 0.723 nan 8.150 nan 0.000 0.445 482 T N -3.882 110.555 114.554 -0.195 0.000 3.022 482 T HA 0.191 4.541 4.350 0.001 0.000 0.250 482 T C 0.208 174.785 174.700 -0.206 0.000 1.060 482 T CA 0.652 62.654 62.100 -0.164 0.000 1.013 482 T CB -0.176 68.607 68.868 -0.143 0.000 0.982 482 T HN 0.517 nan 8.240 nan 0.000 0.508 483 E N 1.250 121.224 120.200 -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 -1.358 28.296 29.700 -0.077 0.000 1.286 483 E HN 0.660 nan 8.360 nan 0.000 0.394 484 E N -0.227 119.675 120.200 -0.497 0.000 2.317 484 E HA 0.409 4.760 4.350 0.001 0.000 0.270 484 E C -0.425 175.988 176.600 -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 30.667 29.700 -0.099 0.000 1.227 484 E HN 0.036 nan 8.360 nan 0.000 0.434 485 Y N 0.110 120.404 120.300 -0.011 0.000 2.326 485 Y HA 0.593 5.144 4.550 0.001 0.000 0.324 485 Y C 1.254 177.139 175.900 -0.026 0.000 1.291 485 Y CA 0.665 58.735 58.100 -0.051 0.000 1.348 485 Y CB 1.503 39.984 38.460 0.036 0.000 1.294 485 Y HN 0.673 nan 8.280 nan 0.000 0.525 486 G N 0.567 109.415 108.800 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 -1.902 173.065 174.900 0.113 0.000 1.287 486 G CA -1.191 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 1.080 119.851 118.700 0.117 0.000 2.401 487 N HA 0.131 4.871 4.740 0.001 0.000 0.255 487 N C 1.715 177.248 175.510 0.038 0.000 1.110 487 N CA -0.538 52.571 53.050 0.098 0.000 0.949 487 N CB 0.823 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 1.586 177.889 176.300 0.004 0.000 1.064 488 M CA 1.102 56.400 55.300 -0.003 0.000 1.102 488 M CB -0.610 31.988 32.600 -0.004 0.000 1.369 488 M HN 0.538 nan 8.290 nan 0.000 0.408 489 I N 0.477 121.058 120.570 0.018 0.000 2.202 489 I HA -0.238 3.932 4.170 0.001 0.000 0.242 489 I C 1.888 178.012 176.117 0.012 0.000 1.091 489 I CA 1.360 62.669 61.300 0.015 0.000 1.368 489 I CB -1.622 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 0.569 120.980 120.400 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 -0.650 118.949 119.600 -0.002 0.000 2.561 491 M HA 0.151 4.632 4.480 0.001 0.000 0.238 491 M C 0.879 177.167 176.300 -0.020 0.000 1.131 491 M CA 0.376 55.666 55.300 -0.017 0.000 1.046 491 M CB 0.513 33.092 32.600 -0.036 0.000 1.532 491 M HN 0.009 nan 8.290 nan 0.000 0.497 492 G N 2.455 111.248 108.800 -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 -0.209 44.885 45.100 -0.010 0.000 0.833 492 G HN 0.539 nan 8.290 nan 0.000 0.498 493 I N 0.719 121.279 120.570 -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 60.703 61.300 -0.020 0.000 1.193 493 I CB 0.636 38.615 38.000 -0.035 0.000 1.370 493 I HN 0.025 nan 8.210 nan 0.000 0.479 494 L N 4.596 125.818 121.223 -0.002 0.000 2.354 494 L HA 0.690 5.031 4.340 0.001 0.000 0.264 494 L C -1.042 175.833 176.870 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 0.972 121.379 120.400 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 43.256 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 -0.034 63.081 63.100 0.025 0.000 0.768 496 P CB 0.675 32.395 31.700 0.034 0.000 0.848 497 T N 2.433 116.999 114.554 0.020 0.000 2.778 497 T HA -0.228 4.123 4.350 0.001 0.000 0.269 497 T C 1.604 176.318 174.700 0.022 0.000 1.050 497 T CA 1.352 63.463 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 -0.319 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 0.076 120.023 119.914 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 2.524 178.819 176.300 -0.007 0.000 1.134 501 R CA 1.750 57.851 56.100 0.001 0.000 0.952 501 R CB -0.341 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 -0.114 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 1.115 59.364 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 1.411 124.301 122.820 0.118 0.000 1.908 503 A HA -0.071 4.250 4.320 0.001 0.000 0.218 503 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 0.627 503 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 0.445 504 L N -0.245 120.999 121.223 0.035 0.000 2.027 504 L HA -0.175 4.165 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 -1.812 117.938 119.800 -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 1.966 57.660 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 4.408 4.550 0.001 0.000 0.291 506 Y C 2.365 178.268 175.900 0.005 0.000 1.137 506 Y CA 0.861 58.965 58.100 0.005 0.000 1.181 506 Y CB -0.662 37.801 38.460 0.005 0.000 0.989 506 Y HN 0.129 nan 8.280 nan 0.000 0.527 507 A N 0.107 123.010 122.820 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 2.097 54.184 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 -0.848 121.989 122.820 0.029 0.000 1.933 508 A HA -0.088 4.232 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 2.201 54.245 52.037 0.012 0.000 0.628 508 A CB -0.958 18.037 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 2.126 122.081 119.914 0.069 0.000 2.453 510 V HA -0.014 4.106 4.120 0.001 0.000 0.247 510 V C 2.890 179.007 176.094 0.038 0.000 1.048 510 V CA 1.516 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 0.808 123.649 122.820 0.035 0.000 1.902 511 A HA -0.083 4.238 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 1.873 53.925 52.037 0.025 0.000 0.623 511 A CB -1.191 17.823 19.000 0.023 0.000 0.818 511 A HN 0.515 nan 8.150 nan 0.000 0.443 512 G N -0.196 108.616 108.800 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 0.944 55.796 54.840 0.021 0.000 0.745 513 L CB -0.342 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 2.304 178.615 176.300 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 62.726 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 0.392 nan 8.210 nan 0.000 0.432 516 T N -3.337 111.228 114.554 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 -0.358 68.520 68.868 0.018 0.000 1.070 516 T HN -0.081 nan 8.240 nan 0.000 0.561 517 T N 2.287 116.854 114.554 0.022 0.000 2.771 517 T HA 0.313 4.664 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 61.595 62.100 0.021 0.000 1.045 517 T CB 1.567 70.446 68.868 0.017 0.000 0.917 517 T HN 0.105 nan 8.240 nan 0.000 0.484 518 E N 0.599 120.820 120.200 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 0.158 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 0.473 119.750 119.300 -0.039 0.000 2.985 519 C HA 0.686 5.147 4.460 0.001 0.000 0.314 519 C C -1.353 173.547 174.990 -0.150 0.000 1.215 519 C CA -0.629 58.254 59.018 -0.224 0.000 1.414 519 C CB 0.553 28.099 27.740 -0.323 0.000 1.842 519 C HN 0.117 nan 8.230 nan 0.000 0.477 520 M N 4.869 124.376 119.600 -0.155 0.000 2.326 520 M HA 0.603 5.084 4.480 0.001 0.000 0.306 520 M C -1.116 175.239 176.300 0.091 0.000 1.054 520 M CA -0.556 54.766 55.300 0.036 0.000 0.922 520 M CB 2.116 34.855 32.600 0.231 0.000 1.632 520 M HN 0.403 nan 8.290 nan 0.000 0.436 521 V N 1.207 121.137 119.914 0.026 0.000 2.540 521 V HA 0.819 4.940 4.120 0.001 0.000 0.302 521 V C -0.315 175.717 176.094 -0.105 0.000 1.035 521 V CA -0.431 61.864 62.300 -0.009 0.000 0.873 521 V CB 2.014 33.815 31.823 -0.037 0.000 0.992 521 V HN 0.949 nan 8.190 nan 0.000 0.428 522 T N 1.621 116.067 114.554 -0.180 0.000 2.821 522 T HA 0.370 4.721 4.350 0.001 0.000 0.306 522 T C -1.515 173.068 174.700 -0.194 0.000 1.313 522 T CA -0.563 61.367 62.100 -0.282 0.000 1.012 522 T CB 1.893 70.403 68.868 -0.596 0.000 1.298 522 T HN 0.650 nan 8.240 nan 0.000 0.502 523 D N 1.779 122.082 120.400 -0.162 0.000 2.399 523 D HA 0.284 4.925 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 -0.105 53.836 54.000 -0.100 0.000 0.890 523 D CB 0.445 41.197 40.800 -0.081 0.000 1.201 523 D HN 0.278 nan 8.370 nan 0.000 0.432 524 L N 4.309 125.507 121.223 -0.042 0.000 2.453 524 L HA 0.164 4.505 4.340 0.001 0.000 0.272 524 L C -1.739 175.118 176.870 -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 0.049 nan 4.420 nan 0.000 0.252 525 P C -0.953 176.343 177.300 -0.007 0.000 1.635 525 P CA 0.349 63.440 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