REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1gru_1_H DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.578 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 3.561 126.377 122.820 -0.007 0.000 2.454 3 A HA 0.576 4.896 4.320 -0.000 0.000 0.260 3 A C 0.470 178.049 177.584 -0.008 0.000 1.106 3 A CA 0.053 52.089 52.037 -0.002 0.000 0.780 3 A CB 0.130 19.132 19.000 0.003 0.000 1.044 3 A HN 0.600 nan 8.150 nan 0.000 0.498 4 K N 1.486 121.884 120.400 -0.003 0.000 2.098 4 K HA 0.383 4.703 4.320 -0.000 0.000 0.244 4 K C -0.724 175.881 176.600 0.008 0.000 1.014 4 K CA -0.610 55.670 56.287 -0.012 0.000 0.917 4 K CB 0.782 33.279 32.500 -0.006 0.000 1.072 4 K HN 0.717 nan 8.250 nan 0.000 0.477 5 D N 0.517 120.914 120.400 -0.006 0.000 2.278 5 D HA 0.362 5.002 4.640 -0.000 0.000 0.245 5 D C -1.386 175.045 176.300 0.219 0.000 1.052 5 D CA -0.634 53.408 54.000 0.070 0.000 0.834 5 D CB 1.279 42.066 40.800 -0.021 0.000 1.194 5 D HN 0.051 nan 8.370 nan 0.000 0.481 6 V N 4.303 124.371 119.914 0.257 0.000 2.531 6 V HA 0.458 4.578 4.120 -0.000 0.000 0.301 6 V C 0.064 176.252 176.094 0.156 0.000 1.034 6 V CA -0.804 61.617 62.300 0.201 0.000 0.865 6 V CB 1.867 33.733 31.823 0.072 0.000 0.995 6 V HN 0.401 nan 8.190 nan 0.000 0.424 7 K N 3.488 123.836 120.400 -0.086 0.000 2.328 7 K HA 0.790 5.110 4.320 -0.000 0.000 0.246 7 K C -1.578 174.877 176.600 -0.242 0.000 0.955 7 K CA -0.563 55.633 56.287 -0.152 0.000 0.817 7 K CB 2.517 34.673 32.500 -0.573 0.000 1.208 7 K HN 0.419 nan 8.250 nan 0.000 0.432 8 F N -0.510 119.365 119.950 -0.126 0.000 2.654 8 F HA 0.420 4.947 4.527 -0.000 0.000 0.334 8 F C 1.359 177.106 175.800 -0.089 0.000 1.078 8 F CA -0.122 57.826 58.000 -0.086 0.000 0.986 8 F CB 0.790 39.761 39.000 -0.048 0.000 1.362 8 F HN 0.808 nan 8.300 nan 0.000 0.498 9 G N 1.455 110.356 108.800 0.169 0.000 2.672 9 G HA2 -0.460 3.500 3.960 -0.000 0.000 0.356 9 G HA3 -0.460 3.500 3.960 -0.000 0.000 0.356 9 G C 1.090 175.997 174.900 0.012 0.000 1.312 9 G CA 1.349 46.490 45.100 0.069 0.000 0.980 9 G HN 0.687 nan 8.290 nan 0.000 0.540 10 N N 1.189 119.892 118.700 0.005 0.000 2.043 10 N HA -0.043 4.697 4.740 -0.000 0.000 0.193 10 N C 1.849 177.334 175.510 -0.041 0.000 1.037 10 N CA 1.877 54.917 53.050 -0.016 0.000 0.851 10 N CB -0.622 37.859 38.487 -0.011 0.000 1.027 10 N HN 0.605 nan 8.380 nan 0.000 0.422 11 D N 0.099 120.478 120.400 -0.036 0.000 2.200 11 D HA -0.221 4.419 4.640 -0.000 0.000 0.192 11 D C 1.729 177.927 176.300 -0.169 0.000 1.008 11 D CA 1.788 55.743 54.000 -0.075 0.000 0.872 11 D CB -0.404 40.369 40.800 -0.045 0.000 0.923 11 D HN 0.380 nan 8.370 nan 0.000 0.447 12 A N 0.436 123.151 122.820 -0.175 0.000 1.841 12 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 12 A C 2.145 179.621 177.584 -0.179 0.000 1.195 12 A CA 1.383 53.254 52.037 -0.278 0.000 0.611 12 A CB -0.446 18.423 19.000 -0.219 0.000 0.835 12 A HN 0.078 nan 8.150 nan 0.000 0.443 13 R N -0.518 119.924 120.500 -0.098 0.000 2.096 13 R HA -0.139 4.201 4.340 -0.000 0.000 0.240 13 R C 2.070 178.341 176.300 -0.048 0.000 1.139 13 R CA 1.631 57.696 56.100 -0.058 0.000 0.952 13 R CB -0.862 29.419 30.300 -0.033 0.000 0.854 13 R HN 0.391 nan 8.270 nan 0.000 0.436 14 V N 1.765 121.649 119.914 -0.049 0.000 2.252 14 V HA -0.306 3.814 4.120 -0.000 0.000 0.249 14 V C 2.385 178.462 176.094 -0.028 0.000 1.056 14 V CA 1.755 64.035 62.300 -0.033 0.000 1.022 14 V CB -0.447 31.359 31.823 -0.029 0.000 0.641 14 V HN 0.251 nan 8.190 nan 0.000 0.445 15 K N -0.540 119.830 120.400 -0.050 0.000 2.020 15 K HA -0.168 4.152 4.320 -0.000 0.000 0.212 15 K C 2.147 178.753 176.600 0.009 0.000 1.050 15 K CA 1.824 58.102 56.287 -0.015 0.000 0.929 15 K CB -0.687 31.787 32.500 -0.045 0.000 0.714 15 K HN 0.411 nan 8.250 nan 0.000 0.443 16 M N 0.197 119.790 119.600 -0.012 0.000 2.144 16 M HA -0.231 4.249 4.480 -0.000 0.000 0.260 16 M C 2.198 178.502 176.300 0.007 0.000 1.067 16 M CA 1.274 56.578 55.300 0.006 0.000 1.095 16 M CB -0.326 32.268 32.600 -0.010 0.000 1.365 16 M HN 0.063 nan 8.290 nan 0.000 0.406 17 L N 0.296 121.519 121.223 -0.001 0.000 2.005 17 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 17 L C 2.359 179.233 176.870 0.007 0.000 1.072 17 L CA 1.868 56.709 54.840 0.002 0.000 0.744 17 L CB -0.558 41.499 42.059 -0.003 0.000 0.895 17 L HN 0.142 nan 8.230 nan 0.000 0.433 18 R N -0.495 120.011 120.500 0.009 0.000 2.083 18 R HA -0.112 4.228 4.340 -0.000 0.000 0.237 18 R C 2.213 178.523 176.300 0.017 0.000 1.137 18 R CA 1.256 57.363 56.100 0.013 0.000 0.951 18 R CB -1.286 29.024 30.300 0.017 0.000 0.851 18 R HN 0.574 nan 8.270 nan 0.000 0.434 19 G N 1.124 109.939 108.800 0.024 0.000 2.672 19 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.218 19 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.218 19 G C 1.453 176.362 174.900 0.016 0.000 1.238 19 G CA 1.319 46.435 45.100 0.026 0.000 0.791 19 G HN 0.296 nan 8.290 nan 0.000 0.606 20 V N 1.387 121.309 119.914 0.013 0.000 2.231 20 V HA -0.347 3.773 4.120 -0.000 0.000 0.250 20 V C 2.290 178.388 176.094 0.007 0.000 1.058 20 V CA 3.157 65.462 62.300 0.008 0.000 1.022 20 V CB -1.099 30.728 31.823 0.006 0.000 0.640 20 V HN 0.617 nan 8.190 nan 0.000 0.445 21 N N -0.492 118.213 118.700 0.007 0.000 2.073 21 N HA -0.247 4.493 4.740 -0.000 0.000 0.199 21 N C 1.793 177.306 175.510 0.006 0.000 1.023 21 N CA 2.196 55.249 53.050 0.006 0.000 0.880 21 N CB -0.426 38.064 38.487 0.006 0.000 1.052 21 N HN 0.484 nan 8.380 nan 0.000 0.449 22 V N 1.872 121.790 119.914 0.007 0.000 2.231 22 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 22 V C 2.284 178.380 176.094 0.004 0.000 1.054 22 V CA 1.499 63.803 62.300 0.006 0.000 1.015 22 V CB -0.739 31.088 31.823 0.007 0.000 0.638 22 V HN 0.424 nan 8.190 nan 0.000 0.444 23 L N 0.272 121.497 121.223 0.003 0.000 1.997 23 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 23 L C 2.495 179.366 176.870 0.001 0.000 1.074 23 L CA 3.005 57.846 54.840 0.001 0.000 0.763 23 L CB -1.185 40.874 42.059 -0.000 0.000 0.890 23 L HN 0.392 nan 8.230 nan 0.000 0.434 24 A N -0.693 122.128 122.820 0.002 0.000 1.898 24 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 24 A C 1.864 179.450 177.584 0.003 0.000 1.181 24 A CA 1.559 53.597 52.037 0.003 0.000 0.620 24 A CB -0.577 18.426 19.000 0.004 0.000 0.819 24 A HN 0.534 nan 8.150 nan 0.000 0.442 25 D N 0.021 120.423 120.400 0.003 0.000 2.219 25 D HA -0.013 4.627 4.640 -0.000 0.000 0.205 25 D C 2.012 178.314 176.300 0.002 0.000 0.970 25 D CA 1.332 55.334 54.000 0.003 0.000 0.851 25 D CB -0.147 40.655 40.800 0.004 0.000 0.943 25 D HN 0.454 nan 8.370 nan 0.000 0.488 26 A N 0.172 122.993 122.820 0.002 0.000 2.030 26 A HA 0.017 4.337 4.320 -0.000 0.000 0.215 26 A C 2.171 179.755 177.584 0.000 0.000 1.164 26 A CA 0.435 52.473 52.037 0.001 0.000 0.697 26 A CB -0.020 18.981 19.000 0.001 0.000 0.827 26 A HN 0.172 nan 8.150 nan 0.000 0.457 27 V N 0.663 120.577 119.914 -0.000 0.000 3.307 27 V HA -0.057 4.063 4.120 -0.000 0.000 0.253 27 V C 2.220 178.314 176.094 -0.000 0.000 1.149 27 V CA 1.723 64.022 62.300 -0.001 0.000 1.112 27 V CB -0.312 31.510 31.823 -0.002 0.000 0.777 27 V HN 0.758 nan 8.190 nan 0.000 0.464 28 K N 0.845 121.245 120.400 0.001 0.000 2.211 28 K HA -0.063 4.257 4.320 -0.000 0.000 0.203 28 K C 1.651 178.252 176.600 0.001 0.000 1.050 28 K CA 1.794 58.082 56.287 0.002 0.000 0.945 28 K CB -0.790 31.712 32.500 0.003 0.000 0.732 28 K HN 0.488 nan 8.250 nan 0.000 0.451 29 V N 0.150 120.064 119.914 0.001 0.000 3.241 29 V HA -0.086 4.034 4.120 -0.000 0.000 0.269 29 V C 1.604 177.698 176.094 -0.000 0.000 1.151 29 V CA 1.501 63.801 62.300 0.001 0.000 1.158 29 V CB -1.200 30.623 31.823 0.001 0.000 0.764 29 V HN 0.537 nan 8.190 nan 0.000 0.508 30 T N -3.629 110.925 114.554 -0.001 0.000 3.176 30 T HA 0.315 4.665 4.350 -0.000 0.000 0.263 30 T C 1.115 175.812 174.700 -0.005 0.000 1.021 30 T CA 0.202 62.300 62.100 -0.003 0.000 0.905 30 T CB 0.647 69.513 68.868 -0.003 0.000 1.057 30 T HN 0.303 nan 8.240 nan 0.000 0.558 31 L N 2.520 123.740 121.223 -0.004 0.000 2.022 31 L HA 0.470 4.810 4.340 -0.000 0.000 0.204 31 L C 1.626 178.490 176.870 -0.010 0.000 1.076 31 L CA 1.367 56.204 54.840 -0.006 0.000 0.749 31 L CB -1.273 40.784 42.059 -0.003 0.000 0.903 31 L HN 0.428 nan 8.230 nan 0.000 0.439 32 G N -0.589 108.205 108.800 -0.010 0.000 2.794 32 G HA2 0.074 4.034 3.960 -0.000 0.000 0.249 32 G HA3 0.074 4.034 3.960 -0.000 0.000 0.249 32 G C -1.709 173.176 174.900 -0.025 0.000 1.236 32 G CA 0.089 45.178 45.100 -0.019 0.000 0.880 32 G HN 0.389 nan 8.290 nan 0.000 0.586 33 P HA -0.001 nan 4.420 nan 0.000 0.223 33 P C 0.585 177.867 177.300 -0.031 0.000 1.151 33 P CA 1.074 64.151 63.100 -0.038 0.000 0.787 33 P CB 0.383 32.049 31.700 -0.057 0.000 0.788 34 K N 0.772 121.155 120.400 -0.029 0.000 3.129 34 K HA 0.334 4.654 4.320 -0.000 0.000 0.224 34 K C 0.815 177.409 176.600 -0.011 0.000 1.249 34 K CA -0.433 55.842 56.287 -0.019 0.000 1.177 34 K CB 0.516 33.005 32.500 -0.019 0.000 1.393 34 K HN 0.034 nan 8.250 nan 0.000 0.459 35 G N 0.823 109.616 108.800 -0.011 0.000 2.572 35 G HA2 0.185 4.145 3.960 -0.000 0.000 0.261 35 G HA3 0.185 4.145 3.960 -0.000 0.000 0.261 35 G C 0.087 174.985 174.900 -0.004 0.000 1.197 35 G CA -0.596 44.500 45.100 -0.006 0.000 0.870 35 G HN 0.180 nan 8.290 nan 0.000 0.548 36 R N -0.402 120.096 120.500 -0.002 0.000 2.541 36 R HA 0.259 4.599 4.340 -0.000 0.000 0.263 36 R C 0.447 176.746 176.300 -0.001 0.000 1.112 36 R CA -0.534 55.565 56.100 -0.001 0.000 1.170 36 R CB 0.304 30.604 30.300 0.000 0.000 1.167 36 R HN 0.855 nan 8.270 nan 0.000 0.582 37 N N -1.137 117.563 118.700 -0.001 0.000 2.335 37 N HA 0.495 5.235 4.740 -0.000 0.000 0.304 37 N C -0.957 174.553 175.510 0.000 0.000 1.135 37 N CA -0.830 52.220 53.050 -0.001 0.000 0.817 37 N CB 1.825 40.311 38.487 -0.001 0.000 1.294 37 N HN 0.036 nan 8.380 nan 0.000 0.497 38 V N 0.897 120.811 119.914 0.000 0.000 2.769 38 V HA 0.383 4.503 4.120 -0.000 0.000 0.312 38 V C -0.120 175.975 176.094 0.001 0.000 1.058 38 V CA -0.804 61.496 62.300 0.000 0.000 0.952 38 V CB 1.967 33.790 31.823 0.000 0.000 1.019 38 V HN 0.489 nan 8.190 nan 0.000 0.445 39 V N 4.792 124.707 119.914 0.001 0.000 2.357 39 V HA 0.404 4.524 4.120 -0.000 0.000 0.284 39 V C -0.571 175.524 176.094 0.002 0.000 1.018 39 V CA -0.542 61.759 62.300 0.002 0.000 0.841 39 V CB 1.435 33.258 31.823 0.001 0.000 0.991 39 V HN 0.487 nan 8.190 nan 0.000 0.437 40 L N 3.739 124.964 121.223 0.004 0.000 2.262 40 L HA 0.450 4.790 4.340 -0.000 0.000 0.288 40 L C 0.021 176.895 176.870 0.007 0.000 1.035 40 L CA -0.186 54.657 54.840 0.005 0.000 0.820 40 L CB 1.043 43.106 42.059 0.006 0.000 1.204 40 L HN 0.642 nan 8.230 nan 0.000 0.424 41 D N 3.373 123.775 120.400 0.003 0.000 2.425 41 D HA 0.088 4.728 4.640 -0.000 0.000 0.247 41 D C -0.034 176.271 176.300 0.009 0.000 1.147 41 D CA 0.403 54.404 54.000 0.002 0.000 0.879 41 D CB 0.905 41.701 40.800 -0.007 0.000 1.179 41 D HN 0.316 nan 8.370 nan 0.000 0.456 42 K N 2.004 122.416 120.400 0.019 0.000 2.130 42 K HA 0.242 4.562 4.320 -0.000 0.000 0.268 42 K C 1.043 177.658 176.600 0.025 0.000 0.983 42 K CA -0.606 55.708 56.287 0.046 0.000 0.893 42 K CB 1.341 33.884 32.500 0.071 0.000 1.066 42 K HN 0.370 nan 8.250 nan 0.000 0.450 43 S N 1.951 117.670 115.700 0.031 0.000 2.343 43 S HA -0.077 4.393 4.470 -0.000 0.000 0.219 43 S C 0.290 174.753 174.600 -0.228 0.000 1.033 43 S CA 1.218 59.332 58.200 -0.145 0.000 1.014 43 S CB -0.145 62.927 63.200 -0.213 0.000 0.915 43 S HN 0.392 nan 8.310 nan 0.000 0.435 44 F N 1.637 121.583 119.950 -0.006 0.000 2.405 44 F HA 0.609 5.136 4.527 -0.000 0.000 0.355 44 F C 1.143 176.940 175.800 -0.005 0.000 1.121 44 F CA -0.057 57.940 58.000 -0.005 0.000 1.112 44 F CB 0.481 39.478 39.000 -0.005 0.000 1.126 44 F HN 0.426 nan 8.300 nan 0.000 0.481 45 G N 1.463 110.344 108.800 0.136 0.000 2.527 45 G HA2 0.127 4.087 3.960 -0.000 0.000 0.227 45 G HA3 0.127 4.087 3.960 -0.000 0.000 0.227 45 G C -0.455 174.474 174.900 0.049 0.000 1.291 45 G CA -0.664 44.487 45.100 0.085 0.000 0.904 45 G HN 1.084 nan 8.290 nan 0.000 0.577 46 A N 2.137 124.981 122.820 0.040 0.000 2.477 46 A HA 0.652 4.972 4.320 -0.000 0.000 0.246 46 A C -0.563 177.036 177.584 0.025 0.000 1.078 46 A CA 0.237 52.289 52.037 0.026 0.000 0.770 46 A CB -0.226 18.787 19.000 0.021 0.000 1.011 46 A HN 0.911 nan 8.150 nan 0.000 0.494 47 P HA 0.166 nan 4.420 nan 0.000 0.272 47 P C -0.394 176.914 177.300 0.015 0.000 1.254 47 P CA 0.090 63.198 63.100 0.014 0.000 0.795 47 P CB 0.406 32.110 31.700 0.007 0.000 1.022 48 T N 1.043 115.605 114.554 0.013 0.000 2.792 48 T HA 0.531 4.881 4.350 -0.000 0.000 0.280 48 T C 0.231 174.936 174.700 0.007 0.000 0.990 48 T CA -0.336 61.771 62.100 0.011 0.000 0.960 48 T CB 0.363 69.239 68.868 0.013 0.000 0.939 48 T HN 0.194 nan 8.240 nan 0.000 0.439 49 I N 2.481 123.054 120.570 0.006 0.000 2.437 49 I HA 0.683 4.853 4.170 -0.000 0.000 0.298 49 I C 0.510 176.628 176.117 0.003 0.000 0.984 49 I CA -0.469 60.833 61.300 0.004 0.000 1.214 49 I CB 1.941 39.943 38.000 0.003 0.000 1.365 49 I HN 0.546 nan 8.210 nan 0.000 0.469 50 T N 3.586 118.141 114.554 0.002 0.000 2.786 50 T HA 0.349 4.699 4.350 -0.000 0.000 0.316 50 T C -0.581 174.119 174.700 -0.000 0.000 1.503 50 T CA -0.670 61.431 62.100 0.001 0.000 1.019 50 T CB 1.581 70.450 68.868 0.002 0.000 1.415 50 T HN 0.695 nan 8.240 nan 0.000 0.496 51 K N 0.961 121.360 120.400 -0.001 0.000 2.469 51 K HA 0.219 4.539 4.320 -0.000 0.000 0.204 51 K C -0.741 175.858 176.600 -0.003 0.000 1.047 51 K CA -0.284 56.002 56.287 -0.003 0.000 1.072 51 K CB 0.530 33.027 32.500 -0.004 0.000 0.863 51 K HN 0.443 nan 8.250 nan 0.000 0.530 52 D N 0.511 120.909 120.400 -0.002 0.000 2.441 52 D HA 0.103 4.743 4.640 -0.000 0.000 0.221 52 D C 1.276 177.574 176.300 -0.003 0.000 1.156 52 D CA -0.145 53.853 54.000 -0.003 0.000 0.896 52 D CB 0.968 41.767 40.800 -0.002 0.000 1.028 52 D HN 0.211 nan 8.370 nan 0.000 0.509 53 G N 2.445 111.243 108.800 -0.004 0.000 2.556 53 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 53 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 53 G C 1.616 176.513 174.900 -0.005 0.000 1.156 53 G CA 0.969 46.066 45.100 -0.004 0.000 0.766 53 G HN 0.484 nan 8.290 nan 0.000 0.583 54 V N 0.824 120.734 119.914 -0.006 0.000 2.282 54 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 54 V C 3.144 179.235 176.094 -0.005 0.000 1.057 54 V CA 2.444 64.740 62.300 -0.007 0.000 1.032 54 V CB -0.670 31.148 31.823 -0.008 0.000 0.645 54 V HN 0.412 nan 8.190 nan 0.000 0.447 55 S N -0.600 115.098 115.700 -0.003 0.000 2.348 55 S HA -0.167 4.303 4.470 -0.000 0.000 0.221 55 S C 1.978 176.578 174.600 -0.001 0.000 1.033 55 S CA 1.516 59.715 58.200 -0.001 0.000 1.010 55 S CB -0.273 62.928 63.200 0.001 0.000 0.891 55 S HN 0.348 nan 8.310 nan 0.000 0.442 56 V N 2.420 122.333 119.914 -0.002 0.000 2.215 56 V HA -0.334 3.786 4.120 -0.000 0.000 0.249 56 V C 2.672 178.764 176.094 -0.003 0.000 1.054 56 V CA 2.063 64.362 62.300 -0.002 0.000 1.012 56 V CB -1.453 30.369 31.823 -0.002 0.000 0.639 56 V HN 0.566 nan 8.190 nan 0.000 0.448 57 A N -0.038 122.779 122.820 -0.005 0.000 1.882 57 A HA -0.418 3.902 4.320 -0.000 0.000 0.220 57 A C 2.339 179.918 177.584 -0.008 0.000 1.253 57 A CA 3.164 55.197 52.037 -0.007 0.000 0.664 57 A CB -0.930 18.064 19.000 -0.010 0.000 0.838 57 A HN 0.569 nan 8.150 nan 0.000 0.460 58 R N -0.655 119.841 120.500 -0.007 0.000 2.159 58 R HA -0.279 4.061 4.340 -0.000 0.000 0.252 58 R C 1.937 178.234 176.300 -0.006 0.000 1.144 58 R CA 2.339 58.434 56.100 -0.007 0.000 0.961 58 R CB -0.327 29.971 30.300 -0.004 0.000 0.877 58 R HN 0.541 nan 8.270 nan 0.000 0.444 59 E N -0.106 120.091 120.200 -0.004 0.000 2.358 59 E HA 0.032 4.382 4.350 -0.000 0.000 0.195 59 E C -0.090 176.507 176.600 -0.005 0.000 1.010 59 E CA 0.215 56.613 56.400 -0.003 0.000 0.856 59 E CB 0.142 29.841 29.700 -0.001 0.000 0.795 59 E HN 0.244 nan 8.360 nan 0.000 0.504 60 I N 2.016 122.582 120.570 -0.006 0.000 2.517 60 I HA 0.116 4.286 4.170 -0.000 0.000 0.285 60 I C 0.198 176.310 176.117 -0.007 0.000 1.106 60 I CA 0.479 61.775 61.300 -0.006 0.000 1.402 60 I CB 0.124 38.121 38.000 -0.004 0.000 1.399 60 I HN 0.078 nan 8.210 nan 0.000 0.535 61 E N 7.491 127.687 120.200 -0.007 0.000 2.343 61 E HA 0.411 4.761 4.350 -0.000 0.000 0.288 61 E C -1.774 174.822 176.600 -0.007 0.000 0.907 61 E CA -0.557 55.837 56.400 -0.009 0.000 0.792 61 E CB 1.560 31.253 29.700 -0.013 0.000 1.275 61 E HN 0.464 nan 8.360 nan 0.000 0.402 62 L N 3.284 124.505 121.223 -0.004 0.000 2.416 62 L HA 0.393 4.733 4.340 -0.000 0.000 0.262 62 L C 1.585 178.451 176.870 -0.006 0.000 1.093 62 L CA -0.454 54.386 54.840 -0.000 0.000 0.801 62 L CB 1.134 43.199 42.059 0.010 0.000 1.191 62 L HN 0.741 nan 8.230 nan 0.000 0.459 63 E N 0.374 120.572 120.200 -0.004 0.000 2.076 63 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 63 E C 0.472 177.064 176.600 -0.012 0.000 0.979 63 E CA 0.295 56.689 56.400 -0.011 0.000 0.807 63 E CB 0.289 29.985 29.700 -0.007 0.000 0.761 63 E HN 0.651 nan 8.360 nan 0.000 0.454 64 D N 1.601 122.006 120.400 0.007 0.000 2.363 64 D HA -0.017 4.623 4.640 -0.000 0.000 0.263 64 D C -0.501 175.805 176.300 0.010 0.000 1.258 64 D CA 0.173 54.186 54.000 0.021 0.000 0.907 64 D CB 0.583 41.421 40.800 0.062 0.000 1.107 64 D HN 0.069 nan 8.370 nan 0.000 0.495 65 K N 2.660 123.018 120.400 -0.070 0.000 2.188 65 K HA 0.050 4.370 4.320 -0.000 0.000 0.246 65 K C 0.675 177.262 176.600 -0.021 0.000 1.026 65 K CA -0.461 55.742 56.287 -0.139 0.000 0.871 65 K CB 0.594 32.900 32.500 -0.323 0.000 1.042 65 K HN 0.375 nan 8.250 nan 0.000 0.509 66 F N -1.119 118.821 119.950 -0.016 0.000 2.537 66 F HA -0.381 4.146 4.527 0.000 0.000 0.730 66 F C 1.820 177.612 175.800 -0.014 0.000 0.486 66 F CA 1.925 59.914 58.000 -0.017 0.000 0.752 66 F CB -1.384 37.609 39.000 -0.012 0.000 1.614 66 F HN 0.727 nan 8.300 nan 0.000 0.273 67 E N 0.075 120.413 120.200 0.230 0.000 2.038 67 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 67 E C 1.619 178.263 176.600 0.074 0.000 1.000 67 E CA 1.559 58.026 56.400 0.112 0.000 0.803 67 E CB -0.412 29.337 29.700 0.082 0.000 0.750 67 E HN 0.536 nan 8.360 nan 0.000 0.448 68 N N 0.494 119.229 118.700 0.058 0.000 2.149 68 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 68 N C 1.773 177.300 175.510 0.027 0.000 1.019 68 N CA 1.499 54.565 53.050 0.026 0.000 0.857 68 N CB 0.003 38.491 38.487 0.002 0.000 0.997 68 N HN 0.096 nan 8.380 nan 0.000 0.426 69 M N -0.524 119.105 119.600 0.048 0.000 2.084 69 M HA -0.076 4.404 4.480 -0.000 0.000 0.259 69 M C 2.372 178.693 176.300 0.035 0.000 1.072 69 M CA 1.850 57.177 55.300 0.044 0.000 1.107 69 M CB -1.219 31.432 32.600 0.084 0.000 1.299 69 M HN 0.311 nan 8.290 nan 0.000 0.413 70 G N 0.266 109.094 108.800 0.047 0.000 2.606 70 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.221 70 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.221 70 G C 1.606 176.515 174.900 0.014 0.000 1.152 70 G CA 1.799 46.915 45.100 0.027 0.000 0.765 70 G HN 0.593 nan 8.290 nan 0.000 0.595 71 A N -0.263 122.565 122.820 0.015 0.000 1.841 71 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 71 A C 2.414 179.996 177.584 -0.003 0.000 1.195 71 A CA 2.111 54.151 52.037 0.005 0.000 0.611 71 A CB -0.550 18.454 19.000 0.005 0.000 0.835 71 A HN 0.320 nan 8.150 nan 0.000 0.443 72 Q N -0.424 119.374 119.800 -0.003 0.000 2.152 72 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 72 Q C 2.134 178.123 176.000 -0.018 0.000 0.985 72 Q CA 1.886 57.682 55.803 -0.012 0.000 0.863 72 Q CB -0.654 28.078 28.738 -0.011 0.000 0.904 72 Q HN 0.793 nan 8.270 nan 0.000 0.422 73 M N -0.435 119.158 119.600 -0.012 0.000 2.149 73 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 73 M C 2.234 178.516 176.300 -0.030 0.000 1.064 73 M CA 1.179 56.468 55.300 -0.018 0.000 1.102 73 M CB -0.317 32.279 32.600 -0.006 0.000 1.369 73 M HN -0.011 nan 8.290 nan 0.000 0.408 74 V N 0.307 120.207 119.914 -0.023 0.000 2.239 74 V HA -0.227 3.893 4.120 -0.000 0.000 0.242 74 V C 2.140 178.207 176.094 -0.045 0.000 1.038 74 V CA 1.713 63.996 62.300 -0.029 0.000 1.002 74 V CB -0.735 31.080 31.823 -0.014 0.000 0.641 74 V HN 0.396 nan 8.190 nan 0.000 0.449 75 K N -0.015 120.364 120.400 -0.035 0.000 2.097 75 K HA -0.348 3.972 4.320 -0.000 0.000 0.214 75 K C 2.141 178.704 176.600 -0.063 0.000 1.052 75 K CA 2.429 58.692 56.287 -0.040 0.000 0.932 75 K CB -0.323 32.160 32.500 -0.028 0.000 0.716 75 K HN 0.599 nan 8.250 nan 0.000 0.455 76 E N 0.640 120.800 120.200 -0.067 0.000 2.005 76 E HA -0.220 4.130 4.350 -0.000 0.000 0.198 76 E C 2.043 178.547 176.600 -0.159 0.000 1.010 76 E CA 1.684 58.030 56.400 -0.090 0.000 0.825 76 E CB -0.131 29.523 29.700 -0.077 0.000 0.769 76 E HN 0.160 nan 8.360 nan 0.000 0.456 77 V N 0.716 120.514 119.914 -0.194 0.000 2.407 77 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 77 V C 2.217 178.081 176.094 -0.383 0.000 1.055 77 V CA 2.197 64.272 62.300 -0.375 0.000 1.049 77 V CB -0.474 31.169 31.823 -0.299 0.000 0.662 77 V HN 0.485 nan 8.190 nan 0.000 0.455 78 A N -0.985 121.730 122.820 -0.175 0.000 1.972 78 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 78 A C 2.528 180.056 177.584 -0.093 0.000 1.169 78 A CA 2.204 54.186 52.037 -0.091 0.000 0.635 78 A CB -0.834 18.141 19.000 -0.041 0.000 0.810 78 A HN 0.619 nan 8.150 nan 0.000 0.446 79 S N -0.333 115.298 115.700 -0.114 0.000 2.345 79 S HA -0.164 4.306 4.470 -0.000 0.000 0.220 79 S C 2.016 176.556 174.600 -0.101 0.000 1.031 79 S CA 1.566 59.717 58.200 -0.083 0.000 0.996 79 S CB -0.331 62.828 63.200 -0.069 0.000 0.882 79 S HN 0.595 nan 8.310 nan 0.000 0.445 80 K N 1.125 121.402 120.400 -0.204 0.000 2.127 80 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 80 K C 2.313 178.902 176.600 -0.019 0.000 1.047 80 K CA 1.269 57.424 56.287 -0.219 0.000 0.927 80 K CB -0.523 31.643 32.500 -0.557 0.000 0.716 80 K HN 0.472 nan 8.250 nan 0.000 0.450 81 A N 2.481 125.284 122.820 -0.028 0.000 1.834 81 A HA -0.287 4.033 4.320 -0.000 0.000 0.216 81 A C 2.080 179.753 177.584 0.149 0.000 1.203 81 A CA 1.976 54.221 52.037 0.346 0.000 0.621 81 A CB -0.996 18.179 19.000 0.291 0.000 0.841 81 A HN 0.388 nan 8.150 nan 0.000 0.446 82 N N 0.297 119.025 118.700 0.047 0.000 2.060 82 N HA -0.248 4.492 4.740 -0.000 0.000 0.195 82 N C 1.221 176.724 175.510 -0.012 0.000 1.028 82 N CA 2.231 55.273 53.050 -0.012 0.000 0.861 82 N CB -0.595 37.869 38.487 -0.038 0.000 1.029 82 N HN 0.412 nan 8.380 nan 0.000 0.428 83 D N 0.201 120.609 120.400 0.013 0.000 2.170 83 D HA -0.133 4.507 4.640 -0.000 0.000 0.193 83 D C 0.698 177.030 176.300 0.052 0.000 1.004 83 D CA 1.613 55.629 54.000 0.027 0.000 0.860 83 D CB -0.331 40.484 40.800 0.025 0.000 0.931 83 D HN 0.473 nan 8.370 nan 0.000 0.448 84 A N -1.475 121.399 122.820 0.090 0.000 2.842 84 A HA 0.687 5.007 4.320 -0.000 0.000 0.298 84 A C 0.861 178.476 177.584 0.052 0.000 1.293 84 A CA 0.529 52.616 52.037 0.084 0.000 0.959 84 A CB 0.381 19.451 19.000 0.117 0.000 1.119 84 A HN 0.137 nan 8.150 nan 0.000 0.564 85 A N -2.433 120.398 122.820 0.017 0.000 2.452 85 A HA 0.450 4.770 4.320 -0.000 0.000 0.147 85 A C 1.508 179.043 177.584 -0.082 0.000 1.842 85 A CA 0.874 52.907 52.037 -0.007 0.000 1.336 85 A CB -0.642 18.360 19.000 0.002 0.000 1.524 85 A HN 2.003 nan 8.150 nan 0.000 0.369 86 G N -0.878 107.803 108.800 -0.198 0.000 2.175 86 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.244 86 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.244 86 G C -0.180 174.542 174.900 -0.297 0.000 0.982 86 G CA 0.883 45.678 45.100 -0.507 0.000 0.641 86 G HN 1.146 nan 8.290 nan 0.000 0.527 87 D N -2.899 117.418 120.400 -0.138 0.000 2.804 87 D HA 0.496 5.136 4.640 -0.000 0.000 0.309 87 D C 1.000 177.281 176.300 -0.032 0.000 1.311 87 D CA 1.148 55.101 54.000 -0.078 0.000 0.765 87 D CB 0.501 41.265 40.800 -0.060 0.000 1.293 87 D HN 1.352 nan 8.370 nan 0.000 0.434 88 G N -0.431 108.359 108.800 -0.016 0.000 2.232 88 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.226 88 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.226 88 G C 1.150 176.056 174.900 0.011 0.000 0.996 88 G CA 1.176 46.279 45.100 0.004 0.000 0.626 88 G HN 0.594 nan 8.290 nan 0.000 0.509 89 T N 1.273 115.827 114.554 0.001 0.000 2.635 89 T HA -0.287 4.063 4.350 -0.000 0.000 0.265 89 T C 2.368 177.068 174.700 -0.001 0.000 1.058 89 T CA 2.912 65.010 62.100 -0.003 0.000 1.162 89 T CB -0.932 67.927 68.868 -0.016 0.000 0.859 89 T HN 0.591 nan 8.240 nan 0.000 0.449 90 T N 1.718 116.270 114.554 -0.003 0.000 2.639 90 T HA -0.114 4.236 4.350 -0.000 0.000 0.261 90 T C 2.353 177.055 174.700 0.005 0.000 1.053 90 T CA 1.794 63.894 62.100 -0.001 0.000 1.158 90 T CB -1.027 67.839 68.868 -0.003 0.000 0.863 90 T HN 0.449 nan 8.240 nan 0.000 0.413 91 T N 2.387 116.945 114.554 0.006 0.000 2.620 91 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 91 T C 2.308 177.019 174.700 0.019 0.000 1.044 91 T CA 1.606 63.712 62.100 0.011 0.000 1.161 91 T CB -0.828 68.046 68.868 0.010 0.000 0.862 91 T HN 0.464 nan 8.240 nan 0.000 0.438 92 A N 1.256 124.093 122.820 0.028 0.000 1.873 92 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 92 A C 2.597 180.199 177.584 0.030 0.000 1.193 92 A CA 2.543 54.607 52.037 0.045 0.000 0.629 92 A CB -1.502 17.538 19.000 0.067 0.000 0.826 92 A HN 0.520 nan 8.150 nan 0.000 0.447 93 T N -0.069 114.494 114.554 0.016 0.000 2.635 93 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 93 T C 1.903 176.609 174.700 0.011 0.000 1.040 93 T CA 1.899 64.004 62.100 0.009 0.000 1.156 93 T CB -0.739 68.130 68.868 0.002 0.000 0.863 93 T HN 0.204 nan 8.240 nan 0.000 0.430 94 V N 1.649 121.569 119.914 0.010 0.000 2.250 94 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 94 V C 2.528 178.629 176.094 0.012 0.000 1.060 94 V CA 1.822 64.128 62.300 0.010 0.000 1.030 94 V CB -0.902 30.926 31.823 0.009 0.000 0.643 94 V HN 0.416 nan 8.190 nan 0.000 0.445 95 L N -0.028 121.205 121.223 0.016 0.000 2.017 95 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 95 L C 2.802 179.683 176.870 0.019 0.000 1.073 95 L CA 1.541 56.392 54.840 0.019 0.000 0.745 95 L CB -0.966 41.107 42.059 0.024 0.000 0.894 95 L HN 0.357 nan 8.230 nan 0.000 0.432 96 A N -0.211 122.622 122.820 0.022 0.000 1.881 96 A HA -0.389 3.931 4.320 -0.000 0.000 0.219 96 A C 2.273 179.866 177.584 0.015 0.000 1.215 96 A CA 2.550 54.599 52.037 0.021 0.000 0.648 96 A CB -0.925 18.085 19.000 0.017 0.000 0.832 96 A HN 0.548 nan 8.150 nan 0.000 0.455 97 Q N -0.803 119.004 119.800 0.011 0.000 1.985 97 Q HA -0.186 4.154 4.340 -0.000 0.000 0.207 97 Q C 2.267 178.273 176.000 0.009 0.000 0.996 97 Q CA 2.207 58.016 55.803 0.009 0.000 0.851 97 Q CB -0.491 28.251 28.738 0.007 0.000 0.921 97 Q HN 0.626 nan 8.270 nan 0.000 0.418 98 A N 1.005 123.831 122.820 0.010 0.000 1.893 98 A HA -0.305 4.015 4.320 -0.000 0.000 0.222 98 A C 2.021 179.611 177.584 0.010 0.000 1.309 98 A CA 2.346 54.389 52.037 0.010 0.000 0.681 98 A CB -1.268 17.739 19.000 0.011 0.000 0.842 98 A HN 0.560 nan 8.150 nan 0.000 0.468 99 I N -0.540 120.037 120.570 0.012 0.000 2.072 99 I HA -0.274 3.896 4.170 -0.000 0.000 0.235 99 I C 2.403 178.526 176.117 0.009 0.000 1.058 99 I CA 1.754 63.060 61.300 0.011 0.000 1.320 99 I CB -0.571 37.438 38.000 0.014 0.000 1.047 99 I HN 0.376 nan 8.210 nan 0.000 0.397 100 I N 0.657 121.233 120.570 0.010 0.000 2.147 100 I HA -0.411 3.759 4.170 -0.000 0.000 0.245 100 I C 2.592 178.713 176.117 0.005 0.000 1.059 100 I CA 2.116 63.421 61.300 0.007 0.000 1.320 100 I CB -1.087 36.917 38.000 0.007 0.000 1.021 100 I HN 0.394 nan 8.210 nan 0.000 0.415 101 T N 0.260 114.817 114.554 0.006 0.000 2.580 101 T HA -0.195 4.155 4.350 -0.000 0.000 0.265 101 T C 1.807 176.509 174.700 0.004 0.000 1.063 101 T CA 1.571 63.673 62.100 0.004 0.000 1.170 101 T CB -0.289 68.582 68.868 0.005 0.000 0.863 101 T HN 0.336 nan 8.240 nan 0.000 0.418 102 E N 0.922 121.125 120.200 0.005 0.000 2.017 102 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 102 E C 2.675 179.278 176.600 0.004 0.000 0.997 102 E CA 1.397 57.800 56.400 0.004 0.000 0.804 102 E CB -1.136 28.567 29.700 0.005 0.000 0.757 102 E HN 0.569 nan 8.360 nan 0.000 0.448 103 G N 0.897 109.700 108.800 0.005 0.000 2.499 103 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.221 103 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.221 103 G C 1.497 176.399 174.900 0.003 0.000 1.109 103 G CA 0.502 45.604 45.100 0.005 0.000 0.749 103 G HN 0.135 nan 8.290 nan 0.000 0.568 104 L N -0.248 120.977 121.223 0.002 0.000 2.307 104 L HA 0.288 4.628 4.340 -0.000 0.000 0.211 104 L C 2.594 179.463 176.870 -0.001 0.000 1.099 104 L CA 1.103 55.944 54.840 0.000 0.000 0.816 104 L CB -0.178 41.881 42.059 -0.001 0.000 0.952 104 L HN 0.133 nan 8.230 nan 0.000 0.455 105 K N -0.881 119.520 120.400 0.000 0.000 2.031 105 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 105 K C 2.118 178.718 176.600 0.000 0.000 1.049 105 K CA 1.143 57.430 56.287 0.000 0.000 0.939 105 K CB -0.320 32.181 32.500 0.001 0.000 0.717 105 K HN 0.291 nan 8.250 nan 0.000 0.438 106 A N 1.822 124.643 122.820 0.001 0.000 1.859 106 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 106 A C 2.483 180.068 177.584 0.001 0.000 1.209 106 A CA 2.633 54.671 52.037 0.002 0.000 0.639 106 A CB -1.419 17.582 19.000 0.002 0.000 0.835 106 A HN 0.208 nan 8.150 nan 0.000 0.450 107 V N -2.048 117.867 119.914 0.002 0.000 2.278 107 V HA -0.246 3.874 4.120 -0.000 0.000 0.251 107 V C 2.529 178.623 176.094 0.001 0.000 1.062 107 V CA 2.484 64.785 62.300 0.002 0.000 1.038 107 V CB -1.742 30.082 31.823 0.002 0.000 0.646 107 V HN 0.737 nan 8.190 nan 0.000 0.447 108 A N 0.061 122.881 122.820 -0.000 0.000 2.168 108 A HA 0.432 4.752 4.320 -0.000 0.000 0.215 108 A C 2.276 179.859 177.584 -0.001 0.000 1.152 108 A CA 1.471 53.507 52.037 -0.002 0.000 0.716 108 A CB -0.689 18.309 19.000 -0.003 0.000 0.794 108 A HN 1.046 nan 8.150 nan 0.000 0.465 109 A N -2.077 120.743 122.820 -0.001 0.000 2.132 109 A HA 0.434 4.754 4.320 -0.000 0.000 0.213 109 A C 1.725 179.308 177.584 -0.001 0.000 1.154 109 A CA 1.405 53.442 52.037 -0.001 0.000 0.753 109 A CB -0.305 18.695 19.000 0.000 0.000 0.826 109 A HN 1.587 nan 8.150 nan 0.000 0.469 110 G N -2.107 106.693 108.800 -0.000 0.000 2.421 110 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.188 110 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.188 110 G C 0.245 175.146 174.900 0.001 0.000 1.001 110 G CA -0.024 45.075 45.100 -0.000 0.000 0.693 110 G HN 0.270 nan 8.290 nan 0.000 0.479 111 M N 1.443 121.044 119.600 0.001 0.000 2.245 111 M HA 0.246 4.726 4.480 -0.000 0.000 0.330 111 M C 0.725 177.027 176.300 0.003 0.000 1.098 111 M CA -0.255 55.046 55.300 0.002 0.000 1.172 111 M CB 0.327 32.929 32.600 0.002 0.000 1.467 111 M HN 0.249 nan 8.290 nan 0.000 0.454 112 N N 2.426 121.128 118.700 0.003 0.000 2.442 112 N HA 0.109 4.849 4.740 -0.000 0.000 0.265 112 N C -2.255 173.258 175.510 0.005 0.000 1.138 112 N CA -1.388 51.665 53.050 0.004 0.000 0.956 112 N CB 1.197 39.686 38.487 0.004 0.000 1.067 112 N HN 0.258 nan 8.380 nan 0.000 0.474 113 P HA -0.043 nan 4.420 nan 0.000 0.216 113 P C 1.476 178.780 177.300 0.006 0.000 1.153 113 P CA 0.876 63.980 63.100 0.006 0.000 0.844 113 P CB 0.203 31.907 31.700 0.007 0.000 0.787 114 M N -0.267 119.336 119.600 0.006 0.000 2.149 114 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 114 M C 1.357 177.661 176.300 0.006 0.000 1.064 114 M CA 1.783 57.087 55.300 0.007 0.000 1.102 114 M CB -1.185 31.419 32.600 0.007 0.000 1.369 114 M HN -0.148 nan 8.290 nan 0.000 0.408 115 D N -0.668 119.735 120.400 0.005 0.000 2.091 115 D HA -0.082 4.558 4.640 -0.000 0.000 0.199 115 D C 2.118 178.421 176.300 0.005 0.000 0.980 115 D CA 1.217 55.219 54.000 0.005 0.000 0.831 115 D CB -0.370 40.432 40.800 0.004 0.000 0.987 115 D HN 0.334 nan 8.370 nan 0.000 0.460 116 L N 1.134 122.360 121.223 0.005 0.000 2.010 116 L HA -0.265 4.075 4.340 -0.000 0.000 0.219 116 L C 2.631 179.505 176.870 0.006 0.000 1.077 116 L CA 1.527 56.370 54.840 0.005 0.000 0.773 116 L CB -0.586 41.477 42.059 0.005 0.000 0.892 116 L HN 0.048 nan 8.230 nan 0.000 0.436 117 K N 0.428 120.832 120.400 0.007 0.000 2.001 117 K HA -0.276 4.044 4.320 -0.000 0.000 0.214 117 K C 2.316 178.921 176.600 0.007 0.000 1.050 117 K CA 1.873 58.165 56.287 0.008 0.000 0.934 117 K CB -0.158 32.347 32.500 0.009 0.000 0.718 117 K HN 0.100 nan 8.250 nan 0.000 0.443 118 R N -0.158 120.345 120.500 0.006 0.000 2.122 118 R HA -0.177 4.163 4.340 -0.000 0.000 0.236 118 R C 2.383 178.686 176.300 0.005 0.000 1.129 118 R CA 2.201 58.304 56.100 0.005 0.000 0.925 118 R CB -1.025 29.277 30.300 0.005 0.000 0.850 118 R HN 0.479 nan 8.270 nan 0.000 0.431 119 G N 0.901 109.704 108.800 0.005 0.000 2.547 119 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.221 119 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.221 119 G C 1.474 176.377 174.900 0.005 0.000 1.140 119 G CA 1.427 46.530 45.100 0.005 0.000 0.760 119 G HN 0.353 nan 8.290 nan 0.000 0.583 120 I N 0.862 121.435 120.570 0.006 0.000 2.072 120 I HA -0.144 4.026 4.170 -0.000 0.000 0.235 120 I C 2.439 178.559 176.117 0.006 0.000 1.058 120 I CA 1.460 62.764 61.300 0.007 0.000 1.320 120 I CB -0.406 37.599 38.000 0.009 0.000 1.047 120 I HN 0.092 nan 8.210 nan 0.000 0.397 121 D N 1.021 121.425 120.400 0.006 0.000 2.191 121 D HA -0.286 4.354 4.640 -0.000 0.000 0.195 121 D C 1.944 178.245 176.300 0.002 0.000 1.003 121 D CA 1.572 55.575 54.000 0.004 0.000 0.867 121 D CB -0.337 40.466 40.800 0.005 0.000 0.926 121 D HN 0.387 nan 8.370 nan 0.000 0.450 122 K N 0.856 121.258 120.400 0.002 0.000 1.973 122 K HA -0.144 4.176 4.320 -0.000 0.000 0.212 122 K C 2.236 178.837 176.600 0.001 0.000 1.047 122 K CA 1.442 57.730 56.287 0.001 0.000 0.937 122 K CB -0.200 32.301 32.500 0.002 0.000 0.721 122 K HN 0.015 nan 8.250 nan 0.000 0.440 123 A N 0.898 123.720 122.820 0.003 0.000 1.896 123 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 123 A C 2.299 179.884 177.584 0.002 0.000 1.206 123 A CA 2.416 54.455 52.037 0.003 0.000 0.647 123 A CB -1.165 17.838 19.000 0.005 0.000 0.828 123 A HN 0.242 nan 8.150 nan 0.000 0.455 124 V N -0.463 119.451 119.914 0.001 0.000 2.214 124 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 124 V C 2.665 178.755 176.094 -0.006 0.000 1.051 124 V CA 2.705 65.004 62.300 -0.002 0.000 1.003 124 V CB -1.639 30.182 31.823 -0.003 0.000 0.635 124 V HN 0.665 nan 8.190 nan 0.000 0.447 125 T N 0.557 115.107 114.554 -0.007 0.000 2.602 125 T HA -0.384 3.966 4.350 -0.000 0.000 0.264 125 T C 1.954 176.650 174.700 -0.007 0.000 1.085 125 T CA 2.504 64.600 62.100 -0.008 0.000 1.164 125 T CB -0.731 68.133 68.868 -0.006 0.000 0.860 125 T HN 0.644 nan 8.240 nan 0.000 0.442 126 A N 1.449 124.267 122.820 -0.003 0.000 1.845 126 A HA 0.136 4.456 4.320 -0.000 0.000 0.215 126 A C 2.726 180.309 177.584 -0.001 0.000 1.195 126 A CA 2.241 54.277 52.037 -0.001 0.000 0.616 126 A CB -1.340 17.660 19.000 0.001 0.000 0.832 126 A HN 0.590 nan 8.150 nan 0.000 0.443 127 A N -0.576 122.243 122.820 -0.000 0.000 1.940 127 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 127 A C 2.204 179.786 177.584 -0.003 0.000 1.176 127 A CA 1.897 53.934 52.037 0.001 0.000 0.631 127 A CB -1.009 17.992 19.000 0.002 0.000 0.814 127 A HN 0.470 nan 8.150 nan 0.000 0.446 128 V N -0.248 119.661 119.914 -0.008 0.000 2.332 128 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 128 V C 2.533 178.622 176.094 -0.009 0.000 1.055 128 V CA 2.394 64.686 62.300 -0.013 0.000 1.038 128 V CB -0.825 30.985 31.823 -0.021 0.000 0.651 128 V HN 0.542 nan 8.190 nan 0.000 0.450 129 E N 0.198 120.394 120.200 -0.006 0.000 2.017 129 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 129 E C 2.317 178.917 176.600 0.000 0.000 0.997 129 E CA 1.183 57.581 56.400 -0.003 0.000 0.804 129 E CB -0.388 29.310 29.700 -0.002 0.000 0.757 129 E HN 0.513 nan 8.360 nan 0.000 0.448 130 E N 0.065 120.267 120.200 0.002 0.000 2.164 130 E HA -0.251 4.099 4.350 -0.000 0.000 0.206 130 E C 2.126 178.730 176.600 0.006 0.000 1.032 130 E CA 0.956 57.359 56.400 0.006 0.000 0.832 130 E CB -0.432 29.273 29.700 0.008 0.000 0.742 130 E HN 0.171 nan 8.360 nan 0.000 0.460 131 L N 1.301 122.526 121.223 0.003 0.000 2.042 131 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 131 L C 2.227 179.099 176.870 0.003 0.000 1.076 131 L CA 1.749 56.591 54.840 0.003 0.000 0.749 131 L CB -0.326 41.732 42.059 -0.002 0.000 0.893 131 L HN 0.052 nan 8.230 nan 0.000 0.432 132 K N -1.079 119.322 120.400 0.001 0.000 2.063 132 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 132 K C 2.087 178.690 176.600 0.005 0.000 1.048 132 K CA 1.337 57.624 56.287 0.001 0.000 0.928 132 K CB -0.407 32.093 32.500 -0.001 0.000 0.713 132 K HN 0.379 nan 8.250 nan 0.000 0.442 133 A N 1.763 124.587 122.820 0.006 0.000 1.845 133 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 133 A C 2.147 179.738 177.584 0.012 0.000 1.195 133 A CA 1.261 53.304 52.037 0.009 0.000 0.616 133 A CB -0.706 18.300 19.000 0.009 0.000 0.832 133 A HN 0.241 nan 8.150 nan 0.000 0.443 134 L N 0.495 121.726 121.223 0.014 0.000 2.191 134 L HA 0.004 4.344 4.340 -0.000 0.000 0.212 134 L C 1.471 178.351 176.870 0.016 0.000 1.103 134 L CA 1.471 56.322 54.840 0.018 0.000 0.769 134 L CB -0.827 41.244 42.059 0.020 0.000 0.908 134 L HN 0.297 nan 8.230 nan 0.000 0.438 135 S N -0.468 115.239 115.700 0.012 0.000 2.544 135 S HA 0.131 4.601 4.470 -0.000 0.000 0.290 135 S C -0.136 174.471 174.600 0.012 0.000 1.276 135 S CA -0.504 57.702 58.200 0.011 0.000 1.075 135 S CB -0.072 63.132 63.200 0.007 0.000 0.849 135 S HN 0.102 nan 8.310 nan 0.000 0.494 136 V N 9.246 129.167 119.914 0.013 0.000 2.383 136 V HA 0.341 4.461 4.120 -0.000 0.000 0.275 136 V C -1.867 174.234 176.094 0.012 0.000 1.036 136 V CA -1.833 60.475 62.300 0.013 0.000 0.889 136 V CB 1.019 32.850 31.823 0.015 0.000 0.985 136 V HN 0.761 nan 8.190 nan 0.000 0.459 137 P HA 0.050 nan 4.420 nan 0.000 0.271 137 P C -0.534 176.773 177.300 0.011 0.000 1.233 137 P CA -0.097 63.009 63.100 0.011 0.000 0.795 137 P CB 0.372 32.078 31.700 0.010 0.000 0.936 138 C N 1.327 120.634 119.300 0.011 0.000 3.171 138 C HA 0.505 4.965 4.460 -0.000 0.000 0.336 138 C C 1.013 176.010 174.990 0.011 0.000 1.035 138 C CA 0.285 59.310 59.018 0.011 0.000 1.361 138 C CB -0.954 26.794 27.740 0.012 0.000 1.804 138 C HN 0.620 nan 8.230 nan 0.000 0.535 139 S N 2.587 118.294 115.700 0.010 0.000 3.249 139 S HA 0.193 4.663 4.470 -0.000 0.000 0.237 139 S C 0.308 174.913 174.600 0.009 0.000 1.007 139 S CA 0.709 58.914 58.200 0.010 0.000 0.811 139 S CB -0.207 62.999 63.200 0.010 0.000 0.832 139 S HN 0.935 nan 8.310 nan 0.000 0.573 140 D N 1.865 122.270 120.400 0.008 0.000 2.449 140 D HA 0.127 4.767 4.640 -0.000 0.000 0.236 140 D C 0.814 177.118 176.300 0.007 0.000 1.149 140 D CA 0.363 54.367 54.000 0.007 0.000 0.878 140 D CB 0.392 41.196 40.800 0.007 0.000 1.198 140 D HN 0.139 nan 8.370 nan 0.000 0.446 141 S N 0.681 116.385 115.700 0.006 0.000 2.462 141 S HA -0.233 4.237 4.470 -0.000 0.000 0.243 141 S C 1.494 176.097 174.600 0.005 0.000 1.003 141 S CA 1.371 59.574 58.200 0.005 0.000 0.970 141 S CB -0.291 62.911 63.200 0.004 0.000 0.762 141 S HN 0.667 nan 8.310 nan 0.000 0.510 142 K N 1.693 122.096 120.400 0.005 0.000 1.973 142 K HA -0.020 4.300 4.320 -0.000 0.000 0.210 142 K C 2.350 178.954 176.600 0.006 0.000 1.045 142 K CA 1.179 57.469 56.287 0.006 0.000 0.937 142 K CB -0.503 32.000 32.500 0.006 0.000 0.721 142 K HN 0.245 nan 8.250 nan 0.000 0.438 143 A N 1.734 124.558 122.820 0.007 0.000 1.986 143 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 143 A C 2.059 179.648 177.584 0.009 0.000 1.171 143 A CA 1.566 53.608 52.037 0.008 0.000 0.640 143 A CB -0.614 18.392 19.000 0.009 0.000 0.811 143 A HN 0.375 nan 8.150 nan 0.000 0.451 144 I N -0.243 120.331 120.570 0.008 0.000 2.110 144 I HA -0.209 3.961 4.170 -0.000 0.000 0.236 144 I C 2.972 179.093 176.117 0.007 0.000 1.068 144 I CA 1.553 62.858 61.300 0.008 0.000 1.333 144 I CB -1.785 36.219 38.000 0.007 0.000 1.054 144 I HN 0.347 nan 8.210 nan 0.000 0.402 145 A N 0.045 122.868 122.820 0.005 0.000 2.024 145 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 145 A C 2.185 179.772 177.584 0.005 0.000 1.164 145 A CA 1.819 53.859 52.037 0.004 0.000 0.643 145 A CB -0.616 18.386 19.000 0.003 0.000 0.806 145 A HN 0.527 nan 8.150 nan 0.000 0.451 146 Q N 0.056 119.860 119.800 0.006 0.000 1.803 146 Q HA -0.163 4.177 4.340 -0.000 0.000 0.284 146 Q C 2.007 178.011 176.000 0.007 0.000 1.004 146 Q CA 2.751 58.558 55.803 0.006 0.000 0.889 146 Q CB -1.093 27.649 28.738 0.007 0.000 0.949 146 Q HN 0.508 nan 8.270 nan 0.000 0.418 147 V N 0.597 120.516 119.914 0.008 0.000 2.313 147 V HA -0.282 3.838 4.120 -0.000 0.000 0.253 147 V C 1.877 177.977 176.094 0.010 0.000 1.070 147 V CA 3.054 65.360 62.300 0.010 0.000 1.057 147 V CB -1.429 30.401 31.823 0.012 0.000 0.653 147 V HN 0.624 nan 8.190 nan 0.000 0.450 148 G N -0.279 108.527 108.800 0.010 0.000 2.587 148 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.217 148 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.217 148 G C 1.764 176.669 174.900 0.007 0.000 1.240 148 G CA 2.495 47.601 45.100 0.010 0.000 0.794 148 G HN 0.792 nan 8.290 nan 0.000 0.580 149 T N 0.094 114.651 114.554 0.005 0.000 2.760 149 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 149 T C 2.330 177.031 174.700 0.002 0.000 1.047 149 T CA 1.562 63.664 62.100 0.003 0.000 1.139 149 T CB -0.353 68.516 68.868 0.002 0.000 0.855 149 T HN 0.326 nan 8.240 nan 0.000 0.471 150 I N 1.165 121.736 120.570 0.003 0.000 2.141 150 I HA -0.102 4.068 4.170 -0.000 0.000 0.236 150 I C 3.000 179.118 176.117 0.001 0.000 1.071 150 I CA 1.424 62.725 61.300 0.001 0.000 1.345 150 I CB -0.735 37.266 38.000 0.001 0.000 1.066 150 I HN 0.298 nan 8.210 nan 0.000 0.406 151 S N 0.578 116.282 115.700 0.006 0.000 2.469 151 S HA -0.078 4.392 4.470 -0.000 0.000 0.238 151 S C 1.841 176.448 174.600 0.011 0.000 0.998 151 S CA 1.169 59.375 58.200 0.010 0.000 0.957 151 S CB -0.226 62.986 63.200 0.020 0.000 0.764 151 S HN 0.462 nan 8.310 nan 0.000 0.514 152 A N 1.014 123.838 122.820 0.008 0.000 2.251 152 A HA 0.306 4.626 4.320 -0.000 0.000 0.209 152 A C 0.695 178.280 177.584 0.002 0.000 1.187 152 A CA 0.379 52.420 52.037 0.006 0.000 0.823 152 A CB -0.705 18.298 19.000 0.005 0.000 0.846 152 A HN 0.812 nan 8.150 nan 0.000 0.486 153 N N -0.856 117.844 118.700 -0.000 0.000 2.792 153 N HA -0.224 4.516 4.740 -0.000 0.000 0.258 153 N C 0.367 175.874 175.510 -0.005 0.000 1.118 153 N CA 0.299 53.346 53.050 -0.004 0.000 0.672 153 N CB -1.154 37.330 38.487 -0.005 0.000 0.913 153 N HN 0.335 nan 8.380 nan 0.000 0.562 154 S N -1.262 114.435 115.700 -0.004 0.000 1.906 154 S HA -0.284 4.186 4.470 -0.000 0.000 0.229 154 S C 0.048 174.647 174.600 -0.002 0.000 1.003 154 S CA 1.424 59.621 58.200 -0.004 0.000 1.559 154 S CB -0.994 62.202 63.200 -0.006 0.000 2.023 154 S HN 0.840 nan 8.310 nan 0.000 0.555 155 D N 2.851 123.249 120.400 -0.002 0.000 2.433 155 D HA 0.014 4.654 4.640 -0.000 0.000 0.274 155 D C 1.045 177.344 176.300 -0.001 0.000 1.344 155 D CA 0.611 54.610 54.000 -0.002 0.000 0.989 155 D CB 0.233 41.033 40.800 -0.001 0.000 1.116 155 D HN 0.622 nan 8.370 nan 0.000 0.533 156 E N 1.353 121.552 120.200 -0.001 0.000 2.110 156 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 156 E C 2.015 178.615 176.600 -0.000 0.000 0.988 156 E CA 1.584 57.984 56.400 -0.000 0.000 0.804 156 E CB -0.024 29.676 29.700 0.000 0.000 0.745 156 E HN 0.690 nan 8.360 nan 0.000 0.458 157 T N -0.594 113.959 114.554 -0.001 0.000 2.737 157 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 157 T C 2.040 176.738 174.700 -0.002 0.000 1.040 157 T CA 1.500 63.599 62.100 -0.002 0.000 1.142 157 T CB -0.691 68.176 68.868 -0.002 0.000 0.861 157 T HN -0.039 nan 8.240 nan 0.000 0.456 158 V N 2.274 122.187 119.914 -0.002 0.000 2.221 158 V HA 0.046 4.166 4.120 -0.000 0.000 0.242 158 V C 3.199 179.293 176.094 -0.001 0.000 1.041 158 V CA 1.861 64.160 62.300 -0.002 0.000 0.995 158 V CB -1.661 30.162 31.823 -0.000 0.000 0.635 158 V HN 0.628 nan 8.190 nan 0.000 0.448 159 G N -0.180 108.621 108.800 0.001 0.000 2.562 159 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.223 159 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.223 159 G C 1.558 176.458 174.900 0.001 0.000 1.102 159 G CA 1.534 46.635 45.100 0.002 0.000 0.742 159 G HN 0.549 nan 8.290 nan 0.000 0.587 160 K N -0.261 120.138 120.400 -0.000 0.000 1.965 160 K HA -0.087 4.233 4.320 -0.000 0.000 0.220 160 K C 2.484 179.083 176.600 -0.002 0.000 1.046 160 K CA 1.398 57.684 56.287 -0.001 0.000 0.974 160 K CB -0.404 32.095 32.500 -0.001 0.000 0.738 160 K HN 0.146 nan 8.250 nan 0.000 0.444 161 L N 1.618 122.839 121.223 -0.003 0.000 2.064 161 L HA -0.251 4.089 4.340 -0.000 0.000 0.216 161 L C 2.317 179.184 176.870 -0.006 0.000 1.077 161 L CA 1.688 56.525 54.840 -0.005 0.000 0.766 161 L CB -0.648 41.407 42.059 -0.007 0.000 0.890 161 L HN 0.376 nan 8.230 nan 0.000 0.435 162 I N -0.938 119.629 120.570 -0.005 0.000 2.127 162 I HA -0.343 3.827 4.170 -0.000 0.000 0.241 162 I C 2.655 178.770 176.117 -0.003 0.000 1.075 162 I CA 1.354 62.651 61.300 -0.006 0.000 1.334 162 I CB -0.767 37.231 38.000 -0.004 0.000 1.040 162 I HN 0.272 nan 8.210 nan 0.000 0.405 163 A N 0.724 123.544 122.820 -0.001 0.000 1.883 163 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 163 A C 2.221 179.805 177.584 -0.000 0.000 1.186 163 A CA 1.846 53.883 52.037 0.001 0.000 0.624 163 A CB -0.676 18.325 19.000 0.002 0.000 0.822 163 A HN 0.481 nan 8.150 nan 0.000 0.444 164 E N -0.092 120.107 120.200 -0.002 0.000 2.038 164 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 164 E C 2.381 178.979 176.600 -0.003 0.000 1.000 164 E CA 1.008 57.407 56.400 -0.002 0.000 0.803 164 E CB -0.425 29.273 29.700 -0.003 0.000 0.750 164 E HN 0.608 nan 8.360 nan 0.000 0.448 165 A N 1.855 124.672 122.820 -0.005 0.000 1.848 165 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 165 A C 2.290 179.872 177.584 -0.004 0.000 1.220 165 A CA 2.395 54.428 52.037 -0.006 0.000 0.645 165 A CB -0.911 18.083 19.000 -0.009 0.000 0.842 165 A HN 0.182 nan 8.150 nan 0.000 0.451 166 M N -1.160 118.438 119.600 -0.003 0.000 2.192 166 M HA -0.223 4.257 4.480 -0.000 0.000 0.259 166 M C 1.725 178.025 176.300 0.001 0.000 1.071 166 M CA 2.087 57.387 55.300 -0.001 0.000 1.082 166 M CB -0.755 31.846 32.600 0.002 0.000 1.373 166 M HN 0.545 nan 8.290 nan 0.000 0.408 167 D N 0.269 120.669 120.400 0.000 0.000 2.350 167 D HA -0.097 4.543 4.640 -0.000 0.000 0.216 167 D C 1.922 178.222 176.300 -0.000 0.000 0.968 167 D CA 0.919 54.919 54.000 0.001 0.000 0.894 167 D CB 0.330 41.131 40.800 0.001 0.000 0.909 167 D HN 0.130 nan 8.370 nan 0.000 0.520 168 K N -0.467 119.932 120.400 -0.001 0.000 2.159 168 K HA 0.104 4.424 4.320 -0.000 0.000 0.210 168 K C 1.522 178.121 176.600 -0.002 0.000 1.026 168 K CA 0.337 56.623 56.287 -0.002 0.000 0.959 168 K CB -0.801 31.697 32.500 -0.003 0.000 0.890 168 K HN 0.022 nan 8.250 nan 0.000 0.459 169 V N 0.840 120.753 119.914 -0.002 0.000 3.633 169 V HA 0.208 4.328 4.120 -0.000 0.000 0.283 169 V C 0.180 176.274 176.094 0.000 0.000 1.305 169 V CA 0.943 63.242 62.300 -0.002 0.000 1.153 169 V CB -0.711 31.111 31.823 -0.002 0.000 0.950 169 V HN 0.628 nan 8.190 nan 0.000 0.432 170 G N 0.457 109.258 108.800 0.001 0.000 2.712 170 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.683 170 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.683 170 G C 0.174 175.077 174.900 0.005 0.000 1.320 170 G CA 0.059 45.161 45.100 0.003 0.000 0.847 170 G HN 0.284 nan 8.290 nan 0.000 0.553 171 K N -0.056 120.348 120.400 0.008 0.000 2.148 171 K HA -0.032 4.288 4.320 -0.000 0.000 0.204 171 K C 1.890 178.497 176.600 0.012 0.000 1.050 171 K CA 1.806 58.099 56.287 0.010 0.000 0.942 171 K CB 0.010 32.518 32.500 0.013 0.000 0.724 171 K HN 0.417 nan 8.250 nan 0.000 0.446 172 E N 0.111 120.319 120.200 0.013 0.000 2.479 172 E HA 0.067 4.417 4.350 -0.000 0.000 0.193 172 E C 0.594 177.201 176.600 0.012 0.000 1.049 172 E CA -0.065 56.344 56.400 0.016 0.000 0.870 172 E CB 0.275 29.987 29.700 0.020 0.000 0.944 172 E HN 0.283 nan 8.360 nan 0.000 0.492 173 G N 0.173 108.978 108.800 0.007 0.000 2.771 173 G HA2 0.153 4.113 3.960 -0.000 0.000 0.242 173 G HA3 0.153 4.113 3.960 -0.000 0.000 0.242 173 G C -0.203 174.699 174.900 0.004 0.000 1.233 173 G CA -0.434 44.669 45.100 0.004 0.000 0.858 173 G HN 0.052 nan 8.290 nan 0.000 0.591 174 V N 1.134 121.050 119.914 0.003 0.000 2.350 174 V HA 0.335 4.455 4.120 -0.000 0.000 0.276 174 V C -0.278 175.810 176.094 -0.010 0.000 1.028 174 V CA -0.404 61.896 62.300 -0.000 0.000 0.860 174 V CB 0.817 32.645 31.823 0.009 0.000 0.990 174 V HN 0.449 nan 8.190 nan 0.000 0.453 175 I N 4.799 125.357 120.570 -0.020 0.000 2.493 175 I HA 0.740 4.910 4.170 -0.000 0.000 0.298 175 I C 0.534 176.628 176.117 -0.038 0.000 0.998 175 I CA 0.095 61.379 61.300 -0.027 0.000 1.137 175 I CB 2.203 40.186 38.000 -0.029 0.000 1.310 175 I HN 0.792 nan 8.210 nan 0.000 0.445 176 T N 1.801 116.333 114.554 -0.036 0.000 2.831 176 T HA 0.916 5.266 4.350 -0.000 0.000 0.287 176 T C -0.899 173.778 174.700 -0.038 0.000 1.070 176 T CA -0.796 61.279 62.100 -0.042 0.000 1.010 176 T CB 1.664 70.510 68.868 -0.037 0.000 1.264 176 T HN 0.257 nan 8.240 nan 0.000 0.532 177 V N 0.776 120.667 119.914 -0.038 0.000 2.760 177 V HA 0.641 4.761 4.120 -0.000 0.000 0.309 177 V C -0.945 175.132 176.094 -0.027 0.000 1.077 177 V CA -0.810 61.471 62.300 -0.032 0.000 0.910 177 V CB 1.834 33.636 31.823 -0.034 0.000 1.008 177 V HN 1.052 nan 8.190 nan 0.000 0.424 178 E N 1.435 121.621 120.200 -0.023 0.000 2.367 178 E HA 0.474 4.824 4.350 -0.000 0.000 0.273 178 E C -1.717 174.872 176.600 -0.017 0.000 0.903 178 E CA -1.060 55.328 56.400 -0.021 0.000 0.764 178 E CB 2.268 31.956 29.700 -0.020 0.000 1.252 178 E HN 0.691 nan 8.360 nan 0.000 0.446 179 D N 0.839 121.230 120.400 -0.016 0.000 2.443 179 D HA 0.240 4.880 4.640 -0.000 0.000 0.239 179 D C 0.169 176.461 176.300 -0.013 0.000 1.136 179 D CA 0.461 54.453 54.000 -0.014 0.000 0.879 179 D CB 0.627 41.419 40.800 -0.013 0.000 1.195 179 D HN 0.455 nan 8.370 nan 0.000 0.443 180 G N -0.122 108.671 108.800 -0.012 0.000 2.432 180 G HA2 0.286 4.246 3.960 -0.000 0.000 0.257 180 G HA3 0.286 4.246 3.960 -0.000 0.000 0.257 180 G C 1.193 176.087 174.900 -0.010 0.000 1.238 180 G CA -0.322 44.771 45.100 -0.011 0.000 0.838 180 G HN 0.525 nan 8.290 nan 0.000 0.547 181 T N 0.160 114.708 114.554 -0.010 0.000 2.857 181 T HA 0.169 4.519 4.350 -0.000 0.000 0.266 181 T C 1.449 176.144 174.700 -0.009 0.000 1.048 181 T CA 1.231 63.325 62.100 -0.010 0.000 1.139 181 T CB -0.079 68.783 68.868 -0.010 0.000 0.874 181 T HN 0.704 nan 8.240 nan 0.000 0.455 182 G N 0.564 109.360 108.800 -0.008 0.000 3.247 182 G HA2 0.524 4.484 3.960 -0.000 0.000 0.163 182 G HA3 0.524 4.484 3.960 -0.000 0.000 0.163 182 G C 0.205 175.101 174.900 -0.007 0.000 1.206 182 G CA -0.094 45.002 45.100 -0.007 0.000 0.918 182 G HN 0.284 nan 8.290 nan 0.000 0.625 183 L N -0.776 120.443 121.223 -0.006 0.000 2.554 183 L HA 0.422 4.762 4.340 -0.000 0.000 0.225 183 L C 0.577 177.444 176.870 -0.005 0.000 1.104 183 L CA 0.404 55.241 54.840 -0.005 0.000 0.866 183 L CB -0.134 41.923 42.059 -0.005 0.000 1.047 183 L HN 0.168 nan 8.230 nan 0.000 0.468 184 Q N 1.051 120.847 119.800 -0.006 0.000 2.230 184 Q HA 0.224 4.564 4.340 -0.000 0.000 0.248 184 Q C -0.841 175.155 176.000 -0.006 0.000 0.915 184 Q CA -0.328 55.471 55.803 -0.006 0.000 0.900 184 Q CB 1.311 30.046 28.738 -0.005 0.000 1.229 184 Q HN 0.207 nan 8.270 nan 0.000 0.439 185 D N 1.629 122.025 120.400 -0.006 0.000 2.339 185 D HA 0.233 4.873 4.640 -0.000 0.000 0.245 185 D C -0.400 175.896 176.300 -0.007 0.000 1.115 185 D CA 0.137 54.133 54.000 -0.007 0.000 0.917 185 D CB 0.857 41.654 40.800 -0.007 0.000 1.192 185 D HN 0.282 nan 8.370 nan 0.000 0.428 186 E N 0.580 120.775 120.200 -0.008 0.000 2.278 186 E HA 0.391 4.741 4.350 -0.000 0.000 0.272 186 E C -0.948 175.646 176.600 -0.009 0.000 0.890 186 E CA -0.601 55.794 56.400 -0.008 0.000 0.770 186 E CB 2.430 32.125 29.700 -0.009 0.000 1.212 186 E HN 0.200 nan 8.360 nan 0.000 0.415 187 L N 3.663 124.881 121.223 -0.008 0.000 2.319 187 L HA 0.500 4.840 4.340 -0.000 0.000 0.281 187 L C -1.466 175.399 176.870 -0.008 0.000 1.005 187 L CA -0.433 54.402 54.840 -0.009 0.000 0.828 187 L CB 0.736 42.791 42.059 -0.008 0.000 1.227 187 L HN 0.535 nan 8.230 nan 0.000 0.415 188 D N 4.436 124.831 120.400 -0.009 0.000 2.738 188 D HA 0.386 5.026 4.640 -0.000 0.000 0.237 188 D C -0.804 175.492 176.300 -0.008 0.000 1.123 188 D CA -0.165 53.830 54.000 -0.008 0.000 0.856 188 D CB 2.940 43.735 40.800 -0.009 0.000 1.552 188 D HN 0.323 nan 8.370 nan 0.000 0.480 189 V N -0.550 119.360 119.914 -0.007 0.000 2.435 189 V HA 0.807 4.927 4.120 -0.000 0.000 0.290 189 V C -0.113 175.977 176.094 -0.005 0.000 1.030 189 V CA -0.549 61.748 62.300 -0.006 0.000 0.881 189 V CB 1.452 33.272 31.823 -0.005 0.000 0.983 189 V HN 0.329 nan 8.190 nan 0.000 0.445 190 V N 3.067 122.978 119.914 -0.005 0.000 3.114 190 V HA 0.538 4.658 4.120 -0.000 0.000 0.308 190 V C 0.964 177.057 176.094 -0.002 0.000 1.168 190 V CA -0.374 61.923 62.300 -0.004 0.000 1.015 190 V CB 2.507 34.326 31.823 -0.006 0.000 1.050 190 V HN 0.930 nan 8.190 nan 0.000 0.433 191 E N 2.369 122.569 120.200 -0.001 0.000 2.331 191 E HA -0.006 4.344 4.350 -0.000 0.000 0.199 191 E C 1.232 177.835 176.600 0.006 0.000 1.008 191 E CA 0.943 57.345 56.400 0.002 0.000 0.843 191 E CB -0.574 29.127 29.700 0.002 0.000 0.761 191 E HN 0.909 nan 8.360 nan 0.000 0.507 192 G N 1.214 110.009 108.800 -0.007 0.000 3.047 192 G HA2 0.034 3.994 3.960 -0.000 0.000 0.374 192 G HA3 0.034 3.994 3.960 -0.000 0.000 0.374 192 G C 0.258 175.157 174.900 -0.002 0.000 1.277 192 G CA 0.505 45.599 45.100 -0.010 0.000 1.153 192 G HN 0.249 nan 8.290 nan 0.000 0.711 193 M N -1.959 117.636 119.600 -0.008 0.000 2.949 193 M HA 0.536 5.016 4.480 -0.000 0.000 0.270 193 M C -1.657 174.618 176.300 -0.042 0.000 1.221 193 M CA -0.757 54.547 55.300 0.006 0.000 0.818 193 M CB 1.894 34.529 32.600 0.058 0.000 1.635 193 M HN 0.768 nan 8.290 nan 0.000 0.492 194 Q N 1.710 121.492 119.800 -0.030 0.000 2.578 194 Q HA 0.657 4.997 4.340 -0.000 0.000 0.284 194 Q C -2.329 173.658 176.000 -0.022 0.000 0.960 194 Q CA -0.637 55.075 55.803 -0.152 0.000 0.809 194 Q CB 2.713 31.386 28.738 -0.109 0.000 1.462 194 Q HN 0.663 nan 8.270 nan 0.000 0.392 195 F N -0.783 119.175 119.950 0.014 0.000 2.688 195 F HA 0.430 4.957 4.527 -0.000 0.000 0.308 195 F C -1.549 174.262 175.800 0.019 0.000 1.117 195 F CA -1.300 56.710 58.000 0.017 0.000 0.976 195 F CB 0.717 39.729 39.000 0.020 0.000 1.291 195 F HN 0.299 nan 8.300 nan 0.000 0.439 196 D N 2.777 123.367 120.400 0.317 0.000 2.367 196 D HA 0.426 5.066 4.640 -0.000 0.000 0.255 196 D C -0.417 176.042 176.300 0.265 0.000 1.300 196 D CA 0.610 54.733 54.000 0.206 0.000 0.959 196 D CB 0.298 41.176 40.800 0.129 0.000 1.064 196 D HN 0.579 nan 8.370 nan 0.000 0.509 197 R N 0.861 121.514 120.500 0.255 0.000 2.725 197 R HA 0.481 4.821 4.340 -0.000 0.000 0.276 197 R C -0.262 176.109 176.300 0.119 0.000 1.189 197 R CA -0.475 55.764 56.100 0.232 0.000 1.083 197 R CB 1.228 31.790 30.300 0.438 0.000 1.262 197 R HN 0.381 nan 8.270 nan 0.000 0.415 198 G N 1.725 110.518 108.800 -0.012 0.000 2.488 198 G HA2 0.392 4.352 3.960 -0.000 0.000 0.318 198 G HA3 0.392 4.352 3.960 -0.000 0.000 0.318 198 G C -0.712 174.118 174.900 -0.117 0.000 1.188 198 G CA -0.563 44.432 45.100 -0.175 0.000 0.944 198 G HN 0.513 nan 8.290 nan 0.000 0.495 199 Y N -1.136 119.242 120.300 0.130 0.000 2.652 199 Y HA 0.298 4.848 4.550 -0.000 0.000 0.344 199 Y C 0.548 176.511 175.900 0.104 0.000 1.254 199 Y CA -1.152 57.058 58.100 0.183 0.000 1.480 199 Y CB 0.236 38.836 38.460 0.232 0.000 1.345 199 Y HN 0.099 nan 8.280 nan 0.000 0.617 200 L N 2.278 123.719 121.223 0.364 0.000 2.783 200 L HA 0.333 4.673 4.340 -0.000 0.000 0.236 200 L C 0.173 177.052 176.870 0.016 0.000 1.225 200 L CA 0.332 55.277 54.840 0.175 0.000 1.026 200 L CB -0.902 41.240 42.059 0.139 0.000 1.314 200 L HN 0.732 nan 8.230 nan 0.000 0.489 201 S N -1.554 114.163 115.700 0.029 0.000 2.546 201 S HA 0.310 4.780 4.470 -0.000 0.000 0.303 201 S C -2.371 171.881 174.600 -0.581 0.000 1.067 201 S CA -0.560 57.405 58.200 -0.391 0.000 0.944 201 S CB 1.177 63.736 63.200 -1.068 0.000 1.155 201 S HN -0.111 nan 8.310 nan 0.000 0.449 202 P HA -0.054 nan 4.420 nan 0.000 0.216 202 P C 0.591 177.657 177.300 -0.389 0.000 1.150 202 P CA 0.999 63.751 63.100 -0.581 0.000 0.837 202 P CB -0.072 31.508 31.700 -0.201 0.000 0.786 203 Y N -2.552 117.545 120.300 -0.340 0.000 2.736 203 Y HA -0.113 4.437 4.550 0.000 0.000 0.298 203 Y C 1.659 177.558 175.900 -0.003 0.000 1.156 203 Y CA 0.582 58.579 58.100 -0.171 0.000 1.384 203 Y CB -1.169 37.208 38.460 -0.139 0.000 0.976 203 Y HN -0.004 nan 8.280 nan 0.000 0.556 204 F N -0.788 119.107 119.950 -0.092 0.000 2.446 204 F HA 0.148 4.675 4.527 -0.000 0.000 0.292 204 F C 1.218 176.948 175.800 -0.117 0.000 1.096 204 F CA -0.960 56.990 58.000 -0.083 0.000 1.438 204 F CB -0.708 38.246 39.000 -0.077 0.000 1.107 204 F HN -0.192 nan 8.300 nan 0.000 0.546 205 I N 3.055 123.606 120.570 -0.032 0.000 2.996 205 I HA -0.233 3.937 4.170 -0.000 0.000 0.311 205 I C 1.176 177.287 176.117 -0.011 0.000 1.219 205 I CA 0.713 61.981 61.300 -0.054 0.000 1.452 205 I CB 0.241 38.164 38.000 -0.128 0.000 1.319 205 I HN 0.260 nan 8.210 nan 0.000 0.564 206 N N 4.624 123.324 118.700 0.000 0.000 2.159 206 N HA 0.037 4.777 4.740 -0.000 0.000 0.217 206 N C -0.241 175.264 175.510 -0.008 0.000 1.223 206 N CA -0.181 52.868 53.050 -0.002 0.000 0.896 206 N CB 0.707 39.195 38.487 0.002 0.000 1.064 206 N HN 0.400 nan 8.380 nan 0.000 0.518 207 K N 2.090 122.486 120.400 -0.007 0.000 2.679 207 K HA 0.324 4.644 4.320 -0.000 0.000 0.188 207 K C -1.843 174.751 176.600 -0.010 0.000 1.055 207 K CA -1.794 54.489 56.287 -0.006 0.000 1.006 207 K CB 2.184 34.686 32.500 0.003 0.000 1.317 207 K HN -0.017 nan 8.250 nan 0.000 0.584 208 P HA -0.240 nan 4.420 nan 0.000 0.212 208 P C 0.850 178.142 177.300 -0.015 0.000 1.174 208 P CA 1.398 64.482 63.100 -0.027 0.000 0.934 208 P CB 0.395 32.077 31.700 -0.029 0.000 0.791 209 E N -0.935 119.259 120.200 -0.009 0.000 2.455 209 E HA -0.088 4.262 4.350 -0.000 0.000 0.202 209 E C 1.518 178.120 176.600 0.004 0.000 1.045 209 E CA 1.134 57.532 56.400 -0.002 0.000 0.872 209 E CB -0.549 29.150 29.700 -0.000 0.000 0.792 209 E HN 0.392 nan 8.360 nan 0.000 0.542 210 T N -1.705 112.854 114.554 0.007 0.000 2.969 210 T HA 0.203 4.553 4.350 -0.000 0.000 0.250 210 T C 1.185 175.905 174.700 0.033 0.000 1.021 210 T CA 0.426 62.537 62.100 0.019 0.000 1.003 210 T CB 0.789 69.669 68.868 0.020 0.000 1.040 210 T HN 0.263 nan 8.240 nan 0.000 0.492 211 G N 1.984 110.798 108.800 0.025 0.000 2.249 211 G HA2 0.005 3.965 3.960 -0.000 0.000 0.273 211 G HA3 0.005 3.965 3.960 -0.000 0.000 0.273 211 G C 0.087 175.044 174.900 0.095 0.000 1.036 211 G CA 0.185 45.310 45.100 0.042 0.000 0.824 211 G HN 0.938 nan 8.290 nan 0.000 0.504 212 A N -1.362 121.498 122.820 0.066 0.000 2.430 212 A HA 0.897 5.217 4.320 -0.000 0.000 0.300 212 A C -0.346 177.277 177.584 0.065 0.000 1.124 212 A CA -0.339 51.754 52.037 0.093 0.000 0.766 212 A CB 2.177 21.218 19.000 0.067 0.000 1.328 212 A HN 1.181 nan 8.150 nan 0.000 0.424 213 V N 1.978 121.945 119.914 0.088 0.000 2.284 213 V HA 0.280 4.400 4.120 -0.000 0.000 0.274 213 V C -0.399 175.716 176.094 0.035 0.000 1.023 213 V CA -0.308 62.029 62.300 0.062 0.000 0.808 213 V CB 0.610 32.493 31.823 0.100 0.000 1.035 213 V HN 0.889 nan 8.190 nan 0.000 0.445 214 E N 5.326 125.534 120.200 0.015 0.000 2.200 214 E HA 0.596 4.946 4.350 -0.000 0.000 0.283 214 E C -1.034 175.561 176.600 -0.009 0.000 1.015 214 E CA -0.397 56.003 56.400 0.000 0.000 0.819 214 E CB 1.813 31.511 29.700 -0.004 0.000 1.081 214 E HN 0.521 nan 8.360 nan 0.000 0.397 215 L N 2.807 124.021 121.223 -0.015 0.000 2.362 215 L HA 0.318 4.658 4.340 -0.000 0.000 0.275 215 L C -0.031 176.822 176.870 -0.028 0.000 0.998 215 L CA -1.050 53.777 54.840 -0.021 0.000 0.820 215 L CB 1.683 43.729 42.059 -0.022 0.000 1.270 215 L HN 0.352 nan 8.230 nan 0.000 0.415 216 E N 2.218 122.401 120.200 -0.029 0.000 2.003 216 E HA 0.073 4.423 4.350 -0.000 0.000 0.279 216 E C 0.506 177.070 176.600 -0.061 0.000 1.132 216 E CA -0.006 56.371 56.400 -0.039 0.000 0.888 216 E CB 0.867 30.549 29.700 -0.031 0.000 1.056 216 E HN 0.691 nan 8.360 nan 0.000 0.399 217 S N 1.734 117.389 115.700 -0.076 0.000 3.348 217 S HA -0.181 4.289 4.470 -0.000 0.000 0.366 217 S C -2.245 172.245 174.600 -0.183 0.000 0.953 217 S CA -0.005 58.122 58.200 -0.121 0.000 1.255 217 S CB -1.756 61.368 63.200 -0.128 0.000 0.906 217 S HN 0.256 nan 8.310 nan 0.000 0.495 218 P HA 0.584 nan 4.420 nan 0.000 0.279 218 P C 0.370 177.572 177.300 -0.164 0.000 1.282 218 P CA -0.759 62.288 63.100 -0.088 0.000 0.788 218 P CB 0.312 32.017 31.700 0.008 0.000 1.139 219 F N -0.708 119.235 119.950 -0.012 0.000 2.368 219 F HA 0.443 4.970 4.527 0.000 0.000 0.315 219 F C 0.749 176.548 175.800 -0.002 0.000 1.145 219 F CA 0.030 58.026 58.000 -0.006 0.000 1.095 219 F CB 0.153 39.149 39.000 -0.006 0.000 1.286 219 F HN -0.008 nan 8.300 nan 0.000 0.530 220 I N 2.311 123.001 120.570 0.200 0.000 2.647 220 I HA 0.316 4.486 4.170 -0.000 0.000 0.295 220 I C -1.341 174.842 176.117 0.109 0.000 1.078 220 I CA -0.903 60.469 61.300 0.120 0.000 1.048 220 I CB 2.151 40.201 38.000 0.083 0.000 1.239 220 I HN 0.237 nan 8.210 nan 0.000 0.421 221 L N 6.555 127.828 121.223 0.084 0.000 2.334 221 L HA 0.588 4.928 4.340 -0.000 0.000 0.276 221 L C -1.156 175.750 176.870 0.059 0.000 1.014 221 L CA -0.580 54.299 54.840 0.064 0.000 0.815 221 L CB 1.787 43.876 42.059 0.050 0.000 1.268 221 L HN 0.618 nan 8.230 nan 0.000 0.428 222 L N 5.541 126.791 121.223 0.046 0.000 2.556 222 L HA 0.411 4.751 4.340 -0.000 0.000 0.243 222 L C 0.588 177.473 176.870 0.024 0.000 1.331 222 L CA -0.354 54.507 54.840 0.036 0.000 0.927 222 L CB 1.031 43.110 42.059 0.034 0.000 1.219 222 L HN 0.719 nan 8.230 nan 0.000 0.490 223 A N 0.198 123.032 122.820 0.025 0.000 2.281 223 A HA 0.208 4.528 4.320 -0.000 0.000 0.271 223 A C 0.492 178.083 177.584 0.012 0.000 1.196 223 A CA 0.412 52.460 52.037 0.018 0.000 0.807 223 A CB 0.381 19.394 19.000 0.022 0.000 1.138 223 A HN 0.604 nan 8.150 nan 0.000 0.506 224 D N -2.570 117.836 120.400 0.010 0.000 2.530 224 D HA 0.161 4.801 4.640 -0.000 0.000 0.253 224 D C 0.067 176.372 176.300 0.008 0.000 1.338 224 D CA 0.093 54.096 54.000 0.006 0.000 0.806 224 D CB 0.017 40.819 40.800 0.003 0.000 1.160 224 D HN 0.642 nan 8.370 nan 0.000 0.514 225 K N -0.898 119.510 120.400 0.012 0.000 2.263 225 K HA 0.654 4.974 4.320 -0.000 0.000 0.249 225 K C -0.898 175.713 176.600 0.019 0.000 1.076 225 K CA -1.050 55.245 56.287 0.014 0.000 0.884 225 K CB 1.172 33.680 32.500 0.013 0.000 1.394 225 K HN -0.326 nan 8.250 nan 0.000 0.476 226 K N 0.748 121.159 120.400 0.019 0.000 2.174 226 K HA 0.356 4.676 4.320 -0.000 0.000 0.275 226 K C -0.554 176.060 176.600 0.023 0.000 1.015 226 K CA -0.442 55.859 56.287 0.023 0.000 0.933 226 K CB 0.646 33.158 32.500 0.021 0.000 1.025 226 K HN 0.441 nan 8.250 nan 0.000 0.463 227 I N 2.865 123.452 120.570 0.029 0.000 2.354 227 I HA 0.114 4.284 4.170 -0.000 0.000 0.286 227 I C 0.822 176.956 176.117 0.028 0.000 1.007 227 I CA -0.103 61.214 61.300 0.028 0.000 1.167 227 I CB 0.646 38.667 38.000 0.034 0.000 1.320 227 I HN 0.771 nan 8.210 nan 0.000 0.458 228 S N 4.515 120.228 115.700 0.021 0.000 2.517 228 S HA 0.123 4.593 4.470 -0.000 0.000 0.228 228 S C 0.799 175.409 174.600 0.016 0.000 1.060 228 S CA -0.054 58.157 58.200 0.018 0.000 0.937 228 S CB 0.150 63.358 63.200 0.013 0.000 0.840 228 S HN 0.610 nan 8.310 nan 0.000 0.546 229 N N 1.059 119.767 118.700 0.013 0.000 2.499 229 N HA 0.271 5.011 4.740 -0.000 0.000 0.281 229 N C 0.441 175.958 175.510 0.012 0.000 1.098 229 N CA -0.214 52.842 53.050 0.010 0.000 0.979 229 N CB 1.071 39.562 38.487 0.007 0.000 1.121 229 N HN 0.166 nan 8.380 nan 0.000 0.466 230 I N 3.259 123.835 120.570 0.011 0.000 2.493 230 I HA -0.109 4.061 4.170 -0.000 0.000 0.254 230 I C 2.424 178.544 176.117 0.006 0.000 1.160 230 I CA 0.500 61.806 61.300 0.011 0.000 1.445 230 I CB -0.592 37.414 38.000 0.010 0.000 1.086 230 I HN 0.617 nan 8.210 nan 0.000 0.433 231 R N 1.622 122.124 120.500 0.003 0.000 2.222 231 R HA -0.359 3.981 4.340 -0.000 0.000 0.235 231 R C 2.160 178.459 176.300 -0.001 0.000 1.112 231 R CA 2.789 58.889 56.100 0.000 0.000 0.897 231 R CB -0.440 29.860 30.300 0.001 0.000 0.882 231 R HN 0.319 nan 8.270 nan 0.000 0.429 232 E N -0.037 120.163 120.200 0.000 0.000 2.233 232 E HA -0.278 4.072 4.350 -0.000 0.000 0.210 232 E C 1.876 178.473 176.600 -0.005 0.000 1.046 232 E CA 2.391 58.790 56.400 -0.001 0.000 0.844 232 E CB -0.314 29.387 29.700 0.003 0.000 0.741 232 E HN 0.369 nan 8.360 nan 0.000 0.465 233 M N -0.318 119.279 119.600 -0.004 0.000 2.099 233 M HA -0.017 4.463 4.480 -0.000 0.000 0.262 233 M C 1.965 178.254 176.300 -0.019 0.000 1.067 233 M CA 1.186 56.480 55.300 -0.010 0.000 1.124 233 M CB -0.610 31.987 32.600 -0.005 0.000 1.353 233 M HN 0.071 nan 8.290 nan 0.000 0.410 234 L N 0.013 121.227 121.223 -0.015 0.000 2.166 234 L HA -0.329 4.011 4.340 -0.000 0.000 0.228 234 L C -0.425 176.429 176.870 -0.028 0.000 1.101 234 L CA 2.041 56.870 54.840 -0.019 0.000 0.821 234 L CB -2.848 39.203 42.059 -0.014 0.000 0.908 234 L HN 0.258 nan 8.230 nan 0.000 0.447 235 P HA -0.161 nan 4.420 nan 0.000 0.210 235 P C 1.829 179.098 177.300 -0.052 0.000 1.189 235 P CA 2.521 65.600 63.100 -0.035 0.000 0.920 235 P CB -0.316 31.366 31.700 -0.028 0.000 0.782 236 V N -1.725 118.155 119.914 -0.056 0.000 2.295 236 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 236 V C 2.696 178.731 176.094 -0.099 0.000 1.049 236 V CA 1.728 63.976 62.300 -0.086 0.000 1.024 236 V CB -2.227 29.554 31.823 -0.071 0.000 0.648 236 V HN -0.088 nan 8.190 nan 0.000 0.447 237 L N 1.121 122.304 121.223 -0.066 0.000 2.189 237 L HA -0.180 4.160 4.340 -0.000 0.000 0.214 237 L C 2.511 179.342 176.870 -0.066 0.000 1.097 237 L CA 2.539 57.343 54.840 -0.059 0.000 0.764 237 L CB -0.799 41.239 42.059 -0.034 0.000 0.900 237 L HN 0.687 nan 8.230 nan 0.000 0.436 238 E N -1.494 118.668 120.200 -0.065 0.000 2.276 238 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 238 E C 2.061 178.611 176.600 -0.083 0.000 0.983 238 E CA 0.620 56.984 56.400 -0.059 0.000 0.861 238 E CB 0.057 29.730 29.700 -0.044 0.000 0.817 238 E HN 0.544 nan 8.360 nan 0.000 0.485 239 A N 1.118 123.868 122.820 -0.115 0.000 1.873 239 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 239 A C 2.313 179.759 177.584 -0.229 0.000 1.186 239 A CA 1.585 53.526 52.037 -0.159 0.000 0.616 239 A CB -0.841 18.048 19.000 -0.184 0.000 0.823 239 A HN 0.298 nan 8.150 nan 0.000 0.442 240 V N -3.027 116.714 119.914 -0.288 0.000 3.380 240 V HA 0.251 4.371 4.120 -0.000 0.000 0.268 240 V C 2.102 178.122 176.094 -0.123 0.000 1.168 240 V CA 1.293 63.392 62.300 -0.336 0.000 1.156 240 V CB -1.032 30.600 31.823 -0.318 0.000 0.785 240 V HN 0.487 nan 8.190 nan 0.000 0.487 241 A N 0.997 123.761 122.820 -0.093 0.000 1.861 241 A HA 0.049 4.369 4.320 -0.000 0.000 0.212 241 A C 2.238 179.804 177.584 -0.030 0.000 1.199 241 A CA 1.363 53.373 52.037 -0.045 0.000 0.613 241 A CB -0.353 18.622 19.000 -0.040 0.000 0.846 241 A HN 0.511 nan 8.150 nan 0.000 0.446 242 K N -0.043 120.332 120.400 -0.042 0.000 2.459 242 K HA 0.200 4.520 4.320 -0.000 0.000 0.193 242 K C 1.607 178.200 176.600 -0.012 0.000 1.030 242 K CA 0.558 56.831 56.287 -0.024 0.000 1.026 242 K CB -0.014 32.468 32.500 -0.029 0.000 0.809 242 K HN 0.418 nan 8.250 nan 0.000 0.504 243 A N 0.648 123.454 122.820 -0.024 0.000 2.178 243 A HA 0.161 4.481 4.320 -0.000 0.000 0.211 243 A C 1.519 179.164 177.584 0.102 0.000 1.157 243 A CA 0.713 52.772 52.037 0.036 0.000 0.780 243 A CB -0.294 18.674 19.000 -0.053 0.000 0.828 243 A HN 0.351 nan 8.150 nan 0.000 0.476 244 G N -0.407 108.429 108.800 0.060 0.000 2.203 244 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.263 244 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.263 244 G C 0.163 175.121 174.900 0.097 0.000 1.012 244 G CA 1.095 46.232 45.100 0.062 0.000 0.749 244 G HN 0.624 nan 8.290 nan 0.000 0.512 245 K N -0.142 120.363 120.400 0.176 0.000 2.340 245 K HA 0.570 4.890 4.320 -0.000 0.000 0.244 245 K C -2.533 174.178 176.600 0.186 0.000 0.973 245 K CA -2.258 54.152 56.287 0.205 0.000 0.828 245 K CB 2.030 34.734 32.500 0.341 0.000 1.226 245 K HN -0.037 nan 8.250 nan 0.000 0.437 246 P HA 0.172 nan 4.420 nan 0.000 0.275 246 P C -1.256 176.131 177.300 0.145 0.000 1.266 246 P CA -0.631 62.515 63.100 0.076 0.000 0.793 246 P CB 0.524 32.237 31.700 0.022 0.000 1.074 247 L N 0.781 122.048 121.223 0.074 0.000 2.472 247 L HA 0.506 4.846 4.340 -0.000 0.000 0.260 247 L C -1.927 174.959 176.870 0.027 0.000 0.963 247 L CA -0.808 54.092 54.840 0.100 0.000 0.829 247 L CB 1.798 43.902 42.059 0.074 0.000 1.348 247 L HN 0.281 nan 8.230 nan 0.000 0.408 248 L N 4.916 126.170 121.223 0.052 0.000 2.342 248 L HA 0.644 4.984 4.340 -0.000 0.000 0.271 248 L C -1.005 175.898 176.870 0.054 0.000 1.008 248 L CA -0.562 54.297 54.840 0.033 0.000 0.818 248 L CB 2.080 44.165 42.059 0.043 0.000 1.296 248 L HN 0.663 nan 8.230 nan 0.000 0.427 249 I N 4.552 125.156 120.570 0.057 0.000 2.646 249 I HA 0.496 4.666 4.170 -0.000 0.000 0.299 249 I C -0.698 175.480 176.117 0.101 0.000 1.036 249 I CA -0.671 60.671 61.300 0.071 0.000 1.074 249 I CB 2.540 40.576 38.000 0.060 0.000 1.258 249 I HN 0.449 nan 8.210 nan 0.000 0.430 250 I N 4.548 125.170 120.570 0.088 0.000 2.563 250 I HA 0.701 4.871 4.170 -0.000 0.000 0.285 250 I C -0.414 175.731 176.117 0.047 0.000 1.123 250 I CA -0.114 61.237 61.300 0.086 0.000 1.059 250 I CB 1.777 39.837 38.000 0.100 0.000 1.229 250 I HN 0.778 nan 8.210 nan 0.000 0.442 251 A N 4.557 127.400 122.820 0.040 0.000 2.493 251 A HA 0.535 4.855 4.320 -0.000 0.000 0.300 251 A C 0.509 178.106 177.584 0.022 0.000 1.152 251 A CA -0.489 51.562 52.037 0.024 0.000 0.643 251 A CB 0.952 19.971 19.000 0.031 0.000 1.316 251 A HN 0.500 nan 8.150 nan 0.000 0.469 252 E N 0.450 120.662 120.200 0.020 0.000 2.072 252 E HA -0.186 4.164 4.350 -0.000 0.000 0.218 252 E C 0.143 176.762 176.600 0.030 0.000 1.051 252 E CA 2.184 58.597 56.400 0.022 0.000 0.880 252 E CB 0.023 29.736 29.700 0.023 0.000 0.783 252 E HN 0.635 nan 8.360 nan 0.000 0.473 253 D N -2.527 117.895 120.400 0.037 0.000 3.010 253 D HA 0.216 4.856 4.640 -0.000 0.000 0.353 253 D C -1.636 174.695 176.300 0.051 0.000 1.415 253 D CA -0.395 53.633 54.000 0.046 0.000 0.864 253 D CB 1.359 42.180 40.800 0.036 0.000 1.445 253 D HN -0.138 nan 8.370 nan 0.000 0.516 254 V N 1.594 121.541 119.914 0.055 0.000 2.577 254 V HA 0.285 4.405 4.120 -0.000 0.000 0.294 254 V C -0.885 175.234 176.094 0.042 0.000 1.052 254 V CA -0.744 61.590 62.300 0.056 0.000 0.891 254 V CB 1.586 33.460 31.823 0.084 0.000 1.017 254 V HN 0.383 nan 8.190 nan 0.000 0.436 255 E N 2.376 122.594 120.200 0.030 0.000 2.354 255 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 255 E C 1.454 178.064 176.600 0.016 0.000 1.036 255 E CA 0.674 57.084 56.400 0.018 0.000 0.876 255 E CB 1.280 30.988 29.700 0.013 0.000 1.009 255 E HN 0.713 nan 8.360 nan 0.000 0.416 256 G N 2.691 111.493 108.800 0.003 0.000 2.663 256 G HA2 -0.465 3.495 3.960 -0.000 0.000 0.222 256 G HA3 -0.465 3.495 3.960 -0.000 0.000 0.222 256 G C 1.312 176.212 174.900 -0.000 0.000 1.146 256 G CA 1.526 46.622 45.100 -0.007 0.000 0.764 256 G HN 0.733 nan 8.290 nan 0.000 0.608 257 E N 0.392 120.593 120.200 0.002 0.000 2.082 257 E HA -0.260 4.090 4.350 -0.000 0.000 0.215 257 E C 2.656 179.263 176.600 0.011 0.000 1.048 257 E CA 1.970 58.372 56.400 0.004 0.000 0.869 257 E CB -0.406 29.297 29.700 0.005 0.000 0.773 257 E HN 0.442 nan 8.360 nan 0.000 0.466 258 A N 0.456 123.287 122.820 0.019 0.000 1.943 258 A HA 0.055 4.375 4.320 -0.000 0.000 0.213 258 A C 2.123 179.735 177.584 0.047 0.000 1.181 258 A CA 0.601 52.656 52.037 0.029 0.000 0.653 258 A CB -0.442 18.577 19.000 0.032 0.000 0.833 258 A HN 0.410 nan 8.150 nan 0.000 0.451 259 L N -0.216 121.036 121.223 0.047 0.000 1.937 259 L HA -0.096 4.244 4.340 -0.000 0.000 0.213 259 L C 2.826 179.723 176.870 0.045 0.000 1.077 259 L CA 1.676 56.556 54.840 0.068 0.000 0.758 259 L CB -0.579 41.507 42.059 0.045 0.000 0.888 259 L HN 0.357 nan 8.230 nan 0.000 0.433 260 A N -0.287 122.530 122.820 -0.005 0.000 1.954 260 A HA -0.363 3.957 4.320 -0.000 0.000 0.222 260 A C 2.296 179.870 177.584 -0.016 0.000 1.199 260 A CA 3.173 55.184 52.037 -0.043 0.000 0.657 260 A CB -1.651 17.317 19.000 -0.053 0.000 0.823 260 A HN 0.757 nan 8.150 nan 0.000 0.463 261 T N -1.445 113.115 114.554 0.010 0.000 2.684 261 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 261 T C 1.839 176.566 174.700 0.046 0.000 1.036 261 T CA 1.527 63.639 62.100 0.019 0.000 1.148 261 T CB -0.712 68.167 68.868 0.019 0.000 0.863 261 T HN 0.345 nan 8.240 nan 0.000 0.436 262 L N 0.867 122.140 121.223 0.083 0.000 1.989 262 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 262 L C 3.017 180.007 176.870 0.200 0.000 1.071 262 L CA 1.216 56.133 54.840 0.128 0.000 0.749 262 L CB -0.989 41.174 42.059 0.173 0.000 0.890 262 L HN 0.168 nan 8.230 nan 0.000 0.431 263 V N -0.185 119.870 119.914 0.236 0.000 2.236 263 V HA -0.365 3.755 4.120 -0.000 0.000 0.255 263 V C 2.417 178.585 176.094 0.123 0.000 1.068 263 V CA 2.306 64.721 62.300 0.193 0.000 1.044 263 V CB -0.711 31.051 31.823 -0.102 0.000 0.653 263 V HN 0.250 nan 8.190 nan 0.000 0.448 264 V N 0.450 120.388 119.914 0.040 0.000 2.270 264 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 264 V C 2.420 178.547 176.094 0.055 0.000 1.043 264 V CA 2.177 64.496 62.300 0.031 0.000 1.014 264 V CB -1.102 30.721 31.823 0.001 0.000 0.645 264 V HN 0.693 nan 8.190 nan 0.000 0.447 265 N N 0.847 119.579 118.700 0.053 0.000 2.187 265 N HA -0.261 4.479 4.740 -0.000 0.000 0.194 265 N C 1.798 177.336 175.510 0.047 0.000 1.002 265 N CA 2.726 55.801 53.050 0.042 0.000 0.882 265 N CB -0.061 38.449 38.487 0.038 0.000 1.003 265 N HN 0.751 nan 8.380 nan 0.000 0.443 266 T N -1.663 112.938 114.554 0.078 0.000 2.988 266 T HA 0.079 4.429 4.350 -0.000 0.000 0.240 266 T C 1.414 176.167 174.700 0.088 0.000 1.014 266 T CA 0.230 62.373 62.100 0.072 0.000 1.155 266 T CB -0.506 68.409 68.868 0.079 0.000 0.872 266 T HN 0.283 nan 8.240 nan 0.000 0.440 267 M N 1.884 121.562 119.600 0.129 0.000 2.921 267 M HA 0.563 5.043 4.480 -0.000 0.000 0.319 267 M C 0.543 176.891 176.300 0.079 0.000 1.710 267 M CA 0.552 55.926 55.300 0.124 0.000 1.471 267 M CB -1.157 31.554 32.600 0.184 0.000 1.832 267 M HN 0.538 nan 8.290 nan 0.000 0.467 268 R N 1.062 121.597 120.500 0.057 0.000 3.125 268 R HA 0.082 4.422 4.340 -0.000 0.000 0.258 268 R C -0.322 175.999 176.300 0.034 0.000 0.968 268 R CA 0.845 56.969 56.100 0.039 0.000 0.656 268 R CB -3.059 27.265 30.300 0.039 0.000 1.251 268 R HN 1.657 nan 8.270 nan 0.000 0.428 269 G N -1.070 107.748 108.800 0.031 0.000 2.690 269 G HA2 0.706 4.666 3.960 -0.000 0.000 0.291 269 G HA3 0.706 4.666 3.960 -0.000 0.000 0.291 269 G C 0.927 175.837 174.900 0.016 0.000 1.403 269 G CA -0.276 44.839 45.100 0.024 0.000 0.864 269 G HN 0.506 nan 8.290 nan 0.000 0.480 270 I N -0.250 120.326 120.570 0.010 0.000 2.126 270 I HA -0.144 4.026 4.170 -0.000 0.000 0.200 270 I C 1.076 177.195 176.117 0.003 0.000 1.014 270 I CA 0.947 62.251 61.300 0.005 0.000 1.339 270 I CB -0.414 37.587 38.000 0.002 0.000 1.086 270 I HN 0.050 nan 8.210 nan 0.000 0.393 271 V N 2.430 122.343 119.914 -0.002 0.000 2.450 271 V HA -0.014 4.106 4.120 -0.000 0.000 0.281 271 V C 0.220 176.307 176.094 -0.011 0.000 1.019 271 V CA 0.114 62.410 62.300 -0.007 0.000 1.062 271 V CB 0.147 31.961 31.823 -0.015 0.000 0.979 271 V HN 0.266 nan 8.190 nan 0.000 0.477 272 K N 4.944 125.335 120.400 -0.015 0.000 2.293 272 K HA 0.663 4.983 4.320 -0.000 0.000 0.267 272 K C -0.613 175.946 176.600 -0.067 0.000 1.010 272 K CA -0.423 55.846 56.287 -0.030 0.000 0.875 272 K CB 1.362 33.854 32.500 -0.013 0.000 1.106 272 K HN 0.665 nan 8.250 nan 0.000 0.450 273 V N -0.321 119.512 119.914 -0.136 0.000 3.112 273 V HA 0.990 5.110 4.120 -0.000 0.000 0.310 273 V C -1.395 174.396 176.094 -0.505 0.000 1.364 273 V CA -0.828 61.348 62.300 -0.208 0.000 1.058 273 V CB 1.448 33.195 31.823 -0.127 0.000 1.079 273 V HN 0.782 nan 8.190 nan 0.000 0.463 274 A N -0.498 122.008 122.820 -0.524 0.000 2.599 274 A HA 1.107 5.427 4.320 -0.000 0.000 0.290 274 A C -0.594 176.817 177.584 -0.289 0.000 1.101 274 A CA -0.325 51.144 52.037 -0.946 0.000 0.674 274 A CB 1.147 19.556 19.000 -0.986 0.000 1.277 274 A HN 2.793 nan 8.150 nan 0.000 0.419 275 A N -0.705 122.112 122.820 -0.004 0.000 2.594 275 A HA 0.878 5.198 4.320 -0.000 0.000 0.295 275 A C -0.827 176.922 177.584 0.275 0.000 1.071 275 A CA 0.022 52.153 52.037 0.157 0.000 0.685 275 A CB 1.194 20.279 19.000 0.142 0.000 1.285 275 A HN 2.392 nan 8.150 nan 0.000 0.405 276 V N -1.315 118.730 119.914 0.218 0.000 3.049 276 V HA 0.670 4.790 4.120 -0.000 0.000 0.309 276 V C -0.413 175.786 176.094 0.174 0.000 1.148 276 V CA -1.268 61.167 62.300 0.225 0.000 0.990 276 V CB 1.387 33.368 31.823 0.264 0.000 1.039 276 V HN 0.948 nan 8.190 nan 0.000 0.430 277 K N 1.684 122.165 120.400 0.135 0.000 2.344 277 K HA 0.580 4.900 4.320 -0.000 0.000 0.260 277 K C 0.383 176.986 176.600 0.006 0.000 0.988 277 K CA 0.521 56.850 56.287 0.070 0.000 0.909 277 K CB 0.572 33.102 32.500 0.051 0.000 0.968 277 K HN 1.139 nan 8.250 nan 0.000 0.505 278 A N 3.015 125.799 122.820 -0.061 0.000 2.316 278 A HA 0.352 4.672 4.320 -0.000 0.000 0.284 278 A C -2.109 175.321 177.584 -0.257 0.000 1.115 278 A CA -1.480 50.436 52.037 -0.201 0.000 0.812 278 A CB -0.010 18.917 19.000 -0.123 0.000 1.064 278 A HN 0.498 nan 8.150 nan 0.000 0.489 279 P HA 0.365 nan 4.420 nan 0.000 0.272 279 P C 0.549 177.773 177.300 -0.127 0.000 1.240 279 P CA 1.194 64.090 63.100 -0.339 0.000 0.791 279 P CB 0.450 31.822 31.700 -0.548 0.000 0.978 280 G N 0.855 109.658 108.800 0.005 0.000 2.901 280 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.654 280 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.654 280 G C -0.820 174.181 174.900 0.169 0.000 1.550 280 G CA -0.222 44.917 45.100 0.065 0.000 0.978 280 G HN 0.656 nan 8.290 nan 0.000 0.566 281 F N -0.298 119.635 119.950 -0.028 0.000 2.565 281 F HA 0.835 5.362 4.527 -0.000 0.000 0.313 281 F C 0.942 176.737 175.800 -0.008 0.000 1.091 281 F CA -0.305 57.685 58.000 -0.017 0.000 0.915 281 F CB 1.241 40.239 39.000 -0.003 0.000 1.208 281 F HN 2.316 nan 8.300 nan 0.000 0.453 282 G N 2.309 111.149 108.800 0.066 0.000 2.527 282 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.268 282 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.268 282 G C 0.495 175.354 174.900 -0.068 0.000 1.175 282 G CA 0.425 45.523 45.100 -0.003 0.000 0.962 282 G HN 0.762 nan 8.290 nan 0.000 0.560 283 D N 0.398 120.745 120.400 -0.088 0.000 2.172 283 D HA -0.135 4.505 4.640 -0.000 0.000 0.196 283 D C 2.434 178.666 176.300 -0.114 0.000 0.999 283 D CA 1.699 55.648 54.000 -0.085 0.000 0.856 283 D CB -0.134 40.617 40.800 -0.081 0.000 0.934 283 D HN 0.320 nan 8.370 nan 0.000 0.453 284 R N 1.066 121.456 120.500 -0.183 0.000 2.103 284 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 284 R C 2.379 178.602 176.300 -0.129 0.000 1.132 284 R CA 1.859 57.843 56.100 -0.192 0.000 0.925 284 R CB -0.517 29.601 30.300 -0.303 0.000 0.842 284 R HN 0.317 nan 8.270 nan 0.000 0.430 285 R N 0.808 121.243 120.500 -0.108 0.000 2.153 285 R HA -0.212 4.128 4.340 -0.000 0.000 0.252 285 R C 1.634 177.894 176.300 -0.068 0.000 1.158 285 R CA 1.673 57.726 56.100 -0.078 0.000 0.975 285 R CB -0.519 29.755 30.300 -0.043 0.000 0.871 285 R HN 0.034 nan 8.270 nan 0.000 0.450 286 K N 1.045 121.410 120.400 -0.058 0.000 1.998 286 K HA -0.232 4.088 4.320 -0.000 0.000 0.228 286 K C 2.306 178.879 176.600 -0.045 0.000 1.053 286 K CA 2.190 58.450 56.287 -0.045 0.000 0.988 286 K CB -0.951 31.524 32.500 -0.043 0.000 0.735 286 K HN 0.412 nan 8.250 nan 0.000 0.448 287 A N 1.744 124.532 122.820 -0.052 0.000 1.858 287 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 287 A C 2.290 179.845 177.584 -0.047 0.000 1.190 287 A CA 2.038 54.047 52.037 -0.046 0.000 0.617 287 A CB -0.454 18.515 19.000 -0.052 0.000 0.827 287 A HN 0.251 nan 8.150 nan 0.000 0.443 288 M N -1.259 118.303 119.600 -0.064 0.000 3.092 288 M HA -0.295 4.185 4.480 -0.000 0.000 0.270 288 M C 2.218 178.482 176.300 -0.061 0.000 1.042 288 M CA 2.296 57.553 55.300 -0.073 0.000 1.052 288 M CB -1.542 30.994 32.600 -0.107 0.000 1.250 288 M HN 0.478 nan 8.290 nan 0.000 0.529 289 L N 0.505 121.688 121.223 -0.067 0.000 2.013 289 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 289 L C 2.596 179.456 176.870 -0.016 0.000 1.073 289 L CA 2.323 57.136 54.840 -0.045 0.000 0.753 289 L CB -0.994 41.041 42.059 -0.039 0.000 0.890 289 L HN 0.416 nan 8.230 nan 0.000 0.432 290 Q N 0.019 119.809 119.800 -0.017 0.000 2.062 290 Q HA -0.280 4.060 4.340 -0.000 0.000 0.209 290 Q C 1.777 177.777 176.000 -0.001 0.000 0.996 290 Q CA 2.540 58.339 55.803 -0.008 0.000 0.859 290 Q CB -0.659 28.072 28.738 -0.013 0.000 0.920 290 Q HN 0.649 nan 8.270 nan 0.000 0.415 291 D N -0.164 120.233 120.400 -0.005 0.000 2.154 291 D HA -0.217 4.423 4.640 -0.000 0.000 0.190 291 D C 1.858 178.171 176.300 0.020 0.000 1.003 291 D CA 2.021 56.024 54.000 0.004 0.000 0.849 291 D CB -0.348 40.454 40.800 0.002 0.000 0.942 291 D HN 0.389 nan 8.370 nan 0.000 0.446 292 I N 0.799 121.388 120.570 0.032 0.000 2.127 292 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 292 I C 2.492 178.635 176.117 0.043 0.000 1.075 292 I CA 1.177 62.511 61.300 0.057 0.000 1.334 292 I CB -0.463 37.588 38.000 0.084 0.000 1.040 292 I HN 0.003 nan 8.210 nan 0.000 0.405 293 A N 0.839 123.678 122.820 0.032 0.000 1.870 293 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 293 A C 2.378 179.976 177.584 0.023 0.000 1.224 293 A CA 3.120 55.174 52.037 0.028 0.000 0.650 293 A CB -1.455 17.556 19.000 0.019 0.000 0.836 293 A HN 0.439 nan 8.150 nan 0.000 0.454 294 T N 0.042 114.606 114.554 0.017 0.000 2.592 294 T HA -0.265 4.085 4.350 -0.000 0.000 0.267 294 T C 1.836 176.544 174.700 0.014 0.000 1.060 294 T CA 1.920 64.028 62.100 0.013 0.000 1.167 294 T CB -0.647 68.226 68.868 0.008 0.000 0.863 294 T HN 0.419 nan 8.240 nan 0.000 0.431 295 L N 1.590 122.824 121.223 0.017 0.000 2.043 295 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 295 L C 2.598 179.476 176.870 0.013 0.000 1.075 295 L CA 2.582 57.431 54.840 0.016 0.000 0.752 295 L CB -1.323 40.750 42.059 0.024 0.000 0.891 295 L HN 0.529 nan 8.230 nan 0.000 0.432 296 T N -3.649 110.917 114.554 0.021 0.000 3.088 296 T HA 0.233 4.583 4.350 -0.000 0.000 0.259 296 T C 1.438 176.148 174.700 0.015 0.000 1.122 296 T CA 0.411 62.521 62.100 0.017 0.000 1.095 296 T CB -0.576 68.311 68.868 0.031 0.000 0.930 296 T HN 0.791 nan 8.240 nan 0.000 0.508 297 G N 0.650 109.460 108.800 0.017 0.000 2.221 297 G HA2 0.014 3.974 3.960 -0.000 0.000 0.265 297 G HA3 0.014 3.974 3.960 -0.000 0.000 0.265 297 G C 0.296 175.212 174.900 0.027 0.000 1.041 297 G CA -0.101 45.010 45.100 0.017 0.000 0.807 297 G HN 1.051 nan 8.290 nan 0.000 0.502 298 G N -1.592 107.228 108.800 0.032 0.000 2.552 298 G HA2 0.733 4.693 3.960 -0.000 0.000 0.324 298 G HA3 0.733 4.693 3.960 -0.000 0.000 0.324 298 G C -0.271 174.648 174.900 0.032 0.000 1.217 298 G CA 0.147 45.271 45.100 0.041 0.000 0.989 298 G HN 0.514 nan 8.290 nan 0.000 0.490 299 T N 0.267 114.840 114.554 0.032 0.000 2.829 299 T HA 0.446 4.796 4.350 -0.000 0.000 0.282 299 T C 0.279 174.992 174.700 0.021 0.000 0.990 299 T CA -0.286 61.828 62.100 0.023 0.000 1.028 299 T CB 1.392 70.272 68.868 0.020 0.000 0.951 299 T HN 0.769 nan 8.240 nan 0.000 0.460 300 V N 1.723 121.646 119.914 0.015 0.000 2.385 300 V HA 0.507 4.627 4.120 -0.000 0.000 0.269 300 V C -0.204 175.895 176.094 0.009 0.000 1.043 300 V CA -0.928 61.380 62.300 0.012 0.000 0.906 300 V CB -0.171 31.656 31.823 0.007 0.000 0.995 300 V HN 0.647 nan 8.190 nan 0.000 0.467 301 I N 4.906 125.482 120.570 0.010 0.000 2.311 301 I HA 0.248 4.418 4.170 -0.000 0.000 0.297 301 I C 0.821 176.942 176.117 0.006 0.000 1.131 301 I CA 0.935 62.240 61.300 0.008 0.000 1.289 301 I CB 0.178 38.183 38.000 0.009 0.000 1.446 301 I HN 0.681 nan 8.210 nan 0.000 0.524 302 S N 5.744 121.447 115.700 0.004 0.000 2.429 302 S HA 0.277 4.747 4.470 -0.000 0.000 0.302 302 S C 1.055 175.657 174.600 0.003 0.000 1.115 302 S CA -0.716 57.486 58.200 0.002 0.000 1.095 302 S CB 1.384 64.584 63.200 0.000 0.000 0.987 302 S HN 0.464 nan 8.310 nan 0.000 0.474 303 E N 2.264 122.466 120.200 0.003 0.000 2.268 303 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 303 E C 0.517 177.118 176.600 0.002 0.000 0.995 303 E CA 0.785 57.187 56.400 0.003 0.000 0.836 303 E CB 0.003 29.706 29.700 0.005 0.000 0.763 303 E HN 0.719 nan 8.360 nan 0.000 0.491 304 E N 0.154 120.355 120.200 0.002 0.000 2.382 304 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 304 E C 0.992 177.592 176.600 0.000 0.000 1.125 304 E CA 0.059 56.460 56.400 0.001 0.000 0.929 304 E CB 0.042 29.742 29.700 -0.000 0.000 1.053 304 E HN 0.264 nan 8.360 nan 0.000 0.475 305 I N -2.104 118.466 120.570 0.001 0.000 4.765 305 I HA 0.160 4.330 4.170 -0.000 0.000 0.349 305 I C 1.331 177.449 176.117 0.001 0.000 1.278 305 I CA 0.046 61.346 61.300 0.000 0.000 1.331 305 I CB 1.147 39.148 38.000 0.001 0.000 1.570 305 I HN 0.236 nan 8.210 nan 0.000 0.538 306 G N 2.020 110.821 108.800 0.001 0.000 2.284 306 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.247 306 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.247 306 G C 0.483 175.384 174.900 0.001 0.000 1.012 306 G CA 0.038 45.139 45.100 0.001 0.000 0.618 306 G HN 0.258 nan 8.290 nan 0.000 0.521 307 M N 1.225 120.826 119.600 0.002 0.000 2.261 307 M HA 0.344 4.824 4.480 -0.000 0.000 0.350 307 M C 0.550 176.852 176.300 0.002 0.000 1.343 307 M CA 1.005 56.306 55.300 0.002 0.000 1.003 307 M CB 0.457 33.058 32.600 0.002 0.000 1.848 307 M HN 0.416 nan 8.290 nan 0.000 0.456 308 E N 2.211 122.411 120.200 0.001 0.000 2.355 308 E HA 0.370 4.720 4.350 -0.000 0.000 0.261 308 E C 0.141 176.742 176.600 0.001 0.000 0.943 308 E CA -0.679 55.722 56.400 0.002 0.000 0.806 308 E CB 1.486 31.187 29.700 0.001 0.000 1.286 308 E HN 0.733 nan 8.360 nan 0.000 0.424 309 L N 0.819 122.043 121.223 0.001 0.000 2.044 309 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 309 L C 2.146 179.013 176.870 -0.006 0.000 1.075 309 L CA 1.079 55.919 54.840 -0.001 0.000 0.747 309 L CB -0.423 41.637 42.059 0.002 0.000 0.903 309 L HN 0.623 nan 8.230 nan 0.000 0.435 310 E N 0.573 120.770 120.200 -0.005 0.000 2.219 310 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 310 E C 0.441 177.035 176.600 -0.009 0.000 0.998 310 E CA 0.998 57.394 56.400 -0.008 0.000 0.818 310 E CB -0.038 29.658 29.700 -0.006 0.000 0.741 310 E HN 0.220 nan 8.360 nan 0.000 0.477 311 K N 0.721 121.118 120.400 -0.006 0.000 2.502 311 K HA 0.347 4.667 4.320 -0.000 0.000 0.244 311 K C -1.021 175.575 176.600 -0.006 0.000 1.249 311 K CA -0.060 56.223 56.287 -0.006 0.000 1.193 311 K CB 1.103 33.601 32.500 -0.003 0.000 1.674 311 K HN 0.062 nan 8.250 nan 0.000 0.302 312 A N 0.345 123.159 122.820 -0.011 0.000 2.547 312 A HA 0.614 4.934 4.320 -0.000 0.000 0.298 312 A C -0.724 176.847 177.584 -0.023 0.000 1.062 312 A CA -0.750 51.280 52.037 -0.012 0.000 0.748 312 A CB 1.166 20.161 19.000 -0.009 0.000 1.288 312 A HN 0.246 nan 8.150 nan 0.000 0.396 313 T N 2.068 116.610 114.554 -0.021 0.000 2.916 313 T HA 0.469 4.819 4.350 -0.000 0.000 0.292 313 T C 1.247 175.929 174.700 -0.030 0.000 1.055 313 T CA -0.572 61.508 62.100 -0.033 0.000 1.009 313 T CB 1.097 69.951 68.868 -0.024 0.000 1.118 313 T HN 0.499 nan 8.240 nan 0.000 0.497 314 L N 1.287 122.475 121.223 -0.059 0.000 2.085 314 L HA -0.240 4.100 4.340 -0.000 0.000 0.218 314 L C 2.559 179.457 176.870 0.047 0.000 1.080 314 L CA 1.988 56.804 54.840 -0.040 0.000 0.776 314 L CB -1.180 40.834 42.059 -0.075 0.000 0.891 314 L HN 0.878 nan 8.230 nan 0.000 0.437 315 E N -0.975 119.245 120.200 0.033 0.000 2.444 315 E HA -0.246 4.104 4.350 -0.000 0.000 0.204 315 E C 0.770 177.395 176.600 0.041 0.000 1.049 315 E CA 1.483 57.908 56.400 0.041 0.000 0.872 315 E CB -0.401 29.313 29.700 0.024 0.000 0.791 315 E HN 0.621 nan 8.360 nan 0.000 0.548 316 D N 0.063 120.485 120.400 0.037 0.000 2.417 316 D HA 0.100 4.740 4.640 -0.000 0.000 0.207 316 D C 0.117 176.449 176.300 0.053 0.000 1.075 316 D CA -0.059 53.962 54.000 0.035 0.000 0.851 316 D CB 0.376 41.187 40.800 0.020 0.000 0.976 316 D HN 0.116 nan 8.370 nan 0.000 0.505 317 L N 0.961 122.234 121.223 0.083 0.000 2.418 317 L HA 0.399 4.739 4.340 -0.000 0.000 0.265 317 L C 1.357 178.303 176.870 0.127 0.000 1.143 317 L CA -0.099 54.816 54.840 0.125 0.000 0.809 317 L CB 0.942 43.129 42.059 0.213 0.000 1.124 317 L HN -0.165 nan 8.230 nan 0.000 0.456 318 G N 0.416 109.279 108.800 0.106 0.000 2.557 318 G HA2 0.682 4.642 3.960 -0.000 0.000 0.302 318 G HA3 0.682 4.642 3.960 -0.000 0.000 0.302 318 G C -1.128 173.799 174.900 0.044 0.000 1.311 318 G CA -0.348 44.792 45.100 0.066 0.000 1.030 318 G HN 0.506 nan 8.290 nan 0.000 0.509 319 Q N -1.663 118.133 119.800 -0.008 0.000 2.386 319 Q HA 0.555 4.895 4.340 -0.000 0.000 0.274 319 Q C -1.320 174.640 176.000 -0.067 0.000 1.011 319 Q CA -0.754 55.001 55.803 -0.079 0.000 0.867 319 Q CB 2.541 31.185 28.738 -0.156 0.000 1.409 319 Q HN 0.878 nan 8.270 nan 0.000 0.395 320 A N 1.282 124.053 122.820 -0.082 0.000 2.486 320 A HA 0.420 4.740 4.320 -0.000 0.000 0.300 320 A C -0.185 177.351 177.584 -0.079 0.000 1.048 320 A CA -0.659 51.341 52.037 -0.063 0.000 0.696 320 A CB 1.298 20.275 19.000 -0.039 0.000 1.278 320 A HN 0.756 nan 8.150 nan 0.000 0.405 321 K N 0.166 120.525 120.400 -0.069 0.000 2.281 321 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 321 K C 0.669 177.233 176.600 -0.060 0.000 1.046 321 K CA 1.305 57.550 56.287 -0.069 0.000 0.938 321 K CB 0.026 32.494 32.500 -0.054 0.000 0.737 321 K HN 0.614 nan 8.250 nan 0.000 0.458 322 R N -1.273 119.196 120.500 -0.051 0.000 2.766 322 R HA 0.523 4.863 4.340 -0.000 0.000 0.270 322 R C -1.903 174.373 176.300 -0.042 0.000 1.035 322 R CA -0.792 55.281 56.100 -0.044 0.000 0.911 322 R CB 2.673 32.951 30.300 -0.037 0.000 1.243 322 R HN -0.105 nan 8.270 nan 0.000 0.460 323 V N 1.013 120.905 119.914 -0.037 0.000 2.915 323 V HA 0.479 4.599 4.120 -0.000 0.000 0.273 323 V C -1.923 174.153 176.094 -0.030 0.000 1.538 323 V CA -0.578 61.697 62.300 -0.041 0.000 0.946 323 V CB 1.917 33.718 31.823 -0.035 0.000 1.183 323 V HN 0.618 nan 8.190 nan 0.000 0.446 324 V N 4.741 124.633 119.914 -0.037 0.000 2.789 324 V HA 0.914 5.034 4.120 -0.000 0.000 0.311 324 V C -1.066 175.024 176.094 -0.007 0.000 1.073 324 V CA -0.672 61.621 62.300 -0.011 0.000 0.921 324 V CB 1.860 33.678 31.823 -0.009 0.000 1.009 324 V HN 0.830 nan 8.190 nan 0.000 0.426 325 I N 4.659 125.261 120.570 0.054 0.000 2.689 325 I HA 0.641 4.811 4.170 -0.000 0.000 0.299 325 I C -0.134 176.087 176.117 0.173 0.000 1.059 325 I CA -0.304 61.053 61.300 0.096 0.000 1.055 325 I CB 2.196 40.305 38.000 0.181 0.000 1.243 325 I HN 1.013 nan 8.210 nan 0.000 0.425 326 N N 4.019 122.794 118.700 0.125 0.000 2.701 326 N HA 0.321 5.061 4.740 -0.000 0.000 0.290 326 N C 0.615 176.110 175.510 -0.024 0.000 1.338 326 N CA -0.776 52.367 53.050 0.156 0.000 0.799 326 N CB 1.310 39.841 38.487 0.074 0.000 1.491 326 N HN 0.560 nan 8.380 nan 0.000 0.540 327 K N -0.381 120.018 120.400 -0.001 0.000 2.137 327 K HA -0.259 4.061 4.320 -0.000 0.000 0.216 327 K C -0.457 175.851 176.600 -0.486 0.000 1.052 327 K CA 2.930 59.035 56.287 -0.302 0.000 0.939 327 K CB -0.354 32.117 32.500 -0.049 0.000 0.724 327 K HN 0.812 nan 8.250 nan 0.000 0.465 328 D N -1.627 118.637 120.400 -0.226 0.000 2.914 328 D HA 0.144 4.784 4.640 -0.000 0.000 0.349 328 D C -1.072 175.195 176.300 -0.056 0.000 1.540 328 D CA -0.433 53.477 54.000 -0.151 0.000 0.778 328 D CB 0.623 41.369 40.800 -0.089 0.000 1.213 328 D HN -0.023 nan 8.370 nan 0.000 0.451 329 T N -0.201 114.319 114.554 -0.056 0.000 3.295 329 T HA 0.452 4.802 4.350 -0.000 0.000 0.331 329 T C -0.832 173.811 174.700 -0.096 0.000 1.142 329 T CA -0.407 61.670 62.100 -0.039 0.000 1.078 329 T CB 2.025 70.878 68.868 -0.024 0.000 1.150 329 T HN -0.072 nan 8.240 nan 0.000 0.465 330 T N 2.254 116.667 114.554 -0.234 0.000 2.895 330 T HA 0.799 5.149 4.350 -0.000 0.000 0.283 330 T C -0.271 174.106 174.700 -0.538 0.000 1.014 330 T CA -0.621 61.242 62.100 -0.396 0.000 1.037 330 T CB 1.687 70.214 68.868 -0.570 0.000 1.006 330 T HN 0.680 nan 8.240 nan 0.000 0.468 331 T N 2.427 116.771 114.554 -0.350 0.000 3.395 331 T HA 0.538 4.888 4.350 -0.000 0.000 0.330 331 T C -0.941 173.659 174.700 -0.166 0.000 1.076 331 T CA -0.855 61.085 62.100 -0.266 0.000 1.070 331 T CB 0.124 68.894 68.868 -0.163 0.000 1.119 331 T HN 0.631 nan 8.240 nan 0.000 0.462 332 I N 2.753 123.241 120.570 -0.137 0.000 2.607 332 I HA 0.771 4.941 4.170 -0.000 0.000 0.305 332 I C -0.949 175.136 176.117 -0.053 0.000 0.995 332 I CA -1.351 59.905 61.300 -0.073 0.000 1.148 332 I CB 1.762 39.738 38.000 -0.040 0.000 1.323 332 I HN 0.559 nan 8.210 nan 0.000 0.461 333 I N 3.267 123.811 120.570 -0.043 0.000 2.447 333 I HA 0.314 4.484 4.170 -0.000 0.000 0.287 333 I C -1.101 174.996 176.117 -0.033 0.000 1.023 333 I CA -0.375 60.903 61.300 -0.037 0.000 1.083 333 I CB 1.576 39.553 38.000 -0.038 0.000 1.245 333 I HN 0.729 nan 8.210 nan 0.000 0.434 334 D N 5.024 125.408 120.400 -0.028 0.000 4.161 334 D HA -0.108 4.532 4.640 -0.000 0.000 0.246 334 D C -0.069 176.215 176.300 -0.027 0.000 1.064 334 D CA 0.848 54.832 54.000 -0.026 0.000 1.187 334 D CB -0.155 40.627 40.800 -0.031 0.000 0.871 334 D HN 0.823 nan 8.370 nan 0.000 0.413 335 G N 1.407 110.196 108.800 -0.018 0.000 2.390 335 G HA2 0.427 4.387 3.960 -0.000 0.000 0.270 335 G HA3 0.427 4.387 3.960 -0.000 0.000 0.270 335 G C 1.391 176.281 174.900 -0.017 0.000 1.211 335 G CA -0.345 44.747 45.100 -0.014 0.000 0.842 335 G HN 0.394 nan 8.290 nan 0.000 0.519 336 V N 2.661 122.562 119.914 -0.022 0.000 3.444 336 V HA 0.030 4.150 4.120 -0.000 0.000 0.271 336 V C 2.050 178.137 176.094 -0.010 0.000 1.188 336 V CA 0.667 62.954 62.300 -0.022 0.000 1.168 336 V CB -1.121 30.683 31.823 -0.032 0.000 0.810 336 V HN 0.773 nan 8.190 nan 0.000 0.500 337 G N 1.215 110.012 108.800 -0.004 0.000 2.272 337 G HA2 0.073 4.033 3.960 -0.000 0.000 0.247 337 G HA3 0.073 4.033 3.960 -0.000 0.000 0.247 337 G C 0.064 174.963 174.900 -0.001 0.000 1.272 337 G CA -0.276 44.824 45.100 0.001 0.000 0.921 337 G HN 0.321 nan 8.290 nan 0.000 0.495 338 E N 2.298 122.498 120.200 -0.000 0.000 2.558 338 E HA -0.054 4.296 4.350 -0.000 0.000 0.255 338 E C 1.290 177.889 176.600 -0.001 0.000 0.968 338 E CA -0.040 56.359 56.400 -0.001 0.000 0.939 338 E CB 0.738 30.438 29.700 0.000 0.000 0.921 338 E HN 0.561 nan 8.360 nan 0.000 0.477 339 E N 2.717 122.916 120.200 -0.003 0.000 2.097 339 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 339 E C 1.790 178.389 176.600 -0.002 0.000 1.000 339 E CA 1.551 57.949 56.400 -0.003 0.000 0.804 339 E CB -0.259 29.439 29.700 -0.004 0.000 0.740 339 E HN 0.617 nan 8.360 nan 0.000 0.454 340 A N 1.716 124.535 122.820 -0.002 0.000 1.884 340 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 340 A C 2.458 180.041 177.584 -0.001 0.000 1.197 340 A CA 2.888 54.924 52.037 -0.002 0.000 0.637 340 A CB -0.890 18.109 19.000 -0.001 0.000 0.827 340 A HN 0.318 nan 8.150 nan 0.000 0.450 341 A N -0.055 122.765 122.820 -0.000 0.000 1.834 341 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 341 A C 2.133 179.717 177.584 0.000 0.000 1.203 341 A CA 1.642 53.680 52.037 0.001 0.000 0.621 341 A CB -0.881 18.120 19.000 0.002 0.000 0.841 341 A HN 0.526 nan 8.150 nan 0.000 0.446 342 I N -0.371 120.199 120.570 0.001 0.000 2.053 342 I HA -0.384 3.786 4.170 -0.000 0.000 0.236 342 I C 2.798 178.915 176.117 -0.001 0.000 1.038 342 I CA 1.872 63.172 61.300 0.001 0.000 1.304 342 I CB -0.731 37.270 38.000 0.001 0.000 1.023 342 I HN 0.384 nan 8.210 nan 0.000 0.395 343 Q N 0.801 120.600 119.800 -0.002 0.000 2.152 343 Q HA -0.193 4.146 4.340 -0.000 0.000 0.206 343 Q C 2.300 178.298 176.000 -0.003 0.000 0.985 343 Q CA 2.002 57.804 55.803 -0.002 0.000 0.863 343 Q CB -1.122 27.615 28.738 -0.003 0.000 0.904 343 Q HN 0.713 nan 8.270 nan 0.000 0.422 344 G N 0.973 109.772 108.800 -0.003 0.000 2.433 344 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.216 344 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.216 344 G C 1.615 176.513 174.900 -0.004 0.000 1.186 344 G CA 1.002 46.100 45.100 -0.003 0.000 0.779 344 G HN 0.303 nan 8.290 nan 0.000 0.543 345 R N 0.290 120.788 120.500 -0.003 0.000 2.119 345 R HA -0.110 4.230 4.340 -0.000 0.000 0.246 345 R C 2.610 178.907 176.300 -0.006 0.000 1.146 345 R CA 1.750 57.847 56.100 -0.004 0.000 0.962 345 R CB -0.951 29.348 30.300 -0.003 0.000 0.863 345 R HN 0.253 nan 8.270 nan 0.000 0.442 346 V N 0.661 120.572 119.914 -0.005 0.000 2.231 346 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 346 V C 2.406 178.495 176.094 -0.008 0.000 1.054 346 V CA 2.180 64.476 62.300 -0.006 0.000 1.015 346 V CB -1.276 30.544 31.823 -0.005 0.000 0.638 346 V HN 0.591 nan 8.190 nan 0.000 0.444 347 A N -0.636 122.181 122.820 -0.007 0.000 1.896 347 A HA -0.383 3.937 4.320 -0.000 0.000 0.220 347 A C 2.149 179.728 177.584 -0.008 0.000 1.206 347 A CA 2.629 54.662 52.037 -0.007 0.000 0.647 347 A CB -0.696 18.300 19.000 -0.005 0.000 0.828 347 A HN 0.698 nan 8.150 nan 0.000 0.455 348 Q N -0.542 119.253 119.800 -0.009 0.000 1.967 348 Q HA -0.217 4.123 4.340 -0.000 0.000 0.210 348 Q C 2.181 178.173 176.000 -0.013 0.000 1.005 348 Q CA 1.938 57.734 55.803 -0.010 0.000 0.862 348 Q CB -0.499 28.233 28.738 -0.010 0.000 0.939 348 Q HN 0.752 nan 8.270 nan 0.000 0.417 349 I N 0.427 120.988 120.570 -0.015 0.000 2.087 349 I HA -0.356 3.814 4.170 -0.000 0.000 0.240 349 I C 2.549 178.654 176.117 -0.018 0.000 1.054 349 I CA 1.162 62.451 61.300 -0.020 0.000 1.311 349 I CB -0.511 37.476 38.000 -0.021 0.000 1.024 349 I HN 0.232 nan 8.210 nan 0.000 0.402 350 R N 0.596 121.088 120.500 -0.015 0.000 2.168 350 R HA -0.312 4.028 4.340 -0.000 0.000 0.242 350 R C 2.143 178.436 176.300 -0.013 0.000 1.123 350 R CA 2.177 58.269 56.100 -0.013 0.000 0.928 350 R CB -1.256 29.038 30.300 -0.010 0.000 0.873 350 R HN 0.561 nan 8.270 nan 0.000 0.434 351 Q N 0.834 120.627 119.800 -0.011 0.000 1.998 351 Q HA -0.257 4.083 4.340 -0.000 0.000 0.209 351 Q C 2.089 178.082 176.000 -0.012 0.000 1.002 351 Q CA 2.268 58.065 55.803 -0.010 0.000 0.858 351 Q CB -0.129 28.603 28.738 -0.009 0.000 0.932 351 Q HN 0.469 nan 8.270 nan 0.000 0.416 352 Q N -0.159 119.632 119.800 -0.015 0.000 2.315 352 Q HA -0.211 4.129 4.340 -0.000 0.000 0.213 352 Q C 1.872 177.861 176.000 -0.020 0.000 0.994 352 Q CA 1.577 57.369 55.803 -0.018 0.000 0.906 352 Q CB -0.358 28.366 28.738 -0.024 0.000 0.918 352 Q HN 0.562 nan 8.270 nan 0.000 0.427 353 I N 1.157 121.715 120.570 -0.019 0.000 3.444 353 I HA -0.168 4.002 4.170 -0.000 0.000 0.287 353 I C 2.272 178.382 176.117 -0.012 0.000 1.302 353 I CA 0.549 61.838 61.300 -0.018 0.000 1.368 353 I CB -0.532 37.457 38.000 -0.018 0.000 1.048 353 I HN 0.322 nan 8.210 nan 0.000 0.487 354 E N 1.405 121.598 120.200 -0.010 0.000 2.106 354 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 354 E C 1.551 178.148 176.600 -0.005 0.000 0.984 354 E CA 1.118 57.514 56.400 -0.007 0.000 0.806 354 E CB -0.198 29.498 29.700 -0.006 0.000 0.750 354 E HN 0.372 nan 8.360 nan 0.000 0.458 355 E N 1.465 121.661 120.200 -0.007 0.000 2.086 355 E HA -0.148 4.202 4.350 -0.000 0.000 0.200 355 E C 1.426 178.025 176.600 -0.001 0.000 1.012 355 E CA 1.729 58.126 56.400 -0.005 0.000 0.812 355 E CB -0.571 29.125 29.700 -0.007 0.000 0.743 355 E HN 0.495 nan 8.360 nan 0.000 0.453 356 A N -0.228 122.590 122.820 -0.003 0.000 2.723 356 A HA -0.313 4.007 4.320 -0.000 0.000 0.305 356 A C 1.349 178.939 177.584 0.010 0.000 1.513 356 A CA 1.465 53.503 52.037 0.002 0.000 0.925 356 A CB -2.396 16.605 19.000 0.002 0.000 0.956 356 A HN 0.269 nan 8.150 nan 0.000 0.508 357 T N -0.421 114.139 114.554 0.010 0.000 3.320 357 T HA 0.320 4.670 4.350 -0.000 0.000 0.258 357 T C 0.485 175.202 174.700 0.028 0.000 1.176 357 T CA 1.362 63.471 62.100 0.016 0.000 1.037 357 T CB -0.507 68.369 68.868 0.013 0.000 0.958 357 T HN 1.556 nan 8.240 nan 0.000 0.545 358 S N -0.215 115.506 115.700 0.035 0.000 2.678 358 S HA 0.143 4.613 4.470 -0.000 0.000 0.290 358 S C -1.309 173.331 174.600 0.067 0.000 1.047 358 S CA -0.796 57.440 58.200 0.060 0.000 0.851 358 S CB 0.683 63.940 63.200 0.095 0.000 1.058 358 S HN 0.064 nan 8.310 nan 0.000 0.451 359 D N 1.559 122.006 120.400 0.079 0.000 2.352 359 D HA 0.155 4.795 4.640 -0.000 0.000 0.232 359 D C 0.681 177.059 176.300 0.130 0.000 1.055 359 D CA 0.508 54.554 54.000 0.077 0.000 0.891 359 D CB 0.042 40.879 40.800 0.061 0.000 0.897 359 D HN 0.498 nan 8.370 nan 0.000 0.529 360 Y N 0.435 120.732 120.300 -0.005 0.000 2.559 360 Y HA 0.103 4.653 4.550 -0.000 0.000 0.279 360 Y C 0.997 176.888 175.900 -0.015 0.000 1.117 360 Y CA 0.645 58.741 58.100 -0.007 0.000 1.263 360 Y CB 0.372 38.828 38.460 -0.007 0.000 1.230 360 Y HN -0.205 nan 8.280 nan 0.000 0.528 361 D N -0.178 120.224 120.400 0.004 0.000 2.162 361 D HA -0.036 4.604 4.640 -0.000 0.000 0.203 361 D C 2.056 178.305 176.300 -0.084 0.000 0.967 361 D CA 1.014 54.959 54.000 -0.090 0.000 0.840 361 D CB -0.129 40.666 40.800 -0.008 0.000 0.972 361 D HN 0.183 nan 8.370 nan 0.000 0.482 362 R N 0.629 121.109 120.500 -0.033 0.000 2.090 362 R HA -0.068 4.272 4.340 -0.000 0.000 0.228 362 R C 2.006 178.281 176.300 -0.041 0.000 1.110 362 R CA 0.952 57.036 56.100 -0.027 0.000 0.973 362 R CB 0.092 30.390 30.300 -0.003 0.000 0.869 362 R HN 0.183 nan 8.270 nan 0.000 0.440 363 E N 0.322 120.497 120.200 -0.042 0.000 2.072 363 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 363 E C 1.548 178.088 176.600 -0.100 0.000 0.985 363 E CA 1.196 57.569 56.400 -0.045 0.000 0.801 363 E CB 0.196 29.893 29.700 -0.005 0.000 0.750 363 E HN 0.005 nan 8.360 nan 0.000 0.452 364 K N 0.725 121.008 120.400 -0.195 0.000 1.965 364 K HA -0.086 4.234 4.320 -0.000 0.000 0.214 364 K C 2.158 178.676 176.600 -0.138 0.000 1.046 364 K CA 1.353 57.501 56.287 -0.233 0.000 0.944 364 K CB -0.722 31.548 32.500 -0.383 0.000 0.726 364 K HN 0.115 nan 8.250 nan 0.000 0.441 365 L N 0.705 121.857 121.223 -0.120 0.000 2.054 365 L HA -0.359 3.981 4.340 -0.000 0.000 0.220 365 L C 2.613 179.449 176.870 -0.057 0.000 1.081 365 L CA 1.690 56.483 54.840 -0.078 0.000 0.780 365 L CB -0.651 41.372 42.059 -0.061 0.000 0.893 365 L HN 0.338 nan 8.230 nan 0.000 0.438 366 Q N 0.540 120.309 119.800 -0.052 0.000 1.956 366 Q HA -0.252 4.088 4.340 -0.000 0.000 0.208 366 Q C 1.959 177.942 176.000 -0.030 0.000 0.998 366 Q CA 2.192 57.975 55.803 -0.034 0.000 0.855 366 Q CB -0.243 28.478 28.738 -0.027 0.000 0.928 366 Q HN 0.452 nan 8.270 nan 0.000 0.418 367 E N -0.285 119.894 120.200 -0.036 0.000 2.086 367 E HA -0.310 4.040 4.350 -0.000 0.000 0.205 367 E C 2.146 178.736 176.600 -0.018 0.000 1.027 367 E CA 1.706 58.092 56.400 -0.024 0.000 0.830 367 E CB -0.280 29.401 29.700 -0.032 0.000 0.751 367 E HN 0.288 nan 8.360 nan 0.000 0.456 368 R N 0.382 120.864 120.500 -0.031 0.000 2.094 368 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 368 R C 2.533 178.826 176.300 -0.012 0.000 1.137 368 R CA 1.731 57.818 56.100 -0.022 0.000 0.943 368 R CB -0.812 29.466 30.300 -0.037 0.000 0.850 368 R HN 0.078 nan 8.270 nan 0.000 0.433 369 V N 1.298 121.201 119.914 -0.017 0.000 2.317 369 V HA -0.349 3.771 4.120 -0.000 0.000 0.251 369 V C 2.482 178.573 176.094 -0.005 0.000 1.065 369 V CA 2.085 64.379 62.300 -0.011 0.000 1.049 369 V CB -0.990 30.825 31.823 -0.014 0.000 0.651 369 V HN 0.497 nan 8.190 nan 0.000 0.450 370 A N -0.188 122.629 122.820 -0.004 0.000 1.834 370 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 370 A C 2.276 179.864 177.584 0.006 0.000 1.203 370 A CA 1.998 54.035 52.037 0.001 0.000 0.621 370 A CB -0.637 18.364 19.000 0.001 0.000 0.841 370 A HN 0.407 nan 8.150 nan 0.000 0.446 371 K N -0.759 119.650 120.400 0.014 0.000 2.049 371 K HA -0.243 4.077 4.320 -0.000 0.000 0.219 371 K C 1.920 178.533 176.600 0.022 0.000 1.056 371 K CA 1.860 58.163 56.287 0.027 0.000 0.946 371 K CB -1.192 31.337 32.500 0.048 0.000 0.723 371 K HN 0.425 nan 8.250 nan 0.000 0.453 372 L N 0.294 121.528 121.223 0.018 0.000 1.961 372 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 372 L C 2.304 179.178 176.870 0.007 0.000 1.075 372 L CA 2.347 57.196 54.840 0.014 0.000 0.749 372 L CB -0.994 41.072 42.059 0.010 0.000 0.890 372 L HN 0.226 nan 8.230 nan 0.000 0.433 373 A N -0.902 121.920 122.820 0.003 0.000 1.840 373 A HA 0.045 4.365 4.320 -0.000 0.000 0.214 373 A C 2.342 179.925 177.584 -0.001 0.000 1.198 373 A CA 1.376 53.412 52.037 -0.000 0.000 0.608 373 A CB -1.721 17.277 19.000 -0.002 0.000 0.839 373 A HN 0.579 nan 8.150 nan 0.000 0.443 374 G N -0.421 108.373 108.800 -0.011 0.000 3.437 374 G HA2 0.019 3.979 3.960 -0.000 0.000 0.238 374 G HA3 0.019 3.979 3.960 -0.000 0.000 0.238 374 G C 1.577 176.475 174.900 -0.003 0.000 1.054 374 G CA 1.877 46.972 45.100 -0.008 0.000 0.704 374 G HN 2.128 nan 8.290 nan 0.000 0.713 375 G N -2.631 106.169 108.800 -0.000 0.000 2.860 375 G HA2 0.131 4.091 3.960 -0.000 0.000 0.553 375 G HA3 0.131 4.091 3.960 -0.000 0.000 0.553 375 G C -0.588 174.314 174.900 0.004 0.000 1.439 375 G CA -0.269 44.832 45.100 0.002 0.000 0.879 375 G HN 1.261 nan 8.290 nan 0.000 0.545 376 V N 0.873 120.789 119.914 0.003 0.000 2.531 376 V HA 0.738 4.858 4.120 -0.000 0.000 0.301 376 V C 0.833 176.925 176.094 -0.005 0.000 1.034 376 V CA -0.073 62.227 62.300 0.000 0.000 0.865 376 V CB 1.358 33.183 31.823 0.002 0.000 0.995 376 V HN 2.025 nan 8.190 nan 0.000 0.424 377 A N 4.724 127.539 122.820 -0.007 0.000 2.363 377 A HA 0.796 5.116 4.320 -0.000 0.000 0.270 377 A C -0.153 177.422 177.584 -0.014 0.000 1.121 377 A CA -0.291 51.740 52.037 -0.010 0.000 0.800 377 A CB 0.979 19.974 19.000 -0.009 0.000 1.052 377 A HN 1.439 nan 8.150 nan 0.000 0.493 378 V N 0.535 120.441 119.914 -0.014 0.000 2.864 378 V HA 0.857 4.977 4.120 -0.000 0.000 0.314 378 V C -0.528 175.556 176.094 -0.016 0.000 1.073 378 V CA -0.868 61.422 62.300 -0.017 0.000 0.956 378 V CB 1.561 33.374 31.823 -0.017 0.000 1.023 378 V HN 0.698 nan 8.190 nan 0.000 0.435 379 I N 2.081 122.639 120.570 -0.019 0.000 2.582 379 I HA 0.537 4.707 4.170 -0.000 0.000 0.292 379 I C -0.537 175.570 176.117 -0.017 0.000 1.066 379 I CA -0.729 60.561 61.300 -0.017 0.000 1.053 379 I CB 2.474 40.463 38.000 -0.019 0.000 1.241 379 I HN 0.643 nan 8.210 nan 0.000 0.421 380 K N 5.401 125.792 120.400 -0.014 0.000 2.449 380 K HA 0.435 4.755 4.320 -0.000 0.000 0.257 380 K C -0.911 175.682 176.600 -0.012 0.000 0.989 380 K CA -0.682 55.597 56.287 -0.013 0.000 0.916 380 K CB 2.202 34.695 32.500 -0.012 0.000 1.136 380 K HN 0.292 nan 8.250 nan 0.000 0.439 381 V N 3.101 123.008 119.914 -0.012 0.000 2.409 381 V HA 0.046 4.166 4.120 -0.000 0.000 0.270 381 V C 0.982 177.071 176.094 -0.009 0.000 1.019 381 V CA -0.176 62.118 62.300 -0.010 0.000 1.066 381 V CB 0.271 32.088 31.823 -0.010 0.000 1.021 381 V HN 0.860 nan 8.190 nan 0.000 0.476 382 G N 3.706 112.501 108.800 -0.008 0.000 2.476 382 G HA2 0.700 4.660 3.960 -0.000 0.000 0.269 382 G HA3 0.700 4.660 3.960 -0.000 0.000 0.269 382 G C -0.267 174.630 174.900 -0.006 0.000 1.195 382 G CA 0.329 45.425 45.100 -0.007 0.000 0.843 382 G HN 1.284 nan 8.290 nan 0.000 0.545 383 A N -0.388 122.428 122.820 -0.006 0.000 2.567 383 A HA 0.759 5.079 4.320 -0.000 0.000 0.291 383 A C 0.586 178.167 177.584 -0.005 0.000 1.048 383 A CA 0.390 52.424 52.037 -0.005 0.000 0.661 383 A CB 0.428 19.425 19.000 -0.005 0.000 1.288 383 A HN 1.782 nan 8.150 nan 0.000 0.424 384 A N -0.073 122.744 122.820 -0.005 0.000 1.843 384 A HA 0.424 4.744 4.320 -0.000 0.000 0.213 384 A C 1.447 179.028 177.584 -0.005 0.000 1.202 384 A CA 2.224 54.258 52.037 -0.004 0.000 0.607 384 A CB -0.739 18.259 19.000 -0.004 0.000 0.847 384 A HN 1.774 nan 8.150 nan 0.000 0.445 385 T N -1.572 112.979 114.554 -0.004 0.000 2.928 385 T HA 0.296 4.646 4.350 -0.000 0.000 0.284 385 T C 0.809 175.506 174.700 -0.005 0.000 1.008 385 T CA 0.050 62.148 62.100 -0.005 0.000 1.057 385 T CB 1.409 70.274 68.868 -0.004 0.000 1.018 385 T HN 0.436 nan 8.240 nan 0.000 0.493 386 E N 1.970 122.167 120.200 -0.006 0.000 2.204 386 E HA -0.070 4.280 4.350 -0.000 0.000 0.194 386 E C 1.699 178.295 176.600 -0.006 0.000 0.989 386 E CA 0.813 57.209 56.400 -0.006 0.000 0.824 386 E CB 0.063 29.759 29.700 -0.007 0.000 0.756 386 E HN 0.565 nan 8.360 nan 0.000 0.477 387 V N 1.280 121.191 119.914 -0.005 0.000 2.221 387 V HA -0.271 3.849 4.120 -0.000 0.000 0.240 387 V C 2.435 178.527 176.094 -0.004 0.000 1.041 387 V CA 2.239 64.536 62.300 -0.004 0.000 0.991 387 V CB -0.846 30.975 31.823 -0.004 0.000 0.634 387 V HN 0.401 nan 8.190 nan 0.000 0.450 388 E N -0.271 119.927 120.200 -0.004 0.000 2.086 388 E HA -0.345 4.005 4.350 -0.000 0.000 0.205 388 E C 2.223 178.821 176.600 -0.004 0.000 1.027 388 E CA 2.341 58.739 56.400 -0.004 0.000 0.830 388 E CB -0.265 29.432 29.700 -0.004 0.000 0.751 388 E HN 0.378 nan 8.360 nan 0.000 0.456 389 M N 1.204 120.801 119.600 -0.005 0.000 3.424 389 M HA -0.279 4.201 4.480 -0.000 0.000 0.284 389 M C 2.011 178.308 176.300 -0.006 0.000 1.045 389 M CA 2.218 57.514 55.300 -0.006 0.000 1.057 389 M CB -0.824 31.772 32.600 -0.006 0.000 1.202 389 M HN 0.058 nan 8.290 nan 0.000 0.584 390 K N -0.383 120.013 120.400 -0.006 0.000 2.218 390 K HA -0.204 4.116 4.320 -0.000 0.000 0.205 390 K C 1.965 178.563 176.600 -0.004 0.000 1.046 390 K CA 1.405 57.688 56.287 -0.006 0.000 0.933 390 K CB -0.295 32.202 32.500 -0.006 0.000 0.728 390 K HN 0.443 nan 8.250 nan 0.000 0.454 391 E N 1.952 122.150 120.200 -0.003 0.000 2.015 391 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 391 E C 1.918 178.518 176.600 -0.001 0.000 0.991 391 E CA 1.444 57.843 56.400 -0.001 0.000 0.802 391 E CB 0.008 29.707 29.700 -0.002 0.000 0.759 391 E HN 0.178 nan 8.360 nan 0.000 0.447 392 K N 1.015 121.414 120.400 -0.002 0.000 2.044 392 K HA -0.233 4.087 4.320 -0.000 0.000 0.210 392 K C 2.377 178.975 176.600 -0.002 0.000 1.049 392 K CA 2.103 58.389 56.287 -0.002 0.000 0.927 392 K CB -0.241 32.256 32.500 -0.003 0.000 0.713 392 K HN -0.026 nan 8.250 nan 0.000 0.443 393 K N 0.152 120.550 120.400 -0.004 0.000 2.107 393 K HA -0.254 4.066 4.320 -0.000 0.000 0.211 393 K C 1.892 178.490 176.600 -0.004 0.000 1.049 393 K CA 1.609 57.892 56.287 -0.006 0.000 0.927 393 K CB -0.298 32.198 32.500 -0.008 0.000 0.714 393 K HN 0.294 nan 8.250 nan 0.000 0.452 394 A N 1.474 124.295 122.820 0.001 0.000 1.834 394 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 394 A C 2.094 179.686 177.584 0.013 0.000 1.203 394 A CA 2.014 54.056 52.037 0.008 0.000 0.621 394 A CB -0.764 18.242 19.000 0.009 0.000 0.841 394 A HN 0.432 nan 8.150 nan 0.000 0.446 395 R N -0.696 119.810 120.500 0.011 0.000 2.153 395 R HA -0.168 4.172 4.340 -0.000 0.000 0.252 395 R C 1.958 178.266 176.300 0.014 0.000 1.158 395 R CA 1.584 57.693 56.100 0.014 0.000 0.975 395 R CB -0.859 29.446 30.300 0.008 0.000 0.871 395 R HN 0.440 nan 8.270 nan 0.000 0.450 396 V N 1.085 121.002 119.914 0.005 0.000 2.214 396 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 396 V C 1.994 178.083 176.094 -0.009 0.000 1.047 396 V CA 2.163 64.461 62.300 -0.003 0.000 0.998 396 V CB -0.594 31.222 31.823 -0.011 0.000 0.633 396 V HN 0.373 nan 8.190 nan 0.000 0.446 397 E N 0.124 120.313 120.200 -0.017 0.000 2.147 397 E HA -0.281 4.069 4.350 -0.000 0.000 0.199 397 E C 1.851 178.447 176.600 -0.007 0.000 1.005 397 E CA 1.678 58.048 56.400 -0.049 0.000 0.810 397 E CB -0.309 29.369 29.700 -0.036 0.000 0.736 397 E HN 0.652 nan 8.360 nan 0.000 0.460 398 D N 0.577 121.018 120.400 0.069 0.000 2.119 398 D HA -0.208 4.432 4.640 -0.000 0.000 0.199 398 D C 1.982 178.356 176.300 0.123 0.000 0.987 398 D CA 1.617 55.702 54.000 0.142 0.000 0.858 398 D CB -0.819 40.028 40.800 0.079 0.000 1.008 398 D HN 0.189 nan 8.370 nan 0.000 0.450 399 A N 1.202 124.058 122.820 0.061 0.000 1.894 399 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 399 A C 2.355 179.966 177.584 0.045 0.000 1.237 399 A CA 2.273 54.337 52.037 0.045 0.000 0.660 399 A CB -1.329 17.684 19.000 0.021 0.000 0.835 399 A HN 0.371 nan 8.150 nan 0.000 0.461 400 L N -1.508 119.721 121.223 0.009 0.000 2.030 400 L HA -0.350 3.990 4.340 -0.000 0.000 0.222 400 L C 2.598 179.473 176.870 0.010 0.000 1.082 400 L CA 2.509 57.335 54.840 -0.023 0.000 0.785 400 L CB -0.588 41.420 42.059 -0.085 0.000 0.895 400 L HN 0.600 nan 8.230 nan 0.000 0.439 401 H N -0.209 118.864 119.070 0.005 0.000 2.497 401 H HA -0.277 4.279 4.556 -0.000 0.000 0.294 401 H C 2.162 177.494 175.328 0.008 0.000 1.056 401 H CA 1.907 57.960 56.048 0.007 0.000 1.124 401 H CB -0.889 28.878 29.762 0.008 0.000 1.407 401 H HN 0.583 nan 8.280 nan 0.000 0.617 402 A N 0.242 123.167 122.820 0.176 0.000 1.944 402 A HA -0.323 3.997 4.320 -0.000 0.000 0.222 402 A C 2.695 180.316 177.584 0.061 0.000 1.237 402 A CA 3.296 55.382 52.037 0.082 0.000 0.668 402 A CB -1.393 17.640 19.000 0.055 0.000 0.830 402 A HN 0.628 nan 8.150 nan 0.000 0.471 403 T N -0.662 113.925 114.554 0.056 0.000 2.622 403 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 403 T C 2.010 176.731 174.700 0.035 0.000 1.047 403 T CA 1.559 63.680 62.100 0.035 0.000 1.159 403 T CB -0.297 68.585 68.868 0.024 0.000 0.863 403 T HN 0.582 nan 8.240 nan 0.000 0.422 404 R N 0.992 121.518 120.500 0.042 0.000 2.113 404 R HA -0.120 4.220 4.340 -0.000 0.000 0.244 404 R C 2.834 179.161 176.300 0.044 0.000 1.142 404 R CA 1.553 57.678 56.100 0.041 0.000 0.953 404 R CB -0.665 29.664 30.300 0.049 0.000 0.860 404 R HN 0.409 nan 8.270 nan 0.000 0.438 405 A N 1.198 124.052 122.820 0.056 0.000 1.877 405 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 405 A C 2.425 180.027 177.584 0.029 0.000 1.186 405 A CA 1.730 53.792 52.037 0.042 0.000 0.620 405 A CB -0.778 18.248 19.000 0.043 0.000 0.822 405 A HN 0.429 nan 8.150 nan 0.000 0.443 406 A N -0.513 122.324 122.820 0.029 0.000 1.917 406 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 406 A C 2.259 179.854 177.584 0.019 0.000 1.182 406 A CA 2.085 54.135 52.037 0.021 0.000 0.633 406 A CB -1.064 17.948 19.000 0.021 0.000 0.819 406 A HN 0.441 nan 8.150 nan 0.000 0.448 407 V N 0.178 120.104 119.914 0.021 0.000 2.261 407 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 407 V C 2.417 178.522 176.094 0.018 0.000 1.047 407 V CA 2.327 64.638 62.300 0.018 0.000 1.015 407 V CB -1.012 30.822 31.823 0.019 0.000 0.642 407 V HN 0.676 nan 8.190 nan 0.000 0.446 408 E N 0.201 120.413 120.200 0.021 0.000 2.085 408 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 408 E C 1.479 178.087 176.600 0.014 0.000 0.994 408 E CA 1.644 58.055 56.400 0.019 0.000 0.801 408 E CB -0.095 29.618 29.700 0.022 0.000 0.743 408 E HN 0.707 nan 8.360 nan 0.000 0.453 409 E N -0.515 119.692 120.200 0.012 0.000 2.759 409 E HA 0.248 4.598 4.350 -0.000 0.000 0.220 409 E C 0.356 176.960 176.600 0.008 0.000 0.974 409 E CA 0.093 56.498 56.400 0.008 0.000 1.148 409 E CB 1.482 31.183 29.700 0.003 0.000 1.059 409 E HN 0.235 nan 8.360 nan 0.000 0.493 410 G N 1.420 110.226 108.800 0.011 0.000 2.642 410 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.231 410 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.231 410 G C -0.170 174.736 174.900 0.010 0.000 1.338 410 G CA -0.307 44.799 45.100 0.011 0.000 0.883 410 G HN 0.606 nan 8.290 nan 0.000 0.570 411 V N -3.064 116.856 119.914 0.010 0.000 3.182 411 V HA 1.021 5.141 4.120 -0.000 0.000 0.308 411 V C 0.394 176.493 176.094 0.010 0.000 1.240 411 V CA 0.641 62.946 62.300 0.009 0.000 1.063 411 V CB 1.368 33.197 31.823 0.010 0.000 1.076 411 V HN 2.652 nan 8.190 nan 0.000 0.446 412 V N -2.208 117.711 119.914 0.008 0.000 3.203 412 V HA 1.004 5.124 4.120 -0.000 0.000 0.305 412 V C 0.349 176.448 176.094 0.008 0.000 1.361 412 V CA -0.795 61.511 62.300 0.010 0.000 1.066 412 V CB 1.005 32.834 31.823 0.010 0.000 1.085 412 V HN 2.541 nan 8.190 nan 0.000 0.456 413 A N 0.186 123.012 122.820 0.010 0.000 2.545 413 A HA 0.519 4.839 4.320 -0.000 0.000 0.253 413 A C 1.232 178.814 177.584 -0.005 0.000 1.074 413 A CA 0.591 52.630 52.037 0.004 0.000 0.760 413 A CB -0.298 18.707 19.000 0.009 0.000 1.005 413 A HN 2.152 nan 8.150 nan 0.000 0.506 414 G N 1.758 110.549 108.800 -0.014 0.000 3.189 414 G HA2 0.324 4.284 3.960 -0.000 0.000 0.225 414 G HA3 0.324 4.284 3.960 -0.000 0.000 0.225 414 G C 0.784 175.668 174.900 -0.027 0.000 1.159 414 G CA 0.655 45.744 45.100 -0.018 0.000 0.763 414 G HN 1.131 nan 8.290 nan 0.000 0.549 415 G N -0.283 108.496 108.800 -0.035 0.000 3.440 415 G HA2 0.415 4.375 3.960 -0.000 0.000 0.263 415 G HA3 0.415 4.375 3.960 -0.000 0.000 0.263 415 G C 1.190 176.079 174.900 -0.018 0.000 1.236 415 G CA 0.202 45.278 45.100 -0.041 0.000 0.927 415 G HN 1.126 nan 8.290 nan 0.000 0.530 416 G N -0.967 107.828 108.800 -0.010 0.000 2.199 416 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.254 416 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.254 416 G C 1.369 176.272 174.900 0.005 0.000 0.982 416 G CA 0.563 45.664 45.100 0.001 0.000 0.632 416 G HN 0.596 nan 8.290 nan 0.000 0.529 417 V N 1.283 121.197 119.914 -0.000 0.000 2.219 417 V HA -0.089 4.031 4.120 -0.000 0.000 0.248 417 V C 3.360 179.461 176.094 0.012 0.000 1.053 417 V CA 3.335 65.637 62.300 0.004 0.000 1.009 417 V CB -1.654 30.165 31.823 -0.008 0.000 0.636 417 V HN 1.322 nan 8.190 nan 0.000 0.445 418 A N 0.248 123.074 122.820 0.010 0.000 1.909 418 A HA -0.263 4.057 4.320 -0.000 0.000 0.221 418 A C 2.221 179.814 177.584 0.015 0.000 1.223 418 A CA 2.550 54.595 52.037 0.013 0.000 0.658 418 A CB -0.773 18.232 19.000 0.009 0.000 0.831 418 A HN 0.437 nan 8.150 nan 0.000 0.462 419 L N -0.656 120.574 121.223 0.012 0.000 1.994 419 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 419 L C 2.652 179.531 176.870 0.016 0.000 1.071 419 L CA 1.540 56.388 54.840 0.012 0.000 0.745 419 L CB -1.331 40.735 42.059 0.011 0.000 0.892 419 L HN 0.349 nan 8.230 nan 0.000 0.431 420 I N -0.151 120.430 120.570 0.019 0.000 2.145 420 I HA -0.338 3.832 4.170 -0.000 0.000 0.244 420 I C 2.734 178.868 176.117 0.027 0.000 1.075 420 I CA 1.297 62.611 61.300 0.023 0.000 1.332 420 I CB -0.988 37.028 38.000 0.027 0.000 1.033 420 I HN 0.298 nan 8.210 nan 0.000 0.410 421 R N 1.445 121.963 120.500 0.031 0.000 2.171 421 R HA -0.203 4.137 4.340 -0.000 0.000 0.226 421 R C 2.395 178.712 176.300 0.028 0.000 1.113 421 R CA 2.967 59.089 56.100 0.036 0.000 0.887 421 R CB -1.097 29.225 30.300 0.038 0.000 0.830 421 R HN 0.310 nan 8.270 nan 0.000 0.432 422 V N -1.059 118.868 119.914 0.023 0.000 2.363 422 V HA -0.295 3.825 4.120 -0.000 0.000 0.254 422 V C 2.168 178.272 176.094 0.016 0.000 1.074 422 V CA 2.257 64.567 62.300 0.017 0.000 1.069 422 V CB -1.677 30.153 31.823 0.013 0.000 0.659 422 V HN 0.514 nan 8.190 nan 0.000 0.455 423 A N 1.718 124.548 122.820 0.017 0.000 1.845 423 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 423 A C 2.664 180.258 177.584 0.016 0.000 1.195 423 A CA 3.197 55.243 52.037 0.015 0.000 0.616 423 A CB -1.348 17.661 19.000 0.015 0.000 0.832 423 A HN 1.108 nan 8.150 nan 0.000 0.443 424 S N -0.105 115.607 115.700 0.020 0.000 2.402 424 S HA -0.230 4.240 4.470 -0.000 0.000 0.233 424 S C 1.860 176.472 174.600 0.019 0.000 1.030 424 S CA 1.470 59.683 58.200 0.021 0.000 1.003 424 S CB -0.360 62.857 63.200 0.028 0.000 0.813 424 S HN 0.453 nan 8.310 nan 0.000 0.477 425 K N 2.318 122.729 120.400 0.019 0.000 1.983 425 K HA -0.019 4.301 4.320 -0.000 0.000 0.225 425 K C 1.523 178.130 176.600 0.013 0.000 1.030 425 K CA 1.252 57.549 56.287 0.017 0.000 1.027 425 K CB -1.371 31.139 32.500 0.016 0.000 0.757 425 K HN 0.681 nan 8.250 nan 0.000 0.444 426 L N 0.225 121.455 121.223 0.011 0.000 2.530 426 L HA 0.195 4.535 4.340 -0.000 0.000 0.247 426 L C 0.961 177.836 176.870 0.009 0.000 1.416 426 L CA -0.120 54.725 54.840 0.009 0.000 1.202 426 L CB -0.506 41.557 42.059 0.007 0.000 1.415 426 L HN 0.080 nan 8.230 nan 0.000 0.443 427 A N 0.018 122.844 122.820 0.009 0.000 2.267 427 A HA 0.082 4.402 4.320 -0.000 0.000 0.213 427 A C 1.587 179.175 177.584 0.007 0.000 1.192 427 A CA 0.129 52.171 52.037 0.009 0.000 0.851 427 A CB 0.018 19.024 19.000 0.010 0.000 0.881 427 A HN 0.636 nan 8.150 nan 0.000 0.494 428 D N -0.771 119.632 120.400 0.006 0.000 2.338 428 D HA 0.040 4.680 4.640 -0.000 0.000 0.224 428 D C 0.589 176.892 176.300 0.005 0.000 0.967 428 D CA -0.030 53.972 54.000 0.005 0.000 0.896 428 D CB -0.253 40.550 40.800 0.004 0.000 1.028 428 D HN 0.277 nan 8.370 nan 0.000 0.493 429 L N 2.906 124.132 121.223 0.005 0.000 4.017 429 L HA -0.226 4.114 4.340 -0.000 0.000 0.482 429 L C 0.051 176.924 176.870 0.004 0.000 1.045 429 L CA 0.815 55.657 54.840 0.004 0.000 0.650 429 L CB -0.073 41.988 42.059 0.004 0.000 0.973 429 L HN -0.059 nan 8.230 nan 0.000 0.913 430 R N 3.735 124.237 120.500 0.003 0.000 2.923 430 R HA 0.875 5.215 4.340 -0.000 0.000 0.252 430 R C 0.046 176.347 176.300 0.003 0.000 1.130 430 R CA -0.327 55.775 56.100 0.003 0.000 1.043 430 R CB 1.427 31.729 30.300 0.003 0.000 1.205 430 R HN 0.779 nan 8.270 nan 0.000 0.495 431 G N -0.141 108.661 108.800 0.003 0.000 2.658 431 G HA2 0.371 4.331 3.960 -0.000 0.000 0.292 431 G HA3 0.371 4.331 3.960 -0.000 0.000 0.292 431 G C -0.205 174.696 174.900 0.002 0.000 1.320 431 G CA -0.390 44.711 45.100 0.003 0.000 0.933 431 G HN 0.265 nan 8.290 nan 0.000 0.476 432 Q N 0.261 120.063 119.800 0.002 0.000 1.856 432 Q HA -0.072 4.268 4.340 -0.000 0.000 0.233 432 Q C 1.420 177.421 176.000 0.002 0.000 0.995 432 Q CA 1.057 56.862 55.803 0.002 0.000 0.877 432 Q CB -0.489 28.251 28.738 0.002 0.000 0.937 432 Q HN 0.685 nan 8.270 nan 0.000 0.423 433 N N 0.905 119.606 118.700 0.002 0.000 2.458 433 N HA -0.108 4.632 4.740 -0.000 0.000 0.258 433 N C 0.695 176.207 175.510 0.002 0.000 1.219 433 N CA -0.021 53.031 53.050 0.002 0.000 0.902 433 N CB 0.481 38.969 38.487 0.003 0.000 1.076 433 N HN 0.329 nan 8.380 nan 0.000 0.455 434 E N 2.407 122.608 120.200 0.002 0.000 2.160 434 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 434 E C 0.256 176.857 176.600 0.003 0.000 0.991 434 E CA 1.267 57.668 56.400 0.002 0.000 0.810 434 E CB 0.139 29.840 29.700 0.002 0.000 0.742 434 E HN 0.632 nan 8.360 nan 0.000 0.466 435 D N 0.234 120.636 120.400 0.003 0.000 2.384 435 D HA -0.123 4.517 4.640 -0.000 0.000 0.222 435 D C 1.460 177.762 176.300 0.003 0.000 0.976 435 D CA 0.745 54.747 54.000 0.003 0.000 0.915 435 D CB 0.089 40.891 40.800 0.003 0.000 0.896 435 D HN 0.464 nan 8.370 nan 0.000 0.523 436 Q N -0.356 119.446 119.800 0.003 0.000 2.349 436 Q HA 0.050 4.390 4.340 -0.000 0.000 0.209 436 Q C 1.675 177.677 176.000 0.004 0.000 0.920 436 Q CA 0.090 55.895 55.803 0.004 0.000 0.901 436 Q CB 0.238 28.978 28.738 0.003 0.000 1.021 436 Q HN 0.176 nan 8.270 nan 0.000 0.519 437 N N 0.832 119.534 118.700 0.003 0.000 2.058 437 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 437 N C 2.045 177.558 175.510 0.004 0.000 1.037 437 N CA 1.393 54.446 53.050 0.003 0.000 0.848 437 N CB -0.350 38.138 38.487 0.003 0.000 1.021 437 N HN 0.032 nan 8.380 nan 0.000 0.422 438 V N 1.372 121.288 119.914 0.004 0.000 2.282 438 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 438 V C 2.594 178.691 176.094 0.004 0.000 1.057 438 V CA 2.128 64.430 62.300 0.004 0.000 1.032 438 V CB -1.525 30.300 31.823 0.003 0.000 0.645 438 V HN 0.348 nan 8.190 nan 0.000 0.447 439 G N 0.411 109.213 108.800 0.005 0.000 2.529 439 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 439 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 439 G C 1.528 176.431 174.900 0.006 0.000 1.177 439 G CA 1.548 46.651 45.100 0.005 0.000 0.773 439 G HN 0.534 nan 8.290 nan 0.000 0.573 440 I N 0.251 120.824 120.570 0.005 0.000 2.179 440 I HA -0.156 4.014 4.170 -0.000 0.000 0.242 440 I C 2.794 178.914 176.117 0.006 0.000 1.088 440 I CA 1.422 62.725 61.300 0.005 0.000 1.357 440 I CB -0.300 37.703 38.000 0.005 0.000 1.051 440 I HN 0.035 nan 8.210 nan 0.000 0.409 441 K N 1.080 121.483 120.400 0.006 0.000 1.977 441 K HA -0.165 4.155 4.320 -0.000 0.000 0.218 441 K C 1.982 178.585 176.600 0.007 0.000 1.051 441 K CA 1.627 57.918 56.287 0.006 0.000 0.953 441 K CB -1.006 31.497 32.500 0.005 0.000 0.727 441 K HN 0.051 nan 8.250 nan 0.000 0.445 442 V N 1.182 121.100 119.914 0.006 0.000 2.242 442 V HA -0.407 3.713 4.120 -0.000 0.000 0.257 442 V C 2.224 178.322 176.094 0.008 0.000 1.073 442 V CA 2.384 64.688 62.300 0.007 0.000 1.058 442 V CB -1.167 30.660 31.823 0.007 0.000 0.664 442 V HN 0.529 nan 8.190 nan 0.000 0.451 443 A N -0.371 122.454 122.820 0.008 0.000 1.859 443 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 443 A C 2.198 179.788 177.584 0.009 0.000 1.209 443 A CA 2.652 54.694 52.037 0.009 0.000 0.639 443 A CB -0.766 18.239 19.000 0.008 0.000 0.835 443 A HN 0.520 nan 8.150 nan 0.000 0.450 444 L N -1.349 119.879 121.223 0.008 0.000 1.970 444 L HA -0.211 4.128 4.340 -0.000 0.000 0.212 444 L C 2.828 179.703 176.870 0.010 0.000 1.071 444 L CA 1.989 56.835 54.840 0.009 0.000 0.751 444 L CB -0.576 41.489 42.059 0.009 0.000 0.889 444 L HN 0.513 nan 8.230 nan 0.000 0.432 445 R N 0.426 120.931 120.500 0.009 0.000 2.170 445 R HA -0.211 4.129 4.340 -0.000 0.000 0.242 445 R C 2.100 178.405 176.300 0.009 0.000 1.145 445 R CA 1.384 57.489 56.100 0.009 0.000 0.984 445 R CB -0.199 30.105 30.300 0.008 0.000 0.869 445 R HN 0.405 nan 8.270 nan 0.000 0.455 446 A N 0.509 123.335 122.820 0.010 0.000 2.066 446 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 446 A C 2.024 179.615 177.584 0.011 0.000 1.157 446 A CA 1.041 53.084 52.037 0.010 0.000 0.670 446 A CB -0.256 18.751 19.000 0.011 0.000 0.804 446 A HN 0.369 nan 8.150 nan 0.000 0.453 447 M N -0.627 118.980 119.600 0.011 0.000 2.476 447 M HA -0.078 4.402 4.480 -0.000 0.000 0.262 447 M C 1.382 177.690 176.300 0.012 0.000 1.079 447 M CA 0.990 56.297 55.300 0.012 0.000 1.104 447 M CB -0.324 32.283 32.600 0.011 0.000 1.409 447 M HN 0.416 nan 8.290 nan 0.000 0.467 448 E N 0.767 120.974 120.200 0.012 0.000 2.427 448 E HA -0.006 4.344 4.350 -0.000 0.000 0.196 448 E C 2.065 178.673 176.600 0.013 0.000 1.028 448 E CA 0.416 56.824 56.400 0.013 0.000 0.864 448 E CB 0.020 29.727 29.700 0.013 0.000 0.813 448 E HN 0.494 nan 8.360 nan 0.000 0.514 449 A N 2.462 125.289 122.820 0.011 0.000 1.859 449 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 449 A C -0.310 177.281 177.584 0.011 0.000 1.209 449 A CA 1.522 53.566 52.037 0.011 0.000 0.639 449 A CB -1.668 17.338 19.000 0.011 0.000 0.835 449 A HN 0.125 nan 8.150 nan 0.000 0.450 450 P HA -0.204 nan 4.420 nan 0.000 0.214 450 P C 1.779 179.085 177.300 0.011 0.000 1.172 450 P CA 1.449 64.555 63.100 0.009 0.000 0.925 450 P CB -0.151 31.554 31.700 0.008 0.000 0.793 451 L N -0.314 120.918 121.223 0.015 0.000 1.956 451 L HA -0.225 4.115 4.340 -0.000 0.000 0.216 451 L C 2.399 179.285 176.870 0.027 0.000 1.073 451 L CA 2.025 56.880 54.840 0.023 0.000 0.762 451 L CB -1.150 40.926 42.059 0.027 0.000 0.889 451 L HN -0.212 nan 8.230 nan 0.000 0.433 452 R N -1.033 119.479 120.500 0.019 0.000 2.134 452 R HA -0.291 4.049 4.340 -0.000 0.000 0.248 452 R C 2.354 178.664 176.300 0.016 0.000 1.143 452 R CA 1.968 58.077 56.100 0.015 0.000 0.957 452 R CB -0.568 29.738 30.300 0.010 0.000 0.867 452 R HN 0.495 nan 8.270 nan 0.000 0.441 453 Q N 0.684 120.492 119.800 0.014 0.000 2.084 453 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 453 Q C 1.860 177.868 176.000 0.014 0.000 0.978 453 Q CA 1.607 57.417 55.803 0.012 0.000 0.844 453 Q CB -0.081 28.663 28.738 0.008 0.000 0.898 453 Q HN 0.244 nan 8.270 nan 0.000 0.426 454 I N -0.343 120.237 120.570 0.017 0.000 2.076 454 I HA -0.247 3.923 4.170 -0.000 0.000 0.237 454 I C 2.282 178.420 176.117 0.034 0.000 1.059 454 I CA 1.019 62.330 61.300 0.017 0.000 1.317 454 I CB -1.605 36.403 38.000 0.012 0.000 1.037 454 I HN 0.088 nan 8.210 nan 0.000 0.398 455 V N 1.166 121.116 119.914 0.059 0.000 2.277 455 V HA -0.315 3.805 4.120 -0.000 0.000 0.253 455 V C 2.655 178.774 176.094 0.042 0.000 1.067 455 V CA 2.072 64.418 62.300 0.077 0.000 1.047 455 V CB -0.865 30.983 31.823 0.042 0.000 0.649 455 V HN 0.349 nan 8.190 nan 0.000 0.447 456 L N 0.918 122.156 121.223 0.025 0.000 1.989 456 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 456 L C 2.203 179.082 176.870 0.015 0.000 1.071 456 L CA 2.156 57.006 54.840 0.016 0.000 0.749 456 L CB -1.084 40.982 42.059 0.011 0.000 0.890 456 L HN 0.357 nan 8.230 nan 0.000 0.431 457 N N -1.054 117.654 118.700 0.014 0.000 2.364 457 N HA -0.151 4.589 4.740 -0.000 0.000 0.183 457 N C 1.605 177.122 175.510 0.011 0.000 1.022 457 N CA 1.530 54.586 53.050 0.009 0.000 0.883 457 N CB -0.643 37.847 38.487 0.005 0.000 0.965 457 N HN 0.454 nan 8.380 nan 0.000 0.438 458 C N -0.676 118.635 119.300 0.019 0.000 2.697 458 C HA 0.348 4.808 4.460 -0.000 0.000 0.267 458 C C 1.609 176.614 174.990 0.025 0.000 1.278 458 C CA 0.038 59.069 59.018 0.021 0.000 1.708 458 C CB -0.909 26.851 27.740 0.034 0.000 1.860 458 C HN 0.579 nan 8.230 nan 0.000 0.589 459 G N 1.286 110.099 108.800 0.022 0.000 2.137 459 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.237 459 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.237 459 G C -0.291 174.622 174.900 0.021 0.000 1.002 459 G CA 0.090 45.201 45.100 0.018 0.000 0.702 459 G HN 0.507 nan 8.290 nan 0.000 0.515 460 E N 0.063 120.279 120.200 0.027 0.000 2.243 460 E HA 0.423 4.773 4.350 -0.000 0.000 0.260 460 E C 0.060 176.659 176.600 -0.001 0.000 0.985 460 E CA -0.885 55.526 56.400 0.019 0.000 0.858 460 E CB 0.708 30.433 29.700 0.042 0.000 1.210 460 E HN 0.219 nan 8.360 nan 0.000 0.411 461 E N 2.118 122.305 120.200 -0.021 0.000 2.292 461 E HA 0.064 4.414 4.350 -0.000 0.000 0.265 461 E C -1.746 174.831 176.600 -0.038 0.000 1.093 461 E CA -1.435 54.950 56.400 -0.026 0.000 0.922 461 E CB 0.736 30.419 29.700 -0.029 0.000 1.001 461 E HN 0.181 nan 8.360 nan 0.000 0.444 462 P HA -0.162 nan 4.420 nan 0.000 0.208 462 P C 1.543 178.831 177.300 -0.021 0.000 1.203 462 P CA 1.568 64.658 63.100 -0.017 0.000 0.920 462 P CB 0.018 31.715 31.700 -0.004 0.000 0.769 463 S N -0.449 115.243 115.700 -0.013 0.000 2.393 463 S HA -0.232 4.238 4.470 -0.000 0.000 0.234 463 S C 2.008 176.599 174.600 -0.014 0.000 1.064 463 S CA 2.326 60.520 58.200 -0.009 0.000 1.088 463 S CB -2.034 61.162 63.200 -0.007 0.000 0.939 463 S HN -0.065 nan 8.310 nan 0.000 0.448 464 V N 1.623 121.523 119.914 -0.023 0.000 2.244 464 V HA -0.131 3.989 4.120 -0.000 0.000 0.244 464 V C 2.721 178.796 176.094 -0.033 0.000 1.042 464 V CA 1.726 64.010 62.300 -0.027 0.000 1.006 464 V CB -0.964 30.840 31.823 -0.031 0.000 0.641 464 V HN 0.485 nan 8.190 nan 0.000 0.446 465 V N 0.364 120.231 119.914 -0.080 0.000 2.252 465 V HA -0.334 3.786 4.120 -0.000 0.000 0.249 465 V C 2.746 178.835 176.094 -0.010 0.000 1.056 465 V CA 2.254 64.483 62.300 -0.119 0.000 1.022 465 V CB -1.337 30.277 31.823 -0.348 0.000 0.641 465 V HN 0.577 nan 8.190 nan 0.000 0.445 466 A N 0.694 123.505 122.820 -0.014 0.000 1.870 466 A HA -0.416 3.904 4.320 -0.000 0.000 0.219 466 A C 2.035 179.635 177.584 0.027 0.000 1.224 466 A CA 2.940 54.986 52.037 0.014 0.000 0.650 466 A CB -1.206 17.798 19.000 0.007 0.000 0.836 466 A HN 0.710 nan 8.150 nan 0.000 0.454 467 N N -0.298 118.410 118.700 0.015 0.000 2.023 467 N HA -0.257 4.483 4.740 -0.000 0.000 0.200 467 N C 1.813 177.338 175.510 0.026 0.000 1.048 467 N CA 4.115 57.174 53.050 0.015 0.000 0.872 467 N CB -0.905 37.583 38.487 0.001 0.000 1.070 467 N HN 0.583 nan 8.380 nan 0.000 0.441 468 T N -2.234 112.330 114.554 0.017 0.000 2.849 468 T HA -0.103 4.247 4.350 -0.000 0.000 0.270 468 T C 1.914 176.663 174.700 0.081 0.000 1.066 468 T CA 1.673 63.775 62.100 0.002 0.000 1.130 468 T CB -0.842 67.946 68.868 -0.133 0.000 0.864 468 T HN 0.084 nan 8.240 nan 0.000 0.481 469 V N 1.450 121.428 119.914 0.107 0.000 2.453 469 V HA -0.060 4.060 4.120 -0.000 0.000 0.247 469 V C 2.865 179.027 176.094 0.113 0.000 1.048 469 V CA 1.332 63.694 62.300 0.103 0.000 1.049 469 V CB -0.472 31.395 31.823 0.074 0.000 0.672 469 V HN 0.421 nan 8.190 nan 0.000 0.457 470 K N 0.956 121.405 120.400 0.082 0.000 2.063 470 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 470 K C 2.290 178.940 176.600 0.084 0.000 1.048 470 K CA 1.567 57.896 56.287 0.069 0.000 0.928 470 K CB -1.104 31.423 32.500 0.044 0.000 0.713 470 K HN 0.513 nan 8.250 nan 0.000 0.442 471 G N 1.593 110.443 108.800 0.084 0.000 2.631 471 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 471 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 471 G C 1.092 176.048 174.900 0.093 0.000 1.214 471 G CA 1.386 46.529 45.100 0.071 0.000 0.785 471 G HN 0.470 nan 8.290 nan 0.000 0.596 472 G N -0.683 108.238 108.800 0.201 0.000 2.518 472 G HA2 0.401 4.361 3.960 -0.000 0.000 0.284 472 G HA3 0.401 4.361 3.960 -0.000 0.000 0.284 472 G C -0.356 174.651 174.900 0.178 0.000 1.362 472 G CA 0.352 45.574 45.100 0.204 0.000 1.065 472 G HN 0.398 nan 8.290 nan 0.000 0.561 473 D N -2.454 118.046 120.400 0.166 0.000 2.664 473 D HA 0.496 5.136 4.640 -0.000 0.000 0.292 473 D C 0.775 177.158 176.300 0.138 0.000 1.214 473 D CA 0.510 54.581 54.000 0.118 0.000 0.932 473 D CB 1.207 42.039 40.800 0.053 0.000 1.420 473 D HN 0.974 nan 8.370 nan 0.000 0.471 474 G N 1.046 109.901 108.800 0.093 0.000 2.596 474 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.295 474 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.295 474 G C 0.212 175.173 174.900 0.102 0.000 1.240 474 G CA 0.101 45.251 45.100 0.084 0.000 0.985 474 G HN 0.543 nan 8.290 nan 0.000 0.555 475 N N 0.596 119.358 118.700 0.105 0.000 2.378 475 N HA 0.165 4.905 4.740 -0.000 0.000 0.243 475 N C -0.241 175.354 175.510 0.142 0.000 1.137 475 N CA 0.125 53.231 53.050 0.094 0.000 0.862 475 N CB 0.218 38.745 38.487 0.065 0.000 1.116 475 N HN 0.470 nan 8.380 nan 0.000 0.499 476 Y N 1.067 121.399 120.300 0.053 0.000 2.393 476 Y HA 0.512 5.062 4.550 0.000 0.000 0.338 476 Y C 0.581 176.547 175.900 0.111 0.000 1.029 476 Y CA -0.505 57.642 58.100 0.077 0.000 1.239 476 Y CB 0.335 38.836 38.460 0.069 0.000 1.170 476 Y HN 0.097 nan 8.280 nan 0.000 0.515 477 G N 4.195 112.717 108.800 -0.463 0.000 2.815 477 G HA2 0.279 4.239 3.960 -0.000 0.000 0.305 477 G HA3 0.279 4.239 3.960 -0.000 0.000 0.305 477 G C -2.407 172.330 174.900 -0.272 0.000 1.277 477 G CA -0.852 44.034 45.100 -0.357 0.000 0.795 477 G HN 0.518 nan 8.290 nan 0.000 0.528 478 Y N 1.466 121.572 120.300 -0.324 0.000 2.341 478 Y HA 0.584 5.134 4.550 -0.000 0.000 0.338 478 Y C -0.306 175.391 175.900 -0.337 0.000 0.965 478 Y CA -1.639 56.136 58.100 -0.541 0.000 1.108 478 Y CB 1.632 39.634 38.460 -0.763 0.000 1.180 478 Y HN 0.403 nan 8.280 nan 0.000 0.458 479 N N 5.148 123.383 118.700 -0.774 0.000 2.482 479 N HA 0.173 4.913 4.740 -0.000 0.000 0.242 479 N C 0.621 175.561 175.510 -0.950 0.000 1.100 479 N CA 0.670 53.343 53.050 -0.629 0.000 0.946 479 N CB 1.284 39.563 38.487 -0.347 0.000 1.227 479 N HN 0.962 nan 8.380 nan 0.000 0.508 480 A N 4.063 126.367 122.820 -0.860 0.000 1.948 480 A HA -0.167 4.152 4.320 -0.000 0.000 0.220 480 A C 2.107 179.484 177.584 -0.345 0.000 1.177 480 A CA 1.960 53.617 52.037 -0.633 0.000 0.636 480 A CB -0.704 18.142 19.000 -0.255 0.000 0.815 480 A HN 0.717 nan 8.150 nan 0.000 0.449 481 A N -0.871 121.794 122.820 -0.259 0.000 2.024 481 A HA -0.060 4.260 4.320 -0.000 0.000 0.220 481 A C 2.201 179.699 177.584 -0.144 0.000 1.164 481 A CA 2.455 54.398 52.037 -0.157 0.000 0.643 481 A CB -0.789 18.139 19.000 -0.121 0.000 0.806 481 A HN 0.919 nan 8.150 nan 0.000 0.451 482 T N -5.103 109.332 114.554 -0.198 0.000 3.004 482 T HA 0.285 4.635 4.350 -0.000 0.000 0.266 482 T C 0.272 174.893 174.700 -0.132 0.000 0.986 482 T CA 0.661 62.681 62.100 -0.134 0.000 0.902 482 T CB -0.117 68.686 68.868 -0.109 0.000 1.118 482 T HN 0.539 nan 8.240 nan 0.000 0.522 483 E N 0.831 120.873 120.200 -0.264 0.000 2.637 483 E HA -0.156 4.194 4.350 -0.000 0.000 0.265 483 E C -0.758 175.855 176.600 0.021 0.000 1.073 483 E CA 0.592 56.929 56.400 -0.105 0.000 0.778 483 E CB -1.691 28.055 29.700 0.077 0.000 1.362 483 E HN 0.750 nan 8.360 nan 0.000 0.413 484 E N -0.161 119.949 120.200 -0.150 0.000 2.234 484 E HA 0.400 4.750 4.350 -0.000 0.000 0.266 484 E C -0.736 175.867 176.600 0.006 0.000 0.877 484 E CA -0.678 55.745 56.400 0.039 0.000 0.758 484 E CB 1.108 30.830 29.700 0.037 0.000 1.170 484 E HN 0.032 nan 8.360 nan 0.000 0.415 485 Y N 0.875 121.274 120.300 0.165 0.000 2.340 485 Y HA 0.657 5.207 4.550 0.000 0.000 0.327 485 Y C 1.261 177.251 175.900 0.150 0.000 1.321 485 Y CA 0.397 58.559 58.100 0.104 0.000 1.433 485 Y CB 1.228 39.765 38.460 0.128 0.000 1.373 485 Y HN 0.721 nan 8.280 nan 0.000 0.538 486 G N 0.141 109.133 108.800 0.321 0.000 2.403 486 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.223 486 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.223 486 G C -1.581 173.504 174.900 0.308 0.000 1.287 486 G CA -1.029 44.312 45.100 0.401 0.000 0.982 486 G HN 0.565 nan 8.290 nan 0.000 0.471 487 N N 1.642 120.460 118.700 0.195 0.000 2.521 487 N HA 0.183 4.923 4.740 -0.000 0.000 0.236 487 N C 1.900 177.448 175.510 0.064 0.000 1.067 487 N CA -0.518 52.614 53.050 0.136 0.000 0.939 487 N CB 0.548 39.097 38.487 0.103 0.000 1.201 487 N HN 0.406 nan 8.380 nan 0.000 0.511 488 M N 2.871 122.491 119.600 0.033 0.000 2.146 488 M HA -0.232 4.248 4.480 -0.000 0.000 0.256 488 M C 1.621 177.921 176.300 0.000 0.000 1.075 488 M CA 1.436 56.731 55.300 -0.008 0.000 1.082 488 M CB -0.566 32.020 32.600 -0.023 0.000 1.355 488 M HN 0.565 nan 8.290 nan 0.000 0.402 489 I N -0.251 120.330 120.570 0.018 0.000 2.333 489 I HA -0.242 3.928 4.170 -0.000 0.000 0.246 489 I C 1.838 177.964 176.117 0.016 0.000 1.106 489 I CA 0.984 62.293 61.300 0.015 0.000 1.411 489 I CB -0.462 37.551 38.000 0.022 0.000 1.082 489 I HN 0.188 nan 8.210 nan 0.000 0.420 490 D N 0.903 121.319 120.400 0.026 0.000 2.144 490 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 490 D C 2.098 178.408 176.300 0.016 0.000 0.978 490 D CA 1.330 55.344 54.000 0.024 0.000 0.833 490 D CB -0.199 40.623 40.800 0.036 0.000 0.961 490 D HN 0.300 nan 8.370 nan 0.000 0.470 491 M N -0.493 119.115 119.600 0.013 0.000 2.686 491 M HA 0.102 4.582 4.480 -0.000 0.000 0.246 491 M C 1.049 177.340 176.300 -0.015 0.000 1.096 491 M CA 0.730 56.028 55.300 -0.003 0.000 1.076 491 M CB 0.071 32.661 32.600 -0.017 0.000 1.504 491 M HN 0.086 nan 8.290 nan 0.000 0.524 492 G N 1.609 110.404 108.800 -0.008 0.000 2.176 492 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.252 492 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.252 492 G C -0.168 174.720 174.900 -0.020 0.000 1.024 492 G CA -0.328 44.766 45.100 -0.011 0.000 0.755 492 G HN 0.411 nan 8.290 nan 0.000 0.507 493 I N 1.283 121.839 120.570 -0.024 0.000 2.428 493 I HA 0.614 4.784 4.170 -0.000 0.000 0.279 493 I C 0.534 176.637 176.117 -0.023 0.000 1.040 493 I CA -0.853 60.427 61.300 -0.034 0.000 1.171 493 I CB 0.287 38.252 38.000 -0.058 0.000 1.312 493 I HN 0.398 nan 8.210 nan 0.000 0.470 494 L N 3.053 124.267 121.223 -0.016 0.000 2.510 494 L HA 0.850 5.190 4.340 -0.000 0.000 0.252 494 L C -1.599 175.267 176.870 -0.006 0.000 1.091 494 L CA -0.828 54.008 54.840 -0.008 0.000 0.888 494 L CB 2.789 44.848 42.059 -0.000 0.000 1.507 494 L HN 0.036 nan 8.230 nan 0.000 0.407 495 D N -0.154 120.245 120.400 -0.002 0.000 2.896 495 D HA 0.432 5.072 4.640 -0.000 0.000 0.241 495 D C -2.799 173.502 176.300 0.003 0.000 1.188 495 D CA -1.187 52.812 54.000 -0.001 0.000 0.879 495 D CB 2.580 43.378 40.800 -0.003 0.000 1.553 495 D HN 0.318 nan 8.370 nan 0.000 0.515 496 P HA 0.015 nan 4.420 nan 0.000 0.258 496 P C 0.914 178.217 177.300 0.004 0.000 1.187 496 P CA 0.260 63.365 63.100 0.008 0.000 0.767 496 P CB 0.558 32.266 31.700 0.013 0.000 0.770 497 T N 3.227 117.784 114.554 0.004 0.000 2.624 497 T HA -0.302 4.048 4.350 -0.000 0.000 0.266 497 T C 1.637 176.334 174.700 -0.005 0.000 1.050 497 T CA 1.769 63.869 62.100 0.000 0.000 1.163 497 T CB -0.418 68.451 68.868 0.002 0.000 0.861 497 T HN 0.508 nan 8.240 nan 0.000 0.443 498 K N 0.652 121.050 120.400 -0.004 0.000 2.000 498 K HA -0.210 4.110 4.320 -0.000 0.000 0.218 498 K C 2.459 179.049 176.600 -0.017 0.000 1.053 498 K CA 2.321 58.601 56.287 -0.011 0.000 0.946 498 K CB -0.623 31.876 32.500 -0.001 0.000 0.723 498 K HN 0.375 nan 8.250 nan 0.000 0.446 499 V N -0.565 119.344 119.914 -0.009 0.000 2.287 499 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 499 V C 1.983 178.073 176.094 -0.007 0.000 1.053 499 V CA 2.560 64.855 62.300 -0.007 0.000 1.027 499 V CB -1.366 30.453 31.823 -0.007 0.000 0.646 499 V HN 0.411 nan 8.190 nan 0.000 0.447 500 T N 0.308 114.858 114.554 -0.007 0.000 2.635 500 T HA -0.258 4.092 4.350 -0.000 0.000 0.267 500 T C 1.954 176.646 174.700 -0.013 0.000 1.040 500 T CA 2.565 64.662 62.100 -0.005 0.000 1.156 500 T CB -0.437 68.428 68.868 -0.004 0.000 0.863 500 T HN 0.665 nan 8.240 nan 0.000 0.430 501 R N 0.863 121.348 120.500 -0.024 0.000 2.088 501 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 501 R C 2.626 178.883 176.300 -0.071 0.000 1.136 501 R CA 2.049 58.124 56.100 -0.042 0.000 0.926 501 R CB -0.599 29.672 30.300 -0.049 0.000 0.837 501 R HN 0.298 nan 8.270 nan 0.000 0.429 502 S N 0.923 116.567 115.700 -0.093 0.000 2.434 502 S HA -0.338 4.132 4.470 -0.000 0.000 0.240 502 S C 2.077 176.629 174.600 -0.079 0.000 1.052 502 S CA 1.719 59.821 58.200 -0.164 0.000 1.198 502 S CB -0.964 62.188 63.200 -0.080 0.000 1.124 502 S HN 0.646 nan 8.310 nan 0.000 0.426 503 A N 2.431 125.266 122.820 0.024 0.000 1.873 503 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 503 A C 2.137 179.760 177.584 0.064 0.000 1.269 503 A CA 2.158 54.240 52.037 0.076 0.000 0.671 503 A CB -1.283 17.742 19.000 0.042 0.000 0.842 503 A HN 0.470 nan 8.150 nan 0.000 0.460 504 L N -0.265 120.970 121.223 0.021 0.000 2.043 504 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 504 L C 2.504 179.380 176.870 0.011 0.000 1.075 504 L CA 2.767 57.616 54.840 0.015 0.000 0.752 504 L CB -1.235 40.824 42.059 0.000 0.000 0.891 504 L HN 0.636 nan 8.230 nan 0.000 0.432 505 Q N -1.499 118.281 119.800 -0.034 0.000 2.079 505 Q HA -0.220 4.120 4.340 -0.000 0.000 0.200 505 Q C 2.100 178.115 176.000 0.024 0.000 0.974 505 Q CA 1.542 57.309 55.803 -0.060 0.000 0.840 505 Q CB -0.256 28.377 28.738 -0.176 0.000 0.898 505 Q HN 0.455 nan 8.270 nan 0.000 0.430 506 Y N 0.708 121.007 120.300 -0.002 0.000 2.181 506 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 506 Y C 2.444 178.343 175.900 -0.002 0.000 1.146 506 Y CA 0.769 58.867 58.100 -0.002 0.000 1.164 506 Y CB -0.918 37.539 38.460 -0.004 0.000 0.982 506 Y HN 0.134 nan 8.280 nan 0.000 0.515 507 A N 0.015 122.937 122.820 0.170 0.000 1.883 507 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 507 A C 2.538 180.164 177.584 0.070 0.000 1.186 507 A CA 2.309 54.400 52.037 0.090 0.000 0.624 507 A CB -1.333 17.703 19.000 0.060 0.000 0.822 507 A HN 0.399 nan 8.150 nan 0.000 0.444 508 A N -0.681 122.176 122.820 0.062 0.000 1.883 508 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 508 A C 2.461 180.076 177.584 0.051 0.000 1.186 508 A CA 2.416 54.478 52.037 0.043 0.000 0.624 508 A CB -1.191 17.826 19.000 0.028 0.000 0.822 508 A HN 0.698 nan 8.150 nan 0.000 0.444 509 S N -0.731 115.017 115.700 0.080 0.000 2.414 509 S HA -0.220 4.250 4.470 -0.000 0.000 0.225 509 S C 1.985 176.622 174.600 0.061 0.000 1.041 509 S CA 2.385 60.636 58.200 0.087 0.000 1.114 509 S CB -1.001 62.299 63.200 0.167 0.000 1.064 509 S HN 0.888 nan 8.310 nan 0.000 0.420 510 V N 2.284 122.234 119.914 0.061 0.000 2.317 510 V HA -0.172 3.948 4.120 -0.000 0.000 0.251 510 V C 2.615 178.723 176.094 0.023 0.000 1.065 510 V CA 2.573 64.891 62.300 0.030 0.000 1.049 510 V CB -1.519 30.313 31.823 0.015 0.000 0.651 510 V HN 0.693 nan 8.190 nan 0.000 0.450 511 A N 0.199 123.035 122.820 0.027 0.000 1.852 511 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 511 A C 2.487 180.080 177.584 0.016 0.000 1.215 511 A CA 2.534 54.582 52.037 0.019 0.000 0.641 511 A CB -1.804 17.208 19.000 0.020 0.000 0.838 511 A HN 0.776 nan 8.150 nan 0.000 0.450 512 G N -0.668 108.143 108.800 0.018 0.000 2.469 512 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 512 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 512 G C 1.441 176.348 174.900 0.012 0.000 1.150 512 G CA 1.331 46.439 45.100 0.014 0.000 0.763 512 G HN 0.390 nan 8.290 nan 0.000 0.561 513 L N 0.260 121.492 121.223 0.015 0.000 2.034 513 L HA -0.140 4.200 4.340 -0.000 0.000 0.217 513 L C 3.036 179.909 176.870 0.006 0.000 1.077 513 L CA 1.847 56.694 54.840 0.012 0.000 0.769 513 L CB -0.419 41.648 42.059 0.014 0.000 0.890 513 L HN 0.291 nan 8.230 nan 0.000 0.435 514 M N -1.745 117.858 119.600 0.005 0.000 2.081 514 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 514 M C 2.191 178.490 176.300 -0.002 0.000 1.075 514 M CA 1.669 56.969 55.300 -0.001 0.000 1.133 514 M CB -0.412 32.188 32.600 -0.000 0.000 1.330 514 M HN 0.143 nan 8.290 nan 0.000 0.414 515 I N 0.451 121.023 120.570 0.002 0.000 2.597 515 I HA -0.278 3.892 4.170 -0.000 0.000 0.262 515 I C 1.801 177.920 176.117 0.003 0.000 1.194 515 I CA 1.562 62.864 61.300 0.002 0.000 1.437 515 I CB -0.778 37.225 38.000 0.005 0.000 1.096 515 I HN 0.484 nan 8.210 nan 0.000 0.451 516 T N -4.558 109.998 114.554 0.003 0.000 3.085 516 T HA 0.141 4.491 4.350 -0.000 0.000 0.264 516 T C 0.641 175.342 174.700 0.001 0.000 1.019 516 T CA -0.268 61.834 62.100 0.004 0.000 0.910 516 T CB -0.190 68.681 68.868 0.006 0.000 1.059 516 T HN -0.025 nan 8.240 nan 0.000 0.542 517 T N 2.872 117.423 114.554 -0.005 0.000 2.794 517 T HA 0.282 4.632 4.350 -0.000 0.000 0.296 517 T C 0.572 175.262 174.700 -0.017 0.000 0.949 517 T CA -0.396 61.695 62.100 -0.015 0.000 1.101 517 T CB 1.309 70.164 68.868 -0.022 0.000 0.905 517 T HN 0.114 nan 8.240 nan 0.000 0.516 518 E N 0.557 120.746 120.200 -0.019 0.000 2.511 518 E HA 0.199 4.549 4.350 -0.000 0.000 0.209 518 E C 0.086 176.651 176.600 -0.058 0.000 0.986 518 E CA 0.045 56.445 56.400 0.001 0.000 0.974 518 E CB 0.742 30.468 29.700 0.044 0.000 1.030 518 E HN 0.544 nan 8.360 nan 0.000 0.490 519 C N 0.263 119.478 119.300 -0.142 0.000 3.170 519 C HA 0.672 5.132 4.460 -0.000 0.000 0.319 519 C C -1.558 173.302 174.990 -0.218 0.000 1.260 519 C CA -0.541 58.283 59.018 -0.323 0.000 1.374 519 C CB 0.971 28.441 27.740 -0.451 0.000 1.739 519 C HN 0.140 nan 8.230 nan 0.000 0.479 520 M N 4.297 123.755 119.600 -0.237 0.000 2.224 520 M HA 0.491 4.971 4.480 -0.000 0.000 0.281 520 M C -1.171 175.219 176.300 0.151 0.000 1.025 520 M CA -0.392 54.897 55.300 -0.018 0.000 0.954 520 M CB 1.942 34.545 32.600 0.005 0.000 1.639 520 M HN 0.349 nan 8.290 nan 0.000 0.461 521 V N 1.322 121.306 119.914 0.116 0.000 2.667 521 V HA 0.916 5.036 4.120 -0.000 0.000 0.308 521 V C -0.115 175.994 176.094 0.025 0.000 1.048 521 V CA -0.355 61.993 62.300 0.081 0.000 0.928 521 V CB 2.091 33.918 31.823 0.006 0.000 1.004 521 V HN 0.945 nan 8.190 nan 0.000 0.444 522 T N 1.208 115.722 114.554 -0.067 0.000 2.722 522 T HA 0.258 4.608 4.350 -0.000 0.000 0.314 522 T C -1.743 172.857 174.700 -0.167 0.000 1.675 522 T CA -0.627 61.371 62.100 -0.169 0.000 1.003 522 T CB 1.758 70.402 68.868 -0.374 0.000 1.602 522 T HN 0.647 nan 8.240 nan 0.000 0.496 523 D N 1.239 121.549 120.400 -0.150 0.000 2.371 523 D HA 0.384 5.024 4.640 -0.000 0.000 0.242 523 D C 0.220 176.436 176.300 -0.140 0.000 1.218 523 D CA -0.080 53.853 54.000 -0.112 0.000 0.945 523 D CB 0.445 41.194 40.800 -0.084 0.000 1.137 523 D HN 0.426 nan 8.370 nan 0.000 0.464 524 L N 2.069 123.239 121.223 -0.089 0.000 2.350 524 L HA 0.176 4.516 4.340 -0.000 0.000 0.275 524 L C -0.526 176.301 176.870 -0.072 0.000 1.099 524 L CA -1.364 53.429 54.840 -0.078 0.000 0.808 524 L CB 0.757 42.792 42.059 -0.039 0.000 1.149 524 L HN 0.339 nan 8.230 nan 0.000 0.442 525 P HA -0.119 nan 4.420 nan 0.000 0.213 525 P C 0.138 177.416 177.300 -0.036 0.000 1.170 525 P CA 1.579 64.647 63.100 -0.053 0.000 0.902 525 P CB 0.160 31.837 31.700 -0.038 0.000 0.789 526 K N 0.000 120.385 120.400 -0.026 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543