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 1kpo_1_Z 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 KKARVEAALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 0.001 0.000 1.274 2 A CA 0.000 52.037 52.037 0.000 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 3 A N 1.266 124.085 122.820 -0.002 0.000 2.567 3 A HA 0.392 4.712 4.320 0.000 0.000 0.263 3 A C 0.440 178.021 177.584 -0.005 0.000 1.030 3 A CA 0.694 52.730 52.037 -0.002 0.000 0.833 3 A CB -0.699 18.297 19.000 -0.007 0.000 0.924 3 A HN 0.556 nan 8.150 nan 0.000 0.518 4 K N 1.854 122.257 120.400 0.004 0.000 2.109 4 K HA 0.422 4.742 4.320 0.000 0.000 0.243 4 K C -0.559 176.043 176.600 0.003 0.000 1.006 4 K CA -0.648 55.643 56.287 0.007 0.000 0.917 4 K CB 0.876 33.391 32.500 0.026 0.000 1.081 4 K HN 0.731 nan 8.250 nan 0.000 0.468 5 D N 0.200 120.607 120.400 0.012 0.000 2.350 5 D HA 0.420 5.060 4.640 0.000 0.000 0.245 5 D C -1.480 174.876 176.300 0.093 0.000 1.036 5 D CA -0.700 53.311 54.000 0.018 0.000 0.848 5 D CB 1.497 42.269 40.800 -0.047 0.000 1.307 5 D HN 0.049 nan 8.370 nan 0.000 0.469 6 V N 3.763 123.687 119.914 0.015 0.000 2.623 6 V HA 0.448 4.568 4.120 0.000 0.000 0.304 6 V C -0.271 175.583 176.094 -0.399 0.000 1.054 6 V CA -0.748 61.473 62.300 -0.132 0.000 0.882 6 V CB 2.025 33.735 31.823 -0.189 0.000 1.002 6 V HN 0.460 nan 8.190 nan 0.000 0.424 7 K N 3.506 123.603 120.400 -0.506 0.000 2.375 7 K HA 0.815 5.135 4.320 0.000 0.000 0.249 7 K C -1.720 174.508 176.600 -0.619 0.000 0.942 7 K CA -0.496 55.438 56.287 -0.589 0.000 0.806 7 K CB 2.350 34.641 32.500 -0.349 0.000 1.227 7 K HN 0.444 nan 8.250 nan 0.000 0.430 8 F N -0.187 119.717 119.950 -0.076 0.000 2.620 8 F HA 0.595 5.122 4.527 0.000 0.000 0.320 8 F C 0.890 176.655 175.800 -0.059 0.000 1.069 8 F CA -0.477 57.482 58.000 -0.070 0.000 0.953 8 F CB 1.259 40.236 39.000 -0.039 0.000 1.322 8 F HN 0.768 nan 8.300 nan 0.000 0.479 9 G N 1.341 110.243 108.800 0.170 0.000 2.601 9 G HA2 -0.333 3.627 3.960 0.000 0.000 0.261 9 G HA3 -0.333 3.627 3.960 0.000 0.000 0.261 9 G C 0.801 175.719 174.900 0.030 0.000 1.289 9 G CA 0.388 45.534 45.100 0.076 0.000 0.920 9 G HN 0.830 nan 8.290 nan 0.000 0.571 10 N N 0.266 118.978 118.700 0.022 0.000 2.100 10 N HA -0.280 4.460 4.740 0.000 0.000 0.199 10 N C 1.740 177.247 175.510 -0.006 0.000 1.017 10 N CA 2.304 55.358 53.050 0.008 0.000 0.890 10 N CB -0.389 38.105 38.487 0.012 0.000 1.080 10 N HN 0.699 nan 8.380 nan 0.000 0.525 11 D N 0.744 121.142 120.400 -0.003 0.000 2.355 11 D HA -0.268 4.372 4.640 0.000 0.000 0.192 11 D C 1.823 178.079 176.300 -0.075 0.000 1.014 11 D CA 1.896 55.885 54.000 -0.018 0.000 0.862 11 D CB -0.819 39.972 40.800 -0.015 0.000 0.986 11 D HN 0.437 nan 8.370 nan 0.000 0.456 12 A N -0.014 122.728 122.820 -0.130 0.000 2.042 12 A HA -0.270 4.050 4.320 0.000 0.000 0.222 12 A C 2.124 179.609 177.584 -0.165 0.000 1.167 12 A CA 1.987 53.878 52.037 -0.244 0.000 0.649 12 A CB -0.398 18.497 19.000 -0.175 0.000 0.809 12 A HN 0.191 nan 8.150 nan 0.000 0.457 13 R N -1.101 119.353 120.500 -0.078 0.000 2.062 13 R HA 0.013 4.353 4.340 0.000 0.000 0.218 13 R C 2.239 178.523 176.300 -0.026 0.000 1.161 13 R CA 1.114 57.187 56.100 -0.046 0.000 0.994 13 R CB -0.736 29.550 30.300 -0.023 0.000 0.888 13 R HN 0.509 nan 8.270 nan 0.000 0.442 14 V N 0.857 120.763 119.914 -0.013 0.000 2.439 14 V HA -0.290 3.830 4.120 0.000 0.000 0.253 14 V C 1.879 177.980 176.094 0.011 0.000 1.074 14 V CA 1.690 63.992 62.300 0.002 0.000 1.076 14 V CB -0.533 31.295 31.823 0.009 0.000 0.664 14 V HN 0.147 nan 8.190 nan 0.000 0.461 15 K N -0.100 120.308 120.400 0.012 0.000 2.026 15 K HA -0.022 4.298 4.320 0.000 0.000 0.208 15 K C 2.263 178.886 176.600 0.039 0.000 1.048 15 K CA 2.124 58.443 56.287 0.053 0.000 0.929 15 K CB -0.549 32.015 32.500 0.106 0.000 0.713 15 K HN 0.546 nan 8.250 nan 0.000 0.439 16 M N 0.473 120.074 119.600 0.002 0.000 2.080 16 M HA -0.210 4.270 4.480 0.000 0.000 0.260 16 M C 2.227 178.532 176.300 0.009 0.000 1.068 16 M CA 1.236 56.538 55.300 0.003 0.000 1.109 16 M CB -0.429 32.159 32.600 -0.020 0.000 1.342 16 M HN 0.068 nan 8.290 nan 0.000 0.405 17 L N 0.766 121.992 121.223 0.005 0.000 1.943 17 L HA -0.228 4.112 4.340 0.000 0.000 0.215 17 L C 2.434 179.311 176.870 0.011 0.000 1.074 17 L CA 2.111 56.955 54.840 0.006 0.000 0.759 17 L CB -1.019 41.043 42.059 0.004 0.000 0.888 17 L HN 0.161 nan 8.230 nan 0.000 0.433 18 R N 0.329 120.838 120.500 0.014 0.000 2.153 18 R HA -0.143 4.197 4.340 0.000 0.000 0.252 18 R C 2.118 178.429 176.300 0.018 0.000 1.158 18 R CA 1.861 57.970 56.100 0.016 0.000 0.975 18 R CB -1.572 28.741 30.300 0.021 0.000 0.871 18 R HN 0.627 nan 8.270 nan 0.000 0.450 19 G N -0.598 108.217 108.800 0.025 0.000 2.408 19 G HA2 -0.181 3.779 3.960 0.000 0.000 0.217 19 G HA3 -0.181 3.779 3.960 0.000 0.000 0.217 19 G C 1.420 176.329 174.900 0.016 0.000 1.150 19 G CA 1.048 46.164 45.100 0.026 0.000 0.776 19 G HN 0.378 nan 8.290 nan 0.000 0.542 20 V N -1.188 118.734 119.914 0.012 0.000 2.535 20 V HA 0.010 4.130 4.120 0.000 0.000 0.246 20 V C 2.196 178.293 176.094 0.006 0.000 1.045 20 V CA 1.603 63.907 62.300 0.008 0.000 1.058 20 V CB -0.633 31.194 31.823 0.006 0.000 0.689 20 V HN 0.131 nan 8.190 nan 0.000 0.461 21 N N 1.079 119.783 118.700 0.006 0.000 2.247 21 N HA -0.144 4.596 4.740 0.000 0.000 0.189 21 N C 1.646 177.158 175.510 0.003 0.000 1.009 21 N CA 1.734 54.787 53.050 0.004 0.000 0.872 21 N CB -0.470 38.020 38.487 0.005 0.000 0.980 21 N HN 0.529 nan 8.380 nan 0.000 0.436 22 V N 0.704 120.620 119.914 0.003 0.000 2.256 22 V HA -0.139 3.981 4.120 0.000 0.000 0.240 22 V C 2.329 178.422 176.094 -0.000 0.000 1.036 22 V CA 0.882 63.183 62.300 0.001 0.000 1.008 22 V CB -0.641 31.183 31.823 0.002 0.000 0.648 22 V HN 0.183 nan 8.190 nan 0.000 0.453 23 L N 0.754 121.977 121.223 0.000 0.000 2.089 23 L HA -0.215 4.125 4.340 0.000 0.000 0.213 23 L C 2.229 179.097 176.870 -0.002 0.000 1.079 23 L CA 2.519 57.358 54.840 -0.002 0.000 0.758 23 L CB -1.006 41.052 42.059 -0.002 0.000 0.891 23 L HN 0.285 nan 8.230 nan 0.000 0.433 24 A N -0.835 121.984 122.820 -0.001 0.000 1.824 24 A HA -0.172 4.148 4.320 0.000 0.000 0.215 24 A C 1.958 179.540 177.584 -0.002 0.000 1.244 24 A CA 1.393 53.429 52.037 -0.001 0.000 0.604 24 A CB -1.161 17.839 19.000 0.000 0.000 0.900 24 A HN 0.479 nan 8.150 nan 0.000 0.455 25 D N 0.236 120.635 120.400 -0.002 0.000 2.276 25 D HA -0.172 4.468 4.640 0.000 0.000 0.200 25 D C 1.604 177.902 176.300 -0.004 0.000 1.004 25 D CA 1.638 55.636 54.000 -0.003 0.000 0.898 25 D CB -0.290 40.509 40.800 -0.003 0.000 0.906 25 D HN 0.440 nan 8.370 nan 0.000 0.457 26 A N -0.448 122.369 122.820 -0.004 0.000 2.337 26 A HA 0.269 4.589 4.320 0.000 0.000 0.227 26 A C 1.691 179.272 177.584 -0.005 0.000 1.259 26 A CA 0.010 52.044 52.037 -0.005 0.000 0.870 26 A CB 0.525 19.522 19.000 -0.005 0.000 0.927 26 A HN 0.137 nan 8.150 nan 0.000 0.497 27 V N -0.831 119.080 119.914 -0.005 0.000 3.245 27 V HA -0.029 4.091 4.120 0.000 0.000 0.246 27 V C 1.642 177.733 176.094 -0.005 0.000 1.487 27 V CA 0.846 63.143 62.300 -0.005 0.000 1.154 27 V CB -0.002 31.818 31.823 -0.005 0.000 0.971 27 V HN 0.663 nan 8.190 nan 0.000 0.443 28 K N 2.312 122.709 120.400 -0.005 0.000 2.687 28 K HA -0.006 4.314 4.320 0.000 0.000 0.197 28 K C 1.212 177.808 176.600 -0.007 0.000 1.018 28 K CA 1.454 57.737 56.287 -0.006 0.000 1.035 28 K CB -0.184 32.312 32.500 -0.006 0.000 0.834 28 K HN 0.527 nan 8.250 nan 0.000 0.496 29 V N -2.715 117.195 119.914 -0.007 0.000 2.908 29 V HA -0.040 4.080 4.120 0.000 0.000 0.240 29 V C 2.134 178.225 176.094 -0.006 0.000 1.117 29 V CA 0.778 63.074 62.300 -0.007 0.000 1.133 29 V CB -0.308 31.511 31.823 -0.006 0.000 0.857 29 V HN 0.436 nan 8.190 nan 0.000 0.478 30 T N -0.542 114.009 114.554 -0.005 0.000 3.320 30 T HA 0.107 4.457 4.350 0.000 0.000 0.258 30 T C 0.453 175.151 174.700 -0.004 0.000 1.176 30 T CA 0.146 62.243 62.100 -0.005 0.000 1.037 30 T CB -0.984 67.881 68.868 -0.005 0.000 0.958 30 T HN 0.279 nan 8.240 nan 0.000 0.545 31 L N 2.250 123.470 121.223 -0.005 0.000 2.361 31 L HA 0.575 4.915 4.340 0.000 0.000 0.278 31 L C 0.985 177.854 176.870 -0.003 0.000 1.113 31 L CA 1.489 56.326 54.840 -0.005 0.000 0.849 31 L CB -0.376 41.679 42.059 -0.007 0.000 1.155 31 L HN 0.648 nan 8.230 nan 0.000 0.452 32 G N 5.016 113.815 108.800 -0.001 0.000 2.527 32 G HA2 -0.215 3.745 3.960 0.000 0.000 0.227 32 G HA3 -0.215 3.745 3.960 0.000 0.000 0.227 32 G C -1.995 172.907 174.900 0.003 0.000 1.291 32 G CA -0.078 45.023 45.100 0.003 0.000 0.904 32 G HN 0.589 nan 8.290 nan 0.000 0.577 33 P HA 0.211 nan 4.420 nan 0.000 0.221 33 P C 0.918 178.220 177.300 0.004 0.000 1.152 33 P CA 0.835 63.938 63.100 0.004 0.000 0.851 33 P CB 0.210 31.913 31.700 0.005 0.000 0.833 34 K N 1.109 121.513 120.400 0.007 0.000 2.596 34 K HA 0.273 4.593 4.320 0.000 0.000 0.211 34 K C 0.997 177.598 176.600 0.001 0.000 1.046 34 K CA -0.135 56.155 56.287 0.005 0.000 1.202 34 K CB -0.459 32.047 32.500 0.011 0.000 0.925 34 K HN 0.116 nan 8.250 nan 0.000 0.486 35 G N 1.317 110.117 108.800 0.000 0.000 2.483 35 G HA2 0.171 4.131 3.960 0.000 0.000 0.248 35 G HA3 0.171 4.131 3.960 0.000 0.000 0.248 35 G C 0.198 175.096 174.900 -0.002 0.000 1.248 35 G CA -0.472 44.627 45.100 -0.002 0.000 0.838 35 G HN 0.071 nan 8.290 nan 0.000 0.566 36 R N 0.758 121.256 120.500 -0.003 0.000 2.541 36 R HA 0.292 4.632 4.340 0.000 0.000 0.254 36 R C -0.278 176.020 176.300 -0.003 0.000 1.130 36 R CA -0.913 55.185 56.100 -0.003 0.000 1.152 36 R CB 0.050 30.348 30.300 -0.003 0.000 1.222 36 R HN 0.578 nan 8.270 nan 0.000 0.579 37 N N -1.088 117.610 118.700 -0.003 0.000 2.443 37 N HA 0.396 5.136 4.740 0.000 0.000 0.295 37 N C -1.150 174.358 175.510 -0.003 0.000 1.076 37 N CA -0.528 52.520 53.050 -0.003 0.000 0.919 37 N CB 1.789 40.275 38.487 -0.002 0.000 1.176 37 N HN 0.087 nan 8.380 nan 0.000 0.487 38 V N 1.891 121.803 119.914 -0.004 0.000 2.487 38 V HA 0.380 4.500 4.120 0.000 0.000 0.298 38 V C -0.542 175.549 176.094 -0.005 0.000 1.028 38 V CA -0.824 61.473 62.300 -0.005 0.000 0.860 38 V CB 1.756 33.576 31.823 -0.006 0.000 0.991 38 V HN 0.374 nan 8.190 nan 0.000 0.427 39 V N 6.284 126.195 119.914 -0.005 0.000 2.383 39 V HA 0.439 4.559 4.120 0.000 0.000 0.275 39 V C -0.091 175.998 176.094 -0.007 0.000 1.036 39 V CA -0.468 61.830 62.300 -0.005 0.000 0.889 39 V CB 1.225 33.046 31.823 -0.004 0.000 0.985 39 V HN 0.628 nan 8.190 nan 0.000 0.459 40 L N 3.599 124.817 121.223 -0.008 0.000 2.321 40 L HA 0.406 4.746 4.340 0.000 0.000 0.272 40 L C 0.148 177.010 176.870 -0.013 0.000 1.050 40 L CA -0.496 54.337 54.840 -0.011 0.000 0.893 40 L CB 0.868 42.920 42.059 -0.011 0.000 1.272 40 L HN 0.618 nan 8.230 nan 0.000 0.435 41 D N 3.199 123.589 120.400 -0.016 0.000 2.571 41 D HA -0.031 4.609 4.640 0.000 0.000 0.231 41 D C -0.025 176.258 176.300 -0.029 0.000 1.133 41 D CA 1.083 55.072 54.000 -0.020 0.000 0.862 41 D CB 0.882 41.668 40.800 -0.024 0.000 1.179 41 D HN 0.342 nan 8.370 nan 0.000 0.474 42 K N 1.016 121.399 120.400 -0.028 0.000 2.258 42 K HA 0.367 4.687 4.320 0.000 0.000 0.236 42 K C 1.027 177.584 176.600 -0.071 0.000 1.008 42 K CA -0.595 55.668 56.287 -0.040 0.000 0.869 42 K CB 1.234 33.727 32.500 -0.012 0.000 1.171 42 K HN 0.544 nan 8.250 nan 0.000 0.447 43 S N 0.761 116.378 115.700 -0.139 0.000 2.309 43 S HA 0.055 4.525 4.470 0.000 0.000 0.206 43 S C 0.461 174.945 174.600 -0.193 0.000 1.028 43 S CA 0.450 58.480 58.200 -0.283 0.000 0.972 43 S CB -0.333 62.531 63.200 -0.560 0.000 0.961 43 S HN 0.364 nan 8.310 nan 0.000 0.449 44 F N 3.148 123.097 119.950 -0.002 0.000 2.404 44 F HA 0.707 5.234 4.527 0.000 0.000 0.358 44 F C 1.241 177.040 175.800 -0.001 0.000 1.120 44 F CA 0.037 58.036 58.000 -0.002 0.000 1.144 44 F CB 0.575 39.573 39.000 -0.002 0.000 1.133 44 F HN 0.815 nan 8.300 nan 0.000 0.495 45 G N 1.341 110.254 108.800 0.188 0.000 2.352 45 G HA2 0.378 4.338 3.960 0.000 0.000 0.324 45 G HA3 0.378 4.338 3.960 0.000 0.000 0.324 45 G C -1.458 173.480 174.900 0.063 0.000 1.249 45 G CA -0.584 44.577 45.100 0.102 0.000 1.053 45 G HN 0.900 nan 8.290 nan 0.000 0.492 46 A N 0.496 123.341 122.820 0.043 0.000 2.303 46 A HA 0.869 5.189 4.320 0.000 0.000 0.317 46 A C -1.656 175.939 177.584 0.019 0.000 1.149 46 A CA -0.767 51.286 52.037 0.027 0.000 0.822 46 A CB 0.178 19.191 19.000 0.022 0.000 1.131 46 A HN 0.664 nan 8.150 nan 0.000 0.493 47 P HA 0.163 nan 4.420 nan 0.000 0.270 47 P C -0.291 177.012 177.300 0.005 0.000 1.221 47 P CA 0.354 63.457 63.100 0.004 0.000 0.788 47 P CB 0.353 32.054 31.700 0.002 0.000 0.904 48 T N 1.862 116.417 114.554 0.001 0.000 2.794 48 T HA 0.543 4.893 4.350 0.000 0.000 0.280 48 T C 0.081 174.781 174.700 -0.000 0.000 0.987 48 T CA -0.332 61.769 62.100 0.002 0.000 0.993 48 T CB 0.210 69.078 68.868 0.001 0.000 0.939 48 T HN 0.156 nan 8.240 nan 0.000 0.449 49 I N 2.707 123.278 120.570 0.001 0.000 2.362 49 I HA 0.575 4.745 4.170 0.000 0.000 0.289 49 I C 0.399 176.516 176.117 -0.001 0.000 0.994 49 I CA -0.488 60.812 61.300 -0.000 0.000 1.158 49 I CB 1.727 39.728 38.000 0.001 0.000 1.315 49 I HN 0.516 nan 8.210 nan 0.000 0.451 50 T N 4.216 118.769 114.554 -0.002 0.000 2.762 50 T HA 0.415 4.765 4.350 0.000 0.000 0.301 50 T C -0.283 174.415 174.700 -0.003 0.000 1.299 50 T CA -0.563 61.535 62.100 -0.002 0.000 1.005 50 T CB 1.827 70.694 68.868 -0.003 0.000 1.377 50 T HN 0.676 nan 8.240 nan 0.000 0.504 51 K N 0.797 121.195 120.400 -0.003 0.000 2.536 51 K HA 0.207 4.527 4.320 0.000 0.000 0.203 51 K C -0.842 175.755 176.600 -0.005 0.000 1.063 51 K CA -0.250 56.034 56.287 -0.004 0.000 1.063 51 K CB 0.619 33.117 32.500 -0.003 0.000 0.843 51 K HN 0.363 nan 8.250 nan 0.000 0.521 52 D N 0.941 121.337 120.400 -0.006 0.000 2.483 52 D HA 0.084 4.724 4.640 0.000 0.000 0.220 52 D C 1.317 177.612 176.300 -0.009 0.000 1.173 52 D CA -0.078 53.917 54.000 -0.008 0.000 0.964 52 D CB 0.613 41.408 40.800 -0.008 0.000 1.046 52 D HN 0.283 nan 8.370 nan 0.000 0.517 53 G N 1.978 110.773 108.800 -0.008 0.000 2.605 53 G HA2 -0.275 3.685 3.960 0.000 0.000 0.222 53 G HA3 -0.275 3.685 3.960 0.000 0.000 0.222 53 G C 1.432 176.326 174.900 -0.011 0.000 1.092 53 G CA 0.898 45.993 45.100 -0.009 0.000 0.730 53 G HN 0.469 nan 8.290 nan 0.000 0.588 54 V N 0.427 120.334 119.914 -0.013 0.000 2.302 54 V HA -0.118 4.002 4.120 0.000 0.000 0.243 54 V C 2.976 179.062 176.094 -0.014 0.000 1.036 54 V CA 2.086 64.377 62.300 -0.015 0.000 1.020 54 V CB -0.551 31.261 31.823 -0.019 0.000 0.657 54 V HN 0.363 nan 8.190 nan 0.000 0.453 55 S N -0.050 115.642 115.700 -0.012 0.000 2.399 55 S HA -0.152 4.318 4.470 0.000 0.000 0.231 55 S C 1.983 176.576 174.600 -0.011 0.000 1.022 55 S CA 1.325 59.518 58.200 -0.011 0.000 0.983 55 S CB -0.160 63.035 63.200 -0.008 0.000 0.803 55 S HN 0.352 nan 8.310 nan 0.000 0.480 56 V N 1.621 121.529 119.914 -0.010 0.000 2.515 56 V HA -0.163 3.957 4.120 0.000 0.000 0.250 56 V C 2.458 178.546 176.094 -0.011 0.000 1.058 56 V CA 1.524 63.818 62.300 -0.010 0.000 1.064 56 V CB -1.056 30.761 31.823 -0.009 0.000 0.675 56 V HN 0.525 nan 8.190 nan 0.000 0.461 57 A N -0.229 122.584 122.820 -0.012 0.000 1.825 57 A HA -0.198 4.122 4.320 0.000 0.000 0.214 57 A C 2.329 179.905 177.584 -0.014 0.000 1.206 57 A CA 1.639 53.669 52.037 -0.012 0.000 0.609 57 A CB -0.667 18.324 19.000 -0.014 0.000 0.851 57 A HN 0.382 nan 8.150 nan 0.000 0.445 58 R N -0.277 120.214 120.500 -0.015 0.000 2.208 58 R HA -0.192 4.148 4.340 0.000 0.000 0.262 58 R C 1.021 177.312 176.300 -0.015 0.000 1.166 58 R CA 1.724 57.814 56.100 -0.016 0.000 0.987 58 R CB -0.331 29.960 30.300 -0.015 0.000 0.887 58 R HN 0.516 nan 8.270 nan 0.000 0.459 59 E N 0.063 120.254 120.200 -0.015 0.000 2.463 59 E HA 0.054 4.404 4.350 0.000 0.000 0.191 59 E C 0.170 176.761 176.600 -0.015 0.000 1.083 59 E CA 0.201 56.592 56.400 -0.016 0.000 0.872 59 E CB 0.157 29.847 29.700 -0.016 0.000 0.966 59 E HN 0.228 nan 8.360 nan 0.000 0.491 60 I N 1.030 121.592 120.570 -0.013 0.000 2.437 60 I HA 0.305 4.475 4.170 0.000 0.000 0.298 60 I C 0.172 176.282 176.117 -0.011 0.000 0.984 60 I CA -0.330 60.964 61.300 -0.011 0.000 1.214 60 I CB 1.434 39.428 38.000 -0.009 0.000 1.365 60 I HN -0.024 nan 8.210 nan 0.000 0.469 61 E N 6.394 126.588 120.200 -0.010 0.000 3.397 61 E HA 0.251 4.601 4.350 0.000 0.000 0.380 61 E C -1.876 174.718 176.600 -0.010 0.000 0.989 61 E CA -0.403 55.992 56.400 -0.009 0.000 0.783 61 E CB 1.033 30.725 29.700 -0.013 0.000 1.334 61 E HN 0.441 nan 8.360 nan 0.000 0.457 62 L N 2.679 123.899 121.223 -0.006 0.000 2.488 62 L HA 0.402 4.742 4.340 0.000 0.000 0.249 62 L C 1.666 178.527 176.870 -0.015 0.000 1.151 62 L CA -0.422 54.413 54.840 -0.008 0.000 0.806 62 L CB 0.580 42.639 42.059 -0.000 0.000 1.261 62 L HN 0.730 nan 8.230 nan 0.000 0.484 63 E N 0.286 120.474 120.200 -0.020 0.000 2.022 63 E HA -0.156 4.194 4.350 0.000 0.000 0.190 63 E C 0.449 177.022 176.600 -0.045 0.000 0.973 63 E CA 0.121 56.502 56.400 -0.032 0.000 0.816 63 E CB 0.128 29.810 29.700 -0.031 0.000 0.781 63 E HN 0.690 nan 8.360 nan 0.000 0.456 64 D N 1.349 121.724 120.400 -0.042 0.000 2.433 64 D HA -0.112 4.528 4.640 0.000 0.000 0.274 64 D C 0.656 176.912 176.300 -0.074 0.000 1.344 64 D CA 0.176 54.136 54.000 -0.067 0.000 0.989 64 D CB 0.530 41.313 40.800 -0.028 0.000 1.116 64 D HN 0.124 nan 8.370 nan 0.000 0.533 65 K N 3.375 123.684 120.400 -0.152 0.000 2.184 65 K HA -0.232 4.088 4.320 0.000 0.000 0.210 65 K C 1.706 178.308 176.600 0.003 0.000 1.048 65 K CA 1.355 57.558 56.287 -0.140 0.000 0.931 65 K CB -0.364 31.973 32.500 -0.271 0.000 0.718 65 K HN 0.462 nan 8.250 nan 0.000 0.465 66 F N 1.394 121.331 119.950 -0.022 0.000 2.074 66 F HA -0.025 4.502 4.527 0.000 0.000 0.290 66 F C 2.484 178.274 175.800 -0.015 0.000 1.118 66 F CA 0.629 58.617 58.000 -0.020 0.000 1.199 66 F CB -1.164 37.821 39.000 -0.025 0.000 1.012 66 F HN 0.091 nan 8.300 nan 0.000 0.472 67 E N 0.279 120.595 120.200 0.195 0.000 2.108 67 E HA -0.357 3.993 4.350 0.000 0.000 0.203 67 E C 1.888 178.531 176.600 0.071 0.000 1.022 67 E CA 1.876 58.335 56.400 0.099 0.000 0.823 67 E CB -0.686 29.050 29.700 0.060 0.000 0.744 67 E HN 0.414 nan 8.360 nan 0.000 0.456 68 N N 0.575 119.311 118.700 0.061 0.000 2.061 68 N HA -0.197 4.543 4.740 0.000 0.000 0.193 68 N C 1.917 177.456 175.510 0.048 0.000 1.030 68 N CA 1.650 54.723 53.050 0.039 0.000 0.856 68 N CB -0.075 38.426 38.487 0.022 0.000 1.023 68 N HN 0.084 nan 8.380 nan 0.000 0.424 69 M N -0.382 119.267 119.600 0.081 0.000 2.089 69 M HA -0.158 4.322 4.480 0.000 0.000 0.257 69 M C 2.197 178.524 176.300 0.044 0.000 1.071 69 M CA 1.957 57.303 55.300 0.076 0.000 1.096 69 M CB -0.883 31.794 32.600 0.127 0.000 1.330 69 M HN 0.433 nan 8.290 nan 0.000 0.403 70 G N -0.259 108.567 108.800 0.043 0.000 2.524 70 G HA2 -0.163 3.797 3.960 0.000 0.000 0.215 70 G HA3 -0.163 3.797 3.960 0.000 0.000 0.215 70 G C 1.527 176.437 174.900 0.016 0.000 1.239 70 G CA 1.047 46.160 45.100 0.021 0.000 0.798 70 G HN 0.570 nan 8.290 nan 0.000 0.557 71 A N -0.612 122.219 122.820 0.018 0.000 2.148 71 A HA -0.116 4.204 4.320 0.000 0.000 0.222 71 A C 2.273 179.860 177.584 0.005 0.000 1.161 71 A CA 1.991 54.034 52.037 0.010 0.000 0.662 71 A CB -0.260 18.746 19.000 0.010 0.000 0.799 71 A HN 0.391 nan 8.150 nan 0.000 0.466 72 Q N -1.416 118.389 119.800 0.009 0.000 2.398 72 Q HA 0.132 4.472 4.340 0.000 0.000 0.204 72 Q C 1.894 177.892 176.000 -0.003 0.000 0.932 72 Q CA 0.644 56.449 55.803 0.003 0.000 0.916 72 Q CB 0.002 28.745 28.738 0.008 0.000 1.024 72 Q HN 0.831 nan 8.270 nan 0.000 0.504 73 M N -0.751 118.849 119.600 -0.001 0.000 2.142 73 M HA -0.085 4.395 4.480 0.000 0.000 0.256 73 M C 2.225 178.516 176.300 -0.015 0.000 1.098 73 M CA 0.944 56.240 55.300 -0.007 0.000 1.151 73 M CB -0.755 31.844 32.600 -0.001 0.000 1.299 73 M HN 0.037 nan 8.290 nan 0.000 0.431 74 V N 1.082 120.992 119.914 -0.008 0.000 2.370 74 V HA -0.334 3.786 4.120 0.000 0.000 0.252 74 V C 2.189 178.271 176.094 -0.020 0.000 1.068 74 V CA 2.500 64.794 62.300 -0.009 0.000 1.061 74 V CB -0.697 31.125 31.823 -0.000 0.000 0.656 74 V HN 0.551 nan 8.190 nan 0.000 0.455 75 K N -0.677 119.712 120.400 -0.018 0.000 2.057 75 K HA -0.210 4.110 4.320 0.000 0.000 0.207 75 K C 2.325 178.901 176.600 -0.039 0.000 1.049 75 K CA 1.784 58.056 56.287 -0.024 0.000 0.931 75 K CB -0.288 32.202 32.500 -0.017 0.000 0.714 75 K HN 0.570 nan 8.250 nan 0.000 0.440 76 E N 0.427 120.601 120.200 -0.042 0.000 2.208 76 E HA -0.118 4.232 4.350 0.000 0.000 0.193 76 E C 1.855 178.395 176.600 -0.101 0.000 0.988 76 E CA 0.596 56.961 56.400 -0.059 0.000 0.828 76 E CB 0.162 29.836 29.700 -0.045 0.000 0.763 76 E HN 0.185 nan 8.360 nan 0.000 0.478 77 V N 0.445 120.295 119.914 -0.107 0.000 2.379 77 V HA -0.084 4.036 4.120 0.000 0.000 0.243 77 V C 2.279 178.227 176.094 -0.244 0.000 1.035 77 V CA 1.581 63.766 62.300 -0.192 0.000 1.035 77 V CB -0.252 31.501 31.823 -0.117 0.000 0.673 77 V HN 0.282 nan 8.190 nan 0.000 0.457 78 A N 0.559 123.309 122.820 -0.116 0.000 1.917 78 A HA -0.266 4.054 4.320 0.000 0.000 0.219 78 A C 2.517 180.040 177.584 -0.101 0.000 1.182 78 A CA 2.695 54.689 52.037 -0.072 0.000 0.633 78 A CB -1.158 17.827 19.000 -0.026 0.000 0.819 78 A HN 0.904 nan 8.150 nan 0.000 0.448 79 S N -0.208 115.429 115.700 -0.105 0.000 2.462 79 S HA -0.231 4.239 4.470 0.000 0.000 0.243 79 S C 1.693 176.219 174.600 -0.123 0.000 1.003 79 S CA 1.720 59.866 58.200 -0.091 0.000 0.970 79 S CB -0.414 62.740 63.200 -0.077 0.000 0.762 79 S HN 0.662 nan 8.310 nan 0.000 0.510 80 K N 1.151 121.404 120.400 -0.246 0.000 2.116 80 K HA 0.210 4.530 4.320 0.000 0.000 0.203 80 K C 2.619 179.155 176.600 -0.107 0.000 1.052 80 K CA 0.883 56.977 56.287 -0.322 0.000 0.952 80 K CB -0.495 31.506 32.500 -0.831 0.000 0.729 80 K HN 0.470 nan 8.250 nan 0.000 0.446 81 A N 1.923 124.735 122.820 -0.013 0.000 1.883 81 A HA -0.275 4.045 4.320 0.000 0.000 0.217 81 A C 1.929 179.573 177.584 0.101 0.000 1.186 81 A CA 2.140 54.309 52.037 0.219 0.000 0.624 81 A CB -0.822 18.300 19.000 0.203 0.000 0.822 81 A HN 0.309 nan 8.150 nan 0.000 0.444 82 N N -0.029 118.688 118.700 0.028 0.000 2.104 82 N HA -0.155 4.585 4.740 0.000 0.000 0.190 82 N C 1.234 176.741 175.510 -0.005 0.000 1.024 82 N CA 1.665 54.712 53.050 -0.006 0.000 0.853 82 N CB -0.208 38.260 38.487 -0.032 0.000 1.008 82 N HN 0.431 nan 8.380 nan 0.000 0.424 83 D N -0.533 119.870 120.400 0.005 0.000 2.178 83 D HA -0.106 4.534 4.640 0.000 0.000 0.201 83 D C 1.542 177.876 176.300 0.058 0.000 0.980 83 D CA 1.148 55.158 54.000 0.016 0.000 0.842 83 D CB -0.137 40.661 40.800 -0.002 0.000 0.948 83 D HN 0.431 nan 8.370 nan 0.000 0.472 84 A N 0.915 123.790 122.820 0.091 0.000 1.864 84 A HA 0.318 4.638 4.320 0.000 0.000 0.213 84 A C 2.136 179.778 177.584 0.098 0.000 1.266 84 A CA 1.317 53.417 52.037 0.105 0.000 0.612 84 A CB -0.767 18.320 19.000 0.146 0.000 0.940 84 A HN 0.194 nan 8.150 nan 0.000 0.463 85 A N -1.665 121.209 122.820 0.089 0.000 1.861 85 A HA 0.391 4.711 4.320 0.000 0.000 0.214 85 A C 1.840 179.475 177.584 0.086 0.000 1.322 85 A CA 2.251 54.336 52.037 0.079 0.000 0.601 85 A CB -0.904 18.131 19.000 0.059 0.000 0.966 85 A HN 1.663 nan 8.150 nan 0.000 0.471 86 G N -2.331 106.479 108.800 0.016 0.000 4.362 86 G HA2 0.322 4.282 3.960 0.000 0.000 0.220 86 G HA3 0.322 4.282 3.960 0.000 0.000 0.220 86 G C -0.370 174.484 174.900 -0.077 0.000 0.795 86 G CA 0.757 45.804 45.100 -0.088 0.000 0.920 86 G HN 0.786 nan 8.290 nan 0.000 0.715 87 D N -2.815 117.572 120.400 -0.022 0.000 2.970 87 D HA 0.517 5.157 4.640 0.000 0.000 0.344 87 D C 1.214 177.520 176.300 0.010 0.000 1.365 87 D CA 1.098 55.090 54.000 -0.014 0.000 0.910 87 D CB 0.283 41.078 40.800 -0.008 0.000 1.445 87 D HN 1.189 nan 8.370 nan 0.000 0.532 88 G N -1.004 107.803 108.800 0.012 0.000 2.308 88 G HA2 -0.338 3.622 3.960 0.000 0.000 0.221 88 G HA3 -0.338 3.622 3.960 0.000 0.000 0.221 88 G C 1.401 176.317 174.900 0.026 0.000 1.032 88 G CA 1.189 46.304 45.100 0.025 0.000 0.623 88 G HN 1.277 nan 8.290 nan 0.000 0.506 89 T N -0.659 113.906 114.554 0.018 0.000 2.653 89 T HA -0.249 4.101 4.350 0.000 0.000 0.267 89 T C 2.223 176.927 174.700 0.007 0.000 1.037 89 T CA 3.224 65.329 62.100 0.009 0.000 1.159 89 T CB -1.247 67.616 68.868 -0.008 0.000 0.859 89 T HN 0.705 nan 8.240 nan 0.000 0.449 90 T N 1.472 116.027 114.554 0.003 0.000 2.788 90 T HA -0.074 4.276 4.350 0.000 0.000 0.268 90 T C 2.245 176.949 174.700 0.006 0.000 1.044 90 T CA 1.832 63.933 62.100 0.001 0.000 1.139 90 T CB -0.860 68.007 68.868 -0.001 0.000 0.867 90 T HN 0.656 nan 8.240 nan 0.000 0.454 91 T N 2.084 116.645 114.554 0.011 0.000 2.770 91 T HA 0.092 4.442 4.350 0.000 0.000 0.263 91 T C 2.497 177.210 174.700 0.021 0.000 1.039 91 T CA 0.928 63.037 62.100 0.014 0.000 1.142 91 T CB -0.697 68.181 68.868 0.017 0.000 0.868 91 T HN 0.409 nan 8.240 nan 0.000 0.435 92 A N 2.043 124.883 122.820 0.033 0.000 1.869 92 A HA -0.234 4.086 4.320 0.000 0.000 0.218 92 A C 2.567 180.169 177.584 0.030 0.000 1.203 92 A CA 2.589 54.654 52.037 0.046 0.000 0.638 92 A CB -1.681 17.358 19.000 0.065 0.000 0.831 92 A HN 0.478 nan 8.150 nan 0.000 0.450 93 T N -0.767 113.798 114.554 0.018 0.000 2.653 93 T HA -0.201 4.149 4.350 0.000 0.000 0.268 93 T C 1.821 176.527 174.700 0.009 0.000 1.035 93 T CA 1.871 63.977 62.100 0.010 0.000 1.154 93 T CB -0.727 68.142 68.868 0.003 0.000 0.862 93 T HN 0.422 nan 8.240 nan 0.000 0.441 94 V N 0.490 120.409 119.914 0.008 0.000 2.809 94 V HA 0.030 4.151 4.120 0.000 0.000 0.256 94 V C 2.028 178.126 176.094 0.007 0.000 1.080 94 V CA 1.205 63.508 62.300 0.005 0.000 1.102 94 V CB -0.493 31.331 31.823 0.001 0.000 0.705 94 V HN 0.476 nan 8.190 nan 0.000 0.475 95 L N 0.032 121.262 121.223 0.013 0.000 2.007 95 L HA 0.044 4.384 4.340 0.000 0.000 0.205 95 L C 2.879 179.758 176.870 0.015 0.000 1.073 95 L CA 1.506 56.354 54.840 0.014 0.000 0.744 95 L CB -0.933 41.139 42.059 0.021 0.000 0.898 95 L HN 0.389 nan 8.230 nan 0.000 0.435 96 A N -0.447 122.385 122.820 0.020 0.000 1.869 96 A HA -0.366 3.954 4.320 0.000 0.000 0.218 96 A C 2.219 179.810 177.584 0.012 0.000 1.203 96 A CA 2.330 54.379 52.037 0.019 0.000 0.638 96 A CB -0.968 18.044 19.000 0.020 0.000 0.831 96 A HN 0.524 nan 8.150 nan 0.000 0.450 97 Q N -0.757 119.049 119.800 0.009 0.000 2.118 97 Q HA -0.293 4.047 4.340 0.000 0.000 0.211 97 Q C 2.291 178.294 176.000 0.005 0.000 0.998 97 Q CA 2.420 58.227 55.803 0.006 0.000 0.872 97 Q CB -0.419 28.321 28.738 0.004 0.000 0.925 97 Q HN 0.657 nan 8.270 nan 0.000 0.414 98 A N 0.495 123.317 122.820 0.005 0.000 1.908 98 A HA -0.190 4.130 4.320 0.000 0.000 0.218 98 A C 1.988 179.575 177.584 0.004 0.000 1.181 98 A CA 1.641 53.680 52.037 0.003 0.000 0.627 98 A CB -0.654 18.347 19.000 0.003 0.000 0.818 98 A HN 0.476 nan 8.150 nan 0.000 0.445 99 I N -0.322 120.252 120.570 0.007 0.000 2.110 99 I HA -0.224 3.946 4.170 0.000 0.000 0.236 99 I C 2.318 178.439 176.117 0.006 0.000 1.068 99 I CA 1.360 62.664 61.300 0.007 0.000 1.333 99 I CB -0.558 37.448 38.000 0.010 0.000 1.054 99 I HN 0.260 nan 8.210 nan 0.000 0.402 100 I N 0.926 121.500 120.570 0.006 0.000 2.145 100 I HA -0.335 3.835 4.170 0.000 0.000 0.244 100 I C 2.604 178.723 176.117 0.003 0.000 1.075 100 I CA 1.937 63.240 61.300 0.005 0.000 1.332 100 I CB -1.035 36.968 38.000 0.005 0.000 1.033 100 I HN 0.335 nan 8.210 nan 0.000 0.410 101 T N -0.082 114.474 114.554 0.003 0.000 2.720 101 T HA -0.161 4.189 4.350 0.000 0.000 0.268 101 T C 1.785 176.486 174.700 0.002 0.000 1.037 101 T CA 1.274 63.375 62.100 0.002 0.000 1.144 101 T CB -0.153 68.716 68.868 0.002 0.000 0.864 101 T HN 0.316 nan 8.240 nan 0.000 0.444 102 E N 0.298 120.499 120.200 0.002 0.000 2.318 102 E HA 0.141 4.491 4.350 0.000 0.000 0.193 102 E C 2.402 179.003 176.600 0.002 0.000 0.998 102 E CA 0.426 56.827 56.400 0.002 0.000 0.859 102 E CB -0.429 29.272 29.700 0.001 0.000 0.812 102 E HN 0.534 nan 8.360 nan 0.000 0.492 103 G N 1.718 110.520 108.800 0.002 0.000 2.505 103 G HA2 -0.209 3.751 3.960 0.000 0.000 0.214 103 G HA3 -0.209 3.751 3.960 0.000 0.000 0.214 103 G C 1.624 176.525 174.900 0.001 0.000 1.237 103 G CA 0.442 45.543 45.100 0.002 0.000 0.802 103 G HN 0.185 nan 8.290 nan 0.000 0.549 104 L N 0.338 121.562 121.223 0.001 0.000 2.261 104 L HA -0.074 4.266 4.340 0.000 0.000 0.216 104 L C 2.730 179.600 176.870 0.001 0.000 1.114 104 L CA 1.245 56.085 54.840 0.000 0.000 0.777 104 L CB -0.352 41.707 42.059 -0.001 0.000 0.910 104 L HN 0.247 nan 8.230 nan 0.000 0.440 105 K N 0.201 120.602 120.400 0.001 0.000 2.288 105 K HA -0.079 4.241 4.320 0.000 0.000 0.201 105 K C 2.059 178.659 176.600 0.001 0.000 1.048 105 K CA 0.908 57.195 56.287 0.001 0.000 0.956 105 K CB 0.120 32.621 32.500 0.001 0.000 0.746 105 K HN 0.302 nan 8.250 nan 0.000 0.461 106 A N 0.138 122.959 122.820 0.001 0.000 1.862 106 A HA -0.011 4.309 4.320 0.000 0.000 0.211 106 A C 2.085 179.669 177.584 0.000 0.000 1.220 106 A CA 0.691 52.729 52.037 0.000 0.000 0.616 106 A CB -0.593 18.407 19.000 0.000 0.000 0.878 106 A HN 0.062 nan 8.150 nan 0.000 0.453 107 V N 0.529 120.443 119.914 -0.000 0.000 2.233 107 V HA -0.360 3.760 4.120 0.000 0.000 0.252 107 V C 2.966 179.060 176.094 -0.000 0.000 1.063 107 V CA 2.365 64.665 62.300 -0.001 0.000 1.032 107 V CB -1.299 30.523 31.823 -0.001 0.000 0.645 107 V HN 0.604 nan 8.190 nan 0.000 0.446 108 A N -0.659 122.162 122.820 0.001 0.000 2.225 108 A HA 0.098 4.418 4.320 0.000 0.000 0.215 108 A C 2.133 179.718 177.584 0.002 0.000 1.164 108 A CA 1.571 53.609 52.037 0.002 0.000 0.710 108 A CB -0.527 18.475 19.000 0.003 0.000 0.780 108 A HN 0.654 nan 8.150 nan 0.000 0.473 109 A N -2.110 120.711 122.820 0.001 0.000 2.218 109 A HA 0.444 4.764 4.320 0.000 0.000 0.209 109 A C 1.621 179.205 177.584 0.000 0.000 1.168 109 A CA 1.198 53.235 52.037 0.001 0.000 0.804 109 A CB -0.351 18.650 19.000 0.001 0.000 0.834 109 A HN 1.672 nan 8.150 nan 0.000 0.482 110 G N -1.997 106.803 108.800 -0.000 0.000 2.205 110 G HA2 -0.138 3.822 3.960 0.000 0.000 0.180 110 G HA3 -0.138 3.822 3.960 0.000 0.000 0.180 110 G C 0.082 174.981 174.900 -0.002 0.000 1.004 110 G CA 0.018 45.117 45.100 -0.001 0.000 0.670 110 G HN 0.281 nan 8.290 nan 0.000 0.496 111 M N 0.861 120.460 119.600 -0.002 0.000 2.359 111 M HA 0.362 4.842 4.480 0.000 0.000 0.322 111 M C 0.541 176.840 176.300 -0.003 0.000 1.166 111 M CA -0.763 54.535 55.300 -0.002 0.000 1.067 111 M CB 0.794 33.393 32.600 -0.001 0.000 1.523 111 M HN 0.153 nan 8.290 nan 0.000 0.467 112 N N 1.814 120.511 118.700 -0.004 0.000 2.497 112 N HA 0.120 4.860 4.740 0.000 0.000 0.268 112 N C -2.271 173.237 175.510 -0.004 0.000 1.171 112 N CA -1.253 51.794 53.050 -0.005 0.000 0.948 112 N CB 1.323 39.807 38.487 -0.005 0.000 1.069 112 N HN 0.255 nan 8.380 nan 0.000 0.460 113 P HA -0.039 nan 4.420 nan 0.000 0.214 113 P C 1.739 179.037 177.300 -0.003 0.000 1.162 113 P CA 1.134 64.232 63.100 -0.004 0.000 0.874 113 P CB 0.184 31.881 31.700 -0.005 0.000 0.784 114 M N -0.499 119.098 119.600 -0.005 0.000 2.260 114 M HA -0.161 4.319 4.480 0.000 0.000 0.261 114 M C 1.175 177.473 176.300 -0.003 0.000 1.066 114 M CA 1.660 56.958 55.300 -0.004 0.000 1.082 114 M CB -1.491 31.106 32.600 -0.006 0.000 1.388 114 M HN 0.004 nan 8.290 nan 0.000 0.419 115 D N -0.126 120.273 120.400 -0.003 0.000 2.149 115 D HA 0.025 4.665 4.640 0.000 0.000 0.206 115 D C 2.240 178.539 176.300 -0.001 0.000 0.967 115 D CA 0.716 54.714 54.000 -0.002 0.000 0.848 115 D CB -0.181 40.617 40.800 -0.002 0.000 0.998 115 D HN 0.301 nan 8.370 nan 0.000 0.474 116 L N 1.034 122.257 121.223 -0.001 0.000 2.137 116 L HA -0.220 4.120 4.340 0.000 0.000 0.213 116 L C 2.470 179.341 176.870 0.001 0.000 1.085 116 L CA 1.218 56.058 54.840 0.000 0.000 0.760 116 L CB -0.364 41.694 42.059 0.000 0.000 0.893 116 L HN 0.041 nan 8.230 nan 0.000 0.434 117 K N 0.310 120.711 120.400 0.001 0.000 2.097 117 K HA -0.204 4.116 4.320 0.000 0.000 0.205 117 K C 2.307 178.908 176.600 0.002 0.000 1.050 117 K CA 1.134 57.422 56.287 0.003 0.000 0.938 117 K CB 0.056 32.558 32.500 0.003 0.000 0.718 117 K HN 0.121 nan 8.250 nan 0.000 0.442 118 R N -0.179 120.322 120.500 0.001 0.000 2.057 118 R HA -0.056 4.284 4.340 0.000 0.000 0.229 118 R C 2.385 178.685 176.300 0.000 0.000 1.136 118 R CA 1.628 57.728 56.100 0.000 0.000 0.952 118 R CB -0.701 29.598 30.300 -0.001 0.000 0.848 118 R HN 0.388 nan 8.270 nan 0.000 0.430 119 G N 1.152 109.952 108.800 0.000 0.000 2.547 119 G HA2 -0.309 3.651 3.960 0.000 0.000 0.221 119 G HA3 -0.309 3.651 3.960 0.000 0.000 0.221 119 G C 1.441 176.341 174.900 0.001 0.000 1.140 119 G CA 1.286 46.386 45.100 0.000 0.000 0.760 119 G HN 0.301 nan 8.290 nan 0.000 0.583 120 I N 0.574 121.145 120.570 0.001 0.000 2.202 120 I HA -0.117 4.053 4.170 0.000 0.000 0.242 120 I C 2.247 178.364 176.117 0.001 0.000 1.091 120 I CA 1.270 62.571 61.300 0.002 0.000 1.368 120 I CB -0.174 37.828 38.000 0.004 0.000 1.058 120 I HN 0.085 nan 8.210 nan 0.000 0.410 121 D N 0.562 120.963 120.400 0.001 0.000 2.219 121 D HA -0.184 4.456 4.640 0.000 0.000 0.205 121 D C 2.012 178.310 176.300 -0.003 0.000 0.970 121 D CA 1.002 55.001 54.000 -0.001 0.000 0.851 121 D CB 0.001 40.802 40.800 0.000 0.000 0.943 121 D HN 0.332 nan 8.370 nan 0.000 0.488 122 K N 0.858 121.256 120.400 -0.002 0.000 1.991 122 K HA -0.037 4.283 4.320 0.000 0.000 0.207 122 K C 2.134 178.733 176.600 -0.003 0.000 1.045 122 K CA 0.991 57.277 56.287 -0.003 0.000 0.937 122 K CB -0.049 32.450 32.500 -0.002 0.000 0.720 122 K HN -0.069 nan 8.250 nan 0.000 0.438 123 A N 0.823 123.642 122.820 -0.002 0.000 2.009 123 A HA -0.184 4.136 4.320 0.000 0.000 0.222 123 A C 2.199 179.782 177.584 -0.003 0.000 1.175 123 A CA 2.005 54.042 52.037 -0.001 0.000 0.651 123 A CB -0.752 18.248 19.000 0.000 0.000 0.815 123 A HN 0.226 nan 8.150 nan 0.000 0.459 124 V N -0.861 119.050 119.914 -0.004 0.000 2.256 124 V HA -0.177 3.943 4.120 0.000 0.000 0.240 124 V C 2.663 178.750 176.094 -0.012 0.000 1.036 124 V CA 2.311 64.606 62.300 -0.008 0.000 1.008 124 V CB -1.247 30.570 31.823 -0.010 0.000 0.648 124 V HN 0.603 nan 8.190 nan 0.000 0.453 125 T N 0.681 115.228 114.554 -0.012 0.000 2.792 125 T HA -0.265 4.085 4.350 0.000 0.000 0.268 125 T C 1.838 176.532 174.700 -0.010 0.000 1.059 125 T CA 1.721 63.813 62.100 -0.014 0.000 1.136 125 T CB -0.413 68.449 68.868 -0.011 0.000 0.846 125 T HN 0.569 nan 8.240 nan 0.000 0.489 126 A N 1.343 124.159 122.820 -0.007 0.000 1.843 126 A HA 0.430 4.750 4.320 0.000 0.000 0.213 126 A C 2.699 180.280 177.584 -0.004 0.000 1.202 126 A CA 1.279 53.313 52.037 -0.005 0.000 0.607 126 A CB -1.207 17.792 19.000 -0.002 0.000 0.847 126 A HN 0.485 nan 8.150 nan 0.000 0.445 127 A N -0.340 122.477 122.820 -0.004 0.000 2.024 127 A HA -0.011 4.309 4.320 0.000 0.000 0.220 127 A C 2.097 179.677 177.584 -0.006 0.000 1.164 127 A CA 1.776 53.812 52.037 -0.003 0.000 0.643 127 A CB -0.885 18.114 19.000 -0.002 0.000 0.806 127 A HN 0.429 nan 8.150 nan 0.000 0.451 128 V N -0.253 119.654 119.914 -0.011 0.000 2.594 128 V HA -0.245 3.875 4.120 0.000 0.000 0.253 128 V C 2.269 178.356 176.094 -0.012 0.000 1.069 128 V CA 2.248 64.538 62.300 -0.016 0.000 1.082 128 V CB -0.731 31.076 31.823 -0.025 0.000 0.680 128 V HN 0.658 nan 8.190 nan 0.000 0.469 129 E N -0.206 119.989 120.200 -0.008 0.000 2.075 129 E HA -0.145 4.205 4.350 0.000 0.000 0.190 129 E C 2.180 178.780 176.600 -0.001 0.000 0.969 129 E CA 0.608 57.005 56.400 -0.005 0.000 0.815 129 E CB -0.112 29.585 29.700 -0.004 0.000 0.776 129 E HN 0.435 nan 8.360 nan 0.000 0.457 130 E N 0.973 121.173 120.200 0.000 0.000 2.284 130 E HA -0.203 4.147 4.350 0.000 0.000 0.200 130 E C 1.711 178.314 176.600 0.005 0.000 1.008 130 E CA 0.578 56.980 56.400 0.004 0.000 0.829 130 E CB -0.042 29.661 29.700 0.004 0.000 0.744 130 E HN 0.124 nan 8.360 nan 0.000 0.491 131 L N 0.214 121.438 121.223 0.003 0.000 2.162 131 L HA 0.023 4.363 4.340 0.000 0.000 0.205 131 L C 1.666 178.538 176.870 0.004 0.000 1.086 131 L CA 1.316 56.158 54.840 0.004 0.000 0.778 131 L CB -0.014 42.044 42.059 -0.000 0.000 0.928 131 L HN -0.079 nan 8.230 nan 0.000 0.446 132 K N -0.399 120.001 120.400 0.001 0.000 2.574 132 K HA -0.020 4.300 4.320 0.000 0.000 0.193 132 K C 1.761 178.363 176.600 0.004 0.000 1.035 132 K CA 0.561 56.848 56.287 0.001 0.000 0.982 132 K CB -0.056 32.443 32.500 -0.002 0.000 0.795 132 K HN 0.443 nan 8.250 nan 0.000 0.491 133 A N 1.424 124.247 122.820 0.006 0.000 1.835 133 A HA -0.068 4.252 4.320 0.000 0.000 0.213 133 A C 1.987 179.577 177.584 0.010 0.000 1.210 133 A CA 0.694 52.736 52.037 0.008 0.000 0.605 133 A CB -0.468 18.537 19.000 0.009 0.000 0.860 133 A HN 0.107 nan 8.150 nan 0.000 0.447 134 L N 0.436 121.667 121.223 0.013 0.000 2.081 134 L HA -0.121 4.220 4.340 0.000 0.000 0.212 134 L C 1.561 178.440 176.870 0.015 0.000 1.080 134 L CA 1.210 56.060 54.840 0.017 0.000 0.754 134 L CB -1.271 40.801 42.059 0.020 0.000 0.893 134 L HN 0.434 nan 8.230 nan 0.000 0.433 135 S N 0.436 116.143 115.700 0.012 0.000 3.225 135 S HA -0.015 4.455 4.470 0.000 0.000 0.378 135 S C -0.139 174.467 174.600 0.011 0.000 1.190 135 S CA -0.277 57.930 58.200 0.011 0.000 1.104 135 S CB -0.132 63.072 63.200 0.007 0.000 0.795 135 S HN 0.079 nan 8.310 nan 0.000 0.517 136 V N 9.683 129.605 119.914 0.012 0.000 2.328 136 V HA 0.327 4.447 4.120 0.000 0.000 0.278 136 V C -1.682 174.418 176.094 0.010 0.000 1.021 136 V CA -1.762 60.545 62.300 0.012 0.000 0.838 136 V CB 0.928 32.760 31.823 0.014 0.000 0.999 136 V HN 0.761 nan 8.190 nan 0.000 0.447 137 P HA -0.099 nan 4.420 nan 0.000 0.275 137 P C -0.182 177.122 177.300 0.007 0.000 1.227 137 P CA 0.129 63.233 63.100 0.007 0.000 0.808 137 P CB 0.310 32.014 31.700 0.006 0.000 0.858 138 C N 1.035 120.338 119.300 0.006 0.000 3.079 138 C HA 0.298 4.758 4.460 0.000 0.000 0.246 138 C C 1.194 176.186 174.990 0.004 0.000 1.025 138 C CA 0.022 59.044 59.018 0.006 0.000 1.081 138 C CB -1.361 26.383 27.740 0.007 0.000 1.757 138 C HN 0.551 nan 8.230 nan 0.000 0.646 139 S N 0.611 116.313 115.700 0.003 0.000 2.527 139 S HA 0.082 4.552 4.470 0.000 0.000 0.227 139 S C 0.372 174.972 174.600 0.001 0.000 1.059 139 S CA 0.184 58.385 58.200 0.002 0.000 0.919 139 S CB 0.042 63.243 63.200 0.002 0.000 0.805 139 S HN 0.921 nan 8.310 nan 0.000 0.500 140 D N 2.319 122.720 120.400 0.002 0.000 2.348 140 D HA 0.082 4.722 4.640 0.000 0.000 0.253 140 D C 0.684 176.985 176.300 0.001 0.000 1.161 140 D CA 0.006 54.007 54.000 0.001 0.000 0.876 140 D CB 1.124 41.925 40.800 0.002 0.000 1.160 140 D HN 0.163 nan 8.370 nan 0.000 0.459 141 S N 1.667 117.368 115.700 0.000 0.000 2.559 141 S HA -0.243 4.227 4.470 0.000 0.000 0.250 141 S C 1.350 175.950 174.600 0.001 0.000 0.977 141 S CA 0.711 58.911 58.200 -0.000 0.000 0.958 141 S CB -0.301 62.899 63.200 -0.001 0.000 0.751 141 S HN 0.659 nan 8.310 nan 0.000 0.534 142 K N 1.342 121.743 120.400 0.002 0.000 2.141 142 K HA 0.255 4.575 4.320 0.000 0.000 0.202 142 K C 2.237 178.839 176.600 0.003 0.000 1.045 142 K CA 0.744 57.032 56.287 0.002 0.000 0.971 142 K CB -0.434 32.067 32.500 0.003 0.000 0.795 142 K HN 0.354 nan 8.250 nan 0.000 0.459 143 A N 1.324 124.146 122.820 0.004 0.000 2.014 143 A HA -0.006 4.314 4.320 0.000 0.000 0.218 143 A C 1.976 179.563 177.584 0.005 0.000 1.163 143 A CA 0.747 52.787 52.037 0.005 0.000 0.652 143 A CB -0.427 18.576 19.000 0.006 0.000 0.808 143 A HN 0.323 nan 8.150 nan 0.000 0.449 144 I N -0.348 120.224 120.570 0.004 0.000 2.226 144 I HA -0.283 3.887 4.170 0.000 0.000 0.245 144 I C 2.962 179.082 176.117 0.004 0.000 1.100 144 I CA 0.983 62.285 61.300 0.004 0.000 1.374 144 I CB -0.276 37.725 38.000 0.001 0.000 1.057 144 I HN 0.386 nan 8.210 nan 0.000 0.413 145 A N 0.356 123.179 122.820 0.004 0.000 1.877 145 A HA -0.278 4.042 4.320 0.000 0.000 0.216 145 A C 2.203 179.790 177.584 0.005 0.000 1.186 145 A CA 1.635 53.674 52.037 0.004 0.000 0.620 145 A CB -0.721 18.281 19.000 0.003 0.000 0.822 145 A HN 0.467 nan 8.150 nan 0.000 0.443 146 Q N -0.516 119.287 119.800 0.006 0.000 2.152 146 Q HA -0.145 4.195 4.340 0.000 0.000 0.206 146 Q C 2.124 178.129 176.000 0.008 0.000 0.985 146 Q CA 1.663 57.470 55.803 0.007 0.000 0.863 146 Q CB -0.469 28.273 28.738 0.007 0.000 0.904 146 Q HN 0.514 nan 8.270 nan 0.000 0.422 147 V N 0.349 120.268 119.914 0.009 0.000 2.221 147 V HA -0.190 3.930 4.120 0.000 0.000 0.242 147 V C 2.294 178.395 176.094 0.013 0.000 1.041 147 V CA 2.073 64.380 62.300 0.011 0.000 0.995 147 V CB -1.284 30.547 31.823 0.012 0.000 0.635 147 V HN 0.553 nan 8.190 nan 0.000 0.448 148 G N -0.703 108.104 108.800 0.012 0.000 2.507 148 G HA2 -0.300 3.660 3.960 0.000 0.000 0.221 148 G HA3 -0.300 3.660 3.960 0.000 0.000 0.221 148 G C 1.646 176.553 174.900 0.011 0.000 1.119 148 G CA 1.779 46.886 45.100 0.013 0.000 0.751 148 G HN 0.485 nan 8.290 nan 0.000 0.574 149 T N 0.952 115.511 114.554 0.009 0.000 2.867 149 T HA 0.020 4.370 4.350 0.000 0.000 0.268 149 T C 2.294 176.998 174.700 0.008 0.000 1.057 149 T CA 0.832 62.936 62.100 0.007 0.000 1.136 149 T CB -0.086 68.785 68.868 0.006 0.000 0.874 149 T HN 0.326 nan 8.240 nan 0.000 0.466 150 I N 0.631 121.206 120.570 0.009 0.000 2.876 150 I HA 0.009 4.179 4.170 0.000 0.000 0.264 150 I C 2.125 178.248 176.117 0.010 0.000 1.204 150 I CA 0.519 61.824 61.300 0.008 0.000 1.485 150 I CB -0.070 37.935 38.000 0.009 0.000 1.103 150 I HN 0.105 nan 8.210 nan 0.000 0.446 151 S N 0.851 116.559 115.700 0.013 0.000 2.527 151 S HA 0.144 4.614 4.470 0.000 0.000 0.222 151 S C 1.675 176.284 174.600 0.015 0.000 0.985 151 S CA 0.734 58.943 58.200 0.016 0.000 0.921 151 S CB 0.137 63.351 63.200 0.024 0.000 0.772 151 S HN 0.479 nan 8.310 nan 0.000 0.529 152 A N 1.348 124.176 122.820 0.012 0.000 2.500 152 A HA 0.443 4.763 4.320 0.000 0.000 0.267 152 A C 0.559 178.147 177.584 0.007 0.000 1.290 152 A CA -0.373 51.671 52.037 0.011 0.000 0.928 152 A CB -0.409 18.597 19.000 0.010 0.000 1.066 152 A HN 0.368 nan 8.150 nan 0.000 0.516 153 N N -0.223 118.481 118.700 0.006 0.000 2.746 153 N HA -0.209 4.531 4.740 0.000 0.000 0.250 153 N C 0.213 175.725 175.510 0.003 0.000 1.055 153 N CA 1.037 54.089 53.050 0.004 0.000 0.699 153 N CB -1.863 36.626 38.487 0.003 0.000 0.919 153 N HN 0.514 nan 8.380 nan 0.000 0.548 154 S N -1.532 114.170 115.700 0.003 0.000 3.490 154 S HA -0.235 4.235 4.470 0.000 0.000 0.301 154 S C -0.341 174.261 174.600 0.003 0.000 1.233 154 S CA 0.851 59.053 58.200 0.002 0.000 0.914 154 S CB -1.025 62.176 63.200 0.000 0.000 1.047 154 S HN 0.771 nan 8.310 nan 0.000 0.602 155 D N 1.368 121.770 120.400 0.004 0.000 2.441 155 D HA 0.213 4.853 4.640 0.000 0.000 0.221 155 D C 1.138 177.440 176.300 0.004 0.000 1.156 155 D CA -0.251 53.751 54.000 0.003 0.000 0.896 155 D CB 0.486 41.288 40.800 0.004 0.000 1.028 155 D HN 0.477 nan 8.370 nan 0.000 0.509 156 E N 1.358 121.560 120.200 0.003 0.000 2.130 156 E HA -0.184 4.166 4.350 0.000 0.000 0.196 156 E C 1.530 178.131 176.600 0.003 0.000 0.998 156 E CA 1.311 57.713 56.400 0.003 0.000 0.806 156 E CB 0.141 29.843 29.700 0.002 0.000 0.738 156 E HN 0.501 nan 8.360 nan 0.000 0.459 157 T N 1.048 115.603 114.554 0.003 0.000 2.699 157 T HA -0.183 4.167 4.350 0.000 0.000 0.268 157 T C 2.103 176.805 174.700 0.003 0.000 1.036 157 T CA 1.490 63.591 62.100 0.002 0.000 1.147 157 T CB -0.333 68.536 68.868 0.002 0.000 0.862 157 T HN 0.001 nan 8.240 nan 0.000 0.446 158 V N 1.491 121.407 119.914 0.004 0.000 2.216 158 V HA -0.103 4.017 4.120 0.000 0.000 0.243 158 V C 2.928 179.025 176.094 0.004 0.000 1.044 158 V CA 2.009 64.312 62.300 0.005 0.000 0.995 158 V CB -1.640 30.187 31.823 0.007 0.000 0.633 158 V HN 0.579 nan 8.190 nan 0.000 0.446 159 G N 0.020 108.823 108.800 0.005 0.000 2.679 159 G HA2 -0.449 3.511 3.960 0.000 0.000 0.222 159 G HA3 -0.449 3.511 3.960 0.000 0.000 0.222 159 G C 1.633 176.535 174.900 0.002 0.000 1.164 159 G CA 1.798 46.901 45.100 0.004 0.000 0.769 159 G HN 0.542 nan 8.290 nan 0.000 0.610 160 K N 0.070 120.471 120.400 0.002 0.000 2.002 160 K HA 0.017 4.337 4.320 0.000 0.000 0.209 160 K C 2.640 179.239 176.600 -0.001 0.000 1.048 160 K CA 1.201 57.488 56.287 0.000 0.000 0.930 160 K CB -0.384 32.117 32.500 0.000 0.000 0.714 160 K HN 0.350 nan 8.250 nan 0.000 0.438 161 L N 1.128 122.351 121.223 -0.000 0.000 2.034 161 L HA -0.291 4.049 4.340 0.000 0.000 0.217 161 L C 2.499 179.367 176.870 -0.003 0.000 1.077 161 L CA 1.621 56.460 54.840 -0.002 0.000 0.769 161 L CB -0.408 41.651 42.059 -0.001 0.000 0.890 161 L HN 0.332 nan 8.230 nan 0.000 0.435 162 I N -0.800 119.769 120.570 -0.003 0.000 2.090 162 I HA -0.331 3.839 4.170 0.000 0.000 0.236 162 I C 2.808 178.922 176.117 -0.006 0.000 1.064 162 I CA 1.289 62.586 61.300 -0.005 0.000 1.324 162 I CB -0.657 37.342 38.000 -0.002 0.000 1.044 162 I HN 0.251 nan 8.210 nan 0.000 0.399 163 A N 0.599 123.417 122.820 -0.004 0.000 1.915 163 A HA -0.301 4.019 4.320 0.000 0.000 0.220 163 A C 2.178 179.759 177.584 -0.005 0.000 1.198 163 A CA 2.286 54.321 52.037 -0.004 0.000 0.647 163 A CB -0.887 18.112 19.000 -0.002 0.000 0.825 163 A HN 0.548 nan 8.150 nan 0.000 0.456 164 E N -0.622 119.575 120.200 -0.004 0.000 2.153 164 E HA -0.100 4.250 4.350 0.000 0.000 0.194 164 E C 2.306 178.902 176.600 -0.007 0.000 0.988 164 E CA 0.846 57.243 56.400 -0.005 0.000 0.811 164 E CB -0.273 29.424 29.700 -0.004 0.000 0.746 164 E HN 0.675 nan 8.360 nan 0.000 0.466 165 A N 1.280 124.095 122.820 -0.008 0.000 1.854 165 A HA -0.137 4.183 4.320 0.000 0.000 0.214 165 A C 2.177 179.754 177.584 -0.012 0.000 1.192 165 A CA 1.106 53.136 52.037 -0.011 0.000 0.611 165 A CB -0.400 18.591 19.000 -0.014 0.000 0.832 165 A HN 0.102 nan 8.150 nan 0.000 0.442 166 M N -0.818 118.775 119.600 -0.012 0.000 2.213 166 M HA -0.159 4.321 4.480 0.000 0.000 0.263 166 M C 1.365 177.659 176.300 -0.010 0.000 1.062 166 M CA 1.721 57.013 55.300 -0.013 0.000 1.105 166 M CB -0.580 32.013 32.600 -0.012 0.000 1.385 166 M HN 0.361 nan 8.290 nan 0.000 0.417 167 D N 0.296 120.692 120.400 -0.008 0.000 2.378 167 D HA -0.059 4.581 4.640 0.000 0.000 0.227 167 D C 1.786 178.082 176.300 -0.007 0.000 1.012 167 D CA 0.751 54.747 54.000 -0.006 0.000 0.905 167 D CB 0.308 41.105 40.800 -0.005 0.000 0.895 167 D HN 0.040 nan 8.370 nan 0.000 0.532 168 K N -0.681 119.714 120.400 -0.008 0.000 2.399 168 K HA 0.118 4.438 4.320 0.000 0.000 0.196 168 K C 0.837 177.432 176.600 -0.009 0.000 1.103 168 K CA 0.443 56.725 56.287 -0.008 0.000 0.986 168 K CB 1.561 34.056 32.500 -0.008 0.000 0.952 168 K HN 0.149 nan 8.250 nan 0.000 0.541 169 V N -2.971 116.937 119.914 -0.011 0.000 3.261 169 V HA 0.437 4.557 4.120 0.000 0.000 0.330 169 V C 0.246 176.333 176.094 -0.012 0.000 1.461 169 V CA -0.208 62.086 62.300 -0.011 0.000 1.127 169 V CB 0.086 31.901 31.823 -0.014 0.000 1.044 169 V HN 0.219 nan 8.190 nan 0.000 0.499 170 G N 2.532 111.326 108.800 -0.010 0.000 2.797 170 G HA2 -0.215 3.745 3.960 0.000 0.000 0.686 170 G HA3 -0.215 3.745 3.960 0.000 0.000 0.686 170 G C 0.279 175.171 174.900 -0.012 0.000 1.452 170 G CA 0.014 45.108 45.100 -0.010 0.000 0.986 170 G HN 0.794 nan 8.290 nan 0.000 0.595 171 K N 0.348 120.741 120.400 -0.011 0.000 2.633 171 K HA -0.025 4.295 4.320 0.000 0.000 0.193 171 K C 0.638 177.230 176.600 -0.014 0.000 1.033 171 K CA 1.392 57.672 56.287 -0.012 0.000 0.980 171 K CB 0.380 32.875 32.500 -0.009 0.000 0.800 171 K HN 0.524 nan 8.250 nan 0.000 0.493 172 E N 1.078 121.269 120.200 -0.014 0.000 2.624 172 E HA 0.122 4.472 4.350 0.000 0.000 0.210 172 E C 0.451 177.041 176.600 -0.017 0.000 0.997 172 E CA -0.095 56.297 56.400 -0.014 0.000 0.999 172 E CB 1.167 30.861 29.700 -0.009 0.000 1.040 172 E HN 0.411 nan 8.360 nan 0.000 0.469 173 G N 0.446 109.234 108.800 -0.020 0.000 2.568 173 G HA2 0.429 4.389 3.960 0.000 0.000 0.293 173 G HA3 0.429 4.389 3.960 0.000 0.000 0.293 173 G C -0.050 174.831 174.900 -0.031 0.000 1.347 173 G CA -0.427 44.660 45.100 -0.021 0.000 1.039 173 G HN -0.035 nan 8.290 nan 0.000 0.523 174 V N 0.028 119.924 119.914 -0.030 0.000 2.481 174 V HA 0.577 4.697 4.120 0.000 0.000 0.286 174 V C -0.112 175.957 176.094 -0.042 0.000 1.042 174 V CA -0.363 61.913 62.300 -0.040 0.000 0.928 174 V CB 0.912 32.713 31.823 -0.037 0.000 0.986 174 V HN 0.482 nan 8.190 nan 0.000 0.462 175 I N 3.119 123.656 120.570 -0.054 0.000 2.571 175 I HA 0.518 4.688 4.170 0.000 0.000 0.289 175 I C -0.384 175.702 176.117 -0.052 0.000 1.115 175 I CA -0.150 61.121 61.300 -0.049 0.000 1.045 175 I CB 2.495 40.464 38.000 -0.051 0.000 1.238 175 I HN 0.617 nan 8.210 nan 0.000 0.424 176 T N 4.562 119.093 114.554 -0.038 0.000 2.907 176 T HA 0.603 4.953 4.350 0.000 0.000 0.292 176 T C -0.507 174.181 174.700 -0.021 0.000 1.043 176 T CA -0.722 61.359 62.100 -0.032 0.000 1.003 176 T CB 2.496 71.345 68.868 -0.031 0.000 1.084 176 T HN 0.386 nan 8.240 nan 0.000 0.483 177 V N 0.041 119.947 119.914 -0.012 0.000 2.378 177 V HA 0.644 4.764 4.120 0.000 0.000 0.288 177 V C -0.200 175.893 176.094 -0.002 0.000 1.016 177 V CA -0.817 61.481 62.300 -0.005 0.000 0.840 177 V CB 1.024 32.849 31.823 0.004 0.000 0.994 177 V HN 0.865 nan 8.190 nan 0.000 0.431 178 E N 2.556 122.754 120.200 -0.004 0.000 2.961 178 E HA 0.427 4.777 4.350 0.000 0.000 0.254 178 E C -0.935 175.665 176.600 0.000 0.000 1.192 178 E CA -0.935 55.463 56.400 -0.003 0.000 1.069 178 E CB 0.828 30.524 29.700 -0.006 0.000 1.338 178 E HN 0.767 nan 8.360 nan 0.000 0.596 179 D N -0.112 120.288 120.400 0.000 0.000 2.229 179 D HA 0.282 4.922 4.640 0.000 0.000 0.249 179 D C -0.129 176.171 176.300 0.000 0.000 1.027 179 D CA -0.225 53.776 54.000 0.002 0.000 0.923 179 D CB 1.492 42.294 40.800 0.002 0.000 1.174 179 D HN 0.442 nan 8.370 nan 0.000 0.443 180 G N -0.886 107.914 108.800 0.001 0.000 2.572 180 G HA2 0.282 4.242 3.960 0.000 0.000 0.261 180 G HA3 0.282 4.242 3.960 0.000 0.000 0.261 180 G C 0.843 175.742 174.900 -0.001 0.000 1.197 180 G CA -0.290 44.810 45.100 -0.000 0.000 0.870 180 G HN 0.452 nan 8.290 nan 0.000 0.548 181 T N -2.847 111.706 114.554 -0.001 0.000 3.069 181 T HA 0.470 4.820 4.350 0.000 0.000 0.252 181 T C 0.975 175.674 174.700 -0.001 0.000 1.053 181 T CA 0.537 62.636 62.100 -0.001 0.000 0.964 181 T CB 0.380 69.247 68.868 -0.002 0.000 1.005 181 T HN 2.009 nan 8.240 nan 0.000 0.532 182 G N 2.011 110.811 108.800 -0.000 0.000 2.314 182 G HA2 0.310 4.270 3.960 0.000 0.000 0.286 182 G HA3 0.310 4.270 3.960 0.000 0.000 0.286 182 G C -0.575 174.325 174.900 -0.000 0.000 1.270 182 G CA -0.613 44.487 45.100 -0.000 0.000 1.277 182 G HN 0.623 nan 8.290 nan 0.000 0.635 183 L N -0.028 121.196 121.223 0.000 0.000 0.611 183 L HA -0.183 4.157 4.340 0.000 0.000 0.356 183 L C 0.465 177.335 176.870 -0.000 0.000 1.007 183 L CA 2.313 57.153 54.840 0.000 0.000 1.222 183 L CB -0.322 41.737 42.059 0.000 0.000 0.016 183 L HN 1.791 nan 8.230 nan 0.000 0.101 184 Q N 1.555 121.355 119.800 -0.000 0.000 2.667 184 Q HA -0.124 4.216 4.340 0.000 0.000 0.210 184 Q C -0.602 175.398 176.000 -0.001 0.000 1.417 184 Q CA 1.031 56.834 55.803 -0.000 0.000 0.607 184 Q CB -0.586 28.152 28.738 -0.001 0.000 0.739 184 Q HN 0.598 nan 8.270 nan 0.000 0.315 185 D N 3.323 123.723 120.400 -0.001 0.000 2.455 185 D HA 0.035 4.675 4.640 0.000 0.000 0.241 185 D C 0.301 176.600 176.300 -0.002 0.000 1.138 185 D CA 0.764 54.763 54.000 -0.001 0.000 0.877 185 D CB 0.718 41.518 40.800 -0.001 0.000 1.187 185 D HN 0.309 nan 8.370 nan 0.000 0.451 186 E N 0.288 120.486 120.200 -0.003 0.000 2.221 186 E HA 0.593 4.943 4.350 0.000 0.000 0.268 186 E C -0.912 175.685 176.600 -0.005 0.000 0.933 186 E CA -0.985 55.413 56.400 -0.004 0.000 0.809 186 E CB 2.259 31.957 29.700 -0.004 0.000 1.190 186 E HN 0.122 nan 8.360 nan 0.000 0.406 187 L N 2.835 124.055 121.223 -0.005 0.000 2.543 187 L HA 0.414 4.754 4.340 0.000 0.000 0.265 187 L C -2.183 174.683 176.870 -0.007 0.000 0.945 187 L CA -0.263 54.573 54.840 -0.006 0.000 0.869 187 L CB 1.771 43.826 42.059 -0.006 0.000 1.294 187 L HN 0.605 nan 8.230 nan 0.000 0.405 188 D N 3.506 123.902 120.400 -0.008 0.000 2.622 188 D HA 0.438 5.078 4.640 0.000 0.000 0.255 188 D C -1.345 174.950 176.300 -0.009 0.000 1.246 188 D CA -0.420 53.575 54.000 -0.008 0.000 0.795 188 D CB 2.086 42.881 40.800 -0.007 0.000 1.369 188 D HN 0.300 nan 8.370 nan 0.000 0.425 189 V N 0.282 120.191 119.914 -0.008 0.000 2.427 189 V HA 0.585 4.705 4.120 0.000 0.000 0.286 189 V C 0.364 176.453 176.094 -0.008 0.000 1.034 189 V CA -0.648 61.647 62.300 -0.009 0.000 0.893 189 V CB 1.220 33.039 31.823 -0.008 0.000 0.982 189 V HN 0.603 nan 8.190 nan 0.000 0.452 190 V N 1.272 121.180 119.914 -0.009 0.000 2.962 190 V HA 0.653 4.773 4.120 0.000 0.000 0.313 190 V C -0.342 175.748 176.094 -0.007 0.000 1.099 190 V CA -1.017 61.278 62.300 -0.008 0.000 0.971 190 V CB 2.199 34.016 31.823 -0.010 0.000 1.028 190 V HN 0.705 nan 8.190 nan 0.000 0.430 191 E N 2.403 122.600 120.200 -0.004 0.000 2.341 191 E HA 0.479 4.829 4.350 0.000 0.000 0.256 191 E C 0.345 176.946 176.600 0.001 0.000 1.125 191 E CA 0.830 57.230 56.400 -0.000 0.000 0.939 191 E CB 0.802 30.503 29.700 0.001 0.000 0.991 191 E HN 1.101 nan 8.360 nan 0.000 0.458 192 G N 1.688 110.490 108.800 0.003 0.000 2.911 192 G HA2 0.748 4.708 3.960 0.000 0.000 0.299 192 G HA3 0.748 4.708 3.960 0.000 0.000 0.299 192 G C -0.930 173.979 174.900 0.016 0.000 1.283 192 G CA -0.550 44.553 45.100 0.005 0.000 0.805 192 G HN 0.417 nan 8.290 nan 0.000 0.548 193 M N -0.878 118.732 119.600 0.016 0.000 2.895 193 M HA 0.522 5.002 4.480 0.000 0.000 0.271 193 M C -2.462 173.840 176.300 0.004 0.000 1.174 193 M CA -0.622 54.702 55.300 0.040 0.000 0.816 193 M CB 2.373 35.033 32.600 0.100 0.000 1.647 193 M HN 0.637 nan 8.290 nan 0.000 0.506 194 Q N 2.735 122.548 119.800 0.020 0.000 2.280 194 Q HA 0.545 4.885 4.340 0.000 0.000 0.259 194 Q C -2.256 173.747 176.000 0.006 0.000 0.964 194 Q CA -0.519 55.224 55.803 -0.099 0.000 0.844 194 Q CB 1.859 30.538 28.738 -0.098 0.000 1.334 194 Q HN 0.584 nan 8.270 nan 0.000 0.423 195 F N -0.021 119.921 119.950 -0.013 0.000 2.579 195 F HA 0.546 5.073 4.527 0.000 0.000 0.324 195 F C 0.120 175.913 175.800 -0.011 0.000 1.058 195 F CA -1.139 56.855 58.000 -0.009 0.000 0.944 195 F CB 0.971 39.969 39.000 -0.003 0.000 1.245 195 F HN 0.288 nan 8.300 nan 0.000 0.477 196 D N 2.400 122.932 120.400 0.220 0.000 2.982 196 D HA 0.088 4.728 4.640 0.000 0.000 0.238 196 D C -0.163 176.219 176.300 0.136 0.000 1.168 196 D CA 0.355 54.423 54.000 0.114 0.000 0.947 196 D CB -0.056 40.796 40.800 0.088 0.000 1.147 196 D HN 0.241 nan 8.370 nan 0.000 0.450 197 R N -0.041 120.564 120.500 0.175 0.000 2.670 197 R HA 0.595 4.935 4.340 0.000 0.000 0.289 197 R C 0.371 176.680 176.300 0.015 0.000 0.965 197 R CA -0.717 55.478 56.100 0.158 0.000 0.899 197 R CB 2.173 32.685 30.300 0.353 0.000 1.173 197 R HN 0.096 nan 8.270 nan 0.000 0.456 198 G N 0.865 109.641 108.800 -0.040 0.000 2.667 198 G HA2 0.453 4.413 3.960 0.000 0.000 0.310 198 G HA3 0.453 4.413 3.960 0.000 0.000 0.310 198 G C -0.756 174.103 174.900 -0.069 0.000 1.259 198 G CA -0.568 44.422 45.100 -0.184 0.000 1.019 198 G HN 0.434 nan 8.290 nan 0.000 0.496 199 Y N -0.825 119.497 120.300 0.037 0.000 2.652 199 Y HA 0.268 4.818 4.550 0.000 0.000 0.344 199 Y C 1.348 177.313 175.900 0.108 0.000 1.254 199 Y CA -1.021 57.113 58.100 0.056 0.000 1.480 199 Y CB 0.186 38.718 38.460 0.119 0.000 1.345 199 Y HN 0.213 nan 8.280 nan 0.000 0.617 200 L N 1.257 122.725 121.223 0.409 0.000 2.240 200 L HA 0.054 4.394 4.340 0.000 0.000 0.211 200 L C 0.521 177.601 176.870 0.350 0.000 1.106 200 L CA 1.173 56.216 54.840 0.339 0.000 0.793 200 L CB -0.453 41.775 42.059 0.280 0.000 0.927 200 L HN 0.837 nan 8.230 nan 0.000 0.446 201 S N -3.084 112.848 115.700 0.386 0.000 2.537 201 S HA 0.489 4.959 4.470 0.000 0.000 0.271 201 S C -2.749 171.703 174.600 -0.247 0.000 1.148 201 S CA -1.207 57.039 58.200 0.077 0.000 0.868 201 S CB 2.065 65.290 63.200 0.042 0.000 1.115 201 S HN -0.285 nan 8.310 nan 0.000 0.461 202 P HA 0.204 nan 4.420 nan 0.000 0.317 202 P C 0.253 177.238 177.300 -0.526 0.000 1.427 202 P CA 0.554 63.174 63.100 -0.799 0.000 0.820 202 P CB -0.156 31.076 31.700 -0.780 0.000 1.894 203 Y N -4.574 115.551 120.300 -0.292 0.000 2.843 203 Y HA -0.313 4.237 4.550 0.000 0.000 0.492 203 Y C 1.959 177.735 175.900 -0.207 0.000 1.055 203 Y CA 1.479 59.420 58.100 -0.266 0.000 2.997 203 Y CB -3.172 35.076 38.460 -0.353 0.000 0.837 203 Y HN 0.082 nan 8.280 nan 0.000 0.553 204 F N 0.459 120.419 119.950 0.017 0.000 2.236 204 F HA -0.124 4.403 4.527 0.000 0.000 0.302 204 F C 1.504 177.305 175.800 0.001 0.000 1.073 204 F CA 0.974 58.982 58.000 0.013 0.000 1.336 204 F CB -0.752 38.251 39.000 0.005 0.000 1.040 204 F HN -0.010 nan 8.300 nan 0.000 0.507 205 I N 2.503 123.144 120.570 0.118 0.000 2.943 205 I HA -0.224 3.946 4.170 0.000 0.000 0.296 205 I C 0.761 176.924 176.117 0.076 0.000 1.220 205 I CA 0.527 61.868 61.300 0.069 0.000 1.409 205 I CB -0.125 37.865 38.000 -0.017 0.000 1.374 205 I HN 0.238 nan 8.210 nan 0.000 0.545 206 N N 4.873 123.622 118.700 0.081 0.000 2.184 206 N HA 0.070 4.810 4.740 0.000 0.000 0.206 206 N C -0.022 175.518 175.510 0.050 0.000 1.151 206 N CA -0.129 52.960 53.050 0.065 0.000 0.878 206 N CB 0.480 39.008 38.487 0.068 0.000 1.014 206 N HN 0.485 nan 8.380 nan 0.000 0.512 207 K N 1.122 121.553 120.400 0.051 0.000 2.920 207 K HA 0.243 4.564 4.320 0.000 0.000 0.175 207 K C -2.164 174.461 176.600 0.040 0.000 1.099 207 K CA -1.543 54.769 56.287 0.042 0.000 0.939 207 K CB 1.902 34.426 32.500 0.041 0.000 1.148 207 K HN -0.002 nan 8.250 nan 0.000 0.613 208 P HA -0.172 nan 4.420 nan 0.000 0.231 208 P C 0.204 177.517 177.300 0.023 0.000 1.154 208 P CA 1.083 64.199 63.100 0.026 0.000 0.762 208 P CB 0.507 32.219 31.700 0.020 0.000 0.790 209 E N -0.123 120.092 120.200 0.024 0.000 2.016 209 E HA -0.076 4.274 4.350 0.000 0.000 0.190 209 E C 2.065 178.678 176.600 0.021 0.000 0.985 209 E CA 1.707 58.119 56.400 0.019 0.000 0.802 209 E CB -0.928 28.784 29.700 0.019 0.000 0.762 209 E HN 0.198 nan 8.360 nan 0.000 0.448 210 T N -1.276 113.295 114.554 0.030 0.000 2.942 210 T HA 0.109 4.459 4.350 0.000 0.000 0.265 210 T C 1.354 176.082 174.700 0.046 0.000 1.062 210 T CA 0.911 63.032 62.100 0.035 0.000 1.139 210 T CB 0.007 68.901 68.868 0.043 0.000 0.883 210 T HN 0.421 nan 8.240 nan 0.000 0.468 211 G N 1.074 109.908 108.800 0.057 0.000 2.130 211 G HA2 0.108 4.068 3.960 0.000 0.000 0.216 211 G HA3 0.108 4.068 3.960 0.000 0.000 0.216 211 G C 0.035 175.024 174.900 0.148 0.000 0.999 211 G CA -0.056 45.093 45.100 0.082 0.000 0.686 211 G HN 0.909 nan 8.290 nan 0.000 0.515 212 A N -1.533 121.363 122.820 0.127 0.000 2.486 212 A HA 0.990 5.310 4.320 0.000 0.000 0.277 212 A C -0.271 177.394 177.584 0.136 0.000 1.282 212 A CA -0.141 51.997 52.037 0.168 0.000 0.784 212 A CB 1.637 20.703 19.000 0.109 0.000 1.350 212 A HN 1.247 nan 8.150 nan 0.000 0.454 213 V N 0.227 120.224 119.914 0.139 0.000 2.769 213 V HA 0.668 4.788 4.120 0.000 0.000 0.312 213 V C -0.307 175.824 176.094 0.061 0.000 1.058 213 V CA -0.423 61.941 62.300 0.107 0.000 0.952 213 V CB 1.630 33.529 31.823 0.126 0.000 1.019 213 V HN 0.909 nan 8.190 nan 0.000 0.445 214 E N 2.789 123.019 120.200 0.050 0.000 2.274 214 E HA 0.614 4.964 4.350 0.000 0.000 0.269 214 E C -2.022 174.592 176.600 0.024 0.000 0.891 214 E CA -0.538 55.878 56.400 0.027 0.000 0.784 214 E CB 1.693 31.407 29.700 0.025 0.000 1.225 214 E HN 0.624 nan 8.360 nan 0.000 0.412 215 L N 3.396 124.625 121.223 0.010 0.000 2.381 215 L HA 0.522 4.862 4.340 0.000 0.000 0.274 215 L C -0.427 176.436 176.870 -0.011 0.000 0.988 215 L CA -0.874 53.969 54.840 0.006 0.000 0.824 215 L CB 2.001 44.064 42.059 0.008 0.000 1.263 215 L HN 0.475 nan 8.230 nan 0.000 0.410 216 E N 1.487 121.677 120.200 -0.015 0.000 2.156 216 E HA 0.302 4.652 4.350 0.000 0.000 0.279 216 E C -0.152 176.413 176.600 -0.058 0.000 0.965 216 E CA -0.539 55.842 56.400 -0.031 0.000 0.789 216 E CB 1.570 31.258 29.700 -0.021 0.000 1.098 216 E HN 0.635 nan 8.360 nan 0.000 0.397 217 S N 1.713 117.364 115.700 -0.081 0.000 3.614 217 S HA -0.124 4.346 4.470 0.000 0.000 0.360 217 S C -2.031 172.438 174.600 -0.218 0.000 1.023 217 S CA 0.413 58.529 58.200 -0.140 0.000 1.114 217 S CB -1.342 61.779 63.200 -0.131 0.000 0.907 217 S HN 0.514 nan 8.310 nan 0.000 0.470 218 P HA 0.546 nan 4.420 nan 0.000 0.279 218 P C -0.116 177.051 177.300 -0.222 0.000 1.276 218 P CA -0.599 62.412 63.100 -0.148 0.000 0.801 218 P CB 0.536 32.218 31.700 -0.031 0.000 1.127 219 F N -0.550 119.407 119.950 0.011 0.000 2.432 219 F HA 0.476 5.003 4.527 0.000 0.000 0.329 219 F C 0.737 176.544 175.800 0.012 0.000 1.076 219 F CA -0.453 57.554 58.000 0.012 0.000 1.018 219 F CB 0.902 39.909 39.000 0.012 0.000 1.201 219 F HN 0.044 nan 8.300 nan 0.000 0.489 220 I N 3.173 123.885 120.570 0.237 0.000 2.569 220 I HA 0.387 4.557 4.170 0.000 0.000 0.296 220 I C -1.419 174.761 176.117 0.106 0.000 1.028 220 I CA -1.115 60.265 61.300 0.134 0.000 1.082 220 I CB 2.077 40.137 38.000 0.100 0.000 1.264 220 I HN 0.234 nan 8.210 nan 0.000 0.429 221 L N 6.913 128.178 121.223 0.071 0.000 2.280 221 L HA 0.522 4.862 4.340 0.000 0.000 0.287 221 L C -1.075 175.814 176.870 0.033 0.000 1.023 221 L CA -0.186 54.681 54.840 0.044 0.000 0.819 221 L CB 0.969 43.047 42.059 0.032 0.000 1.212 221 L HN 0.473 nan 8.230 nan 0.000 0.420 222 L N 6.152 127.389 121.223 0.024 0.000 2.301 222 L HA 0.795 5.136 4.340 0.000 0.000 0.278 222 L C -0.272 176.601 176.870 0.004 0.000 1.022 222 L CA -0.423 54.423 54.840 0.011 0.000 0.854 222 L CB 1.158 43.223 42.059 0.010 0.000 1.226 222 L HN 0.778 nan 8.230 nan 0.000 0.429 223 A N 1.838 124.659 122.820 0.002 0.000 2.381 223 A HA 0.444 4.764 4.320 0.000 0.000 0.299 223 A C -1.064 176.519 177.584 -0.001 0.000 1.049 223 A CA -0.586 51.452 52.037 0.001 0.000 0.715 223 A CB 1.469 20.472 19.000 0.006 0.000 1.222 223 A HN 0.640 nan 8.150 nan 0.000 0.428 224 D N 2.516 122.913 120.400 -0.004 0.000 2.422 224 D HA 0.488 5.128 4.640 0.000 0.000 0.227 224 D C -0.050 176.252 176.300 0.004 0.000 1.190 224 D CA 0.411 54.409 54.000 -0.003 0.000 0.905 224 D CB -0.282 40.513 40.800 -0.008 0.000 1.034 224 D HN 0.704 nan 8.370 nan 0.000 0.507 225 K N 0.729 121.134 120.400 0.008 0.000 3.663 225 K HA 0.132 4.452 4.320 0.000 0.000 0.413 225 K C -1.409 175.202 176.600 0.018 0.000 1.089 225 K CA -1.133 55.162 56.287 0.013 0.000 0.860 225 K CB 0.249 32.756 32.500 0.012 0.000 1.492 225 K HN 0.024 nan 8.250 nan 0.000 0.517 226 K N 0.860 121.273 120.400 0.021 0.000 2.098 226 K HA 0.515 4.835 4.320 0.000 0.000 0.261 226 K C -0.508 176.107 176.600 0.025 0.000 0.987 226 K CA -0.631 55.671 56.287 0.025 0.000 0.916 226 K CB 0.893 33.409 32.500 0.026 0.000 1.039 226 K HN 0.378 nan 8.250 nan 0.000 0.455 227 I N 1.677 122.265 120.570 0.031 0.000 2.439 227 I HA 0.099 4.269 4.170 0.000 0.000 0.283 227 I C 0.153 176.291 176.117 0.035 0.000 1.023 227 I CA -0.108 61.211 61.300 0.031 0.000 1.100 227 I CB 1.911 39.931 38.000 0.034 0.000 1.238 227 I HN 0.624 nan 8.210 nan 0.000 0.445 228 S N 2.826 118.544 115.700 0.030 0.000 2.807 228 S HA 0.173 4.643 4.470 0.000 0.000 0.247 228 S C 0.722 175.338 174.600 0.026 0.000 1.078 228 S CA -0.123 58.095 58.200 0.030 0.000 0.867 228 S CB 0.283 63.498 63.200 0.025 0.000 0.797 228 S HN 0.574 nan 8.310 nan 0.000 0.515 229 N N 2.907 121.620 118.700 0.022 0.000 2.399 229 N HA 0.183 4.923 4.740 0.000 0.000 0.259 229 N C 0.676 176.197 175.510 0.019 0.000 1.160 229 N CA 0.024 53.085 53.050 0.018 0.000 0.946 229 N CB 0.851 39.347 38.487 0.014 0.000 1.156 229 N HN 0.335 nan 8.380 nan 0.000 0.489 230 I N 3.245 123.828 120.570 0.021 0.000 2.423 230 I HA -0.293 3.877 4.170 0.000 0.000 0.254 230 I C 1.902 178.029 176.117 0.016 0.000 1.151 230 I CA 1.177 62.490 61.300 0.022 0.000 1.421 230 I CB 0.203 38.216 38.000 0.022 0.000 1.079 230 I HN 0.429 nan 8.210 nan 0.000 0.431 231 R N 0.823 121.331 120.500 0.013 0.000 2.119 231 R HA -0.240 4.100 4.340 0.000 0.000 0.246 231 R C 1.940 178.244 176.300 0.007 0.000 1.146 231 R CA 2.146 58.251 56.100 0.009 0.000 0.962 231 R CB -0.468 29.837 30.300 0.007 0.000 0.863 231 R HN 0.573 nan 8.270 nan 0.000 0.442 232 E N -0.192 120.013 120.200 0.009 0.000 2.265 232 E HA -0.168 4.182 4.350 0.000 0.000 0.196 232 E C 1.901 178.505 176.600 0.005 0.000 0.996 232 E CA 0.840 57.244 56.400 0.007 0.000 0.832 232 E CB 0.032 29.738 29.700 0.009 0.000 0.756 232 E HN 0.270 nan 8.360 nan 0.000 0.491 233 M N 0.197 119.802 119.600 0.009 0.000 2.115 233 M HA -0.048 4.432 4.480 0.000 0.000 0.261 233 M C 2.400 178.701 176.300 0.001 0.000 1.079 233 M CA 1.081 56.386 55.300 0.008 0.000 1.143 233 M CB -1.042 31.569 32.600 0.018 0.000 1.332 233 M HN 0.139 nan 8.290 nan 0.000 0.421 234 L N 0.628 121.853 121.223 0.003 0.000 2.143 234 L HA -0.284 4.056 4.340 0.000 0.000 0.231 234 L C -0.438 176.426 176.870 -0.010 0.000 1.106 234 L CA 2.078 56.917 54.840 -0.001 0.000 0.827 234 L CB -2.865 39.195 42.059 0.000 0.000 0.915 234 L HN 0.219 nan 8.230 nan 0.000 0.448 235 P HA -0.111 nan 4.420 nan 0.000 0.226 235 P C 1.380 178.661 177.300 -0.032 0.000 1.146 235 P CA 1.376 64.465 63.100 -0.019 0.000 0.773 235 P CB 0.202 31.893 31.700 -0.016 0.000 0.772 236 V N -1.338 118.557 119.914 -0.033 0.000 3.359 236 V HA 0.071 4.191 4.120 0.000 0.000 0.245 236 V C 2.449 178.512 176.094 -0.050 0.000 1.247 236 V CA 0.239 62.507 62.300 -0.053 0.000 1.145 236 V CB -0.493 31.301 31.823 -0.048 0.000 0.906 236 V HN -0.042 nan 8.190 nan 0.000 0.464 237 L N 0.260 121.469 121.223 -0.023 0.000 2.362 237 L HA -0.065 4.276 4.340 0.000 0.000 0.219 237 L C 2.232 179.096 176.870 -0.010 0.000 1.134 237 L CA 1.460 56.295 54.840 -0.008 0.000 0.807 237 L CB -0.174 41.890 42.059 0.010 0.000 0.927 237 L HN 0.464 nan 8.230 nan 0.000 0.447 238 E N -0.457 119.731 120.200 -0.020 0.000 2.251 238 E HA 0.036 4.386 4.350 0.000 0.000 0.194 238 E C 2.126 178.707 176.600 -0.032 0.000 0.964 238 E CA 0.623 57.012 56.400 -0.017 0.000 0.868 238 E CB 0.143 29.835 29.700 -0.013 0.000 0.828 238 E HN 0.389 nan 8.360 nan 0.000 0.481 239 A N 0.954 123.740 122.820 -0.057 0.000 2.168 239 A HA -0.019 4.301 4.320 0.000 0.000 0.215 239 A C 1.987 179.496 177.584 -0.124 0.000 1.152 239 A CA 0.645 52.631 52.037 -0.086 0.000 0.716 239 A CB 0.098 19.032 19.000 -0.110 0.000 0.794 239 A HN 0.078 nan 8.150 nan 0.000 0.465 240 V N -1.258 118.595 119.914 -0.103 0.000 3.621 240 V HA 0.142 4.262 4.120 0.000 0.000 0.285 240 V C 2.320 178.424 176.094 0.017 0.000 1.346 240 V CA 0.835 63.084 62.300 -0.084 0.000 1.104 240 V CB 0.034 31.812 31.823 -0.076 0.000 0.913 240 V HN 0.531 nan 8.190 nan 0.000 0.432 241 A N -0.274 122.551 122.820 0.009 0.000 1.975 241 A HA 0.083 4.403 4.320 0.000 0.000 0.215 241 A C 1.441 179.047 177.584 0.036 0.000 1.170 241 A CA 0.707 52.761 52.037 0.028 0.000 0.656 241 A CB 0.022 19.032 19.000 0.017 0.000 0.821 241 A HN 0.453 nan 8.150 nan 0.000 0.449 242 K N -2.127 118.287 120.400 0.024 0.000 2.118 242 K HA 0.430 4.750 4.320 0.000 0.000 0.240 242 K C 1.066 177.708 176.600 0.070 0.000 1.035 242 K CA 0.307 56.614 56.287 0.033 0.000 0.899 242 K CB 0.317 32.825 32.500 0.014 0.000 1.085 242 K HN 0.604 nan 8.250 nan 0.000 0.498 243 A N 0.314 123.183 122.820 0.080 0.000 4.115 243 A HA -0.240 4.080 4.320 0.000 0.000 0.268 243 A C 1.205 178.864 177.584 0.124 0.000 0.917 243 A CA 1.796 53.909 52.037 0.126 0.000 1.090 243 A CB -2.441 16.695 19.000 0.226 0.000 1.067 243 A HN 1.392 nan 8.150 nan 0.000 0.828 244 G N -1.242 107.621 108.800 0.104 0.000 2.321 244 G HA2 -0.314 3.646 3.960 0.000 0.000 0.287 244 G HA3 -0.314 3.646 3.960 0.000 0.000 0.287 244 G C -0.013 174.944 174.900 0.095 0.000 1.018 244 G CA 1.525 46.676 45.100 0.085 0.000 0.855 244 G HN 1.167 nan 8.290 nan 0.000 0.507 245 K N 0.696 121.190 120.400 0.158 0.000 2.203 245 K HA 0.524 4.844 4.320 0.000 0.000 0.251 245 K C -2.022 174.682 176.600 0.174 0.000 0.944 245 K CA -1.995 54.369 56.287 0.127 0.000 0.829 245 K CB 2.356 34.885 32.500 0.049 0.000 1.125 245 K HN 0.068 nan 8.250 nan 0.000 0.430 246 P HA 0.133 nan 4.420 nan 0.000 0.275 246 P C -1.136 176.257 177.300 0.155 0.000 1.266 246 P CA -0.529 62.637 63.100 0.111 0.000 0.793 246 P CB 0.655 32.395 31.700 0.067 0.000 1.074 247 L N 0.274 121.571 121.223 0.125 0.000 2.401 247 L HA 0.569 4.909 4.340 0.000 0.000 0.266 247 L C -1.430 175.480 176.870 0.066 0.000 0.991 247 L CA -1.043 53.876 54.840 0.131 0.000 0.818 247 L CB 1.709 43.841 42.059 0.121 0.000 1.321 247 L HN 0.177 nan 8.230 nan 0.000 0.413 248 L N 5.045 126.307 121.223 0.065 0.000 2.329 248 L HA 0.667 5.007 4.340 0.000 0.000 0.279 248 L C -1.230 175.657 176.870 0.028 0.000 1.014 248 L CA -0.236 54.617 54.840 0.022 0.000 0.814 248 L CB 1.462 43.541 42.059 0.033 0.000 1.257 248 L HN 0.430 nan 8.230 nan 0.000 0.424 249 I N 6.759 127.327 120.570 -0.004 0.000 2.362 249 I HA 0.384 4.554 4.170 0.000 0.000 0.289 249 I C -0.399 175.733 176.117 0.026 0.000 0.994 249 I CA -0.289 61.019 61.300 0.013 0.000 1.158 249 I CB 1.243 39.246 38.000 0.005 0.000 1.315 249 I HN 0.533 nan 8.210 nan 0.000 0.451 250 I N 5.711 126.302 120.570 0.035 0.000 2.439 250 I HA 0.681 4.851 4.170 0.000 0.000 0.283 250 I C -0.031 176.092 176.117 0.009 0.000 1.023 250 I CA -0.242 61.076 61.300 0.031 0.000 1.100 250 I CB 1.788 39.808 38.000 0.032 0.000 1.238 250 I HN 0.710 nan 8.210 nan 0.000 0.445 251 A N 4.340 127.166 122.820 0.010 0.000 2.588 251 A HA 0.424 4.744 4.320 0.000 0.000 0.290 251 A C 0.611 178.201 177.584 0.010 0.000 1.136 251 A CA -0.539 51.502 52.037 0.007 0.000 0.681 251 A CB 1.391 20.401 19.000 0.017 0.000 1.282 251 A HN 0.711 nan 8.150 nan 0.000 0.421 252 E N -0.587 119.620 120.200 0.012 0.000 2.147 252 E HA -0.146 4.204 4.350 0.000 0.000 0.199 252 E C 0.103 176.721 176.600 0.031 0.000 1.005 252 E CA 2.101 58.514 56.400 0.020 0.000 0.810 252 E CB 0.074 29.788 29.700 0.023 0.000 0.736 252 E HN 0.635 nan 8.360 nan 0.000 0.460 253 D N -3.083 117.337 120.400 0.034 0.000 2.940 253 D HA 0.110 4.750 4.640 0.000 0.000 0.304 253 D C -2.078 174.251 176.300 0.049 0.000 1.255 253 D CA -0.376 53.651 54.000 0.045 0.000 0.734 253 D CB 1.020 41.847 40.800 0.044 0.000 1.261 253 D HN -0.136 nan 8.370 nan 0.000 0.436 254 V N 1.536 121.487 119.914 0.062 0.000 2.567 254 V HA 0.425 4.545 4.120 0.000 0.000 0.298 254 V C -0.544 175.593 176.094 0.071 0.000 1.047 254 V CA -0.685 61.656 62.300 0.068 0.000 0.880 254 V CB 1.594 33.468 31.823 0.085 0.000 1.009 254 V HN 0.443 nan 8.190 nan 0.000 0.429 255 E N 2.402 122.636 120.200 0.057 0.000 2.250 255 E HA 0.464 4.814 4.350 0.000 0.000 0.269 255 E C 1.420 178.050 176.600 0.051 0.000 1.018 255 E CA -0.134 56.297 56.400 0.052 0.000 0.873 255 E CB 1.640 31.363 29.700 0.040 0.000 1.134 255 E HN 0.774 nan 8.360 nan 0.000 0.403 256 G N 1.673 110.501 108.800 0.046 0.000 3.437 256 G HA2 -0.421 3.539 3.960 0.000 0.000 0.238 256 G HA3 -0.421 3.539 3.960 0.000 0.000 0.238 256 G C 1.223 176.144 174.900 0.035 0.000 1.054 256 G CA 1.667 46.791 45.100 0.040 0.000 0.704 256 G HN 0.544 nan 8.290 nan 0.000 0.713 257 E N 0.724 120.944 120.200 0.034 0.000 2.002 257 E HA 0.129 4.479 4.350 0.000 0.000 0.196 257 E C 2.944 179.566 176.600 0.035 0.000 0.974 257 E CA 0.968 57.385 56.400 0.029 0.000 0.853 257 E CB -0.864 28.851 29.700 0.025 0.000 0.808 257 E HN 0.334 nan 8.360 nan 0.000 0.492 258 A N 1.005 123.850 122.820 0.041 0.000 2.234 258 A HA -0.146 4.174 4.320 0.000 0.000 0.216 258 A C 2.075 179.703 177.584 0.072 0.000 1.167 258 A CA 1.155 53.222 52.037 0.050 0.000 0.698 258 A CB -0.466 18.563 19.000 0.048 0.000 0.779 258 A HN 0.327 nan 8.150 nan 0.000 0.475 259 L N -0.600 120.669 121.223 0.077 0.000 2.056 259 L HA 0.208 4.548 4.340 0.000 0.000 0.202 259 L C 2.512 179.429 176.870 0.078 0.000 1.086 259 L CA 2.112 57.016 54.840 0.108 0.000 0.758 259 L CB -1.010 41.112 42.059 0.105 0.000 0.912 259 L HN 0.225 nan 8.230 nan 0.000 0.446 260 A N -1.670 121.176 122.820 0.044 0.000 2.234 260 A HA -0.130 4.190 4.320 0.000 0.000 0.216 260 A C 2.054 179.635 177.584 -0.004 0.000 1.167 260 A CA 1.878 53.920 52.037 0.008 0.000 0.698 260 A CB -1.063 17.940 19.000 0.005 0.000 0.779 260 A HN 0.599 nan 8.150 nan 0.000 0.475 261 T N -0.097 114.469 114.554 0.020 0.000 2.814 261 T HA 0.055 4.405 4.350 0.000 0.000 0.254 261 T C 1.754 176.469 174.700 0.026 0.000 1.037 261 T CA 1.170 63.280 62.100 0.018 0.000 1.143 261 T CB -0.239 68.647 68.868 0.030 0.000 0.866 261 T HN 0.412 nan 8.240 nan 0.000 0.431 262 L N 1.108 122.372 121.223 0.068 0.000 2.156 262 L HA 0.004 4.344 4.340 0.000 0.000 0.208 262 L C 2.527 179.431 176.870 0.057 0.000 1.095 262 L CA 0.586 55.494 54.840 0.114 0.000 0.770 262 L CB -0.716 41.476 42.059 0.222 0.000 0.914 262 L HN 0.114 nan 8.230 nan 0.000 0.439 263 V N -0.433 119.456 119.914 -0.042 0.000 2.688 263 V HA -0.208 3.912 4.120 0.000 0.000 0.256 263 V C 2.140 178.109 176.094 -0.209 0.000 1.084 263 V CA 1.305 63.456 62.300 -0.248 0.000 1.103 263 V CB -0.162 31.535 31.823 -0.210 0.000 0.688 263 V HN 0.268 nan 8.190 nan 0.000 0.480 264 V N -0.990 118.853 119.914 -0.118 0.000 2.922 264 V HA -0.012 4.108 4.120 0.000 0.000 0.242 264 V C 1.909 177.966 176.094 -0.062 0.000 1.094 264 V CA 1.095 63.327 62.300 -0.113 0.000 1.106 264 V CB -0.473 31.295 31.823 -0.092 0.000 0.799 264 V HN 0.500 nan 8.190 nan 0.000 0.474 265 N N 0.981 119.668 118.700 -0.021 0.000 2.084 265 N HA -0.168 4.572 4.740 0.000 0.000 0.190 265 N C 1.780 177.300 175.510 0.017 0.000 1.030 265 N CA 1.895 54.947 53.050 0.004 0.000 0.849 265 N CB -0.044 38.459 38.487 0.026 0.000 1.012 265 N HN 0.586 nan 8.380 nan 0.000 0.423 266 T N -1.645 112.933 114.554 0.040 0.000 3.194 266 T HA 0.070 4.420 4.350 0.000 0.000 0.251 266 T C 1.403 176.118 174.700 0.026 0.000 1.132 266 T CA 0.132 62.269 62.100 0.062 0.000 1.028 266 T CB 0.103 69.055 68.868 0.141 0.000 0.976 266 T HN 0.032 nan 8.240 nan 0.000 0.535 267 M N 0.649 120.235 119.600 -0.023 0.000 2.447 267 M HA 0.393 4.873 4.480 0.000 0.000 0.266 267 M C 2.154 178.430 176.300 -0.039 0.000 1.120 267 M CA 1.039 56.304 55.300 -0.058 0.000 1.166 267 M CB 0.115 32.636 32.600 -0.131 0.000 1.349 267 M HN 0.061 nan 8.290 nan 0.000 0.463 268 R N -0.535 119.948 120.500 -0.029 0.000 2.276 268 R HA 0.295 4.635 4.340 0.000 0.000 0.196 268 R C 0.874 177.172 176.300 -0.004 0.000 0.961 268 R CA 0.715 56.803 56.100 -0.020 0.000 1.024 268 R CB 0.090 30.378 30.300 -0.020 0.000 0.940 268 R HN 0.599 nan 8.270 nan 0.000 0.480 269 G N 1.115 109.919 108.800 0.007 0.000 2.148 269 G HA2 -0.212 3.748 3.960 0.000 0.000 0.203 269 G HA3 -0.212 3.748 3.960 0.000 0.000 0.203 269 G C 0.111 175.025 174.900 0.023 0.000 0.993 269 G CA -0.539 44.572 45.100 0.018 0.000 0.661 269 G HN 0.206 nan 8.290 nan 0.000 0.518 270 I N 1.916 122.499 120.570 0.022 0.000 2.256 270 I HA 0.386 4.556 4.170 0.000 0.000 0.294 270 I C 0.826 176.967 176.117 0.039 0.000 1.127 270 I CA -0.791 60.524 61.300 0.025 0.000 1.247 270 I CB 0.657 38.667 38.000 0.017 0.000 1.460 270 I HN 0.096 nan 8.210 nan 0.000 0.511 271 V N 4.716 124.657 119.914 0.046 0.000 3.814 271 V HA -0.243 3.877 4.120 0.000 0.000 0.480 271 V C 0.188 176.328 176.094 0.076 0.000 0.682 271 V CA 0.446 62.782 62.300 0.060 0.000 1.959 271 V CB -1.489 30.367 31.823 0.056 0.000 2.372 271 V HN 0.758 nan 8.190 nan 0.000 0.501 272 K N 4.002 124.451 120.400 0.082 0.000 2.368 272 K HA 0.697 5.017 4.320 0.000 0.000 0.282 272 K C -0.174 176.495 176.600 0.114 0.000 1.035 272 K CA -0.130 56.220 56.287 0.105 0.000 0.973 272 K CB 1.353 33.910 32.500 0.094 0.000 0.957 272 K HN 0.530 nan 8.250 nan 0.000 0.474 273 V N 0.623 120.630 119.914 0.154 0.000 3.159 273 V HA 0.869 4.989 4.120 0.000 0.000 0.308 273 V C -1.157 174.963 176.094 0.044 0.000 1.190 273 V CA -1.059 61.305 62.300 0.106 0.000 1.037 273 V CB 2.243 34.133 31.823 0.111 0.000 1.060 273 V HN 0.823 nan 8.190 nan 0.000 0.437 274 A N 1.294 123.983 122.820 -0.218 0.000 2.594 274 A HA 1.040 5.360 4.320 0.000 0.000 0.295 274 A C -0.918 176.369 177.584 -0.496 0.000 1.071 274 A CA -0.047 51.502 52.037 -0.815 0.000 0.685 274 A CB 1.956 20.596 19.000 -0.600 0.000 1.285 274 A HN 1.969 nan 8.150 nan 0.000 0.405 275 A N 0.132 122.600 122.820 -0.587 0.000 2.498 275 A HA 0.935 5.255 4.320 0.000 0.000 0.298 275 A C -0.668 176.867 177.584 -0.082 0.000 1.075 275 A CA -0.092 51.831 52.037 -0.189 0.000 0.714 275 A CB 1.573 20.537 19.000 -0.059 0.000 1.299 275 A HN 2.372 nan 8.150 nan 0.000 0.407 276 V N -1.409 118.516 119.914 0.019 0.000 3.048 276 V HA 0.553 4.673 4.120 0.000 0.000 0.303 276 V C -0.614 175.537 176.094 0.094 0.000 1.214 276 V CA -1.335 61.015 62.300 0.084 0.000 0.984 276 V CB 1.310 33.211 31.823 0.130 0.000 1.054 276 V HN 0.913 nan 8.190 nan 0.000 0.430 277 K N 2.227 122.683 120.400 0.092 0.000 2.469 277 K HA 0.501 4.821 4.320 0.000 0.000 0.274 277 K C 0.802 177.421 176.600 0.031 0.000 0.983 277 K CA 0.531 56.856 56.287 0.063 0.000 0.974 277 K CB 0.741 33.279 32.500 0.064 0.000 0.913 277 K HN 1.153 nan 8.250 nan 0.000 0.493 278 A N 4.241 127.047 122.820 -0.023 0.000 2.364 278 A HA 0.179 4.499 4.320 0.000 0.000 0.258 278 A C -2.020 175.461 177.584 -0.171 0.000 1.131 278 A CA -0.745 51.215 52.037 -0.128 0.000 0.800 278 A CB -0.493 18.452 19.000 -0.093 0.000 1.086 278 A HN 0.548 nan 8.150 nan 0.000 0.508 279 P HA 0.403 nan 4.420 nan 0.000 0.284 279 P C 0.693 177.957 177.300 -0.061 0.000 1.253 279 P CA 1.102 64.059 63.100 -0.237 0.000 0.800 279 P CB 0.867 32.323 31.700 -0.406 0.000 0.961 280 G N 2.807 111.633 108.800 0.043 0.000 2.581 280 G HA2 -0.169 3.791 3.960 0.000 0.000 0.291 280 G HA3 -0.169 3.791 3.960 0.000 0.000 0.291 280 G C -0.508 174.554 174.900 0.269 0.000 1.277 280 G CA 0.738 45.933 45.100 0.159 0.000 0.959 280 G HN 0.771 nan 8.290 nan 0.000 0.554 281 F N -3.432 116.517 119.950 -0.003 0.000 2.831 281 F HA 0.729 5.256 4.527 0.000 0.000 0.318 281 F C 0.928 176.734 175.800 0.010 0.000 1.174 281 F CA 0.374 58.376 58.000 0.002 0.000 0.918 281 F CB 0.706 39.713 39.000 0.013 0.000 1.364 281 F HN 2.446 nan 8.300 nan 0.000 0.475 282 G N 0.973 109.779 108.800 0.009 0.000 2.527 282 G HA2 -0.254 3.706 3.960 0.000 0.000 0.268 282 G HA3 -0.254 3.706 3.960 0.000 0.000 0.268 282 G C 0.153 174.994 174.900 -0.099 0.000 1.175 282 G CA 0.502 45.540 45.100 -0.103 0.000 0.962 282 G HN 0.909 nan 8.290 nan 0.000 0.560 283 D N 0.968 121.292 120.400 -0.126 0.000 2.249 283 D HA -0.011 4.629 4.640 0.000 0.000 0.205 283 D C 2.535 178.775 176.300 -0.099 0.000 0.962 283 D CA 1.173 55.122 54.000 -0.084 0.000 0.860 283 D CB -0.020 40.743 40.800 -0.062 0.000 0.955 283 D HN 0.634 nan 8.370 nan 0.000 0.505 284 R N 1.142 121.552 120.500 -0.150 0.000 2.276 284 R HA 0.063 4.403 4.340 0.000 0.000 0.203 284 R C 2.092 178.321 176.300 -0.119 0.000 1.017 284 R CA 0.362 56.380 56.100 -0.136 0.000 1.010 284 R CB -0.238 29.961 30.300 -0.168 0.000 0.900 284 R HN 0.006 nan 8.270 nan 0.000 0.469 285 R N 2.122 122.553 120.500 -0.115 0.000 2.066 285 R HA -0.062 4.278 4.340 0.000 0.000 0.232 285 R C 1.235 177.493 176.300 -0.069 0.000 1.131 285 R CA 1.537 57.591 56.100 -0.077 0.000 0.955 285 R CB -0.048 30.234 30.300 -0.031 0.000 0.851 285 R HN 0.225 nan 8.270 nan 0.000 0.432 286 K N -0.093 120.274 120.400 -0.055 0.000 2.442 286 K HA -0.022 4.298 4.320 0.000 0.000 0.198 286 K C 1.697 178.268 176.600 -0.049 0.000 1.042 286 K CA 0.908 57.168 56.287 -0.044 0.000 0.958 286 K CB 0.173 32.654 32.500 -0.032 0.000 0.766 286 K HN 0.270 nan 8.250 nan 0.000 0.474 287 A N 0.922 123.707 122.820 -0.059 0.000 1.909 287 A HA 0.061 4.381 4.320 0.000 0.000 0.209 287 A C 2.047 179.594 177.584 -0.062 0.000 1.247 287 A CA 0.265 52.269 52.037 -0.055 0.000 0.660 287 A CB -0.214 18.752 19.000 -0.057 0.000 0.910 287 A HN 0.049 nan 8.150 nan 0.000 0.465 288 M N -0.372 119.181 119.600 -0.078 0.000 2.082 288 M HA -0.183 4.297 4.480 0.000 0.000 0.258 288 M C 2.254 178.493 176.300 -0.101 0.000 1.069 288 M CA 1.855 57.100 55.300 -0.090 0.000 1.102 288 M CB -0.496 32.035 32.600 -0.115 0.000 1.336 288 M HN 0.534 nan 8.290 nan 0.000 0.404 289 L N 0.196 121.352 121.223 -0.111 0.000 2.129 289 L HA -0.283 4.057 4.340 0.000 0.000 0.212 289 L C 2.491 179.323 176.870 -0.064 0.000 1.087 289 L CA 1.577 56.353 54.840 -0.108 0.000 0.757 289 L CB -0.263 41.741 42.059 -0.091 0.000 0.896 289 L HN 0.317 nan 8.230 nan 0.000 0.434 290 Q N 0.045 119.815 119.800 -0.050 0.000 2.167 290 Q HA -0.214 4.126 4.340 0.000 0.000 0.202 290 Q C 1.674 177.659 176.000 -0.024 0.000 0.970 290 Q CA 2.009 57.793 55.803 -0.031 0.000 0.855 290 Q CB -0.183 28.538 28.738 -0.028 0.000 0.911 290 Q HN 0.545 nan 8.270 nan 0.000 0.438 291 D N 0.174 120.556 120.400 -0.030 0.000 2.084 291 D HA -0.162 4.478 4.640 0.000 0.000 0.194 291 D C 1.898 178.196 176.300 -0.004 0.000 0.990 291 D CA 1.427 55.417 54.000 -0.016 0.000 0.826 291 D CB -0.289 40.500 40.800 -0.018 0.000 0.971 291 D HN 0.360 nan 8.370 nan 0.000 0.453 292 I N 1.339 121.903 120.570 -0.010 0.000 2.300 292 I HA -0.319 3.851 4.170 0.000 0.000 0.252 292 I C 2.442 178.571 176.117 0.020 0.000 1.119 292 I CA 1.056 62.365 61.300 0.016 0.000 1.384 292 I CB -0.205 37.794 38.000 -0.002 0.000 1.062 292 I HN -0.056 nan 8.210 nan 0.000 0.426 293 A N 0.432 123.256 122.820 0.006 0.000 1.855 293 A HA -0.181 4.139 4.320 0.000 0.000 0.215 293 A C 2.377 179.970 177.584 0.015 0.000 1.191 293 A CA 2.325 54.369 52.037 0.013 0.000 0.613 293 A CB -1.097 17.905 19.000 0.004 0.000 0.829 293 A HN 0.363 nan 8.150 nan 0.000 0.442 294 T N 0.743 115.303 114.554 0.009 0.000 2.720 294 T HA -0.134 4.216 4.350 0.000 0.000 0.268 294 T C 1.828 176.536 174.700 0.013 0.000 1.037 294 T CA 1.291 63.396 62.100 0.009 0.000 1.144 294 T CB -0.355 68.516 68.868 0.003 0.000 0.864 294 T HN 0.295 nan 8.240 nan 0.000 0.444 295 L N 2.168 123.401 121.223 0.016 0.000 2.131 295 L HA -0.055 4.285 4.340 0.000 0.000 0.210 295 L C 1.845 178.729 176.870 0.023 0.000 1.092 295 L CA 2.172 57.024 54.840 0.020 0.000 0.759 295 L CB -1.241 40.835 42.059 0.028 0.000 0.903 295 L HN 0.459 nan 8.230 nan 0.000 0.435 296 T N -3.777 110.794 114.554 0.029 0.000 3.248 296 T HA 0.365 4.715 4.350 0.000 0.000 0.271 296 T C 1.035 175.756 174.700 0.036 0.000 1.005 296 T CA 0.127 62.246 62.100 0.033 0.000 0.902 296 T CB -0.327 68.568 68.868 0.044 0.000 1.102 296 T HN 0.519 nan 8.240 nan 0.000 0.548 297 G N 0.207 109.024 108.800 0.030 0.000 2.386 297 G HA2 0.139 4.099 3.960 0.000 0.000 0.295 297 G HA3 0.139 4.099 3.960 0.000 0.000 0.295 297 G C 0.382 175.307 174.900 0.042 0.000 0.979 297 G CA 0.008 45.127 45.100 0.032 0.000 1.193 297 G HN 1.140 nan 8.290 nan 0.000 0.508 298 G N -1.543 107.279 108.800 0.037 0.000 3.135 298 G HA2 0.923 4.883 3.960 0.000 0.000 0.278 298 G HA3 0.923 4.883 3.960 0.000 0.000 0.278 298 G C -0.667 174.247 174.900 0.023 0.000 1.302 298 G CA 0.298 45.422 45.100 0.038 0.000 0.880 298 G HN 0.835 nan 8.290 nan 0.000 0.574 299 T N -0.439 114.126 114.554 0.019 0.000 2.916 299 T HA 0.521 4.871 4.350 0.000 0.000 0.305 299 T C -0.617 174.087 174.700 0.006 0.000 1.119 299 T CA -0.367 61.739 62.100 0.009 0.000 1.008 299 T CB 1.961 70.833 68.868 0.007 0.000 1.129 299 T HN 0.425 nan 8.240 nan 0.000 0.480 300 V N 2.874 122.788 119.914 0.000 0.000 2.583 300 V HA 0.386 4.506 4.120 0.000 0.000 0.287 300 V C 0.017 176.109 176.094 -0.003 0.000 1.051 300 V CA -0.437 61.860 62.300 -0.004 0.000 1.010 300 V CB 0.676 32.493 31.823 -0.010 0.000 0.988 300 V HN 0.725 nan 8.190 nan 0.000 0.478 301 I N 5.009 125.577 120.570 -0.003 0.000 2.412 301 I HA 0.328 4.498 4.170 0.000 0.000 0.279 301 I C 0.298 176.413 176.117 -0.002 0.000 1.063 301 I CA 0.060 61.359 61.300 -0.002 0.000 1.193 301 I CB 0.924 38.923 38.000 -0.001 0.000 1.370 301 I HN 0.726 nan 8.210 nan 0.000 0.479 302 S N 2.694 118.392 115.700 -0.003 0.000 2.621 302 S HA 0.455 4.925 4.470 0.000 0.000 0.302 302 S C 0.452 175.051 174.600 -0.000 0.000 1.093 302 S CA -0.826 57.373 58.200 -0.002 0.000 1.017 302 S CB 2.151 65.348 63.200 -0.004 0.000 1.077 302 S HN 0.553 nan 8.310 nan 0.000 0.517 303 E N 0.330 120.531 120.200 0.001 0.000 2.442 303 E HA -0.013 4.337 4.350 0.000 0.000 0.195 303 E C 1.065 177.666 176.600 0.001 0.000 1.030 303 E CA 0.303 56.705 56.400 0.002 0.000 0.869 303 E CB -0.019 29.683 29.700 0.004 0.000 0.857 303 E HN 0.746 nan 8.360 nan 0.000 0.505 304 E N 0.461 120.662 120.200 0.000 0.000 2.338 304 E HA -0.090 4.260 4.350 0.000 0.000 0.197 304 E C 1.424 178.023 176.600 -0.001 0.000 1.007 304 E CA 0.689 57.089 56.400 -0.000 0.000 0.849 304 E CB 0.156 29.855 29.700 -0.001 0.000 0.774 304 E HN 0.341 nan 8.360 nan 0.000 0.506 305 I N -0.905 119.664 120.570 -0.001 0.000 4.154 305 I HA 0.190 4.360 4.170 0.000 0.000 0.334 305 I C 0.879 176.996 176.117 -0.001 0.000 1.371 305 I CA 0.031 61.330 61.300 -0.002 0.000 1.110 305 I CB 0.985 38.984 38.000 -0.002 0.000 1.085 305 I HN 0.096 nan 8.210 nan 0.000 0.398 306 G N 2.157 110.957 108.800 -0.000 0.000 2.165 306 G HA2 -0.229 3.731 3.960 0.000 0.000 0.226 306 G HA3 -0.229 3.731 3.960 0.000 0.000 0.226 306 G C -0.010 174.889 174.900 -0.001 0.000 1.035 306 G CA -0.333 44.767 45.100 -0.000 0.000 0.744 306 G HN 0.240 nan 8.290 nan 0.000 0.501 307 M N 0.276 119.876 119.600 -0.001 0.000 2.300 307 M HA 0.522 5.002 4.480 0.000 0.000 0.348 307 M C 0.214 176.513 176.300 -0.001 0.000 1.151 307 M CA -0.214 55.085 55.300 -0.002 0.000 1.046 307 M CB 1.470 34.068 32.600 -0.002 0.000 1.647 307 M HN 0.221 nan 8.290 nan 0.000 0.451 308 E N 2.038 122.237 120.200 -0.002 0.000 2.227 308 E HA 0.328 4.678 4.350 0.000 0.000 0.268 308 E C 0.205 176.803 176.600 -0.003 0.000 0.907 308 E CA -0.562 55.837 56.400 -0.001 0.000 0.786 308 E CB 2.238 31.937 29.700 -0.001 0.000 1.191 308 E HN 0.682 nan 8.360 nan 0.000 0.411 309 L N 1.604 122.826 121.223 -0.002 0.000 2.456 309 L HA -0.141 4.199 4.340 0.000 0.000 0.224 309 L C 1.428 178.294 176.870 -0.007 0.000 1.148 309 L CA 0.900 55.737 54.840 -0.004 0.000 0.825 309 L CB -0.200 41.860 42.059 0.001 0.000 0.937 309 L HN 0.521 nan 8.230 nan 0.000 0.450 310 E N 0.350 120.547 120.200 -0.006 0.000 2.158 310 E HA -0.057 4.293 4.350 0.000 0.000 0.191 310 E C 0.633 177.226 176.600 -0.012 0.000 0.982 310 E CA 0.804 57.199 56.400 -0.008 0.000 0.823 310 E CB 0.127 29.824 29.700 -0.005 0.000 0.766 310 E HN 0.258 nan 8.360 nan 0.000 0.468 311 K N 0.727 121.121 120.400 -0.010 0.000 2.765 311 K HA 0.526 4.847 4.320 0.000 0.000 0.246 311 K C -0.935 175.656 176.600 -0.015 0.000 1.254 311 K CA -0.239 56.041 56.287 -0.012 0.000 1.219 311 K CB 0.974 33.469 32.500 -0.008 0.000 1.747 311 K HN -0.052 nan 8.250 nan 0.000 0.372 312 A N 1.134 123.942 122.820 -0.021 0.000 2.442 312 A HA 0.351 4.671 4.320 0.000 0.000 0.284 312 A C 0.218 177.776 177.584 -0.043 0.000 1.058 312 A CA -0.761 51.260 52.037 -0.027 0.000 0.738 312 A CB 0.730 19.715 19.000 -0.025 0.000 1.242 312 A HN 0.381 nan 8.150 nan 0.000 0.421 313 T N 0.062 114.589 114.554 -0.045 0.000 3.018 313 T HA 0.477 4.827 4.350 0.000 0.000 0.338 313 T C 1.079 175.717 174.700 -0.103 0.000 1.208 313 T CA -0.158 61.903 62.100 -0.064 0.000 0.963 313 T CB 0.040 68.880 68.868 -0.046 0.000 1.697 313 T HN 0.383 nan 8.240 nan 0.000 0.560 314 L N -0.027 121.117 121.223 -0.132 0.000 2.567 314 L HA 0.266 4.606 4.340 0.000 0.000 0.225 314 L C 2.760 179.573 176.870 -0.095 0.000 1.119 314 L CA 0.503 55.207 54.840 -0.227 0.000 0.871 314 L CB -0.360 41.514 42.059 -0.308 0.000 1.036 314 L HN 0.797 nan 8.230 nan 0.000 0.459 315 E N 0.516 120.694 120.200 -0.036 0.000 2.170 315 E HA -0.164 4.186 4.350 0.000 0.000 0.191 315 E C 0.941 177.551 176.600 0.018 0.000 0.981 315 E CA 0.729 57.136 56.400 0.011 0.000 0.830 315 E CB 0.337 30.042 29.700 0.007 0.000 0.775 315 E HN 0.395 nan 8.360 nan 0.000 0.470 316 D N 0.394 120.793 120.400 -0.002 0.000 2.363 316 D HA -0.003 4.637 4.640 0.000 0.000 0.226 316 D C -0.214 176.096 176.300 0.017 0.000 1.020 316 D CA 0.310 54.313 54.000 0.005 0.000 0.892 316 D CB 0.242 41.038 40.800 -0.006 0.000 0.900 316 D HN 0.116 nan 8.370 nan 0.000 0.531 317 L N 0.354 121.593 121.223 0.028 0.000 2.343 317 L HA 0.394 4.734 4.340 0.000 0.000 0.275 317 L C 1.290 178.243 176.870 0.137 0.000 1.056 317 L CA -0.519 54.363 54.840 0.070 0.000 0.804 317 L CB 1.419 43.502 42.059 0.041 0.000 1.203 317 L HN -0.175 nan 8.230 nan 0.000 0.440 318 G N 1.114 109.991 108.800 0.129 0.000 2.599 318 G HA2 0.479 4.439 3.960 0.000 0.000 0.264 318 G HA3 0.479 4.439 3.960 0.000 0.000 0.264 318 G C -0.986 174.003 174.900 0.147 0.000 1.200 318 G CA -0.167 45.001 45.100 0.113 0.000 0.896 318 G HN 0.602 nan 8.290 nan 0.000 0.536 319 Q N -1.006 118.838 119.800 0.073 0.000 2.378 319 Q HA 0.549 4.889 4.340 0.000 0.000 0.262 319 Q C -1.121 174.860 176.000 -0.032 0.000 0.978 319 Q CA -0.716 55.085 55.803 -0.004 0.000 0.918 319 Q CB 1.792 30.507 28.738 -0.039 0.000 1.415 319 Q HN 0.976 nan 8.270 nan 0.000 0.409 320 A N 2.589 125.372 122.820 -0.061 0.000 2.524 320 A HA 0.599 4.919 4.320 0.000 0.000 0.286 320 A C -0.801 176.740 177.584 -0.072 0.000 1.203 320 A CA -0.647 51.361 52.037 -0.047 0.000 0.736 320 A CB 1.593 20.580 19.000 -0.022 0.000 1.322 320 A HN 0.757 nan 8.150 nan 0.000 0.424 321 K N -0.515 119.854 120.400 -0.053 0.000 2.387 321 K HA 0.305 4.625 4.320 0.000 0.000 0.198 321 K C -0.014 176.559 176.600 -0.045 0.000 1.022 321 K CA 0.351 56.605 56.287 -0.054 0.000 1.128 321 K CB 0.332 32.807 32.500 -0.041 0.000 0.853 321 K HN 0.514 nan 8.250 nan 0.000 0.523 322 R N -0.034 120.442 120.500 -0.041 0.000 4.584 322 R HA 0.035 4.375 4.340 0.000 0.000 0.251 322 R C -2.183 174.099 176.300 -0.031 0.000 0.957 322 R CA -0.477 55.604 56.100 -0.032 0.000 1.195 322 R CB 0.736 31.020 30.300 -0.027 0.000 1.233 322 R HN -0.013 nan 8.270 nan 0.000 0.630 323 V N 0.247 120.144 119.914 -0.028 0.000 2.932 323 V HA 0.888 5.008 4.120 0.000 0.000 0.307 323 V C -1.231 174.842 176.094 -0.034 0.000 1.147 323 V CA -0.717 61.561 62.300 -0.037 0.000 0.951 323 V CB 2.201 34.005 31.823 -0.032 0.000 1.031 323 V HN 0.426 nan 8.190 nan 0.000 0.426 324 V N 4.557 124.439 119.914 -0.053 0.000 2.864 324 V HA 0.701 4.821 4.120 0.000 0.000 0.314 324 V C -0.361 175.694 176.094 -0.066 0.000 1.073 324 V CA -0.501 61.775 62.300 -0.040 0.000 0.956 324 V CB 1.983 33.784 31.823 -0.036 0.000 1.023 324 V HN 1.084 nan 8.190 nan 0.000 0.435 325 I N 0.137 120.691 120.570 -0.026 0.000 2.576 325 I HA 0.505 4.675 4.170 0.000 0.000 0.279 325 I C -0.107 176.003 176.117 -0.013 0.000 1.114 325 I CA -0.577 60.697 61.300 -0.043 0.000 1.076 325 I CB 1.155 39.149 38.000 -0.011 0.000 1.212 325 I HN 0.435 nan 8.210 nan 0.000 0.472 326 N N 4.585 123.229 118.700 -0.092 0.000 2.255 326 N HA 0.005 4.745 4.740 0.000 0.000 0.260 326 N C 1.047 176.290 175.510 -0.445 0.000 1.288 326 N CA -0.040 52.934 53.050 -0.126 0.000 0.894 326 N CB 0.728 39.153 38.487 -0.103 0.000 1.033 326 N HN 0.679 nan 8.380 nan 0.000 0.477 327 K N 0.370 120.498 120.400 -0.453 0.000 2.148 327 K HA -0.153 4.167 4.320 0.000 0.000 0.204 327 K C -0.319 175.911 176.600 -0.617 0.000 1.050 327 K CA 1.785 57.609 56.287 -0.771 0.000 0.942 327 K CB 0.010 32.364 32.500 -0.243 0.000 0.724 327 K HN 0.607 nan 8.250 nan 0.000 0.446 328 D N -1.103 119.101 120.400 -0.326 0.000 2.822 328 D HA 0.102 4.742 4.640 0.000 0.000 0.327 328 D C -1.137 175.087 176.300 -0.127 0.000 1.577 328 D CA -0.481 53.405 54.000 -0.189 0.000 0.785 328 D CB 0.859 41.596 40.800 -0.105 0.000 1.199 328 D HN -0.158 nan 8.370 nan 0.000 0.443 329 T N -0.110 114.346 114.554 -0.164 0.000 3.293 329 T HA 0.466 4.816 4.350 0.000 0.000 0.320 329 T C -0.423 174.149 174.700 -0.213 0.000 0.995 329 T CA -0.452 61.558 62.100 -0.150 0.000 1.041 329 T CB 1.943 70.744 68.868 -0.112 0.000 1.058 329 T HN -0.051 nan 8.240 nan 0.000 0.453 330 T N 1.747 116.089 114.554 -0.355 0.000 2.884 330 T HA 0.821 5.171 4.350 0.000 0.000 0.277 330 T C -0.059 174.325 174.700 -0.527 0.000 0.976 330 T CA -0.575 61.226 62.100 -0.499 0.000 0.956 330 T CB 1.485 69.827 68.868 -0.876 0.000 1.113 330 T HN 0.718 nan 8.240 nan 0.000 0.554 331 T N 0.860 115.144 114.554 -0.448 0.000 4.242 331 T HA 0.314 4.664 4.350 0.000 0.000 0.422 331 T C -1.608 172.988 174.700 -0.173 0.000 1.136 331 T CA -0.598 61.326 62.100 -0.294 0.000 1.071 331 T CB -0.178 68.579 68.868 -0.186 0.000 1.260 331 T HN 0.455 nan 8.240 nan 0.000 0.453 332 I N 5.781 126.280 120.570 -0.118 0.000 2.353 332 I HA 0.518 4.688 4.170 0.000 0.000 0.293 332 I C 0.003 176.102 176.117 -0.030 0.000 0.992 332 I CA -0.960 60.315 61.300 -0.042 0.000 1.268 332 I CB 1.442 39.455 38.000 0.022 0.000 1.387 332 I HN 0.564 nan 8.210 nan 0.000 0.478 333 I N 5.393 125.946 120.570 -0.027 0.000 2.389 333 I HA 0.216 4.386 4.170 0.000 0.000 0.288 333 I C -0.657 175.449 176.117 -0.019 0.000 0.999 333 I CA -0.528 60.757 61.300 -0.024 0.000 1.129 333 I CB 1.425 39.408 38.000 -0.028 0.000 1.288 333 I HN 0.611 nan 8.210 nan 0.000 0.444 334 D N 4.651 125.043 120.400 -0.014 0.000 4.597 334 D HA -0.117 4.523 4.640 0.000 0.000 0.234 334 D C -0.216 176.077 176.300 -0.012 0.000 1.052 334 D CA 1.200 55.192 54.000 -0.012 0.000 1.265 334 D CB 0.187 40.977 40.800 -0.016 0.000 0.738 334 D HN 0.814 nan 8.370 nan 0.000 0.372 335 G N 1.639 110.436 108.800 -0.004 0.000 2.454 335 G HA2 0.505 4.465 3.960 0.000 0.000 0.329 335 G HA3 0.505 4.465 3.960 0.000 0.000 0.329 335 G C 1.172 176.071 174.900 -0.002 0.000 1.177 335 G CA -0.413 44.686 45.100 -0.001 0.000 0.951 335 G HN 0.457 nan 8.290 nan 0.000 0.485 336 V N 1.184 121.098 119.914 -0.001 0.000 2.720 336 V HA -0.006 4.114 4.120 0.000 0.000 0.256 336 V C 2.175 178.274 176.094 0.008 0.000 1.082 336 V CA 1.118 63.419 62.300 0.002 0.000 1.101 336 V CB -1.269 30.559 31.823 0.008 0.000 0.693 336 V HN 0.849 nan 8.190 nan 0.000 0.479 337 G N 1.216 110.023 108.800 0.011 0.000 2.187 337 G HA2 -0.033 3.927 3.960 0.000 0.000 0.239 337 G HA3 -0.033 3.927 3.960 0.000 0.000 0.239 337 G C -0.067 174.838 174.900 0.007 0.000 1.200 337 G CA -0.082 45.025 45.100 0.011 0.000 0.888 337 G HN 0.582 nan 8.290 nan 0.000 0.482 338 E N 1.829 122.034 120.200 0.007 0.000 2.331 338 E HA 0.067 4.417 4.350 0.000 0.000 0.272 338 E C 0.673 177.275 176.600 0.004 0.000 1.036 338 E CA -0.235 56.168 56.400 0.005 0.000 0.864 338 E CB 1.336 31.039 29.700 0.006 0.000 1.035 338 E HN 0.655 nan 8.360 nan 0.000 0.408 339 E N 1.339 121.540 120.200 0.002 0.000 2.527 339 E HA -0.160 4.190 4.350 0.000 0.000 0.204 339 E C 0.961 177.562 176.600 0.001 0.000 1.132 339 E CA 0.213 56.613 56.400 0.001 0.000 0.905 339 E CB 0.001 29.701 29.700 0.000 0.000 0.875 339 E HN 0.500 nan 8.360 nan 0.000 0.548 340 A N 1.193 124.014 122.820 0.002 0.000 1.884 340 A HA 0.231 4.551 4.320 0.000 0.000 0.212 340 A C 2.291 179.875 177.584 0.001 0.000 1.265 340 A CA 0.742 52.780 52.037 0.001 0.000 0.626 340 A CB -0.415 18.587 19.000 0.002 0.000 0.943 340 A HN 0.279 nan 8.150 nan 0.000 0.466 341 A N -0.495 122.326 122.820 0.002 0.000 2.121 341 A HA 0.110 4.430 4.320 0.000 0.000 0.218 341 A C 1.951 179.536 177.584 0.001 0.000 1.154 341 A CA 1.165 53.203 52.037 0.002 0.000 0.679 341 A CB -0.558 18.444 19.000 0.003 0.000 0.795 341 A HN 0.494 nan 8.150 nan 0.000 0.458 342 I N -1.649 118.922 120.570 0.002 0.000 2.429 342 I HA -0.133 4.037 4.170 0.000 0.000 0.247 342 I C 2.538 178.655 176.117 -0.001 0.000 1.099 342 I CA 1.156 62.457 61.300 0.001 0.000 1.422 342 I CB -0.156 37.846 38.000 0.003 0.000 1.112 342 I HN 0.294 nan 8.210 nan 0.000 0.430 343 Q N 1.262 121.062 119.800 -0.001 0.000 2.364 343 Q HA -0.071 4.269 4.340 0.000 0.000 0.207 343 Q C 1.861 177.859 176.000 -0.003 0.000 0.970 343 Q CA 1.565 57.367 55.803 -0.002 0.000 0.888 343 Q CB -0.296 28.441 28.738 -0.002 0.000 0.951 343 Q HN 0.472 nan 8.270 nan 0.000 0.469 344 G N -0.578 108.220 108.800 -0.002 0.000 2.459 344 G HA2 -0.178 3.782 3.960 0.000 0.000 0.213 344 G HA3 -0.178 3.782 3.960 0.000 0.000 0.213 344 G C 1.519 176.416 174.900 -0.005 0.000 1.155 344 G CA 0.393 45.491 45.100 -0.003 0.000 0.811 344 G HN 0.281 nan 8.290 nan 0.000 0.534 345 R N 0.519 121.017 120.500 -0.005 0.000 2.115 345 R HA 0.037 4.377 4.340 0.000 0.000 0.230 345 R C 2.358 178.653 176.300 -0.008 0.000 1.111 345 R CA 1.215 57.311 56.100 -0.007 0.000 0.976 345 R CB -0.695 29.602 30.300 -0.006 0.000 0.870 345 R HN 0.206 nan 8.270 nan 0.000 0.445 346 V N 0.562 120.472 119.914 -0.007 0.000 2.358 346 V HA -0.134 3.986 4.120 0.000 0.000 0.246 346 V C 2.322 178.411 176.094 -0.009 0.000 1.047 346 V CA 1.775 64.070 62.300 -0.008 0.000 1.035 346 V CB -0.852 30.967 31.823 -0.006 0.000 0.658 346 V HN 0.509 nan 8.190 nan 0.000 0.452 347 A N -0.724 122.091 122.820 -0.007 0.000 1.933 347 A HA -0.269 4.051 4.320 0.000 0.000 0.218 347 A C 2.189 179.768 177.584 -0.009 0.000 1.175 347 A CA 1.811 53.844 52.037 -0.007 0.000 0.628 347 A CB -0.424 18.573 19.000 -0.006 0.000 0.814 347 A HN 0.625 nan 8.150 nan 0.000 0.444 348 Q N -0.640 119.154 119.800 -0.009 0.000 2.119 348 Q HA -0.042 4.298 4.340 0.000 0.000 0.201 348 Q C 1.919 177.911 176.000 -0.014 0.000 0.972 348 Q CA 1.445 57.241 55.803 -0.011 0.000 0.847 348 Q CB -0.236 28.496 28.738 -0.011 0.000 0.903 348 Q HN 0.755 nan 8.270 nan 0.000 0.433 349 I N -0.139 120.422 120.570 -0.015 0.000 2.617 349 I HA -0.154 4.016 4.170 0.000 0.000 0.256 349 I C 2.368 178.474 176.117 -0.018 0.000 1.167 349 I CA 0.507 61.796 61.300 -0.019 0.000 1.469 349 I CB -0.107 37.880 38.000 -0.021 0.000 1.098 349 I HN 0.071 nan 8.210 nan 0.000 0.436 350 R N 0.895 121.386 120.500 -0.014 0.000 2.152 350 R HA -0.150 4.190 4.340 0.000 0.000 0.232 350 R C 2.202 178.494 176.300 -0.012 0.000 1.117 350 R CA 1.310 57.402 56.100 -0.013 0.000 0.981 350 R CB 0.023 30.317 30.300 -0.010 0.000 0.870 350 R HN 0.404 nan 8.270 nan 0.000 0.451 351 Q N -0.863 118.930 119.800 -0.012 0.000 2.250 351 Q HA -0.050 4.290 4.340 0.000 0.000 0.200 351 Q C 1.748 177.741 176.000 -0.012 0.000 0.941 351 Q CA 0.500 56.297 55.803 -0.011 0.000 0.872 351 Q CB 0.395 29.128 28.738 -0.009 0.000 0.965 351 Q HN 0.371 nan 8.270 nan 0.000 0.480 352 Q N 0.404 120.195 119.800 -0.015 0.000 2.248 352 Q HA -0.169 4.171 4.340 0.000 0.000 0.208 352 Q C 1.915 177.905 176.000 -0.018 0.000 0.984 352 Q CA 1.124 56.917 55.803 -0.018 0.000 0.875 352 Q CB -0.159 28.565 28.738 -0.023 0.000 0.910 352 Q HN 0.506 nan 8.270 nan 0.000 0.433 353 I N 0.715 121.274 120.570 -0.018 0.000 2.617 353 I HA -0.175 3.995 4.170 0.000 0.000 0.256 353 I C 2.000 178.111 176.117 -0.011 0.000 1.167 353 I CA 0.620 61.910 61.300 -0.017 0.000 1.469 353 I CB -0.191 37.799 38.000 -0.018 0.000 1.098 353 I HN 0.074 nan 8.210 nan 0.000 0.436 354 E N 1.477 121.671 120.200 -0.010 0.000 2.072 354 E HA -0.155 4.195 4.350 0.000 0.000 0.190 354 E C 1.172 177.769 176.600 -0.005 0.000 0.982 354 E CA 1.021 57.417 56.400 -0.007 0.000 0.803 354 E CB -0.296 29.400 29.700 -0.006 0.000 0.755 354 E HN 0.581 nan 8.360 nan 0.000 0.453 355 E N 1.147 121.343 120.200 -0.006 0.000 2.301 355 E HA 0.252 4.602 4.350 0.000 0.000 0.195 355 E C -0.238 176.360 176.600 -0.003 0.000 1.171 355 E CA -0.306 56.091 56.400 -0.004 0.000 1.142 355 E CB 0.226 29.922 29.700 -0.005 0.000 1.218 355 E HN 0.078 nan 8.360 nan 0.000 0.448 356 A N 1.243 124.061 122.820 -0.003 0.000 2.409 356 A HA 0.147 4.467 4.320 0.000 0.000 0.267 356 A C 1.261 178.847 177.584 0.005 0.000 1.127 356 A CA -0.193 51.844 52.037 -0.001 0.000 0.795 356 A CB 0.147 19.145 19.000 -0.003 0.000 1.061 356 A HN 0.282 nan 8.150 nan 0.000 0.502 357 T N -0.888 113.672 114.554 0.010 0.000 3.001 357 T HA 0.360 4.710 4.350 0.000 0.000 0.251 357 T C 0.657 175.369 174.700 0.020 0.000 1.040 357 T CA 0.595 62.702 62.100 0.013 0.000 0.985 357 T CB -0.047 68.828 68.868 0.012 0.000 1.011 357 T HN 0.778 nan 8.240 nan 0.000 0.509 358 S N -0.765 114.953 115.700 0.029 0.000 2.618 358 S HA 0.415 4.885 4.470 0.000 0.000 0.277 358 S C -0.393 174.239 174.600 0.053 0.000 1.138 358 S CA -0.581 57.646 58.200 0.046 0.000 0.844 358 S CB 1.698 64.938 63.200 0.067 0.000 1.127 358 S HN 0.061 nan 8.310 nan 0.000 0.474 359 D N 0.587 121.028 120.400 0.068 0.000 2.183 359 D HA -0.023 4.617 4.640 0.000 0.000 0.203 359 D C 1.194 177.551 176.300 0.096 0.000 0.969 359 D CA 1.104 55.143 54.000 0.066 0.000 0.842 359 D CB -0.117 40.722 40.800 0.065 0.000 0.957 359 D HN 0.578 nan 8.370 nan 0.000 0.484 360 Y N 2.159 122.457 120.300 -0.005 0.000 2.092 360 Y HA -0.190 4.360 4.550 0.000 0.000 0.282 360 Y C 1.678 177.570 175.900 -0.014 0.000 1.126 360 Y CA 1.745 59.841 58.100 -0.007 0.000 1.111 360 Y CB -0.468 37.988 38.460 -0.007 0.000 0.987 360 Y HN -0.168 nan 8.280 nan 0.000 0.489 361 D N -0.426 120.022 120.400 0.081 0.000 2.220 361 D HA -0.242 4.398 4.640 0.000 0.000 0.198 361 D C 2.227 178.482 176.300 -0.076 0.000 1.001 361 D CA 1.724 55.712 54.000 -0.020 0.000 0.875 361 D CB -0.201 40.616 40.800 0.029 0.000 0.921 361 D HN 0.291 nan 8.370 nan 0.000 0.454 362 R N 0.387 120.857 120.500 -0.049 0.000 2.064 362 R HA -0.120 4.220 4.340 0.000 0.000 0.228 362 R C 1.967 178.215 176.300 -0.087 0.000 1.144 362 R CA 1.102 57.172 56.100 -0.050 0.000 0.932 362 R CB 0.072 30.360 30.300 -0.020 0.000 0.833 362 R HN 0.061 nan 8.270 nan 0.000 0.429 363 E N 1.169 121.305 120.200 -0.106 0.000 2.045 363 E HA -0.252 4.098 4.350 0.000 0.000 0.212 363 E C 1.664 178.166 176.600 -0.162 0.000 1.039 363 E CA 1.418 57.742 56.400 -0.126 0.000 0.860 363 E CB -0.337 29.273 29.700 -0.149 0.000 0.776 363 E HN 0.212 nan 8.360 nan 0.000 0.467 364 K N 0.604 120.839 120.400 -0.274 0.000 2.589 364 K HA -0.062 4.258 4.320 0.000 0.000 0.195 364 K C 2.036 178.546 176.600 -0.149 0.000 1.040 364 K CA 0.482 56.623 56.287 -0.244 0.000 0.950 364 K CB -0.259 32.023 32.500 -0.363 0.000 0.781 364 K HN 0.269 nan 8.250 nan 0.000 0.486 365 L N -0.660 120.493 121.223 -0.117 0.000 2.500 365 L HA 0.025 4.365 4.340 0.000 0.000 0.219 365 L C 2.054 178.890 176.870 -0.057 0.000 1.057 365 L CA 0.246 55.039 54.840 -0.078 0.000 0.854 365 L CB -0.071 41.950 42.059 -0.065 0.000 1.078 365 L HN 0.096 nan 8.230 nan 0.000 0.480 366 Q N 0.113 119.879 119.800 -0.057 0.000 2.297 366 Q HA -0.146 4.194 4.340 0.000 0.000 0.204 366 Q C 1.686 177.664 176.000 -0.036 0.000 0.962 366 Q CA 0.994 56.773 55.803 -0.040 0.000 0.879 366 Q CB 0.208 28.925 28.738 -0.035 0.000 0.947 366 Q HN 0.499 nan 8.270 nan 0.000 0.462 367 E N 0.528 120.700 120.200 -0.047 0.000 2.051 367 E HA -0.079 4.271 4.350 0.000 0.000 0.189 367 E C 2.023 178.607 176.600 -0.027 0.000 0.979 367 E CA 0.313 56.692 56.400 -0.036 0.000 0.803 367 E CB 0.103 29.776 29.700 -0.047 0.000 0.761 367 E HN 0.181 nan 8.360 nan 0.000 0.451 368 R N 0.701 121.178 120.500 -0.038 0.000 2.105 368 R HA -0.148 4.192 4.340 0.000 0.000 0.239 368 R C 2.568 178.857 176.300 -0.019 0.000 1.135 368 R CA 1.622 57.704 56.100 -0.030 0.000 0.967 368 R CB -0.373 29.901 30.300 -0.043 0.000 0.861 368 R HN 0.206 nan 8.270 nan 0.000 0.442 369 V N -2.442 117.459 119.914 -0.021 0.000 2.302 369 V HA -0.025 4.095 4.120 0.000 0.000 0.243 369 V C 2.353 178.442 176.094 -0.009 0.000 1.036 369 V CA 1.447 63.739 62.300 -0.015 0.000 1.020 369 V CB -1.245 30.567 31.823 -0.017 0.000 0.657 369 V HN 0.210 nan 8.190 nan 0.000 0.453 370 A N 1.064 123.878 122.820 -0.010 0.000 1.859 370 A HA -0.325 3.995 4.320 0.000 0.000 0.218 370 A C 2.319 179.903 177.584 -0.001 0.000 1.209 370 A CA 2.943 54.976 52.037 -0.006 0.000 0.639 370 A CB -0.938 18.057 19.000 -0.008 0.000 0.835 370 A HN 0.627 nan 8.150 nan 0.000 0.450 371 K N -1.377 119.026 120.400 0.005 0.000 2.218 371 K HA -0.124 4.196 4.320 0.000 0.000 0.205 371 K C 1.713 178.324 176.600 0.017 0.000 1.046 371 K CA 1.422 57.719 56.287 0.016 0.000 0.933 371 K CB -0.242 32.278 32.500 0.034 0.000 0.728 371 K HN 0.405 nan 8.250 nan 0.000 0.454 372 L N -0.788 120.441 121.223 0.011 0.000 2.477 372 L HA 0.121 4.461 4.340 0.000 0.000 0.220 372 L C 1.693 178.566 176.870 0.004 0.000 1.106 372 L CA 0.760 55.606 54.840 0.010 0.000 0.851 372 L CB 0.263 42.325 42.059 0.005 0.000 0.994 372 L HN 0.026 nan 8.230 nan 0.000 0.462 373 A N -1.309 121.512 122.820 0.001 0.000 1.963 373 A HA 0.346 4.666 4.320 0.000 0.000 0.207 373 A C 1.818 179.401 177.584 -0.002 0.000 1.243 373 A CA 0.517 52.553 52.037 -0.002 0.000 0.728 373 A CB -0.673 18.325 19.000 -0.004 0.000 0.895 373 A HN 0.318 nan 8.150 nan 0.000 0.467 374 G N 0.252 109.050 108.800 -0.003 0.000 3.474 374 G HA2 0.419 4.379 3.960 0.000 0.000 0.269 374 G HA3 0.419 4.379 3.960 0.000 0.000 0.269 374 G C 1.047 175.944 174.900 -0.005 0.000 1.339 374 G CA 0.618 45.715 45.100 -0.005 0.000 1.258 374 G HN 0.795 nan 8.290 nan 0.000 0.560 375 G N 0.180 108.978 108.800 -0.003 0.000 2.998 375 G HA2 -0.225 3.735 3.960 0.000 0.000 0.855 375 G HA3 -0.225 3.735 3.960 0.000 0.000 0.855 375 G C 0.138 175.033 174.900 -0.008 0.000 1.032 375 G CA 1.073 46.171 45.100 -0.003 0.000 0.804 375 G HN 0.960 nan 8.290 nan 0.000 0.970 376 V N -0.631 119.276 119.914 -0.011 0.000 2.971 376 V HA 0.712 4.832 4.120 0.000 0.000 0.309 376 V C 0.391 176.475 176.094 -0.018 0.000 1.130 376 V CA -0.371 61.918 62.300 -0.018 0.000 0.964 376 V CB 1.666 33.476 31.823 -0.022 0.000 1.029 376 V HN 1.439 nan 8.190 nan 0.000 0.427 377 A N 2.532 125.339 122.820 -0.021 0.000 2.310 377 A HA 0.845 5.165 4.320 0.000 0.000 0.299 377 A C -0.772 176.800 177.584 -0.020 0.000 1.147 377 A CA -0.500 51.525 52.037 -0.019 0.000 0.818 377 A CB 1.269 20.257 19.000 -0.021 0.000 1.096 377 A HN 0.814 nan 8.150 nan 0.000 0.495 378 V N 4.065 123.969 119.914 -0.017 0.000 2.482 378 V HA 0.317 4.437 4.120 0.000 0.000 0.295 378 V C -0.661 175.426 176.094 -0.012 0.000 1.026 378 V CA -0.111 62.180 62.300 -0.016 0.000 0.856 378 V CB 1.385 33.199 31.823 -0.015 0.000 1.001 378 V HN 0.751 nan 8.190 nan 0.000 0.424 379 I N 5.442 126.005 120.570 -0.012 0.000 2.328 379 I HA 0.415 4.585 4.170 0.000 0.000 0.287 379 I C 0.111 176.225 176.117 -0.006 0.000 1.012 379 I CA -0.541 60.754 61.300 -0.008 0.000 1.195 379 I CB 1.206 39.201 38.000 -0.008 0.000 1.350 379 I HN 0.440 nan 8.210 nan 0.000 0.464 380 K N 6.180 126.577 120.400 -0.005 0.000 2.266 380 K HA 0.369 4.689 4.320 0.000 0.000 0.274 380 K C -0.297 176.302 176.600 -0.002 0.000 1.090 380 K CA -0.574 55.712 56.287 -0.003 0.000 0.925 380 K CB 1.268 33.765 32.500 -0.004 0.000 1.225 380 K HN 0.345 nan 8.250 nan 0.000 0.458 381 V N 2.447 122.362 119.914 0.000 0.000 3.083 381 V HA -0.131 3.989 4.120 0.000 0.000 0.303 381 V C 1.665 177.760 176.094 0.001 0.000 1.151 381 V CA 0.492 62.793 62.300 0.002 0.000 1.275 381 V CB 0.145 31.970 31.823 0.004 0.000 0.950 381 V HN 0.954 nan 8.190 nan 0.000 0.506 382 G N 1.283 110.084 108.800 0.002 0.000 2.393 382 G HA2 0.509 4.469 3.960 0.000 0.000 0.268 382 G HA3 0.509 4.469 3.960 0.000 0.000 0.268 382 G C 0.121 175.022 174.900 0.002 0.000 1.472 382 G CA 0.485 45.585 45.100 0.001 0.000 1.059 382 G HN 1.381 nan 8.290 nan 0.000 0.555 383 A N -3.564 119.257 122.820 0.002 0.000 5.519 383 A HA 0.837 5.157 4.320 0.000 0.000 0.158 383 A C 0.044 177.629 177.584 0.002 0.000 0.860 383 A CA 0.760 52.798 52.037 0.002 0.000 1.134 383 A CB -0.301 18.699 19.000 0.001 0.000 2.248 383 A HN 2.572 nan 8.150 nan 0.000 1.056 384 A N -0.617 122.204 122.820 0.002 0.000 3.033 384 A HA 0.579 4.899 4.320 0.000 0.000 0.262 384 A C 1.012 178.597 177.584 0.002 0.000 1.301 384 A CA 1.154 53.191 52.037 0.002 0.000 0.727 384 A CB -2.607 16.394 19.000 0.002 0.000 1.094 384 A HN 3.571 nan 8.150 nan 0.000 0.374 385 T N -2.166 112.389 114.554 0.002 0.000 0.541 385 T HA -0.086 4.264 4.350 0.000 0.000 0.774 385 T C 0.381 175.083 174.700 0.003 0.000 0.992 385 T CA 1.500 63.601 62.100 0.002 0.000 4.077 385 T CB -1.038 67.832 68.868 0.002 0.000 2.303 385 T HN 1.892 nan 8.240 nan 0.000 0.398 386 E N 0.962 121.164 120.200 0.003 0.000 2.058 386 E HA -0.125 4.225 4.350 0.000 0.000 0.194 386 E C 2.192 178.795 176.600 0.005 0.000 0.997 386 E CA 2.067 58.469 56.400 0.004 0.000 0.801 386 E CB -0.183 29.520 29.700 0.004 0.000 0.746 386 E HN 0.646 nan 8.360 nan 0.000 0.450 387 V N 1.373 121.290 119.914 0.004 0.000 2.332 387 V HA -0.274 3.846 4.120 0.000 0.000 0.248 387 V C 2.068 178.165 176.094 0.005 0.000 1.055 387 V CA 2.255 64.558 62.300 0.005 0.000 1.038 387 V CB -0.531 31.294 31.823 0.004 0.000 0.651 387 V HN 0.310 nan 8.190 nan 0.000 0.450 388 E N -0.802 119.401 120.200 0.004 0.000 2.158 388 E HA -0.136 4.214 4.350 0.000 0.000 0.191 388 E C 2.192 178.795 176.600 0.005 0.000 0.982 388 E CA 0.871 57.273 56.400 0.004 0.000 0.823 388 E CB -0.195 29.507 29.700 0.003 0.000 0.766 388 E HN 0.422 nan 8.360 nan 0.000 0.468 389 M N 1.255 120.858 119.600 0.004 0.000 2.086 389 M HA -0.142 4.338 4.480 0.000 0.000 0.261 389 M C 1.562 177.865 176.300 0.006 0.000 1.067 389 M CA 1.514 56.817 55.300 0.005 0.000 1.116 389 M CB -0.138 32.464 32.600 0.004 0.000 1.348 389 M HN -0.148 nan 8.290 nan 0.000 0.407 390 K N 0.127 120.531 120.400 0.007 0.000 2.439 390 K HA -0.107 4.213 4.320 0.000 0.000 0.197 390 K C 1.735 178.340 176.600 0.008 0.000 1.041 390 K CA 0.752 57.044 56.287 0.008 0.000 0.970 390 K CB -0.192 32.313 32.500 0.008 0.000 0.773 390 K HN 0.594 nan 8.250 nan 0.000 0.479 391 E N 0.970 121.174 120.200 0.007 0.000 2.166 391 E HA -0.072 4.278 4.350 0.000 0.000 0.192 391 E C 1.873 178.478 176.600 0.008 0.000 0.967 391 E CA 0.450 56.854 56.400 0.007 0.000 0.840 391 E CB 0.287 29.990 29.700 0.006 0.000 0.795 391 E HN 0.078 nan 8.360 nan 0.000 0.470 392 K N 1.161 121.566 120.400 0.007 0.000 2.062 392 K HA -0.153 4.167 4.320 0.000 0.000 0.205 392 K C 2.238 178.844 176.600 0.010 0.000 1.051 392 K CA 1.166 57.458 56.287 0.008 0.000 0.941 392 K CB 0.015 32.519 32.500 0.006 0.000 0.719 392 K HN -0.088 nan 8.250 nan 0.000 0.440 393 K N 0.363 120.769 120.400 0.010 0.000 2.059 393 K HA -0.226 4.094 4.320 0.000 0.000 0.212 393 K C 1.905 178.516 176.600 0.017 0.000 1.050 393 K CA 1.626 57.920 56.287 0.012 0.000 0.927 393 K CB -0.222 32.285 32.500 0.012 0.000 0.714 393 K HN 0.212 nan 8.250 nan 0.000 0.447 394 A N 1.433 124.263 122.820 0.016 0.000 1.845 394 A HA -0.162 4.158 4.320 0.000 0.000 0.215 394 A C 2.062 179.659 177.584 0.021 0.000 1.195 394 A CA 1.664 53.712 52.037 0.019 0.000 0.616 394 A CB -0.591 18.417 19.000 0.013 0.000 0.832 394 A HN 0.380 nan 8.150 nan 0.000 0.443 395 R N -0.631 119.879 120.500 0.016 0.000 2.211 395 R HA -0.101 4.239 4.340 0.000 0.000 0.240 395 R C 1.919 178.232 176.300 0.023 0.000 1.144 395 R CA 1.287 57.397 56.100 0.017 0.000 0.992 395 R CB -0.572 29.735 30.300 0.012 0.000 0.869 395 R HN 0.425 nan 8.270 nan 0.000 0.462 396 V N 1.038 120.966 119.914 0.023 0.000 2.283 396 V HA -0.206 3.914 4.120 0.000 0.000 0.243 396 V C 1.988 178.106 176.094 0.040 0.000 1.039 396 V CA 1.728 64.043 62.300 0.024 0.000 1.016 396 V CB -0.350 31.483 31.823 0.017 0.000 0.650 396 V HN 0.318 nan 8.190 nan 0.000 0.449 397 E N 0.476 120.707 120.200 0.052 0.000 2.049 397 E HA -0.269 4.081 4.350 0.000 0.000 0.198 397 E C 2.299 178.987 176.600 0.147 0.000 1.007 397 E CA 1.568 58.026 56.400 0.097 0.000 0.809 397 E CB -0.430 29.329 29.700 0.098 0.000 0.749 397 E HN 0.584 nan 8.360 nan 0.000 0.450 398 A N 1.393 124.266 122.820 0.088 0.000 1.908 398 A HA -0.184 4.136 4.320 0.000 0.000 0.218 398 A C 2.362 180.000 177.584 0.089 0.000 1.181 398 A CA 1.962 54.039 52.037 0.068 0.000 0.627 398 A CB -0.775 18.239 19.000 0.023 0.000 0.818 398 A HN 0.315 nan 8.150 nan 0.000 0.445 399 A N -0.265 122.593 122.820 0.063 0.000 1.832 399 A HA 0.012 4.332 4.320 0.000 0.000 0.214 399 A C 2.131 179.749 177.584 0.057 0.000 1.200 399 A CA 1.746 53.813 52.037 0.050 0.000 0.610 399 A CB -0.937 18.081 19.000 0.030 0.000 0.842 399 A HN 0.963 nan 8.150 nan 0.000 0.444 400 L N -0.289 120.961 121.223 0.045 0.000 2.010 400 L HA -0.296 4.044 4.340 0.000 0.000 0.219 400 L C 2.266 179.144 176.870 0.015 0.000 1.077 400 L CA 2.833 57.681 54.840 0.013 0.000 0.773 400 L CB -1.219 40.832 42.059 -0.014 0.000 0.892 400 L HN 0.576 nan 8.230 nan 0.000 0.436 401 H N -0.136 118.934 119.070 -0.000 0.000 2.355 401 H HA -0.213 4.343 4.556 0.000 0.000 0.293 401 H C 2.081 177.411 175.328 0.003 0.000 1.060 401 H CA 2.277 58.325 56.048 0.001 0.000 1.167 401 H CB -0.647 29.116 29.762 0.002 0.000 1.376 401 H HN 0.534 nan 8.280 nan 0.000 0.549 402 A N 0.023 122.948 122.820 0.176 0.000 1.997 402 A HA -0.231 4.089 4.320 0.000 0.000 0.221 402 A C 2.683 180.301 177.584 0.058 0.000 1.172 402 A CA 2.393 54.486 52.037 0.093 0.000 0.645 402 A CB -1.044 17.993 19.000 0.062 0.000 0.813 402 A HN 0.532 nan 8.150 nan 0.000 0.454 403 T N -0.903 113.678 114.554 0.045 0.000 2.643 403 T HA -0.147 4.203 4.350 0.000 0.000 0.264 403 T C 2.170 176.878 174.700 0.013 0.000 1.045 403 T CA 1.340 63.453 62.100 0.022 0.000 1.155 403 T CB -0.271 68.604 68.868 0.012 0.000 0.863 403 T HN 0.366 nan 8.240 nan 0.000 0.420 404 R N 1.284 121.784 120.500 0.001 0.000 2.133 404 R HA -0.105 4.235 4.340 0.000 0.000 0.245 404 R C 2.419 178.723 176.300 0.006 0.000 1.137 404 R CA 1.959 58.051 56.100 -0.012 0.000 0.947 404 R CB -1.222 29.051 30.300 -0.046 0.000 0.865 404 R HN 0.451 nan 8.270 nan 0.000 0.437 405 A N -0.478 122.358 122.820 0.026 0.000 2.216 405 A HA 0.064 4.384 4.320 0.000 0.000 0.214 405 A C 2.049 179.647 177.584 0.023 0.000 1.160 405 A CA 1.516 53.573 52.037 0.032 0.000 0.725 405 A CB -0.259 18.774 19.000 0.054 0.000 0.784 405 A HN 0.430 nan 8.150 nan 0.000 0.472 406 A N -0.959 121.872 122.820 0.019 0.000 1.942 406 A HA 0.235 4.555 4.320 0.000 0.000 0.209 406 A C 2.014 179.604 177.584 0.010 0.000 1.214 406 A CA 0.983 53.029 52.037 0.015 0.000 0.686 406 A CB -0.570 18.440 19.000 0.015 0.000 0.871 406 A HN 0.279 nan 8.150 nan 0.000 0.460 407 V N 0.716 120.634 119.914 0.007 0.000 2.324 407 V HA -0.325 3.795 4.120 0.000 0.000 0.250 407 V C 2.400 178.496 176.094 0.004 0.000 1.060 407 V CA 2.518 64.820 62.300 0.003 0.000 1.042 407 V CB -0.867 30.956 31.823 -0.001 0.000 0.650 407 V HN 0.617 nan 8.190 nan 0.000 0.450 408 E N -0.090 120.113 120.200 0.005 0.000 2.006 408 E HA -0.163 4.187 4.350 0.000 0.000 0.192 408 E C 1.549 178.152 176.600 0.005 0.000 0.993 408 E CA 1.395 57.797 56.400 0.005 0.000 0.808 408 E CB -0.042 29.662 29.700 0.006 0.000 0.764 408 E HN 0.658 nan 8.360 nan 0.000 0.449 409 E N -0.297 119.907 120.200 0.006 0.000 2.685 409 E HA 0.255 4.605 4.350 0.000 0.000 0.208 409 E C 0.084 176.688 176.600 0.006 0.000 0.996 409 E CA 0.003 56.406 56.400 0.005 0.000 1.054 409 E CB 1.286 30.988 29.700 0.002 0.000 1.075 409 E HN 0.322 nan 8.360 nan 0.000 0.460 410 G N 1.004 109.809 108.800 0.008 0.000 2.642 410 G HA2 -0.236 3.724 3.960 0.000 0.000 0.231 410 G HA3 -0.236 3.724 3.960 0.000 0.000 0.231 410 G C -0.281 174.626 174.900 0.011 0.000 1.338 410 G CA -0.358 44.748 45.100 0.009 0.000 0.883 410 G HN 0.634 nan 8.290 nan 0.000 0.570 411 V N -3.079 116.843 119.914 0.012 0.000 3.147 411 V HA 0.977 5.097 4.120 0.000 0.000 0.306 411 V C -0.145 175.958 176.094 0.015 0.000 1.209 411 V CA 0.386 62.695 62.300 0.014 0.000 1.023 411 V CB 1.465 33.297 31.823 0.015 0.000 1.059 411 V HN 2.636 nan 8.190 nan 0.000 0.435 412 V N 2.032 121.956 119.914 0.017 0.000 3.178 412 V HA 0.902 5.022 4.120 0.000 0.000 0.302 412 V C 0.491 176.598 176.094 0.021 0.000 1.262 412 V CA -0.260 62.051 62.300 0.019 0.000 1.030 412 V CB 1.885 33.718 31.823 0.017 0.000 1.074 412 V HN 2.660 nan 8.190 nan 0.000 0.438 413 A N 3.530 126.366 122.820 0.026 0.000 2.500 413 A HA 0.410 4.730 4.320 0.000 0.000 0.286 413 A C 1.056 178.655 177.584 0.025 0.000 1.170 413 A CA 1.064 53.118 52.037 0.030 0.000 0.951 413 A CB -1.375 17.649 19.000 0.039 0.000 0.965 413 A HN 2.072 nan 8.150 nan 0.000 0.551 414 G N 1.395 110.207 108.800 0.021 0.000 2.486 414 G HA2 0.509 4.469 3.960 0.000 0.000 0.272 414 G HA3 0.509 4.469 3.960 0.000 0.000 0.272 414 G C 1.247 176.159 174.900 0.019 0.000 1.426 414 G CA -0.050 45.062 45.100 0.018 0.000 1.058 414 G HN 2.211 nan 8.290 nan 0.000 0.531 415 G N -2.230 106.580 108.800 0.017 0.000 2.249 415 G HA2 0.227 4.187 3.960 0.000 0.000 0.273 415 G HA3 0.227 4.187 3.960 0.000 0.000 0.273 415 G C 1.505 176.415 174.900 0.016 0.000 1.036 415 G CA 1.152 46.264 45.100 0.019 0.000 0.824 415 G HN 2.488 nan 8.290 nan 0.000 0.504 416 G N -2.805 106.001 108.800 0.010 0.000 2.253 416 G HA2 -0.193 3.767 3.960 0.000 0.000 0.251 416 G HA3 -0.193 3.767 3.960 0.000 0.000 0.251 416 G C 1.946 176.850 174.900 0.007 0.000 0.998 416 G CA 1.853 46.955 45.100 0.004 0.000 0.621 416 G HN 2.053 nan 8.290 nan 0.000 0.524 417 V N -0.881 119.042 119.914 0.015 0.000 2.270 417 V HA 0.271 4.391 4.120 0.000 0.000 0.245 417 V C 3.108 179.216 176.094 0.023 0.000 1.043 417 V CA 2.342 64.654 62.300 0.021 0.000 1.014 417 V CB -1.781 30.059 31.823 0.029 0.000 0.645 417 V HN 1.717 nan 8.190 nan 0.000 0.447 418 A N 1.590 124.424 122.820 0.023 0.000 1.899 418 A HA -0.303 4.017 4.320 0.000 0.000 0.230 418 A C 2.278 179.873 177.584 0.018 0.000 1.593 418 A CA 3.223 55.273 52.037 0.021 0.000 0.728 418 A CB -1.148 17.862 19.000 0.017 0.000 0.848 418 A HN 0.628 nan 8.150 nan 0.000 0.490 419 L N -0.972 120.259 121.223 0.014 0.000 2.005 419 L HA -0.170 4.170 4.340 0.000 0.000 0.207 419 L C 2.628 179.506 176.870 0.013 0.000 1.072 419 L CA 1.696 56.543 54.840 0.011 0.000 0.744 419 L CB -0.801 41.262 42.059 0.007 0.000 0.895 419 L HN 0.448 nan 8.230 nan 0.000 0.433 420 I N -0.313 120.265 120.570 0.013 0.000 2.315 420 I HA -0.307 3.863 4.170 0.000 0.000 0.251 420 I C 2.821 178.952 176.117 0.023 0.000 1.125 420 I CA 0.941 62.250 61.300 0.015 0.000 1.392 420 I CB -0.447 37.562 38.000 0.014 0.000 1.065 420 I HN 0.284 nan 8.210 nan 0.000 0.424 421 R N 1.472 121.989 120.500 0.028 0.000 2.082 421 R HA -0.113 4.227 4.340 0.000 0.000 0.228 421 R C 2.194 178.510 176.300 0.026 0.000 1.140 421 R CA 1.872 57.993 56.100 0.035 0.000 0.920 421 R CB -1.127 29.198 30.300 0.041 0.000 0.828 421 R HN 0.100 nan 8.270 nan 0.000 0.430 422 V N 1.250 121.176 119.914 0.021 0.000 2.218 422 V HA -0.342 3.778 4.120 0.000 0.000 0.251 422 V C 2.277 178.378 176.094 0.013 0.000 1.057 422 V CA 2.607 64.916 62.300 0.015 0.000 1.022 422 V CB -1.250 30.579 31.823 0.011 0.000 0.645 422 V HN 0.624 nan 8.190 nan 0.000 0.451 423 A N 0.243 123.070 122.820 0.011 0.000 2.245 423 A HA -0.187 4.133 4.320 0.000 0.000 0.217 423 A C 2.334 179.925 177.584 0.011 0.000 1.171 423 A CA 2.064 54.107 52.037 0.010 0.000 0.688 423 A CB -0.625 18.380 19.000 0.008 0.000 0.781 423 A HN 0.797 nan 8.150 nan 0.000 0.479 424 S N -0.950 114.760 115.700 0.016 0.000 2.478 424 S HA 0.035 4.505 4.470 0.000 0.000 0.222 424 S C 1.680 176.289 174.600 0.015 0.000 1.008 424 S CA 0.750 58.960 58.200 0.017 0.000 0.928 424 S CB -0.033 63.181 63.200 0.025 0.000 0.781 424 S HN 0.625 nan 8.310 nan 0.000 0.518 425 K N 1.417 121.825 120.400 0.014 0.000 2.044 425 K HA 0.266 4.586 4.320 0.000 0.000 0.204 425 K C 1.312 177.916 176.600 0.008 0.000 1.045 425 K CA 0.762 57.056 56.287 0.011 0.000 0.951 425 K CB -0.445 32.062 32.500 0.012 0.000 0.738 425 K HN 0.299 nan 8.250 nan 0.000 0.443 426 L N 1.727 122.954 121.223 0.007 0.000 2.885 426 L HA -0.049 4.291 4.340 0.000 0.000 0.258 426 L C 1.770 178.643 176.870 0.005 0.000 1.146 426 L CA -0.305 54.538 54.840 0.005 0.000 0.922 426 L CB -0.753 41.308 42.059 0.004 0.000 1.138 426 L HN 0.204 nan 8.230 nan 0.000 0.431 427 A N -0.618 122.205 122.820 0.005 0.000 2.172 427 A HA -0.148 4.172 4.320 0.000 0.000 0.216 427 A C 1.775 179.361 177.584 0.003 0.000 1.154 427 A CA 1.230 53.270 52.037 0.005 0.000 0.701 427 A CB -0.163 18.840 19.000 0.006 0.000 0.789 427 A HN 0.394 nan 8.150 nan 0.000 0.465 428 D N -1.185 119.217 120.400 0.003 0.000 2.389 428 D HA 0.098 4.738 4.640 0.000 0.000 0.206 428 D C 0.344 176.645 176.300 0.002 0.000 1.055 428 D CA -0.218 53.783 54.000 0.002 0.000 0.856 428 D CB 0.020 40.821 40.800 0.002 0.000 0.957 428 D HN 0.344 nan 8.370 nan 0.000 0.509 429 L N 2.286 123.510 121.223 0.002 0.000 2.578 429 L HA -0.009 4.331 4.340 0.000 0.000 0.279 429 L C 0.191 177.062 176.870 0.001 0.000 1.227 429 L CA 0.788 55.628 54.840 0.001 0.000 0.900 429 L CB 0.049 42.109 42.059 0.001 0.000 1.144 429 L HN -0.155 nan 8.230 nan 0.000 0.496 430 R N 3.126 123.627 120.500 0.000 0.000 2.855 430 R HA 0.722 5.062 4.340 0.000 0.000 0.266 430 R C -0.230 176.070 176.300 -0.000 0.000 1.034 430 R CA -0.330 55.770 56.100 0.000 0.000 0.944 430 R CB 1.474 31.774 30.300 0.000 0.000 1.219 430 R HN 0.791 nan 8.270 nan 0.000 0.474 431 G N -0.362 108.438 108.800 -0.000 0.000 3.212 431 G HA2 0.220 4.180 3.960 0.000 0.000 0.188 431 G HA3 0.220 4.180 3.960 0.000 0.000 0.188 431 G C 0.029 174.928 174.900 -0.001 0.000 1.254 431 G CA -0.179 44.920 45.100 -0.001 0.000 0.957 431 G HN 0.411 nan 8.290 nan 0.000 0.596 432 Q N -0.370 119.429 119.800 -0.001 0.000 2.204 432 Q HA 0.113 4.453 4.340 0.000 0.000 0.198 432 Q C -0.103 175.896 176.000 -0.001 0.000 0.946 432 Q CA 0.682 56.484 55.803 -0.001 0.000 0.859 432 Q CB 0.146 28.883 28.738 -0.002 0.000 0.946 432 Q HN 0.587 nan 8.270 nan 0.000 0.474 433 N N -1.487 117.212 118.700 -0.001 0.000 2.321 433 N HA 0.402 5.142 4.740 0.000 0.000 0.290 433 N C -0.039 175.470 175.510 -0.001 0.000 1.212 433 N CA -0.022 53.027 53.050 -0.002 0.000 0.767 433 N CB 0.747 39.233 38.487 -0.002 0.000 1.494 433 N HN -0.071 nan 8.380 nan 0.000 0.479 434 A N 0.501 123.320 122.820 -0.001 0.000 1.915 434 A HA -0.260 4.060 4.320 0.000 0.000 0.220 434 A C 1.016 178.599 177.584 -0.001 0.000 1.198 434 A CA 2.088 54.124 52.037 -0.001 0.000 0.647 434 A CB -1.013 17.986 19.000 -0.001 0.000 0.825 434 A HN 0.761 nan 8.150 nan 0.000 0.456 435 D N -1.168 119.231 120.400 -0.001 0.000 2.411 435 D HA -0.063 4.577 4.640 0.000 0.000 0.226 435 D C 1.635 177.935 176.300 -0.001 0.000 0.988 435 D CA 1.011 55.010 54.000 -0.001 0.000 0.938 435 D CB -0.041 40.758 40.800 -0.002 0.000 0.883 435 D HN 0.737 nan 8.370 nan 0.000 0.525 436 Q N -1.038 118.761 119.800 -0.001 0.000 2.342 436 Q HA 0.096 4.436 4.340 0.000 0.000 0.261 436 Q C 1.385 177.385 176.000 -0.000 0.000 0.841 436 Q CA -0.235 55.567 55.803 -0.001 0.000 0.969 436 Q CB 0.540 29.277 28.738 -0.001 0.000 1.136 436 Q HN 0.023 nan 8.270 nan 0.000 0.528 437 N N 0.179 118.879 118.700 -0.000 0.000 2.166 437 N HA -0.119 4.621 4.740 0.000 0.000 0.186 437 N C 1.676 177.186 175.510 0.000 0.000 1.019 437 N CA 1.061 54.111 53.050 0.000 0.000 0.856 437 N CB 0.039 38.526 38.487 0.000 0.000 0.993 437 N HN 0.044 nan 8.380 nan 0.000 0.426 438 V N 0.711 120.625 119.914 0.000 0.000 2.453 438 V HA -0.075 4.045 4.120 0.000 0.000 0.247 438 V C 2.299 178.394 176.094 0.001 0.000 1.048 438 V CA 1.746 64.047 62.300 0.000 0.000 1.049 438 V CB -1.019 30.804 31.823 0.000 0.000 0.672 438 V HN 0.319 nan 8.190 nan 0.000 0.457 439 G N -0.560 108.240 108.800 0.001 0.000 2.535 439 G HA2 -0.150 3.810 3.960 0.000 0.000 0.218 439 G HA3 -0.150 3.810 3.960 0.000 0.000 0.218 439 G C 1.388 176.289 174.900 0.001 0.000 1.122 439 G CA 0.754 45.854 45.100 0.001 0.000 0.769 439 G HN 0.512 nan 8.290 nan 0.000 0.549 440 I N -0.552 120.019 120.570 0.001 0.000 2.726 440 I HA 0.051 4.221 4.170 0.000 0.000 0.243 440 I C 2.387 178.505 176.117 0.002 0.000 1.082 440 I CA 0.165 61.466 61.300 0.001 0.000 1.447 440 I CB -0.109 37.892 38.000 0.001 0.000 1.250 440 I HN -0.162 nan 8.210 nan 0.000 0.453 441 K N 1.005 121.406 120.400 0.002 0.000 2.163 441 K HA -0.195 4.125 4.320 0.000 0.000 0.210 441 K C 2.066 178.667 176.600 0.002 0.000 1.048 441 K CA 1.226 57.514 56.287 0.002 0.000 0.928 441 K CB -1.004 31.497 32.500 0.002 0.000 0.716 441 K HN 0.196 nan 8.250 nan 0.000 0.459 442 V N 1.204 121.119 119.914 0.002 0.000 2.261 442 V HA -0.245 3.875 4.120 0.000 0.000 0.246 442 V C 2.404 178.499 176.094 0.003 0.000 1.047 442 V CA 2.044 64.345 62.300 0.002 0.000 1.015 442 V CB -0.711 31.113 31.823 0.002 0.000 0.642 442 V HN 0.372 nan 8.190 nan 0.000 0.446 443 A N -0.870 121.952 122.820 0.003 0.000 2.070 443 A HA -0.091 4.229 4.320 0.000 0.000 0.220 443 A C 2.131 179.717 177.584 0.003 0.000 1.159 443 A CA 1.503 53.542 52.037 0.003 0.000 0.656 443 A CB -0.362 18.640 19.000 0.003 0.000 0.800 443 A HN 0.542 nan 8.150 nan 0.000 0.453 444 L N -1.589 119.636 121.223 0.003 0.000 2.071 444 L HA -0.010 4.330 4.340 0.000 0.000 0.201 444 L C 2.631 179.503 176.870 0.003 0.000 1.076 444 L CA 1.236 56.078 54.840 0.003 0.000 0.755 444 L CB -0.568 41.494 42.059 0.004 0.000 0.915 444 L HN 0.371 nan 8.230 nan 0.000 0.445 445 R N 0.916 121.418 120.500 0.002 0.000 2.211 445 R HA -0.172 4.168 4.340 0.000 0.000 0.240 445 R C 1.685 177.985 176.300 0.000 0.000 1.144 445 R CA 1.298 57.399 56.100 0.001 0.000 0.992 445 R CB -0.092 30.208 30.300 0.001 0.000 0.869 445 R HN 0.376 nan 8.270 nan 0.000 0.462 446 A N -0.418 122.403 122.820 0.001 0.000 2.307 446 A HA 0.132 4.452 4.320 0.000 0.000 0.218 446 A C 1.437 179.022 177.584 0.002 0.000 1.228 446 A CA -0.029 52.009 52.037 0.002 0.000 0.857 446 A CB 0.074 19.076 19.000 0.003 0.000 0.897 446 A HN 0.318 nan 8.150 nan 0.000 0.495 447 M N -1.483 118.118 119.600 0.002 0.000 2.421 447 M HA 0.125 4.605 4.480 0.000 0.000 0.258 447 M C 1.041 177.341 176.300 -0.000 0.000 1.122 447 M CA 0.389 55.690 55.300 0.002 0.000 1.078 447 M CB 0.204 32.806 32.600 0.004 0.000 1.380 447 M HN 0.330 nan 8.290 nan 0.000 0.499 448 E N 1.122 121.321 120.200 -0.002 0.000 2.511 448 E HA 0.038 4.388 4.350 0.000 0.000 0.196 448 E C 1.734 178.327 176.600 -0.013 0.000 1.066 448 E CA 0.207 56.603 56.400 -0.007 0.000 0.871 448 E CB 0.148 29.844 29.700 -0.007 0.000 0.863 448 E HN 0.458 nan 8.360 nan 0.000 0.520 449 A N 2.104 124.918 122.820 -0.009 0.000 1.826 449 A HA -0.053 4.267 4.320 0.000 0.000 0.214 449 A C -0.382 177.193 177.584 -0.016 0.000 1.212 449 A CA 0.702 52.732 52.037 -0.012 0.000 0.605 449 A CB -1.483 17.513 19.000 -0.006 0.000 0.861 449 A HN 0.077 nan 8.150 nan 0.000 0.447 450 P HA -0.216 nan 4.420 nan 0.000 0.220 450 P C 1.651 178.938 177.300 -0.022 0.000 1.155 450 P CA 1.474 64.567 63.100 -0.011 0.000 0.880 450 P CB -0.062 31.635 31.700 -0.004 0.000 0.790 451 L N -0.800 120.407 121.223 -0.027 0.000 1.993 451 L HA -0.068 4.272 4.340 0.000 0.000 0.206 451 L C 2.409 179.237 176.870 -0.071 0.000 1.074 451 L CA 1.709 56.520 54.840 -0.048 0.000 0.746 451 L CB -0.843 41.187 42.059 -0.048 0.000 0.896 451 L HN -0.295 nan 8.230 nan 0.000 0.435 452 R N -0.956 119.507 120.500 -0.062 0.000 2.228 452 R HA -0.297 4.043 4.340 0.000 0.000 0.259 452 R C 2.229 178.491 176.300 -0.062 0.000 1.183 452 R CA 1.847 57.908 56.100 -0.066 0.000 1.002 452 R CB -0.295 29.979 30.300 -0.043 0.000 0.879 452 R HN 0.485 nan 8.270 nan 0.000 0.467 453 Q N 0.561 120.332 119.800 -0.049 0.000 2.013 453 Q HA -0.006 4.334 4.340 0.000 0.000 0.195 453 Q C 1.876 177.849 176.000 -0.046 0.000 0.974 453 Q CA 1.395 57.174 55.803 -0.039 0.000 0.826 453 Q CB -0.054 28.669 28.738 -0.025 0.000 0.895 453 Q HN 0.329 nan 8.270 nan 0.000 0.448 454 I N 0.010 120.553 120.570 -0.045 0.000 2.315 454 I HA -0.237 3.933 4.170 0.000 0.000 0.251 454 I C 1.904 177.982 176.117 -0.066 0.000 1.125 454 I CA 0.842 62.118 61.300 -0.039 0.000 1.392 454 I CB -0.561 37.424 38.000 -0.025 0.000 1.065 454 I HN 0.020 nan 8.210 nan 0.000 0.424 455 V N 0.861 120.701 119.914 -0.124 0.000 2.913 455 V HA -0.190 3.930 4.120 0.000 0.000 0.260 455 V C 2.192 178.218 176.094 -0.113 0.000 1.098 455 V CA 1.265 63.448 62.300 -0.195 0.000 1.121 455 V CB -0.298 31.353 31.823 -0.286 0.000 0.714 455 V HN 0.366 nan 8.190 nan 0.000 0.487 456 L N 0.170 121.349 121.223 -0.074 0.000 2.298 456 L HA 0.189 4.529 4.340 0.000 0.000 0.209 456 L C 1.804 178.656 176.870 -0.030 0.000 1.084 456 L CA 1.313 56.125 54.840 -0.047 0.000 0.816 456 L CB -0.461 41.575 42.059 -0.038 0.000 0.967 456 L HN 0.256 nan 8.230 nan 0.000 0.460 457 N N -1.237 117.447 118.700 -0.026 0.000 2.567 457 N HA -0.053 4.687 4.740 0.000 0.000 0.195 457 N C 0.605 176.110 175.510 -0.008 0.000 1.242 457 N CA 0.682 53.723 53.050 -0.014 0.000 0.884 457 N CB -0.356 38.124 38.487 -0.011 0.000 1.007 457 N HN 0.374 nan 8.380 nan 0.000 0.450 458 C N -1.615 117.678 119.300 -0.011 0.000 3.525 458 C HA 0.393 4.853 4.460 0.000 0.000 0.289 458 C C 1.618 176.608 174.990 0.000 0.000 1.496 458 C CA -0.359 58.661 59.018 0.003 0.000 1.804 458 C CB -0.414 27.339 27.740 0.022 0.000 2.708 458 C HN 0.473 nan 8.230 nan 0.000 0.642 459 G N 1.789 110.584 108.800 -0.010 0.000 2.180 459 G HA2 -0.213 3.747 3.960 0.000 0.000 0.263 459 G HA3 -0.213 3.747 3.960 0.000 0.000 0.263 459 G C -0.252 174.644 174.900 -0.008 0.000 0.989 459 G CA 0.559 45.654 45.100 -0.007 0.000 0.692 459 G HN 0.570 nan 8.290 nan 0.000 0.526 460 E N 0.918 121.107 120.200 -0.019 0.000 2.156 460 E HA 0.282 4.632 4.350 0.000 0.000 0.279 460 E C 0.433 177.005 176.600 -0.047 0.000 0.965 460 E CA -0.547 55.841 56.400 -0.021 0.000 0.789 460 E CB 0.779 30.468 29.700 -0.019 0.000 1.098 460 E HN 0.575 nan 8.360 nan 0.000 0.397 461 E N 4.236 124.420 120.200 -0.027 0.000 2.757 461 E HA -0.091 4.259 4.350 0.000 0.000 0.238 461 E C -1.564 175.003 176.600 -0.056 0.000 1.057 461 E CA -0.847 55.536 56.400 -0.029 0.000 0.952 461 E CB 0.230 29.925 29.700 -0.009 0.000 0.934 461 E HN 0.206 nan 8.360 nan 0.000 0.518 462 P HA -0.150 nan 4.420 nan 0.000 0.217 462 P C 1.041 178.306 177.300 -0.058 0.000 1.151 462 P CA 0.845 63.891 63.100 -0.090 0.000 0.828 462 P CB 0.299 31.954 31.700 -0.074 0.000 0.788 463 S N -0.314 115.365 115.700 -0.035 0.000 2.390 463 S HA -0.188 4.282 4.470 0.000 0.000 0.234 463 S C 1.919 176.513 174.600 -0.011 0.000 1.063 463 S CA 1.916 60.105 58.200 -0.018 0.000 1.108 463 S CB -1.622 61.572 63.200 -0.010 0.000 0.975 463 S HN -0.006 nan 8.310 nan 0.000 0.442 464 V N 1.220 121.131 119.914 -0.006 0.000 2.284 464 V HA -0.076 4.044 4.120 0.000 0.000 0.236 464 V C 2.348 178.459 176.094 0.029 0.000 1.044 464 V CA 1.241 63.553 62.300 0.019 0.000 1.019 464 V CB -1.005 30.843 31.823 0.040 0.000 0.657 464 V HN 0.364 nan 8.190 nan 0.000 0.465 465 V N 0.734 120.651 119.914 0.004 0.000 2.353 465 V HA -0.400 3.720 4.120 0.000 0.000 0.260 465 V C 2.595 178.690 176.094 0.002 0.000 1.091 465 V CA 2.487 64.778 62.300 -0.016 0.000 1.088 465 V CB -1.350 30.243 31.823 -0.384 0.000 0.672 465 V HN 0.596 nan 8.190 nan 0.000 0.455 466 A N 0.239 123.038 122.820 -0.034 0.000 1.832 466 A HA -0.234 4.086 4.320 0.000 0.000 0.214 466 A C 2.051 179.645 177.584 0.016 0.000 1.204 466 A CA 1.850 53.877 52.037 -0.017 0.000 0.606 466 A CB -0.910 18.073 19.000 -0.028 0.000 0.849 466 A HN 0.607 nan 8.150 nan 0.000 0.445 467 N N -0.546 118.163 118.700 0.015 0.000 2.111 467 N HA -0.195 4.545 4.740 0.000 0.000 0.197 467 N C 1.593 177.122 175.510 0.033 0.000 1.011 467 N CA 2.747 55.810 53.050 0.021 0.000 0.880 467 N CB -0.519 37.978 38.487 0.018 0.000 1.031 467 N HN 0.391 nan 8.380 nan 0.000 0.444 468 T N -0.869 113.711 114.554 0.042 0.000 2.857 468 T HA -0.006 4.344 4.350 0.000 0.000 0.266 468 T C 1.827 176.557 174.700 0.050 0.000 1.048 468 T CA 1.080 63.195 62.100 0.025 0.000 1.139 468 T CB -0.219 68.635 68.868 -0.023 0.000 0.874 468 T HN 0.072 nan 8.240 nan 0.000 0.455 469 V N 1.402 121.351 119.914 0.059 0.000 2.515 469 V HA -0.121 3.999 4.120 0.000 0.000 0.250 469 V C 2.386 178.539 176.094 0.098 0.000 1.058 469 V CA 1.440 63.763 62.300 0.039 0.000 1.064 469 V CB -0.434 31.408 31.823 0.031 0.000 0.675 469 V HN 0.449 nan 8.190 nan 0.000 0.461 470 K N 0.426 120.869 120.400 0.071 0.000 2.062 470 K HA -0.034 4.286 4.320 0.000 0.000 0.205 470 K C 1.995 178.639 176.600 0.073 0.000 1.051 470 K CA 1.206 57.531 56.287 0.064 0.000 0.941 470 K CB -0.552 31.971 32.500 0.038 0.000 0.719 470 K HN 0.530 nan 8.250 nan 0.000 0.440 471 G N 0.689 109.531 108.800 0.069 0.000 2.959 471 G HA2 -0.024 3.936 3.960 0.000 0.000 0.203 471 G HA3 -0.024 3.936 3.960 0.000 0.000 0.203 471 G C 0.435 175.368 174.900 0.055 0.000 1.176 471 G CA 0.629 45.760 45.100 0.052 0.000 0.860 471 G HN 0.370 nan 8.290 nan 0.000 0.507 472 G N -0.452 108.410 108.800 0.104 0.000 3.291 472 G HA2 0.616 4.576 3.960 0.000 0.000 0.173 472 G HA3 0.616 4.576 3.960 0.000 0.000 0.173 472 G C -1.291 173.649 174.900 0.067 0.000 1.099 472 G CA 0.148 45.285 45.100 0.061 0.000 0.794 472 G HN 0.403 nan 8.290 nan 0.000 0.651 473 D N -3.041 117.412 120.400 0.087 0.000 2.913 473 D HA 0.523 5.163 4.640 0.000 0.000 0.293 473 D C 0.384 176.738 176.300 0.090 0.000 1.238 473 D CA 0.681 54.725 54.000 0.074 0.000 0.738 473 D CB 0.360 41.175 40.800 0.025 0.000 1.254 473 D HN 1.966 nan 8.370 nan 0.000 0.429 474 G N 0.152 108.996 108.800 0.073 0.000 2.542 474 G HA2 -0.260 3.701 3.960 0.000 0.000 0.235 474 G HA3 -0.260 3.701 3.960 0.000 0.000 0.235 474 G C -0.210 174.752 174.900 0.104 0.000 1.286 474 G CA 0.025 45.169 45.100 0.073 0.000 0.904 474 G HN 0.789 nan 8.290 nan 0.000 0.577 475 N N 0.005 118.770 118.700 0.107 0.000 2.322 475 N HA 0.186 4.926 4.740 0.000 0.000 0.216 475 N C 0.051 175.659 175.510 0.163 0.000 1.144 475 N CA -0.168 52.946 53.050 0.108 0.000 0.830 475 N CB 0.173 38.706 38.487 0.077 0.000 1.034 475 N HN 0.487 nan 8.380 nan 0.000 0.484 476 Y N 1.435 121.763 120.300 0.047 0.000 2.537 476 Y HA 0.293 4.843 4.550 0.000 0.000 0.339 476 Y C 0.579 176.543 175.900 0.106 0.000 1.066 476 Y CA -0.247 57.893 58.100 0.067 0.000 1.357 476 Y CB -0.006 38.481 38.460 0.045 0.000 1.175 476 Y HN -0.028 nan 8.280 nan 0.000 0.525 477 G N 4.605 113.314 108.800 -0.152 0.000 3.247 477 G HA2 0.306 4.266 3.960 0.000 0.000 0.226 477 G HA3 0.306 4.266 3.960 0.000 0.000 0.226 477 G C -2.192 172.670 174.900 -0.062 0.000 1.220 477 G CA -0.869 44.152 45.100 -0.132 0.000 0.875 477 G HN 0.592 nan 8.290 nan 0.000 0.606 478 Y N 0.886 121.102 120.300 -0.140 0.000 2.346 478 Y HA 0.544 5.094 4.550 0.000 0.000 0.332 478 Y C -0.577 175.195 175.900 -0.214 0.000 0.985 478 Y CA -1.198 56.729 58.100 -0.288 0.000 1.112 478 Y CB 1.758 39.998 38.460 -0.366 0.000 1.170 478 Y HN 0.438 nan 8.280 nan 0.000 0.447 479 N N 4.487 122.921 118.700 -0.444 0.000 2.411 479 N HA 0.195 4.935 4.740 0.000 0.000 0.259 479 N C 0.563 175.888 175.510 -0.308 0.000 1.103 479 N CA 0.776 53.666 53.050 -0.266 0.000 0.954 479 N CB 1.785 40.123 38.487 -0.248 0.000 1.085 479 N HN 0.979 nan 8.380 nan 0.000 0.485 480 A N 4.574 127.413 122.820 0.031 0.000 1.865 480 A HA -0.119 4.201 4.320 0.000 0.000 0.217 480 A C 2.071 179.665 177.584 0.017 0.000 1.191 480 A CA 2.045 54.174 52.037 0.153 0.000 0.623 480 A CB -1.029 18.034 19.000 0.105 0.000 0.826 480 A HN 0.757 nan 8.150 nan 0.000 0.444 481 A N -0.480 122.320 122.820 -0.034 0.000 1.865 481 A HA -0.137 4.183 4.320 0.000 0.000 0.217 481 A C 2.479 180.012 177.584 -0.084 0.000 1.191 481 A CA 2.861 54.871 52.037 -0.045 0.000 0.623 481 A CB -1.486 17.491 19.000 -0.038 0.000 0.826 481 A HN 0.888 nan 8.150 nan 0.000 0.444 482 T N -3.462 111.010 114.554 -0.137 0.000 3.055 482 T HA 0.032 4.382 4.350 0.000 0.000 0.265 482 T C 0.530 175.095 174.700 -0.224 0.000 1.111 482 T CA 1.082 63.089 62.100 -0.155 0.000 1.118 482 T CB -0.395 68.382 68.868 -0.151 0.000 0.909 482 T HN 0.595 nan 8.240 nan 0.000 0.501 483 E N 0.557 120.537 120.200 -0.365 0.000 2.791 483 E HA -0.130 4.220 4.350 0.000 0.000 0.271 483 E C -0.772 175.471 176.600 -0.594 0.000 1.044 483 E CA 0.769 56.883 56.400 -0.477 0.000 0.814 483 E CB -1.150 28.457 29.700 -0.155 0.000 1.400 483 E HN 0.691 nan 8.360 nan 0.000 0.423 484 E N -0.490 119.319 120.200 -0.651 0.000 2.317 484 E HA 0.395 4.745 4.350 0.000 0.000 0.270 484 E C -0.234 176.065 176.600 -0.503 0.000 0.885 484 E CA -0.634 55.502 56.400 -0.440 0.000 0.760 484 E CB 1.003 30.599 29.700 -0.173 0.000 1.227 484 E HN -0.017 nan 8.360 nan 0.000 0.434 485 Y N 0.464 120.645 120.300 -0.198 0.000 2.314 485 Y HA 0.572 5.122 4.550 0.000 0.000 0.359 485 Y C 1.508 177.392 175.900 -0.026 0.000 1.360 485 Y CA 0.804 58.815 58.100 -0.148 0.000 1.697 485 Y CB 0.516 38.919 38.460 -0.096 0.000 1.630 485 Y HN 0.725 nan 8.280 nan 0.000 0.583 486 G N -0.304 108.654 108.800 0.265 0.000 2.325 486 G HA2 -0.127 3.833 3.960 0.000 0.000 0.285 486 G HA3 -0.127 3.833 3.960 0.000 0.000 0.285 486 G C -1.620 173.425 174.900 0.242 0.000 1.303 486 G CA -1.024 44.245 45.100 0.282 0.000 0.970 486 G HN 0.641 nan 8.290 nan 0.000 0.490 487 N N 1.271 120.074 118.700 0.172 0.000 2.399 487 N HA 0.135 4.875 4.740 0.000 0.000 0.259 487 N C 1.911 177.467 175.510 0.077 0.000 1.160 487 N CA -0.414 52.715 53.050 0.131 0.000 0.946 487 N CB 0.568 39.111 38.487 0.094 0.000 1.156 487 N HN 0.437 nan 8.380 nan 0.000 0.489 488 M N 3.399 123.040 119.600 0.068 0.000 2.202 488 M HA -0.167 4.313 4.480 0.000 0.000 0.262 488 M C 1.497 177.816 176.300 0.032 0.000 1.063 488 M CA 0.984 56.307 55.300 0.038 0.000 1.097 488 M CB -0.468 32.154 32.600 0.036 0.000 1.382 488 M HN 0.543 nan 8.290 nan 0.000 0.413 489 I N 0.200 120.793 120.570 0.038 0.000 2.233 489 I HA -0.216 3.954 4.170 0.000 0.000 0.243 489 I C 1.908 178.040 176.117 0.024 0.000 1.093 489 I CA 1.254 62.572 61.300 0.029 0.000 1.380 489 I CB -1.323 36.695 38.000 0.030 0.000 1.067 489 I HN 0.219 nan 8.210 nan 0.000 0.413 490 D N 0.813 121.230 120.400 0.029 0.000 2.117 490 D HA -0.142 4.498 4.640 0.000 0.000 0.197 490 D C 2.194 178.504 176.300 0.016 0.000 0.987 490 D CA 1.116 55.129 54.000 0.023 0.000 0.829 490 D CB -0.154 40.663 40.800 0.028 0.000 0.961 490 D HN 0.287 nan 8.370 nan 0.000 0.460 491 M N -0.349 119.261 119.600 0.016 0.000 2.700 491 M HA 0.040 4.520 4.480 0.000 0.000 0.249 491 M C 1.051 177.352 176.300 0.001 0.000 1.082 491 M CA 0.781 56.084 55.300 0.004 0.000 1.077 491 M CB -0.024 32.574 32.600 -0.003 0.000 1.477 491 M HN 0.093 nan 8.290 nan 0.000 0.529 492 G N 1.946 110.750 108.800 0.007 0.000 2.160 492 G HA2 -0.253 3.707 3.960 0.000 0.000 0.251 492 G HA3 -0.253 3.707 3.960 0.000 0.000 0.251 492 G C 0.017 174.921 174.900 0.005 0.000 1.008 492 G CA -0.186 44.917 45.100 0.006 0.000 0.724 492 G HN 0.536 nan 8.290 nan 0.000 0.514 493 I N 0.849 121.423 120.570 0.007 0.000 2.388 493 I HA 0.569 4.739 4.170 0.000 0.000 0.281 493 I C 0.135 176.260 176.117 0.014 0.000 1.046 493 I CA -0.834 60.471 61.300 0.008 0.000 1.187 493 I CB 0.586 38.589 38.000 0.005 0.000 1.351 493 I HN 0.256 nan 8.210 nan 0.000 0.472 494 L N 3.647 124.879 121.223 0.014 0.000 2.710 494 L HA 0.711 5.051 4.340 0.000 0.000 0.260 494 L C -1.698 175.182 176.870 0.016 0.000 0.993 494 L CA -0.797 54.053 54.840 0.016 0.000 0.877 494 L CB 1.784 43.854 42.059 0.017 0.000 1.461 494 L HN 0.099 nan 8.230 nan 0.000 0.413 495 D N -0.218 120.192 120.400 0.016 0.000 2.619 495 D HA 0.512 5.152 4.640 0.000 0.000 0.241 495 D C -2.817 173.493 176.300 0.018 0.000 1.087 495 D CA -1.258 52.752 54.000 0.017 0.000 0.851 495 D CB 2.214 43.024 40.800 0.016 0.000 1.474 495 D HN 0.350 nan 8.370 nan 0.000 0.478 496 P HA -0.012 nan 4.420 nan 0.000 0.267 496 P C 0.883 178.193 177.300 0.017 0.000 1.201 496 P CA 0.185 63.297 63.100 0.020 0.000 0.775 496 P CB 0.618 32.334 31.700 0.026 0.000 0.854 497 T N 1.094 115.656 114.554 0.013 0.000 2.812 497 T HA -0.142 4.208 4.350 0.000 0.000 0.264 497 T C 1.640 176.344 174.700 0.006 0.000 1.042 497 T CA 1.070 63.175 62.100 0.009 0.000 1.140 497 T CB -0.370 68.501 68.868 0.006 0.000 0.870 497 T HN 0.479 nan 8.240 nan 0.000 0.445 498 K N 0.910 121.315 120.400 0.008 0.000 2.049 498 K HA -0.229 4.091 4.320 0.000 0.000 0.219 498 K C 2.396 179.000 176.600 0.007 0.000 1.056 498 K CA 2.231 58.522 56.287 0.006 0.000 0.946 498 K CB -0.636 31.875 32.500 0.017 0.000 0.723 498 K HN 0.315 nan 8.250 nan 0.000 0.453 499 V N -0.273 119.652 119.914 0.018 0.000 2.295 499 V HA -0.191 3.929 4.120 0.000 0.000 0.246 499 V C 1.768 177.872 176.094 0.016 0.000 1.049 499 V CA 2.550 64.865 62.300 0.024 0.000 1.024 499 V CB -1.043 30.797 31.823 0.028 0.000 0.648 499 V HN 0.419 nan 8.190 nan 0.000 0.447 500 T N 0.119 114.680 114.554 0.012 0.000 2.946 500 T HA -0.142 4.208 4.350 0.000 0.000 0.271 500 T C 1.787 176.486 174.700 -0.001 0.000 1.104 500 T CA 1.947 64.052 62.100 0.009 0.000 1.114 500 T CB -0.373 68.501 68.868 0.009 0.000 0.867 500 T HN 0.697 nan 8.240 nan 0.000 0.513 501 R N 0.858 121.351 120.500 -0.012 0.000 2.046 501 R HA 0.012 4.352 4.340 0.000 0.000 0.223 501 R C 2.622 178.886 176.300 -0.060 0.000 1.179 501 R CA 1.245 57.324 56.100 -0.035 0.000 0.952 501 R CB -0.510 29.765 30.300 -0.042 0.000 0.843 501 R HN 0.141 nan 8.270 nan 0.000 0.439 502 S N 0.965 116.621 115.700 -0.073 0.000 2.393 502 S HA -0.316 4.154 4.470 0.000 0.000 0.235 502 S C 2.054 176.636 174.600 -0.030 0.000 1.061 502 S CA 1.839 59.963 58.200 -0.126 0.000 1.129 502 S CB -0.659 62.537 63.200 -0.008 0.000 1.011 502 S HN 0.616 nan 8.310 nan 0.000 0.436 503 A N 0.805 123.653 122.820 0.047 0.000 1.917 503 A HA -0.136 4.184 4.320 0.000 0.000 0.219 503 A C 2.145 179.759 177.584 0.051 0.000 1.182 503 A CA 1.864 53.948 52.037 0.078 0.000 0.633 503 A CB -0.703 18.328 19.000 0.052 0.000 0.819 503 A HN 0.443 nan 8.150 nan 0.000 0.448 504 L N -0.455 120.774 121.223 0.009 0.000 2.156 504 L HA -0.135 4.205 4.340 0.000 0.000 0.208 504 L C 2.399 179.265 176.870 -0.008 0.000 1.095 504 L CA 2.057 56.898 54.840 0.002 0.000 0.770 504 L CB -0.542 41.511 42.059 -0.009 0.000 0.914 504 L HN 0.521 nan 8.230 nan 0.000 0.439 505 Q N -1.805 117.961 119.800 -0.056 0.000 2.008 505 Q HA -0.158 4.182 4.340 0.000 0.000 0.196 505 Q C 2.189 178.184 176.000 -0.008 0.000 0.973 505 Q CA 1.571 57.320 55.803 -0.090 0.000 0.826 505 Q CB -0.472 28.130 28.738 -0.226 0.000 0.894 505 Q HN 0.408 nan 8.270 nan 0.000 0.439 506 Y N 1.080 121.381 120.300 0.002 0.000 2.193 506 Y HA -0.256 4.294 4.550 0.000 0.000 0.285 506 Y C 2.458 178.359 175.900 0.001 0.000 1.166 506 Y CA 0.971 59.072 58.100 0.002 0.000 1.181 506 Y CB -0.977 37.484 38.460 0.002 0.000 0.976 506 Y HN 0.187 nan 8.280 nan 0.000 0.520 507 A N -0.080 122.839 122.820 0.165 0.000 1.908 507 A HA -0.150 4.170 4.320 0.000 0.000 0.218 507 A C 2.539 180.163 177.584 0.067 0.000 1.181 507 A CA 2.095 54.186 52.037 0.090 0.000 0.627 507 A CB -1.266 17.770 19.000 0.060 0.000 0.818 507 A HN 0.403 nan 8.150 nan 0.000 0.445 508 A N -0.647 122.207 122.820 0.056 0.000 1.877 508 A HA -0.129 4.191 4.320 0.000 0.000 0.216 508 A C 2.456 180.067 177.584 0.046 0.000 1.186 508 A CA 2.335 54.394 52.037 0.037 0.000 0.620 508 A CB -1.232 17.779 19.000 0.020 0.000 0.822 508 A HN 0.681 nan 8.150 nan 0.000 0.443 509 S N -0.567 115.175 115.700 0.070 0.000 2.427 509 S HA -0.224 4.246 4.470 0.000 0.000 0.231 509 S C 1.903 176.536 174.600 0.055 0.000 1.045 509 S CA 2.379 60.624 58.200 0.075 0.000 1.154 509 S CB -0.945 62.337 63.200 0.137 0.000 1.093 509 S HN 0.404 nan 8.310 nan 0.000 0.422 510 V N 2.863 122.812 119.914 0.058 0.000 2.215 510 V HA -0.296 3.824 4.120 0.000 0.000 0.249 510 V C 2.935 179.044 176.094 0.024 0.000 1.054 510 V CA 2.471 64.791 62.300 0.033 0.000 1.012 510 V CB -1.711 30.128 31.823 0.027 0.000 0.639 510 V HN 0.752 nan 8.190 nan 0.000 0.448 511 A N 0.170 123.005 122.820 0.024 0.000 1.954 511 A HA -0.289 4.031 4.320 0.000 0.000 0.222 511 A C 2.344 179.936 177.584 0.014 0.000 1.199 511 A CA 2.747 54.794 52.037 0.017 0.000 0.657 511 A CB -1.544 17.467 19.000 0.017 0.000 0.823 511 A HN 0.673 nan 8.150 nan 0.000 0.463 512 G N -0.205 108.605 108.800 0.017 0.000 2.639 512 G HA2 -0.233 3.727 3.960 0.000 0.000 0.216 512 G HA3 -0.233 3.727 3.960 0.000 0.000 0.216 512 G C 1.512 176.418 174.900 0.010 0.000 1.267 512 G CA 1.190 46.298 45.100 0.013 0.000 0.801 512 G HN 0.501 nan 8.290 nan 0.000 0.592 513 L N -0.201 121.030 121.223 0.013 0.000 2.030 513 L HA -0.283 4.057 4.340 0.000 0.000 0.222 513 L C 3.148 180.020 176.870 0.003 0.000 1.082 513 L CA 1.984 56.829 54.840 0.009 0.000 0.785 513 L CB -0.611 41.455 42.059 0.011 0.000 0.895 513 L HN 0.274 nan 8.230 nan 0.000 0.439 514 M N -0.590 119.012 119.600 0.003 0.000 2.159 514 M HA -0.187 4.293 4.480 0.000 0.000 0.263 514 M C 2.192 178.490 176.300 -0.003 0.000 1.063 514 M CA 1.729 57.028 55.300 -0.002 0.000 1.110 514 M CB -0.328 32.271 32.600 -0.002 0.000 1.374 514 M HN 0.236 nan 8.290 nan 0.000 0.411 515 I N -0.424 120.146 120.570 -0.000 0.000 2.830 515 I HA -0.131 4.039 4.170 0.000 0.000 0.263 515 I C 1.243 177.359 176.117 -0.002 0.000 1.230 515 I CA 0.920 62.219 61.300 -0.001 0.000 1.480 515 I CB -0.561 37.439 38.000 0.001 0.000 1.095 515 I HN 0.319 nan 8.210 nan 0.000 0.455 516 T N -2.583 111.969 114.554 -0.002 0.000 3.313 516 T HA 0.286 4.636 4.350 0.000 0.000 0.263 516 T C 0.187 174.884 174.700 -0.004 0.000 0.983 516 T CA -0.410 61.688 62.100 -0.003 0.000 0.963 516 T CB -0.175 68.692 68.868 -0.002 0.000 1.141 516 T HN -0.109 nan 8.240 nan 0.000 0.526 517 T N 1.450 116.000 114.554 -0.005 0.000 2.829 517 T HA 0.465 4.815 4.350 0.000 0.000 0.280 517 T C 0.260 174.959 174.700 -0.000 0.000 0.999 517 T CA -0.644 61.453 62.100 -0.005 0.000 0.983 517 T CB 2.139 71.000 68.868 -0.012 0.000 0.968 517 T HN 0.093 nan 8.240 nan 0.000 0.446 518 E N 0.331 120.538 120.200 0.011 0.000 2.541 518 E HA 0.192 4.542 4.350 0.000 0.000 0.219 518 E C -0.075 176.598 176.600 0.123 0.000 0.922 518 E CA 0.088 56.507 56.400 0.032 0.000 1.095 518 E CB 0.931 30.622 29.700 -0.014 0.000 1.112 518 E HN 0.554 nan 8.360 nan 0.000 0.516 519 C N 0.934 120.303 119.300 0.114 0.000 2.880 519 C HA 0.687 5.147 4.460 0.000 0.000 0.320 519 C C -1.312 173.700 174.990 0.036 0.000 1.176 519 C CA -0.573 58.578 59.018 0.221 0.000 1.390 519 C CB 0.406 28.355 27.740 0.348 0.000 1.846 519 C HN 0.107 nan 8.230 nan 0.000 0.478 520 M N 5.241 124.787 119.600 -0.090 0.000 2.395 520 M HA 0.558 5.038 4.480 0.000 0.000 0.307 520 M C -1.187 175.054 176.300 -0.098 0.000 1.091 520 M CA -0.632 54.560 55.300 -0.179 0.000 0.919 520 M CB 2.144 34.453 32.600 -0.485 0.000 1.662 520 M HN 0.362 nan 8.290 nan 0.000 0.440 521 V N 1.723 121.656 119.914 0.033 0.000 2.380 521 V HA 0.507 4.627 4.120 0.000 0.000 0.286 521 V C -0.364 175.818 176.094 0.146 0.000 1.015 521 V CA -0.301 62.057 62.300 0.097 0.000 0.834 521 V CB 1.755 33.619 31.823 0.070 0.000 1.009 521 V HN 0.973 nan 8.190 nan 0.000 0.428 522 T N 2.441 117.126 114.554 0.218 0.000 2.887 522 T HA 0.483 4.833 4.350 0.000 0.000 0.292 522 T C -0.529 174.191 174.700 0.035 0.000 1.087 522 T CA -0.474 61.705 62.100 0.131 0.000 1.009 522 T CB 1.786 70.747 68.868 0.154 0.000 1.203 522 T HN 0.632 nan 8.240 nan 0.000 0.518 523 D N 0.947 121.344 120.400 -0.004 0.000 2.354 523 D HA 0.304 4.944 4.640 0.000 0.000 0.238 523 D C -0.282 175.976 176.300 -0.071 0.000 1.250 523 D CA -0.053 53.930 54.000 -0.029 0.000 0.911 523 D CB 0.276 41.059 40.800 -0.027 0.000 1.163 523 D HN 0.180 nan 8.370 nan 0.000 0.456 524 L N 2.381 123.566 121.223 -0.062 0.000 2.350 524 L HA 0.276 4.616 4.340 0.000 0.000 0.275 524 L C -1.760 175.057 176.870 -0.088 0.000 1.099 524 L CA -1.902 52.890 54.840 -0.081 0.000 0.808 524 L CB 0.797 42.824 42.059 -0.054 0.000 1.149 524 L HN 0.317 nan 8.230 nan 0.000 0.442 525 P HA -0.071 nan 4.420 nan 0.000 0.314 525 P C -0.838 176.421 177.300 -0.068 0.000 1.521 525 P CA 0.777 63.817 63.100 -0.100 0.000 0.754 525 P CB -0.238 31.393 31.700 -0.115 0.000 1.692 526 K N 0.000 120.367 120.400 -0.056 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 56.262 56.287 -0.041 0.000 0.838 526 K CB 0.000 32.479 32.500 -0.036 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543