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_T 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 -0.001 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 1.276 124.094 122.820 -0.003 0.000 2.567 3 A HA 0.392 4.712 4.320 0.000 0.000 0.263 3 A C 0.421 178.001 177.584 -0.007 0.000 1.030 3 A CA 0.687 52.722 52.037 -0.004 0.000 0.833 3 A CB -0.694 18.302 19.000 -0.008 0.000 0.924 3 A HN 0.551 nan 8.150 nan 0.000 0.518 4 K N 1.885 122.286 120.400 0.002 0.000 2.109 4 K HA 0.406 4.726 4.320 0.000 0.000 0.243 4 K C -0.576 176.024 176.600 0.001 0.000 1.006 4 K CA -0.636 55.654 56.287 0.005 0.000 0.917 4 K CB 0.926 33.440 32.500 0.024 0.000 1.081 4 K HN 0.729 nan 8.250 nan 0.000 0.468 5 D N 0.341 120.746 120.400 0.008 0.000 2.362 5 D HA 0.407 5.047 4.640 0.000 0.000 0.247 5 D C -1.461 174.896 176.300 0.095 0.000 1.050 5 D CA -0.683 53.326 54.000 0.015 0.000 0.839 5 D CB 1.448 42.213 40.800 -0.058 0.000 1.283 5 D HN 0.045 nan 8.370 nan 0.000 0.477 6 V N 3.896 123.822 119.914 0.019 0.000 2.577 6 V HA 0.449 4.569 4.120 0.000 0.000 0.303 6 V C -0.220 175.648 176.094 -0.376 0.000 1.042 6 V CA -0.751 61.474 62.300 -0.125 0.000 0.872 6 V CB 2.026 33.730 31.823 -0.198 0.000 0.998 6 V HN 0.455 nan 8.190 nan 0.000 0.423 7 K N 3.415 123.525 120.400 -0.483 0.000 2.375 7 K HA 0.817 5.137 4.320 0.000 0.000 0.249 7 K C -1.707 174.523 176.600 -0.617 0.000 0.942 7 K CA -0.498 55.451 56.287 -0.563 0.000 0.806 7 K CB 2.350 34.651 32.500 -0.332 0.000 1.227 7 K HN 0.444 nan 8.250 nan 0.000 0.430 8 F N -0.262 119.644 119.950 -0.073 0.000 2.640 8 F HA 0.583 5.110 4.527 -0.000 0.000 0.324 8 F C 0.910 176.675 175.800 -0.058 0.000 1.077 8 F CA -0.428 57.532 58.000 -0.068 0.000 0.965 8 F CB 1.177 40.154 39.000 -0.038 0.000 1.351 8 F HN 0.769 nan 8.300 nan 0.000 0.487 9 G N 1.283 110.184 108.800 0.169 0.000 2.601 9 G HA2 -0.342 3.618 3.960 0.000 0.000 0.261 9 G HA3 -0.342 3.618 3.960 0.000 0.000 0.261 9 G C 0.827 175.745 174.900 0.030 0.000 1.289 9 G CA 0.449 45.594 45.100 0.075 0.000 0.920 9 G HN 0.830 nan 8.290 nan 0.000 0.571 10 N N 0.273 118.985 118.700 0.021 0.000 2.100 10 N HA -0.274 4.466 4.740 0.000 0.000 0.199 10 N C 1.736 177.242 175.510 -0.006 0.000 1.017 10 N CA 2.274 55.328 53.050 0.007 0.000 0.890 10 N CB -0.383 38.111 38.487 0.012 0.000 1.080 10 N HN 0.689 nan 8.380 nan 0.000 0.525 11 D N 0.732 121.130 120.400 -0.004 0.000 2.303 11 D HA -0.258 4.382 4.640 0.000 0.000 0.190 11 D C 1.843 178.097 176.300 -0.078 0.000 1.011 11 D CA 1.860 55.848 54.000 -0.019 0.000 0.860 11 D CB -0.778 40.014 40.800 -0.014 0.000 0.961 11 D HN 0.426 nan 8.370 nan 0.000 0.453 12 A N 0.024 122.766 122.820 -0.129 0.000 2.042 12 A HA -0.268 4.052 4.320 0.000 0.000 0.222 12 A C 2.122 179.607 177.584 -0.166 0.000 1.167 12 A CA 1.966 53.858 52.037 -0.242 0.000 0.649 12 A CB -0.388 18.511 19.000 -0.169 0.000 0.809 12 A HN 0.187 nan 8.150 nan 0.000 0.457 13 R N -1.090 119.363 120.500 -0.079 0.000 2.062 13 R HA 0.015 4.355 4.340 0.000 0.000 0.218 13 R C 2.233 178.516 176.300 -0.028 0.000 1.161 13 R CA 1.108 57.180 56.100 -0.047 0.000 0.994 13 R CB -0.779 29.506 30.300 -0.024 0.000 0.888 13 R HN 0.507 nan 8.270 nan 0.000 0.442 14 V N 0.917 120.822 119.914 -0.015 0.000 2.428 14 V HA -0.300 3.820 4.120 0.000 0.000 0.255 14 V C 1.884 177.983 176.094 0.009 0.000 1.080 14 V CA 1.709 64.009 62.300 0.000 0.000 1.083 14 V CB -0.537 31.290 31.823 0.007 0.000 0.665 14 V HN 0.150 nan 8.190 nan 0.000 0.461 15 K N -0.063 120.341 120.400 0.007 0.000 2.002 15 K HA -0.024 4.296 4.320 0.000 0.000 0.209 15 K C 2.273 178.893 176.600 0.033 0.000 1.048 15 K CA 2.162 58.477 56.287 0.046 0.000 0.930 15 K CB -0.580 31.973 32.500 0.088 0.000 0.714 15 K HN 0.552 nan 8.250 nan 0.000 0.438 16 M N 0.502 120.100 119.600 -0.003 0.000 2.080 16 M HA -0.214 4.266 4.480 0.000 0.000 0.260 16 M C 2.221 178.525 176.300 0.008 0.000 1.068 16 M CA 1.246 56.546 55.300 0.000 0.000 1.109 16 M CB -0.441 32.146 32.600 -0.022 0.000 1.342 16 M HN 0.070 nan 8.290 nan 0.000 0.405 17 L N 0.787 122.012 121.223 0.003 0.000 1.943 17 L HA -0.224 4.116 4.340 0.000 0.000 0.215 17 L C 2.436 179.312 176.870 0.010 0.000 1.074 17 L CA 2.112 56.956 54.840 0.005 0.000 0.759 17 L CB -1.014 41.047 42.059 0.003 0.000 0.888 17 L HN 0.161 nan 8.230 nan 0.000 0.433 18 R N 0.315 120.823 120.500 0.014 0.000 2.154 18 R HA -0.135 4.205 4.340 0.000 0.000 0.248 18 R C 2.105 178.416 176.300 0.018 0.000 1.155 18 R CA 1.827 57.936 56.100 0.016 0.000 0.979 18 R CB -1.540 28.772 30.300 0.021 0.000 0.869 18 R HN 0.622 nan 8.270 nan 0.000 0.452 19 G N -0.571 108.244 108.800 0.024 0.000 2.408 19 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 19 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 19 G C 1.421 176.330 174.900 0.016 0.000 1.150 19 G CA 1.021 46.136 45.100 0.026 0.000 0.776 19 G HN 0.369 nan 8.290 nan 0.000 0.542 20 V N -1.099 118.822 119.914 0.012 0.000 2.535 20 V HA -0.004 4.116 4.120 0.000 0.000 0.246 20 V C 2.205 178.302 176.094 0.006 0.000 1.045 20 V CA 1.645 63.950 62.300 0.008 0.000 1.058 20 V CB -0.665 31.162 31.823 0.007 0.000 0.689 20 V HN 0.135 nan 8.190 nan 0.000 0.461 21 N N 1.057 119.760 118.700 0.006 0.000 2.247 21 N HA -0.146 4.594 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 54.786 53.050 0.004 0.000 0.872 21 N CB -0.472 38.018 38.487 0.005 0.000 0.980 21 N HN 0.531 nan 8.380 nan 0.000 0.436 22 V N 0.685 120.602 119.914 0.004 0.000 2.256 22 V HA -0.136 3.984 4.120 0.000 0.000 0.240 22 V C 2.328 178.422 176.094 0.000 0.000 1.036 22 V CA 0.864 63.164 62.300 0.002 0.000 1.008 22 V CB -0.624 31.201 31.823 0.002 0.000 0.648 22 V HN 0.183 nan 8.190 nan 0.000 0.453 23 L N 0.773 121.996 121.223 0.001 0.000 2.089 23 L HA -0.212 4.128 4.340 0.000 0.000 0.213 23 L C 2.230 179.099 176.870 -0.002 0.000 1.079 23 L CA 2.527 57.367 54.840 -0.001 0.000 0.758 23 L CB -0.995 41.064 42.059 -0.001 0.000 0.891 23 L HN 0.280 nan 8.230 nan 0.000 0.433 24 A N -0.800 122.020 122.820 -0.000 0.000 1.824 24 A HA -0.171 4.149 4.320 0.000 0.000 0.215 24 A C 1.942 179.525 177.584 -0.002 0.000 1.244 24 A CA 1.386 53.423 52.037 -0.001 0.000 0.604 24 A CB -1.172 17.828 19.000 0.001 0.000 0.900 24 A HN 0.484 nan 8.150 nan 0.000 0.455 25 D N 0.254 120.653 120.400 -0.002 0.000 2.311 25 D HA -0.166 4.474 4.640 0.000 0.000 0.204 25 D C 1.567 177.865 176.300 -0.004 0.000 1.000 25 D CA 1.592 55.590 54.000 -0.003 0.000 0.910 25 D CB -0.283 40.515 40.800 -0.002 0.000 0.900 25 D HN 0.441 nan 8.370 nan 0.000 0.463 26 A N -0.449 122.369 122.820 -0.004 0.000 2.337 26 A HA 0.278 4.598 4.320 0.000 0.000 0.227 26 A C 1.692 179.273 177.584 -0.005 0.000 1.259 26 A CA -0.025 52.010 52.037 -0.005 0.000 0.870 26 A CB 0.564 19.561 19.000 -0.005 0.000 0.927 26 A HN 0.134 nan 8.150 nan 0.000 0.497 27 V N -0.803 119.108 119.914 -0.005 0.000 3.245 27 V HA -0.029 4.091 4.120 0.000 0.000 0.246 27 V C 1.629 177.720 176.094 -0.005 0.000 1.487 27 V CA 0.855 63.152 62.300 -0.005 0.000 1.154 27 V CB 0.005 31.825 31.823 -0.005 0.000 0.971 27 V HN 0.662 nan 8.190 nan 0.000 0.443 28 K N 2.320 122.717 120.400 -0.005 0.000 2.687 28 K HA -0.008 4.312 4.320 0.000 0.000 0.197 28 K C 1.187 177.783 176.600 -0.007 0.000 1.018 28 K CA 1.455 57.739 56.287 -0.006 0.000 1.035 28 K CB -0.204 32.293 32.500 -0.006 0.000 0.834 28 K HN 0.528 nan 8.250 nan 0.000 0.496 29 V N -2.875 117.036 119.914 -0.006 0.000 2.908 29 V HA -0.032 4.088 4.120 0.000 0.000 0.240 29 V C 2.098 178.188 176.094 -0.006 0.000 1.117 29 V CA 0.735 63.031 62.300 -0.007 0.000 1.133 29 V CB -0.251 31.568 31.823 -0.006 0.000 0.857 29 V HN 0.435 nan 8.190 nan 0.000 0.478 30 T N -0.510 114.041 114.554 -0.005 0.000 3.400 30 T HA 0.123 4.473 4.350 0.000 0.000 0.254 30 T C 0.435 175.132 174.700 -0.004 0.000 1.153 30 T CA 0.124 62.222 62.100 -0.005 0.000 1.012 30 T CB -0.968 67.897 68.868 -0.005 0.000 0.994 30 T HN 0.272 nan 8.240 nan 0.000 0.555 31 L N 2.255 123.475 121.223 -0.005 0.000 2.369 31 L HA 0.582 4.922 4.340 0.000 0.000 0.279 31 L C 0.979 177.847 176.870 -0.003 0.000 1.108 31 L CA 1.470 56.307 54.840 -0.004 0.000 0.852 31 L CB -0.367 41.688 42.059 -0.006 0.000 1.169 31 L HN 0.648 nan 8.230 nan 0.000 0.452 32 G N 5.042 113.841 108.800 -0.001 0.000 2.527 32 G HA2 -0.211 3.749 3.960 0.000 0.000 0.227 32 G HA3 -0.211 3.749 3.960 0.000 0.000 0.227 32 G C -2.011 172.891 174.900 0.003 0.000 1.291 32 G CA -0.068 45.033 45.100 0.003 0.000 0.904 32 G HN 0.584 nan 8.290 nan 0.000 0.577 33 P HA 0.230 nan 4.420 nan 0.000 0.226 33 P C 0.887 178.189 177.300 0.004 0.000 1.160 33 P CA 0.790 63.892 63.100 0.004 0.000 0.837 33 P CB 0.246 31.949 31.700 0.005 0.000 0.860 34 K N 1.133 121.538 120.400 0.007 0.000 2.596 34 K HA 0.284 4.604 4.320 0.000 0.000 0.211 34 K C 0.984 177.585 176.600 0.001 0.000 1.046 34 K CA -0.142 56.148 56.287 0.006 0.000 1.202 34 K CB -0.389 32.118 32.500 0.011 0.000 0.925 34 K HN 0.115 nan 8.250 nan 0.000 0.486 35 G N 1.295 110.095 108.800 0.000 0.000 2.483 35 G HA2 0.176 4.136 3.960 0.000 0.000 0.248 35 G HA3 0.176 4.136 3.960 0.000 0.000 0.248 35 G C 0.182 175.081 174.900 -0.002 0.000 1.248 35 G CA -0.471 44.628 45.100 -0.002 0.000 0.838 35 G HN 0.069 nan 8.290 nan 0.000 0.566 36 R N 0.721 121.219 120.500 -0.003 0.000 2.541 36 R HA 0.287 4.627 4.340 0.000 0.000 0.254 36 R C -0.292 176.006 176.300 -0.003 0.000 1.130 36 R CA -0.919 55.180 56.100 -0.003 0.000 1.152 36 R CB 0.081 30.379 30.300 -0.003 0.000 1.222 36 R HN 0.576 nan 8.270 nan 0.000 0.579 37 N N -1.039 117.659 118.700 -0.003 0.000 2.443 37 N HA 0.382 5.122 4.740 0.000 0.000 0.295 37 N C -1.113 174.395 175.510 -0.003 0.000 1.076 37 N CA -0.510 52.538 53.050 -0.003 0.000 0.919 37 N CB 1.744 40.230 38.487 -0.002 0.000 1.176 37 N HN 0.091 nan 8.380 nan 0.000 0.487 38 V N 1.945 121.857 119.914 -0.004 0.000 2.540 38 V HA 0.385 4.505 4.120 0.000 0.000 0.302 38 V C -0.509 175.582 176.094 -0.004 0.000 1.035 38 V CA -0.827 61.470 62.300 -0.005 0.000 0.873 38 V CB 1.772 33.592 31.823 -0.005 0.000 0.992 38 V HN 0.374 nan 8.190 nan 0.000 0.428 39 V N 6.243 126.154 119.914 -0.005 0.000 2.383 39 V HA 0.441 4.561 4.120 0.000 0.000 0.275 39 V C -0.099 175.991 176.094 -0.007 0.000 1.036 39 V CA -0.474 61.824 62.300 -0.005 0.000 0.889 39 V CB 1.226 33.047 31.823 -0.004 0.000 0.985 39 V HN 0.627 nan 8.190 nan 0.000 0.459 40 L N 3.572 124.791 121.223 -0.007 0.000 2.321 40 L HA 0.406 4.746 4.340 0.000 0.000 0.272 40 L C 0.143 177.005 176.870 -0.013 0.000 1.050 40 L CA -0.493 54.341 54.840 -0.010 0.000 0.893 40 L CB 0.862 42.915 42.059 -0.010 0.000 1.272 40 L HN 0.624 nan 8.230 nan 0.000 0.435 41 D N 3.155 123.546 120.400 -0.015 0.000 2.571 41 D HA -0.035 4.605 4.640 0.000 0.000 0.231 41 D C -0.016 176.267 176.300 -0.028 0.000 1.133 41 D CA 1.096 55.085 54.000 -0.019 0.000 0.862 41 D CB 0.888 41.674 40.800 -0.023 0.000 1.179 41 D HN 0.339 nan 8.370 nan 0.000 0.474 42 K N 1.015 121.398 120.400 -0.027 0.000 2.258 42 K HA 0.365 4.685 4.320 0.000 0.000 0.236 42 K C 1.028 177.586 176.600 -0.070 0.000 1.008 42 K CA -0.595 55.669 56.287 -0.038 0.000 0.869 42 K CB 1.231 33.725 32.500 -0.011 0.000 1.171 42 K HN 0.549 nan 8.250 nan 0.000 0.447 43 S N 0.768 116.386 115.700 -0.136 0.000 2.309 43 S HA 0.054 4.524 4.470 0.000 0.000 0.206 43 S C 0.463 174.950 174.600 -0.188 0.000 1.028 43 S CA 0.452 58.484 58.200 -0.279 0.000 0.972 43 S CB -0.338 62.532 63.200 -0.551 0.000 0.961 43 S HN 0.364 nan 8.310 nan 0.000 0.449 44 F N 3.157 123.105 119.950 -0.002 0.000 2.404 44 F HA 0.703 5.230 4.527 -0.000 0.000 0.358 44 F C 1.248 177.047 175.800 -0.002 0.000 1.120 44 F CA 0.050 58.049 58.000 -0.002 0.000 1.144 44 F CB 0.559 39.558 39.000 -0.002 0.000 1.133 44 F HN 0.818 nan 8.300 nan 0.000 0.495 45 G N 1.365 110.278 108.800 0.187 0.000 2.352 45 G HA2 0.367 4.327 3.960 0.000 0.000 0.324 45 G HA3 0.367 4.327 3.960 0.000 0.000 0.324 45 G C -1.413 173.525 174.900 0.062 0.000 1.249 45 G CA -0.594 44.567 45.100 0.101 0.000 1.053 45 G HN 0.901 nan 8.290 nan 0.000 0.492 46 A N 0.582 123.427 122.820 0.042 0.000 2.310 46 A HA 0.853 5.173 4.320 0.000 0.000 0.299 46 A C -1.562 176.033 177.584 0.019 0.000 1.147 46 A CA -0.692 51.361 52.037 0.027 0.000 0.818 46 A CB 0.078 19.091 19.000 0.021 0.000 1.096 46 A HN 0.672 nan 8.150 nan 0.000 0.495 47 P HA 0.147 nan 4.420 nan 0.000 0.270 47 P C -0.264 177.039 177.300 0.005 0.000 1.221 47 P CA 0.361 63.464 63.100 0.005 0.000 0.788 47 P CB 0.333 32.035 31.700 0.002 0.000 0.904 48 T N 1.772 116.327 114.554 0.002 0.000 2.797 48 T HA 0.546 4.896 4.350 0.000 0.000 0.279 48 T C 0.077 174.777 174.700 0.000 0.000 0.991 48 T CA -0.334 61.767 62.100 0.002 0.000 0.979 48 T CB 0.207 69.076 68.868 0.001 0.000 0.943 48 T HN 0.155 nan 8.240 nan 0.000 0.444 49 I N 2.696 123.267 120.570 0.001 0.000 2.362 49 I HA 0.578 4.748 4.170 0.000 0.000 0.289 49 I C 0.399 176.516 176.117 -0.000 0.000 0.994 49 I CA -0.497 60.803 61.300 0.000 0.000 1.158 49 I CB 1.739 39.739 38.000 0.001 0.000 1.315 49 I HN 0.515 nan 8.210 nan 0.000 0.451 50 T N 4.172 118.725 114.554 -0.002 0.000 2.762 50 T HA 0.418 4.768 4.350 0.000 0.000 0.301 50 T C -0.261 174.437 174.700 -0.003 0.000 1.299 50 T CA -0.559 61.539 62.100 -0.002 0.000 1.005 50 T CB 1.836 70.702 68.868 -0.003 0.000 1.377 50 T HN 0.679 nan 8.240 nan 0.000 0.504 51 K N 0.749 121.147 120.400 -0.004 0.000 2.501 51 K HA 0.205 4.525 4.320 0.000 0.000 0.204 51 K C -0.817 175.779 176.600 -0.005 0.000 1.067 51 K CA -0.244 56.041 56.287 -0.004 0.000 1.060 51 K CB 0.615 33.113 32.500 -0.003 0.000 0.873 51 K HN 0.373 nan 8.250 nan 0.000 0.540 52 D N 0.958 121.354 120.400 -0.006 0.000 2.483 52 D HA 0.080 4.720 4.640 0.000 0.000 0.220 52 D C 1.325 177.619 176.300 -0.009 0.000 1.173 52 D CA -0.069 53.926 54.000 -0.008 0.000 0.964 52 D CB 0.603 41.398 40.800 -0.009 0.000 1.046 52 D HN 0.279 nan 8.370 nan 0.000 0.517 53 G N 2.017 110.812 108.800 -0.009 0.000 2.581 53 G HA2 -0.284 3.676 3.960 0.000 0.000 0.223 53 G HA3 -0.284 3.676 3.960 0.000 0.000 0.223 53 G C 1.436 176.330 174.900 -0.010 0.000 1.094 53 G CA 0.943 46.038 45.100 -0.009 0.000 0.736 53 G HN 0.471 nan 8.290 nan 0.000 0.588 54 V N 0.453 120.359 119.914 -0.013 0.000 2.302 54 V HA -0.123 3.997 4.120 0.000 0.000 0.243 54 V C 2.985 179.071 176.094 -0.013 0.000 1.036 54 V CA 2.100 64.391 62.300 -0.015 0.000 1.020 54 V CB -0.575 31.236 31.823 -0.019 0.000 0.657 54 V HN 0.368 nan 8.190 nan 0.000 0.453 55 S N -0.013 115.679 115.700 -0.012 0.000 2.382 55 S HA -0.159 4.311 4.470 0.000 0.000 0.228 55 S C 1.987 176.581 174.600 -0.010 0.000 1.027 55 S CA 1.376 59.570 58.200 -0.010 0.000 0.991 55 S CB -0.194 63.001 63.200 -0.008 0.000 0.823 55 S HN 0.354 nan 8.310 nan 0.000 0.469 56 V N 1.636 121.544 119.914 -0.010 0.000 2.515 56 V HA -0.167 3.953 4.120 0.000 0.000 0.250 56 V C 2.455 178.543 176.094 -0.010 0.000 1.058 56 V CA 1.514 63.808 62.300 -0.009 0.000 1.064 56 V CB -1.079 30.739 31.823 -0.008 0.000 0.675 56 V HN 0.526 nan 8.190 nan 0.000 0.461 57 A N -0.220 122.593 122.820 -0.011 0.000 1.825 57 A HA -0.196 4.124 4.320 0.000 0.000 0.214 57 A C 2.334 179.911 177.584 -0.013 0.000 1.206 57 A CA 1.631 53.661 52.037 -0.012 0.000 0.609 57 A CB -0.664 18.327 19.000 -0.013 0.000 0.851 57 A HN 0.380 nan 8.150 nan 0.000 0.445 58 R N -0.279 120.213 120.500 -0.014 0.000 2.208 58 R HA -0.190 4.150 4.340 0.000 0.000 0.262 58 R C 0.995 177.286 176.300 -0.015 0.000 1.166 58 R CA 1.719 57.809 56.100 -0.015 0.000 0.987 58 R CB -0.319 29.972 30.300 -0.015 0.000 0.887 58 R HN 0.512 nan 8.270 nan 0.000 0.459 59 E N 0.063 120.254 120.200 -0.014 0.000 2.416 59 E HA 0.058 4.408 4.350 0.000 0.000 0.189 59 E C 0.157 176.748 176.600 -0.014 0.000 1.091 59 E CA 0.189 56.580 56.400 -0.015 0.000 0.889 59 E CB 0.159 29.849 29.700 -0.015 0.000 1.015 59 E HN 0.227 nan 8.360 nan 0.000 0.479 60 I N 1.023 121.586 120.570 -0.013 0.000 2.437 60 I HA 0.305 4.475 4.170 0.000 0.000 0.298 60 I C 0.168 176.279 176.117 -0.010 0.000 0.984 60 I CA -0.323 60.970 61.300 -0.011 0.000 1.214 60 I CB 1.437 39.432 38.000 -0.008 0.000 1.365 60 I HN -0.023 nan 8.210 nan 0.000 0.469 61 E N 6.363 126.558 120.200 -0.009 0.000 3.397 61 E HA 0.253 4.603 4.350 0.000 0.000 0.380 61 E C -1.862 174.733 176.600 -0.009 0.000 0.989 61 E CA -0.398 55.997 56.400 -0.008 0.000 0.783 61 E CB 1.046 30.739 29.700 -0.012 0.000 1.334 61 E HN 0.438 nan 8.360 nan 0.000 0.457 62 L N 2.653 123.873 121.223 -0.005 0.000 2.488 62 L HA 0.401 4.741 4.340 0.000 0.000 0.249 62 L C 1.661 178.523 176.870 -0.014 0.000 1.151 62 L CA -0.401 54.435 54.840 -0.007 0.000 0.806 62 L CB 0.575 42.635 42.059 0.001 0.000 1.261 62 L HN 0.727 nan 8.230 nan 0.000 0.484 63 E N 0.221 120.410 120.200 -0.018 0.000 2.024 63 E HA -0.149 4.201 4.350 0.000 0.000 0.190 63 E C 0.440 177.014 176.600 -0.043 0.000 0.974 63 E CA 0.076 56.458 56.400 -0.030 0.000 0.810 63 E CB 0.161 29.843 29.700 -0.029 0.000 0.775 63 E HN 0.678 nan 8.360 nan 0.000 0.453 64 D N 1.366 121.743 120.400 -0.039 0.000 2.433 64 D HA -0.103 4.537 4.640 0.000 0.000 0.274 64 D C 0.659 176.919 176.300 -0.067 0.000 1.344 64 D CA 0.163 54.126 54.000 -0.062 0.000 0.989 64 D CB 0.575 41.362 40.800 -0.023 0.000 1.116 64 D HN 0.109 nan 8.370 nan 0.000 0.533 65 K N 3.387 123.699 120.400 -0.146 0.000 2.184 65 K HA -0.229 4.091 4.320 0.000 0.000 0.210 65 K C 1.691 178.298 176.600 0.012 0.000 1.048 65 K CA 1.333 57.539 56.287 -0.135 0.000 0.931 65 K CB -0.346 31.993 32.500 -0.268 0.000 0.718 65 K HN 0.464 nan 8.250 nan 0.000 0.465 66 F N 1.408 121.345 119.950 -0.021 0.000 2.074 66 F HA -0.022 4.505 4.527 -0.000 0.000 0.290 66 F C 2.467 178.259 175.800 -0.015 0.000 1.118 66 F CA 0.610 58.598 58.000 -0.020 0.000 1.199 66 F CB -1.134 37.851 39.000 -0.025 0.000 1.012 66 F HN 0.088 nan 8.300 nan 0.000 0.472 67 E N 0.264 120.582 120.200 0.197 0.000 2.108 67 E HA -0.352 3.998 4.350 0.000 0.000 0.203 67 E C 1.887 178.530 176.600 0.072 0.000 1.022 67 E CA 1.869 58.328 56.400 0.099 0.000 0.823 67 E CB -0.673 29.063 29.700 0.061 0.000 0.744 67 E HN 0.418 nan 8.360 nan 0.000 0.456 68 N N 0.528 119.265 118.700 0.063 0.000 2.069 68 N HA -0.188 4.552 4.740 0.000 0.000 0.191 68 N C 1.918 177.457 175.510 0.049 0.000 1.031 68 N CA 1.526 54.600 53.050 0.040 0.000 0.852 68 N CB -0.055 38.446 38.487 0.024 0.000 1.018 68 N HN 0.082 nan 8.380 nan 0.000 0.423 69 M N -0.363 119.286 119.600 0.083 0.000 2.089 69 M HA -0.150 4.330 4.480 0.000 0.000 0.257 69 M C 2.194 178.521 176.300 0.044 0.000 1.071 69 M CA 1.946 57.292 55.300 0.076 0.000 1.096 69 M CB -0.857 31.818 32.600 0.126 0.000 1.330 69 M HN 0.426 nan 8.290 nan 0.000 0.403 70 G N -0.264 108.561 108.800 0.042 0.000 2.524 70 G HA2 -0.164 3.796 3.960 0.000 0.000 0.215 70 G HA3 -0.164 3.796 3.960 0.000 0.000 0.215 70 G C 1.521 176.430 174.900 0.016 0.000 1.239 70 G CA 1.037 46.150 45.100 0.020 0.000 0.798 70 G HN 0.570 nan 8.290 nan 0.000 0.557 71 A N -0.631 122.200 122.820 0.018 0.000 2.148 71 A HA -0.116 4.204 4.320 0.000 0.000 0.222 71 A C 2.268 179.855 177.584 0.006 0.000 1.161 71 A CA 1.991 54.034 52.037 0.010 0.000 0.662 71 A CB -0.256 18.750 19.000 0.011 0.000 0.799 71 A HN 0.389 nan 8.150 nan 0.000 0.466 72 Q N -1.427 118.378 119.800 0.010 0.000 2.424 72 Q HA 0.142 4.482 4.340 0.000 0.000 0.204 72 Q C 1.887 177.885 176.000 -0.003 0.000 0.933 72 Q CA 0.609 56.414 55.803 0.003 0.000 0.929 72 Q CB 0.010 28.754 28.738 0.009 0.000 1.037 72 Q HN 0.829 nan 8.270 nan 0.000 0.511 73 M N -0.771 118.828 119.600 -0.000 0.000 2.142 73 M HA -0.086 4.394 4.480 0.000 0.000 0.256 73 M C 2.223 178.515 176.300 -0.014 0.000 1.098 73 M CA 0.958 56.254 55.300 -0.006 0.000 1.151 73 M CB -0.753 31.846 32.600 -0.001 0.000 1.299 73 M HN 0.040 nan 8.290 nan 0.000 0.431 74 V N 1.087 120.997 119.914 -0.007 0.000 2.370 74 V HA -0.333 3.787 4.120 0.000 0.000 0.252 74 V C 2.195 178.278 176.094 -0.018 0.000 1.068 74 V CA 2.503 64.799 62.300 -0.008 0.000 1.061 74 V CB -0.700 31.124 31.823 0.001 0.000 0.656 74 V HN 0.552 nan 8.190 nan 0.000 0.455 75 K N -0.718 119.672 120.400 -0.017 0.000 2.097 75 K HA -0.211 4.109 4.320 0.000 0.000 0.206 75 K C 2.318 178.896 176.600 -0.038 0.000 1.049 75 K CA 1.782 58.056 56.287 -0.022 0.000 0.933 75 K CB -0.279 32.212 32.500 -0.016 0.000 0.717 75 K HN 0.577 nan 8.250 nan 0.000 0.442 76 E N 0.430 120.605 120.200 -0.041 0.000 2.208 76 E HA -0.114 4.236 4.350 0.000 0.000 0.193 76 E C 1.863 178.403 176.600 -0.100 0.000 0.988 76 E CA 0.575 56.940 56.400 -0.058 0.000 0.828 76 E CB 0.160 29.833 29.700 -0.044 0.000 0.763 76 E HN 0.180 nan 8.360 nan 0.000 0.478 77 V N 0.518 120.369 119.914 -0.105 0.000 2.379 77 V HA -0.098 4.022 4.120 0.000 0.000 0.243 77 V C 2.290 178.238 176.094 -0.242 0.000 1.035 77 V CA 1.612 63.798 62.300 -0.189 0.000 1.035 77 V CB -0.280 31.475 31.823 -0.114 0.000 0.673 77 V HN 0.286 nan 8.190 nan 0.000 0.457 78 A N 0.540 123.292 122.820 -0.113 0.000 1.917 78 A HA -0.268 4.052 4.320 0.000 0.000 0.219 78 A C 2.526 180.053 177.584 -0.095 0.000 1.182 78 A CA 2.709 54.706 52.037 -0.067 0.000 0.633 78 A CB -1.156 17.830 19.000 -0.023 0.000 0.819 78 A HN 0.900 nan 8.150 nan 0.000 0.448 79 S N -0.180 115.459 115.700 -0.102 0.000 2.440 79 S HA -0.234 4.236 4.470 0.000 0.000 0.240 79 S C 1.707 176.235 174.600 -0.121 0.000 1.014 79 S CA 1.729 59.876 58.200 -0.088 0.000 0.980 79 S CB -0.420 62.735 63.200 -0.075 0.000 0.775 79 S HN 0.660 nan 8.310 nan 0.000 0.499 80 K N 1.148 121.400 120.400 -0.246 0.000 2.155 80 K HA 0.204 4.524 4.320 0.000 0.000 0.203 80 K C 2.599 179.133 176.600 -0.111 0.000 1.052 80 K CA 0.884 56.975 56.287 -0.327 0.000 0.948 80 K CB -0.480 31.514 32.500 -0.844 0.000 0.728 80 K HN 0.482 nan 8.250 nan 0.000 0.448 81 A N 1.897 124.709 122.820 -0.013 0.000 1.883 81 A HA -0.265 4.055 4.320 0.000 0.000 0.217 81 A C 1.928 179.573 177.584 0.101 0.000 1.186 81 A CA 2.088 54.252 52.037 0.213 0.000 0.624 81 A CB -0.803 18.316 19.000 0.197 0.000 0.822 81 A HN 0.303 nan 8.150 nan 0.000 0.444 82 N N 0.020 118.738 118.700 0.031 0.000 2.104 82 N HA -0.160 4.580 4.740 0.000 0.000 0.190 82 N C 1.231 176.745 175.510 0.007 0.000 1.024 82 N CA 1.696 54.747 53.050 0.001 0.000 0.853 82 N CB -0.213 38.259 38.487 -0.025 0.000 1.008 82 N HN 0.429 nan 8.380 nan 0.000 0.424 83 D N -0.507 119.900 120.400 0.011 0.000 2.178 83 D HA -0.115 4.525 4.640 0.000 0.000 0.201 83 D C 1.562 177.896 176.300 0.057 0.000 0.980 83 D CA 1.193 55.205 54.000 0.020 0.000 0.842 83 D CB -0.175 40.623 40.800 -0.003 0.000 0.948 83 D HN 0.434 nan 8.370 nan 0.000 0.472 84 A N 0.880 123.754 122.820 0.090 0.000 1.859 84 A HA 0.314 4.634 4.320 0.000 0.000 0.212 84 A C 2.137 179.776 177.584 0.092 0.000 1.238 84 A CA 1.361 53.459 52.037 0.101 0.000 0.613 84 A CB -0.750 18.337 19.000 0.145 0.000 0.904 84 A HN 0.200 nan 8.150 nan 0.000 0.457 85 A N -1.715 121.157 122.820 0.088 0.000 1.833 85 A HA 0.399 4.719 4.320 0.000 0.000 0.215 85 A C 1.840 179.478 177.584 0.090 0.000 1.275 85 A CA 2.212 54.296 52.037 0.078 0.000 0.602 85 A CB -0.879 18.157 19.000 0.060 0.000 0.929 85 A HN 1.663 nan 8.150 nan 0.000 0.462 86 G N -2.292 106.526 108.800 0.029 0.000 4.362 86 G HA2 0.312 4.272 3.960 0.000 0.000 0.220 86 G HA3 0.312 4.272 3.960 0.000 0.000 0.220 86 G C -0.373 174.479 174.900 -0.079 0.000 0.795 86 G CA 0.734 45.794 45.100 -0.067 0.000 0.920 86 G HN 0.787 nan 8.290 nan 0.000 0.715 87 D N -2.795 117.592 120.400 -0.021 0.000 2.851 87 D HA 0.523 5.163 4.640 0.000 0.000 0.339 87 D C 1.188 177.495 176.300 0.011 0.000 1.347 87 D CA 1.071 55.062 54.000 -0.014 0.000 0.888 87 D CB 0.336 41.130 40.800 -0.010 0.000 1.431 87 D HN 1.190 nan 8.370 nan 0.000 0.509 88 G N -1.017 107.791 108.800 0.012 0.000 2.308 88 G HA2 -0.333 3.627 3.960 0.000 0.000 0.221 88 G HA3 -0.333 3.627 3.960 0.000 0.000 0.221 88 G C 1.381 176.297 174.900 0.027 0.000 1.032 88 G CA 1.180 46.295 45.100 0.026 0.000 0.623 88 G HN 1.241 nan 8.290 nan 0.000 0.506 89 T N -0.673 113.892 114.554 0.019 0.000 2.649 89 T HA -0.239 4.111 4.350 0.000 0.000 0.268 89 T C 2.225 176.930 174.700 0.007 0.000 1.036 89 T CA 3.185 65.291 62.100 0.010 0.000 1.157 89 T CB -1.242 67.621 68.868 -0.007 0.000 0.861 89 T HN 0.671 nan 8.240 nan 0.000 0.445 90 T N 1.488 116.044 114.554 0.003 0.000 2.833 90 T HA -0.074 4.276 4.350 0.000 0.000 0.269 90 T C 2.229 176.933 174.700 0.007 0.000 1.054 90 T CA 1.816 63.917 62.100 0.002 0.000 1.135 90 T CB -0.846 68.022 68.868 -0.001 0.000 0.869 90 T HN 0.656 nan 8.240 nan 0.000 0.466 91 T N 2.049 116.611 114.554 0.012 0.000 2.732 91 T HA 0.097 4.447 4.350 0.000 0.000 0.261 91 T C 2.502 177.215 174.700 0.022 0.000 1.040 91 T CA 0.916 63.025 62.100 0.015 0.000 1.145 91 T CB -0.691 68.187 68.868 0.018 0.000 0.866 91 T HN 0.408 nan 8.240 nan 0.000 0.427 92 A N 2.023 124.863 122.820 0.034 0.000 1.869 92 A HA -0.234 4.086 4.320 0.000 0.000 0.218 92 A C 2.567 180.170 177.584 0.032 0.000 1.203 92 A CA 2.577 54.643 52.037 0.048 0.000 0.638 92 A CB -1.670 17.370 19.000 0.066 0.000 0.831 92 A HN 0.480 nan 8.150 nan 0.000 0.450 93 T N -0.780 113.786 114.554 0.020 0.000 2.653 93 T HA -0.191 4.159 4.350 0.000 0.000 0.268 93 T C 1.830 176.536 174.700 0.010 0.000 1.035 93 T CA 1.822 63.929 62.100 0.011 0.000 1.154 93 T CB -0.701 68.169 68.868 0.004 0.000 0.862 93 T HN 0.412 nan 8.240 nan 0.000 0.441 94 V N 0.528 120.447 119.914 0.009 0.000 2.809 94 V HA 0.023 4.143 4.120 0.000 0.000 0.256 94 V C 2.034 178.132 176.094 0.007 0.000 1.080 94 V CA 1.229 63.532 62.300 0.005 0.000 1.102 94 V CB -0.494 31.330 31.823 0.002 0.000 0.705 94 V HN 0.475 nan 8.190 nan 0.000 0.475 95 L N 0.030 121.261 121.223 0.013 0.000 2.007 95 L HA 0.042 4.382 4.340 0.000 0.000 0.205 95 L C 2.881 179.760 176.870 0.015 0.000 1.073 95 L CA 1.508 56.356 54.840 0.014 0.000 0.744 95 L CB -0.935 41.136 42.059 0.021 0.000 0.898 95 L HN 0.391 nan 8.230 nan 0.000 0.435 96 A N -0.456 122.377 122.820 0.020 0.000 1.869 96 A HA -0.363 3.957 4.320 0.000 0.000 0.218 96 A C 2.218 179.810 177.584 0.013 0.000 1.203 96 A CA 2.309 54.358 52.037 0.020 0.000 0.638 96 A CB -0.959 18.054 19.000 0.021 0.000 0.831 96 A HN 0.521 nan 8.150 nan 0.000 0.450 97 Q N -0.746 119.059 119.800 0.009 0.000 2.082 97 Q HA -0.297 4.043 4.340 0.000 0.000 0.211 97 Q C 2.299 178.302 176.000 0.005 0.000 1.002 97 Q CA 2.450 58.256 55.803 0.006 0.000 0.868 97 Q CB -0.428 28.312 28.738 0.004 0.000 0.931 97 Q HN 0.654 nan 8.270 nan 0.000 0.414 98 A N 0.539 123.362 122.820 0.005 0.000 1.908 98 A HA -0.200 4.120 4.320 0.000 0.000 0.218 98 A C 1.999 179.586 177.584 0.004 0.000 1.181 98 A CA 1.724 53.763 52.037 0.003 0.000 0.627 98 A CB -0.702 18.300 19.000 0.003 0.000 0.818 98 A HN 0.487 nan 8.150 nan 0.000 0.445 99 I N -0.336 120.238 120.570 0.007 0.000 2.133 99 I HA -0.226 3.944 4.170 0.000 0.000 0.238 99 I C 2.322 178.442 176.117 0.006 0.000 1.074 99 I CA 1.343 62.647 61.300 0.007 0.000 1.342 99 I CB -0.521 37.485 38.000 0.010 0.000 1.053 99 I HN 0.268 nan 8.210 nan 0.000 0.404 100 I N 0.869 121.443 120.570 0.006 0.000 2.151 100 I HA -0.306 3.864 4.170 0.000 0.000 0.243 100 I C 2.593 178.712 176.117 0.003 0.000 1.080 100 I CA 1.830 63.133 61.300 0.005 0.000 1.339 100 I CB -0.976 37.027 38.000 0.005 0.000 1.039 100 I HN 0.309 nan 8.210 nan 0.000 0.409 101 T N -0.042 114.514 114.554 0.003 0.000 2.759 101 T HA -0.156 4.194 4.350 0.000 0.000 0.269 101 T C 1.776 176.477 174.700 0.002 0.000 1.042 101 T CA 1.248 63.349 62.100 0.002 0.000 1.140 101 T CB -0.143 68.726 68.868 0.002 0.000 0.864 101 T HN 0.310 nan 8.240 nan 0.000 0.455 102 E N 0.268 120.469 120.200 0.002 0.000 2.340 102 E HA 0.147 4.497 4.350 0.000 0.000 0.194 102 E C 2.402 179.003 176.600 0.001 0.000 0.996 102 E CA 0.398 56.799 56.400 0.001 0.000 0.869 102 E CB -0.397 29.304 29.700 0.001 0.000 0.835 102 E HN 0.531 nan 8.360 nan 0.000 0.493 103 G N 1.760 110.561 108.800 0.002 0.000 2.505 103 G HA2 -0.211 3.749 3.960 0.000 0.000 0.214 103 G HA3 -0.211 3.749 3.960 0.000 0.000 0.214 103 G C 1.633 176.534 174.900 0.001 0.000 1.237 103 G CA 0.465 45.566 45.100 0.002 0.000 0.802 103 G HN 0.182 nan 8.290 nan 0.000 0.549 104 L N 0.324 121.547 121.223 0.000 0.000 2.187 104 L HA -0.076 4.264 4.340 0.000 0.000 0.213 104 L C 2.736 179.607 176.870 0.000 0.000 1.100 104 L CA 1.302 56.141 54.840 -0.000 0.000 0.765 104 L CB -0.370 41.688 42.059 -0.001 0.000 0.904 104 L HN 0.244 nan 8.230 nan 0.000 0.437 105 K N 0.232 120.632 120.400 0.001 0.000 2.288 105 K HA -0.092 4.228 4.320 0.000 0.000 0.201 105 K C 2.053 178.653 176.600 0.001 0.000 1.048 105 K CA 0.957 57.244 56.287 0.001 0.000 0.956 105 K CB 0.107 32.607 32.500 0.001 0.000 0.746 105 K HN 0.309 nan 8.250 nan 0.000 0.461 106 A N 0.075 122.895 122.820 0.001 0.000 1.862 106 A HA -0.003 4.317 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 0.643 52.681 52.037 0.000 0.000 0.616 106 A CB -0.563 18.437 19.000 0.000 0.000 0.878 106 A HN 0.063 nan 8.150 nan 0.000 0.453 107 V N 0.550 120.464 119.914 -0.000 0.000 2.233 107 V HA -0.357 3.763 4.120 0.000 0.000 0.252 107 V C 2.955 179.049 176.094 -0.001 0.000 1.063 107 V CA 2.340 64.639 62.300 -0.001 0.000 1.032 107 V CB -1.275 30.547 31.823 -0.002 0.000 0.645 107 V HN 0.600 nan 8.190 nan 0.000 0.446 108 A N -0.697 122.123 122.820 0.000 0.000 2.225 108 A HA 0.118 4.438 4.320 0.000 0.000 0.215 108 A C 2.115 179.700 177.584 0.001 0.000 1.164 108 A CA 1.537 53.575 52.037 0.002 0.000 0.710 108 A CB -0.511 18.490 19.000 0.002 0.000 0.780 108 A HN 0.648 nan 8.150 nan 0.000 0.473 109 A N -2.149 120.672 122.820 0.001 0.000 2.238 109 A HA 0.452 4.772 4.320 0.000 0.000 0.210 109 A C 1.601 179.185 177.584 0.000 0.000 1.179 109 A CA 1.168 53.205 52.037 0.001 0.000 0.827 109 A CB -0.310 18.690 19.000 0.001 0.000 0.856 109 A HN 1.662 nan 8.150 nan 0.000 0.488 110 G N -1.918 106.881 108.800 -0.000 0.000 2.205 110 G HA2 -0.136 3.824 3.960 0.000 0.000 0.180 110 G HA3 -0.136 3.824 3.960 0.000 0.000 0.180 110 G C 0.076 174.975 174.900 -0.002 0.000 1.004 110 G CA 0.014 45.113 45.100 -0.001 0.000 0.670 110 G HN 0.278 nan 8.290 nan 0.000 0.496 111 M N 0.903 120.502 119.600 -0.002 0.000 2.359 111 M HA 0.361 4.841 4.480 0.000 0.000 0.322 111 M C 0.528 176.826 176.300 -0.003 0.000 1.166 111 M CA -0.768 54.530 55.300 -0.002 0.000 1.067 111 M CB 0.835 33.434 32.600 -0.002 0.000 1.523 111 M HN 0.157 nan 8.290 nan 0.000 0.467 112 N N 1.949 120.646 118.700 -0.004 0.000 2.497 112 N HA 0.112 4.852 4.740 0.000 0.000 0.268 112 N C -2.270 173.237 175.510 -0.004 0.000 1.171 112 N CA -1.222 51.825 53.050 -0.005 0.000 0.948 112 N CB 1.307 39.791 38.487 -0.005 0.000 1.069 112 N HN 0.259 nan 8.380 nan 0.000 0.460 113 P HA -0.043 nan 4.420 nan 0.000 0.213 113 P C 1.752 179.049 177.300 -0.003 0.000 1.170 113 P CA 1.154 64.252 63.100 -0.004 0.000 0.889 113 P CB 0.168 31.864 31.700 -0.006 0.000 0.782 114 M N -0.495 119.103 119.600 -0.005 0.000 2.260 114 M HA -0.170 4.310 4.480 0.000 0.000 0.261 114 M C 1.143 177.442 176.300 -0.003 0.000 1.066 114 M CA 1.664 56.961 55.300 -0.004 0.000 1.082 114 M CB -1.490 31.107 32.600 -0.006 0.000 1.388 114 M HN 0.010 nan 8.290 nan 0.000 0.419 115 D N -0.185 120.214 120.400 -0.003 0.000 2.149 115 D HA 0.037 4.677 4.640 0.000 0.000 0.206 115 D C 2.234 178.533 176.300 -0.001 0.000 0.967 115 D CA 0.685 54.684 54.000 -0.002 0.000 0.848 115 D CB -0.166 40.633 40.800 -0.003 0.000 0.998 115 D HN 0.303 nan 8.370 nan 0.000 0.474 116 L N 1.044 122.266 121.223 -0.001 0.000 2.129 116 L HA -0.211 4.129 4.340 0.000 0.000 0.212 116 L C 2.461 179.332 176.870 0.001 0.000 1.087 116 L CA 1.187 56.027 54.840 -0.000 0.000 0.757 116 L CB -0.343 41.716 42.059 -0.000 0.000 0.896 116 L HN 0.034 nan 8.230 nan 0.000 0.434 117 K N 0.321 120.721 120.400 0.001 0.000 2.097 117 K HA -0.201 4.119 4.320 0.000 0.000 0.205 117 K C 2.308 178.909 176.600 0.002 0.000 1.050 117 K CA 1.111 57.399 56.287 0.002 0.000 0.938 117 K CB 0.068 32.570 32.500 0.003 0.000 0.718 117 K HN 0.117 nan 8.250 nan 0.000 0.442 118 R N -0.176 120.324 120.500 0.001 0.000 2.057 118 R HA -0.052 4.288 4.340 0.000 0.000 0.229 118 R C 2.375 178.675 176.300 -0.000 0.000 1.136 118 R CA 1.612 57.712 56.100 -0.000 0.000 0.952 118 R CB -0.679 29.620 30.300 -0.001 0.000 0.848 118 R HN 0.382 nan 8.270 nan 0.000 0.430 119 G N 1.145 109.945 108.800 -0.000 0.000 2.505 119 G HA2 -0.306 3.654 3.960 0.000 0.000 0.220 119 G HA3 -0.306 3.654 3.960 0.000 0.000 0.220 119 G C 1.439 176.339 174.900 0.000 0.000 1.145 119 G CA 1.277 46.377 45.100 -0.000 0.000 0.761 119 G HN 0.297 nan 8.290 nan 0.000 0.571 120 I N 0.615 121.186 120.570 0.001 0.000 2.202 120 I HA -0.121 4.049 4.170 0.000 0.000 0.242 120 I C 2.250 178.367 176.117 0.001 0.000 1.091 120 I CA 1.296 62.597 61.300 0.002 0.000 1.368 120 I CB -0.190 37.812 38.000 0.004 0.000 1.058 120 I HN 0.084 nan 8.210 nan 0.000 0.410 121 D N 0.578 120.978 120.400 0.000 0.000 2.218 121 D HA -0.186 4.454 4.640 0.000 0.000 0.204 121 D C 2.012 178.310 176.300 -0.004 0.000 0.976 121 D CA 1.011 55.010 54.000 -0.002 0.000 0.853 121 D CB -0.015 40.784 40.800 -0.001 0.000 0.939 121 D HN 0.340 nan 8.370 nan 0.000 0.481 122 K N 0.843 121.241 120.400 -0.003 0.000 2.005 122 K HA -0.025 4.295 4.320 0.000 0.000 0.206 122 K C 2.126 178.724 176.600 -0.004 0.000 1.044 122 K CA 0.951 57.236 56.287 -0.003 0.000 0.942 122 K CB -0.029 32.469 32.500 -0.002 0.000 0.727 122 K HN -0.068 nan 8.250 nan 0.000 0.439 123 A N 0.852 123.671 122.820 -0.002 0.000 1.997 123 A HA -0.169 4.151 4.320 0.000 0.000 0.221 123 A C 2.187 179.769 177.584 -0.003 0.000 1.172 123 A CA 1.898 53.934 52.037 -0.002 0.000 0.645 123 A CB -0.692 18.308 19.000 -0.000 0.000 0.813 123 A HN 0.219 nan 8.150 nan 0.000 0.454 124 V N -0.830 119.081 119.914 -0.005 0.000 2.256 124 V HA -0.178 3.942 4.120 0.000 0.000 0.240 124 V C 2.667 178.754 176.094 -0.013 0.000 1.036 124 V CA 2.318 64.612 62.300 -0.009 0.000 1.008 124 V CB -1.239 30.577 31.823 -0.012 0.000 0.648 124 V HN 0.598 nan 8.190 nan 0.000 0.453 125 T N 0.671 115.217 114.554 -0.013 0.000 2.792 125 T HA -0.263 4.087 4.350 0.000 0.000 0.268 125 T C 1.838 176.531 174.700 -0.011 0.000 1.059 125 T CA 1.715 63.806 62.100 -0.015 0.000 1.136 125 T CB -0.413 68.448 68.868 -0.012 0.000 0.846 125 T HN 0.568 nan 8.240 nan 0.000 0.489 126 A N 1.379 124.195 122.820 -0.008 0.000 1.843 126 A HA 0.424 4.744 4.320 0.000 0.000 0.213 126 A C 2.704 180.285 177.584 -0.005 0.000 1.202 126 A CA 1.291 53.324 52.037 -0.005 0.000 0.607 126 A CB -1.230 17.768 19.000 -0.003 0.000 0.847 126 A HN 0.484 nan 8.150 nan 0.000 0.445 127 A N -0.347 122.470 122.820 -0.005 0.000 2.024 127 A HA -0.022 4.298 4.320 0.000 0.000 0.220 127 A C 2.102 179.683 177.584 -0.006 0.000 1.164 127 A CA 1.810 53.845 52.037 -0.003 0.000 0.643 127 A CB -0.894 18.105 19.000 -0.003 0.000 0.806 127 A HN 0.432 nan 8.150 nan 0.000 0.451 128 V N -0.311 119.596 119.914 -0.012 0.000 2.515 128 V HA -0.243 3.877 4.120 0.000 0.000 0.250 128 V C 2.278 178.365 176.094 -0.012 0.000 1.058 128 V CA 2.250 64.540 62.300 -0.017 0.000 1.064 128 V CB -0.716 31.092 31.823 -0.026 0.000 0.675 128 V HN 0.658 nan 8.190 nan 0.000 0.461 129 E N -0.224 119.971 120.200 -0.009 0.000 2.075 129 E HA -0.144 4.206 4.350 0.000 0.000 0.190 129 E C 2.182 178.781 176.600 -0.002 0.000 0.969 129 E CA 0.604 57.001 56.400 -0.006 0.000 0.815 129 E CB -0.107 29.590 29.700 -0.005 0.000 0.776 129 E HN 0.434 nan 8.360 nan 0.000 0.457 130 E N 0.985 121.184 120.200 -0.000 0.000 2.273 130 E HA -0.203 4.147 4.350 0.000 0.000 0.198 130 E C 1.719 178.322 176.600 0.005 0.000 1.002 130 E CA 0.578 56.980 56.400 0.003 0.000 0.828 130 E CB -0.045 29.658 29.700 0.004 0.000 0.747 130 E HN 0.123 nan 8.360 nan 0.000 0.491 131 L N 0.267 121.491 121.223 0.002 0.000 2.162 131 L HA 0.010 4.350 4.340 0.000 0.000 0.205 131 L C 1.686 178.558 176.870 0.003 0.000 1.086 131 L CA 1.357 56.200 54.840 0.003 0.000 0.778 131 L CB -0.034 42.025 42.059 -0.001 0.000 0.928 131 L HN -0.074 nan 8.230 nan 0.000 0.446 132 K N -0.383 120.017 120.400 0.000 0.000 2.574 132 K HA -0.039 4.281 4.320 0.000 0.000 0.193 132 K C 1.770 178.372 176.600 0.004 0.000 1.035 132 K CA 0.576 56.863 56.287 0.001 0.000 0.982 132 K CB -0.084 32.415 32.500 -0.002 0.000 0.795 132 K HN 0.448 nan 8.250 nan 0.000 0.491 133 A N 1.456 124.279 122.820 0.006 0.000 1.835 133 A HA -0.072 4.248 4.320 0.000 0.000 0.213 133 A C 1.986 179.576 177.584 0.010 0.000 1.210 133 A CA 0.710 52.751 52.037 0.007 0.000 0.605 133 A CB -0.480 18.525 19.000 0.008 0.000 0.860 133 A HN 0.110 nan 8.150 nan 0.000 0.447 134 L N 0.479 121.710 121.223 0.013 0.000 2.081 134 L HA -0.118 4.222 4.340 0.000 0.000 0.212 134 L C 1.550 178.429 176.870 0.015 0.000 1.080 134 L CA 1.192 56.042 54.840 0.017 0.000 0.754 134 L CB -1.261 40.810 42.059 0.020 0.000 0.893 134 L HN 0.431 nan 8.230 nan 0.000 0.433 135 S N 0.446 116.153 115.700 0.012 0.000 2.885 135 S HA -0.006 4.464 4.470 0.000 0.000 0.334 135 S C -0.096 174.511 174.600 0.011 0.000 1.224 135 S CA -0.283 57.923 58.200 0.010 0.000 1.080 135 S CB -0.070 63.135 63.200 0.007 0.000 0.801 135 S HN 0.074 nan 8.310 nan 0.000 0.510 136 V N 9.781 129.702 119.914 0.012 0.000 2.311 136 V HA 0.307 4.427 4.120 0.000 0.000 0.275 136 V C -1.662 174.438 176.094 0.010 0.000 1.022 136 V CA -1.723 60.584 62.300 0.011 0.000 0.830 136 V CB 0.717 32.548 31.823 0.014 0.000 1.012 136 V HN 0.773 nan 8.190 nan 0.000 0.452 137 P HA -0.126 nan 4.420 nan 0.000 0.275 137 P C -0.143 177.161 177.300 0.007 0.000 1.227 137 P CA 0.190 63.294 63.100 0.007 0.000 0.808 137 P CB 0.308 32.011 31.700 0.006 0.000 0.858 138 C N 1.048 120.351 119.300 0.006 0.000 3.079 138 C HA 0.310 4.770 4.460 0.000 0.000 0.246 138 C C 1.191 176.183 174.990 0.004 0.000 1.025 138 C CA 0.028 59.050 59.018 0.005 0.000 1.081 138 C CB -1.342 26.402 27.740 0.007 0.000 1.757 138 C HN 0.554 nan 8.230 nan 0.000 0.646 139 S N 0.599 116.300 115.700 0.003 0.000 2.545 139 S HA 0.085 4.555 4.470 0.000 0.000 0.232 139 S C 0.360 174.961 174.600 0.001 0.000 1.070 139 S CA 0.174 58.375 58.200 0.002 0.000 0.923 139 S CB 0.038 63.239 63.200 0.002 0.000 0.806 139 S HN 0.921 nan 8.310 nan 0.000 0.506 140 D N 2.377 122.778 120.400 0.002 0.000 2.348 140 D HA 0.079 4.719 4.640 0.000 0.000 0.253 140 D C 0.670 176.970 176.300 0.001 0.000 1.161 140 D CA 0.013 54.014 54.000 0.001 0.000 0.876 140 D CB 1.103 41.904 40.800 0.002 0.000 1.160 140 D HN 0.167 nan 8.370 nan 0.000 0.459 141 S N 1.647 117.348 115.700 0.000 0.000 2.559 141 S HA -0.242 4.228 4.470 0.000 0.000 0.250 141 S C 1.340 175.941 174.600 0.001 0.000 0.977 141 S CA 0.706 58.905 58.200 -0.000 0.000 0.958 141 S CB -0.307 62.892 63.200 -0.001 0.000 0.751 141 S HN 0.660 nan 8.310 nan 0.000 0.534 142 K N 1.316 121.717 120.400 0.002 0.000 2.141 142 K HA 0.259 4.579 4.320 0.000 0.000 0.202 142 K C 2.233 178.835 176.600 0.003 0.000 1.045 142 K CA 0.736 57.024 56.287 0.002 0.000 0.971 142 K CB -0.427 32.074 32.500 0.002 0.000 0.795 142 K HN 0.353 nan 8.250 nan 0.000 0.459 143 A N 1.335 124.158 122.820 0.004 0.000 2.014 143 A HA -0.005 4.315 4.320 0.000 0.000 0.218 143 A C 1.975 179.563 177.584 0.005 0.000 1.163 143 A CA 0.751 52.791 52.037 0.005 0.000 0.652 143 A CB -0.428 18.575 19.000 0.006 0.000 0.808 143 A HN 0.322 nan 8.150 nan 0.000 0.449 144 I N -0.338 120.234 120.570 0.004 0.000 2.286 144 I HA -0.283 3.887 4.170 0.000 0.000 0.248 144 I C 2.953 179.073 176.117 0.004 0.000 1.115 144 I CA 0.978 62.281 61.300 0.003 0.000 1.392 144 I CB -0.263 37.737 38.000 0.001 0.000 1.065 144 I HN 0.385 nan 8.210 nan 0.000 0.418 145 A N 0.327 123.149 122.820 0.003 0.000 1.877 145 A HA -0.272 4.048 4.320 0.000 0.000 0.216 145 A C 2.206 179.793 177.584 0.005 0.000 1.186 145 A CA 1.581 53.620 52.037 0.003 0.000 0.620 145 A CB -0.691 18.310 19.000 0.003 0.000 0.822 145 A HN 0.464 nan 8.150 nan 0.000 0.443 146 Q N -0.507 119.297 119.800 0.005 0.000 2.152 146 Q HA -0.144 4.196 4.340 0.000 0.000 0.206 146 Q C 2.123 178.128 176.000 0.008 0.000 0.985 146 Q CA 1.659 57.465 55.803 0.006 0.000 0.863 146 Q CB -0.459 28.283 28.738 0.007 0.000 0.904 146 Q HN 0.515 nan 8.270 nan 0.000 0.422 147 V N 0.319 120.239 119.914 0.009 0.000 2.221 147 V HA -0.184 3.936 4.120 0.000 0.000 0.242 147 V C 2.292 178.393 176.094 0.012 0.000 1.041 147 V CA 2.066 64.373 62.300 0.011 0.000 0.995 147 V CB -1.271 30.559 31.823 0.012 0.000 0.635 147 V HN 0.548 nan 8.190 nan 0.000 0.448 148 G N -0.695 108.112 108.800 0.011 0.000 2.507 148 G HA2 -0.297 3.663 3.960 0.000 0.000 0.221 148 G HA3 -0.297 3.663 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 1.771 46.879 45.100 0.012 0.000 0.751 148 G HN 0.485 nan 8.290 nan 0.000 0.574 149 T N 0.982 115.541 114.554 0.008 0.000 2.821 149 T HA 0.013 4.363 4.350 0.000 0.000 0.267 149 T C 2.297 177.001 174.700 0.007 0.000 1.046 149 T CA 0.848 62.953 62.100 0.007 0.000 1.139 149 T CB -0.092 68.780 68.868 0.005 0.000 0.871 149 T HN 0.326 nan 8.240 nan 0.000 0.454 150 I N 0.664 121.240 120.570 0.008 0.000 2.876 150 I HA 0.004 4.174 4.170 0.000 0.000 0.264 150 I C 2.128 178.251 176.117 0.010 0.000 1.204 150 I CA 0.530 61.834 61.300 0.008 0.000 1.485 150 I CB -0.082 37.923 38.000 0.008 0.000 1.103 150 I HN 0.108 nan 8.210 nan 0.000 0.446 151 S N 0.835 116.543 115.700 0.013 0.000 2.527 151 S HA 0.146 4.616 4.470 0.000 0.000 0.222 151 S C 1.674 176.283 174.600 0.015 0.000 0.985 151 S CA 0.729 58.939 58.200 0.016 0.000 0.921 151 S CB 0.141 63.355 63.200 0.024 0.000 0.772 151 S HN 0.480 nan 8.310 nan 0.000 0.529 152 A N 1.343 124.170 122.820 0.012 0.000 2.500 152 A HA 0.442 4.762 4.320 0.000 0.000 0.267 152 A C 0.565 178.153 177.584 0.007 0.000 1.290 152 A CA -0.370 51.673 52.037 0.010 0.000 0.928 152 A CB -0.410 18.596 19.000 0.010 0.000 1.066 152 A HN 0.367 nan 8.150 nan 0.000 0.516 153 N N -0.225 118.479 118.700 0.006 0.000 2.746 153 N HA -0.210 4.530 4.740 0.000 0.000 0.250 153 N C 0.208 175.720 175.510 0.002 0.000 1.055 153 N CA 1.046 54.098 53.050 0.003 0.000 0.699 153 N CB -1.853 36.635 38.487 0.002 0.000 0.919 153 N HN 0.517 nan 8.380 nan 0.000 0.548 154 S N -1.563 114.139 115.700 0.003 0.000 3.490 154 S HA -0.232 4.238 4.470 0.000 0.000 0.301 154 S C -0.361 174.240 174.600 0.002 0.000 1.233 154 S CA 0.827 59.028 58.200 0.002 0.000 0.914 154 S CB -1.037 62.163 63.200 -0.000 0.000 1.047 154 S HN 0.766 nan 8.310 nan 0.000 0.602 155 D N 1.364 121.766 120.400 0.003 0.000 2.441 155 D HA 0.219 4.859 4.640 0.000 0.000 0.221 155 D C 1.134 177.436 176.300 0.003 0.000 1.156 155 D CA -0.264 53.738 54.000 0.003 0.000 0.896 155 D CB 0.495 41.297 40.800 0.004 0.000 1.028 155 D HN 0.476 nan 8.370 nan 0.000 0.509 156 E N 1.346 121.547 120.200 0.003 0.000 2.130 156 E HA -0.181 4.169 4.350 0.000 0.000 0.196 156 E C 1.525 178.126 176.600 0.002 0.000 0.998 156 E CA 1.291 57.692 56.400 0.003 0.000 0.806 156 E CB 0.145 29.846 29.700 0.002 0.000 0.738 156 E HN 0.496 nan 8.360 nan 0.000 0.459 157 T N 1.046 115.602 114.554 0.002 0.000 2.699 157 T HA -0.182 4.168 4.350 0.000 0.000 0.268 157 T C 2.102 176.803 174.700 0.002 0.000 1.036 157 T CA 1.485 63.587 62.100 0.002 0.000 1.147 157 T CB -0.324 68.545 68.868 0.002 0.000 0.862 157 T HN 0.001 nan 8.240 nan 0.000 0.446 158 V N 1.478 121.394 119.914 0.003 0.000 2.216 158 V HA -0.100 4.020 4.120 0.000 0.000 0.243 158 V C 2.929 179.025 176.094 0.004 0.000 1.044 158 V CA 2.006 64.308 62.300 0.004 0.000 0.995 158 V CB -1.637 30.191 31.823 0.007 0.000 0.633 158 V HN 0.577 nan 8.190 nan 0.000 0.446 159 G N 0.017 108.819 108.800 0.004 0.000 2.663 159 G HA2 -0.447 3.513 3.960 0.000 0.000 0.222 159 G HA3 -0.447 3.513 3.960 0.000 0.000 0.222 159 G C 1.632 176.533 174.900 0.002 0.000 1.146 159 G CA 1.793 46.895 45.100 0.004 0.000 0.764 159 G HN 0.543 nan 8.290 nan 0.000 0.608 160 K N 0.062 120.463 120.400 0.001 0.000 1.985 160 K HA 0.014 4.334 4.320 0.000 0.000 0.210 160 K C 2.635 179.235 176.600 -0.001 0.000 1.047 160 K CA 1.211 57.498 56.287 0.000 0.000 0.932 160 K CB -0.386 32.114 32.500 0.000 0.000 0.716 160 K HN 0.348 nan 8.250 nan 0.000 0.439 161 L N 1.129 122.352 121.223 -0.001 0.000 2.034 161 L HA -0.290 4.050 4.340 0.000 0.000 0.217 161 L C 2.496 179.364 176.870 -0.004 0.000 1.077 161 L CA 1.613 56.452 54.840 -0.002 0.000 0.769 161 L CB -0.409 41.649 42.059 -0.001 0.000 0.890 161 L HN 0.333 nan 8.230 nan 0.000 0.435 162 I N -0.778 119.790 120.570 -0.003 0.000 2.090 162 I HA -0.334 3.836 4.170 0.000 0.000 0.236 162 I C 2.811 178.924 176.117 -0.007 0.000 1.064 162 I CA 1.295 62.592 61.300 -0.006 0.000 1.324 162 I CB -0.669 37.328 38.000 -0.003 0.000 1.044 162 I HN 0.252 nan 8.210 nan 0.000 0.399 163 A N 0.597 123.414 122.820 -0.004 0.000 1.915 163 A HA -0.303 4.017 4.320 0.000 0.000 0.220 163 A C 2.180 179.761 177.584 -0.005 0.000 1.198 163 A CA 2.300 54.334 52.037 -0.004 0.000 0.647 163 A CB -0.889 18.110 19.000 -0.002 0.000 0.825 163 A HN 0.550 nan 8.150 nan 0.000 0.456 164 E N -0.635 119.562 120.200 -0.005 0.000 2.153 164 E HA -0.100 4.250 4.350 0.000 0.000 0.194 164 E C 2.317 178.913 176.600 -0.007 0.000 0.988 164 E CA 0.854 57.251 56.400 -0.005 0.000 0.811 164 E CB -0.276 29.422 29.700 -0.004 0.000 0.746 164 E HN 0.675 nan 8.360 nan 0.000 0.466 165 A N 1.294 124.108 122.820 -0.009 0.000 1.854 165 A HA -0.141 4.179 4.320 0.000 0.000 0.214 165 A C 2.179 179.756 177.584 -0.013 0.000 1.192 165 A CA 1.133 53.163 52.037 -0.012 0.000 0.611 165 A CB -0.409 18.582 19.000 -0.014 0.000 0.832 165 A HN 0.104 nan 8.150 nan 0.000 0.442 166 M N -0.835 118.757 119.600 -0.013 0.000 2.213 166 M HA -0.161 4.319 4.480 0.000 0.000 0.263 166 M C 1.368 177.662 176.300 -0.010 0.000 1.062 166 M CA 1.727 57.019 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 0.365 nan 8.290 nan 0.000 0.417 167 D N 0.282 120.677 120.400 -0.008 0.000 2.378 167 D HA -0.059 4.581 4.640 0.000 0.000 0.227 167 D C 1.786 178.081 176.300 -0.007 0.000 1.012 167 D CA 0.748 54.744 54.000 -0.007 0.000 0.905 167 D CB 0.309 41.106 40.800 -0.005 0.000 0.895 167 D HN 0.036 nan 8.370 nan 0.000 0.532 168 K N -0.665 119.730 120.400 -0.008 0.000 2.399 168 K HA 0.116 4.436 4.320 0.000 0.000 0.196 168 K C 0.855 177.450 176.600 -0.009 0.000 1.103 168 K CA 0.437 56.719 56.287 -0.008 0.000 0.986 168 K CB 1.553 34.048 32.500 -0.009 0.000 0.952 168 K HN 0.151 nan 8.250 nan 0.000 0.541 169 V N -3.036 116.872 119.914 -0.011 0.000 3.261 169 V HA 0.437 4.557 4.120 0.000 0.000 0.330 169 V C 0.256 176.343 176.094 -0.011 0.000 1.461 169 V CA -0.198 62.095 62.300 -0.011 0.000 1.127 169 V CB 0.097 31.912 31.823 -0.014 0.000 1.044 169 V HN 0.214 nan 8.190 nan 0.000 0.499 170 G N 2.534 111.328 108.800 -0.010 0.000 2.750 170 G HA2 -0.210 3.750 3.960 0.000 0.000 0.686 170 G HA3 -0.210 3.750 3.960 0.000 0.000 0.686 170 G C 0.250 175.142 174.900 -0.012 0.000 1.395 170 G CA -0.008 45.086 45.100 -0.010 0.000 0.918 170 G HN 0.789 nan 8.290 nan 0.000 0.594 171 K N 0.354 120.748 120.400 -0.010 0.000 2.633 171 K HA -0.020 4.300 4.320 0.000 0.000 0.193 171 K C 0.611 177.202 176.600 -0.014 0.000 1.033 171 K CA 1.365 57.645 56.287 -0.012 0.000 0.980 171 K CB 0.383 32.878 32.500 -0.009 0.000 0.800 171 K HN 0.517 nan 8.250 nan 0.000 0.493 172 E N 1.071 121.263 120.200 -0.013 0.000 2.693 172 E HA 0.124 4.474 4.350 0.000 0.000 0.214 172 E C 0.413 177.003 176.600 -0.016 0.000 0.990 172 E CA -0.098 56.294 56.400 -0.014 0.000 1.047 172 E CB 1.185 30.879 29.700 -0.009 0.000 1.039 172 E HN 0.415 nan 8.360 nan 0.000 0.475 173 G N 0.408 109.196 108.800 -0.020 0.000 2.642 173 G HA2 0.437 4.397 3.960 0.000 0.000 0.291 173 G HA3 0.437 4.397 3.960 0.000 0.000 0.291 173 G C -0.062 174.819 174.900 -0.031 0.000 1.345 173 G CA -0.429 44.658 45.100 -0.022 0.000 1.043 173 G HN -0.036 nan 8.290 nan 0.000 0.528 174 V N 0.041 119.937 119.914 -0.031 0.000 2.509 174 V HA 0.572 4.692 4.120 0.000 0.000 0.284 174 V C -0.104 175.965 176.094 -0.042 0.000 1.047 174 V CA -0.349 61.926 62.300 -0.041 0.000 0.952 174 V CB 0.919 32.719 31.823 -0.037 0.000 0.988 174 V HN 0.482 nan 8.190 nan 0.000 0.469 175 I N 3.086 123.623 120.570 -0.054 0.000 2.571 175 I HA 0.519 4.689 4.170 0.000 0.000 0.289 175 I C -0.398 175.688 176.117 -0.053 0.000 1.115 175 I CA -0.153 61.118 61.300 -0.049 0.000 1.045 175 I CB 2.484 40.453 38.000 -0.052 0.000 1.238 175 I HN 0.614 nan 8.210 nan 0.000 0.424 176 T N 4.553 119.083 114.554 -0.038 0.000 2.907 176 T HA 0.593 4.943 4.350 0.000 0.000 0.292 176 T C -0.507 174.180 174.700 -0.021 0.000 1.043 176 T CA -0.718 61.362 62.100 -0.032 0.000 1.003 176 T CB 2.497 71.347 68.868 -0.030 0.000 1.084 176 T HN 0.385 nan 8.240 nan 0.000 0.483 177 V N 0.100 120.007 119.914 -0.013 0.000 2.378 177 V HA 0.639 4.759 4.120 0.000 0.000 0.288 177 V C -0.172 175.921 176.094 -0.002 0.000 1.016 177 V CA -0.811 61.486 62.300 -0.005 0.000 0.840 177 V CB 0.984 32.809 31.823 0.003 0.000 0.994 177 V HN 0.862 nan 8.190 nan 0.000 0.431 178 E N 2.565 122.762 120.200 -0.004 0.000 2.961 178 E HA 0.422 4.772 4.350 0.000 0.000 0.254 178 E C -0.926 175.674 176.600 -0.000 0.000 1.192 178 E CA -0.930 55.468 56.400 -0.003 0.000 1.069 178 E CB 0.823 30.519 29.700 -0.006 0.000 1.338 178 E HN 0.763 nan 8.360 nan 0.000 0.596 179 D N -0.104 120.296 120.400 -0.001 0.000 2.229 179 D HA 0.279 4.919 4.640 0.000 0.000 0.249 179 D C -0.131 176.169 176.300 -0.001 0.000 1.027 179 D CA -0.215 53.786 54.000 0.001 0.000 0.923 179 D CB 1.497 42.298 40.800 0.001 0.000 1.174 179 D HN 0.441 nan 8.370 nan 0.000 0.443 180 G N -0.864 107.936 108.800 0.000 0.000 2.572 180 G HA2 0.280 4.240 3.960 0.000 0.000 0.261 180 G HA3 0.280 4.240 3.960 0.000 0.000 0.261 180 G C 0.841 175.740 174.900 -0.001 0.000 1.197 180 G CA -0.295 44.804 45.100 -0.000 0.000 0.870 180 G HN 0.452 nan 8.290 nan 0.000 0.548 181 T N -2.809 111.744 114.554 -0.002 0.000 3.069 181 T HA 0.472 4.822 4.350 0.000 0.000 0.252 181 T C 0.968 175.667 174.700 -0.001 0.000 1.053 181 T CA 0.523 62.622 62.100 -0.002 0.000 0.964 181 T CB 0.355 69.221 68.868 -0.003 0.000 1.005 181 T HN 2.010 nan 8.240 nan 0.000 0.532 182 G N 2.008 110.807 108.800 -0.001 0.000 2.314 182 G HA2 0.307 4.267 3.960 0.000 0.000 0.286 182 G HA3 0.307 4.267 3.960 0.000 0.000 0.286 182 G C -0.573 174.327 174.900 -0.000 0.000 1.270 182 G CA -0.614 44.486 45.100 -0.000 0.000 1.277 182 G HN 0.623 nan 8.290 nan 0.000 0.635 183 L N -0.036 121.187 121.223 0.000 0.000 0.611 183 L HA -0.184 4.156 4.340 0.000 0.000 0.356 183 L C 0.475 177.345 176.870 -0.000 0.000 1.007 183 L CA 2.312 57.152 54.840 0.000 0.000 1.222 183 L CB -0.317 41.742 42.059 0.000 0.000 0.016 183 L HN 1.793 nan 8.230 nan 0.000 0.101 184 Q N 1.502 121.302 119.800 -0.000 0.000 2.667 184 Q HA -0.126 4.214 4.340 0.000 0.000 0.210 184 Q C -0.619 175.380 176.000 -0.001 0.000 1.417 184 Q CA 1.032 56.835 55.803 -0.001 0.000 0.607 184 Q CB -0.581 28.156 28.738 -0.001 0.000 0.739 184 Q HN 0.590 nan 8.270 nan 0.000 0.315 185 D N 3.388 123.787 120.400 -0.001 0.000 2.455 185 D HA 0.039 4.679 4.640 0.000 0.000 0.241 185 D C 0.300 176.599 176.300 -0.002 0.000 1.138 185 D CA 0.752 54.751 54.000 -0.001 0.000 0.877 185 D CB 0.714 41.513 40.800 -0.001 0.000 1.187 185 D HN 0.307 nan 8.370 nan 0.000 0.451 186 E N 0.340 120.538 120.200 -0.003 0.000 2.221 186 E HA 0.591 4.941 4.350 0.000 0.000 0.268 186 E C -0.895 175.702 176.600 -0.005 0.000 0.933 186 E CA -0.992 55.406 56.400 -0.004 0.000 0.809 186 E CB 2.256 31.953 29.700 -0.004 0.000 1.190 186 E HN 0.124 nan 8.360 nan 0.000 0.406 187 L N 2.918 124.138 121.223 -0.005 0.000 2.543 187 L HA 0.412 4.752 4.340 0.000 0.000 0.265 187 L C -2.093 174.773 176.870 -0.007 0.000 0.945 187 L CA -0.220 54.616 54.840 -0.006 0.000 0.869 187 L CB 1.674 43.729 42.059 -0.006 0.000 1.294 187 L HN 0.631 nan 8.230 nan 0.000 0.405 188 D N 3.377 123.772 120.400 -0.008 0.000 2.665 188 D HA 0.496 5.136 4.640 0.000 0.000 0.287 188 D C -1.422 174.873 176.300 -0.009 0.000 1.266 188 D CA -0.419 53.577 54.000 -0.008 0.000 0.830 188 D CB 2.049 42.845 40.800 -0.007 0.000 1.356 188 D HN 0.306 nan 8.370 nan 0.000 0.437 189 V N 0.102 120.011 119.914 -0.008 0.000 2.513 189 V HA 0.633 4.753 4.120 0.000 0.000 0.299 189 V C 0.157 176.246 176.094 -0.008 0.000 1.035 189 V CA -0.729 61.566 62.300 -0.009 0.000 0.889 189 V CB 1.461 33.280 31.823 -0.008 0.000 0.988 189 V HN 0.637 nan 8.190 nan 0.000 0.440 190 V N 0.780 120.689 119.914 -0.009 0.000 2.962 190 V HA 0.660 4.780 4.120 0.000 0.000 0.313 190 V C -0.349 175.741 176.094 -0.007 0.000 1.099 190 V CA -0.974 61.321 62.300 -0.008 0.000 0.971 190 V CB 2.170 33.987 31.823 -0.010 0.000 1.028 190 V HN 0.728 nan 8.190 nan 0.000 0.430 191 E N 2.484 122.682 120.200 -0.004 0.000 2.341 191 E HA 0.467 4.817 4.350 0.000 0.000 0.256 191 E C 0.357 176.958 176.600 0.001 0.000 1.125 191 E CA 0.842 57.242 56.400 -0.000 0.000 0.939 191 E CB 0.765 30.466 29.700 0.002 0.000 0.991 191 E HN 1.099 nan 8.360 nan 0.000 0.458 192 G N 1.677 110.479 108.800 0.003 0.000 2.911 192 G HA2 0.749 4.709 3.960 0.000 0.000 0.299 192 G HA3 0.749 4.709 3.960 0.000 0.000 0.299 192 G C -0.918 173.992 174.900 0.016 0.000 1.283 192 G CA -0.547 44.557 45.100 0.005 0.000 0.805 192 G HN 0.416 nan 8.290 nan 0.000 0.548 193 M N -0.901 118.709 119.600 0.016 0.000 2.895 193 M HA 0.521 5.001 4.480 0.000 0.000 0.271 193 M C -2.465 173.837 176.300 0.002 0.000 1.174 193 M CA -0.622 54.702 55.300 0.039 0.000 0.816 193 M CB 2.365 35.024 32.600 0.099 0.000 1.647 193 M HN 0.638 nan 8.290 nan 0.000 0.506 194 Q N 2.718 122.528 119.800 0.017 0.000 2.280 194 Q HA 0.542 4.882 4.340 0.000 0.000 0.259 194 Q C -2.257 173.743 176.000 -0.000 0.000 0.964 194 Q CA -0.518 55.224 55.803 -0.101 0.000 0.844 194 Q CB 1.851 30.530 28.738 -0.099 0.000 1.334 194 Q HN 0.584 nan 8.270 nan 0.000 0.423 195 F N -0.014 119.929 119.950 -0.013 0.000 2.579 195 F HA 0.549 5.076 4.527 -0.000 0.000 0.324 195 F C 0.115 175.908 175.800 -0.011 0.000 1.058 195 F CA -1.134 56.861 58.000 -0.009 0.000 0.944 195 F CB 0.974 39.972 39.000 -0.003 0.000 1.245 195 F HN 0.286 nan 8.300 nan 0.000 0.477 196 D N 2.414 122.942 120.400 0.213 0.000 2.982 196 D HA 0.090 4.730 4.640 0.000 0.000 0.238 196 D C -0.173 176.206 176.300 0.133 0.000 1.168 196 D CA 0.352 54.418 54.000 0.110 0.000 0.947 196 D CB -0.059 40.793 40.800 0.086 0.000 1.147 196 D HN 0.241 nan 8.370 nan 0.000 0.450 197 R N -0.034 120.568 120.500 0.169 0.000 2.621 197 R HA 0.593 4.933 4.340 0.000 0.000 0.292 197 R C 0.364 176.671 176.300 0.013 0.000 0.969 197 R CA -0.718 55.475 56.100 0.156 0.000 0.887 197 R CB 2.177 32.690 30.300 0.354 0.000 1.180 197 R HN 0.099 nan 8.270 nan 0.000 0.450 198 G N 0.882 109.657 108.800 -0.042 0.000 2.667 198 G HA2 0.455 4.415 3.960 0.000 0.000 0.310 198 G HA3 0.455 4.415 3.960 0.000 0.000 0.310 198 G C -0.753 174.103 174.900 -0.072 0.000 1.259 198 G CA -0.566 44.422 45.100 -0.187 0.000 1.019 198 G HN 0.433 nan 8.290 nan 0.000 0.496 199 Y N -0.842 119.480 120.300 0.037 0.000 2.652 199 Y HA 0.276 4.826 4.550 0.000 0.000 0.344 199 Y C 1.343 177.308 175.900 0.108 0.000 1.254 199 Y CA -1.034 57.100 58.100 0.056 0.000 1.480 199 Y CB 0.195 38.727 38.460 0.120 0.000 1.345 199 Y HN 0.213 nan 8.280 nan 0.000 0.617 200 L N 1.243 122.713 121.223 0.412 0.000 2.240 200 L HA 0.057 4.397 4.340 0.000 0.000 0.211 200 L C 0.519 177.600 176.870 0.351 0.000 1.106 200 L CA 1.169 56.213 54.840 0.340 0.000 0.793 200 L CB -0.438 41.789 42.059 0.281 0.000 0.927 200 L HN 0.839 nan 8.230 nan 0.000 0.446 201 S N -3.067 112.866 115.700 0.389 0.000 2.537 201 S HA 0.487 4.957 4.470 0.000 0.000 0.271 201 S C -2.755 171.698 174.600 -0.246 0.000 1.148 201 S CA -1.204 57.043 58.200 0.079 0.000 0.868 201 S CB 2.061 65.286 63.200 0.042 0.000 1.115 201 S HN -0.285 nan 8.310 nan 0.000 0.461 202 P HA 0.210 nan 4.420 nan 0.000 0.317 202 P C 0.247 177.234 177.300 -0.523 0.000 1.427 202 P CA 0.552 63.171 63.100 -0.801 0.000 0.820 202 P CB -0.153 31.078 31.700 -0.782 0.000 1.894 203 Y N -4.593 115.529 120.300 -0.296 0.000 2.843 203 Y HA -0.312 4.238 4.550 -0.000 0.000 0.492 203 Y C 1.956 177.731 175.900 -0.209 0.000 1.055 203 Y CA 1.476 59.415 58.100 -0.268 0.000 2.997 203 Y CB -3.170 35.076 38.460 -0.357 0.000 0.837 203 Y HN 0.083 nan 8.280 nan 0.000 0.553 204 F N 0.478 120.438 119.950 0.016 0.000 2.236 204 F HA -0.124 4.403 4.527 0.000 0.000 0.302 204 F C 1.502 177.303 175.800 0.000 0.000 1.073 204 F CA 0.982 58.989 58.000 0.012 0.000 1.336 204 F CB -0.748 38.255 39.000 0.004 0.000 1.040 204 F HN -0.010 nan 8.300 nan 0.000 0.507 205 I N 2.487 123.127 120.570 0.116 0.000 2.943 205 I HA -0.221 3.949 4.170 0.000 0.000 0.296 205 I C 0.751 176.913 176.117 0.076 0.000 1.220 205 I CA 0.527 61.868 61.300 0.068 0.000 1.409 205 I CB -0.122 37.868 38.000 -0.018 0.000 1.374 205 I HN 0.236 nan 8.210 nan 0.000 0.545 206 N N 4.844 123.593 118.700 0.081 0.000 2.184 206 N HA 0.072 4.812 4.740 0.000 0.000 0.206 206 N C -0.024 175.516 175.510 0.051 0.000 1.151 206 N CA -0.142 52.947 53.050 0.065 0.000 0.878 206 N CB 0.482 39.011 38.487 0.069 0.000 1.014 206 N HN 0.485 nan 8.380 nan 0.000 0.512 207 K N 1.125 121.555 120.400 0.051 0.000 2.920 207 K HA 0.244 4.564 4.320 0.000 0.000 0.175 207 K C -2.159 174.465 176.600 0.040 0.000 1.099 207 K CA -1.545 54.767 56.287 0.042 0.000 0.939 207 K CB 1.887 34.412 32.500 0.042 0.000 1.148 207 K HN -0.002 nan 8.250 nan 0.000 0.613 208 P HA -0.174 nan 4.420 nan 0.000 0.231 208 P C 0.208 177.521 177.300 0.021 0.000 1.154 208 P CA 1.094 64.208 63.100 0.024 0.000 0.762 208 P CB 0.506 32.217 31.700 0.018 0.000 0.790 209 E N -0.142 120.072 120.200 0.023 0.000 2.016 209 E HA -0.075 4.275 4.350 0.000 0.000 0.190 209 E C 2.067 178.678 176.600 0.018 0.000 0.985 209 E CA 1.699 58.109 56.400 0.017 0.000 0.802 209 E CB -0.923 28.788 29.700 0.017 0.000 0.762 209 E HN 0.198 nan 8.360 nan 0.000 0.448 210 T N -1.280 113.291 114.554 0.028 0.000 2.942 210 T HA 0.109 4.459 4.350 0.000 0.000 0.265 210 T C 1.360 176.086 174.700 0.045 0.000 1.062 210 T CA 0.915 63.035 62.100 0.033 0.000 1.139 210 T CB 0.005 68.900 68.868 0.044 0.000 0.883 210 T HN 0.421 nan 8.240 nan 0.000 0.468 211 G N 1.075 109.909 108.800 0.057 0.000 2.130 211 G HA2 0.107 4.067 3.960 0.000 0.000 0.216 211 G HA3 0.107 4.067 3.960 0.000 0.000 0.216 211 G C 0.037 175.027 174.900 0.150 0.000 0.999 211 G CA -0.052 45.097 45.100 0.082 0.000 0.686 211 G HN 0.909 nan 8.290 nan 0.000 0.515 212 A N -1.528 121.370 122.820 0.129 0.000 2.486 212 A HA 0.990 5.310 4.320 0.000 0.000 0.277 212 A C -0.263 177.403 177.584 0.138 0.000 1.282 212 A CA -0.136 52.003 52.037 0.171 0.000 0.784 212 A CB 1.627 20.694 19.000 0.111 0.000 1.350 212 A HN 1.246 nan 8.150 nan 0.000 0.454 213 V N 0.217 120.216 119.914 0.141 0.000 2.769 213 V HA 0.667 4.787 4.120 0.000 0.000 0.312 213 V C -0.308 175.824 176.094 0.063 0.000 1.058 213 V CA -0.426 61.939 62.300 0.108 0.000 0.952 213 V CB 1.630 33.529 31.823 0.128 0.000 1.019 213 V HN 0.908 nan 8.190 nan 0.000 0.445 214 E N 2.770 123.000 120.200 0.050 0.000 2.274 214 E HA 0.613 4.963 4.350 0.000 0.000 0.269 214 E C -2.018 174.597 176.600 0.024 0.000 0.891 214 E CA -0.536 55.881 56.400 0.028 0.000 0.784 214 E CB 1.683 31.398 29.700 0.025 0.000 1.225 214 E HN 0.624 nan 8.360 nan 0.000 0.412 215 L N 3.409 124.638 121.223 0.010 0.000 2.381 215 L HA 0.521 4.861 4.340 0.000 0.000 0.274 215 L C -0.419 176.445 176.870 -0.011 0.000 0.988 215 L CA -0.873 53.971 54.840 0.007 0.000 0.824 215 L CB 1.994 44.058 42.059 0.008 0.000 1.263 215 L HN 0.474 nan 8.230 nan 0.000 0.410 216 E N 1.486 121.677 120.200 -0.015 0.000 2.175 216 E HA 0.301 4.651 4.350 0.000 0.000 0.278 216 E C -0.146 176.419 176.600 -0.059 0.000 0.969 216 E CA -0.540 55.842 56.400 -0.031 0.000 0.796 216 E CB 1.564 31.251 29.700 -0.021 0.000 1.104 216 E HN 0.635 nan 8.360 nan 0.000 0.395 217 S N 1.708 117.359 115.700 -0.081 0.000 3.614 217 S HA -0.124 4.346 4.470 0.000 0.000 0.360 217 S C -2.030 172.440 174.600 -0.218 0.000 1.023 217 S CA 0.412 58.529 58.200 -0.139 0.000 1.114 217 S CB -1.347 61.774 63.200 -0.131 0.000 0.907 217 S HN 0.514 nan 8.310 nan 0.000 0.470 218 P HA 0.545 nan 4.420 nan 0.000 0.279 218 P C -0.110 177.058 177.300 -0.220 0.000 1.276 218 P CA -0.596 62.416 63.100 -0.147 0.000 0.801 218 P CB 0.538 32.219 31.700 -0.031 0.000 1.127 219 F N -0.562 119.395 119.950 0.011 0.000 2.432 219 F HA 0.480 5.007 4.527 0.000 0.000 0.329 219 F C 0.737 176.545 175.800 0.012 0.000 1.076 219 F CA -0.459 57.548 58.000 0.012 0.000 1.018 219 F CB 0.910 39.917 39.000 0.012 0.000 1.201 219 F HN 0.045 nan 8.300 nan 0.000 0.489 220 I N 3.104 123.817 120.570 0.238 0.000 2.569 220 I HA 0.384 4.554 4.170 0.000 0.000 0.296 220 I C -1.431 174.749 176.117 0.105 0.000 1.028 220 I CA -1.117 60.263 61.300 0.134 0.000 1.082 220 I CB 2.090 40.150 38.000 0.100 0.000 1.264 220 I HN 0.232 nan 8.210 nan 0.000 0.429 221 L N 6.894 128.159 121.223 0.071 0.000 2.280 221 L HA 0.522 4.862 4.340 0.000 0.000 0.287 221 L C -1.084 175.805 176.870 0.032 0.000 1.023 221 L CA -0.181 54.685 54.840 0.043 0.000 0.819 221 L CB 0.951 43.029 42.059 0.031 0.000 1.212 221 L HN 0.472 nan 8.230 nan 0.000 0.420 222 L N 6.157 127.394 121.223 0.023 0.000 2.301 222 L HA 0.794 5.134 4.340 0.000 0.000 0.278 222 L C -0.271 176.601 176.870 0.003 0.000 1.022 222 L CA -0.421 54.425 54.840 0.010 0.000 0.854 222 L CB 1.162 43.226 42.059 0.009 0.000 1.226 222 L HN 0.779 nan 8.230 nan 0.000 0.429 223 A N 1.836 124.657 122.820 0.001 0.000 2.381 223 A HA 0.449 4.769 4.320 0.000 0.000 0.299 223 A C -1.071 176.512 177.584 -0.002 0.000 1.049 223 A CA -0.585 51.453 52.037 0.001 0.000 0.715 223 A CB 1.476 20.480 19.000 0.005 0.000 1.222 223 A HN 0.637 nan 8.150 nan 0.000 0.428 224 D N 2.499 122.897 120.400 -0.004 0.000 2.422 224 D HA 0.490 5.130 4.640 0.000 0.000 0.227 224 D C -0.061 176.241 176.300 0.003 0.000 1.190 224 D CA 0.402 54.400 54.000 -0.004 0.000 0.905 224 D CB -0.275 40.520 40.800 -0.008 0.000 1.034 224 D HN 0.705 nan 8.370 nan 0.000 0.507 225 K N 0.746 121.151 120.400 0.008 0.000 3.663 225 K HA 0.127 4.447 4.320 0.000 0.000 0.413 225 K C -1.410 175.201 176.600 0.018 0.000 1.089 225 K CA -1.130 55.165 56.287 0.013 0.000 0.860 225 K CB 0.236 32.742 32.500 0.011 0.000 1.492 225 K HN 0.028 nan 8.250 nan 0.000 0.517 226 K N 0.874 121.287 120.400 0.021 0.000 2.118 226 K HA 0.511 4.831 4.320 0.000 0.000 0.264 226 K C -0.499 176.116 176.600 0.025 0.000 1.000 226 K CA -0.623 55.679 56.287 0.025 0.000 0.929 226 K CB 0.880 33.396 32.500 0.026 0.000 1.021 226 K HN 0.376 nan 8.250 nan 0.000 0.463 227 I N 1.688 122.277 120.570 0.030 0.000 2.439 227 I HA 0.098 4.268 4.170 0.000 0.000 0.283 227 I C 0.165 176.303 176.117 0.035 0.000 1.023 227 I CA -0.107 61.212 61.300 0.031 0.000 1.100 227 I CB 1.908 39.928 38.000 0.033 0.000 1.238 227 I HN 0.626 nan 8.210 nan 0.000 0.445 228 S N 2.839 118.557 115.700 0.029 0.000 2.807 228 S HA 0.171 4.641 4.470 0.000 0.000 0.247 228 S C 0.725 175.341 174.600 0.026 0.000 1.078 228 S CA -0.123 58.095 58.200 0.030 0.000 0.867 228 S CB 0.282 63.497 63.200 0.025 0.000 0.797 228 S HN 0.575 nan 8.310 nan 0.000 0.515 229 N N 2.927 121.640 118.700 0.022 0.000 2.399 229 N HA 0.180 4.920 4.740 0.000 0.000 0.259 229 N C 0.678 176.200 175.510 0.019 0.000 1.160 229 N CA 0.025 53.086 53.050 0.018 0.000 0.946 229 N CB 0.830 39.326 38.487 0.014 0.000 1.156 229 N HN 0.338 nan 8.380 nan 0.000 0.489 230 I N 3.236 123.818 120.570 0.021 0.000 2.423 230 I HA -0.295 3.875 4.170 0.000 0.000 0.254 230 I C 1.899 178.025 176.117 0.016 0.000 1.151 230 I CA 1.176 62.489 61.300 0.022 0.000 1.421 230 I CB 0.202 38.216 38.000 0.022 0.000 1.079 230 I HN 0.428 nan 8.210 nan 0.000 0.431 231 R N 0.830 121.338 120.500 0.012 0.000 2.119 231 R HA -0.242 4.098 4.340 0.000 0.000 0.246 231 R C 1.942 178.246 176.300 0.007 0.000 1.146 231 R CA 2.163 58.268 56.100 0.009 0.000 0.962 231 R CB -0.479 29.825 30.300 0.007 0.000 0.863 231 R HN 0.573 nan 8.270 nan 0.000 0.442 232 E N -0.178 120.027 120.200 0.009 0.000 2.265 232 E HA -0.171 4.179 4.350 0.000 0.000 0.196 232 E C 1.910 178.513 176.600 0.005 0.000 0.996 232 E CA 0.855 57.258 56.400 0.006 0.000 0.832 232 E CB 0.025 29.731 29.700 0.009 0.000 0.756 232 E HN 0.271 nan 8.360 nan 0.000 0.491 233 M N 0.203 119.808 119.600 0.009 0.000 2.115 233 M HA -0.051 4.429 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 1.089 56.394 55.300 0.008 0.000 1.143 233 M CB -1.035 31.576 32.600 0.018 0.000 1.332 233 M HN 0.141 nan 8.290 nan 0.000 0.421 234 L N 0.616 121.841 121.223 0.003 0.000 2.143 234 L HA -0.283 4.057 4.340 0.000 0.000 0.231 234 L C -0.437 176.428 176.870 -0.009 0.000 1.106 234 L CA 2.074 56.913 54.840 -0.001 0.000 0.827 234 L CB -2.863 39.196 42.059 0.000 0.000 0.915 234 L HN 0.218 nan 8.230 nan 0.000 0.448 235 P HA -0.111 nan 4.420 nan 0.000 0.226 235 P C 1.382 178.663 177.300 -0.032 0.000 1.146 235 P CA 1.378 64.467 63.100 -0.019 0.000 0.773 235 P CB 0.201 31.891 31.700 -0.016 0.000 0.772 236 V N -1.327 118.567 119.914 -0.032 0.000 3.359 236 V HA 0.070 4.190 4.120 0.000 0.000 0.245 236 V C 2.451 178.516 176.094 -0.050 0.000 1.247 236 V CA 0.237 62.506 62.300 -0.053 0.000 1.145 236 V CB -0.511 31.283 31.823 -0.048 0.000 0.906 236 V HN -0.043 nan 8.190 nan 0.000 0.464 237 L N 0.281 121.491 121.223 -0.022 0.000 2.456 237 L HA -0.072 4.268 4.340 0.000 0.000 0.224 237 L C 2.226 179.091 176.870 -0.009 0.000 1.148 237 L CA 1.472 56.308 54.840 -0.007 0.000 0.825 237 L CB -0.183 41.882 42.059 0.010 0.000 0.937 237 L HN 0.469 nan 8.230 nan 0.000 0.450 238 E N -0.477 119.711 120.200 -0.019 0.000 2.251 238 E HA 0.040 4.390 4.350 0.000 0.000 0.194 238 E C 2.126 178.707 176.600 -0.031 0.000 0.964 238 E CA 0.619 57.009 56.400 -0.016 0.000 0.868 238 E CB 0.140 29.833 29.700 -0.013 0.000 0.828 238 E HN 0.387 nan 8.360 nan 0.000 0.481 239 A N 0.968 123.755 122.820 -0.056 0.000 2.168 239 A HA -0.020 4.300 4.320 0.000 0.000 0.215 239 A C 1.988 179.499 177.584 -0.121 0.000 1.152 239 A CA 0.651 52.638 52.037 -0.084 0.000 0.716 239 A CB 0.087 19.022 19.000 -0.108 0.000 0.794 239 A HN 0.078 nan 8.150 nan 0.000 0.465 240 V N -1.262 118.592 119.914 -0.099 0.000 3.621 240 V HA 0.139 4.259 4.120 0.000 0.000 0.285 240 V C 2.329 178.435 176.094 0.019 0.000 1.346 240 V CA 0.837 63.089 62.300 -0.079 0.000 1.104 240 V CB 0.038 31.818 31.823 -0.072 0.000 0.913 240 V HN 0.533 nan 8.190 nan 0.000 0.432 241 A N -0.269 122.557 122.820 0.010 0.000 1.975 241 A HA 0.079 4.399 4.320 0.000 0.000 0.215 241 A C 1.445 179.051 177.584 0.037 0.000 1.170 241 A CA 0.719 52.773 52.037 0.029 0.000 0.656 241 A CB 0.020 19.031 19.000 0.017 0.000 0.821 241 A HN 0.454 nan 8.150 nan 0.000 0.449 242 K N -2.157 118.258 120.400 0.025 0.000 2.118 242 K HA 0.432 4.752 4.320 0.000 0.000 0.240 242 K C 1.071 177.714 176.600 0.072 0.000 1.035 242 K CA 0.300 56.608 56.287 0.034 0.000 0.899 242 K CB 0.318 32.827 32.500 0.015 0.000 1.085 242 K HN 0.598 nan 8.250 nan 0.000 0.498 243 A N 0.290 123.158 122.820 0.081 0.000 4.115 243 A HA -0.241 4.079 4.320 0.000 0.000 0.268 243 A C 1.206 178.865 177.584 0.124 0.000 0.917 243 A CA 1.809 53.922 52.037 0.126 0.000 1.090 243 A CB -2.441 16.695 19.000 0.227 0.000 1.067 243 A HN 1.394 nan 8.150 nan 0.000 0.828 244 G N -1.247 107.616 108.800 0.104 0.000 2.321 244 G HA2 -0.313 3.647 3.960 0.000 0.000 0.287 244 G HA3 -0.313 3.647 3.960 0.000 0.000 0.287 244 G C -0.018 174.938 174.900 0.094 0.000 1.018 244 G CA 1.517 46.668 45.100 0.085 0.000 0.855 244 G HN 1.168 nan 8.290 nan 0.000 0.507 245 K N 0.713 121.207 120.400 0.156 0.000 2.203 245 K HA 0.522 4.842 4.320 0.000 0.000 0.251 245 K C -2.017 174.686 176.600 0.171 0.000 0.944 245 K CA -1.999 54.362 56.287 0.123 0.000 0.829 245 K CB 2.356 34.881 32.500 0.041 0.000 1.125 245 K HN 0.068 nan 8.250 nan 0.000 0.430 246 P HA 0.122 nan 4.420 nan 0.000 0.274 246 P C -1.126 176.266 177.300 0.153 0.000 1.260 246 P CA -0.523 62.642 63.100 0.109 0.000 0.793 246 P CB 0.647 32.386 31.700 0.067 0.000 1.048 247 L N 0.294 121.591 121.223 0.124 0.000 2.401 247 L HA 0.567 4.907 4.340 0.000 0.000 0.266 247 L C -1.423 175.487 176.870 0.066 0.000 0.991 247 L CA -1.038 53.880 54.840 0.131 0.000 0.818 247 L CB 1.702 43.833 42.059 0.120 0.000 1.321 247 L HN 0.177 nan 8.230 nan 0.000 0.413 248 L N 5.097 126.359 121.223 0.066 0.000 2.329 248 L HA 0.665 5.005 4.340 0.000 0.000 0.279 248 L C -1.226 175.661 176.870 0.028 0.000 1.014 248 L CA -0.235 54.618 54.840 0.022 0.000 0.814 248 L CB 1.456 43.535 42.059 0.033 0.000 1.257 248 L HN 0.429 nan 8.230 nan 0.000 0.424 249 I N 6.786 127.354 120.570 -0.004 0.000 2.362 249 I HA 0.381 4.551 4.170 0.000 0.000 0.289 249 I C -0.398 175.734 176.117 0.025 0.000 0.994 249 I CA -0.283 61.024 61.300 0.012 0.000 1.158 249 I CB 1.228 39.231 38.000 0.005 0.000 1.315 249 I HN 0.534 nan 8.210 nan 0.000 0.451 250 I N 5.729 126.320 120.570 0.034 0.000 2.439 250 I HA 0.678 4.848 4.170 0.000 0.000 0.283 250 I C -0.032 176.090 176.117 0.008 0.000 1.023 250 I CA -0.240 61.077 61.300 0.029 0.000 1.100 250 I CB 1.777 39.795 38.000 0.030 0.000 1.238 250 I HN 0.708 nan 8.210 nan 0.000 0.445 251 A N 4.325 127.150 122.820 0.009 0.000 2.588 251 A HA 0.424 4.744 4.320 0.000 0.000 0.290 251 A C 0.623 178.212 177.584 0.009 0.000 1.136 251 A CA -0.540 51.501 52.037 0.007 0.000 0.681 251 A CB 1.401 20.411 19.000 0.017 0.000 1.282 251 A HN 0.713 nan 8.150 nan 0.000 0.421 252 E N -0.573 119.634 120.200 0.012 0.000 2.147 252 E HA -0.154 4.196 4.350 0.000 0.000 0.199 252 E C 0.122 176.740 176.600 0.030 0.000 1.005 252 E CA 2.131 58.543 56.400 0.020 0.000 0.810 252 E CB 0.070 29.784 29.700 0.023 0.000 0.736 252 E HN 0.640 nan 8.360 nan 0.000 0.460 253 D N -3.107 117.313 120.400 0.034 0.000 2.940 253 D HA 0.116 4.755 4.640 0.000 0.000 0.304 253 D C -2.082 174.247 176.300 0.049 0.000 1.255 253 D CA -0.372 53.655 54.000 0.044 0.000 0.734 253 D CB 1.036 41.863 40.800 0.044 0.000 1.261 253 D HN -0.133 nan 8.370 nan 0.000 0.436 254 V N 1.537 121.488 119.914 0.061 0.000 2.532 254 V HA 0.422 4.542 4.120 0.000 0.000 0.294 254 V C -0.552 175.585 176.094 0.071 0.000 1.036 254 V CA -0.683 61.657 62.300 0.067 0.000 0.876 254 V CB 1.584 33.458 31.823 0.085 0.000 1.012 254 V HN 0.442 nan 8.190 nan 0.000 0.432 255 E N 2.401 122.636 120.200 0.057 0.000 2.250 255 E HA 0.464 4.814 4.350 0.000 0.000 0.269 255 E C 1.423 178.054 176.600 0.051 0.000 1.018 255 E CA -0.132 56.299 56.400 0.052 0.000 0.873 255 E CB 1.630 31.354 29.700 0.040 0.000 1.134 255 E HN 0.772 nan 8.360 nan 0.000 0.403 256 G N 1.658 110.486 108.800 0.046 0.000 3.437 256 G HA2 -0.420 3.540 3.960 0.000 0.000 0.238 256 G HA3 -0.420 3.540 3.960 0.000 0.000 0.238 256 G C 1.221 176.142 174.900 0.035 0.000 1.054 256 G CA 1.672 46.796 45.100 0.040 0.000 0.704 256 G HN 0.543 nan 8.290 nan 0.000 0.713 257 E N 0.723 120.943 120.200 0.034 0.000 2.002 257 E HA 0.136 4.486 4.350 0.000 0.000 0.196 257 E C 2.937 179.558 176.600 0.035 0.000 0.974 257 E CA 0.954 57.371 56.400 0.029 0.000 0.853 257 E CB -0.865 28.850 29.700 0.025 0.000 0.808 257 E HN 0.333 nan 8.360 nan 0.000 0.492 258 A N 1.007 123.851 122.820 0.041 0.000 2.234 258 A HA -0.144 4.176 4.320 0.000 0.000 0.216 258 A C 2.066 179.693 177.584 0.072 0.000 1.167 258 A CA 1.140 53.206 52.037 0.050 0.000 0.698 258 A CB -0.467 18.562 19.000 0.048 0.000 0.779 258 A HN 0.327 nan 8.150 nan 0.000 0.475 259 L N -0.610 120.658 121.223 0.076 0.000 2.056 259 L HA 0.213 4.553 4.340 0.000 0.000 0.202 259 L C 2.508 179.425 176.870 0.078 0.000 1.086 259 L CA 2.108 57.013 54.840 0.107 0.000 0.758 259 L CB -1.016 41.105 42.059 0.104 0.000 0.912 259 L HN 0.223 nan 8.230 nan 0.000 0.446 260 A N -1.655 121.192 122.820 0.044 0.000 2.234 260 A HA -0.130 4.190 4.320 0.000 0.000 0.216 260 A C 2.051 179.632 177.584 -0.005 0.000 1.167 260 A CA 1.877 53.919 52.037 0.008 0.000 0.698 260 A CB -1.068 17.935 19.000 0.005 0.000 0.779 260 A HN 0.600 nan 8.150 nan 0.000 0.475 261 T N -0.088 114.478 114.554 0.020 0.000 2.814 261 T HA 0.052 4.402 4.350 0.000 0.000 0.254 261 T C 1.757 176.473 174.700 0.026 0.000 1.037 261 T CA 1.177 63.288 62.100 0.018 0.000 1.143 261 T CB -0.242 68.644 68.868 0.030 0.000 0.866 261 T HN 0.412 nan 8.240 nan 0.000 0.431 262 L N 1.118 122.382 121.223 0.069 0.000 2.156 262 L HA 0.001 4.341 4.340 0.000 0.000 0.208 262 L C 2.528 179.433 176.870 0.057 0.000 1.095 262 L CA 0.592 55.500 54.840 0.114 0.000 0.770 262 L CB -0.723 41.469 42.059 0.221 0.000 0.914 262 L HN 0.113 nan 8.230 nan 0.000 0.439 263 V N -0.429 119.461 119.914 -0.040 0.000 2.688 263 V HA -0.209 3.911 4.120 0.000 0.000 0.256 263 V C 2.133 178.102 176.094 -0.209 0.000 1.084 263 V CA 1.306 63.459 62.300 -0.244 0.000 1.103 263 V CB -0.175 31.523 31.823 -0.209 0.000 0.688 263 V HN 0.270 nan 8.190 nan 0.000 0.480 264 V N -1.034 118.810 119.914 -0.117 0.000 3.048 264 V HA -0.009 4.111 4.120 0.000 0.000 0.241 264 V C 1.907 177.964 176.094 -0.061 0.000 1.129 264 V CA 1.081 63.313 62.300 -0.113 0.000 1.128 264 V CB -0.465 31.303 31.823 -0.092 0.000 0.849 264 V HN 0.496 nan 8.190 nan 0.000 0.475 265 N N 0.984 119.672 118.700 -0.021 0.000 2.084 265 N HA -0.169 4.571 4.740 0.000 0.000 0.190 265 N C 1.778 177.298 175.510 0.016 0.000 1.030 265 N CA 1.900 54.953 53.050 0.004 0.000 0.849 265 N CB -0.038 38.465 38.487 0.026 0.000 1.012 265 N HN 0.587 nan 8.380 nan 0.000 0.423 266 T N -1.664 112.914 114.554 0.040 0.000 3.194 266 T HA 0.072 4.422 4.350 0.000 0.000 0.251 266 T C 1.404 176.119 174.700 0.026 0.000 1.132 266 T CA 0.122 62.259 62.100 0.062 0.000 1.028 266 T CB 0.107 69.058 68.868 0.140 0.000 0.976 266 T HN 0.031 nan 8.240 nan 0.000 0.535 267 M N 0.682 120.268 119.600 -0.023 0.000 2.447 267 M HA 0.391 4.871 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 1.054 56.318 55.300 -0.059 0.000 1.166 267 M CB 0.108 32.629 32.600 -0.132 0.000 1.349 267 M HN 0.062 nan 8.290 nan 0.000 0.463 268 R N -0.526 119.957 120.500 -0.029 0.000 2.297 268 R HA 0.293 4.633 4.340 0.000 0.000 0.197 268 R C 0.876 177.175 176.300 -0.003 0.000 0.943 268 R CA 0.712 56.801 56.100 -0.019 0.000 1.038 268 R CB 0.078 30.367 30.300 -0.019 0.000 0.957 268 R HN 0.601 nan 8.270 nan 0.000 0.484 269 G N 1.111 109.915 108.800 0.007 0.000 2.148 269 G HA2 -0.213 3.747 3.960 0.000 0.000 0.203 269 G HA3 -0.213 3.747 3.960 0.000 0.000 0.203 269 G C 0.116 175.030 174.900 0.024 0.000 0.993 269 G CA -0.535 44.576 45.100 0.019 0.000 0.661 269 G HN 0.210 nan 8.290 nan 0.000 0.518 270 I N 1.909 122.493 120.570 0.022 0.000 2.241 270 I HA 0.386 4.556 4.170 0.000 0.000 0.294 270 I C 0.815 176.956 176.117 0.039 0.000 1.145 270 I CA -0.791 60.524 61.300 0.025 0.000 1.261 270 I CB 0.636 38.646 38.000 0.017 0.000 1.475 270 I HN 0.096 nan 8.210 nan 0.000 0.533 271 V N 4.671 124.613 119.914 0.046 0.000 3.814 271 V HA -0.241 3.879 4.120 0.000 0.000 0.480 271 V C 0.185 176.325 176.094 0.076 0.000 0.682 271 V CA 0.431 62.767 62.300 0.060 0.000 1.959 271 V CB -1.496 30.361 31.823 0.056 0.000 2.372 271 V HN 0.757 nan 8.190 nan 0.000 0.501 272 K N 3.996 124.445 120.400 0.082 0.000 2.368 272 K HA 0.689 5.009 4.320 0.000 0.000 0.282 272 K C -0.172 176.496 176.600 0.114 0.000 1.035 272 K CA -0.118 56.231 56.287 0.105 0.000 0.973 272 K CB 1.332 33.889 32.500 0.094 0.000 0.957 272 K HN 0.529 nan 8.250 nan 0.000 0.474 273 V N 0.655 120.660 119.914 0.152 0.000 3.159 273 V HA 0.871 4.991 4.120 0.000 0.000 0.308 273 V C -1.133 174.986 176.094 0.042 0.000 1.190 273 V CA -1.063 61.300 62.300 0.105 0.000 1.037 273 V CB 2.238 34.127 31.823 0.110 0.000 1.060 273 V HN 0.821 nan 8.190 nan 0.000 0.437 274 A N 1.312 124.002 122.820 -0.216 0.000 2.594 274 A HA 1.037 5.357 4.320 0.000 0.000 0.295 274 A C -0.914 176.375 177.584 -0.493 0.000 1.071 274 A CA -0.050 51.503 52.037 -0.806 0.000 0.685 274 A CB 1.953 20.597 19.000 -0.594 0.000 1.285 274 A HN 1.952 nan 8.150 nan 0.000 0.405 275 A N 0.165 122.634 122.820 -0.585 0.000 2.498 275 A HA 0.932 5.252 4.320 0.000 0.000 0.298 275 A C -0.662 176.872 177.584 -0.082 0.000 1.075 275 A CA -0.094 51.830 52.037 -0.188 0.000 0.714 275 A CB 1.574 20.539 19.000 -0.058 0.000 1.299 275 A HN 2.365 nan 8.150 nan 0.000 0.407 276 V N -1.362 118.563 119.914 0.019 0.000 2.969 276 V HA 0.555 4.675 4.120 0.000 0.000 0.304 276 V C -0.603 175.547 176.094 0.093 0.000 1.192 276 V CA -1.326 61.025 62.300 0.084 0.000 0.962 276 V CB 1.317 33.219 31.823 0.132 0.000 1.045 276 V HN 0.911 nan 8.190 nan 0.000 0.428 277 K N 2.224 122.679 120.400 0.091 0.000 2.469 277 K HA 0.508 4.828 4.320 0.000 0.000 0.274 277 K C 0.803 177.421 176.600 0.030 0.000 0.983 277 K CA 0.517 56.841 56.287 0.062 0.000 0.974 277 K CB 0.762 33.300 32.500 0.063 0.000 0.913 277 K HN 1.149 nan 8.250 nan 0.000 0.493 278 A N 4.164 126.970 122.820 -0.023 0.000 2.364 278 A HA 0.178 4.498 4.320 0.000 0.000 0.258 278 A C -2.025 175.458 177.584 -0.169 0.000 1.131 278 A CA -0.739 51.222 52.037 -0.127 0.000 0.800 278 A CB -0.498 18.447 19.000 -0.093 0.000 1.086 278 A HN 0.545 nan 8.150 nan 0.000 0.508 279 P HA 0.406 nan 4.420 nan 0.000 0.284 279 P C 0.689 177.954 177.300 -0.060 0.000 1.253 279 P CA 1.108 64.067 63.100 -0.234 0.000 0.800 279 P CB 0.877 32.336 31.700 -0.401 0.000 0.961 280 G N 2.842 111.669 108.800 0.044 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 -0.512 174.550 174.900 0.271 0.000 1.277 280 G CA 0.727 45.922 45.100 0.159 0.000 0.959 280 G HN 0.770 nan 8.290 nan 0.000 0.554 281 F N -3.411 116.537 119.950 -0.003 0.000 2.831 281 F HA 0.729 5.256 4.527 0.000 0.000 0.318 281 F C 0.936 176.742 175.800 0.010 0.000 1.174 281 F CA 0.388 58.389 58.000 0.002 0.000 0.918 281 F CB 0.700 39.707 39.000 0.013 0.000 1.364 281 F HN 2.451 nan 8.300 nan 0.000 0.475 282 G N 0.973 109.776 108.800 0.003 0.000 2.527 282 G HA2 -0.256 3.704 3.960 0.000 0.000 0.268 282 G HA3 -0.256 3.704 3.960 0.000 0.000 0.268 282 G C 0.161 175.002 174.900 -0.098 0.000 1.175 282 G CA 0.507 45.544 45.100 -0.105 0.000 0.962 282 G HN 0.913 nan 8.290 nan 0.000 0.560 283 D N 0.974 121.299 120.400 -0.125 0.000 2.249 283 D HA -0.012 4.628 4.640 0.000 0.000 0.205 283 D C 2.533 178.774 176.300 -0.098 0.000 0.962 283 D CA 1.180 55.130 54.000 -0.083 0.000 0.860 283 D CB -0.018 40.745 40.800 -0.062 0.000 0.955 283 D HN 0.635 nan 8.370 nan 0.000 0.505 284 R N 1.131 121.542 120.500 -0.148 0.000 2.276 284 R HA 0.066 4.406 4.340 0.000 0.000 0.203 284 R C 2.093 178.322 176.300 -0.118 0.000 1.017 284 R CA 0.352 56.371 56.100 -0.135 0.000 1.010 284 R CB -0.234 29.965 30.300 -0.167 0.000 0.900 284 R HN 0.005 nan 8.270 nan 0.000 0.469 285 R N 2.119 122.550 120.500 -0.114 0.000 2.066 285 R HA -0.059 4.281 4.340 0.000 0.000 0.232 285 R C 1.229 177.488 176.300 -0.068 0.000 1.131 285 R CA 1.521 57.575 56.100 -0.077 0.000 0.955 285 R CB -0.046 30.235 30.300 -0.031 0.000 0.851 285 R HN 0.221 nan 8.270 nan 0.000 0.432 286 K N -0.095 120.272 120.400 -0.055 0.000 2.442 286 K HA -0.020 4.300 4.320 0.000 0.000 0.198 286 K C 1.675 178.246 176.600 -0.049 0.000 1.042 286 K CA 0.894 57.154 56.287 -0.044 0.000 0.958 286 K CB 0.184 32.665 32.500 -0.032 0.000 0.766 286 K HN 0.271 nan 8.250 nan 0.000 0.474 287 A N 0.880 123.664 122.820 -0.059 0.000 1.909 287 A HA 0.068 4.388 4.320 0.000 0.000 0.209 287 A C 2.038 179.585 177.584 -0.062 0.000 1.247 287 A CA 0.233 52.237 52.037 -0.055 0.000 0.660 287 A CB -0.199 18.767 19.000 -0.057 0.000 0.910 287 A HN 0.049 nan 8.150 nan 0.000 0.465 288 M N -0.353 119.200 119.600 -0.078 0.000 2.082 288 M HA -0.179 4.301 4.480 0.000 0.000 0.258 288 M C 2.251 178.490 176.300 -0.101 0.000 1.069 288 M CA 1.845 57.091 55.300 -0.089 0.000 1.102 288 M CB -0.488 32.044 32.600 -0.113 0.000 1.336 288 M HN 0.535 nan 8.290 nan 0.000 0.404 289 L N 0.200 121.356 121.223 -0.110 0.000 2.129 289 L HA -0.282 4.058 4.340 0.000 0.000 0.212 289 L C 2.485 179.316 176.870 -0.064 0.000 1.087 289 L CA 1.573 56.348 54.840 -0.107 0.000 0.757 289 L CB -0.263 41.742 42.059 -0.091 0.000 0.896 289 L HN 0.318 nan 8.230 nan 0.000 0.434 290 Q N 0.054 119.824 119.800 -0.050 0.000 2.167 290 Q HA -0.213 4.127 4.340 0.000 0.000 0.202 290 Q C 1.669 177.654 176.000 -0.024 0.000 0.970 290 Q CA 2.002 57.787 55.803 -0.031 0.000 0.855 290 Q CB -0.182 28.540 28.738 -0.028 0.000 0.911 290 Q HN 0.546 nan 8.270 nan 0.000 0.438 291 D N 0.192 120.574 120.400 -0.029 0.000 2.084 291 D HA -0.164 4.476 4.640 0.000 0.000 0.194 291 D C 1.903 178.201 176.300 -0.004 0.000 0.990 291 D CA 1.447 55.437 54.000 -0.016 0.000 0.826 291 D CB -0.300 40.490 40.800 -0.018 0.000 0.971 291 D HN 0.358 nan 8.370 nan 0.000 0.453 292 I N 1.354 121.919 120.570 -0.010 0.000 2.300 292 I HA -0.323 3.847 4.170 0.000 0.000 0.252 292 I C 2.446 178.575 176.117 0.020 0.000 1.119 292 I CA 1.077 62.386 61.300 0.016 0.000 1.384 292 I CB -0.212 37.787 38.000 -0.002 0.000 1.062 292 I HN -0.056 nan 8.210 nan 0.000 0.426 293 A N 0.452 123.275 122.820 0.006 0.000 1.841 293 A HA -0.186 4.134 4.320 0.000 0.000 0.214 293 A C 2.377 179.970 177.584 0.015 0.000 1.195 293 A CA 2.359 54.404 52.037 0.012 0.000 0.611 293 A CB -1.120 17.882 19.000 0.004 0.000 0.835 293 A HN 0.366 nan 8.150 nan 0.000 0.443 294 T N 0.739 115.298 114.554 0.009 0.000 2.720 294 T HA -0.137 4.213 4.350 0.000 0.000 0.268 294 T C 1.822 176.530 174.700 0.013 0.000 1.037 294 T CA 1.295 63.401 62.100 0.009 0.000 1.144 294 T CB -0.355 68.515 68.868 0.003 0.000 0.864 294 T HN 0.296 nan 8.240 nan 0.000 0.444 295 L N 2.166 123.399 121.223 0.016 0.000 2.131 295 L HA -0.051 4.289 4.340 0.000 0.000 0.210 295 L C 1.821 178.706 176.870 0.024 0.000 1.092 295 L CA 2.145 56.997 54.840 0.021 0.000 0.759 295 L CB -1.222 40.854 42.059 0.029 0.000 0.903 295 L HN 0.459 nan 8.230 nan 0.000 0.435 296 T N -3.812 110.759 114.554 0.029 0.000 3.266 296 T HA 0.366 4.716 4.350 0.000 0.000 0.278 296 T C 1.029 175.751 174.700 0.037 0.000 1.010 296 T CA 0.122 62.242 62.100 0.033 0.000 0.909 296 T CB -0.309 68.585 68.868 0.044 0.000 1.122 296 T HN 0.511 nan 8.240 nan 0.000 0.536 297 G N 0.205 109.023 108.800 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 0.383 175.309 174.900 0.042 0.000 0.979 297 G CA 0.011 45.130 45.100 0.032 0.000 1.193 297 G HN 1.143 nan 8.290 nan 0.000 0.508 298 G N -1.548 107.274 108.800 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 -0.666 174.247 174.900 0.023 0.000 1.302 298 G CA 0.298 45.421 45.100 0.038 0.000 0.880 298 G HN 0.833 nan 8.290 nan 0.000 0.574 299 T N -0.453 114.112 114.554 0.018 0.000 2.916 299 T HA 0.522 4.872 4.350 0.000 0.000 0.305 299 T C -0.618 174.085 174.700 0.005 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 0.006 0.000 1.129 299 T HN 0.424 nan 8.240 nan 0.000 0.480 300 V N 2.844 122.758 119.914 -0.000 0.000 2.583 300 V HA 0.390 4.510 4.120 0.000 0.000 0.287 300 V C 0.008 176.100 176.094 -0.004 0.000 1.051 300 V CA -0.445 61.852 62.300 -0.004 0.000 1.010 300 V CB 0.697 32.514 31.823 -0.010 0.000 0.988 300 V HN 0.723 nan 8.190 nan 0.000 0.478 301 I N 4.983 125.551 120.570 -0.003 0.000 2.412 301 I HA 0.331 4.501 4.170 0.000 0.000 0.279 301 I C 0.284 176.400 176.117 -0.002 0.000 1.063 301 I CA 0.058 61.356 61.300 -0.002 0.000 1.193 301 I CB 0.951 38.950 38.000 -0.001 0.000 1.370 301 I HN 0.726 nan 8.210 nan 0.000 0.479 302 S N 2.706 118.404 115.700 -0.003 0.000 2.621 302 S HA 0.454 4.924 4.470 0.000 0.000 0.302 302 S C 0.453 175.053 174.600 -0.001 0.000 1.093 302 S CA -0.826 57.373 58.200 -0.002 0.000 1.017 302 S CB 2.161 65.358 63.200 -0.004 0.000 1.077 302 S HN 0.554 nan 8.310 nan 0.000 0.517 303 E N 0.356 120.557 120.200 0.001 0.000 2.442 303 E HA -0.018 4.332 4.350 0.000 0.000 0.195 303 E C 1.071 177.672 176.600 0.001 0.000 1.030 303 E CA 0.325 56.726 56.400 0.002 0.000 0.869 303 E CB -0.025 29.678 29.700 0.004 0.000 0.857 303 E HN 0.748 nan 8.360 nan 0.000 0.505 304 E N 0.455 120.656 120.200 0.000 0.000 2.338 304 E HA -0.094 4.256 4.350 0.000 0.000 0.197 304 E C 1.427 178.027 176.600 -0.001 0.000 1.007 304 E CA 0.688 57.088 56.400 -0.000 0.000 0.849 304 E CB 0.150 29.849 29.700 -0.001 0.000 0.774 304 E HN 0.343 nan 8.360 nan 0.000 0.506 305 I N -0.936 119.633 120.570 -0.001 0.000 4.154 305 I HA 0.190 4.360 4.170 0.000 0.000 0.334 305 I C 0.888 177.004 176.117 -0.001 0.000 1.371 305 I CA 0.038 61.337 61.300 -0.002 0.000 1.110 305 I CB 0.984 38.983 38.000 -0.003 0.000 1.085 305 I HN 0.097 nan 8.210 nan 0.000 0.398 306 G N 2.166 110.966 108.800 -0.001 0.000 2.165 306 G HA2 -0.227 3.733 3.960 0.000 0.000 0.226 306 G HA3 -0.227 3.733 3.960 0.000 0.000 0.226 306 G C -0.014 174.885 174.900 -0.001 0.000 1.035 306 G CA -0.339 44.760 45.100 -0.000 0.000 0.744 306 G HN 0.237 nan 8.290 nan 0.000 0.501 307 M N 0.279 119.878 119.600 -0.001 0.000 2.300 307 M HA 0.523 5.003 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 -0.219 55.080 55.300 -0.002 0.000 1.046 307 M CB 1.474 34.072 32.600 -0.002 0.000 1.647 307 M HN 0.219 nan 8.290 nan 0.000 0.451 308 E N 2.034 122.232 120.200 -0.002 0.000 2.227 308 E HA 0.327 4.677 4.350 0.000 0.000 0.268 308 E C 0.212 176.810 176.600 -0.003 0.000 0.907 308 E CA -0.557 55.842 56.400 -0.002 0.000 0.786 308 E CB 2.234 31.933 29.700 -0.002 0.000 1.191 308 E HN 0.683 nan 8.360 nan 0.000 0.411 309 L N 1.612 122.834 121.223 -0.002 0.000 2.362 309 L HA -0.146 4.194 4.340 0.000 0.000 0.219 309 L C 1.452 178.317 176.870 -0.008 0.000 1.134 309 L CA 0.908 55.746 54.840 -0.004 0.000 0.807 309 L CB -0.203 41.856 42.059 0.001 0.000 0.927 309 L HN 0.523 nan 8.230 nan 0.000 0.447 310 E N 0.384 120.581 120.200 -0.006 0.000 2.158 310 E HA -0.064 4.286 4.350 0.000 0.000 0.191 310 E C 0.658 177.251 176.600 -0.012 0.000 0.982 310 E CA 0.825 57.220 56.400 -0.009 0.000 0.823 310 E CB 0.115 29.812 29.700 -0.005 0.000 0.766 310 E HN 0.264 nan 8.360 nan 0.000 0.468 311 K N 0.704 121.097 120.400 -0.011 0.000 2.765 311 K HA 0.519 4.839 4.320 0.000 0.000 0.246 311 K C -0.920 175.671 176.600 -0.015 0.000 1.254 311 K CA -0.232 56.048 56.287 -0.012 0.000 1.219 311 K CB 0.949 33.444 32.500 -0.008 0.000 1.747 311 K HN -0.052 nan 8.250 nan 0.000 0.372 312 A N 1.127 123.934 122.820 -0.022 0.000 2.442 312 A HA 0.350 4.670 4.320 0.000 0.000 0.284 312 A C 0.229 177.787 177.584 -0.044 0.000 1.058 312 A CA -0.759 51.261 52.037 -0.028 0.000 0.738 312 A CB 0.727 19.712 19.000 -0.025 0.000 1.242 312 A HN 0.375 nan 8.150 nan 0.000 0.421 313 T N 0.074 114.601 114.554 -0.046 0.000 3.018 313 T HA 0.474 4.824 4.350 0.000 0.000 0.338 313 T C 1.081 175.718 174.700 -0.105 0.000 1.208 313 T CA -0.154 61.907 62.100 -0.065 0.000 0.963 313 T CB 0.036 68.876 68.868 -0.047 0.000 1.697 313 T HN 0.379 nan 8.240 nan 0.000 0.560 314 L N -0.016 121.127 121.223 -0.133 0.000 2.567 314 L HA 0.267 4.607 4.340 0.000 0.000 0.225 314 L C 2.761 179.571 176.870 -0.099 0.000 1.119 314 L CA 0.500 55.202 54.840 -0.230 0.000 0.871 314 L CB -0.357 41.516 42.059 -0.309 0.000 1.036 314 L HN 0.796 nan 8.230 nan 0.000 0.459 315 E N 0.521 120.698 120.200 -0.039 0.000 2.170 315 E HA -0.165 4.185 4.350 0.000 0.000 0.191 315 E C 0.943 177.553 176.600 0.016 0.000 0.981 315 E CA 0.738 57.144 56.400 0.009 0.000 0.830 315 E CB 0.335 30.039 29.700 0.006 0.000 0.775 315 E HN 0.393 nan 8.360 nan 0.000 0.470 316 D N 0.388 120.786 120.400 -0.004 0.000 2.363 316 D HA -0.003 4.637 4.640 0.000 0.000 0.226 316 D C -0.204 176.106 176.300 0.016 0.000 1.020 316 D CA 0.313 54.315 54.000 0.004 0.000 0.892 316 D CB 0.239 41.034 40.800 -0.007 0.000 0.900 316 D HN 0.117 nan 8.370 nan 0.000 0.531 317 L N 0.327 121.565 121.223 0.025 0.000 2.343 317 L HA 0.399 4.739 4.340 0.000 0.000 0.275 317 L C 1.290 178.241 176.870 0.135 0.000 1.056 317 L CA -0.528 54.353 54.840 0.068 0.000 0.804 317 L CB 1.412 43.493 42.059 0.038 0.000 1.203 317 L HN -0.175 nan 8.230 nan 0.000 0.440 318 G N 1.045 109.921 108.800 0.128 0.000 2.599 318 G HA2 0.483 4.443 3.960 0.000 0.000 0.264 318 G HA3 0.483 4.443 3.960 0.000 0.000 0.264 318 G C -0.998 173.992 174.900 0.150 0.000 1.200 318 G CA -0.166 45.002 45.100 0.113 0.000 0.896 318 G HN 0.600 nan 8.290 nan 0.000 0.536 319 Q N -1.020 118.825 119.800 0.076 0.000 2.378 319 Q HA 0.549 4.889 4.340 0.000 0.000 0.262 319 Q C -1.117 174.865 176.000 -0.030 0.000 0.978 319 Q CA -0.715 55.088 55.803 -0.001 0.000 0.918 319 Q CB 1.794 30.511 28.738 -0.034 0.000 1.415 319 Q HN 0.973 nan 8.270 nan 0.000 0.409 320 A N 2.588 125.372 122.820 -0.060 0.000 2.524 320 A HA 0.603 4.923 4.320 0.000 0.000 0.286 320 A C -0.797 176.744 177.584 -0.071 0.000 1.203 320 A CA -0.644 51.365 52.037 -0.046 0.000 0.736 320 A CB 1.592 20.579 19.000 -0.022 0.000 1.322 320 A HN 0.757 nan 8.150 nan 0.000 0.424 321 K N -0.524 119.844 120.400 -0.052 0.000 2.387 321 K HA 0.309 4.629 4.320 0.000 0.000 0.198 321 K C -0.025 176.549 176.600 -0.044 0.000 1.022 321 K CA 0.342 56.597 56.287 -0.054 0.000 1.128 321 K CB 0.349 32.825 32.500 -0.041 0.000 0.853 321 K HN 0.514 nan 8.250 nan 0.000 0.523 322 R N -0.018 120.458 120.500 -0.040 0.000 4.584 322 R HA 0.037 4.377 4.340 0.000 0.000 0.251 322 R C -2.182 174.100 176.300 -0.030 0.000 0.957 322 R CA -0.478 55.603 56.100 -0.032 0.000 1.195 322 R CB 0.757 31.041 30.300 -0.026 0.000 1.233 322 R HN -0.013 nan 8.270 nan 0.000 0.630 323 V N 0.248 120.145 119.914 -0.028 0.000 2.932 323 V HA 0.889 5.009 4.120 0.000 0.000 0.307 323 V C -1.228 174.846 176.094 -0.033 0.000 1.147 323 V CA -0.715 61.564 62.300 -0.036 0.000 0.951 323 V CB 2.197 34.001 31.823 -0.031 0.000 1.031 323 V HN 0.425 nan 8.190 nan 0.000 0.426 324 V N 4.566 124.449 119.914 -0.052 0.000 2.914 324 V HA 0.702 4.822 4.120 0.000 0.000 0.314 324 V C -0.370 175.686 176.094 -0.063 0.000 1.084 324 V CA -0.504 61.774 62.300 -0.038 0.000 0.963 324 V CB 1.993 33.795 31.823 -0.034 0.000 1.025 324 V HN 1.085 nan 8.190 nan 0.000 0.432 325 I N 0.134 120.690 120.570 -0.023 0.000 2.576 325 I HA 0.506 4.676 4.170 0.000 0.000 0.279 325 I C -0.127 175.985 176.117 -0.009 0.000 1.114 325 I CA -0.582 60.694 61.300 -0.040 0.000 1.076 325 I CB 1.179 39.174 38.000 -0.009 0.000 1.212 325 I HN 0.432 nan 8.210 nan 0.000 0.472 326 N N 4.603 123.249 118.700 -0.091 0.000 2.255 326 N HA 0.011 4.751 4.740 0.000 0.000 0.260 326 N C 1.040 176.282 175.510 -0.447 0.000 1.288 326 N CA -0.062 52.912 53.050 -0.126 0.000 0.894 326 N CB 0.736 39.160 38.487 -0.105 0.000 1.033 326 N HN 0.680 nan 8.380 nan 0.000 0.477 327 K N 0.361 120.485 120.400 -0.460 0.000 2.148 327 K HA -0.153 4.167 4.320 0.000 0.000 0.204 327 K C -0.320 175.904 176.600 -0.627 0.000 1.050 327 K CA 1.780 57.592 56.287 -0.792 0.000 0.942 327 K CB 0.007 32.356 32.500 -0.252 0.000 0.724 327 K HN 0.609 nan 8.250 nan 0.000 0.446 328 D N -1.090 119.112 120.400 -0.331 0.000 2.822 328 D HA 0.103 4.743 4.640 0.000 0.000 0.327 328 D C -1.137 175.085 176.300 -0.129 0.000 1.577 328 D CA -0.485 53.401 54.000 -0.191 0.000 0.785 328 D CB 0.864 41.600 40.800 -0.106 0.000 1.199 328 D HN -0.158 nan 8.370 nan 0.000 0.443 329 T N -0.125 114.329 114.554 -0.166 0.000 3.293 329 T HA 0.461 4.811 4.350 0.000 0.000 0.320 329 T C -0.436 174.136 174.700 -0.213 0.000 0.995 329 T CA -0.456 61.553 62.100 -0.151 0.000 1.041 329 T CB 1.933 70.732 68.868 -0.115 0.000 1.058 329 T HN -0.049 nan 8.240 nan 0.000 0.453 330 T N 1.763 116.105 114.554 -0.353 0.000 2.884 330 T HA 0.820 5.170 4.350 0.000 0.000 0.277 330 T C -0.056 174.328 174.700 -0.527 0.000 0.976 330 T CA -0.576 61.224 62.100 -0.500 0.000 0.956 330 T CB 1.488 69.829 68.868 -0.878 0.000 1.113 330 T HN 0.718 nan 8.240 nan 0.000 0.554 331 T N 0.872 115.158 114.554 -0.446 0.000 4.242 331 T HA 0.319 4.669 4.350 0.000 0.000 0.422 331 T C -1.597 172.999 174.700 -0.173 0.000 1.136 331 T CA -0.599 61.326 62.100 -0.292 0.000 1.071 331 T CB -0.172 68.586 68.868 -0.183 0.000 1.260 331 T HN 0.455 nan 8.240 nan 0.000 0.453 332 I N 5.786 126.286 120.570 -0.118 0.000 2.353 332 I HA 0.518 4.688 4.170 0.000 0.000 0.293 332 I C -0.001 176.098 176.117 -0.029 0.000 0.992 332 I CA -0.954 60.321 61.300 -0.041 0.000 1.268 332 I CB 1.438 39.451 38.000 0.022 0.000 1.387 332 I HN 0.564 nan 8.210 nan 0.000 0.478 333 I N 5.394 125.948 120.570 -0.027 0.000 2.389 333 I HA 0.217 4.387 4.170 0.000 0.000 0.288 333 I C -0.663 175.444 176.117 -0.018 0.000 0.999 333 I CA -0.531 60.755 61.300 -0.023 0.000 1.129 333 I CB 1.442 39.425 38.000 -0.028 0.000 1.288 333 I HN 0.611 nan 8.210 nan 0.000 0.444 334 D N 4.648 125.040 120.400 -0.013 0.000 4.597 334 D HA -0.117 4.523 4.640 0.000 0.000 0.234 334 D C -0.215 176.078 176.300 -0.012 0.000 1.052 334 D CA 1.197 55.190 54.000 -0.012 0.000 1.265 334 D CB 0.189 40.980 40.800 -0.016 0.000 0.738 334 D HN 0.813 nan 8.370 nan 0.000 0.372 335 G N 1.644 110.441 108.800 -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 1.176 176.076 174.900 -0.001 0.000 1.177 335 G CA -0.412 44.688 45.100 -0.001 0.000 0.951 335 G HN 0.455 nan 8.290 nan 0.000 0.485 336 V N 1.195 121.109 119.914 0.000 0.000 2.720 336 V HA -0.006 4.114 4.120 0.000 0.000 0.256 336 V C 2.178 178.277 176.094 0.008 0.000 1.082 336 V CA 1.124 63.426 62.300 0.003 0.000 1.101 336 V CB -1.266 30.562 31.823 0.009 0.000 0.693 336 V HN 0.849 nan 8.190 nan 0.000 0.479 337 G N 1.199 110.006 108.800 0.012 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 -0.074 174.831 174.900 0.008 0.000 1.200 337 G CA -0.085 45.022 45.100 0.012 0.000 0.888 337 G HN 0.581 nan 8.290 nan 0.000 0.482 338 E N 1.825 122.030 120.200 0.008 0.000 2.331 338 E HA 0.068 4.418 4.350 0.000 0.000 0.272 338 E C 0.672 177.274 176.600 0.004 0.000 1.036 338 E CA -0.237 56.166 56.400 0.005 0.000 0.864 338 E CB 1.346 31.049 29.700 0.006 0.000 1.035 338 E HN 0.655 nan 8.360 nan 0.000 0.408 339 E N 1.393 121.594 120.200 0.003 0.000 2.527 339 E HA -0.167 4.183 4.350 0.000 0.000 0.204 339 E C 0.966 177.567 176.600 0.001 0.000 1.132 339 E CA 0.224 56.625 56.400 0.002 0.000 0.905 339 E CB -0.006 29.694 29.700 0.001 0.000 0.875 339 E HN 0.501 nan 8.360 nan 0.000 0.548 340 A N 1.190 124.011 122.820 0.002 0.000 1.884 340 A HA 0.232 4.552 4.320 0.000 0.000 0.212 340 A C 2.291 179.876 177.584 0.001 0.000 1.265 340 A CA 0.739 52.777 52.037 0.002 0.000 0.626 340 A CB -0.416 18.585 19.000 0.002 0.000 0.943 340 A HN 0.279 nan 8.150 nan 0.000 0.466 341 A N -0.492 122.329 122.820 0.002 0.000 2.121 341 A HA 0.109 4.429 4.320 0.000 0.000 0.218 341 A C 1.954 179.538 177.584 0.001 0.000 1.154 341 A CA 1.167 53.206 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 -1.642 118.929 120.570 0.002 0.000 2.429 342 I HA -0.135 4.035 4.170 0.000 0.000 0.247 342 I C 2.542 178.659 176.117 -0.000 0.000 1.099 342 I CA 1.168 62.469 61.300 0.002 0.000 1.422 342 I CB -0.160 37.842 38.000 0.003 0.000 1.112 342 I HN 0.296 nan 8.210 nan 0.000 0.430 343 Q N 1.261 121.060 119.800 -0.001 0.000 2.364 343 Q HA -0.072 4.268 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 1.571 57.373 55.803 -0.002 0.000 0.888 343 Q CB -0.298 28.439 28.738 -0.001 0.000 0.951 343 Q HN 0.472 nan 8.270 nan 0.000 0.469 344 G N -0.574 108.224 108.800 -0.002 0.000 2.459 344 G HA2 -0.180 3.780 3.960 0.000 0.000 0.213 344 G HA3 -0.180 3.780 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 0.396 45.494 45.100 -0.003 0.000 0.811 344 G HN 0.283 nan 8.290 nan 0.000 0.534 345 R N 0.508 121.006 120.500 -0.004 0.000 2.115 345 R HA 0.039 4.379 4.340 0.000 0.000 0.230 345 R C 2.355 178.650 176.300 -0.008 0.000 1.111 345 R CA 1.205 57.301 56.100 -0.006 0.000 0.976 345 R CB -0.689 29.608 30.300 -0.006 0.000 0.870 345 R HN 0.205 nan 8.270 nan 0.000 0.445 346 V N 0.561 120.471 119.914 -0.007 0.000 2.358 346 V HA -0.134 3.986 4.120 0.000 0.000 0.246 346 V C 2.319 178.408 176.094 -0.009 0.000 1.047 346 V CA 1.775 64.070 62.300 -0.008 0.000 1.035 346 V CB -0.842 30.977 31.823 -0.006 0.000 0.658 346 V HN 0.511 nan 8.190 nan 0.000 0.452 347 A N -0.722 122.093 122.820 -0.007 0.000 1.933 347 A HA -0.270 4.051 4.320 0.000 0.000 0.218 347 A C 2.186 179.765 177.584 -0.009 0.000 1.175 347 A CA 1.805 53.838 52.037 -0.007 0.000 0.628 347 A CB -0.423 18.573 19.000 -0.006 0.000 0.814 347 A HN 0.626 nan 8.150 nan 0.000 0.444 348 Q N -0.654 119.140 119.800 -0.009 0.000 2.119 348 Q HA -0.037 4.303 4.340 0.000 0.000 0.201 348 Q C 1.900 177.892 176.000 -0.013 0.000 0.972 348 Q CA 1.428 57.225 55.803 -0.011 0.000 0.847 348 Q CB -0.228 28.503 28.738 -0.011 0.000 0.903 348 Q HN 0.755 nan 8.270 nan 0.000 0.433 349 I N -0.181 120.380 120.570 -0.015 0.000 2.716 349 I HA -0.145 4.025 4.170 0.000 0.000 0.259 349 I C 2.360 178.466 176.117 -0.018 0.000 1.172 349 I CA 0.471 61.760 61.300 -0.019 0.000 1.478 349 I CB -0.092 37.896 38.000 -0.021 0.000 1.104 349 I HN 0.067 nan 8.210 nan 0.000 0.439 350 R N 0.913 121.404 120.500 -0.014 0.000 2.152 350 R HA -0.149 4.191 4.340 0.000 0.000 0.232 350 R C 2.200 178.492 176.300 -0.012 0.000 1.117 350 R CA 1.320 57.412 56.100 -0.013 0.000 0.981 350 R CB 0.022 30.316 30.300 -0.010 0.000 0.870 350 R HN 0.400 nan 8.270 nan 0.000 0.451 351 Q N -0.848 118.945 119.800 -0.012 0.000 2.250 351 Q HA -0.052 4.288 4.340 0.000 0.000 0.200 351 Q C 1.749 177.742 176.000 -0.012 0.000 0.941 351 Q CA 0.514 56.310 55.803 -0.011 0.000 0.872 351 Q CB 0.394 29.126 28.738 -0.009 0.000 0.965 351 Q HN 0.374 nan 8.270 nan 0.000 0.480 352 Q N 0.390 120.181 119.800 -0.015 0.000 2.248 352 Q HA -0.165 4.175 4.340 0.000 0.000 0.208 352 Q C 1.913 177.903 176.000 -0.018 0.000 0.984 352 Q CA 1.108 56.900 55.803 -0.018 0.000 0.875 352 Q CB -0.145 28.579 28.738 -0.023 0.000 0.910 352 Q HN 0.507 nan 8.270 nan 0.000 0.433 353 I N 0.727 121.286 120.570 -0.018 0.000 2.617 353 I HA -0.175 3.995 4.170 0.000 0.000 0.256 353 I C 1.990 178.100 176.117 -0.011 0.000 1.167 353 I CA 0.619 61.909 61.300 -0.017 0.000 1.469 353 I CB -0.186 37.803 38.000 -0.018 0.000 1.098 353 I HN 0.074 nan 8.210 nan 0.000 0.436 354 E N 1.469 121.663 120.200 -0.010 0.000 2.072 354 E HA -0.152 4.198 4.350 0.000 0.000 0.190 354 E C 1.167 177.764 176.600 -0.005 0.000 0.982 354 E CA 1.008 57.404 56.400 -0.007 0.000 0.803 354 E CB -0.289 29.407 29.700 -0.006 0.000 0.755 354 E HN 0.580 nan 8.360 nan 0.000 0.453 355 E N 1.150 121.346 120.200 -0.006 0.000 2.301 355 E HA 0.252 4.602 4.350 0.000 0.000 0.195 355 E C -0.239 176.359 176.600 -0.003 0.000 1.171 355 E CA -0.309 56.089 56.400 -0.004 0.000 1.142 355 E CB 0.227 29.924 29.700 -0.005 0.000 1.218 355 E HN 0.076 nan 8.360 nan 0.000 0.448 356 A N 1.240 124.058 122.820 -0.003 0.000 2.409 356 A HA 0.149 4.469 4.320 0.000 0.000 0.267 356 A C 1.250 178.837 177.584 0.005 0.000 1.127 356 A CA -0.199 51.838 52.037 -0.001 0.000 0.795 356 A CB 0.151 19.149 19.000 -0.003 0.000 1.061 356 A HN 0.279 nan 8.150 nan 0.000 0.502 357 T N -0.926 113.634 114.554 0.009 0.000 3.001 357 T HA 0.369 4.719 4.350 0.000 0.000 0.251 357 T C 0.635 175.347 174.700 0.021 0.000 1.040 357 T CA 0.580 62.688 62.100 0.013 0.000 0.985 357 T CB -0.057 68.818 68.868 0.012 0.000 1.011 357 T HN 0.799 nan 8.240 nan 0.000 0.509 358 S N -0.792 114.926 115.700 0.029 0.000 2.618 358 S HA 0.415 4.885 4.470 0.000 0.000 0.277 358 S C -0.415 174.216 174.600 0.053 0.000 1.138 358 S CA -0.574 57.654 58.200 0.046 0.000 0.844 358 S CB 1.689 64.928 63.200 0.066 0.000 1.127 358 S HN 0.053 nan 8.310 nan 0.000 0.474 359 D N 0.581 121.022 120.400 0.068 0.000 2.183 359 D HA -0.023 4.617 4.640 0.000 0.000 0.203 359 D C 1.210 177.568 176.300 0.096 0.000 0.969 359 D CA 1.119 55.159 54.000 0.066 0.000 0.842 359 D CB -0.128 40.711 40.800 0.066 0.000 0.957 359 D HN 0.578 nan 8.370 nan 0.000 0.484 360 Y N 2.157 122.454 120.300 -0.005 0.000 2.092 360 Y HA -0.192 4.358 4.550 0.000 0.000 0.282 360 Y C 1.682 177.574 175.900 -0.013 0.000 1.126 360 Y CA 1.749 59.845 58.100 -0.007 0.000 1.111 360 Y CB -0.474 37.982 38.460 -0.007 0.000 0.987 360 Y HN -0.164 nan 8.280 nan 0.000 0.489 361 D N -0.440 120.007 120.400 0.078 0.000 2.220 361 D HA -0.240 4.401 4.640 0.000 0.000 0.198 361 D C 2.232 178.486 176.300 -0.077 0.000 1.001 361 D CA 1.705 55.691 54.000 -0.023 0.000 0.875 361 D CB -0.200 40.615 40.800 0.027 0.000 0.921 361 D HN 0.292 nan 8.370 nan 0.000 0.454 362 R N 0.397 120.868 120.500 -0.049 0.000 2.064 362 R HA -0.120 4.220 4.340 0.000 0.000 0.228 362 R C 1.959 178.208 176.300 -0.086 0.000 1.144 362 R CA 1.098 57.168 56.100 -0.050 0.000 0.932 362 R CB 0.074 30.363 30.300 -0.020 0.000 0.833 362 R HN 0.062 nan 8.270 nan 0.000 0.429 363 E N 1.171 121.308 120.200 -0.105 0.000 2.045 363 E HA -0.250 4.100 4.350 0.000 0.000 0.212 363 E C 1.664 178.168 176.600 -0.161 0.000 1.039 363 E CA 1.408 57.734 56.400 -0.125 0.000 0.860 363 E CB -0.334 29.279 29.700 -0.145 0.000 0.776 363 E HN 0.213 nan 8.360 nan 0.000 0.467 364 K N 0.612 120.848 120.400 -0.273 0.000 2.589 364 K HA -0.066 4.254 4.320 0.000 0.000 0.195 364 K C 2.035 178.545 176.600 -0.149 0.000 1.042 364 K CA 0.491 56.632 56.287 -0.244 0.000 0.940 364 K CB -0.263 32.018 32.500 -0.365 0.000 0.776 364 K HN 0.269 nan 8.250 nan 0.000 0.487 365 L N -0.658 120.495 121.223 -0.117 0.000 2.500 365 L HA 0.024 4.364 4.340 0.000 0.000 0.219 365 L C 2.049 178.885 176.870 -0.057 0.000 1.057 365 L CA 0.247 55.041 54.840 -0.078 0.000 0.854 365 L CB -0.073 41.947 42.059 -0.065 0.000 1.078 365 L HN 0.096 nan 8.230 nan 0.000 0.480 366 Q N 0.103 119.869 119.800 -0.056 0.000 2.297 366 Q HA -0.142 4.198 4.340 0.000 0.000 0.204 366 Q C 1.674 177.653 176.000 -0.036 0.000 0.962 366 Q CA 0.972 56.751 55.803 -0.039 0.000 0.879 366 Q CB 0.219 28.936 28.738 -0.035 0.000 0.947 366 Q HN 0.500 nan 8.270 nan 0.000 0.462 367 E N 0.526 120.698 120.200 -0.047 0.000 2.051 367 E HA -0.073 4.277 4.350 0.000 0.000 0.189 367 E C 2.014 178.598 176.600 -0.027 0.000 0.979 367 E CA 0.288 56.667 56.400 -0.035 0.000 0.803 367 E CB 0.109 29.781 29.700 -0.045 0.000 0.761 367 E HN 0.177 nan 8.360 nan 0.000 0.451 368 R N 0.717 121.195 120.500 -0.038 0.000 2.105 368 R HA -0.149 4.191 4.340 0.000 0.000 0.239 368 R C 2.558 178.847 176.300 -0.018 0.000 1.135 368 R CA 1.622 57.705 56.100 -0.029 0.000 0.967 368 R CB -0.362 29.912 30.300 -0.043 0.000 0.861 368 R HN 0.206 nan 8.270 nan 0.000 0.442 369 V N -2.512 117.389 119.914 -0.021 0.000 2.302 369 V HA -0.017 4.103 4.120 0.000 0.000 0.243 369 V C 2.352 178.441 176.094 -0.009 0.000 1.036 369 V CA 1.430 63.721 62.300 -0.014 0.000 1.020 369 V CB -1.233 30.580 31.823 -0.017 0.000 0.657 369 V HN 0.207 nan 8.190 nan 0.000 0.453 370 A N 1.069 123.884 122.820 -0.010 0.000 1.869 370 A HA -0.322 3.998 4.320 0.000 0.000 0.218 370 A C 2.319 179.903 177.584 -0.000 0.000 1.203 370 A CA 2.927 54.961 52.037 -0.006 0.000 0.638 370 A CB -0.927 18.068 19.000 -0.007 0.000 0.831 370 A HN 0.625 nan 8.150 nan 0.000 0.450 371 K N -1.369 119.034 120.400 0.005 0.000 2.218 371 K HA -0.123 4.197 4.320 0.000 0.000 0.205 371 K C 1.719 178.329 176.600 0.017 0.000 1.046 371 K CA 1.420 57.717 56.287 0.016 0.000 0.933 371 K CB -0.243 32.277 32.500 0.034 0.000 0.728 371 K HN 0.405 nan 8.250 nan 0.000 0.454 372 L N -0.764 120.465 121.223 0.011 0.000 2.477 372 L HA 0.117 4.457 4.340 0.000 0.000 0.220 372 L C 1.702 178.575 176.870 0.005 0.000 1.106 372 L CA 0.771 55.617 54.840 0.010 0.000 0.851 372 L CB 0.252 42.315 42.059 0.006 0.000 0.994 372 L HN 0.028 nan 8.230 nan 0.000 0.462 373 A N -1.314 121.507 122.820 0.001 0.000 1.963 373 A HA 0.345 4.665 4.320 0.000 0.000 0.207 373 A C 1.822 179.405 177.584 -0.002 0.000 1.243 373 A CA 0.516 52.552 52.037 -0.001 0.000 0.728 373 A CB -0.678 18.320 19.000 -0.004 0.000 0.895 373 A HN 0.319 nan 8.150 nan 0.000 0.467 374 G N 0.247 109.046 108.800 -0.003 0.000 3.474 374 G HA2 0.418 4.378 3.960 0.000 0.000 0.269 374 G HA3 0.418 4.378 3.960 0.000 0.000 0.269 374 G C 1.048 175.945 174.900 -0.005 0.000 1.339 374 G CA 0.622 45.719 45.100 -0.004 0.000 1.258 374 G HN 0.794 nan 8.290 nan 0.000 0.560 375 G N 0.186 108.984 108.800 -0.002 0.000 2.998 375 G HA2 -0.227 3.733 3.960 0.000 0.000 0.855 375 G HA3 -0.227 3.733 3.960 0.000 0.000 0.855 375 G C 0.139 175.034 174.900 -0.008 0.000 1.032 375 G CA 1.073 46.172 45.100 -0.003 0.000 0.804 375 G HN 0.953 nan 8.290 nan 0.000 0.970 376 V N -0.584 119.323 119.914 -0.011 0.000 2.971 376 V HA 0.709 4.829 4.120 0.000 0.000 0.309 376 V C 0.414 176.497 176.094 -0.018 0.000 1.130 376 V CA -0.382 61.908 62.300 -0.017 0.000 0.964 376 V CB 1.655 33.465 31.823 -0.022 0.000 1.029 376 V HN 1.421 nan 8.190 nan 0.000 0.427 377 A N 2.616 125.424 122.820 -0.021 0.000 2.310 377 A HA 0.827 5.147 4.320 0.000 0.000 0.299 377 A C -0.725 176.847 177.584 -0.021 0.000 1.147 377 A CA -0.463 51.562 52.037 -0.020 0.000 0.818 377 A CB 1.175 20.162 19.000 -0.021 0.000 1.096 377 A HN 0.819 nan 8.150 nan 0.000 0.495 378 V N 4.148 124.052 119.914 -0.017 0.000 2.482 378 V HA 0.313 4.433 4.120 0.000 0.000 0.295 378 V C -0.656 175.430 176.094 -0.012 0.000 1.026 378 V CA -0.095 62.196 62.300 -0.015 0.000 0.856 378 V CB 1.362 33.177 31.823 -0.014 0.000 1.001 378 V HN 0.751 nan 8.190 nan 0.000 0.424 379 I N 5.404 125.967 120.570 -0.012 0.000 2.328 379 I HA 0.414 4.584 4.170 0.000 0.000 0.287 379 I C 0.113 176.226 176.117 -0.006 0.000 1.012 379 I CA -0.544 60.751 61.300 -0.009 0.000 1.195 379 I CB 1.232 39.227 38.000 -0.008 0.000 1.350 379 I HN 0.443 nan 8.210 nan 0.000 0.464 380 K N 6.181 126.578 120.400 -0.005 0.000 2.266 380 K HA 0.364 4.684 4.320 0.000 0.000 0.274 380 K C -0.286 176.313 176.600 -0.002 0.000 1.090 380 K CA -0.567 55.718 56.287 -0.004 0.000 0.925 380 K CB 1.201 33.699 32.500 -0.004 0.000 1.225 380 K HN 0.345 nan 8.250 nan 0.000 0.458 381 V N 2.435 122.349 119.914 -0.000 0.000 3.083 381 V HA -0.137 3.983 4.120 0.000 0.000 0.303 381 V C 1.667 177.761 176.094 0.001 0.000 1.151 381 V CA 0.515 62.816 62.300 0.001 0.000 1.275 381 V CB 0.111 31.936 31.823 0.003 0.000 0.950 381 V HN 0.951 nan 8.190 nan 0.000 0.506 382 G N 1.300 110.101 108.800 0.001 0.000 2.393 382 G HA2 0.513 4.473 3.960 0.000 0.000 0.268 382 G HA3 0.513 4.473 3.960 0.000 0.000 0.268 382 G C 0.119 175.020 174.900 0.001 0.000 1.472 382 G CA 0.471 45.571 45.100 0.001 0.000 1.059 382 G HN 1.382 nan 8.290 nan 0.000 0.555 383 A N -3.559 119.262 122.820 0.001 0.000 5.519 383 A HA 0.840 5.160 4.320 0.000 0.000 0.158 383 A C 0.047 177.632 177.584 0.002 0.000 0.860 383 A CA 0.744 52.782 52.037 0.001 0.000 1.134 383 A CB -0.290 18.711 19.000 0.001 0.000 2.248 383 A HN 2.572 nan 8.150 nan 0.000 1.056 384 A N -0.612 122.209 122.820 0.001 0.000 3.033 384 A HA 0.577 4.897 4.320 0.000 0.000 0.262 384 A C 1.011 178.596 177.584 0.002 0.000 1.301 384 A CA 1.156 53.194 52.037 0.001 0.000 0.727 384 A CB -2.606 16.395 19.000 0.001 0.000 1.094 384 A HN 3.571 nan 8.150 nan 0.000 0.374 385 T N -2.164 112.391 114.554 0.002 0.000 0.542 385 T HA -0.086 4.264 4.350 0.000 0.000 0.774 385 T C 0.382 175.083 174.700 0.002 0.000 0.992 385 T CA 1.503 63.604 62.100 0.002 0.000 4.076 385 T CB -1.050 67.819 68.868 0.002 0.000 2.302 385 T HN 1.901 nan 8.240 nan 0.000 0.398 386 E N 1.010 121.212 120.200 0.003 0.000 2.085 386 E HA -0.129 4.221 4.350 0.000 0.000 0.194 386 E C 2.180 178.782 176.600 0.004 0.000 0.994 386 E CA 2.084 58.486 56.400 0.003 0.000 0.801 386 E CB -0.180 29.522 29.700 0.003 0.000 0.743 386 E HN 0.649 nan 8.360 nan 0.000 0.453 387 V N 1.356 121.272 119.914 0.004 0.000 2.332 387 V HA -0.272 3.848 4.120 0.000 0.000 0.248 387 V C 2.072 178.168 176.094 0.004 0.000 1.055 387 V CA 2.256 64.559 62.300 0.004 0.000 1.038 387 V CB -0.529 31.296 31.823 0.004 0.000 0.651 387 V HN 0.309 nan 8.190 nan 0.000 0.450 388 E N -0.788 119.414 120.200 0.004 0.000 2.158 388 E HA -0.140 4.210 4.350 0.000 0.000 0.191 388 E C 2.194 178.796 176.600 0.004 0.000 0.982 388 E CA 0.880 57.282 56.400 0.004 0.000 0.823 388 E CB -0.197 29.504 29.700 0.003 0.000 0.766 388 E HN 0.420 nan 8.360 nan 0.000 0.468 389 M N 1.253 120.855 119.600 0.004 0.000 2.086 389 M HA -0.145 4.335 4.480 0.000 0.000 0.261 389 M C 1.562 177.866 176.300 0.005 0.000 1.067 389 M CA 1.516 56.819 55.300 0.004 0.000 1.116 389 M CB -0.141 32.462 32.600 0.004 0.000 1.348 389 M HN -0.147 nan 8.290 nan 0.000 0.407 390 K N 0.122 120.525 120.400 0.006 0.000 2.439 390 K HA -0.107 4.213 4.320 0.000 0.000 0.197 390 K C 1.732 178.336 176.600 0.008 0.000 1.041 390 K CA 0.747 57.038 56.287 0.007 0.000 0.970 390 K CB -0.193 32.311 32.500 0.007 0.000 0.773 390 K HN 0.595 nan 8.250 nan 0.000 0.479 391 E N 0.958 121.162 120.200 0.007 0.000 2.166 391 E HA -0.073 4.277 4.350 0.000 0.000 0.192 391 E C 1.871 178.476 176.600 0.008 0.000 0.967 391 E CA 0.456 56.860 56.400 0.007 0.000 0.840 391 E CB 0.290 29.994 29.700 0.005 0.000 0.795 391 E HN 0.080 nan 8.360 nan 0.000 0.470 392 K N 1.165 121.569 120.400 0.007 0.000 2.062 392 K HA -0.150 4.170 4.320 0.000 0.000 0.205 392 K C 2.245 178.851 176.600 0.010 0.000 1.051 392 K CA 1.175 57.467 56.287 0.008 0.000 0.941 392 K CB 0.010 32.514 32.500 0.006 0.000 0.719 392 K HN -0.091 nan 8.250 nan 0.000 0.440 393 K N 0.348 120.754 120.400 0.010 0.000 2.059 393 K HA -0.229 4.091 4.320 0.000 0.000 0.212 393 K C 1.889 178.499 176.600 0.017 0.000 1.050 393 K CA 1.615 57.910 56.287 0.012 0.000 0.927 393 K CB -0.211 32.296 32.500 0.011 0.000 0.714 393 K HN 0.218 nan 8.250 nan 0.000 0.447 394 A N 1.425 124.255 122.820 0.016 0.000 1.845 394 A HA -0.153 4.167 4.320 0.000 0.000 0.215 394 A C 2.049 179.646 177.584 0.022 0.000 1.195 394 A CA 1.612 53.661 52.037 0.019 0.000 0.616 394 A CB -0.580 18.427 19.000 0.013 0.000 0.832 394 A HN 0.375 nan 8.150 nan 0.000 0.443 395 R N -0.606 119.904 120.500 0.017 0.000 2.211 395 R HA -0.109 4.231 4.340 0.000 0.000 0.240 395 R C 1.906 178.220 176.300 0.023 0.000 1.144 395 R CA 1.302 57.412 56.100 0.017 0.000 0.992 395 R CB -0.580 29.727 30.300 0.012 0.000 0.869 395 R HN 0.424 nan 8.270 nan 0.000 0.462 396 V N 0.972 120.900 119.914 0.023 0.000 2.283 396 V HA -0.199 3.921 4.120 0.000 0.000 0.243 396 V C 1.982 178.099 176.094 0.039 0.000 1.039 396 V CA 1.703 64.018 62.300 0.024 0.000 1.016 396 V CB -0.338 31.495 31.823 0.016 0.000 0.650 396 V HN 0.312 nan 8.190 nan 0.000 0.449 397 E N 0.467 120.698 120.200 0.051 0.000 2.070 397 E HA -0.266 4.084 4.350 0.000 0.000 0.197 397 E C 2.297 178.985 176.600 0.148 0.000 1.004 397 E CA 1.565 58.022 56.400 0.096 0.000 0.805 397 E CB -0.419 29.340 29.700 0.099 0.000 0.744 397 E HN 0.585 nan 8.360 nan 0.000 0.451 398 A N 1.381 124.256 122.820 0.092 0.000 1.908 398 A HA -0.179 4.141 4.320 0.000 0.000 0.218 398 A C 2.361 180.000 177.584 0.092 0.000 1.181 398 A CA 1.942 54.024 52.037 0.074 0.000 0.627 398 A CB -0.774 18.243 19.000 0.027 0.000 0.818 398 A HN 0.314 nan 8.150 nan 0.000 0.445 399 A N -0.256 122.602 122.820 0.064 0.000 1.832 399 A HA 0.008 4.328 4.320 0.000 0.000 0.214 399 A C 2.130 179.748 177.584 0.056 0.000 1.200 399 A CA 1.754 53.821 52.037 0.050 0.000 0.610 399 A CB -0.941 18.077 19.000 0.030 0.000 0.842 399 A HN 0.963 nan 8.150 nan 0.000 0.444 400 L N -0.289 120.959 121.223 0.042 0.000 2.010 400 L HA -0.296 4.044 4.340 0.000 0.000 0.219 400 L C 2.264 179.139 176.870 0.009 0.000 1.077 400 L CA 2.832 57.676 54.840 0.008 0.000 0.773 400 L CB -1.229 40.818 42.059 -0.020 0.000 0.892 400 L HN 0.576 nan 8.230 nan 0.000 0.436 401 H N -0.125 118.945 119.070 -0.000 0.000 2.355 401 H HA -0.210 4.346 4.556 0.000 0.000 0.293 401 H C 2.083 177.413 175.328 0.003 0.000 1.060 401 H CA 2.270 58.318 56.048 0.001 0.000 1.167 401 H CB -0.658 29.105 29.762 0.002 0.000 1.376 401 H HN 0.532 nan 8.280 nan 0.000 0.549 402 A N 0.016 122.940 122.820 0.174 0.000 1.997 402 A HA -0.229 4.091 4.320 0.000 0.000 0.221 402 A C 2.684 180.302 177.584 0.057 0.000 1.172 402 A CA 2.379 54.471 52.037 0.093 0.000 0.645 402 A CB -1.035 18.002 19.000 0.062 0.000 0.813 402 A HN 0.530 nan 8.150 nan 0.000 0.454 403 T N -0.902 113.678 114.554 0.044 0.000 2.643 403 T HA -0.145 4.205 4.350 0.000 0.000 0.264 403 T C 2.169 176.877 174.700 0.013 0.000 1.045 403 T CA 1.334 63.447 62.100 0.021 0.000 1.155 403 T CB -0.270 68.604 68.868 0.011 0.000 0.863 403 T HN 0.364 nan 8.240 nan 0.000 0.420 404 R N 1.274 121.774 120.500 0.000 0.000 2.134 404 R HA -0.106 4.234 4.340 0.000 0.000 0.248 404 R C 2.413 178.718 176.300 0.007 0.000 1.143 404 R CA 1.951 58.044 56.100 -0.012 0.000 0.957 404 R CB -1.205 29.068 30.300 -0.045 0.000 0.867 404 R HN 0.452 nan 8.270 nan 0.000 0.441 405 A N -0.489 122.348 122.820 0.027 0.000 2.216 405 A HA 0.071 4.391 4.320 0.000 0.000 0.214 405 A C 2.070 179.669 177.584 0.024 0.000 1.160 405 A CA 1.489 53.546 52.037 0.033 0.000 0.725 405 A CB -0.250 18.783 19.000 0.055 0.000 0.784 405 A HN 0.423 nan 8.150 nan 0.000 0.472 406 A N -0.886 121.946 122.820 0.019 0.000 1.924 406 A HA 0.221 4.541 4.320 0.000 0.000 0.211 406 A C 2.027 179.617 177.584 0.010 0.000 1.198 406 A CA 1.020 53.066 52.037 0.015 0.000 0.657 406 A CB -0.603 18.406 19.000 0.015 0.000 0.852 406 A HN 0.283 nan 8.150 nan 0.000 0.454 407 V N 0.694 120.612 119.914 0.007 0.000 2.324 407 V HA -0.324 3.796 4.120 0.000 0.000 0.250 407 V C 2.401 178.497 176.094 0.004 0.000 1.060 407 V CA 2.505 64.807 62.300 0.004 0.000 1.042 407 V CB -0.877 30.946 31.823 -0.001 0.000 0.650 407 V HN 0.618 nan 8.190 nan 0.000 0.450 408 E N -0.085 120.118 120.200 0.005 0.000 2.006 408 E HA -0.161 4.189 4.350 0.000 0.000 0.192 408 E C 1.498 178.101 176.600 0.005 0.000 0.993 408 E CA 1.374 57.777 56.400 0.005 0.000 0.808 408 E CB -0.034 29.670 29.700 0.007 0.000 0.764 408 E HN 0.659 nan 8.360 nan 0.000 0.449 409 E N -0.256 119.948 120.200 0.007 0.000 2.685 409 E HA 0.257 4.607 4.350 0.000 0.000 0.208 409 E C 0.064 176.668 176.600 0.006 0.000 0.996 409 E CA -0.015 56.388 56.400 0.005 0.000 1.054 409 E CB 1.260 30.962 29.700 0.002 0.000 1.075 409 E HN 0.317 nan 8.360 nan 0.000 0.460 410 G N 0.999 109.804 108.800 0.008 0.000 2.645 410 G HA2 -0.241 3.719 3.960 0.000 0.000 0.239 410 G HA3 -0.241 3.719 3.960 0.000 0.000 0.239 410 G C -0.256 174.651 174.900 0.011 0.000 1.331 410 G CA -0.332 44.773 45.100 0.009 0.000 0.890 410 G HN 0.642 nan 8.290 nan 0.000 0.572 411 V N -3.103 116.819 119.914 0.012 0.000 3.147 411 V HA 0.976 5.096 4.120 0.000 0.000 0.306 411 V C -0.143 175.961 176.094 0.015 0.000 1.209 411 V CA 0.387 62.696 62.300 0.014 0.000 1.023 411 V CB 1.478 33.310 31.823 0.015 0.000 1.059 411 V HN 2.639 nan 8.190 nan 0.000 0.435 412 V N 2.080 122.003 119.914 0.017 0.000 3.178 412 V HA 0.900 5.020 4.120 0.000 0.000 0.302 412 V C 0.468 176.575 176.094 0.021 0.000 1.262 412 V CA -0.257 62.054 62.300 0.019 0.000 1.030 412 V CB 1.857 33.691 31.823 0.017 0.000 1.074 412 V HN 2.679 nan 8.190 nan 0.000 0.438 413 A N 3.573 126.409 122.820 0.026 0.000 2.500 413 A HA 0.410 4.730 4.320 0.000 0.000 0.281 413 A C 1.054 178.652 177.584 0.025 0.000 1.092 413 A CA 1.099 53.154 52.037 0.029 0.000 0.909 413 A CB -1.335 17.688 19.000 0.039 0.000 0.958 413 A HN 2.092 nan 8.150 nan 0.000 0.535 414 G N 1.427 110.240 108.800 0.021 0.000 2.468 414 G HA2 0.517 4.477 3.960 0.000 0.000 0.264 414 G HA3 0.517 4.477 3.960 0.000 0.000 0.264 414 G C 1.244 176.155 174.900 0.019 0.000 1.460 414 G CA -0.066 45.045 45.100 0.018 0.000 1.060 414 G HN 2.219 nan 8.290 nan 0.000 0.543 415 G N -2.214 106.596 108.800 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 1.504 176.415 174.900 0.018 0.000 1.036 415 G CA 1.158 46.270 45.100 0.020 0.000 0.824 415 G HN 2.481 nan 8.290 nan 0.000 0.504 416 G N -2.789 106.018 108.800 0.012 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 1.945 176.850 174.900 0.009 0.000 0.998 416 G CA 1.858 46.962 45.100 0.006 0.000 0.621 416 G HN 2.051 nan 8.290 nan 0.000 0.524 417 V N -0.886 119.038 119.914 0.017 0.000 2.270 417 V HA 0.276 4.396 4.120 0.000 0.000 0.245 417 V C 3.106 179.215 176.094 0.024 0.000 1.043 417 V CA 2.324 64.638 62.300 0.023 0.000 1.014 417 V CB -1.776 30.065 31.823 0.030 0.000 0.645 417 V HN 1.715 nan 8.190 nan 0.000 0.447 418 A N 1.610 124.444 122.820 0.024 0.000 1.899 418 A HA -0.304 4.016 4.320 0.000 0.000 0.230 418 A C 2.278 179.874 177.584 0.019 0.000 1.593 418 A CA 3.228 55.278 52.037 0.022 0.000 0.728 418 A CB -1.160 17.851 19.000 0.017 0.000 0.848 418 A HN 0.625 nan 8.150 nan 0.000 0.490 419 L N -0.936 120.296 121.223 0.014 0.000 1.994 419 L HA -0.178 4.162 4.340 0.000 0.000 0.208 419 L C 2.628 179.506 176.870 0.013 0.000 1.071 419 L CA 1.722 56.568 54.840 0.011 0.000 0.745 419 L CB -0.804 41.260 42.059 0.008 0.000 0.892 419 L HN 0.454 nan 8.230 nan 0.000 0.431 420 I N -0.339 120.239 120.570 0.014 0.000 2.315 420 I HA -0.303 3.867 4.170 0.000 0.000 0.251 420 I C 2.815 178.946 176.117 0.024 0.000 1.125 420 I CA 0.931 62.240 61.300 0.016 0.000 1.392 420 I CB -0.451 37.558 38.000 0.015 0.000 1.065 420 I HN 0.285 nan 8.210 nan 0.000 0.424 421 R N 1.501 122.018 120.500 0.029 0.000 2.082 421 R HA -0.110 4.230 4.340 0.000 0.000 0.228 421 R C 2.198 178.514 176.300 0.026 0.000 1.140 421 R CA 1.860 57.981 56.100 0.036 0.000 0.920 421 R CB -1.122 29.202 30.300 0.041 0.000 0.828 421 R HN 0.094 nan 8.270 nan 0.000 0.430 422 V N 1.290 121.216 119.914 0.021 0.000 2.218 422 V HA -0.349 3.771 4.120 0.000 0.000 0.251 422 V C 2.276 178.378 176.094 0.013 0.000 1.057 422 V CA 2.620 64.929 62.300 0.015 0.000 1.022 422 V CB -1.262 30.568 31.823 0.011 0.000 0.645 422 V HN 0.627 nan 8.190 nan 0.000 0.451 423 A N 0.223 123.050 122.820 0.012 0.000 2.245 423 A HA -0.189 4.131 4.320 0.000 0.000 0.217 423 A C 2.322 179.913 177.584 0.011 0.000 1.171 423 A CA 2.083 54.126 52.037 0.010 0.000 0.688 423 A CB -0.621 18.384 19.000 0.008 0.000 0.781 423 A HN 0.803 nan 8.150 nan 0.000 0.479 424 S N -1.112 114.597 115.700 0.016 0.000 2.486 424 S HA 0.060 4.530 4.470 0.000 0.000 0.220 424 S C 1.658 176.267 174.600 0.015 0.000 1.011 424 S CA 0.681 58.891 58.200 0.017 0.000 0.921 424 S CB -0.001 63.214 63.200 0.025 0.000 0.785 424 S HN 0.619 nan 8.310 nan 0.000 0.517 425 K N 1.417 121.825 120.400 0.014 0.000 2.044 425 K HA 0.274 4.594 4.320 0.000 0.000 0.204 425 K C 1.280 177.885 176.600 0.008 0.000 1.045 425 K CA 0.742 57.036 56.287 0.011 0.000 0.951 425 K CB -0.438 32.069 32.500 0.011 0.000 0.738 425 K HN 0.297 nan 8.250 nan 0.000 0.443 426 L N 1.763 122.990 121.223 0.007 0.000 2.955 426 L HA -0.056 4.284 4.340 0.000 0.000 0.260 426 L C 1.776 178.648 176.870 0.004 0.000 1.146 426 L CA -0.300 54.543 54.840 0.005 0.000 0.905 426 L CB -0.768 41.293 42.059 0.004 0.000 1.136 426 L HN 0.206 nan 8.230 nan 0.000 0.438 427 A N -0.583 122.240 122.820 0.005 0.000 2.172 427 A HA -0.153 4.167 4.320 0.000 0.000 0.216 427 A C 1.782 179.368 177.584 0.003 0.000 1.154 427 A CA 1.284 53.323 52.037 0.005 0.000 0.701 427 A CB -0.163 18.840 19.000 0.005 0.000 0.789 427 A HN 0.404 nan 8.150 nan 0.000 0.465 428 D N -1.232 119.169 120.400 0.003 0.000 2.389 428 D HA 0.103 4.743 4.640 0.000 0.000 0.206 428 D C 0.363 176.664 176.300 0.001 0.000 1.055 428 D CA -0.240 53.761 54.000 0.002 0.000 0.856 428 D CB 0.022 40.824 40.800 0.002 0.000 0.957 428 D HN 0.349 nan 8.370 nan 0.000 0.509 429 L N 2.247 123.471 121.223 0.002 0.000 2.559 429 L HA -0.005 4.335 4.340 0.000 0.000 0.282 429 L C 0.211 177.082 176.870 0.001 0.000 1.232 429 L CA 0.778 55.618 54.840 0.001 0.000 0.885 429 L CB 0.074 42.134 42.059 0.001 0.000 1.131 429 L HN -0.151 nan 8.230 nan 0.000 0.498 430 R N 3.053 123.553 120.500 0.000 0.000 2.831 430 R HA 0.735 5.075 4.340 0.000 0.000 0.266 430 R C -0.273 176.027 176.300 -0.000 0.000 1.051 430 R CA -0.347 55.753 56.100 -0.000 0.000 0.943 430 R CB 1.410 31.710 30.300 -0.000 0.000 1.228 430 R HN 0.796 nan 8.270 nan 0.000 0.467 431 G N -0.409 108.391 108.800 -0.001 0.000 3.257 431 G HA2 0.231 4.191 3.960 0.000 0.000 0.205 431 G HA3 0.231 4.191 3.960 0.000 0.000 0.205 431 G C -0.018 174.882 174.900 -0.001 0.000 1.234 431 G CA -0.203 44.897 45.100 -0.001 0.000 0.918 431 G HN 0.405 nan 8.290 nan 0.000 0.602 432 Q N -0.382 119.417 119.800 -0.001 0.000 2.250 432 Q HA 0.113 4.453 4.340 0.000 0.000 0.200 432 Q C -0.093 175.906 176.000 -0.002 0.000 0.941 432 Q CA 0.698 56.501 55.803 -0.002 0.000 0.872 432 Q CB 0.139 28.876 28.738 -0.002 0.000 0.965 432 Q HN 0.583 nan 8.270 nan 0.000 0.480 433 N N -1.486 117.214 118.700 -0.002 0.000 2.321 433 N HA 0.405 5.145 4.740 0.000 0.000 0.290 433 N C -0.046 175.463 175.510 -0.001 0.000 1.212 433 N CA -0.030 53.019 53.050 -0.002 0.000 0.767 433 N CB 0.754 39.240 38.487 -0.002 0.000 1.494 433 N HN -0.073 nan 8.380 nan 0.000 0.479 434 A N 0.507 123.326 122.820 -0.001 0.000 1.915 434 A HA -0.259 4.061 4.320 0.000 0.000 0.220 434 A C 1.021 178.604 177.584 -0.001 0.000 1.198 434 A CA 2.080 54.116 52.037 -0.001 0.000 0.647 434 A CB -1.008 17.991 19.000 -0.001 0.000 0.825 434 A HN 0.760 nan 8.150 nan 0.000 0.456 435 D N -1.171 119.228 120.400 -0.001 0.000 2.411 435 D HA -0.063 4.577 4.640 0.000 0.000 0.226 435 D C 1.639 177.938 176.300 -0.001 0.000 0.988 435 D CA 1.011 55.011 54.000 -0.002 0.000 0.938 435 D CB -0.040 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 -1.044 118.755 119.800 -0.001 0.000 2.342 436 Q HA 0.097 4.437 4.340 0.000 0.000 0.261 436 Q C 1.400 177.400 176.000 -0.001 0.000 0.841 436 Q CA -0.236 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 0.022 nan 8.270 nan 0.000 0.528 437 N N 0.167 118.867 118.700 -0.000 0.000 2.166 437 N HA -0.120 4.620 4.740 0.000 0.000 0.186 437 N C 1.671 177.181 175.510 0.000 0.000 1.019 437 N CA 1.075 54.125 53.050 -0.000 0.000 0.856 437 N CB 0.045 38.532 38.487 -0.000 0.000 0.993 437 N HN 0.045 nan 8.380 nan 0.000 0.426 438 V N 0.698 120.612 119.914 0.000 0.000 2.453 438 V HA -0.070 4.050 4.120 0.000 0.000 0.247 438 V C 2.314 178.409 176.094 0.001 0.000 1.048 438 V CA 1.725 64.026 62.300 0.000 0.000 1.049 438 V CB -1.010 30.813 31.823 0.000 0.000 0.672 438 V HN 0.316 nan 8.190 nan 0.000 0.457 439 G N -0.447 108.353 108.800 0.000 0.000 2.535 439 G HA2 -0.158 3.802 3.960 0.000 0.000 0.218 439 G HA3 -0.158 3.802 3.960 0.000 0.000 0.218 439 G C 1.402 176.302 174.900 0.001 0.000 1.122 439 G CA 0.802 45.903 45.100 0.001 0.000 0.769 439 G HN 0.512 nan 8.290 nan 0.000 0.549 440 I N -0.469 120.101 120.570 0.001 0.000 2.594 440 I HA 0.042 4.212 4.170 0.000 0.000 0.237 440 I C 2.409 178.527 176.117 0.001 0.000 1.071 440 I CA 0.223 61.524 61.300 0.001 0.000 1.427 440 I CB -0.135 37.865 38.000 0.001 0.000 1.218 440 I HN -0.157 nan 8.210 nan 0.000 0.444 441 K N 1.009 121.410 120.400 0.001 0.000 2.163 441 K HA -0.194 4.126 4.320 0.000 0.000 0.210 441 K C 2.070 178.671 176.600 0.002 0.000 1.048 441 K CA 1.212 57.500 56.287 0.002 0.000 0.928 441 K CB -0.998 31.503 32.500 0.001 0.000 0.716 441 K HN 0.200 nan 8.250 nan 0.000 0.459 442 V N 1.209 121.124 119.914 0.002 0.000 2.261 442 V HA -0.242 3.878 4.120 0.000 0.000 0.246 442 V C 2.400 178.495 176.094 0.002 0.000 1.047 442 V CA 2.040 64.341 62.300 0.002 0.000 1.015 442 V CB -0.706 31.118 31.823 0.002 0.000 0.642 442 V HN 0.370 nan 8.190 nan 0.000 0.446 443 A N -0.892 121.930 122.820 0.003 0.000 2.070 443 A HA -0.086 4.234 4.320 0.000 0.000 0.220 443 A C 2.125 179.711 177.584 0.003 0.000 1.159 443 A CA 1.487 53.526 52.037 0.003 0.000 0.656 443 A CB -0.357 18.645 19.000 0.003 0.000 0.800 443 A HN 0.543 nan 8.150 nan 0.000 0.453 444 L N -1.621 119.604 121.223 0.003 0.000 2.071 444 L HA -0.000 4.340 4.340 0.000 0.000 0.201 444 L C 2.619 179.490 176.870 0.003 0.000 1.076 444 L CA 1.187 56.029 54.840 0.003 0.000 0.755 444 L CB -0.572 41.489 42.059 0.003 0.000 0.915 444 L HN 0.365 nan 8.230 nan 0.000 0.445 445 R N 0.932 121.433 120.500 0.002 0.000 2.211 445 R HA -0.177 4.163 4.340 0.000 0.000 0.240 445 R C 1.702 178.002 176.300 0.000 0.000 1.144 445 R CA 1.317 57.417 56.100 0.001 0.000 0.992 445 R CB -0.098 30.203 30.300 0.001 0.000 0.869 445 R HN 0.380 nan 8.270 nan 0.000 0.462 446 A N -0.414 122.407 122.820 0.001 0.000 2.307 446 A HA 0.122 4.442 4.320 0.000 0.000 0.218 446 A C 1.463 179.049 177.584 0.002 0.000 1.228 446 A CA 0.012 52.050 52.037 0.002 0.000 0.857 446 A CB 0.070 19.073 19.000 0.003 0.000 0.897 446 A HN 0.320 nan 8.150 nan 0.000 0.495 447 M N -1.453 118.148 119.600 0.002 0.000 2.414 447 M HA 0.126 4.606 4.480 0.000 0.000 0.251 447 M C 1.037 177.337 176.300 0.000 0.000 1.116 447 M CA 0.387 55.689 55.300 0.003 0.000 1.056 447 M CB 0.210 32.812 32.600 0.004 0.000 1.388 447 M HN 0.327 nan 8.290 nan 0.000 0.487 448 E N 1.102 121.301 120.200 -0.002 0.000 2.511 448 E HA 0.046 4.396 4.350 0.000 0.000 0.196 448 E C 1.746 178.339 176.600 -0.012 0.000 1.066 448 E CA 0.195 56.591 56.400 -0.006 0.000 0.871 448 E CB 0.157 29.853 29.700 -0.006 0.000 0.863 448 E HN 0.459 nan 8.360 nan 0.000 0.520 449 A N 2.152 124.967 122.820 -0.009 0.000 1.825 449 A HA -0.062 4.258 4.320 0.000 0.000 0.214 449 A C -0.384 177.191 177.584 -0.015 0.000 1.206 449 A CA 0.751 52.781 52.037 -0.011 0.000 0.609 449 A CB -1.511 17.486 19.000 -0.005 0.000 0.851 449 A HN 0.076 nan 8.150 nan 0.000 0.445 450 P HA -0.218 nan 4.420 nan 0.000 0.219 450 P C 1.662 178.950 177.300 -0.020 0.000 1.158 450 P CA 1.504 64.599 63.100 -0.010 0.000 0.895 450 P CB -0.073 31.625 31.700 -0.003 0.000 0.792 451 L N -0.767 120.442 121.223 -0.024 0.000 1.961 451 L HA -0.088 4.252 4.340 0.000 0.000 0.209 451 L C 2.415 179.245 176.870 -0.067 0.000 1.075 451 L CA 1.746 56.560 54.840 -0.044 0.000 0.749 451 L CB -0.886 41.147 42.059 -0.044 0.000 0.890 451 L HN -0.291 nan 8.230 nan 0.000 0.433 452 R N -0.973 119.491 120.500 -0.060 0.000 2.257 452 R HA -0.307 4.033 4.340 0.000 0.000 0.265 452 R C 2.246 178.508 176.300 -0.062 0.000 1.191 452 R CA 1.904 57.965 56.100 -0.065 0.000 1.010 452 R CB -0.331 29.944 30.300 -0.042 0.000 0.883 452 R HN 0.487 nan 8.270 nan 0.000 0.473 453 Q N 0.548 120.319 119.800 -0.048 0.000 2.008 453 Q HA -0.009 4.331 4.340 0.000 0.000 0.196 453 Q C 1.877 177.850 176.000 -0.045 0.000 0.973 453 Q CA 1.439 57.219 55.803 -0.038 0.000 0.826 453 Q CB -0.045 28.678 28.738 -0.024 0.000 0.894 453 Q HN 0.348 nan 8.270 nan 0.000 0.439 454 I N -0.068 120.475 120.570 -0.044 0.000 2.335 454 I HA -0.222 3.948 4.170 0.000 0.000 0.251 454 I C 1.897 177.975 176.117 -0.066 0.000 1.129 454 I CA 0.753 62.030 61.300 -0.038 0.000 1.402 454 I CB -0.512 37.474 38.000 -0.022 0.000 1.069 454 I HN 0.015 nan 8.210 nan 0.000 0.424 455 V N 0.898 120.739 119.914 -0.123 0.000 2.913 455 V HA -0.194 3.926 4.120 0.000 0.000 0.260 455 V C 2.208 178.233 176.094 -0.114 0.000 1.098 455 V CA 1.278 63.461 62.300 -0.195 0.000 1.121 455 V CB -0.289 31.366 31.823 -0.279 0.000 0.714 455 V HN 0.365 nan 8.190 nan 0.000 0.487 456 L N 0.205 121.384 121.223 -0.074 0.000 2.249 456 L HA 0.178 4.518 4.340 0.000 0.000 0.207 456 L C 1.809 178.661 176.870 -0.031 0.000 1.090 456 L CA 1.341 56.153 54.840 -0.047 0.000 0.802 456 L CB -0.489 41.547 42.059 -0.038 0.000 0.947 456 L HN 0.264 nan 8.230 nan 0.000 0.453 457 N N -1.237 117.447 118.700 -0.027 0.000 2.567 457 N HA -0.055 4.685 4.740 0.000 0.000 0.195 457 N C 0.645 176.150 175.510 -0.008 0.000 1.242 457 N CA 0.706 53.747 53.050 -0.015 0.000 0.884 457 N CB -0.360 38.120 38.487 -0.011 0.000 1.007 457 N HN 0.381 nan 8.380 nan 0.000 0.450 458 C N -1.655 117.637 119.300 -0.012 0.000 3.525 458 C HA 0.399 4.859 4.460 0.000 0.000 0.289 458 C C 1.634 176.623 174.990 -0.001 0.000 1.496 458 C CA -0.344 58.675 59.018 0.002 0.000 1.804 458 C CB -0.407 27.345 27.740 0.019 0.000 2.708 458 C HN 0.471 nan 8.230 nan 0.000 0.642 459 G N 1.772 110.565 108.800 -0.011 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 -0.255 174.639 174.900 -0.009 0.000 0.989 459 G CA 0.546 45.641 45.100 -0.008 0.000 0.692 459 G HN 0.571 nan 8.290 nan 0.000 0.526 460 E N 0.948 121.136 120.200 -0.021 0.000 2.156 460 E HA 0.282 4.632 4.350 0.000 0.000 0.279 460 E C 0.423 176.992 176.600 -0.051 0.000 0.965 460 E CA -0.545 55.839 56.400 -0.026 0.000 0.789 460 E CB 0.779 30.463 29.700 -0.028 0.000 1.098 460 E HN 0.575 nan 8.360 nan 0.000 0.397 461 E N 4.232 124.414 120.200 -0.030 0.000 2.757 461 E HA -0.092 4.258 4.350 0.000 0.000 0.238 461 E C -1.562 175.003 176.600 -0.058 0.000 1.057 461 E CA -0.839 55.542 56.400 -0.032 0.000 0.952 461 E CB 0.225 29.919 29.700 -0.010 0.000 0.934 461 E HN 0.206 nan 8.360 nan 0.000 0.518 462 P HA -0.144 nan 4.420 nan 0.000 0.219 462 P C 1.025 178.290 177.300 -0.059 0.000 1.150 462 P CA 0.826 63.872 63.100 -0.091 0.000 0.814 462 P CB 0.306 31.961 31.700 -0.075 0.000 0.787 463 S N -0.315 115.364 115.700 -0.036 0.000 2.393 463 S HA -0.181 4.289 4.470 0.000 0.000 0.234 463 S C 1.927 176.519 174.600 -0.012 0.000 1.064 463 S CA 1.878 60.067 58.200 -0.019 0.000 1.088 463 S CB -1.610 61.584 63.200 -0.011 0.000 0.939 463 S HN -0.004 nan 8.310 nan 0.000 0.448 464 V N 1.255 121.164 119.914 -0.008 0.000 2.278 464 V HA -0.075 4.045 4.120 0.000 0.000 0.238 464 V C 2.360 178.470 176.094 0.026 0.000 1.039 464 V CA 1.221 63.531 62.300 0.017 0.000 1.017 464 V CB -1.003 30.842 31.823 0.037 0.000 0.657 464 V HN 0.361 nan 8.190 nan 0.000 0.462 465 V N 0.741 120.655 119.914 0.001 0.000 2.353 465 V HA -0.401 3.719 4.120 0.000 0.000 0.260 465 V C 2.611 178.707 176.094 0.004 0.000 1.091 465 V CA 2.506 64.795 62.300 -0.018 0.000 1.088 465 V CB -1.337 30.257 31.823 -0.382 0.000 0.672 465 V HN 0.596 nan 8.190 nan 0.000 0.455 466 A N 0.207 123.007 122.820 -0.034 0.000 1.832 466 A HA -0.239 4.081 4.320 0.000 0.000 0.214 466 A C 2.052 179.646 177.584 0.016 0.000 1.204 466 A CA 1.886 53.913 52.037 -0.015 0.000 0.606 466 A CB -0.906 18.078 19.000 -0.027 0.000 0.849 466 A HN 0.612 nan 8.150 nan 0.000 0.445 467 N N -0.530 118.179 118.700 0.014 0.000 2.096 467 N HA -0.193 4.547 4.740 0.000 0.000 0.195 467 N C 1.600 177.128 175.510 0.031 0.000 1.017 467 N CA 2.755 55.817 53.050 0.020 0.000 0.870 467 N CB -0.520 37.976 38.487 0.016 0.000 1.024 467 N HN 0.390 nan 8.380 nan 0.000 0.434 468 T N -0.824 113.753 114.554 0.038 0.000 2.812 468 T HA -0.013 4.337 4.350 0.000 0.000 0.264 468 T C 1.838 176.566 174.700 0.046 0.000 1.042 468 T CA 1.101 63.213 62.100 0.020 0.000 1.140 468 T CB -0.241 68.607 68.868 -0.033 0.000 0.870 468 T HN 0.071 nan 8.240 nan 0.000 0.445 469 V N 1.399 121.347 119.914 0.058 0.000 2.626 469 V HA -0.126 3.994 4.120 0.000 0.000 0.252 469 V C 2.386 178.539 176.094 0.097 0.000 1.067 469 V CA 1.445 63.768 62.300 0.039 0.000 1.081 469 V CB -0.441 31.402 31.823 0.034 0.000 0.686 469 V HN 0.452 nan 8.190 nan 0.000 0.468 470 K N 0.416 120.859 120.400 0.071 0.000 2.031 470 K HA -0.031 4.289 4.320 0.000 0.000 0.205 470 K C 1.987 178.631 176.600 0.073 0.000 1.049 470 K CA 1.200 57.525 56.287 0.063 0.000 0.939 470 K CB -0.553 31.969 32.500 0.038 0.000 0.717 470 K HN 0.528 nan 8.250 nan 0.000 0.438 471 G N 0.723 109.564 108.800 0.068 0.000 2.959 471 G HA2 -0.016 3.944 3.960 0.000 0.000 0.203 471 G HA3 -0.016 3.944 3.960 0.000 0.000 0.203 471 G C 0.410 175.342 174.900 0.053 0.000 1.176 471 G CA 0.613 45.743 45.100 0.050 0.000 0.860 471 G HN 0.368 nan 8.290 nan 0.000 0.507 472 G N -0.469 108.392 108.800 0.101 0.000 3.291 472 G HA2 0.621 4.581 3.960 0.000 0.000 0.173 472 G HA3 0.621 4.581 3.960 0.000 0.000 0.173 472 G C -1.344 173.596 174.900 0.067 0.000 1.099 472 G CA 0.114 45.250 45.100 0.060 0.000 0.794 472 G HN 0.393 nan 8.290 nan 0.000 0.651 473 D N -3.021 117.430 120.400 0.085 0.000 2.808 473 D HA 0.529 5.169 4.640 0.000 0.000 0.294 473 D C 0.401 176.755 176.300 0.090 0.000 1.278 473 D CA 0.667 54.710 54.000 0.073 0.000 0.756 473 D CB 0.403 41.218 40.800 0.025 0.000 1.271 473 D HN 1.960 nan 8.370 nan 0.000 0.425 474 G N 0.174 109.017 108.800 0.073 0.000 2.542 474 G HA2 -0.263 3.697 3.960 0.000 0.000 0.235 474 G HA3 -0.263 3.697 3.960 0.000 0.000 0.235 474 G C -0.206 174.756 174.900 0.103 0.000 1.286 474 G CA 0.032 45.176 45.100 0.073 0.000 0.904 474 G HN 0.784 nan 8.290 nan 0.000 0.577 475 N N 0.020 118.784 118.700 0.107 0.000 2.322 475 N HA 0.188 4.928 4.740 0.000 0.000 0.216 475 N C 0.037 175.645 175.510 0.164 0.000 1.144 475 N CA -0.172 52.943 53.050 0.107 0.000 0.830 475 N CB 0.186 38.718 38.487 0.076 0.000 1.034 475 N HN 0.484 nan 8.380 nan 0.000 0.484 476 Y N 1.459 121.788 120.300 0.048 0.000 2.537 476 Y HA 0.300 4.850 4.550 0.000 0.000 0.339 476 Y C 0.560 176.525 175.900 0.107 0.000 1.066 476 Y CA -0.258 57.883 58.100 0.068 0.000 1.357 476 Y CB 0.001 38.489 38.460 0.047 0.000 1.175 476 Y HN -0.031 nan 8.280 nan 0.000 0.525 477 G N 4.601 113.315 108.800 -0.145 0.000 3.243 477 G HA2 0.308 4.268 3.960 0.000 0.000 0.248 477 G HA3 0.308 4.268 3.960 0.000 0.000 0.248 477 G C -2.218 172.641 174.900 -0.068 0.000 1.267 477 G CA -0.891 44.130 45.100 -0.131 0.000 0.906 477 G HN 0.591 nan 8.290 nan 0.000 0.592 478 Y N 0.929 121.143 120.300 -0.143 0.000 2.338 478 Y HA 0.541 5.091 4.550 0.000 0.000 0.333 478 Y C -0.500 175.270 175.900 -0.217 0.000 0.968 478 Y CA -1.194 56.730 58.100 -0.293 0.000 1.123 478 Y CB 1.723 39.968 38.460 -0.358 0.000 1.165 478 Y HN 0.438 nan 8.280 nan 0.000 0.452 479 N N 4.546 122.956 118.700 -0.483 0.000 2.411 479 N HA 0.189 4.929 4.740 0.000 0.000 0.259 479 N C 0.563 175.871 175.510 -0.336 0.000 1.103 479 N CA 0.764 53.641 53.050 -0.289 0.000 0.954 479 N CB 1.761 40.090 38.487 -0.262 0.000 1.085 479 N HN 0.982 nan 8.380 nan 0.000 0.485 480 A N 4.629 127.459 122.820 0.017 0.000 1.865 480 A HA -0.125 4.195 4.320 0.000 0.000 0.217 480 A C 2.079 179.671 177.584 0.014 0.000 1.191 480 A CA 2.072 54.198 52.037 0.149 0.000 0.623 480 A CB -1.063 18.000 19.000 0.104 0.000 0.826 480 A HN 0.760 nan 8.150 nan 0.000 0.444 481 A N -0.496 122.302 122.820 -0.036 0.000 1.851 481 A HA -0.146 4.174 4.320 0.000 0.000 0.216 481 A C 2.481 180.014 177.584 -0.085 0.000 1.195 481 A CA 2.913 54.922 52.037 -0.046 0.000 0.622 481 A CB -1.505 17.471 19.000 -0.039 0.000 0.831 481 A HN 0.903 nan 8.150 nan 0.000 0.444 482 T N -3.477 110.994 114.554 -0.139 0.000 3.055 482 T HA 0.031 4.381 4.350 0.000 0.000 0.265 482 T C 0.540 175.107 174.700 -0.222 0.000 1.111 482 T CA 1.091 63.098 62.100 -0.155 0.000 1.118 482 T CB -0.398 68.379 68.868 -0.152 0.000 0.909 482 T HN 0.599 nan 8.240 nan 0.000 0.501 483 E N 0.522 120.506 120.200 -0.360 0.000 2.971 483 E HA -0.131 4.219 4.350 0.000 0.000 0.278 483 E C -0.775 175.475 176.600 -0.584 0.000 1.009 483 E CA 0.780 56.905 56.400 -0.459 0.000 0.862 483 E CB -1.145 28.471 29.700 -0.140 0.000 1.436 483 E HN 0.689 nan 8.360 nan 0.000 0.434 484 E N -0.472 119.337 120.200 -0.650 0.000 2.317 484 E HA 0.401 4.751 4.350 0.000 0.000 0.270 484 E C -0.228 176.063 176.600 -0.515 0.000 0.885 484 E CA -0.632 55.505 56.400 -0.439 0.000 0.760 484 E CB 0.994 30.590 29.700 -0.173 0.000 1.227 484 E HN -0.017 nan 8.360 nan 0.000 0.434 485 Y N 0.456 120.638 120.300 -0.196 0.000 2.314 485 Y HA 0.581 5.131 4.550 -0.000 0.000 0.359 485 Y C 1.503 177.388 175.900 -0.025 0.000 1.360 485 Y CA 0.766 58.777 58.100 -0.148 0.000 1.697 485 Y CB 0.529 38.936 38.460 -0.089 0.000 1.630 485 Y HN 0.724 nan 8.280 nan 0.000 0.583 486 G N -0.311 108.651 108.800 0.270 0.000 2.302 486 G HA2 -0.123 3.837 3.960 0.000 0.000 0.276 486 G HA3 -0.123 3.837 3.960 0.000 0.000 0.276 486 G C -1.626 173.420 174.900 0.243 0.000 1.316 486 G CA -1.031 44.238 45.100 0.282 0.000 0.988 486 G HN 0.637 nan 8.290 nan 0.000 0.479 487 N N 1.266 120.068 118.700 0.169 0.000 2.405 487 N HA 0.137 4.877 4.740 0.000 0.000 0.260 487 N C 1.899 177.454 175.510 0.075 0.000 1.152 487 N CA -0.418 52.709 53.050 0.129 0.000 0.948 487 N CB 0.582 39.124 38.487 0.091 0.000 1.111 487 N HN 0.435 nan 8.380 nan 0.000 0.485 488 M N 3.403 123.044 119.600 0.067 0.000 2.267 488 M HA -0.164 4.316 4.480 0.000 0.000 0.263 488 M C 1.489 177.807 176.300 0.031 0.000 1.063 488 M CA 0.968 56.290 55.300 0.037 0.000 1.090 488 M CB -0.460 32.161 32.600 0.035 0.000 1.392 488 M HN 0.544 nan 8.290 nan 0.000 0.422 489 I N 0.221 120.813 120.570 0.037 0.000 2.277 489 I HA -0.214 3.956 4.170 0.000 0.000 0.243 489 I C 1.899 178.030 176.117 0.023 0.000 1.094 489 I CA 1.249 62.566 61.300 0.028 0.000 1.393 489 I CB -1.330 36.688 38.000 0.030 0.000 1.078 489 I HN 0.221 nan 8.210 nan 0.000 0.417 490 D N 0.802 121.219 120.400 0.028 0.000 2.117 490 D HA -0.144 4.496 4.640 0.000 0.000 0.197 490 D C 2.183 178.492 176.300 0.015 0.000 0.987 490 D CA 1.106 55.119 54.000 0.022 0.000 0.829 490 D CB -0.146 40.670 40.800 0.027 0.000 0.961 490 D HN 0.298 nan 8.370 nan 0.000 0.460 491 M N -0.354 119.255 119.600 0.015 0.000 2.700 491 M HA 0.052 4.532 4.480 0.000 0.000 0.249 491 M C 1.050 177.350 176.300 -0.001 0.000 1.082 491 M CA 0.730 56.032 55.300 0.002 0.000 1.077 491 M CB 0.007 32.603 32.600 -0.006 0.000 1.477 491 M HN 0.081 nan 8.290 nan 0.000 0.529 492 G N 1.998 110.801 108.800 0.005 0.000 2.160 492 G HA2 -0.252 3.708 3.960 0.000 0.000 0.251 492 G HA3 -0.252 3.708 3.960 0.000 0.000 0.251 492 G C 0.013 174.916 174.900 0.005 0.000 1.008 492 G CA -0.177 44.926 45.100 0.005 0.000 0.724 492 G HN 0.536 nan 8.290 nan 0.000 0.514 493 I N 0.833 121.406 120.570 0.006 0.000 2.388 493 I HA 0.571 4.741 4.170 0.000 0.000 0.281 493 I C 0.139 176.264 176.117 0.013 0.000 1.046 493 I CA -0.834 60.470 61.300 0.007 0.000 1.187 493 I CB 0.604 38.606 38.000 0.004 0.000 1.351 493 I HN 0.262 nan 8.210 nan 0.000 0.472 494 L N 3.737 124.968 121.223 0.013 0.000 2.710 494 L HA 0.703 5.043 4.340 0.000 0.000 0.260 494 L C -1.721 175.158 176.870 0.016 0.000 0.993 494 L CA -0.799 54.050 54.840 0.016 0.000 0.877 494 L CB 1.784 43.853 42.059 0.017 0.000 1.461 494 L HN 0.107 nan 8.230 nan 0.000 0.413 495 D N -0.159 120.251 120.400 0.016 0.000 2.575 495 D HA 0.518 5.158 4.640 0.000 0.000 0.236 495 D C -2.816 173.494 176.300 0.018 0.000 1.075 495 D CA -1.268 52.742 54.000 0.017 0.000 0.860 495 D CB 2.199 43.009 40.800 0.016 0.000 1.475 495 D HN 0.354 nan 8.370 nan 0.000 0.474 496 P HA -0.008 nan 4.420 nan 0.000 0.267 496 P C 0.880 178.190 177.300 0.017 0.000 1.201 496 P CA 0.169 63.281 63.100 0.020 0.000 0.775 496 P CB 0.614 32.330 31.700 0.027 0.000 0.854 497 T N 1.112 115.674 114.554 0.013 0.000 2.777 497 T HA -0.145 4.205 4.350 0.000 0.000 0.266 497 T C 1.641 176.345 174.700 0.006 0.000 1.040 497 T CA 1.084 63.189 62.100 0.009 0.000 1.141 497 T CB -0.377 68.495 68.868 0.006 0.000 0.868 497 T HN 0.481 nan 8.240 nan 0.000 0.444 498 K N 0.897 121.302 120.400 0.008 0.000 2.049 498 K HA -0.231 4.089 4.320 0.000 0.000 0.219 498 K C 2.390 178.995 176.600 0.007 0.000 1.056 498 K CA 2.238 58.529 56.287 0.006 0.000 0.946 498 K CB -0.633 31.877 32.500 0.017 0.000 0.723 498 K HN 0.318 nan 8.250 nan 0.000 0.453 499 V N -0.283 119.642 119.914 0.019 0.000 2.261 499 V HA -0.193 3.927 4.120 0.000 0.000 0.246 499 V C 1.773 177.877 176.094 0.017 0.000 1.047 499 V CA 2.556 64.870 62.300 0.025 0.000 1.015 499 V CB -1.103 30.738 31.823 0.029 0.000 0.642 499 V HN 0.425 nan 8.190 nan 0.000 0.446 500 T N 0.122 114.683 114.554 0.012 0.000 2.946 500 T HA -0.166 4.184 4.350 0.000 0.000 0.271 500 T C 1.788 176.487 174.700 -0.001 0.000 1.104 500 T CA 2.012 64.117 62.100 0.009 0.000 1.114 500 T CB -0.404 68.469 68.868 0.009 0.000 0.867 500 T HN 0.700 nan 8.240 nan 0.000 0.513 501 R N 0.814 121.307 120.500 -0.012 0.000 2.046 501 R HA 0.017 4.357 4.340 0.000 0.000 0.223 501 R C 2.630 178.894 176.300 -0.061 0.000 1.179 501 R CA 1.214 57.293 56.100 -0.035 0.000 0.952 501 R CB -0.482 29.793 30.300 -0.043 0.000 0.843 501 R HN 0.151 nan 8.270 nan 0.000 0.439 502 S N 1.012 116.669 115.700 -0.072 0.000 2.393 502 S HA -0.309 4.161 4.470 0.000 0.000 0.235 502 S C 2.059 176.643 174.600 -0.027 0.000 1.061 502 S CA 1.807 59.934 58.200 -0.121 0.000 1.129 502 S CB -0.644 62.557 63.200 0.002 0.000 1.011 502 S HN 0.611 nan 8.310 nan 0.000 0.436 503 A N 0.820 123.669 122.820 0.048 0.000 1.917 503 A HA -0.133 4.187 4.320 0.000 0.000 0.219 503 A C 2.147 179.761 177.584 0.050 0.000 1.182 503 A CA 1.850 53.933 52.037 0.077 0.000 0.633 503 A CB -0.693 18.338 19.000 0.051 0.000 0.819 503 A HN 0.441 nan 8.150 nan 0.000 0.448 504 L N -0.499 120.729 121.223 0.008 0.000 2.156 504 L HA -0.120 4.220 4.340 0.000 0.000 0.208 504 L C 2.391 179.254 176.870 -0.012 0.000 1.095 504 L CA 1.989 56.829 54.840 0.001 0.000 0.770 504 L CB -0.530 41.523 42.059 -0.010 0.000 0.914 504 L HN 0.513 nan 8.230 nan 0.000 0.439 505 Q N -1.754 118.008 119.800 -0.062 0.000 2.008 505 Q HA -0.161 4.179 4.340 0.000 0.000 0.196 505 Q C 2.186 178.173 176.000 -0.022 0.000 0.973 505 Q CA 1.606 57.349 55.803 -0.100 0.000 0.826 505 Q CB -0.467 28.128 28.738 -0.239 0.000 0.894 505 Q HN 0.410 nan 8.270 nan 0.000 0.439 506 Y N 1.055 121.356 120.300 0.003 0.000 2.151 506 Y HA -0.258 4.292 4.550 0.000 0.000 0.284 506 Y C 2.459 178.360 175.900 0.001 0.000 1.166 506 Y CA 0.968 59.070 58.100 0.002 0.000 1.163 506 Y CB -0.994 37.468 38.460 0.002 0.000 0.974 506 Y HN 0.186 nan 8.280 nan 0.000 0.511 507 A N -0.036 122.882 122.820 0.163 0.000 1.883 507 A HA -0.167 4.153 4.320 0.000 0.000 0.217 507 A C 2.544 180.168 177.584 0.067 0.000 1.186 507 A CA 2.181 54.272 52.037 0.090 0.000 0.624 507 A CB -1.295 17.741 19.000 0.060 0.000 0.822 507 A HN 0.408 nan 8.150 nan 0.000 0.444 508 A N -0.697 122.156 122.820 0.055 0.000 1.865 508 A HA -0.137 4.183 4.320 0.000 0.000 0.217 508 A C 2.458 180.069 177.584 0.045 0.000 1.191 508 A CA 2.369 54.427 52.037 0.036 0.000 0.623 508 A CB -1.248 17.762 19.000 0.018 0.000 0.826 508 A HN 0.675 nan 8.150 nan 0.000 0.444 509 S N -0.623 115.118 115.700 0.070 0.000 2.427 509 S HA -0.221 4.249 4.470 0.000 0.000 0.231 509 S C 1.905 176.539 174.600 0.057 0.000 1.045 509 S CA 2.351 60.597 58.200 0.076 0.000 1.154 509 S CB -0.927 62.358 63.200 0.142 0.000 1.093 509 S HN 0.396 nan 8.310 nan 0.000 0.422 510 V N 2.824 122.774 119.914 0.061 0.000 2.215 510 V HA -0.289 3.831 4.120 0.000 0.000 0.249 510 V C 2.919 179.028 176.094 0.025 0.000 1.054 510 V CA 2.440 64.761 62.300 0.036 0.000 1.012 510 V CB -1.693 30.147 31.823 0.029 0.000 0.639 510 V HN 0.747 nan 8.190 nan 0.000 0.448 511 A N 0.174 123.009 122.820 0.025 0.000 1.954 511 A HA -0.295 4.025 4.320 0.000 0.000 0.222 511 A C 2.335 179.928 177.584 0.014 0.000 1.199 511 A CA 2.720 54.767 52.037 0.017 0.000 0.657 511 A CB -1.521 17.489 19.000 0.017 0.000 0.823 511 A HN 0.674 nan 8.150 nan 0.000 0.463 512 G N -0.235 108.575 108.800 0.017 0.000 2.552 512 G HA2 -0.216 3.744 3.960 0.000 0.000 0.216 512 G HA3 -0.216 3.744 3.960 0.000 0.000 0.216 512 G C 1.515 176.422 174.900 0.010 0.000 1.240 512 G CA 1.137 46.245 45.100 0.013 0.000 0.796 512 G HN 0.493 nan 8.290 nan 0.000 0.568 513 L N -0.179 121.052 121.223 0.013 0.000 2.030 513 L HA -0.274 4.066 4.340 0.000 0.000 0.222 513 L C 3.148 180.020 176.870 0.004 0.000 1.082 513 L CA 1.939 56.785 54.840 0.009 0.000 0.785 513 L CB -0.604 41.462 42.059 0.012 0.000 0.895 513 L HN 0.266 nan 8.230 nan 0.000 0.439 514 M N -0.569 119.033 119.600 0.003 0.000 2.159 514 M HA -0.195 4.285 4.480 0.000 0.000 0.263 514 M C 2.196 178.494 176.300 -0.003 0.000 1.063 514 M CA 1.749 57.047 55.300 -0.002 0.000 1.110 514 M CB -0.341 32.258 32.600 -0.002 0.000 1.374 514 M HN 0.238 nan 8.290 nan 0.000 0.411 515 I N -0.445 120.125 120.570 -0.000 0.000 2.830 515 I HA -0.133 4.037 4.170 0.000 0.000 0.263 515 I C 1.283 177.399 176.117 -0.002 0.000 1.230 515 I CA 0.937 62.236 61.300 -0.001 0.000 1.480 515 I CB -0.553 37.447 38.000 0.001 0.000 1.095 515 I HN 0.321 nan 8.210 nan 0.000 0.455 516 T N -2.597 111.955 114.554 -0.002 0.000 3.313 516 T HA 0.279 4.629 4.350 0.000 0.000 0.263 516 T C 0.204 174.902 174.700 -0.004 0.000 0.983 516 T CA -0.402 61.696 62.100 -0.003 0.000 0.963 516 T CB -0.196 68.671 68.868 -0.002 0.000 1.141 516 T HN -0.108 nan 8.240 nan 0.000 0.526 517 T N 1.486 116.037 114.554 -0.005 0.000 2.807 517 T HA 0.457 4.807 4.350 0.000 0.000 0.279 517 T C 0.274 174.974 174.700 -0.000 0.000 0.993 517 T CA -0.641 61.456 62.100 -0.004 0.000 0.970 517 T CB 2.119 70.980 68.868 -0.011 0.000 0.950 517 T HN 0.091 nan 8.240 nan 0.000 0.441 518 E N 0.360 120.567 120.200 0.012 0.000 2.541 518 E HA 0.188 4.538 4.350 0.000 0.000 0.219 518 E C -0.029 176.646 176.600 0.126 0.000 0.922 518 E CA 0.108 56.527 56.400 0.032 0.000 1.095 518 E CB 0.927 30.618 29.700 -0.015 0.000 1.112 518 E HN 0.550 nan 8.360 nan 0.000 0.516 519 C N 1.011 120.383 119.300 0.120 0.000 2.686 519 C HA 0.679 5.139 4.460 0.000 0.000 0.318 519 C C -1.271 173.746 174.990 0.045 0.000 1.160 519 C CA -0.583 58.574 59.018 0.232 0.000 1.396 519 C CB 0.345 28.306 27.740 0.367 0.000 1.924 519 C HN 0.106 nan 8.230 nan 0.000 0.471 520 M N 5.334 124.883 119.600 -0.084 0.000 2.326 520 M HA 0.559 5.039 4.480 0.000 0.000 0.306 520 M C -1.153 175.094 176.300 -0.088 0.000 1.054 520 M CA -0.633 54.564 55.300 -0.171 0.000 0.922 520 M CB 2.107 34.420 32.600 -0.479 0.000 1.632 520 M HN 0.357 nan 8.290 nan 0.000 0.436 521 V N 1.758 121.694 119.914 0.037 0.000 2.380 521 V HA 0.506 4.626 4.120 0.000 0.000 0.286 521 V C -0.341 175.843 176.094 0.150 0.000 1.015 521 V CA -0.309 62.051 62.300 0.099 0.000 0.834 521 V CB 1.759 33.624 31.823 0.069 0.000 1.009 521 V HN 0.971 nan 8.190 nan 0.000 0.428 522 T N 2.457 117.144 114.554 0.222 0.000 2.907 522 T HA 0.481 4.831 4.350 0.000 0.000 0.290 522 T C -0.490 174.227 174.700 0.029 0.000 1.066 522 T CA -0.479 61.698 62.100 0.129 0.000 1.012 522 T CB 1.764 70.719 68.868 0.146 0.000 1.184 522 T HN 0.638 nan 8.240 nan 0.000 0.522 523 D N 0.944 121.340 120.400 -0.008 0.000 2.354 523 D HA 0.294 4.934 4.640 0.000 0.000 0.238 523 D C -0.262 175.993 176.300 -0.075 0.000 1.250 523 D CA -0.032 53.949 54.000 -0.032 0.000 0.911 523 D CB 0.263 41.045 40.800 -0.030 0.000 1.163 523 D HN 0.182 nan 8.370 nan 0.000 0.456 524 L N 2.214 123.398 121.223 -0.066 0.000 2.350 524 L HA 0.286 4.626 4.340 0.000 0.000 0.275 524 L C -1.781 175.034 176.870 -0.092 0.000 1.099 524 L CA -1.940 52.849 54.840 -0.085 0.000 0.808 524 L CB 0.825 42.850 42.059 -0.057 0.000 1.149 524 L HN 0.312 nan 8.230 nan 0.000 0.442 525 P HA -0.061 nan 4.420 nan 0.000 0.311 525 P C -0.844 176.415 177.300 -0.069 0.000 1.543 525 P CA 0.760 63.799 63.100 -0.102 0.000 0.766 525 P CB -0.227 31.404 31.700 -0.116 0.000 1.711 526 K N 0.000 120.366 120.400 -0.057 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 -0.042 0.000 0.838 526 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543