REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1gru_1_I DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 3 A N 3.401 126.217 122.820 -0.006 0.000 2.450 3 A HA 0.600 4.920 4.320 -0.000 0.000 0.255 3 A C 0.394 177.974 177.584 -0.007 0.000 1.096 3 A CA 0.042 52.079 52.037 -0.000 0.000 0.778 3 A CB 0.182 19.184 19.000 0.004 0.000 1.031 3 A HN 0.600 nan 8.150 nan 0.000 0.494 4 K N 1.434 121.834 120.400 0.001 0.000 2.132 4 K HA 0.421 4.741 4.320 -0.000 0.000 0.241 4 K C -0.847 175.764 176.600 0.018 0.000 1.000 4 K CA -0.659 55.624 56.287 -0.008 0.000 0.911 4 K CB 0.977 33.476 32.500 -0.001 0.000 1.093 4 K HN 0.721 nan 8.250 nan 0.000 0.460 5 D N 0.635 121.040 120.400 0.007 0.000 2.278 5 D HA 0.372 5.012 4.640 -0.000 0.000 0.245 5 D C -1.319 175.124 176.300 0.239 0.000 1.052 5 D CA -0.632 53.424 54.000 0.094 0.000 0.834 5 D CB 1.271 42.083 40.800 0.020 0.000 1.194 5 D HN 0.059 nan 8.370 nan 0.000 0.481 6 V N 4.113 124.194 119.914 0.277 0.000 2.588 6 V HA 0.484 4.604 4.120 -0.000 0.000 0.304 6 V C 0.107 176.322 176.094 0.202 0.000 1.042 6 V CA -0.811 61.632 62.300 0.239 0.000 0.877 6 V CB 1.971 33.870 31.823 0.127 0.000 0.996 6 V HN 0.418 nan 8.190 nan 0.000 0.425 7 K N 3.036 123.412 120.400 -0.041 0.000 2.340 7 K HA 0.790 5.110 4.320 -0.000 0.000 0.244 7 K C -1.636 174.857 176.600 -0.179 0.000 0.973 7 K CA -0.573 55.649 56.287 -0.108 0.000 0.828 7 K CB 2.475 34.656 32.500 -0.531 0.000 1.226 7 K HN 0.422 nan 8.250 nan 0.000 0.437 8 F N -0.567 119.313 119.950 -0.116 0.000 2.631 8 F HA 0.406 4.933 4.527 -0.000 0.000 0.328 8 F C 1.309 177.060 175.800 -0.081 0.000 1.067 8 F CA -0.093 57.861 58.000 -0.077 0.000 0.969 8 F CB 0.948 39.922 39.000 -0.043 0.000 1.332 8 F HN 0.806 nan 8.300 nan 0.000 0.490 9 G N 1.561 110.455 108.800 0.157 0.000 2.672 9 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.356 9 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.356 9 G C 1.112 176.019 174.900 0.011 0.000 1.312 9 G CA 1.368 46.507 45.100 0.065 0.000 0.980 9 G HN 0.688 nan 8.290 nan 0.000 0.540 10 N N 1.275 119.978 118.700 0.005 0.000 2.018 10 N HA -0.051 4.689 4.740 -0.000 0.000 0.196 10 N C 1.840 177.325 175.510 -0.040 0.000 1.043 10 N CA 1.927 54.967 53.050 -0.016 0.000 0.856 10 N CB -0.699 37.782 38.487 -0.011 0.000 1.042 10 N HN 0.625 nan 8.380 nan 0.000 0.423 11 D N 0.179 120.557 120.400 -0.037 0.000 2.191 11 D HA -0.244 4.396 4.640 -0.000 0.000 0.190 11 D C 1.745 177.947 176.300 -0.164 0.000 1.007 11 D CA 1.957 55.910 54.000 -0.077 0.000 0.865 11 D CB -0.473 40.296 40.800 -0.051 0.000 0.929 11 D HN 0.387 nan 8.370 nan 0.000 0.447 12 A N 0.462 123.181 122.820 -0.168 0.000 1.832 12 A HA -0.169 4.151 4.320 -0.000 0.000 0.214 12 A C 2.149 179.633 177.584 -0.166 0.000 1.200 12 A CA 1.626 53.510 52.037 -0.255 0.000 0.610 12 A CB -0.528 18.353 19.000 -0.198 0.000 0.842 12 A HN 0.102 nan 8.150 nan 0.000 0.444 13 R N -0.602 119.843 120.500 -0.091 0.000 2.103 13 R HA -0.128 4.212 4.340 -0.000 0.000 0.242 13 R C 2.057 178.328 176.300 -0.047 0.000 1.142 13 R CA 1.544 57.611 56.100 -0.055 0.000 0.960 13 R CB -0.805 29.476 30.300 -0.032 0.000 0.858 13 R HN 0.395 nan 8.270 nan 0.000 0.439 14 V N 1.696 121.580 119.914 -0.051 0.000 2.252 14 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 14 V C 2.366 178.440 176.094 -0.033 0.000 1.056 14 V CA 1.740 64.019 62.300 -0.036 0.000 1.022 14 V CB -0.430 31.372 31.823 -0.034 0.000 0.641 14 V HN 0.243 nan 8.190 nan 0.000 0.445 15 K N -0.450 119.915 120.400 -0.058 0.000 2.001 15 K HA -0.159 4.161 4.320 -0.000 0.000 0.214 15 K C 2.144 178.747 176.600 0.005 0.000 1.050 15 K CA 1.847 58.118 56.287 -0.026 0.000 0.934 15 K CB -0.712 31.745 32.500 -0.071 0.000 0.718 15 K HN 0.411 nan 8.250 nan 0.000 0.443 16 M N 0.291 119.885 119.600 -0.011 0.000 2.144 16 M HA -0.224 4.256 4.480 -0.000 0.000 0.260 16 M C 2.184 178.489 176.300 0.008 0.000 1.067 16 M CA 1.196 56.502 55.300 0.010 0.000 1.095 16 M CB -0.358 32.239 32.600 -0.004 0.000 1.365 16 M HN 0.064 nan 8.290 nan 0.000 0.406 17 L N 0.430 121.652 121.223 -0.001 0.000 2.005 17 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 17 L C 2.375 179.249 176.870 0.007 0.000 1.072 17 L CA 1.873 56.714 54.840 0.002 0.000 0.744 17 L CB -0.617 41.440 42.059 -0.003 0.000 0.895 17 L HN 0.136 nan 8.230 nan 0.000 0.433 18 R N -0.381 120.124 120.500 0.008 0.000 2.094 18 R HA -0.152 4.188 4.340 -0.000 0.000 0.239 18 R C 2.208 178.518 176.300 0.016 0.000 1.137 18 R CA 1.394 57.501 56.100 0.012 0.000 0.943 18 R CB -1.353 28.956 30.300 0.015 0.000 0.850 18 R HN 0.595 nan 8.270 nan 0.000 0.433 19 G N 0.978 109.792 108.800 0.023 0.000 2.586 19 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.218 19 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.218 19 G C 1.458 176.367 174.900 0.017 0.000 1.216 19 G CA 1.220 46.335 45.100 0.026 0.000 0.786 19 G HN 0.301 nan 8.290 nan 0.000 0.583 20 V N 1.335 121.257 119.914 0.014 0.000 2.231 20 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 20 V C 2.272 178.371 176.094 0.008 0.000 1.058 20 V CA 3.107 65.413 62.300 0.009 0.000 1.022 20 V CB -1.061 30.767 31.823 0.008 0.000 0.640 20 V HN 0.601 nan 8.190 nan 0.000 0.445 21 N N -0.455 118.250 118.700 0.008 0.000 2.064 21 N HA -0.250 4.490 4.740 -0.000 0.000 0.200 21 N C 1.807 177.321 175.510 0.006 0.000 1.028 21 N CA 2.302 55.356 53.050 0.007 0.000 0.880 21 N CB -0.445 38.046 38.487 0.007 0.000 1.062 21 N HN 0.471 nan 8.380 nan 0.000 0.454 22 V N 1.972 121.890 119.914 0.007 0.000 2.231 22 V HA -0.273 3.847 4.120 -0.000 0.000 0.250 22 V C 2.293 178.389 176.094 0.004 0.000 1.058 22 V CA 1.576 63.880 62.300 0.006 0.000 1.022 22 V CB -0.775 31.053 31.823 0.007 0.000 0.640 22 V HN 0.417 nan 8.190 nan 0.000 0.445 23 L N 0.196 121.422 121.223 0.004 0.000 1.963 23 L HA -0.278 4.062 4.340 -0.000 0.000 0.220 23 L C 2.572 179.443 176.870 0.001 0.000 1.076 23 L CA 3.072 57.913 54.840 0.002 0.000 0.772 23 L CB -1.310 40.750 42.059 0.001 0.000 0.892 23 L HN 0.395 nan 8.230 nan 0.000 0.435 24 A N -0.381 122.440 122.820 0.003 0.000 1.865 24 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 24 A C 1.883 179.469 177.584 0.003 0.000 1.191 24 A CA 1.964 54.003 52.037 0.003 0.000 0.623 24 A CB -0.831 18.172 19.000 0.005 0.000 0.826 24 A HN 0.590 nan 8.150 nan 0.000 0.444 25 D N -0.194 120.208 120.400 0.004 0.000 2.221 25 D HA -0.047 4.593 4.640 -0.000 0.000 0.204 25 D C 2.057 178.359 176.300 0.002 0.000 0.982 25 D CA 1.430 55.432 54.000 0.003 0.000 0.857 25 D CB -0.235 40.567 40.800 0.004 0.000 0.934 25 D HN 0.468 nan 8.370 nan 0.000 0.475 26 A N 0.133 122.954 122.820 0.002 0.000 1.975 26 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 26 A C 2.218 179.802 177.584 -0.000 0.000 1.170 26 A CA 0.557 52.595 52.037 0.001 0.000 0.656 26 A CB -0.188 18.812 19.000 0.000 0.000 0.821 26 A HN 0.178 nan 8.150 nan 0.000 0.449 27 V N 0.849 120.763 119.914 -0.000 0.000 3.174 27 V HA -0.079 4.041 4.120 -0.000 0.000 0.254 27 V C 2.258 178.351 176.094 -0.001 0.000 1.120 27 V CA 1.852 64.151 62.300 -0.001 0.000 1.114 27 V CB -0.406 31.415 31.823 -0.002 0.000 0.756 27 V HN 0.769 nan 8.190 nan 0.000 0.467 28 K N 0.780 121.180 120.400 0.000 0.000 2.217 28 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 28 K C 1.702 178.302 176.600 0.001 0.000 1.051 28 K CA 1.766 58.054 56.287 0.001 0.000 0.952 28 K CB -0.804 31.698 32.500 0.003 0.000 0.736 28 K HN 0.486 nan 8.250 nan 0.000 0.453 29 V N 0.308 120.222 119.914 0.001 0.000 3.186 29 V HA -0.100 4.020 4.120 -0.000 0.000 0.270 29 V C 1.655 177.748 176.094 -0.002 0.000 1.149 29 V CA 1.604 63.905 62.300 0.000 0.000 1.160 29 V CB -1.225 30.598 31.823 0.001 0.000 0.758 29 V HN 0.541 nan 8.190 nan 0.000 0.516 30 T N -3.602 110.951 114.554 -0.003 0.000 3.176 30 T HA 0.296 4.646 4.350 -0.000 0.000 0.263 30 T C 1.180 175.875 174.700 -0.007 0.000 1.021 30 T CA 0.308 62.404 62.100 -0.005 0.000 0.905 30 T CB 0.602 69.467 68.868 -0.005 0.000 1.057 30 T HN 0.325 nan 8.240 nan 0.000 0.558 31 L N 2.621 123.840 121.223 -0.007 0.000 1.993 31 L HA 0.425 4.765 4.340 -0.000 0.000 0.206 31 L C 1.683 178.544 176.870 -0.015 0.000 1.074 31 L CA 1.498 56.333 54.840 -0.009 0.000 0.746 31 L CB -1.295 40.761 42.059 -0.005 0.000 0.896 31 L HN 0.425 nan 8.230 nan 0.000 0.435 32 G N -0.726 108.065 108.800 -0.016 0.000 2.785 32 G HA2 0.053 4.013 3.960 -0.000 0.000 0.256 32 G HA3 0.053 4.013 3.960 -0.000 0.000 0.256 32 G C -1.734 173.146 174.900 -0.032 0.000 1.248 32 G CA 0.136 45.220 45.100 -0.027 0.000 0.914 32 G HN 0.408 nan 8.290 nan 0.000 0.580 33 P HA 0.034 nan 4.420 nan 0.000 0.229 33 P C 0.469 177.746 177.300 -0.039 0.000 1.160 33 P CA 0.985 64.058 63.100 -0.046 0.000 0.777 33 P CB 0.421 32.081 31.700 -0.066 0.000 0.814 34 K N 0.835 121.212 120.400 -0.038 0.000 3.045 34 K HA 0.366 4.686 4.320 -0.000 0.000 0.214 34 K C 0.647 177.237 176.600 -0.017 0.000 1.213 34 K CA -0.419 55.852 56.287 -0.027 0.000 1.111 34 K CB 0.715 33.199 32.500 -0.028 0.000 1.454 34 K HN 0.014 nan 8.250 nan 0.000 0.498 35 G N 0.896 109.687 108.800 -0.016 0.000 2.476 35 G HA2 0.244 4.204 3.960 -0.000 0.000 0.286 35 G HA3 0.244 4.204 3.960 -0.000 0.000 0.286 35 G C 0.026 174.922 174.900 -0.007 0.000 1.177 35 G CA -0.622 44.472 45.100 -0.010 0.000 0.870 35 G HN 0.191 nan 8.290 nan 0.000 0.528 36 R N -0.256 120.241 120.500 -0.004 0.000 2.583 36 R HA 0.245 4.585 4.340 -0.000 0.000 0.268 36 R C 0.480 176.778 176.300 -0.003 0.000 1.101 36 R CA -0.492 55.607 56.100 -0.003 0.000 1.180 36 R CB 0.302 30.601 30.300 -0.001 0.000 1.128 36 R HN 0.856 nan 8.270 nan 0.000 0.568 37 N N -1.145 117.554 118.700 -0.002 0.000 2.362 37 N HA 0.513 5.253 4.740 -0.000 0.000 0.299 37 N C -0.941 174.569 175.510 -0.001 0.000 1.170 37 N CA -0.845 52.204 53.050 -0.002 0.000 0.825 37 N CB 1.754 40.240 38.487 -0.002 0.000 1.299 37 N HN 0.041 nan 8.380 nan 0.000 0.502 38 V N 0.784 120.697 119.914 -0.001 0.000 2.881 38 V HA 0.397 4.517 4.120 -0.000 0.000 0.316 38 V C -0.184 175.910 176.094 0.000 0.000 1.070 38 V CA -0.805 61.495 62.300 -0.000 0.000 0.976 38 V CB 2.003 33.826 31.823 -0.001 0.000 1.038 38 V HN 0.492 nan 8.190 nan 0.000 0.446 39 V N 4.580 124.494 119.914 0.000 0.000 2.357 39 V HA 0.399 4.519 4.120 -0.000 0.000 0.284 39 V C -0.615 175.479 176.094 0.001 0.000 1.018 39 V CA -0.537 61.764 62.300 0.001 0.000 0.841 39 V CB 1.439 33.262 31.823 0.001 0.000 0.991 39 V HN 0.487 nan 8.190 nan 0.000 0.437 40 L N 3.756 124.981 121.223 0.003 0.000 2.272 40 L HA 0.423 4.763 4.340 -0.000 0.000 0.284 40 L C 0.124 176.998 176.870 0.007 0.000 1.045 40 L CA -0.130 54.713 54.840 0.004 0.000 0.842 40 L CB 0.733 42.796 42.059 0.006 0.000 1.224 40 L HN 0.667 nan 8.230 nan 0.000 0.430 41 D N 3.235 123.637 120.400 0.003 0.000 2.488 41 D HA 0.046 4.686 4.640 -0.000 0.000 0.238 41 D C 0.006 176.313 176.300 0.010 0.000 1.138 41 D CA 0.651 54.653 54.000 0.003 0.000 0.873 41 D CB 0.960 41.756 40.800 -0.007 0.000 1.183 41 D HN 0.318 nan 8.370 nan 0.000 0.458 42 K N 1.800 122.212 120.400 0.019 0.000 2.156 42 K HA 0.261 4.581 4.320 -0.000 0.000 0.254 42 K C 0.966 177.583 176.600 0.028 0.000 0.950 42 K CA -0.668 55.647 56.287 0.047 0.000 0.849 42 K CB 1.428 33.971 32.500 0.071 0.000 1.100 42 K HN 0.377 nan 8.250 nan 0.000 0.434 43 S N 1.789 117.513 115.700 0.040 0.000 2.343 43 S HA -0.070 4.400 4.470 -0.000 0.000 0.219 43 S C 0.287 174.748 174.600 -0.232 0.000 1.033 43 S CA 1.219 59.334 58.200 -0.143 0.000 1.014 43 S CB -0.153 62.924 63.200 -0.206 0.000 0.915 43 S HN 0.391 nan 8.310 nan 0.000 0.435 44 F N 1.554 121.500 119.950 -0.006 0.000 2.404 44 F HA 0.625 5.152 4.527 -0.000 0.000 0.354 44 F C 1.092 176.889 175.800 -0.005 0.000 1.122 44 F CA -0.122 57.874 58.000 -0.005 0.000 1.080 44 F CB 0.581 39.578 39.000 -0.005 0.000 1.131 44 F HN 0.432 nan 8.300 nan 0.000 0.471 45 G N 1.304 110.188 108.800 0.140 0.000 2.545 45 G HA2 0.195 4.155 3.960 -0.000 0.000 0.216 45 G HA3 0.195 4.155 3.960 -0.000 0.000 0.216 45 G C -0.642 174.288 174.900 0.049 0.000 1.314 45 G CA -0.686 44.466 45.100 0.087 0.000 0.906 45 G HN 1.076 nan 8.290 nan 0.000 0.563 46 A N 1.858 124.702 122.820 0.039 0.000 2.425 46 A HA 0.698 5.018 4.320 -0.000 0.000 0.249 46 A C -0.617 176.982 177.584 0.025 0.000 1.084 46 A CA 0.101 52.153 52.037 0.025 0.000 0.781 46 A CB -0.158 18.853 19.000 0.020 0.000 1.019 46 A HN 0.933 nan 8.150 nan 0.000 0.490 47 P HA 0.154 nan 4.420 nan 0.000 0.271 47 P C -0.379 176.929 177.300 0.014 0.000 1.244 47 P CA 0.109 63.217 63.100 0.014 0.000 0.793 47 P CB 0.402 32.105 31.700 0.006 0.000 0.984 48 T N 1.209 115.770 114.554 0.012 0.000 2.792 48 T HA 0.529 4.879 4.350 -0.000 0.000 0.280 48 T C 0.218 174.922 174.700 0.006 0.000 0.990 48 T CA -0.346 61.761 62.100 0.010 0.000 0.960 48 T CB 0.327 69.202 68.868 0.012 0.000 0.939 48 T HN 0.195 nan 8.240 nan 0.000 0.439 49 I N 2.546 123.119 120.570 0.005 0.000 2.412 49 I HA 0.643 4.813 4.170 -0.000 0.000 0.296 49 I C 0.469 176.587 176.117 0.002 0.000 0.987 49 I CA -0.496 60.806 61.300 0.003 0.000 1.180 49 I CB 1.915 39.916 38.000 0.002 0.000 1.340 49 I HN 0.525 nan 8.210 nan 0.000 0.455 50 T N 3.828 118.382 114.554 0.000 0.000 2.769 50 T HA 0.376 4.726 4.350 -0.000 0.000 0.306 50 T C -0.426 174.272 174.700 -0.002 0.000 1.400 50 T CA -0.629 61.470 62.100 -0.001 0.000 1.007 50 T CB 1.690 70.558 68.868 -0.000 0.000 1.392 50 T HN 0.694 nan 8.240 nan 0.000 0.500 51 K N 0.874 121.272 120.400 -0.004 0.000 2.469 51 K HA 0.217 4.537 4.320 -0.000 0.000 0.204 51 K C -0.741 175.855 176.600 -0.006 0.000 1.047 51 K CA -0.268 56.016 56.287 -0.005 0.000 1.072 51 K CB 0.552 33.048 32.500 -0.006 0.000 0.863 51 K HN 0.431 nan 8.250 nan 0.000 0.530 52 D N 0.552 120.949 120.400 -0.005 0.000 2.441 52 D HA 0.104 4.744 4.640 -0.000 0.000 0.221 52 D C 1.274 177.570 176.300 -0.006 0.000 1.156 52 D CA -0.142 53.854 54.000 -0.006 0.000 0.896 52 D CB 0.987 41.784 40.800 -0.005 0.000 1.028 52 D HN 0.205 nan 8.370 nan 0.000 0.509 53 G N 2.445 111.241 108.800 -0.007 0.000 2.505 53 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 53 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 53 G C 1.600 176.495 174.900 -0.008 0.000 1.145 53 G CA 0.942 46.038 45.100 -0.007 0.000 0.761 53 G HN 0.486 nan 8.290 nan 0.000 0.571 54 V N 0.797 120.705 119.914 -0.010 0.000 2.324 54 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 54 V C 3.135 179.224 176.094 -0.008 0.000 1.060 54 V CA 2.393 64.687 62.300 -0.011 0.000 1.042 54 V CB -0.635 31.181 31.823 -0.013 0.000 0.650 54 V HN 0.405 nan 8.190 nan 0.000 0.450 55 S N -0.556 115.140 115.700 -0.006 0.000 2.348 55 S HA -0.170 4.300 4.470 -0.000 0.000 0.221 55 S C 1.989 176.587 174.600 -0.004 0.000 1.033 55 S CA 1.531 59.729 58.200 -0.004 0.000 1.010 55 S CB -0.274 62.925 63.200 -0.002 0.000 0.891 55 S HN 0.344 nan 8.310 nan 0.000 0.442 56 V N 2.365 122.277 119.914 -0.004 0.000 2.215 56 V HA -0.337 3.783 4.120 -0.000 0.000 0.249 56 V C 2.682 178.773 176.094 -0.004 0.000 1.054 56 V CA 2.086 64.384 62.300 -0.003 0.000 1.012 56 V CB -1.411 30.410 31.823 -0.003 0.000 0.639 56 V HN 0.571 nan 8.190 nan 0.000 0.448 57 A N -0.137 122.680 122.820 -0.006 0.000 1.896 57 A HA -0.401 3.919 4.320 -0.000 0.000 0.220 57 A C 2.348 179.926 177.584 -0.009 0.000 1.206 57 A CA 2.965 54.997 52.037 -0.008 0.000 0.647 57 A CB -0.841 18.152 19.000 -0.010 0.000 0.828 57 A HN 0.579 nan 8.150 nan 0.000 0.455 58 R N -0.650 119.844 120.500 -0.009 0.000 2.134 58 R HA -0.259 4.081 4.340 -0.000 0.000 0.248 58 R C 1.946 178.242 176.300 -0.008 0.000 1.143 58 R CA 2.220 58.315 56.100 -0.009 0.000 0.957 58 R CB -0.308 29.988 30.300 -0.007 0.000 0.867 58 R HN 0.497 nan 8.270 nan 0.000 0.441 59 E N 0.037 120.234 120.200 -0.005 0.000 2.274 59 E HA 0.018 4.368 4.350 -0.000 0.000 0.194 59 E C -0.024 176.573 176.600 -0.006 0.000 0.996 59 E CA 0.249 56.646 56.400 -0.004 0.000 0.840 59 E CB 0.096 29.795 29.700 -0.001 0.000 0.772 59 E HN 0.250 nan 8.360 nan 0.000 0.491 60 I N 2.097 122.663 120.570 -0.006 0.000 2.587 60 I HA 0.056 4.226 4.170 -0.000 0.000 0.284 60 I C 0.245 176.358 176.117 -0.007 0.000 1.134 60 I CA 0.658 61.955 61.300 -0.005 0.000 1.410 60 I CB -0.149 37.848 38.000 -0.004 0.000 1.392 60 I HN 0.093 nan 8.210 nan 0.000 0.545 61 E N 7.624 127.820 120.200 -0.006 0.000 2.349 61 E HA 0.382 4.732 4.350 -0.000 0.000 0.290 61 E C -1.737 174.859 176.600 -0.006 0.000 0.901 61 E CA -0.563 55.832 56.400 -0.008 0.000 0.800 61 E CB 1.394 31.087 29.700 -0.012 0.000 1.303 61 E HN 0.467 nan 8.360 nan 0.000 0.397 62 L N 3.412 124.634 121.223 -0.002 0.000 2.399 62 L HA 0.375 4.715 4.340 -0.000 0.000 0.265 62 L C 1.617 178.485 176.870 -0.003 0.000 1.089 62 L CA -0.429 54.413 54.840 0.002 0.000 0.802 62 L CB 1.086 43.152 42.059 0.012 0.000 1.180 62 L HN 0.738 nan 8.230 nan 0.000 0.454 63 E N 0.610 120.810 120.200 -0.001 0.000 2.046 63 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 63 E C 0.512 177.109 176.600 -0.005 0.000 0.982 63 E CA 0.395 56.791 56.400 -0.006 0.000 0.800 63 E CB 0.263 29.961 29.700 -0.003 0.000 0.756 63 E HN 0.667 nan 8.360 nan 0.000 0.449 64 D N 1.639 122.048 120.400 0.015 0.000 2.363 64 D HA -0.025 4.615 4.640 -0.000 0.000 0.263 64 D C -0.512 175.805 176.300 0.028 0.000 1.258 64 D CA 0.229 54.251 54.000 0.036 0.000 0.907 64 D CB 0.511 41.353 40.800 0.071 0.000 1.107 64 D HN 0.078 nan 8.370 nan 0.000 0.495 65 K N 2.635 123.007 120.400 -0.047 0.000 2.188 65 K HA 0.067 4.387 4.320 -0.000 0.000 0.246 65 K C 0.700 177.312 176.600 0.021 0.000 1.026 65 K CA -0.474 55.742 56.287 -0.118 0.000 0.871 65 K CB 0.583 32.895 32.500 -0.313 0.000 1.042 65 K HN 0.357 nan 8.250 nan 0.000 0.509 66 F N -1.172 118.770 119.950 -0.013 0.000 2.529 66 F HA -0.379 4.148 4.527 -0.000 0.000 0.744 66 F C 1.817 177.609 175.800 -0.012 0.000 0.485 66 F CA 1.903 59.894 58.000 -0.015 0.000 0.764 66 F CB -1.382 37.612 39.000 -0.010 0.000 1.616 66 F HN 0.727 nan 8.300 nan 0.000 0.276 67 E N 0.112 120.451 120.200 0.231 0.000 2.058 67 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 67 E C 1.608 178.254 176.600 0.076 0.000 0.997 67 E CA 1.653 58.120 56.400 0.111 0.000 0.801 67 E CB -0.414 29.336 29.700 0.084 0.000 0.746 67 E HN 0.553 nan 8.360 nan 0.000 0.450 68 N N 0.447 119.185 118.700 0.064 0.000 2.149 68 N HA -0.166 4.574 4.740 -0.000 0.000 0.188 68 N C 1.801 177.329 175.510 0.029 0.000 1.019 68 N CA 1.375 54.442 53.050 0.030 0.000 0.857 68 N CB 0.024 38.514 38.487 0.005 0.000 0.997 68 N HN 0.091 nan 8.380 nan 0.000 0.426 69 M N -0.551 119.079 119.600 0.050 0.000 2.065 69 M HA -0.054 4.426 4.480 -0.000 0.000 0.259 69 M C 2.355 178.677 176.300 0.037 0.000 1.069 69 M CA 1.733 57.059 55.300 0.044 0.000 1.110 69 M CB -1.094 31.553 32.600 0.078 0.000 1.328 69 M HN 0.309 nan 8.290 nan 0.000 0.405 70 G N 0.468 109.298 108.800 0.050 0.000 2.556 70 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.220 70 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.220 70 G C 1.628 176.538 174.900 0.017 0.000 1.156 70 G CA 1.733 46.851 45.100 0.031 0.000 0.766 70 G HN 0.573 nan 8.290 nan 0.000 0.583 71 A N -0.141 122.689 122.820 0.017 0.000 1.835 71 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 71 A C 2.412 179.995 177.584 -0.001 0.000 1.199 71 A CA 2.215 54.257 52.037 0.007 0.000 0.615 71 A CB -0.584 18.420 19.000 0.007 0.000 0.838 71 A HN 0.332 nan 8.150 nan 0.000 0.444 72 Q N -0.509 119.290 119.800 -0.002 0.000 2.197 72 Q HA -0.205 4.135 4.340 -0.000 0.000 0.207 72 Q C 2.137 178.127 176.000 -0.016 0.000 0.984 72 Q CA 1.808 57.605 55.803 -0.010 0.000 0.869 72 Q CB -0.634 28.098 28.738 -0.010 0.000 0.906 72 Q HN 0.801 nan 8.270 nan 0.000 0.426 73 M N -0.480 119.115 119.600 -0.009 0.000 2.117 73 M HA -0.158 4.322 4.480 -0.000 0.000 0.262 73 M C 2.246 178.532 176.300 -0.024 0.000 1.065 73 M CA 1.187 56.479 55.300 -0.013 0.000 1.114 73 M CB -0.310 32.289 32.600 -0.002 0.000 1.361 73 M HN -0.013 nan 8.290 nan 0.000 0.408 74 V N 0.420 120.324 119.914 -0.017 0.000 2.255 74 V HA -0.233 3.887 4.120 -0.000 0.000 0.243 74 V C 2.153 178.224 176.094 -0.037 0.000 1.038 74 V CA 1.733 64.020 62.300 -0.021 0.000 1.008 74 V CB -0.749 31.069 31.823 -0.008 0.000 0.645 74 V HN 0.408 nan 8.190 nan 0.000 0.449 75 K N 0.048 120.430 120.400 -0.030 0.000 2.097 75 K HA -0.343 3.977 4.320 -0.000 0.000 0.214 75 K C 2.162 178.726 176.600 -0.059 0.000 1.052 75 K CA 2.395 58.660 56.287 -0.036 0.000 0.932 75 K CB -0.349 32.135 32.500 -0.027 0.000 0.716 75 K HN 0.595 nan 8.250 nan 0.000 0.455 76 E N 0.719 120.881 120.200 -0.062 0.000 2.021 76 E HA -0.229 4.121 4.350 -0.000 0.000 0.200 76 E C 2.045 178.554 176.600 -0.151 0.000 1.015 76 E CA 1.740 58.088 56.400 -0.086 0.000 0.824 76 E CB -0.108 29.549 29.700 -0.072 0.000 0.762 76 E HN 0.167 nan 8.360 nan 0.000 0.454 77 V N 0.566 120.374 119.914 -0.178 0.000 2.515 77 V HA -0.153 3.967 4.120 -0.000 0.000 0.250 77 V C 2.165 178.056 176.094 -0.337 0.000 1.058 77 V CA 1.980 64.077 62.300 -0.339 0.000 1.064 77 V CB -0.343 31.326 31.823 -0.255 0.000 0.675 77 V HN 0.471 nan 8.190 nan 0.000 0.461 78 A N -0.970 121.758 122.820 -0.153 0.000 2.015 78 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 78 A C 2.509 180.041 177.584 -0.087 0.000 1.163 78 A CA 2.038 54.027 52.037 -0.080 0.000 0.646 78 A CB -0.713 18.266 19.000 -0.035 0.000 0.806 78 A HN 0.607 nan 8.150 nan 0.000 0.448 79 S N -0.253 115.380 115.700 -0.111 0.000 2.345 79 S HA -0.150 4.320 4.470 -0.000 0.000 0.219 79 S C 2.010 176.545 174.600 -0.108 0.000 1.031 79 S CA 1.483 59.631 58.200 -0.086 0.000 0.984 79 S CB -0.335 62.822 63.200 -0.072 0.000 0.874 79 S HN 0.579 nan 8.310 nan 0.000 0.451 80 K N 1.184 121.461 120.400 -0.206 0.000 2.144 80 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 80 K C 2.330 178.875 176.600 -0.091 0.000 1.047 80 K CA 1.327 57.471 56.287 -0.239 0.000 0.927 80 K CB -0.564 31.611 32.500 -0.542 0.000 0.716 80 K HN 0.479 nan 8.250 nan 0.000 0.454 81 A N 2.443 125.206 122.820 -0.095 0.000 1.849 81 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 81 A C 2.090 179.755 177.584 0.136 0.000 1.202 81 A CA 2.010 54.224 52.037 0.295 0.000 0.629 81 A CB -0.943 18.221 19.000 0.273 0.000 0.834 81 A HN 0.391 nan 8.150 nan 0.000 0.447 82 N N 0.229 118.952 118.700 0.039 0.000 2.094 82 N HA -0.228 4.512 4.740 -0.000 0.000 0.191 82 N C 1.199 176.702 175.510 -0.012 0.000 1.023 82 N CA 2.105 55.148 53.050 -0.011 0.000 0.857 82 N CB -0.556 37.909 38.487 -0.038 0.000 1.013 82 N HN 0.404 nan 8.380 nan 0.000 0.426 83 D N 0.319 120.721 120.400 0.004 0.000 2.149 83 D HA -0.128 4.512 4.640 -0.000 0.000 0.194 83 D C 0.714 177.042 176.300 0.048 0.000 1.001 83 D CA 1.551 55.561 54.000 0.017 0.000 0.849 83 D CB -0.336 40.470 40.800 0.010 0.000 0.939 83 D HN 0.453 nan 8.370 nan 0.000 0.449 84 A N -1.395 121.477 122.820 0.087 0.000 2.842 84 A HA 0.671 4.991 4.320 -0.000 0.000 0.298 84 A C 0.889 178.514 177.584 0.068 0.000 1.293 84 A CA 0.568 52.661 52.037 0.093 0.000 0.959 84 A CB 0.290 19.370 19.000 0.134 0.000 1.119 84 A HN 0.144 nan 8.150 nan 0.000 0.564 85 A N -2.534 120.307 122.820 0.036 0.000 2.452 85 A HA 0.441 4.761 4.320 -0.000 0.000 0.147 85 A C 1.504 179.056 177.584 -0.054 0.000 1.842 85 A CA 0.860 52.907 52.037 0.016 0.000 1.336 85 A CB -0.704 18.309 19.000 0.021 0.000 1.524 85 A HN 2.010 nan 8.150 nan 0.000 0.369 86 G N -0.869 107.836 108.800 -0.158 0.000 2.175 86 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.244 86 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.244 86 G C -0.168 174.573 174.900 -0.266 0.000 0.982 86 G CA 0.921 45.761 45.100 -0.432 0.000 0.641 86 G HN 1.140 nan 8.290 nan 0.000 0.527 87 D N -3.042 117.285 120.400 -0.122 0.000 2.827 87 D HA 0.487 5.127 4.640 -0.000 0.000 0.336 87 D C 1.067 177.351 176.300 -0.027 0.000 1.374 87 D CA 1.130 55.087 54.000 -0.071 0.000 0.794 87 D CB 0.499 41.264 40.800 -0.058 0.000 1.364 87 D HN 1.329 nan 8.370 nan 0.000 0.464 88 G N -0.490 108.301 108.800 -0.014 0.000 2.279 88 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.223 88 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.223 88 G C 1.178 176.084 174.900 0.010 0.000 1.015 88 G CA 1.239 46.343 45.100 0.006 0.000 0.621 88 G HN 0.614 nan 8.290 nan 0.000 0.506 89 T N 1.199 115.753 114.554 0.001 0.000 2.656 89 T HA -0.310 4.040 4.350 -0.000 0.000 0.262 89 T C 2.318 177.017 174.700 -0.002 0.000 1.070 89 T CA 3.050 65.147 62.100 -0.005 0.000 1.160 89 T CB -1.012 67.845 68.868 -0.018 0.000 0.855 89 T HN 0.645 nan 8.240 nan 0.000 0.456 90 T N 1.566 116.117 114.554 -0.004 0.000 2.668 90 T HA -0.093 4.257 4.350 -0.000 0.000 0.258 90 T C 2.350 177.052 174.700 0.004 0.000 1.051 90 T CA 1.699 63.798 62.100 -0.002 0.000 1.155 90 T CB -1.003 67.863 68.868 -0.005 0.000 0.864 90 T HN 0.439 nan 8.240 nan 0.000 0.413 91 T N 2.445 117.002 114.554 0.005 0.000 2.624 91 T HA -0.249 4.101 4.350 -0.000 0.000 0.266 91 T C 2.312 177.024 174.700 0.019 0.000 1.050 91 T CA 1.680 63.786 62.100 0.010 0.000 1.163 91 T CB -0.853 68.020 68.868 0.010 0.000 0.861 91 T HN 0.461 nan 8.240 nan 0.000 0.443 92 A N 1.155 123.993 122.820 0.029 0.000 1.903 92 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 92 A C 2.589 180.192 177.584 0.031 0.000 1.191 92 A CA 2.586 54.650 52.037 0.045 0.000 0.638 92 A CB -1.486 17.555 19.000 0.068 0.000 0.823 92 A HN 0.534 nan 8.150 nan 0.000 0.451 93 T N -0.116 114.449 114.554 0.018 0.000 2.652 93 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 93 T C 1.905 176.612 174.700 0.012 0.000 1.039 93 T CA 1.825 63.932 62.100 0.011 0.000 1.153 93 T CB -0.715 68.155 68.868 0.003 0.000 0.863 93 T HN 0.210 nan 8.240 nan 0.000 0.428 94 V N 1.684 121.605 119.914 0.011 0.000 2.250 94 V HA -0.220 3.900 4.120 -0.000 0.000 0.250 94 V C 2.518 178.620 176.094 0.013 0.000 1.060 94 V CA 1.808 64.114 62.300 0.010 0.000 1.030 94 V CB -0.902 30.926 31.823 0.009 0.000 0.643 94 V HN 0.415 nan 8.190 nan 0.000 0.445 95 L N -0.050 121.183 121.223 0.017 0.000 2.017 95 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 95 L C 2.826 179.708 176.870 0.020 0.000 1.073 95 L CA 1.542 56.394 54.840 0.019 0.000 0.745 95 L CB -0.983 41.090 42.059 0.023 0.000 0.894 95 L HN 0.354 nan 8.230 nan 0.000 0.432 96 A N -0.295 122.539 122.820 0.024 0.000 1.909 96 A HA -0.389 3.931 4.320 -0.000 0.000 0.221 96 A C 2.270 179.864 177.584 0.016 0.000 1.223 96 A CA 2.572 54.622 52.037 0.023 0.000 0.658 96 A CB -0.887 18.126 19.000 0.021 0.000 0.831 96 A HN 0.559 nan 8.150 nan 0.000 0.462 97 Q N -0.906 118.902 119.800 0.013 0.000 1.975 97 Q HA -0.151 4.189 4.340 -0.000 0.000 0.205 97 Q C 2.311 178.317 176.000 0.010 0.000 0.990 97 Q CA 1.977 57.786 55.803 0.010 0.000 0.845 97 Q CB -0.463 28.280 28.738 0.009 0.000 0.913 97 Q HN 0.625 nan 8.270 nan 0.000 0.420 98 A N 1.149 123.975 122.820 0.011 0.000 1.893 98 A HA -0.306 4.014 4.320 -0.000 0.000 0.222 98 A C 2.015 179.605 177.584 0.010 0.000 1.309 98 A CA 2.329 54.372 52.037 0.011 0.000 0.681 98 A CB -1.295 17.712 19.000 0.012 0.000 0.842 98 A HN 0.553 nan 8.150 nan 0.000 0.468 99 I N -0.545 120.032 120.570 0.012 0.000 2.058 99 I HA -0.291 3.879 4.170 -0.000 0.000 0.235 99 I C 2.420 178.543 176.117 0.010 0.000 1.053 99 I CA 1.842 63.149 61.300 0.012 0.000 1.313 99 I CB -0.617 37.392 38.000 0.015 0.000 1.039 99 I HN 0.380 nan 8.210 nan 0.000 0.396 100 I N 0.633 121.210 120.570 0.011 0.000 2.121 100 I HA -0.406 3.764 4.170 -0.000 0.000 0.243 100 I C 2.610 178.730 176.117 0.006 0.000 1.047 100 I CA 2.137 63.442 61.300 0.008 0.000 1.308 100 I CB -1.070 36.935 38.000 0.008 0.000 1.015 100 I HN 0.391 nan 8.210 nan 0.000 0.410 101 T N 0.360 114.918 114.554 0.006 0.000 2.544 101 T HA -0.218 4.132 4.350 -0.000 0.000 0.264 101 T C 1.808 176.510 174.700 0.004 0.000 1.096 101 T CA 1.678 63.781 62.100 0.005 0.000 1.181 101 T CB -0.350 68.521 68.868 0.005 0.000 0.864 101 T HN 0.336 nan 8.240 nan 0.000 0.415 102 E N 0.845 121.049 120.200 0.005 0.000 2.023 102 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 102 E C 2.649 179.251 176.600 0.004 0.000 1.003 102 E CA 1.487 57.890 56.400 0.005 0.000 0.809 102 E CB -1.126 28.577 29.700 0.006 0.000 0.755 102 E HN 0.591 nan 8.360 nan 0.000 0.449 103 G N 0.936 109.739 108.800 0.005 0.000 2.475 103 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 103 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 103 G C 1.520 176.422 174.900 0.004 0.000 1.125 103 G CA 0.534 45.637 45.100 0.005 0.000 0.755 103 G HN 0.157 nan 8.290 nan 0.000 0.565 104 L N -0.112 121.112 121.223 0.003 0.000 2.341 104 L HA 0.247 4.587 4.340 -0.000 0.000 0.214 104 L C 2.586 179.456 176.870 -0.000 0.000 1.115 104 L CA 1.142 55.983 54.840 0.001 0.000 0.820 104 L CB -0.161 41.898 42.059 -0.000 0.000 0.944 104 L HN 0.164 nan 8.230 nan 0.000 0.452 105 K N -1.095 119.305 120.400 0.001 0.000 2.021 105 K HA 0.011 4.331 4.320 -0.000 0.000 0.205 105 K C 2.141 178.742 176.600 0.001 0.000 1.047 105 K CA 1.051 57.339 56.287 0.001 0.000 0.943 105 K CB -0.323 32.178 32.500 0.001 0.000 0.725 105 K HN 0.267 nan 8.250 nan 0.000 0.439 106 A N 1.860 124.681 122.820 0.002 0.000 1.869 106 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 106 A C 2.485 180.070 177.584 0.002 0.000 1.203 106 A CA 2.637 54.675 52.037 0.002 0.000 0.638 106 A CB -1.422 17.580 19.000 0.003 0.000 0.831 106 A HN 0.206 nan 8.150 nan 0.000 0.450 107 V N -2.051 117.865 119.914 0.002 0.000 2.278 107 V HA -0.235 3.885 4.120 -0.000 0.000 0.251 107 V C 2.549 178.643 176.094 0.001 0.000 1.062 107 V CA 2.418 64.720 62.300 0.002 0.000 1.038 107 V CB -1.763 30.061 31.823 0.002 0.000 0.646 107 V HN 0.719 nan 8.190 nan 0.000 0.447 108 A N 0.118 122.939 122.820 0.000 0.000 2.168 108 A HA 0.406 4.726 4.320 -0.000 0.000 0.215 108 A C 2.260 179.843 177.584 -0.001 0.000 1.152 108 A CA 1.505 53.542 52.037 -0.001 0.000 0.716 108 A CB -0.704 18.294 19.000 -0.002 0.000 0.794 108 A HN 1.043 nan 8.150 nan 0.000 0.465 109 A N -2.161 120.659 122.820 0.000 0.000 2.178 109 A HA 0.440 4.760 4.320 -0.000 0.000 0.211 109 A C 1.720 179.304 177.584 0.000 0.000 1.157 109 A CA 1.359 53.396 52.037 0.000 0.000 0.780 109 A CB -0.307 18.693 19.000 0.001 0.000 0.828 109 A HN 1.593 nan 8.150 nan 0.000 0.476 110 G N -1.950 106.851 108.800 0.001 0.000 2.336 110 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.194 110 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.194 110 G C 0.252 175.153 174.900 0.002 0.000 0.999 110 G CA -0.033 45.067 45.100 0.001 0.000 0.669 110 G HN 0.273 nan 8.290 nan 0.000 0.482 111 M N 1.603 121.204 119.600 0.002 0.000 2.248 111 M HA 0.236 4.716 4.480 -0.000 0.000 0.337 111 M C 0.733 177.035 176.300 0.003 0.000 1.121 111 M CA -0.277 55.025 55.300 0.003 0.000 1.155 111 M CB 0.348 32.949 32.600 0.003 0.000 1.514 111 M HN 0.270 nan 8.290 nan 0.000 0.452 112 N N 2.955 121.657 118.700 0.004 0.000 2.475 112 N HA 0.077 4.817 4.740 -0.000 0.000 0.267 112 N C -2.227 173.286 175.510 0.005 0.000 1.169 112 N CA -1.264 51.789 53.050 0.005 0.000 0.947 112 N CB 1.132 39.622 38.487 0.004 0.000 1.061 112 N HN 0.273 nan 8.380 nan 0.000 0.466 113 P HA -0.046 nan 4.420 nan 0.000 0.216 113 P C 1.517 178.821 177.300 0.006 0.000 1.153 113 P CA 0.902 64.005 63.100 0.006 0.000 0.844 113 P CB 0.178 31.882 31.700 0.007 0.000 0.787 114 M N -0.145 119.459 119.600 0.007 0.000 2.106 114 M HA -0.190 4.290 4.480 -0.000 0.000 0.259 114 M C 1.375 177.678 176.300 0.006 0.000 1.068 114 M CA 1.827 57.131 55.300 0.007 0.000 1.100 114 M CB -1.265 31.339 32.600 0.007 0.000 1.351 114 M HN -0.131 nan 8.290 nan 0.000 0.404 115 D N -0.723 119.680 120.400 0.005 0.000 2.103 115 D HA -0.086 4.554 4.640 -0.000 0.000 0.199 115 D C 2.143 178.446 176.300 0.005 0.000 0.978 115 D CA 1.180 55.183 54.000 0.005 0.000 0.829 115 D CB -0.346 40.456 40.800 0.004 0.000 0.981 115 D HN 0.349 nan 8.370 nan 0.000 0.464 116 L N 1.065 122.291 121.223 0.005 0.000 2.021 116 L HA -0.252 4.088 4.340 -0.000 0.000 0.215 116 L C 2.625 179.499 176.870 0.006 0.000 1.074 116 L CA 1.473 56.316 54.840 0.005 0.000 0.760 116 L CB -0.541 41.521 42.059 0.005 0.000 0.889 116 L HN 0.031 nan 8.230 nan 0.000 0.433 117 K N 0.420 120.824 120.400 0.007 0.000 1.991 117 K HA -0.269 4.051 4.320 -0.000 0.000 0.212 117 K C 2.326 178.931 176.600 0.007 0.000 1.049 117 K CA 1.774 58.066 56.287 0.008 0.000 0.932 117 K CB -0.146 32.359 32.500 0.008 0.000 0.717 117 K HN 0.081 nan 8.250 nan 0.000 0.441 118 R N -0.159 120.344 120.500 0.006 0.000 2.115 118 R HA -0.174 4.166 4.340 -0.000 0.000 0.239 118 R C 2.381 178.683 176.300 0.004 0.000 1.133 118 R CA 2.153 58.256 56.100 0.005 0.000 0.935 118 R CB -0.982 29.321 30.300 0.004 0.000 0.853 118 R HN 0.483 nan 8.270 nan 0.000 0.433 119 G N 0.922 109.724 108.800 0.004 0.000 2.513 119 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.219 119 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.219 119 G C 1.469 176.372 174.900 0.004 0.000 1.160 119 G CA 1.419 46.521 45.100 0.004 0.000 0.767 119 G HN 0.341 nan 8.290 nan 0.000 0.571 120 I N 0.879 121.452 120.570 0.005 0.000 2.072 120 I HA -0.158 4.012 4.170 -0.000 0.000 0.235 120 I C 2.468 178.588 176.117 0.005 0.000 1.058 120 I CA 1.498 62.802 61.300 0.006 0.000 1.320 120 I CB -0.435 37.570 38.000 0.008 0.000 1.047 120 I HN 0.093 nan 8.210 nan 0.000 0.397 121 D N 1.031 121.434 120.400 0.005 0.000 2.200 121 D HA -0.294 4.346 4.640 -0.000 0.000 0.192 121 D C 1.967 178.267 176.300 0.000 0.000 1.008 121 D CA 1.658 55.660 54.000 0.002 0.000 0.872 121 D CB -0.372 40.430 40.800 0.003 0.000 0.923 121 D HN 0.373 nan 8.370 nan 0.000 0.447 122 K N 0.796 121.197 120.400 0.001 0.000 1.991 122 K HA -0.167 4.153 4.320 -0.000 0.000 0.212 122 K C 2.215 178.815 176.600 0.000 0.000 1.049 122 K CA 1.550 57.837 56.287 0.000 0.000 0.932 122 K CB -0.186 32.315 32.500 0.001 0.000 0.717 122 K HN 0.040 nan 8.250 nan 0.000 0.441 123 A N 0.781 123.602 122.820 0.002 0.000 1.884 123 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 123 A C 2.290 179.874 177.584 0.001 0.000 1.197 123 A CA 2.289 54.328 52.037 0.002 0.000 0.637 123 A CB -1.047 17.955 19.000 0.004 0.000 0.827 123 A HN 0.224 nan 8.150 nan 0.000 0.450 124 V N -0.451 119.463 119.914 -0.001 0.000 2.220 124 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 124 V C 2.665 178.754 176.094 -0.008 0.000 1.049 124 V CA 2.646 64.943 62.300 -0.005 0.000 1.003 124 V CB -1.647 30.172 31.823 -0.007 0.000 0.634 124 V HN 0.640 nan 8.190 nan 0.000 0.444 125 T N 0.551 115.100 114.554 -0.009 0.000 2.635 125 T HA -0.374 3.976 4.350 -0.000 0.000 0.265 125 T C 1.962 176.657 174.700 -0.008 0.000 1.058 125 T CA 2.450 64.543 62.100 -0.010 0.000 1.162 125 T CB -0.681 68.183 68.868 -0.007 0.000 0.859 125 T HN 0.638 nan 8.240 nan 0.000 0.449 126 A N 1.367 124.185 122.820 -0.004 0.000 1.858 126 A HA 0.162 4.482 4.320 -0.000 0.000 0.216 126 A C 2.719 180.302 177.584 -0.001 0.000 1.190 126 A CA 2.136 54.172 52.037 -0.002 0.000 0.617 126 A CB -1.312 17.688 19.000 0.000 0.000 0.827 126 A HN 0.572 nan 8.150 nan 0.000 0.443 127 A N -0.504 122.316 122.820 -0.001 0.000 1.940 127 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 127 A C 2.209 179.791 177.584 -0.003 0.000 1.176 127 A CA 1.926 53.964 52.037 0.000 0.000 0.631 127 A CB -1.047 17.954 19.000 0.001 0.000 0.814 127 A HN 0.472 nan 8.150 nan 0.000 0.446 128 V N -0.216 119.692 119.914 -0.008 0.000 2.332 128 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 128 V C 2.541 178.629 176.094 -0.009 0.000 1.055 128 V CA 2.426 64.718 62.300 -0.013 0.000 1.038 128 V CB -0.851 30.959 31.823 -0.022 0.000 0.651 128 V HN 0.546 nan 8.190 nan 0.000 0.450 129 E N 0.167 120.364 120.200 -0.006 0.000 2.017 129 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 129 E C 2.319 178.919 176.600 0.000 0.000 0.997 129 E CA 1.208 57.606 56.400 -0.003 0.000 0.804 129 E CB -0.392 29.307 29.700 -0.002 0.000 0.757 129 E HN 0.521 nan 8.360 nan 0.000 0.448 130 E N 0.078 120.280 120.200 0.002 0.000 2.136 130 E HA -0.249 4.101 4.350 -0.000 0.000 0.208 130 E C 2.142 178.746 176.600 0.007 0.000 1.035 130 E CA 0.959 57.362 56.400 0.006 0.000 0.838 130 E CB -0.467 29.238 29.700 0.008 0.000 0.748 130 E HN 0.170 nan 8.360 nan 0.000 0.459 131 L N 1.341 122.566 121.223 0.004 0.000 2.042 131 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 131 L C 2.232 179.105 176.870 0.004 0.000 1.076 131 L CA 1.776 56.618 54.840 0.004 0.000 0.749 131 L CB -0.338 41.720 42.059 -0.001 0.000 0.893 131 L HN 0.062 nan 8.230 nan 0.000 0.432 132 K N -1.158 119.243 120.400 0.002 0.000 2.097 132 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 132 K C 2.071 178.674 176.600 0.006 0.000 1.049 132 K CA 1.297 57.585 56.287 0.002 0.000 0.933 132 K CB -0.380 32.120 32.500 0.000 0.000 0.717 132 K HN 0.389 nan 8.250 nan 0.000 0.442 133 A N 1.815 124.639 122.820 0.007 0.000 1.835 133 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 133 A C 2.155 179.746 177.584 0.013 0.000 1.199 133 A CA 1.215 53.258 52.037 0.009 0.000 0.615 133 A CB -0.805 18.201 19.000 0.010 0.000 0.838 133 A HN 0.232 nan 8.150 nan 0.000 0.444 134 L N 0.694 121.926 121.223 0.015 0.000 2.081 134 L HA -0.076 4.264 4.340 -0.000 0.000 0.212 134 L C 1.589 178.470 176.870 0.018 0.000 1.080 134 L CA 1.731 56.583 54.840 0.019 0.000 0.754 134 L CB -0.962 41.110 42.059 0.021 0.000 0.893 134 L HN 0.357 nan 8.230 nan 0.000 0.433 135 S N -1.143 114.565 115.700 0.014 0.000 2.554 135 S HA 0.092 4.562 4.470 -0.000 0.000 0.290 135 S C -0.141 174.468 174.600 0.014 0.000 1.309 135 S CA -0.333 57.875 58.200 0.013 0.000 1.047 135 S CB 0.138 63.344 63.200 0.010 0.000 0.828 135 S HN 0.118 nan 8.310 nan 0.000 0.509 136 V N 8.001 127.923 119.914 0.014 0.000 2.384 136 V HA 0.379 4.499 4.120 -0.000 0.000 0.287 136 V C -1.981 174.121 176.094 0.013 0.000 1.020 136 V CA -1.770 60.539 62.300 0.015 0.000 0.850 136 V CB 1.251 33.084 31.823 0.017 0.000 0.987 136 V HN 0.798 nan 8.190 nan 0.000 0.436 137 P HA 0.025 nan 4.420 nan 0.000 0.271 137 P C -0.560 176.747 177.300 0.012 0.000 1.228 137 P CA -0.018 63.088 63.100 0.012 0.000 0.797 137 P CB 0.353 32.060 31.700 0.011 0.000 0.914 138 C N 1.438 120.745 119.300 0.012 0.000 3.220 138 C HA 0.481 4.941 4.460 -0.000 0.000 0.352 138 C C 0.909 175.905 174.990 0.011 0.000 1.031 138 C CA 0.292 59.317 59.018 0.012 0.000 1.338 138 C CB -0.826 26.921 27.740 0.013 0.000 1.763 138 C HN 0.636 nan 8.230 nan 0.000 0.548 139 S N 2.603 118.309 115.700 0.010 0.000 3.526 139 S HA 0.210 4.680 4.470 -0.000 0.000 0.222 139 S C 0.202 174.807 174.600 0.008 0.000 1.001 139 S CA 0.704 58.910 58.200 0.010 0.000 0.831 139 S CB -0.212 62.994 63.200 0.010 0.000 0.941 139 S HN 0.929 nan 8.310 nan 0.000 0.585 140 D N 1.956 122.361 120.400 0.008 0.000 2.443 140 D HA 0.105 4.745 4.640 -0.000 0.000 0.234 140 D C 0.740 177.044 176.300 0.006 0.000 1.172 140 D CA 0.394 54.398 54.000 0.007 0.000 0.878 140 D CB 0.284 41.088 40.800 0.006 0.000 1.204 140 D HN 0.151 nan 8.370 nan 0.000 0.453 141 S N 0.458 116.161 115.700 0.005 0.000 2.493 141 S HA -0.204 4.266 4.470 -0.000 0.000 0.243 141 S C 1.478 176.081 174.600 0.005 0.000 0.991 141 S CA 1.185 59.388 58.200 0.004 0.000 0.957 141 S CB -0.282 62.920 63.200 0.003 0.000 0.756 141 S HN 0.657 nan 8.310 nan 0.000 0.521 142 K N 1.759 122.162 120.400 0.005 0.000 1.995 142 K HA 0.040 4.360 4.320 -0.000 0.000 0.207 142 K C 2.372 178.976 176.600 0.006 0.000 1.041 142 K CA 1.042 57.332 56.287 0.005 0.000 0.942 142 K CB -0.483 32.020 32.500 0.006 0.000 0.731 142 K HN 0.230 nan 8.250 nan 0.000 0.439 143 A N 2.001 124.825 122.820 0.007 0.000 1.917 143 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 143 A C 2.092 179.681 177.584 0.008 0.000 1.182 143 A CA 1.686 53.728 52.037 0.008 0.000 0.633 143 A CB -0.667 18.339 19.000 0.009 0.000 0.819 143 A HN 0.373 nan 8.150 nan 0.000 0.448 144 I N -0.120 120.455 120.570 0.008 0.000 2.076 144 I HA -0.260 3.910 4.170 -0.000 0.000 0.237 144 I C 3.004 179.125 176.117 0.006 0.000 1.059 144 I CA 1.657 62.961 61.300 0.007 0.000 1.317 144 I CB -1.812 36.191 38.000 0.006 0.000 1.037 144 I HN 0.364 nan 8.210 nan 0.000 0.398 145 A N 0.032 122.855 122.820 0.005 0.000 1.978 145 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 145 A C 2.216 179.803 177.584 0.005 0.000 1.170 145 A CA 2.000 54.039 52.037 0.004 0.000 0.636 145 A CB -0.675 18.327 19.000 0.003 0.000 0.810 145 A HN 0.522 nan 8.150 nan 0.000 0.448 146 Q N 0.061 119.865 119.800 0.006 0.000 1.858 146 Q HA -0.194 4.146 4.340 -0.000 0.000 0.240 146 Q C 2.021 178.025 176.000 0.007 0.000 1.014 146 Q CA 2.968 58.774 55.803 0.006 0.000 0.884 146 Q CB -1.132 27.610 28.738 0.007 0.000 0.957 146 Q HN 0.581 nan 8.270 nan 0.000 0.419 147 V N 0.506 120.425 119.914 0.008 0.000 2.277 147 V HA -0.296 3.824 4.120 -0.000 0.000 0.253 147 V C 1.889 177.988 176.094 0.010 0.000 1.067 147 V CA 3.146 65.452 62.300 0.010 0.000 1.047 147 V CB -1.501 30.329 31.823 0.013 0.000 0.649 147 V HN 0.631 nan 8.190 nan 0.000 0.447 148 G N -0.250 108.555 108.800 0.009 0.000 2.628 148 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.217 148 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.217 148 G C 1.786 176.691 174.900 0.007 0.000 1.240 148 G CA 2.847 47.952 45.100 0.009 0.000 0.792 148 G HN 0.851 nan 8.290 nan 0.000 0.593 149 T N 0.193 114.750 114.554 0.004 0.000 2.721 149 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 149 T C 2.372 177.073 174.700 0.002 0.000 1.038 149 T CA 1.684 63.786 62.100 0.003 0.000 1.145 149 T CB -0.403 68.466 68.868 0.002 0.000 0.858 149 T HN 0.322 nan 8.240 nan 0.000 0.459 150 I N 1.312 121.884 120.570 0.003 0.000 2.163 150 I HA -0.115 4.055 4.170 -0.000 0.000 0.240 150 I C 3.037 179.154 176.117 0.001 0.000 1.081 150 I CA 1.505 62.805 61.300 0.000 0.000 1.353 150 I CB -0.637 37.363 38.000 0.001 0.000 1.054 150 I HN 0.319 nan 8.210 nan 0.000 0.407 151 S N 0.549 116.253 115.700 0.006 0.000 2.474 151 S HA -0.011 4.459 4.470 -0.000 0.000 0.235 151 S C 1.858 176.464 174.600 0.010 0.000 0.997 151 S CA 1.026 59.232 58.200 0.010 0.000 0.949 151 S CB -0.181 63.030 63.200 0.019 0.000 0.766 151 S HN 0.446 nan 8.310 nan 0.000 0.517 152 A N 1.128 123.953 122.820 0.007 0.000 2.251 152 A HA 0.322 4.642 4.320 -0.000 0.000 0.209 152 A C 0.639 178.224 177.584 0.002 0.000 1.187 152 A CA 0.254 52.295 52.037 0.006 0.000 0.823 152 A CB -0.810 18.192 19.000 0.005 0.000 0.846 152 A HN 0.801 nan 8.150 nan 0.000 0.486 153 N N -0.577 118.122 118.700 -0.001 0.000 2.681 153 N HA -0.228 4.512 4.740 -0.000 0.000 0.265 153 N C 0.409 175.916 175.510 -0.005 0.000 1.157 153 N CA 0.273 53.321 53.050 -0.005 0.000 0.674 153 N CB -1.081 37.403 38.487 -0.005 0.000 0.887 153 N HN 0.348 nan 8.380 nan 0.000 0.557 154 S N -1.096 114.601 115.700 -0.005 0.000 2.194 154 S HA -0.297 4.173 4.470 -0.000 0.000 0.225 154 S C 0.110 174.709 174.600 -0.002 0.000 1.176 154 S CA 1.539 59.737 58.200 -0.004 0.000 1.694 154 S CB -0.923 62.273 63.200 -0.006 0.000 2.249 154 S HN 0.857 nan 8.310 nan 0.000 0.601 155 D N 2.631 123.029 120.400 -0.002 0.000 2.433 155 D HA 0.019 4.659 4.640 -0.000 0.000 0.274 155 D C 1.070 177.369 176.300 -0.001 0.000 1.344 155 D CA 0.563 54.563 54.000 -0.001 0.000 0.989 155 D CB 0.253 41.052 40.800 -0.001 0.000 1.116 155 D HN 0.608 nan 8.370 nan 0.000 0.533 156 E N 1.357 121.556 120.200 -0.001 0.000 2.077 156 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 156 E C 2.025 178.625 176.600 -0.000 0.000 0.989 156 E CA 1.668 58.068 56.400 -0.000 0.000 0.800 156 E CB -0.036 29.664 29.700 0.000 0.000 0.746 156 E HN 0.692 nan 8.360 nan 0.000 0.452 157 T N -0.418 114.135 114.554 -0.001 0.000 2.685 157 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 157 T C 2.062 176.761 174.700 -0.002 0.000 1.034 157 T CA 1.625 63.724 62.100 -0.002 0.000 1.149 157 T CB -0.778 68.088 68.868 -0.002 0.000 0.860 157 T HN -0.032 nan 8.240 nan 0.000 0.449 158 V N 2.371 122.284 119.914 -0.002 0.000 2.216 158 V HA -0.004 4.116 4.120 -0.000 0.000 0.243 158 V C 3.199 179.292 176.094 -0.001 0.000 1.044 158 V CA 1.986 64.285 62.300 -0.002 0.000 0.995 158 V CB -1.700 30.123 31.823 -0.000 0.000 0.633 158 V HN 0.653 nan 8.190 nan 0.000 0.446 159 G N -0.199 108.602 108.800 0.000 0.000 2.545 159 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.222 159 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.222 159 G C 1.567 176.467 174.900 -0.000 0.000 1.126 159 G CA 1.588 46.689 45.100 0.001 0.000 0.754 159 G HN 0.552 nan 8.290 nan 0.000 0.583 160 K N -0.195 120.205 120.400 -0.001 0.000 1.980 160 K HA -0.162 4.158 4.320 -0.000 0.000 0.223 160 K C 2.520 179.118 176.600 -0.002 0.000 1.052 160 K CA 1.760 58.046 56.287 -0.001 0.000 0.974 160 K CB -0.442 32.057 32.500 -0.001 0.000 0.734 160 K HN 0.174 nan 8.250 nan 0.000 0.447 161 L N 1.465 122.686 121.223 -0.004 0.000 2.064 161 L HA -0.257 4.083 4.340 -0.000 0.000 0.216 161 L C 2.372 179.238 176.870 -0.006 0.000 1.077 161 L CA 1.784 56.621 54.840 -0.005 0.000 0.766 161 L CB -0.656 41.398 42.059 -0.007 0.000 0.890 161 L HN 0.380 nan 8.230 nan 0.000 0.435 162 I N -0.867 119.700 120.570 -0.006 0.000 2.151 162 I HA -0.371 3.799 4.170 -0.000 0.000 0.243 162 I C 2.652 178.766 176.117 -0.005 0.000 1.080 162 I CA 1.435 62.730 61.300 -0.008 0.000 1.339 162 I CB -0.762 37.235 38.000 -0.006 0.000 1.039 162 I HN 0.294 nan 8.210 nan 0.000 0.409 163 A N 0.677 123.495 122.820 -0.002 0.000 1.877 163 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 163 A C 2.218 179.801 177.584 -0.002 0.000 1.186 163 A CA 1.790 53.827 52.037 -0.001 0.000 0.620 163 A CB -0.668 18.332 19.000 0.001 0.000 0.822 163 A HN 0.477 nan 8.150 nan 0.000 0.443 164 E N -0.005 120.193 120.200 -0.003 0.000 2.049 164 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 164 E C 2.357 178.954 176.600 -0.004 0.000 1.007 164 E CA 1.067 57.465 56.400 -0.003 0.000 0.809 164 E CB -0.461 29.236 29.700 -0.004 0.000 0.749 164 E HN 0.603 nan 8.360 nan 0.000 0.450 165 A N 1.893 124.710 122.820 -0.006 0.000 1.859 165 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 165 A C 2.289 179.870 177.584 -0.006 0.000 1.242 165 A CA 2.501 54.533 52.037 -0.008 0.000 0.661 165 A CB -0.951 18.042 19.000 -0.011 0.000 0.842 165 A HN 0.201 nan 8.150 nan 0.000 0.455 166 M N -1.161 118.436 119.600 -0.005 0.000 2.255 166 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 166 M C 1.676 177.975 176.300 -0.001 0.000 1.071 166 M CA 2.004 57.302 55.300 -0.003 0.000 1.074 166 M CB -0.718 31.882 32.600 -0.001 0.000 1.384 166 M HN 0.568 nan 8.290 nan 0.000 0.415 167 D N 0.321 120.720 120.400 -0.001 0.000 2.312 167 D HA -0.087 4.553 4.640 -0.000 0.000 0.211 167 D C 1.902 178.202 176.300 -0.001 0.000 0.964 167 D CA 0.915 54.915 54.000 -0.000 0.000 0.877 167 D CB 0.358 41.158 40.800 -0.000 0.000 0.924 167 D HN 0.123 nan 8.370 nan 0.000 0.515 168 K N -0.297 120.102 120.400 -0.002 0.000 2.118 168 K HA 0.088 4.407 4.320 -0.000 0.000 0.214 168 K C 1.593 178.192 176.600 -0.003 0.000 1.023 168 K CA 0.327 56.613 56.287 -0.003 0.000 0.948 168 K CB -1.011 31.486 32.500 -0.004 0.000 0.851 168 K HN -0.003 nan 8.250 nan 0.000 0.455 169 V N 1.018 120.930 119.914 -0.003 0.000 3.630 169 V HA 0.137 4.257 4.120 -0.000 0.000 0.273 169 V C 0.341 176.434 176.094 -0.001 0.000 1.248 169 V CA 1.078 63.377 62.300 -0.003 0.000 1.170 169 V CB -0.948 30.873 31.823 -0.003 0.000 0.899 169 V HN 0.662 nan 8.190 nan 0.000 0.457 170 G N 0.368 109.168 108.800 -0.000 0.000 2.710 170 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.668 170 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.668 170 G C 0.201 175.102 174.900 0.003 0.000 1.320 170 G CA 0.088 45.189 45.100 0.002 0.000 0.860 170 G HN 0.311 nan 8.290 nan 0.000 0.538 171 K N -0.052 120.351 120.400 0.006 0.000 2.155 171 K HA 0.001 4.321 4.320 -0.000 0.000 0.203 171 K C 1.902 178.507 176.600 0.008 0.000 1.052 171 K CA 1.744 58.035 56.287 0.007 0.000 0.948 171 K CB 0.025 32.531 32.500 0.010 0.000 0.728 171 K HN 0.394 nan 8.250 nan 0.000 0.448 172 E N 0.250 120.456 120.200 0.010 0.000 2.479 172 E HA 0.067 4.417 4.350 -0.000 0.000 0.193 172 E C 0.559 177.165 176.600 0.010 0.000 1.049 172 E CA -0.070 56.338 56.400 0.013 0.000 0.870 172 E CB 0.270 29.980 29.700 0.018 0.000 0.944 172 E HN 0.286 nan 8.360 nan 0.000 0.492 173 G N 0.157 108.960 108.800 0.005 0.000 2.732 173 G HA2 0.150 4.110 3.960 -0.000 0.000 0.244 173 G HA3 0.150 4.110 3.960 -0.000 0.000 0.244 173 G C -0.184 174.717 174.900 0.001 0.000 1.226 173 G CA -0.442 44.659 45.100 0.002 0.000 0.860 173 G HN 0.048 nan 8.290 nan 0.000 0.583 174 V N 1.483 121.397 119.914 0.001 0.000 2.350 174 V HA 0.317 4.437 4.120 -0.000 0.000 0.276 174 V C -0.194 175.893 176.094 -0.012 0.000 1.028 174 V CA -0.358 61.940 62.300 -0.003 0.000 0.860 174 V CB 0.759 32.587 31.823 0.007 0.000 0.990 174 V HN 0.447 nan 8.190 nan 0.000 0.453 175 I N 4.845 125.401 120.570 -0.023 0.000 2.493 175 I HA 0.745 4.915 4.170 -0.000 0.000 0.298 175 I C 0.488 176.581 176.117 -0.040 0.000 0.998 175 I CA 0.088 61.370 61.300 -0.029 0.000 1.137 175 I CB 2.240 40.220 38.000 -0.033 0.000 1.310 175 I HN 0.790 nan 8.210 nan 0.000 0.445 176 T N 1.698 116.231 114.554 -0.036 0.000 2.838 176 T HA 0.908 5.258 4.350 -0.000 0.000 0.292 176 T C -0.942 173.737 174.700 -0.035 0.000 1.113 176 T CA -0.793 61.283 62.100 -0.040 0.000 1.008 176 T CB 1.629 70.475 68.868 -0.035 0.000 1.259 176 T HN 0.251 nan 8.240 nan 0.000 0.520 177 V N 0.786 120.680 119.914 -0.034 0.000 2.760 177 V HA 0.668 4.788 4.120 -0.000 0.000 0.309 177 V C -0.950 175.130 176.094 -0.024 0.000 1.077 177 V CA -0.833 61.451 62.300 -0.028 0.000 0.910 177 V CB 1.817 33.623 31.823 -0.028 0.000 1.008 177 V HN 1.053 nan 8.190 nan 0.000 0.424 178 E N 1.448 121.636 120.200 -0.020 0.000 2.314 178 E HA 0.440 4.790 4.350 -0.000 0.000 0.272 178 E C -1.732 174.859 176.600 -0.015 0.000 0.884 178 E CA -1.041 55.348 56.400 -0.018 0.000 0.753 178 E CB 2.254 31.943 29.700 -0.019 0.000 1.213 178 E HN 0.696 nan 8.360 nan 0.000 0.432 179 D N 1.246 121.638 120.400 -0.014 0.000 2.506 179 D HA 0.179 4.819 4.640 -0.000 0.000 0.234 179 D C 0.370 176.663 176.300 -0.012 0.000 1.143 179 D CA 0.646 54.639 54.000 -0.012 0.000 0.871 179 D CB 0.540 41.333 40.800 -0.012 0.000 1.190 179 D HN 0.470 nan 8.370 nan 0.000 0.459 180 G N -0.019 108.775 108.800 -0.010 0.000 2.527 180 G HA2 0.289 4.249 3.960 -0.000 0.000 0.248 180 G HA3 0.289 4.249 3.960 -0.000 0.000 0.248 180 G C 1.148 176.042 174.900 -0.010 0.000 1.231 180 G CA -0.189 44.905 45.100 -0.010 0.000 0.838 180 G HN 0.533 nan 8.290 nan 0.000 0.570 181 T N -0.671 113.878 114.554 -0.009 0.000 2.978 181 T HA 0.263 4.613 4.350 -0.000 0.000 0.262 181 T C 1.385 176.081 174.700 -0.008 0.000 1.063 181 T CA 1.118 63.213 62.100 -0.009 0.000 1.140 181 T CB 0.055 68.918 68.868 -0.009 0.000 0.886 181 T HN 0.738 nan 8.240 nan 0.000 0.470 182 G N 0.722 109.518 108.800 -0.007 0.000 3.286 182 G HA2 0.522 4.482 3.960 -0.000 0.000 0.166 182 G HA3 0.522 4.482 3.960 -0.000 0.000 0.166 182 G C 0.189 175.085 174.900 -0.006 0.000 1.155 182 G CA -0.079 45.017 45.100 -0.007 0.000 0.871 182 G HN 0.252 nan 8.290 nan 0.000 0.637 183 L N -0.738 120.481 121.223 -0.006 0.000 2.513 183 L HA 0.420 4.760 4.340 -0.000 0.000 0.222 183 L C 0.662 177.529 176.870 -0.005 0.000 1.096 183 L CA 0.452 55.289 54.840 -0.005 0.000 0.857 183 L CB -0.193 41.864 42.059 -0.004 0.000 1.026 183 L HN 0.181 nan 8.230 nan 0.000 0.469 184 Q N 1.143 120.940 119.800 -0.005 0.000 2.259 184 Q HA 0.195 4.535 4.340 -0.000 0.000 0.246 184 Q C -0.794 175.203 176.000 -0.006 0.000 0.920 184 Q CA -0.280 55.520 55.803 -0.005 0.000 0.895 184 Q CB 1.114 29.849 28.738 -0.005 0.000 1.220 184 Q HN 0.214 nan 8.270 nan 0.000 0.439 185 D N 1.620 122.016 120.400 -0.006 0.000 2.339 185 D HA 0.225 4.865 4.640 -0.000 0.000 0.245 185 D C -0.376 175.920 176.300 -0.007 0.000 1.115 185 D CA 0.178 54.174 54.000 -0.007 0.000 0.917 185 D CB 0.836 41.632 40.800 -0.006 0.000 1.192 185 D HN 0.282 nan 8.370 nan 0.000 0.428 186 E N 0.502 120.697 120.200 -0.008 0.000 2.290 186 E HA 0.431 4.781 4.350 -0.000 0.000 0.274 186 E C -0.986 175.609 176.600 -0.009 0.000 0.889 186 E CA -0.638 55.757 56.400 -0.008 0.000 0.760 186 E CB 2.505 32.200 29.700 -0.008 0.000 1.206 186 E HN 0.196 nan 8.360 nan 0.000 0.419 187 L N 3.498 124.716 121.223 -0.008 0.000 2.343 187 L HA 0.524 4.864 4.340 -0.000 0.000 0.278 187 L C -1.570 175.296 176.870 -0.008 0.000 0.996 187 L CA -0.419 54.416 54.840 -0.009 0.000 0.831 187 L CB 0.856 42.910 42.059 -0.008 0.000 1.232 187 L HN 0.544 nan 8.230 nan 0.000 0.413 188 D N 4.222 124.617 120.400 -0.009 0.000 2.732 188 D HA 0.423 5.063 4.640 -0.000 0.000 0.229 188 D C -0.921 175.374 176.300 -0.008 0.000 1.152 188 D CA -0.170 53.825 54.000 -0.008 0.000 0.854 188 D CB 3.018 43.813 40.800 -0.008 0.000 1.590 188 D HN 0.326 nan 8.370 nan 0.000 0.468 189 V N -0.776 119.134 119.914 -0.007 0.000 2.417 189 V HA 0.790 4.910 4.120 -0.000 0.000 0.291 189 V C -0.256 175.834 176.094 -0.006 0.000 1.024 189 V CA -0.607 61.689 62.300 -0.006 0.000 0.861 189 V CB 1.467 33.287 31.823 -0.005 0.000 0.985 189 V HN 0.316 nan 8.190 nan 0.000 0.436 190 V N 3.407 123.318 119.914 -0.005 0.000 2.925 190 V HA 0.524 4.644 4.120 -0.000 0.000 0.311 190 V C 1.111 177.203 176.094 -0.002 0.000 1.104 190 V CA -0.352 61.945 62.300 -0.004 0.000 0.954 190 V CB 2.420 34.240 31.823 -0.006 0.000 1.022 190 V HN 0.948 nan 8.190 nan 0.000 0.427 191 E N 2.851 123.051 120.200 -0.001 0.000 2.284 191 E HA -0.092 4.258 4.350 -0.000 0.000 0.200 191 E C 1.269 177.872 176.600 0.006 0.000 1.008 191 E CA 1.052 57.453 56.400 0.002 0.000 0.829 191 E CB -0.577 29.124 29.700 0.002 0.000 0.744 191 E HN 0.942 nan 8.360 nan 0.000 0.491 192 G N 1.154 109.950 108.800 -0.007 0.000 3.273 192 G HA2 0.016 3.976 3.960 -0.000 0.000 0.516 192 G HA3 0.016 3.976 3.960 -0.000 0.000 0.516 192 G C 0.260 175.159 174.900 -0.001 0.000 1.281 192 G CA 0.627 45.721 45.100 -0.009 0.000 1.201 192 G HN 0.264 nan 8.290 nan 0.000 0.743 193 M N -1.957 117.639 119.600 -0.008 0.000 2.949 193 M HA 0.542 5.022 4.480 -0.000 0.000 0.270 193 M C -1.624 174.651 176.300 -0.042 0.000 1.221 193 M CA -0.758 54.546 55.300 0.007 0.000 0.818 193 M CB 1.884 34.519 32.600 0.058 0.000 1.635 193 M HN 0.782 nan 8.290 nan 0.000 0.492 194 Q N 1.710 121.492 119.800 -0.030 0.000 2.578 194 Q HA 0.657 4.997 4.340 -0.000 0.000 0.284 194 Q C -2.328 173.658 176.000 -0.022 0.000 0.960 194 Q CA -0.637 55.075 55.803 -0.152 0.000 0.809 194 Q CB 2.714 31.386 28.738 -0.109 0.000 1.462 194 Q HN 0.662 nan 8.270 nan 0.000 0.392 195 F N -0.785 119.173 119.950 0.013 0.000 2.688 195 F HA 0.430 4.957 4.527 -0.000 0.000 0.308 195 F C -1.549 174.262 175.800 0.018 0.000 1.117 195 F CA -1.301 56.709 58.000 0.017 0.000 0.976 195 F CB 0.716 39.728 39.000 0.020 0.000 1.291 195 F HN 0.299 nan 8.300 nan 0.000 0.439 196 D N 2.775 123.364 120.400 0.316 0.000 2.367 196 D HA 0.426 5.066 4.640 -0.000 0.000 0.255 196 D C -0.417 176.041 176.300 0.264 0.000 1.300 196 D CA 0.609 54.732 54.000 0.205 0.000 0.959 196 D CB 0.299 41.176 40.800 0.128 0.000 1.064 196 D HN 0.579 nan 8.370 nan 0.000 0.509 197 R N 0.861 121.514 120.500 0.255 0.000 2.725 197 R HA 0.481 4.821 4.340 -0.000 0.000 0.276 197 R C -0.262 176.109 176.300 0.118 0.000 1.189 197 R CA -0.475 55.764 56.100 0.231 0.000 1.083 197 R CB 1.228 31.790 30.300 0.437 0.000 1.262 197 R HN 0.381 nan 8.270 nan 0.000 0.415 198 G N 1.726 110.518 108.800 -0.013 0.000 2.488 198 G HA2 0.392 4.352 3.960 -0.000 0.000 0.318 198 G HA3 0.392 4.352 3.960 -0.000 0.000 0.318 198 G C -0.711 174.118 174.900 -0.117 0.000 1.188 198 G CA -0.563 44.432 45.100 -0.175 0.000 0.944 198 G HN 0.513 nan 8.290 nan 0.000 0.495 199 Y N -1.136 119.241 120.300 0.129 0.000 2.652 199 Y HA 0.297 4.847 4.550 -0.000 0.000 0.344 199 Y C 0.549 176.511 175.900 0.104 0.000 1.254 199 Y CA -1.152 57.058 58.100 0.183 0.000 1.480 199 Y CB 0.237 38.836 38.460 0.232 0.000 1.345 199 Y HN 0.099 nan 8.280 nan 0.000 0.617 200 L N 2.278 123.719 121.223 0.364 0.000 2.783 200 L HA 0.333 4.673 4.340 -0.000 0.000 0.236 200 L C 0.173 177.052 176.870 0.015 0.000 1.225 200 L CA 0.333 55.277 54.840 0.174 0.000 1.026 200 L CB -0.902 41.240 42.059 0.138 0.000 1.314 200 L HN 0.732 nan 8.230 nan 0.000 0.489 201 S N -1.555 114.162 115.700 0.029 0.000 2.546 201 S HA 0.310 4.780 4.470 -0.000 0.000 0.303 201 S C -2.371 171.880 174.600 -0.582 0.000 1.067 201 S CA -0.560 57.405 58.200 -0.392 0.000 0.944 201 S CB 1.178 63.736 63.200 -1.069 0.000 1.155 201 S HN -0.111 nan 8.310 nan 0.000 0.449 202 P HA -0.054 nan 4.420 nan 0.000 0.216 202 P C 0.591 177.656 177.300 -0.390 0.000 1.150 202 P CA 0.999 63.749 63.100 -0.582 0.000 0.837 202 P CB -0.072 31.507 31.700 -0.202 0.000 0.786 203 Y N -2.551 117.544 120.300 -0.341 0.000 2.736 203 Y HA -0.114 4.436 4.550 -0.000 0.000 0.298 203 Y C 1.659 177.557 175.900 -0.004 0.000 1.156 203 Y CA 0.582 58.579 58.100 -0.172 0.000 1.384 203 Y CB -1.169 37.207 38.460 -0.140 0.000 0.976 203 Y HN -0.004 nan 8.280 nan 0.000 0.556 204 F N -0.789 119.105 119.950 -0.093 0.000 2.446 204 F HA 0.148 4.675 4.527 -0.000 0.000 0.292 204 F C 1.218 176.947 175.800 -0.117 0.000 1.096 204 F CA -0.961 56.989 58.000 -0.084 0.000 1.438 204 F CB -0.707 38.247 39.000 -0.078 0.000 1.107 204 F HN -0.192 nan 8.300 nan 0.000 0.546 205 I N 3.055 123.606 120.570 -0.033 0.000 2.996 205 I HA -0.233 3.937 4.170 -0.000 0.000 0.311 205 I C 1.176 177.286 176.117 -0.011 0.000 1.219 205 I CA 0.713 61.980 61.300 -0.055 0.000 1.452 205 I CB 0.241 38.163 38.000 -0.129 0.000 1.319 205 I HN 0.260 nan 8.210 nan 0.000 0.564 206 N N 4.624 123.324 118.700 -0.001 0.000 2.159 206 N HA 0.037 4.777 4.740 -0.000 0.000 0.217 206 N C -0.241 175.264 175.510 -0.009 0.000 1.223 206 N CA -0.181 52.867 53.050 -0.002 0.000 0.896 206 N CB 0.707 39.195 38.487 0.002 0.000 1.064 206 N HN 0.400 nan 8.380 nan 0.000 0.518 207 K N 2.091 122.486 120.400 -0.008 0.000 2.679 207 K HA 0.324 4.644 4.320 -0.000 0.000 0.188 207 K C -1.843 174.751 176.600 -0.011 0.000 1.055 207 K CA -1.794 54.489 56.287 -0.007 0.000 1.006 207 K CB 2.184 34.685 32.500 0.003 0.000 1.317 207 K HN -0.017 nan 8.250 nan 0.000 0.584 208 P HA -0.240 nan 4.420 nan 0.000 0.212 208 P C 0.850 178.140 177.300 -0.017 0.000 1.174 208 P CA 1.398 64.481 63.100 -0.029 0.000 0.934 208 P CB 0.395 32.076 31.700 -0.032 0.000 0.791 209 E N -0.936 119.258 120.200 -0.011 0.000 2.455 209 E HA -0.088 4.262 4.350 -0.000 0.000 0.202 209 E C 1.518 178.118 176.600 0.001 0.000 1.045 209 E CA 1.133 57.530 56.400 -0.005 0.000 0.872 209 E CB -0.550 29.148 29.700 -0.004 0.000 0.792 209 E HN 0.392 nan 8.360 nan 0.000 0.542 210 T N -1.704 112.853 114.554 0.005 0.000 2.969 210 T HA 0.202 4.552 4.350 -0.000 0.000 0.250 210 T C 1.185 175.903 174.700 0.031 0.000 1.021 210 T CA 0.426 62.536 62.100 0.017 0.000 1.003 210 T CB 0.789 69.668 68.868 0.018 0.000 1.040 210 T HN 0.263 nan 8.240 nan 0.000 0.492 211 G N 1.984 110.797 108.800 0.022 0.000 2.249 211 G HA2 0.004 3.964 3.960 -0.000 0.000 0.273 211 G HA3 0.004 3.964 3.960 -0.000 0.000 0.273 211 G C 0.087 175.043 174.900 0.093 0.000 1.036 211 G CA 0.185 45.309 45.100 0.040 0.000 0.824 211 G HN 0.938 nan 8.290 nan 0.000 0.504 212 A N -1.362 121.497 122.820 0.065 0.000 2.430 212 A HA 0.897 5.217 4.320 -0.000 0.000 0.300 212 A C -0.346 177.277 177.584 0.065 0.000 1.124 212 A CA -0.339 51.753 52.037 0.092 0.000 0.766 212 A CB 2.177 21.217 19.000 0.067 0.000 1.328 212 A HN 1.181 nan 8.150 nan 0.000 0.424 213 V N 1.980 121.946 119.914 0.088 0.000 2.284 213 V HA 0.280 4.400 4.120 -0.000 0.000 0.274 213 V C -0.398 175.717 176.094 0.035 0.000 1.023 213 V CA -0.308 62.029 62.300 0.062 0.000 0.808 213 V CB 0.609 32.492 31.823 0.099 0.000 1.035 213 V HN 0.889 nan 8.190 nan 0.000 0.445 214 E N 5.326 125.535 120.200 0.015 0.000 2.200 214 E HA 0.597 4.947 4.350 -0.000 0.000 0.283 214 E C -1.034 175.561 176.600 -0.008 0.000 1.015 214 E CA -0.397 56.003 56.400 0.001 0.000 0.819 214 E CB 1.813 31.511 29.700 -0.003 0.000 1.081 214 E HN 0.521 nan 8.360 nan 0.000 0.397 215 L N 2.806 124.020 121.223 -0.015 0.000 2.362 215 L HA 0.319 4.659 4.340 -0.000 0.000 0.275 215 L C -0.032 176.821 176.870 -0.028 0.000 0.998 215 L CA -1.050 53.777 54.840 -0.021 0.000 0.820 215 L CB 1.684 43.730 42.059 -0.022 0.000 1.270 215 L HN 0.352 nan 8.230 nan 0.000 0.415 216 E N 2.218 122.400 120.200 -0.029 0.000 2.003 216 E HA 0.073 4.423 4.350 -0.000 0.000 0.279 216 E C 0.505 177.069 176.600 -0.060 0.000 1.132 216 E CA -0.006 56.371 56.400 -0.038 0.000 0.888 216 E CB 0.869 30.551 29.700 -0.031 0.000 1.056 216 E HN 0.691 nan 8.360 nan 0.000 0.399 217 S N 1.738 117.392 115.700 -0.076 0.000 3.348 217 S HA -0.181 4.289 4.470 -0.000 0.000 0.366 217 S C -2.246 172.244 174.600 -0.183 0.000 0.953 217 S CA -0.005 58.122 58.200 -0.121 0.000 1.255 217 S CB -1.755 61.369 63.200 -0.128 0.000 0.906 217 S HN 0.256 nan 8.310 nan 0.000 0.495 218 P HA 0.585 nan 4.420 nan 0.000 0.279 218 P C 0.369 177.571 177.300 -0.164 0.000 1.282 218 P CA -0.760 62.288 63.100 -0.088 0.000 0.788 218 P CB 0.312 32.017 31.700 0.008 0.000 1.139 219 F N -0.708 119.234 119.950 -0.012 0.000 2.368 219 F HA 0.444 4.971 4.527 -0.000 0.000 0.315 219 F C 0.749 176.547 175.800 -0.002 0.000 1.145 219 F CA 0.029 58.025 58.000 -0.006 0.000 1.095 219 F CB 0.154 39.150 39.000 -0.006 0.000 1.286 219 F HN -0.008 nan 8.300 nan 0.000 0.530 220 I N 2.311 123.001 120.570 0.200 0.000 2.647 220 I HA 0.316 4.486 4.170 -0.000 0.000 0.295 220 I C -1.341 174.842 176.117 0.109 0.000 1.078 220 I CA -0.904 60.468 61.300 0.120 0.000 1.048 220 I CB 2.151 40.201 38.000 0.083 0.000 1.239 220 I HN 0.237 nan 8.210 nan 0.000 0.421 221 L N 6.554 127.827 121.223 0.084 0.000 2.334 221 L HA 0.587 4.927 4.340 -0.000 0.000 0.276 221 L C -1.156 175.749 176.870 0.059 0.000 1.014 221 L CA -0.580 54.299 54.840 0.064 0.000 0.815 221 L CB 1.787 43.876 42.059 0.050 0.000 1.268 221 L HN 0.618 nan 8.230 nan 0.000 0.428 222 L N 5.543 126.793 121.223 0.046 0.000 2.556 222 L HA 0.411 4.751 4.340 -0.000 0.000 0.243 222 L C 0.588 177.473 176.870 0.024 0.000 1.331 222 L CA -0.354 54.507 54.840 0.036 0.000 0.927 222 L CB 1.031 43.110 42.059 0.034 0.000 1.219 222 L HN 0.719 nan 8.230 nan 0.000 0.490 223 A N 0.197 123.032 122.820 0.025 0.000 2.281 223 A HA 0.208 4.528 4.320 -0.000 0.000 0.271 223 A C 0.492 178.083 177.584 0.012 0.000 1.196 223 A CA 0.412 52.460 52.037 0.018 0.000 0.807 223 A CB 0.381 19.394 19.000 0.022 0.000 1.138 223 A HN 0.604 nan 8.150 nan 0.000 0.506 224 D N -2.570 117.836 120.400 0.010 0.000 2.530 224 D HA 0.161 4.801 4.640 -0.000 0.000 0.253 224 D C 0.067 176.372 176.300 0.008 0.000 1.338 224 D CA 0.093 54.096 54.000 0.006 0.000 0.806 224 D CB 0.017 40.819 40.800 0.003 0.000 1.160 224 D HN 0.642 nan 8.370 nan 0.000 0.514 225 K N -0.897 119.511 120.400 0.012 0.000 2.263 225 K HA 0.654 4.974 4.320 -0.000 0.000 0.249 225 K C -0.898 175.713 176.600 0.019 0.000 1.076 225 K CA -1.050 55.245 56.287 0.014 0.000 0.884 225 K CB 1.173 33.680 32.500 0.013 0.000 1.394 225 K HN -0.326 nan 8.250 nan 0.000 0.476 226 K N 0.749 121.160 120.400 0.019 0.000 2.174 226 K HA 0.356 4.676 4.320 -0.000 0.000 0.275 226 K C -0.553 176.061 176.600 0.023 0.000 1.015 226 K CA -0.441 55.860 56.287 0.023 0.000 0.933 226 K CB 0.645 33.157 32.500 0.021 0.000 1.025 226 K HN 0.441 nan 8.250 nan 0.000 0.463 227 I N 2.866 123.453 120.570 0.029 0.000 2.354 227 I HA 0.114 4.284 4.170 -0.000 0.000 0.286 227 I C 0.822 176.956 176.117 0.028 0.000 1.007 227 I CA -0.103 61.214 61.300 0.028 0.000 1.167 227 I CB 0.647 38.667 38.000 0.034 0.000 1.320 227 I HN 0.771 nan 8.210 nan 0.000 0.458 228 S N 4.515 120.228 115.700 0.021 0.000 2.517 228 S HA 0.123 4.593 4.470 -0.000 0.000 0.228 228 S C 0.799 175.409 174.600 0.015 0.000 1.060 228 S CA -0.054 58.157 58.200 0.018 0.000 0.937 228 S CB 0.150 63.358 63.200 0.013 0.000 0.840 228 S HN 0.610 nan 8.310 nan 0.000 0.546 229 N N 1.059 119.767 118.700 0.013 0.000 2.499 229 N HA 0.271 5.011 4.740 -0.000 0.000 0.281 229 N C 0.440 175.957 175.510 0.011 0.000 1.098 229 N CA -0.214 52.842 53.050 0.010 0.000 0.979 229 N CB 1.071 39.562 38.487 0.007 0.000 1.121 229 N HN 0.166 nan 8.380 nan 0.000 0.466 230 I N 3.258 123.834 120.570 0.010 0.000 2.493 230 I HA -0.109 4.061 4.170 -0.000 0.000 0.254 230 I C 2.424 178.544 176.117 0.005 0.000 1.160 230 I CA 0.498 61.805 61.300 0.010 0.000 1.445 230 I CB -0.591 37.415 38.000 0.010 0.000 1.086 230 I HN 0.617 nan 8.210 nan 0.000 0.433 231 R N 1.623 122.125 120.500 0.003 0.000 2.222 231 R HA -0.359 3.981 4.340 -0.000 0.000 0.235 231 R C 2.160 178.459 176.300 -0.002 0.000 1.112 231 R CA 2.787 58.887 56.100 0.000 0.000 0.897 231 R CB -0.439 29.861 30.300 0.000 0.000 0.882 231 R HN 0.318 nan 8.270 nan 0.000 0.429 232 E N -0.036 120.165 120.200 0.000 0.000 2.233 232 E HA -0.278 4.072 4.350 -0.000 0.000 0.210 232 E C 1.876 178.473 176.600 -0.005 0.000 1.046 232 E CA 2.390 58.789 56.400 -0.001 0.000 0.844 232 E CB -0.314 29.387 29.700 0.003 0.000 0.741 232 E HN 0.369 nan 8.360 nan 0.000 0.465 233 M N -0.318 119.279 119.600 -0.004 0.000 2.099 233 M HA -0.017 4.463 4.480 -0.000 0.000 0.262 233 M C 1.965 178.254 176.300 -0.019 0.000 1.067 233 M CA 1.187 56.480 55.300 -0.010 0.000 1.124 233 M CB -0.610 31.987 32.600 -0.005 0.000 1.353 233 M HN 0.071 nan 8.290 nan 0.000 0.410 234 L N 0.013 121.226 121.223 -0.015 0.000 2.166 234 L HA -0.329 4.011 4.340 -0.000 0.000 0.228 234 L C -0.425 176.428 176.870 -0.028 0.000 1.101 234 L CA 2.041 56.869 54.840 -0.019 0.000 0.821 234 L CB -2.847 39.204 42.059 -0.014 0.000 0.908 234 L HN 0.258 nan 8.230 nan 0.000 0.447 235 P HA -0.162 nan 4.420 nan 0.000 0.210 235 P C 1.829 179.098 177.300 -0.052 0.000 1.189 235 P CA 2.521 65.600 63.100 -0.035 0.000 0.920 235 P CB -0.317 31.366 31.700 -0.028 0.000 0.782 236 V N -1.723 118.157 119.914 -0.057 0.000 2.295 236 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 236 V C 2.696 178.731 176.094 -0.099 0.000 1.049 236 V CA 1.729 63.977 62.300 -0.086 0.000 1.024 236 V CB -2.227 29.554 31.823 -0.071 0.000 0.648 236 V HN -0.088 nan 8.190 nan 0.000 0.447 237 L N 1.121 122.304 121.223 -0.067 0.000 2.189 237 L HA -0.180 4.160 4.340 -0.000 0.000 0.214 237 L C 2.512 179.342 176.870 -0.066 0.000 1.097 237 L CA 2.539 57.344 54.840 -0.059 0.000 0.764 237 L CB -0.800 41.239 42.059 -0.034 0.000 0.900 237 L HN 0.687 nan 8.230 nan 0.000 0.436 238 E N -1.494 118.667 120.200 -0.065 0.000 2.276 238 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 238 E C 2.061 178.611 176.600 -0.083 0.000 0.983 238 E CA 0.620 56.984 56.400 -0.059 0.000 0.861 238 E CB 0.057 29.730 29.700 -0.044 0.000 0.817 238 E HN 0.544 nan 8.360 nan 0.000 0.485 239 A N 1.117 123.868 122.820 -0.115 0.000 1.873 239 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 239 A C 2.313 179.759 177.584 -0.229 0.000 1.186 239 A CA 1.584 53.526 52.037 -0.159 0.000 0.616 239 A CB -0.842 18.047 19.000 -0.184 0.000 0.823 239 A HN 0.298 nan 8.150 nan 0.000 0.442 240 V N -3.025 116.716 119.914 -0.288 0.000 3.380 240 V HA 0.251 4.370 4.120 -0.000 0.000 0.268 240 V C 2.102 178.122 176.094 -0.123 0.000 1.168 240 V CA 1.294 63.392 62.300 -0.336 0.000 1.156 240 V CB -1.033 30.599 31.823 -0.318 0.000 0.785 240 V HN 0.487 nan 8.190 nan 0.000 0.487 241 A N 0.997 123.761 122.820 -0.093 0.000 1.861 241 A HA 0.049 4.369 4.320 -0.000 0.000 0.212 241 A C 2.238 179.804 177.584 -0.030 0.000 1.199 241 A CA 1.363 53.373 52.037 -0.045 0.000 0.613 241 A CB -0.353 18.622 19.000 -0.041 0.000 0.846 241 A HN 0.511 nan 8.150 nan 0.000 0.446 242 K N -0.042 120.333 120.400 -0.042 0.000 2.459 242 K HA 0.199 4.519 4.320 -0.000 0.000 0.193 242 K C 1.608 178.201 176.600 -0.012 0.000 1.030 242 K CA 0.558 56.831 56.287 -0.024 0.000 1.026 242 K CB -0.015 32.468 32.500 -0.029 0.000 0.809 242 K HN 0.418 nan 8.250 nan 0.000 0.504 243 A N 0.650 123.455 122.820 -0.024 0.000 2.178 243 A HA 0.161 4.481 4.320 -0.000 0.000 0.211 243 A C 1.520 179.165 177.584 0.102 0.000 1.157 243 A CA 0.714 52.773 52.037 0.036 0.000 0.780 243 A CB -0.295 18.673 19.000 -0.054 0.000 0.828 243 A HN 0.351 nan 8.150 nan 0.000 0.476 244 G N -0.409 108.428 108.800 0.060 0.000 2.203 244 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.263 244 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.263 244 G C 0.163 175.121 174.900 0.097 0.000 1.012 244 G CA 1.095 46.232 45.100 0.062 0.000 0.749 244 G HN 0.624 nan 8.290 nan 0.000 0.512 245 K N -0.142 120.363 120.400 0.176 0.000 2.340 245 K HA 0.570 4.890 4.320 -0.000 0.000 0.244 245 K C -2.533 174.178 176.600 0.186 0.000 0.973 245 K CA -2.258 54.152 56.287 0.205 0.000 0.828 245 K CB 2.030 34.735 32.500 0.341 0.000 1.226 245 K HN -0.037 nan 8.250 nan 0.000 0.437 246 P HA 0.172 nan 4.420 nan 0.000 0.275 246 P C -1.256 176.131 177.300 0.145 0.000 1.266 246 P CA -0.631 62.515 63.100 0.076 0.000 0.793 246 P CB 0.524 32.237 31.700 0.022 0.000 1.074 247 L N 0.779 122.047 121.223 0.074 0.000 2.472 247 L HA 0.506 4.846 4.340 -0.000 0.000 0.260 247 L C -1.927 174.959 176.870 0.027 0.000 0.963 247 L CA -0.808 54.092 54.840 0.100 0.000 0.829 247 L CB 1.798 43.902 42.059 0.074 0.000 1.348 247 L HN 0.281 nan 8.230 nan 0.000 0.408 248 L N 4.917 126.171 121.223 0.052 0.000 2.342 248 L HA 0.644 4.984 4.340 -0.000 0.000 0.271 248 L C -1.005 175.897 176.870 0.054 0.000 1.008 248 L CA -0.562 54.297 54.840 0.033 0.000 0.818 248 L CB 2.080 44.165 42.059 0.043 0.000 1.296 248 L HN 0.663 nan 8.230 nan 0.000 0.427 249 I N 4.555 125.159 120.570 0.057 0.000 2.646 249 I HA 0.496 4.666 4.170 -0.000 0.000 0.299 249 I C -0.698 175.479 176.117 0.101 0.000 1.036 249 I CA -0.671 60.671 61.300 0.071 0.000 1.074 249 I CB 2.540 40.576 38.000 0.060 0.000 1.258 249 I HN 0.449 nan 8.210 nan 0.000 0.430 250 I N 4.550 125.172 120.570 0.087 0.000 2.563 250 I HA 0.702 4.872 4.170 -0.000 0.000 0.285 250 I C -0.414 175.731 176.117 0.046 0.000 1.123 250 I CA -0.115 61.237 61.300 0.086 0.000 1.059 250 I CB 1.777 39.837 38.000 0.100 0.000 1.229 250 I HN 0.778 nan 8.210 nan 0.000 0.442 251 A N 4.557 127.400 122.820 0.039 0.000 2.493 251 A HA 0.535 4.855 4.320 -0.000 0.000 0.300 251 A C 0.508 178.106 177.584 0.022 0.000 1.152 251 A CA -0.489 51.562 52.037 0.024 0.000 0.643 251 A CB 0.952 19.970 19.000 0.031 0.000 1.316 251 A HN 0.500 nan 8.150 nan 0.000 0.469 252 E N 0.450 120.662 120.200 0.020 0.000 2.072 252 E HA -0.186 4.164 4.350 -0.000 0.000 0.218 252 E C 0.143 176.761 176.600 0.030 0.000 1.051 252 E CA 2.184 58.597 56.400 0.022 0.000 0.880 252 E CB 0.023 29.736 29.700 0.023 0.000 0.783 252 E HN 0.635 nan 8.360 nan 0.000 0.473 253 D N -2.527 117.894 120.400 0.036 0.000 3.010 253 D HA 0.215 4.855 4.640 -0.000 0.000 0.353 253 D C -1.636 174.694 176.300 0.050 0.000 1.415 253 D CA -0.395 53.633 54.000 0.046 0.000 0.864 253 D CB 1.358 42.179 40.800 0.035 0.000 1.445 253 D HN -0.138 nan 8.370 nan 0.000 0.516 254 V N 1.595 121.542 119.914 0.055 0.000 2.577 254 V HA 0.286 4.405 4.120 -0.000 0.000 0.294 254 V C -0.884 175.235 176.094 0.042 0.000 1.052 254 V CA -0.744 61.590 62.300 0.056 0.000 0.891 254 V CB 1.586 33.459 31.823 0.084 0.000 1.017 254 V HN 0.383 nan 8.190 nan 0.000 0.436 255 E N 2.376 122.594 120.200 0.030 0.000 2.354 255 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 255 E C 1.454 178.064 176.600 0.015 0.000 1.036 255 E CA 0.673 57.084 56.400 0.018 0.000 0.876 255 E CB 1.280 30.988 29.700 0.013 0.000 1.009 255 E HN 0.712 nan 8.360 nan 0.000 0.416 256 G N 2.689 111.491 108.800 0.003 0.000 2.663 256 G HA2 -0.465 3.495 3.960 -0.000 0.000 0.222 256 G HA3 -0.465 3.495 3.960 -0.000 0.000 0.222 256 G C 1.312 176.212 174.900 -0.000 0.000 1.146 256 G CA 1.525 46.621 45.100 -0.007 0.000 0.764 256 G HN 0.733 nan 8.290 nan 0.000 0.608 257 E N 0.392 120.593 120.200 0.002 0.000 2.082 257 E HA -0.260 4.090 4.350 -0.000 0.000 0.215 257 E C 2.657 179.263 176.600 0.010 0.000 1.048 257 E CA 1.969 58.371 56.400 0.003 0.000 0.869 257 E CB -0.406 29.297 29.700 0.005 0.000 0.773 257 E HN 0.442 nan 8.360 nan 0.000 0.466 258 A N 0.457 123.289 122.820 0.019 0.000 1.943 258 A HA 0.055 4.375 4.320 -0.000 0.000 0.213 258 A C 2.123 179.735 177.584 0.046 0.000 1.181 258 A CA 0.603 52.657 52.037 0.029 0.000 0.653 258 A CB -0.442 18.576 19.000 0.031 0.000 0.833 258 A HN 0.410 nan 8.150 nan 0.000 0.451 259 L N -0.216 121.035 121.223 0.047 0.000 1.937 259 L HA -0.096 4.244 4.340 -0.000 0.000 0.213 259 L C 2.826 179.723 176.870 0.045 0.000 1.077 259 L CA 1.676 56.557 54.840 0.068 0.000 0.758 259 L CB -0.579 41.506 42.059 0.045 0.000 0.888 259 L HN 0.357 nan 8.230 nan 0.000 0.433 260 A N -0.288 122.529 122.820 -0.006 0.000 1.954 260 A HA -0.363 3.957 4.320 -0.000 0.000 0.222 260 A C 2.296 179.870 177.584 -0.016 0.000 1.199 260 A CA 3.171 55.183 52.037 -0.043 0.000 0.657 260 A CB -1.650 17.317 19.000 -0.054 0.000 0.823 260 A HN 0.757 nan 8.150 nan 0.000 0.463 261 T N -1.447 113.113 114.554 0.009 0.000 2.684 261 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 261 T C 1.839 176.566 174.700 0.046 0.000 1.036 261 T CA 1.526 63.637 62.100 0.018 0.000 1.148 261 T CB -0.711 68.168 68.868 0.018 0.000 0.863 261 T HN 0.345 nan 8.240 nan 0.000 0.436 262 L N 0.867 122.140 121.223 0.083 0.000 1.989 262 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 262 L C 3.017 180.007 176.870 0.200 0.000 1.071 262 L CA 1.213 56.130 54.840 0.128 0.000 0.749 262 L CB -0.988 41.175 42.059 0.173 0.000 0.890 262 L HN 0.168 nan 8.230 nan 0.000 0.431 263 V N -0.185 119.870 119.914 0.235 0.000 2.236 263 V HA -0.365 3.755 4.120 -0.000 0.000 0.255 263 V C 2.417 178.585 176.094 0.122 0.000 1.068 263 V CA 2.305 64.720 62.300 0.192 0.000 1.044 263 V CB -0.711 31.051 31.823 -0.103 0.000 0.653 263 V HN 0.249 nan 8.190 nan 0.000 0.448 264 V N 0.451 120.389 119.914 0.040 0.000 2.270 264 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 264 V C 2.420 178.547 176.094 0.055 0.000 1.043 264 V CA 2.177 64.495 62.300 0.031 0.000 1.014 264 V CB -1.102 30.721 31.823 0.000 0.000 0.645 264 V HN 0.693 nan 8.190 nan 0.000 0.447 265 N N 0.847 119.579 118.700 0.053 0.000 2.187 265 N HA -0.261 4.479 4.740 -0.000 0.000 0.194 265 N C 1.798 177.336 175.510 0.046 0.000 1.002 265 N CA 2.726 55.801 53.050 0.042 0.000 0.882 265 N CB -0.061 38.449 38.487 0.038 0.000 1.003 265 N HN 0.751 nan 8.380 nan 0.000 0.443 266 T N -1.664 112.936 114.554 0.078 0.000 2.988 266 T HA 0.080 4.430 4.350 -0.000 0.000 0.240 266 T C 1.414 176.166 174.700 0.087 0.000 1.014 266 T CA 0.230 62.373 62.100 0.072 0.000 1.155 266 T CB -0.506 68.409 68.868 0.079 0.000 0.872 266 T HN 0.283 nan 8.240 nan 0.000 0.440 267 M N 1.885 121.562 119.600 0.128 0.000 2.921 267 M HA 0.563 5.043 4.480 -0.000 0.000 0.319 267 M C 0.543 176.890 176.300 0.079 0.000 1.710 267 M CA 0.551 55.925 55.300 0.123 0.000 1.471 267 M CB -1.156 31.554 32.600 0.184 0.000 1.832 267 M HN 0.538 nan 8.290 nan 0.000 0.467 268 R N 1.063 121.597 120.500 0.056 0.000 3.125 268 R HA 0.082 4.422 4.340 -0.000 0.000 0.258 268 R C -0.322 175.998 176.300 0.033 0.000 0.968 268 R CA 0.845 56.968 56.100 0.039 0.000 0.656 268 R CB -3.058 27.264 30.300 0.038 0.000 1.251 268 R HN 1.657 nan 8.270 nan 0.000 0.428 269 G N -1.070 107.748 108.800 0.030 0.000 2.690 269 G HA2 0.706 4.666 3.960 -0.000 0.000 0.291 269 G HA3 0.706 4.666 3.960 -0.000 0.000 0.291 269 G C 0.927 175.836 174.900 0.015 0.000 1.403 269 G CA -0.276 44.838 45.100 0.023 0.000 0.864 269 G HN 0.506 nan 8.290 nan 0.000 0.480 270 I N -0.251 120.325 120.570 0.010 0.000 2.126 270 I HA -0.144 4.026 4.170 -0.000 0.000 0.200 270 I C 1.076 177.195 176.117 0.003 0.000 1.014 270 I CA 0.946 62.249 61.300 0.005 0.000 1.339 270 I CB -0.414 37.587 38.000 0.002 0.000 1.086 270 I HN 0.050 nan 8.210 nan 0.000 0.393 271 V N 2.431 122.343 119.914 -0.002 0.000 2.450 271 V HA -0.015 4.105 4.120 -0.000 0.000 0.281 271 V C 0.220 176.307 176.094 -0.011 0.000 1.019 271 V CA 0.115 62.411 62.300 -0.007 0.000 1.062 271 V CB 0.144 31.958 31.823 -0.015 0.000 0.979 271 V HN 0.266 nan 8.190 nan 0.000 0.477 272 K N 4.945 125.336 120.400 -0.015 0.000 2.293 272 K HA 0.663 4.983 4.320 -0.000 0.000 0.267 272 K C -0.613 175.946 176.600 -0.067 0.000 1.010 272 K CA -0.424 55.845 56.287 -0.030 0.000 0.875 272 K CB 1.362 33.854 32.500 -0.014 0.000 1.106 272 K HN 0.665 nan 8.250 nan 0.000 0.450 273 V N -0.321 119.512 119.914 -0.136 0.000 3.112 273 V HA 0.990 5.110 4.120 -0.000 0.000 0.310 273 V C -1.395 174.395 176.094 -0.506 0.000 1.364 273 V CA -0.828 61.348 62.300 -0.208 0.000 1.058 273 V CB 1.448 33.195 31.823 -0.127 0.000 1.079 273 V HN 0.782 nan 8.190 nan 0.000 0.463 274 A N -0.497 122.009 122.820 -0.524 0.000 2.599 274 A HA 1.107 5.427 4.320 -0.000 0.000 0.290 274 A C -0.593 176.817 177.584 -0.289 0.000 1.101 274 A CA -0.325 51.144 52.037 -0.946 0.000 0.674 274 A CB 1.147 19.556 19.000 -0.986 0.000 1.277 274 A HN 2.793 nan 8.150 nan 0.000 0.419 275 A N -0.706 122.112 122.820 -0.005 0.000 2.594 275 A HA 0.879 5.199 4.320 -0.000 0.000 0.295 275 A C -0.827 176.922 177.584 0.275 0.000 1.071 275 A CA 0.021 52.152 52.037 0.157 0.000 0.685 275 A CB 1.195 20.280 19.000 0.142 0.000 1.285 275 A HN 2.392 nan 8.150 nan 0.000 0.405 276 V N -1.317 118.728 119.914 0.218 0.000 3.049 276 V HA 0.670 4.790 4.120 -0.000 0.000 0.309 276 V C -0.414 175.784 176.094 0.174 0.000 1.148 276 V CA -1.268 61.167 62.300 0.225 0.000 0.990 276 V CB 1.387 33.368 31.823 0.263 0.000 1.039 276 V HN 0.948 nan 8.190 nan 0.000 0.430 277 K N 1.686 122.167 120.400 0.135 0.000 2.344 277 K HA 0.580 4.900 4.320 -0.000 0.000 0.260 277 K C 0.383 176.986 176.600 0.006 0.000 0.988 277 K CA 0.521 56.849 56.287 0.069 0.000 0.909 277 K CB 0.573 33.103 32.500 0.051 0.000 0.968 277 K HN 1.139 nan 8.250 nan 0.000 0.505 278 A N 3.015 125.799 122.820 -0.061 0.000 2.316 278 A HA 0.352 4.672 4.320 -0.000 0.000 0.284 278 A C -2.108 175.321 177.584 -0.258 0.000 1.115 278 A CA -1.479 50.437 52.037 -0.201 0.000 0.812 278 A CB -0.010 18.916 19.000 -0.123 0.000 1.064 278 A HN 0.498 nan 8.150 nan 0.000 0.489 279 P HA 0.366 nan 4.420 nan 0.000 0.272 279 P C 0.549 177.773 177.300 -0.127 0.000 1.240 279 P CA 1.193 64.090 63.100 -0.340 0.000 0.791 279 P CB 0.451 31.822 31.700 -0.548 0.000 0.978 280 G N 0.856 109.659 108.800 0.005 0.000 2.901 280 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.654 280 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.654 280 G C -0.820 174.181 174.900 0.169 0.000 1.550 280 G CA -0.221 44.917 45.100 0.064 0.000 0.978 280 G HN 0.656 nan 8.290 nan 0.000 0.566 281 F N -0.300 119.633 119.950 -0.028 0.000 2.565 281 F HA 0.835 5.362 4.527 -0.000 0.000 0.313 281 F C 0.942 176.737 175.800 -0.008 0.000 1.091 281 F CA -0.304 57.685 58.000 -0.017 0.000 0.915 281 F CB 1.241 40.239 39.000 -0.003 0.000 1.208 281 F HN 2.316 nan 8.300 nan 0.000 0.453 282 G N 2.308 111.147 108.800 0.066 0.000 2.527 282 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.268 282 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.268 282 G C 0.494 175.353 174.900 -0.068 0.000 1.175 282 G CA 0.424 45.522 45.100 -0.003 0.000 0.962 282 G HN 0.762 nan 8.290 nan 0.000 0.560 283 D N 0.397 120.744 120.400 -0.088 0.000 2.172 283 D HA -0.135 4.505 4.640 -0.000 0.000 0.196 283 D C 2.434 178.666 176.300 -0.114 0.000 0.999 283 D CA 1.699 55.647 54.000 -0.085 0.000 0.856 283 D CB -0.134 40.617 40.800 -0.081 0.000 0.934 283 D HN 0.320 nan 8.370 nan 0.000 0.453 284 R N 1.066 121.456 120.500 -0.183 0.000 2.103 284 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 284 R C 2.379 178.602 176.300 -0.130 0.000 1.132 284 R CA 1.859 57.844 56.100 -0.192 0.000 0.925 284 R CB -0.517 29.601 30.300 -0.303 0.000 0.842 284 R HN 0.317 nan 8.270 nan 0.000 0.430 285 R N 0.808 121.243 120.500 -0.108 0.000 2.153 285 R HA -0.212 4.128 4.340 -0.000 0.000 0.252 285 R C 1.634 177.894 176.300 -0.068 0.000 1.158 285 R CA 1.675 57.728 56.100 -0.078 0.000 0.975 285 R CB -0.520 29.754 30.300 -0.044 0.000 0.871 285 R HN 0.034 nan 8.270 nan 0.000 0.450 286 K N 1.043 121.408 120.400 -0.059 0.000 1.998 286 K HA -0.232 4.088 4.320 -0.000 0.000 0.228 286 K C 2.306 178.880 176.600 -0.045 0.000 1.053 286 K CA 2.189 58.449 56.287 -0.045 0.000 0.988 286 K CB -0.950 31.524 32.500 -0.043 0.000 0.735 286 K HN 0.412 nan 8.250 nan 0.000 0.448 287 A N 1.744 124.533 122.820 -0.052 0.000 1.858 287 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 287 A C 2.290 179.845 177.584 -0.047 0.000 1.190 287 A CA 2.038 54.047 52.037 -0.046 0.000 0.617 287 A CB -0.455 18.514 19.000 -0.052 0.000 0.827 287 A HN 0.251 nan 8.150 nan 0.000 0.443 288 M N -1.259 118.303 119.600 -0.064 0.000 3.092 288 M HA -0.295 4.185 4.480 -0.000 0.000 0.270 288 M C 2.218 178.482 176.300 -0.061 0.000 1.042 288 M CA 2.297 57.553 55.300 -0.073 0.000 1.052 288 M CB -1.542 30.994 32.600 -0.107 0.000 1.250 288 M HN 0.478 nan 8.290 nan 0.000 0.529 289 L N 0.505 121.688 121.223 -0.067 0.000 2.013 289 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 289 L C 2.596 179.456 176.870 -0.016 0.000 1.073 289 L CA 2.323 57.136 54.840 -0.045 0.000 0.753 289 L CB -0.995 41.041 42.059 -0.040 0.000 0.890 289 L HN 0.416 nan 8.230 nan 0.000 0.432 290 Q N 0.020 119.810 119.800 -0.018 0.000 2.062 290 Q HA -0.280 4.060 4.340 -0.000 0.000 0.209 290 Q C 1.778 177.777 176.000 -0.001 0.000 0.996 290 Q CA 2.542 58.340 55.803 -0.008 0.000 0.859 290 Q CB -0.660 28.070 28.738 -0.013 0.000 0.920 290 Q HN 0.649 nan 8.270 nan 0.000 0.415 291 D N -0.166 120.231 120.400 -0.005 0.000 2.154 291 D HA -0.217 4.423 4.640 -0.000 0.000 0.190 291 D C 1.859 178.171 176.300 0.020 0.000 1.003 291 D CA 2.022 56.025 54.000 0.004 0.000 0.849 291 D CB -0.348 40.453 40.800 0.002 0.000 0.942 291 D HN 0.389 nan 8.370 nan 0.000 0.446 292 I N 0.799 121.388 120.570 0.032 0.000 2.127 292 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 292 I C 2.492 178.635 176.117 0.043 0.000 1.075 292 I CA 1.177 62.511 61.300 0.057 0.000 1.334 292 I CB -0.463 37.587 38.000 0.084 0.000 1.040 292 I HN 0.003 nan 8.210 nan 0.000 0.405 293 A N 0.839 123.678 122.820 0.032 0.000 1.870 293 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 293 A C 2.378 179.976 177.584 0.023 0.000 1.224 293 A CA 3.120 55.174 52.037 0.028 0.000 0.650 293 A CB -1.455 17.556 19.000 0.019 0.000 0.836 293 A HN 0.439 nan 8.150 nan 0.000 0.454 294 T N 0.042 114.606 114.554 0.017 0.000 2.592 294 T HA -0.265 4.085 4.350 -0.000 0.000 0.267 294 T C 1.836 176.544 174.700 0.014 0.000 1.060 294 T CA 1.920 64.027 62.100 0.013 0.000 1.167 294 T CB -0.646 68.227 68.868 0.008 0.000 0.863 294 T HN 0.419 nan 8.240 nan 0.000 0.431 295 L N 1.591 122.824 121.223 0.018 0.000 2.042 295 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 295 L C 2.598 179.476 176.870 0.014 0.000 1.076 295 L CA 2.581 57.430 54.840 0.016 0.000 0.749 295 L CB -1.323 40.750 42.059 0.024 0.000 0.893 295 L HN 0.529 nan 8.230 nan 0.000 0.432 296 T N -3.648 110.918 114.554 0.021 0.000 3.088 296 T HA 0.233 4.583 4.350 -0.000 0.000 0.259 296 T C 1.438 176.148 174.700 0.015 0.000 1.122 296 T CA 0.410 62.521 62.100 0.017 0.000 1.095 296 T CB -0.577 68.310 68.868 0.031 0.000 0.930 296 T HN 0.791 nan 8.240 nan 0.000 0.508 297 G N 0.650 109.460 108.800 0.017 0.000 2.221 297 G HA2 0.014 3.974 3.960 -0.000 0.000 0.265 297 G HA3 0.014 3.974 3.960 -0.000 0.000 0.265 297 G C 0.296 175.212 174.900 0.027 0.000 1.041 297 G CA -0.101 45.010 45.100 0.017 0.000 0.807 297 G HN 1.051 nan 8.290 nan 0.000 0.502 298 G N -1.592 107.228 108.800 0.032 0.000 2.552 298 G HA2 0.733 4.693 3.960 -0.000 0.000 0.324 298 G HA3 0.733 4.693 3.960 -0.000 0.000 0.324 298 G C -0.270 174.649 174.900 0.032 0.000 1.217 298 G CA 0.146 45.271 45.100 0.041 0.000 0.989 298 G HN 0.514 nan 8.290 nan 0.000 0.490 299 T N 0.268 114.841 114.554 0.032 0.000 2.829 299 T HA 0.446 4.796 4.350 -0.000 0.000 0.282 299 T C 0.280 174.992 174.700 0.021 0.000 0.990 299 T CA -0.286 61.828 62.100 0.023 0.000 1.028 299 T CB 1.392 70.272 68.868 0.020 0.000 0.951 299 T HN 0.769 nan 8.240 nan 0.000 0.460 300 V N 1.723 121.646 119.914 0.015 0.000 2.385 300 V HA 0.507 4.627 4.120 -0.000 0.000 0.269 300 V C -0.204 175.895 176.094 0.009 0.000 1.043 300 V CA -0.929 61.379 62.300 0.012 0.000 0.906 300 V CB -0.171 31.656 31.823 0.006 0.000 0.995 300 V HN 0.647 nan 8.190 nan 0.000 0.467 301 I N 4.906 125.482 120.570 0.010 0.000 2.311 301 I HA 0.248 4.418 4.170 -0.000 0.000 0.297 301 I C 0.821 176.942 176.117 0.006 0.000 1.131 301 I CA 0.936 62.241 61.300 0.008 0.000 1.289 301 I CB 0.178 38.183 38.000 0.009 0.000 1.446 301 I HN 0.681 nan 8.210 nan 0.000 0.524 302 S N 5.748 121.451 115.700 0.004 0.000 2.429 302 S HA 0.277 4.747 4.470 -0.000 0.000 0.302 302 S C 1.055 175.657 174.600 0.003 0.000 1.115 302 S CA -0.716 57.485 58.200 0.002 0.000 1.095 302 S CB 1.384 64.584 63.200 0.000 0.000 0.987 302 S HN 0.464 nan 8.310 nan 0.000 0.474 303 E N 2.265 122.467 120.200 0.003 0.000 2.268 303 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 303 E C 0.517 177.118 176.600 0.002 0.000 0.995 303 E CA 0.786 57.188 56.400 0.003 0.000 0.836 303 E CB 0.003 29.706 29.700 0.005 0.000 0.763 303 E HN 0.719 nan 8.360 nan 0.000 0.491 304 E N 0.154 120.355 120.200 0.002 0.000 2.382 304 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 304 E C 0.992 177.592 176.600 0.000 0.000 1.125 304 E CA 0.059 56.459 56.400 0.001 0.000 0.929 304 E CB 0.042 29.742 29.700 -0.000 0.000 1.053 304 E HN 0.264 nan 8.360 nan 0.000 0.475 305 I N -2.106 118.465 120.570 0.001 0.000 4.765 305 I HA 0.160 4.330 4.170 -0.000 0.000 0.349 305 I C 1.331 177.449 176.117 0.001 0.000 1.278 305 I CA 0.046 61.347 61.300 0.000 0.000 1.331 305 I CB 1.147 39.148 38.000 0.000 0.000 1.570 305 I HN 0.236 nan 8.210 nan 0.000 0.538 306 G N 2.020 110.821 108.800 0.001 0.000 2.284 306 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.247 306 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.247 306 G C 0.483 175.384 174.900 0.001 0.000 1.012 306 G CA 0.038 45.139 45.100 0.001 0.000 0.618 306 G HN 0.258 nan 8.290 nan 0.000 0.521 307 M N 1.225 120.826 119.600 0.002 0.000 2.261 307 M HA 0.344 4.824 4.480 -0.000 0.000 0.350 307 M C 0.550 176.851 176.300 0.002 0.000 1.343 307 M CA 1.005 56.306 55.300 0.002 0.000 1.003 307 M CB 0.457 33.058 32.600 0.002 0.000 1.848 307 M HN 0.416 nan 8.290 nan 0.000 0.456 308 E N 2.212 122.412 120.200 0.001 0.000 2.355 308 E HA 0.370 4.720 4.350 -0.000 0.000 0.261 308 E C 0.141 176.742 176.600 0.001 0.000 0.943 308 E CA -0.679 55.721 56.400 0.001 0.000 0.806 308 E CB 1.486 31.186 29.700 0.001 0.000 1.286 308 E HN 0.733 nan 8.360 nan 0.000 0.424 309 L N 0.820 122.043 121.223 0.001 0.000 2.044 309 L HA -0.082 4.258 4.340 -0.000 0.000 0.205 309 L C 2.147 179.013 176.870 -0.006 0.000 1.075 309 L CA 1.081 55.920 54.840 -0.001 0.000 0.747 309 L CB -0.424 41.636 42.059 0.002 0.000 0.903 309 L HN 0.623 nan 8.230 nan 0.000 0.435 310 E N 0.574 120.771 120.200 -0.005 0.000 2.219 310 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 310 E C 0.442 177.036 176.600 -0.009 0.000 0.998 310 E CA 1.001 57.396 56.400 -0.008 0.000 0.818 310 E CB -0.039 29.657 29.700 -0.006 0.000 0.741 310 E HN 0.221 nan 8.360 nan 0.000 0.477 311 K N 0.720 121.116 120.400 -0.006 0.000 2.502 311 K HA 0.347 4.667 4.320 -0.000 0.000 0.244 311 K C -1.020 175.576 176.600 -0.006 0.000 1.249 311 K CA -0.060 56.224 56.287 -0.006 0.000 1.193 311 K CB 1.101 33.599 32.500 -0.003 0.000 1.674 311 K HN 0.062 nan 8.250 nan 0.000 0.302 312 A N 0.344 123.158 122.820 -0.011 0.000 2.547 312 A HA 0.614 4.934 4.320 -0.000 0.000 0.298 312 A C -0.723 176.847 177.584 -0.023 0.000 1.062 312 A CA -0.750 51.280 52.037 -0.012 0.000 0.748 312 A CB 1.167 20.161 19.000 -0.009 0.000 1.288 312 A HN 0.246 nan 8.150 nan 0.000 0.396 313 T N 2.068 116.610 114.554 -0.021 0.000 2.916 313 T HA 0.469 4.819 4.350 -0.000 0.000 0.292 313 T C 1.247 175.929 174.700 -0.030 0.000 1.055 313 T CA -0.572 61.508 62.100 -0.033 0.000 1.009 313 T CB 1.098 69.951 68.868 -0.024 0.000 1.118 313 T HN 0.499 nan 8.240 nan 0.000 0.497 314 L N 1.288 122.475 121.223 -0.059 0.000 2.085 314 L HA -0.240 4.100 4.340 -0.000 0.000 0.218 314 L C 2.559 179.457 176.870 0.047 0.000 1.080 314 L CA 1.988 56.804 54.840 -0.040 0.000 0.776 314 L CB -1.180 40.834 42.059 -0.075 0.000 0.891 314 L HN 0.878 nan 8.230 nan 0.000 0.437 315 E N -0.974 119.245 120.200 0.033 0.000 2.444 315 E HA -0.246 4.104 4.350 -0.000 0.000 0.204 315 E C 0.771 177.395 176.600 0.041 0.000 1.049 315 E CA 1.484 57.909 56.400 0.041 0.000 0.872 315 E CB -0.401 29.313 29.700 0.024 0.000 0.791 315 E HN 0.621 nan 8.360 nan 0.000 0.548 316 D N 0.063 120.485 120.400 0.037 0.000 2.417 316 D HA 0.100 4.740 4.640 -0.000 0.000 0.207 316 D C 0.118 176.450 176.300 0.053 0.000 1.075 316 D CA -0.059 53.962 54.000 0.035 0.000 0.851 316 D CB 0.375 41.187 40.800 0.020 0.000 0.976 316 D HN 0.116 nan 8.370 nan 0.000 0.505 317 L N 0.962 122.234 121.223 0.083 0.000 2.418 317 L HA 0.399 4.739 4.340 -0.000 0.000 0.265 317 L C 1.358 178.304 176.870 0.127 0.000 1.143 317 L CA -0.099 54.816 54.840 0.125 0.000 0.809 317 L CB 0.941 43.128 42.059 0.214 0.000 1.124 317 L HN -0.165 nan 8.230 nan 0.000 0.456 318 G N 0.417 109.281 108.800 0.106 0.000 2.557 318 G HA2 0.681 4.641 3.960 -0.000 0.000 0.302 318 G HA3 0.681 4.641 3.960 -0.000 0.000 0.302 318 G C -1.127 173.799 174.900 0.044 0.000 1.311 318 G CA -0.348 44.792 45.100 0.066 0.000 1.030 318 G HN 0.506 nan 8.290 nan 0.000 0.509 319 Q N -1.663 118.133 119.800 -0.008 0.000 2.386 319 Q HA 0.555 4.895 4.340 -0.000 0.000 0.274 319 Q C -1.319 174.640 176.000 -0.067 0.000 1.011 319 Q CA -0.754 55.002 55.803 -0.079 0.000 0.867 319 Q CB 2.540 31.184 28.738 -0.156 0.000 1.409 319 Q HN 0.877 nan 8.270 nan 0.000 0.395 320 A N 1.283 124.054 122.820 -0.081 0.000 2.486 320 A HA 0.420 4.740 4.320 -0.000 0.000 0.300 320 A C -0.185 177.352 177.584 -0.079 0.000 1.048 320 A CA -0.659 51.341 52.037 -0.062 0.000 0.696 320 A CB 1.298 20.275 19.000 -0.039 0.000 1.278 320 A HN 0.756 nan 8.150 nan 0.000 0.405 321 K N 0.165 120.524 120.400 -0.068 0.000 2.281 321 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 321 K C 0.668 177.232 176.600 -0.059 0.000 1.046 321 K CA 1.304 57.550 56.287 -0.068 0.000 0.938 321 K CB 0.026 32.494 32.500 -0.054 0.000 0.737 321 K HN 0.613 nan 8.250 nan 0.000 0.458 322 R N -1.273 119.196 120.500 -0.051 0.000 2.766 322 R HA 0.523 4.863 4.340 -0.000 0.000 0.270 322 R C -1.903 174.373 176.300 -0.041 0.000 1.035 322 R CA -0.792 55.282 56.100 -0.043 0.000 0.911 322 R CB 2.673 32.951 30.300 -0.036 0.000 1.243 322 R HN -0.105 nan 8.270 nan 0.000 0.460 323 V N 1.014 120.907 119.914 -0.036 0.000 2.915 323 V HA 0.479 4.599 4.120 -0.000 0.000 0.273 323 V C -1.923 174.154 176.094 -0.029 0.000 1.538 323 V CA -0.578 61.697 62.300 -0.040 0.000 0.946 323 V CB 1.917 33.719 31.823 -0.034 0.000 1.183 323 V HN 0.618 nan 8.190 nan 0.000 0.446 324 V N 4.742 124.635 119.914 -0.036 0.000 2.789 324 V HA 0.914 5.034 4.120 -0.000 0.000 0.311 324 V C -1.065 175.025 176.094 -0.006 0.000 1.073 324 V CA -0.672 61.622 62.300 -0.010 0.000 0.921 324 V CB 1.859 33.678 31.823 -0.007 0.000 1.009 324 V HN 0.830 nan 8.190 nan 0.000 0.426 325 I N 4.662 125.265 120.570 0.054 0.000 2.689 325 I HA 0.641 4.811 4.170 -0.000 0.000 0.299 325 I C -0.133 176.088 176.117 0.173 0.000 1.059 325 I CA -0.304 61.053 61.300 0.096 0.000 1.055 325 I CB 2.196 40.304 38.000 0.181 0.000 1.243 325 I HN 1.013 nan 8.210 nan 0.000 0.425 326 N N 4.020 122.795 118.700 0.125 0.000 2.701 326 N HA 0.321 5.061 4.740 -0.000 0.000 0.290 326 N C 0.615 176.109 175.510 -0.026 0.000 1.338 326 N CA -0.776 52.366 53.050 0.154 0.000 0.799 326 N CB 1.309 39.840 38.487 0.073 0.000 1.491 326 N HN 0.560 nan 8.380 nan 0.000 0.540 327 K N -0.382 120.016 120.400 -0.003 0.000 2.137 327 K HA -0.259 4.061 4.320 -0.000 0.000 0.216 327 K C -0.458 175.849 176.600 -0.488 0.000 1.052 327 K CA 2.930 59.034 56.287 -0.305 0.000 0.939 327 K CB -0.354 32.115 32.500 -0.052 0.000 0.724 327 K HN 0.812 nan 8.250 nan 0.000 0.465 328 D N -1.627 118.636 120.400 -0.228 0.000 2.914 328 D HA 0.144 4.784 4.640 -0.000 0.000 0.349 328 D C -1.072 175.194 176.300 -0.057 0.000 1.540 328 D CA -0.433 53.476 54.000 -0.152 0.000 0.778 328 D CB 0.622 41.368 40.800 -0.090 0.000 1.213 328 D HN -0.023 nan 8.370 nan 0.000 0.451 329 T N -0.200 114.320 114.554 -0.057 0.000 3.295 329 T HA 0.452 4.802 4.350 -0.000 0.000 0.331 329 T C -0.832 173.811 174.700 -0.096 0.000 1.142 329 T CA -0.407 61.670 62.100 -0.039 0.000 1.078 329 T CB 2.024 70.877 68.868 -0.025 0.000 1.150 329 T HN -0.072 nan 8.240 nan 0.000 0.465 330 T N 2.255 116.668 114.554 -0.234 0.000 2.895 330 T HA 0.799 5.149 4.350 -0.000 0.000 0.283 330 T C -0.270 174.107 174.700 -0.537 0.000 1.014 330 T CA -0.620 61.242 62.100 -0.396 0.000 1.037 330 T CB 1.687 70.213 68.868 -0.570 0.000 1.006 330 T HN 0.680 nan 8.240 nan 0.000 0.468 331 T N 2.428 116.773 114.554 -0.349 0.000 3.395 331 T HA 0.538 4.888 4.350 -0.000 0.000 0.330 331 T C -0.940 173.661 174.700 -0.165 0.000 1.076 331 T CA -0.855 61.086 62.100 -0.265 0.000 1.070 331 T CB 0.124 68.895 68.868 -0.161 0.000 1.119 331 T HN 0.631 nan 8.240 nan 0.000 0.462 332 I N 2.754 123.242 120.570 -0.136 0.000 2.607 332 I HA 0.771 4.941 4.170 -0.000 0.000 0.305 332 I C -0.949 175.137 176.117 -0.052 0.000 0.995 332 I CA -1.351 59.905 61.300 -0.072 0.000 1.148 332 I CB 1.762 39.738 38.000 -0.039 0.000 1.323 332 I HN 0.559 nan 8.210 nan 0.000 0.461 333 I N 3.266 123.810 120.570 -0.042 0.000 2.447 333 I HA 0.314 4.484 4.170 -0.000 0.000 0.287 333 I C -1.101 174.997 176.117 -0.033 0.000 1.023 333 I CA -0.375 60.904 61.300 -0.036 0.000 1.083 333 I CB 1.576 39.554 38.000 -0.036 0.000 1.245 333 I HN 0.729 nan 8.210 nan 0.000 0.434 334 D N 5.024 125.408 120.400 -0.027 0.000 4.161 334 D HA -0.108 4.532 4.640 -0.000 0.000 0.246 334 D C -0.069 176.215 176.300 -0.026 0.000 1.064 334 D CA 0.848 54.833 54.000 -0.026 0.000 1.187 334 D CB -0.155 40.627 40.800 -0.030 0.000 0.871 334 D HN 0.823 nan 8.370 nan 0.000 0.413 335 G N 1.409 110.198 108.800 -0.018 0.000 2.390 335 G HA2 0.427 4.387 3.960 -0.000 0.000 0.270 335 G HA3 0.427 4.387 3.960 -0.000 0.000 0.270 335 G C 1.391 176.281 174.900 -0.017 0.000 1.211 335 G CA -0.345 44.747 45.100 -0.014 0.000 0.842 335 G HN 0.394 nan 8.290 nan 0.000 0.519 336 V N 2.662 122.563 119.914 -0.022 0.000 3.305 336 V HA 0.029 4.149 4.120 -0.000 0.000 0.269 336 V C 2.051 178.138 176.094 -0.010 0.000 1.157 336 V CA 0.668 62.955 62.300 -0.021 0.000 1.157 336 V CB -1.123 30.681 31.823 -0.032 0.000 0.772 336 V HN 0.773 nan 8.190 nan 0.000 0.498 337 G N 1.216 110.013 108.800 -0.004 0.000 2.272 337 G HA2 0.072 4.032 3.960 -0.000 0.000 0.247 337 G HA3 0.072 4.032 3.960 -0.000 0.000 0.247 337 G C 0.064 174.963 174.900 -0.001 0.000 1.272 337 G CA -0.276 44.824 45.100 0.001 0.000 0.921 337 G HN 0.321 nan 8.290 nan 0.000 0.495 338 E N 2.298 122.498 120.200 -0.000 0.000 2.558 338 E HA -0.054 4.296 4.350 -0.000 0.000 0.255 338 E C 1.290 177.890 176.600 -0.001 0.000 0.968 338 E CA -0.041 56.359 56.400 -0.001 0.000 0.939 338 E CB 0.737 30.438 29.700 0.000 0.000 0.921 338 E HN 0.561 nan 8.360 nan 0.000 0.477 339 E N 2.719 122.917 120.200 -0.003 0.000 2.097 339 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 339 E C 1.790 178.389 176.600 -0.002 0.000 1.000 339 E CA 1.552 57.951 56.400 -0.003 0.000 0.804 339 E CB -0.259 29.439 29.700 -0.004 0.000 0.740 339 E HN 0.617 nan 8.360 nan 0.000 0.454 340 A N 1.716 124.535 122.820 -0.002 0.000 1.884 340 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 340 A C 2.458 180.041 177.584 -0.001 0.000 1.197 340 A CA 2.889 54.925 52.037 -0.002 0.000 0.637 340 A CB -0.891 18.108 19.000 -0.001 0.000 0.827 340 A HN 0.318 nan 8.150 nan 0.000 0.450 341 A N -0.055 122.765 122.820 -0.000 0.000 1.834 341 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 341 A C 2.133 179.717 177.584 0.000 0.000 1.203 341 A CA 1.643 53.680 52.037 0.001 0.000 0.621 341 A CB -0.882 18.119 19.000 0.002 0.000 0.841 341 A HN 0.526 nan 8.150 nan 0.000 0.446 342 I N -0.371 120.199 120.570 0.001 0.000 2.053 342 I HA -0.384 3.786 4.170 -0.000 0.000 0.236 342 I C 2.798 178.915 176.117 -0.001 0.000 1.038 342 I CA 1.872 63.173 61.300 0.001 0.000 1.304 342 I CB -0.731 37.270 38.000 0.001 0.000 1.023 342 I HN 0.384 nan 8.210 nan 0.000 0.395 343 Q N 0.801 120.600 119.800 -0.002 0.000 2.152 343 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 343 Q C 2.300 178.298 176.000 -0.003 0.000 0.985 343 Q CA 2.003 57.804 55.803 -0.003 0.000 0.863 343 Q CB -1.122 27.614 28.738 -0.003 0.000 0.904 343 Q HN 0.713 nan 8.270 nan 0.000 0.422 344 G N 0.975 109.773 108.800 -0.003 0.000 2.433 344 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.216 344 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.216 344 G C 1.615 176.512 174.900 -0.004 0.000 1.186 344 G CA 1.004 46.102 45.100 -0.003 0.000 0.779 344 G HN 0.303 nan 8.290 nan 0.000 0.543 345 R N 0.290 120.788 120.500 -0.003 0.000 2.119 345 R HA -0.110 4.230 4.340 -0.000 0.000 0.246 345 R C 2.611 178.907 176.300 -0.006 0.000 1.146 345 R CA 1.750 57.847 56.100 -0.005 0.000 0.962 345 R CB -0.950 29.348 30.300 -0.003 0.000 0.863 345 R HN 0.253 nan 8.270 nan 0.000 0.442 346 V N 0.660 120.571 119.914 -0.005 0.000 2.231 346 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 346 V C 2.406 178.495 176.094 -0.008 0.000 1.054 346 V CA 2.180 64.476 62.300 -0.007 0.000 1.015 346 V CB -1.277 30.543 31.823 -0.005 0.000 0.638 346 V HN 0.591 nan 8.190 nan 0.000 0.444 347 A N -0.635 122.181 122.820 -0.007 0.000 1.896 347 A HA -0.384 3.936 4.320 -0.000 0.000 0.220 347 A C 2.149 179.728 177.584 -0.008 0.000 1.206 347 A CA 2.630 54.663 52.037 -0.007 0.000 0.647 347 A CB -0.697 18.300 19.000 -0.006 0.000 0.828 347 A HN 0.698 nan 8.150 nan 0.000 0.455 348 Q N -0.542 119.253 119.800 -0.009 0.000 1.967 348 Q HA -0.217 4.123 4.340 -0.000 0.000 0.210 348 Q C 2.181 178.173 176.000 -0.014 0.000 1.005 348 Q CA 1.938 57.734 55.803 -0.011 0.000 0.862 348 Q CB -0.499 28.233 28.738 -0.011 0.000 0.939 348 Q HN 0.752 nan 8.270 nan 0.000 0.417 349 I N 0.427 120.988 120.570 -0.015 0.000 2.087 349 I HA -0.356 3.814 4.170 -0.000 0.000 0.240 349 I C 2.549 178.654 176.117 -0.019 0.000 1.054 349 I CA 1.163 62.451 61.300 -0.020 0.000 1.311 349 I CB -0.511 37.476 38.000 -0.021 0.000 1.024 349 I HN 0.232 nan 8.210 nan 0.000 0.402 350 R N 0.596 121.087 120.500 -0.015 0.000 2.168 350 R HA -0.312 4.028 4.340 -0.000 0.000 0.242 350 R C 2.143 178.436 176.300 -0.013 0.000 1.123 350 R CA 2.177 58.269 56.100 -0.013 0.000 0.928 350 R CB -1.257 29.037 30.300 -0.010 0.000 0.873 350 R HN 0.561 nan 8.270 nan 0.000 0.434 351 Q N 0.833 120.627 119.800 -0.011 0.000 1.998 351 Q HA -0.258 4.082 4.340 -0.000 0.000 0.209 351 Q C 2.089 178.082 176.000 -0.012 0.000 1.002 351 Q CA 2.268 58.065 55.803 -0.010 0.000 0.858 351 Q CB -0.129 28.603 28.738 -0.009 0.000 0.932 351 Q HN 0.469 nan 8.270 nan 0.000 0.416 352 Q N -0.159 119.632 119.800 -0.015 0.000 2.315 352 Q HA -0.211 4.129 4.340 -0.000 0.000 0.213 352 Q C 1.873 177.861 176.000 -0.020 0.000 0.994 352 Q CA 1.576 57.368 55.803 -0.019 0.000 0.906 352 Q CB -0.357 28.366 28.738 -0.024 0.000 0.918 352 Q HN 0.562 nan 8.270 nan 0.000 0.427 353 I N 1.157 121.715 120.570 -0.019 0.000 3.444 353 I HA -0.168 4.002 4.170 -0.000 0.000 0.287 353 I C 2.272 178.382 176.117 -0.012 0.000 1.302 353 I CA 0.550 61.839 61.300 -0.019 0.000 1.368 353 I CB -0.532 37.457 38.000 -0.018 0.000 1.048 353 I HN 0.322 nan 8.210 nan 0.000 0.487 354 E N 1.405 121.598 120.200 -0.010 0.000 2.106 354 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 354 E C 1.551 178.148 176.600 -0.006 0.000 0.984 354 E CA 1.118 57.514 56.400 -0.007 0.000 0.806 354 E CB -0.198 29.498 29.700 -0.007 0.000 0.750 354 E HN 0.372 nan 8.360 nan 0.000 0.458 355 E N 1.466 121.661 120.200 -0.007 0.000 2.086 355 E HA -0.148 4.202 4.350 -0.000 0.000 0.200 355 E C 1.426 178.025 176.600 -0.001 0.000 1.012 355 E CA 1.730 58.127 56.400 -0.005 0.000 0.812 355 E CB -0.571 29.124 29.700 -0.007 0.000 0.743 355 E HN 0.495 nan 8.360 nan 0.000 0.453 356 A N -0.228 122.590 122.820 -0.003 0.000 2.723 356 A HA -0.313 4.007 4.320 -0.000 0.000 0.305 356 A C 1.349 178.938 177.584 0.010 0.000 1.513 356 A CA 1.464 53.503 52.037 0.002 0.000 0.925 356 A CB -2.396 16.606 19.000 0.002 0.000 0.956 356 A HN 0.269 nan 8.150 nan 0.000 0.508 357 T N -0.422 114.138 114.554 0.010 0.000 3.320 357 T HA 0.320 4.670 4.350 -0.000 0.000 0.258 357 T C 0.485 175.202 174.700 0.028 0.000 1.176 357 T CA 1.362 63.471 62.100 0.016 0.000 1.037 357 T CB -0.506 68.370 68.868 0.013 0.000 0.958 357 T HN 1.555 nan 8.240 nan 0.000 0.545 358 S N -0.214 115.507 115.700 0.035 0.000 2.678 358 S HA 0.143 4.613 4.470 -0.000 0.000 0.290 358 S C -1.309 173.330 174.600 0.066 0.000 1.047 358 S CA -0.796 57.440 58.200 0.059 0.000 0.851 358 S CB 0.684 63.941 63.200 0.095 0.000 1.058 358 S HN 0.064 nan 8.310 nan 0.000 0.451 359 D N 1.562 122.009 120.400 0.079 0.000 2.352 359 D HA 0.155 4.795 4.640 -0.000 0.000 0.232 359 D C 0.681 177.059 176.300 0.130 0.000 1.055 359 D CA 0.508 54.554 54.000 0.076 0.000 0.891 359 D CB 0.042 40.879 40.800 0.061 0.000 0.897 359 D HN 0.498 nan 8.370 nan 0.000 0.529 360 Y N 0.435 120.732 120.300 -0.005 0.000 2.559 360 Y HA 0.103 4.653 4.550 -0.000 0.000 0.279 360 Y C 0.997 176.888 175.900 -0.015 0.000 1.117 360 Y CA 0.645 58.740 58.100 -0.007 0.000 1.263 360 Y CB 0.372 38.828 38.460 -0.007 0.000 1.230 360 Y HN -0.205 nan 8.280 nan 0.000 0.528 361 D N -0.177 120.226 120.400 0.004 0.000 2.162 361 D HA -0.036 4.604 4.640 -0.000 0.000 0.203 361 D C 2.056 178.305 176.300 -0.084 0.000 0.967 361 D CA 1.015 54.961 54.000 -0.090 0.000 0.840 361 D CB -0.130 40.665 40.800 -0.008 0.000 0.972 361 D HN 0.184 nan 8.370 nan 0.000 0.482 362 R N 0.628 121.108 120.500 -0.033 0.000 2.090 362 R HA -0.068 4.272 4.340 -0.000 0.000 0.228 362 R C 2.006 178.281 176.300 -0.041 0.000 1.110 362 R CA 0.952 57.035 56.100 -0.027 0.000 0.973 362 R CB 0.092 30.390 30.300 -0.003 0.000 0.869 362 R HN 0.183 nan 8.270 nan 0.000 0.440 363 E N 0.323 120.498 120.200 -0.042 0.000 2.072 363 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 363 E C 1.548 178.087 176.600 -0.100 0.000 0.985 363 E CA 1.197 57.569 56.400 -0.045 0.000 0.801 363 E CB 0.196 29.893 29.700 -0.005 0.000 0.750 363 E HN 0.005 nan 8.360 nan 0.000 0.452 364 K N 0.725 121.008 120.400 -0.195 0.000 1.965 364 K HA -0.086 4.234 4.320 -0.000 0.000 0.214 364 K C 2.158 178.676 176.600 -0.138 0.000 1.046 364 K CA 1.354 57.501 56.287 -0.233 0.000 0.944 364 K CB -0.722 31.548 32.500 -0.383 0.000 0.726 364 K HN 0.115 nan 8.250 nan 0.000 0.441 365 L N 0.704 121.855 121.223 -0.120 0.000 2.054 365 L HA -0.359 3.981 4.340 -0.000 0.000 0.220 365 L C 2.613 179.449 176.870 -0.057 0.000 1.081 365 L CA 1.689 56.481 54.840 -0.078 0.000 0.780 365 L CB -0.650 41.372 42.059 -0.061 0.000 0.893 365 L HN 0.338 nan 8.230 nan 0.000 0.438 366 Q N 0.541 120.309 119.800 -0.052 0.000 1.956 366 Q HA -0.252 4.088 4.340 -0.000 0.000 0.208 366 Q C 1.959 177.941 176.000 -0.030 0.000 0.998 366 Q CA 2.192 57.974 55.803 -0.034 0.000 0.855 366 Q CB -0.243 28.478 28.738 -0.028 0.000 0.928 366 Q HN 0.452 nan 8.270 nan 0.000 0.418 367 E N -0.284 119.894 120.200 -0.036 0.000 2.086 367 E HA -0.310 4.040 4.350 -0.000 0.000 0.205 367 E C 2.146 178.735 176.600 -0.019 0.000 1.027 367 E CA 1.706 58.091 56.400 -0.025 0.000 0.830 367 E CB -0.280 29.401 29.700 -0.033 0.000 0.751 367 E HN 0.288 nan 8.360 nan 0.000 0.456 368 R N 0.382 120.863 120.500 -0.032 0.000 2.094 368 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 368 R C 2.533 178.826 176.300 -0.012 0.000 1.137 368 R CA 1.732 57.818 56.100 -0.022 0.000 0.943 368 R CB -0.812 29.465 30.300 -0.037 0.000 0.850 368 R HN 0.078 nan 8.270 nan 0.000 0.433 369 V N 1.297 121.200 119.914 -0.018 0.000 2.317 369 V HA -0.349 3.771 4.120 -0.000 0.000 0.251 369 V C 2.482 178.572 176.094 -0.006 0.000 1.065 369 V CA 2.085 64.378 62.300 -0.012 0.000 1.049 369 V CB -0.990 30.825 31.823 -0.014 0.000 0.651 369 V HN 0.497 nan 8.190 nan 0.000 0.450 370 A N -0.189 122.628 122.820 -0.005 0.000 1.834 370 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 370 A C 2.276 179.864 177.584 0.006 0.000 1.203 370 A CA 1.995 54.032 52.037 -0.000 0.000 0.621 370 A CB -0.636 18.364 19.000 0.000 0.000 0.841 370 A HN 0.407 nan 8.150 nan 0.000 0.446 371 K N -0.757 119.651 120.400 0.014 0.000 2.049 371 K HA -0.243 4.077 4.320 -0.000 0.000 0.219 371 K C 1.919 178.532 176.600 0.022 0.000 1.056 371 K CA 1.859 58.162 56.287 0.026 0.000 0.946 371 K CB -1.191 31.337 32.500 0.048 0.000 0.723 371 K HN 0.425 nan 8.250 nan 0.000 0.453 372 L N 0.293 121.527 121.223 0.018 0.000 1.961 372 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 372 L C 2.304 179.178 176.870 0.006 0.000 1.075 372 L CA 2.347 57.195 54.840 0.014 0.000 0.749 372 L CB -0.994 41.071 42.059 0.010 0.000 0.890 372 L HN 0.225 nan 8.230 nan 0.000 0.433 373 A N -0.934 121.887 122.820 0.002 0.000 1.840 373 A HA 0.056 4.376 4.320 -0.000 0.000 0.214 373 A C 2.345 179.928 177.584 -0.002 0.000 1.198 373 A CA 1.435 53.471 52.037 -0.001 0.000 0.608 373 A CB -1.708 17.291 19.000 -0.003 0.000 0.839 373 A HN 0.583 nan 8.150 nan 0.000 0.443 374 G N -0.388 108.404 108.800 -0.013 0.000 3.202 374 G HA2 0.028 3.988 3.960 -0.000 0.000 0.271 374 G HA3 0.028 3.988 3.960 -0.000 0.000 0.271 374 G C 1.599 176.497 174.900 -0.004 0.000 1.078 374 G CA 2.009 47.103 45.100 -0.009 0.000 0.797 374 G HN 2.216 nan 8.290 nan 0.000 0.698 375 G N -2.812 105.988 108.800 -0.001 0.000 2.781 375 G HA2 0.195 4.155 3.960 -0.000 0.000 0.683 375 G HA3 0.195 4.155 3.960 -0.000 0.000 0.683 375 G C -0.696 174.206 174.900 0.003 0.000 1.390 375 G CA -0.288 44.813 45.100 0.001 0.000 0.850 375 G HN 1.292 nan 8.290 nan 0.000 0.557 376 V N 0.995 120.910 119.914 0.002 0.000 2.487 376 V HA 0.754 4.874 4.120 -0.000 0.000 0.298 376 V C 0.875 176.966 176.094 -0.005 0.000 1.028 376 V CA -0.044 62.256 62.300 -0.000 0.000 0.860 376 V CB 1.294 33.118 31.823 0.001 0.000 0.991 376 V HN 2.030 nan 8.190 nan 0.000 0.427 377 A N 4.813 127.628 122.820 -0.008 0.000 2.327 377 A HA 0.840 5.160 4.320 -0.000 0.000 0.283 377 A C -0.173 177.403 177.584 -0.014 0.000 1.127 377 A CA -0.318 51.713 52.037 -0.010 0.000 0.810 377 A CB 1.107 20.100 19.000 -0.010 0.000 1.066 377 A HN 1.426 nan 8.150 nan 0.000 0.492 378 V N 0.228 120.134 119.914 -0.014 0.000 3.074 378 V HA 0.874 4.994 4.120 -0.000 0.000 0.314 378 V C -0.519 175.565 176.094 -0.016 0.000 1.117 378 V CA -0.884 61.406 62.300 -0.017 0.000 1.014 378 V CB 1.578 33.391 31.823 -0.016 0.000 1.057 378 V HN 0.745 nan 8.190 nan 0.000 0.438 379 I N 1.108 121.667 120.570 -0.018 0.000 2.865 379 I HA 0.582 4.752 4.170 -0.000 0.000 0.302 379 I C -0.664 175.444 176.117 -0.015 0.000 1.140 379 I CA -0.828 60.463 61.300 -0.016 0.000 1.021 379 I CB 2.750 40.740 38.000 -0.017 0.000 1.233 379 I HN 0.641 nan 8.210 nan 0.000 0.427 380 K N 4.301 124.693 120.400 -0.013 0.000 2.621 380 K HA 0.388 4.708 4.320 -0.000 0.000 0.233 380 K C -1.136 175.458 176.600 -0.010 0.000 0.972 380 K CA -0.609 55.671 56.287 -0.012 0.000 0.988 380 K CB 2.060 34.553 32.500 -0.011 0.000 1.187 380 K HN 0.279 nan 8.250 nan 0.000 0.471 381 V N 2.593 122.501 119.914 -0.010 0.000 2.452 381 V HA -0.010 4.110 4.120 -0.000 0.000 0.286 381 V C 1.076 177.165 176.094 -0.008 0.000 0.995 381 V CA 0.094 62.389 62.300 -0.009 0.000 1.116 381 V CB 0.082 31.900 31.823 -0.008 0.000 0.954 381 V HN 0.820 nan 8.190 nan 0.000 0.473 382 G N 3.511 112.307 108.800 -0.007 0.000 2.476 382 G HA2 0.732 4.692 3.960 -0.000 0.000 0.286 382 G HA3 0.732 4.692 3.960 -0.000 0.000 0.286 382 G C -0.314 174.582 174.900 -0.006 0.000 1.177 382 G CA 0.208 45.304 45.100 -0.006 0.000 0.870 382 G HN 1.340 nan 8.290 nan 0.000 0.528 383 A N -0.584 122.233 122.820 -0.005 0.000 2.583 383 A HA 0.763 5.083 4.320 -0.000 0.000 0.292 383 A C 0.561 178.143 177.584 -0.005 0.000 1.045 383 A CA 0.388 52.422 52.037 -0.005 0.000 0.672 383 A CB 0.477 19.474 19.000 -0.005 0.000 1.283 383 A HN 1.797 nan 8.150 nan 0.000 0.419 384 A N 0.194 123.011 122.820 -0.004 0.000 1.823 384 A HA 0.396 4.716 4.320 -0.000 0.000 0.214 384 A C 1.531 179.113 177.584 -0.004 0.000 1.225 384 A CA 2.245 54.279 52.037 -0.004 0.000 0.604 384 A CB -0.979 18.019 19.000 -0.004 0.000 0.878 384 A HN 1.860 nan 8.150 nan 0.000 0.450 385 T N -1.489 113.063 114.554 -0.004 0.000 2.899 385 T HA 0.242 4.592 4.350 -0.000 0.000 0.284 385 T C 0.901 175.598 174.700 -0.005 0.000 1.004 385 T CA 0.267 62.365 62.100 -0.004 0.000 1.043 385 T CB 1.220 70.086 68.868 -0.004 0.000 1.013 385 T HN 0.467 nan 8.240 nan 0.000 0.518 386 E N 1.726 121.923 120.200 -0.005 0.000 2.204 386 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 386 E C 1.794 178.391 176.600 -0.005 0.000 0.989 386 E CA 0.828 57.224 56.400 -0.006 0.000 0.824 386 E CB 0.027 29.724 29.700 -0.006 0.000 0.756 386 E HN 0.573 nan 8.360 nan 0.000 0.477 387 V N 1.369 121.280 119.914 -0.005 0.000 2.216 387 V HA -0.280 3.840 4.120 -0.000 0.000 0.243 387 V C 2.465 178.557 176.094 -0.004 0.000 1.044 387 V CA 2.293 64.591 62.300 -0.004 0.000 0.995 387 V CB -0.840 30.981 31.823 -0.004 0.000 0.633 387 V HN 0.405 nan 8.190 nan 0.000 0.446 388 E N -0.373 119.825 120.200 -0.004 0.000 2.114 388 E HA -0.318 4.032 4.350 -0.000 0.000 0.199 388 E C 2.193 178.791 176.600 -0.003 0.000 1.008 388 E CA 1.976 58.374 56.400 -0.003 0.000 0.810 388 E CB -0.194 29.504 29.700 -0.003 0.000 0.739 388 E HN 0.417 nan 8.360 nan 0.000 0.456 389 M N 1.318 120.915 119.600 -0.004 0.000 2.882 389 M HA -0.242 4.238 4.480 -0.000 0.000 0.276 389 M C 1.964 178.261 176.300 -0.005 0.000 1.060 389 M CA 2.096 57.393 55.300 -0.005 0.000 1.072 389 M CB -0.703 31.894 32.600 -0.006 0.000 1.214 389 M HN 0.014 nan 8.290 nan 0.000 0.521 390 K N -0.311 120.086 120.400 -0.005 0.000 2.281 390 K HA -0.195 4.125 4.320 -0.000 0.000 0.203 390 K C 1.946 178.545 176.600 -0.002 0.000 1.046 390 K CA 1.232 57.517 56.287 -0.004 0.000 0.938 390 K CB -0.243 32.254 32.500 -0.005 0.000 0.737 390 K HN 0.426 nan 8.250 nan 0.000 0.458 391 E N 2.034 122.232 120.200 -0.002 0.000 2.015 391 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 391 E C 1.911 178.511 176.600 0.000 0.000 0.991 391 E CA 1.387 57.786 56.400 -0.001 0.000 0.802 391 E CB 0.010 29.709 29.700 -0.001 0.000 0.759 391 E HN 0.165 nan 8.360 nan 0.000 0.447 392 K N 1.049 121.449 120.400 -0.001 0.000 2.034 392 K HA -0.243 4.077 4.320 -0.000 0.000 0.214 392 K C 2.364 178.964 176.600 -0.000 0.000 1.051 392 K CA 2.243 58.529 56.287 -0.001 0.000 0.931 392 K CB -0.279 32.220 32.500 -0.002 0.000 0.715 392 K HN -0.022 nan 8.250 nan 0.000 0.446 393 K N 0.038 120.436 120.400 -0.002 0.000 2.144 393 K HA -0.245 4.075 4.320 -0.000 0.000 0.209 393 K C 1.834 178.435 176.600 0.001 0.000 1.047 393 K CA 1.520 57.805 56.287 -0.003 0.000 0.927 393 K CB -0.237 32.260 32.500 -0.005 0.000 0.716 393 K HN 0.315 nan 8.250 nan 0.000 0.454 394 A N 1.399 124.222 122.820 0.005 0.000 1.835 394 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 394 A C 2.075 179.669 177.584 0.018 0.000 1.199 394 A CA 1.696 53.741 52.037 0.012 0.000 0.615 394 A CB -0.639 18.367 19.000 0.011 0.000 0.838 394 A HN 0.386 nan 8.150 nan 0.000 0.444 395 R N -0.561 119.947 120.500 0.014 0.000 2.153 395 R HA -0.165 4.175 4.340 -0.000 0.000 0.252 395 R C 1.958 178.268 176.300 0.018 0.000 1.158 395 R CA 1.608 57.718 56.100 0.016 0.000 0.975 395 R CB -0.797 29.508 30.300 0.008 0.000 0.871 395 R HN 0.432 nan 8.270 nan 0.000 0.450 396 V N 1.068 120.987 119.914 0.009 0.000 2.237 396 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 396 V C 1.969 178.063 176.094 0.000 0.000 1.046 396 V CA 2.115 64.416 62.300 0.002 0.000 1.007 396 V CB -0.551 31.268 31.823 -0.006 0.000 0.638 396 V HN 0.375 nan 8.190 nan 0.000 0.445 397 E N 0.077 120.277 120.200 -0.000 0.000 2.171 397 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 397 E C 1.858 178.482 176.600 0.041 0.000 0.997 397 E CA 1.499 57.889 56.400 -0.016 0.000 0.810 397 E CB -0.248 29.453 29.700 0.001 0.000 0.738 397 E HN 0.638 nan 8.360 nan 0.000 0.467 398 D N 0.665 121.119 120.400 0.090 0.000 2.088 398 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 398 D C 2.004 178.380 176.300 0.126 0.000 0.983 398 D CA 1.555 55.643 54.000 0.146 0.000 0.846 398 D CB -0.715 40.131 40.800 0.076 0.000 0.992 398 D HN 0.155 nan 8.370 nan 0.000 0.448 399 A N 1.272 124.130 122.820 0.062 0.000 1.894 399 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 399 A C 2.354 179.962 177.584 0.040 0.000 1.237 399 A CA 2.162 54.225 52.037 0.043 0.000 0.660 399 A CB -1.313 17.699 19.000 0.021 0.000 0.835 399 A HN 0.365 nan 8.150 nan 0.000 0.461 400 L N -1.464 119.762 121.223 0.004 0.000 2.034 400 L HA -0.335 4.005 4.340 -0.000 0.000 0.217 400 L C 2.596 179.452 176.870 -0.022 0.000 1.077 400 L CA 2.435 57.253 54.840 -0.036 0.000 0.769 400 L CB -0.539 41.462 42.059 -0.096 0.000 0.890 400 L HN 0.586 nan 8.230 nan 0.000 0.435 401 H N -0.183 118.890 119.070 0.004 0.000 2.650 401 H HA -0.241 4.315 4.556 -0.000 0.000 0.297 401 H C 2.179 177.512 175.328 0.007 0.000 1.038 401 H CA 1.799 57.852 56.048 0.007 0.000 1.103 401 H CB -0.831 28.936 29.762 0.007 0.000 1.451 401 H HN 0.559 nan 8.280 nan 0.000 0.680 402 A N 0.322 123.248 122.820 0.177 0.000 1.957 402 A HA -0.325 3.995 4.320 -0.000 0.000 0.224 402 A C 2.685 180.305 177.584 0.061 0.000 1.287 402 A CA 3.305 55.394 52.037 0.086 0.000 0.682 402 A CB -1.422 17.613 19.000 0.058 0.000 0.833 402 A HN 0.621 nan 8.150 nan 0.000 0.482 403 T N -0.712 113.873 114.554 0.051 0.000 2.622 403 T HA -0.193 4.157 4.350 -0.000 0.000 0.266 403 T C 2.012 176.730 174.700 0.030 0.000 1.047 403 T CA 1.607 63.725 62.100 0.031 0.000 1.159 403 T CB -0.298 68.581 68.868 0.018 0.000 0.863 403 T HN 0.579 nan 8.240 nan 0.000 0.422 404 R N 0.883 121.402 120.500 0.032 0.000 2.103 404 R HA -0.109 4.231 4.340 -0.000 0.000 0.242 404 R C 2.809 179.133 176.300 0.039 0.000 1.142 404 R CA 1.475 57.593 56.100 0.030 0.000 0.960 404 R CB -0.596 29.721 30.300 0.029 0.000 0.858 404 R HN 0.410 nan 8.270 nan 0.000 0.439 405 A N 1.155 124.008 122.820 0.054 0.000 1.858 405 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 405 A C 2.416 180.018 177.584 0.031 0.000 1.190 405 A CA 1.700 53.764 52.037 0.046 0.000 0.617 405 A CB -0.846 18.186 19.000 0.052 0.000 0.827 405 A HN 0.415 nan 8.150 nan 0.000 0.443 406 A N -0.505 122.333 122.820 0.030 0.000 1.927 406 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 406 A C 2.266 179.862 177.584 0.019 0.000 1.185 406 A CA 2.183 54.233 52.037 0.022 0.000 0.639 406 A CB -1.135 17.878 19.000 0.021 0.000 0.820 406 A HN 0.441 nan 8.150 nan 0.000 0.451 407 V N 0.047 119.973 119.914 0.020 0.000 2.223 407 V HA -0.307 3.813 4.120 -0.000 0.000 0.244 407 V C 2.413 178.518 176.094 0.018 0.000 1.045 407 V CA 2.355 64.666 62.300 0.018 0.000 1.000 407 V CB -1.105 30.729 31.823 0.017 0.000 0.635 407 V HN 0.676 nan 8.190 nan 0.000 0.445 408 E N 0.230 120.443 120.200 0.021 0.000 2.048 408 E HA -0.268 4.082 4.350 -0.000 0.000 0.202 408 E C 1.624 178.234 176.600 0.016 0.000 1.021 408 E CA 1.921 58.334 56.400 0.021 0.000 0.825 408 E CB -0.162 29.552 29.700 0.024 0.000 0.756 408 E HN 0.710 nan 8.360 nan 0.000 0.454 409 E N -0.374 119.835 120.200 0.015 0.000 2.693 409 E HA 0.261 4.611 4.350 -0.000 0.000 0.214 409 E C 0.380 176.986 176.600 0.010 0.000 0.990 409 E CA 0.102 56.508 56.400 0.010 0.000 1.047 409 E CB 1.348 31.052 29.700 0.006 0.000 1.039 409 E HN 0.275 nan 8.360 nan 0.000 0.475 410 G N 1.407 110.215 108.800 0.013 0.000 2.698 410 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.233 410 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.233 410 G C -0.134 174.774 174.900 0.013 0.000 1.352 410 G CA -0.283 44.825 45.100 0.013 0.000 0.879 410 G HN 0.569 nan 8.290 nan 0.000 0.567 411 V N -2.888 117.033 119.914 0.012 0.000 3.181 411 V HA 1.015 5.135 4.120 -0.000 0.000 0.308 411 V C 0.415 176.516 176.094 0.012 0.000 1.214 411 V CA 0.562 62.870 62.300 0.012 0.000 1.053 411 V CB 1.439 33.269 31.823 0.012 0.000 1.069 411 V HN 2.631 nan 8.190 nan 0.000 0.441 412 V N -1.881 118.040 119.914 0.011 0.000 3.181 412 V HA 1.005 5.125 4.120 -0.000 0.000 0.307 412 V C 0.344 176.444 176.094 0.010 0.000 1.310 412 V CA -0.760 61.548 62.300 0.012 0.000 1.067 412 V CB 1.056 32.886 31.823 0.012 0.000 1.081 412 V HN 2.498 nan 8.190 nan 0.000 0.453 413 A N 0.215 123.043 122.820 0.012 0.000 2.567 413 A HA 0.519 4.839 4.320 -0.000 0.000 0.240 413 A C 1.236 178.818 177.584 -0.003 0.000 1.053 413 A CA 0.610 52.651 52.037 0.006 0.000 0.755 413 A CB -0.194 18.813 19.000 0.011 0.000 0.978 413 A HN 2.202 nan 8.150 nan 0.000 0.507 414 G N 1.534 110.326 108.800 -0.013 0.000 3.233 414 G HA2 0.333 4.293 3.960 -0.000 0.000 0.234 414 G HA3 0.333 4.293 3.960 -0.000 0.000 0.234 414 G C 0.791 175.675 174.900 -0.027 0.000 1.137 414 G CA 0.676 45.765 45.100 -0.018 0.000 0.763 414 G HN 1.164 nan 8.290 nan 0.000 0.549 415 G N -0.129 108.649 108.800 -0.036 0.000 3.379 415 G HA2 0.406 4.366 3.960 -0.000 0.000 0.253 415 G HA3 0.406 4.366 3.960 -0.000 0.000 0.253 415 G C 1.222 176.110 174.900 -0.020 0.000 1.262 415 G CA 0.242 45.315 45.100 -0.045 0.000 0.959 415 G HN 1.165 nan 8.290 nan 0.000 0.524 416 G N -1.044 107.750 108.800 -0.011 0.000 2.176 416 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.253 416 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.253 416 G C 1.348 176.251 174.900 0.006 0.000 0.979 416 G CA 0.552 45.653 45.100 0.000 0.000 0.641 416 G HN 0.614 nan 8.290 nan 0.000 0.530 417 V N 1.161 121.075 119.914 0.001 0.000 2.231 417 V HA -0.080 4.040 4.120 -0.000 0.000 0.248 417 V C 3.356 179.458 176.094 0.015 0.000 1.054 417 V CA 3.272 65.576 62.300 0.006 0.000 1.015 417 V CB -1.675 30.145 31.823 -0.005 0.000 0.638 417 V HN 1.317 nan 8.190 nan 0.000 0.444 418 A N 0.431 123.258 122.820 0.012 0.000 1.909 418 A HA -0.262 4.058 4.320 -0.000 0.000 0.221 418 A C 2.224 179.818 177.584 0.016 0.000 1.223 418 A CA 2.580 54.626 52.037 0.015 0.000 0.658 418 A CB -0.809 18.197 19.000 0.010 0.000 0.831 418 A HN 0.436 nan 8.150 nan 0.000 0.462 419 L N -0.670 120.561 121.223 0.013 0.000 1.989 419 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 419 L C 2.662 179.543 176.870 0.018 0.000 1.071 419 L CA 1.612 56.461 54.840 0.014 0.000 0.749 419 L CB -1.389 40.677 42.059 0.012 0.000 0.890 419 L HN 0.352 nan 8.230 nan 0.000 0.431 420 I N -0.117 120.466 120.570 0.021 0.000 2.113 420 I HA -0.349 3.821 4.170 -0.000 0.000 0.242 420 I C 2.754 178.889 176.117 0.030 0.000 1.064 420 I CA 1.396 62.711 61.300 0.026 0.000 1.320 420 I CB -0.995 37.024 38.000 0.031 0.000 1.028 420 I HN 0.305 nan 8.210 nan 0.000 0.406 421 R N 1.329 121.849 120.500 0.033 0.000 2.171 421 R HA -0.204 4.136 4.340 -0.000 0.000 0.226 421 R C 2.394 178.712 176.300 0.030 0.000 1.113 421 R CA 3.000 59.123 56.100 0.039 0.000 0.887 421 R CB -1.079 29.245 30.300 0.041 0.000 0.830 421 R HN 0.320 nan 8.270 nan 0.000 0.432 422 V N -1.008 118.920 119.914 0.024 0.000 2.311 422 V HA -0.312 3.808 4.120 -0.000 0.000 0.256 422 V C 2.184 178.288 176.094 0.017 0.000 1.077 422 V CA 2.319 64.630 62.300 0.018 0.000 1.067 422 V CB -1.726 30.105 31.823 0.013 0.000 0.659 422 V HN 0.521 nan 8.190 nan 0.000 0.451 423 A N 1.708 124.539 122.820 0.017 0.000 1.851 423 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 423 A C 2.667 180.261 177.584 0.017 0.000 1.195 423 A CA 3.459 55.505 52.037 0.016 0.000 0.622 423 A CB -1.414 17.596 19.000 0.016 0.000 0.831 423 A HN 1.179 nan 8.150 nan 0.000 0.444 424 S N -0.313 115.399 115.700 0.021 0.000 2.420 424 S HA -0.219 4.251 4.470 -0.000 0.000 0.237 424 S C 1.862 176.474 174.600 0.019 0.000 1.023 424 S CA 1.464 59.677 58.200 0.021 0.000 0.991 424 S CB -0.323 62.894 63.200 0.028 0.000 0.792 424 S HN 0.453 nan 8.310 nan 0.000 0.488 425 K N 2.275 122.686 120.400 0.019 0.000 1.968 425 K HA -0.003 4.317 4.320 -0.000 0.000 0.222 425 K C 1.517 178.125 176.600 0.012 0.000 1.043 425 K CA 1.298 57.595 56.287 0.016 0.000 0.991 425 K CB -1.295 31.215 32.500 0.016 0.000 0.744 425 K HN 0.684 nan 8.250 nan 0.000 0.445 426 L N 0.082 121.311 121.223 0.011 0.000 2.436 426 L HA 0.255 4.595 4.340 -0.000 0.000 0.244 426 L C 0.971 177.846 176.870 0.008 0.000 1.396 426 L CA -0.168 54.677 54.840 0.008 0.000 1.217 426 L CB -0.356 41.708 42.059 0.007 0.000 1.420 426 L HN 0.022 nan 8.230 nan 0.000 0.434 427 A N -0.127 122.698 122.820 0.009 0.000 2.238 427 A HA 0.071 4.391 4.320 -0.000 0.000 0.210 427 A C 1.585 179.173 177.584 0.007 0.000 1.179 427 A CA 0.193 52.235 52.037 0.008 0.000 0.827 427 A CB -0.006 19.000 19.000 0.010 0.000 0.856 427 A HN 0.626 nan 8.150 nan 0.000 0.488 428 D N -0.793 119.611 120.400 0.006 0.000 2.338 428 D HA 0.039 4.679 4.640 -0.000 0.000 0.224 428 D C 0.570 176.872 176.300 0.004 0.000 0.967 428 D CA -0.052 53.951 54.000 0.005 0.000 0.896 428 D CB -0.258 40.545 40.800 0.004 0.000 1.028 428 D HN 0.273 nan 8.370 nan 0.000 0.493 429 L N 2.926 124.152 121.223 0.004 0.000 3.544 429 L HA -0.223 4.117 4.340 -0.000 0.000 0.404 429 L C 0.070 176.942 176.870 0.004 0.000 1.080 429 L CA 0.810 55.653 54.840 0.004 0.000 0.763 429 L CB -0.120 41.942 42.059 0.004 0.000 1.168 429 L HN -0.066 nan 8.230 nan 0.000 0.723 430 R N 3.697 124.199 120.500 0.003 0.000 2.902 430 R HA 0.863 5.203 4.340 -0.000 0.000 0.258 430 R C 0.067 176.369 176.300 0.003 0.000 1.071 430 R CA -0.302 55.800 56.100 0.003 0.000 1.024 430 R CB 1.428 31.730 30.300 0.003 0.000 1.184 430 R HN 0.773 nan 8.270 nan 0.000 0.492 431 G N -0.114 108.687 108.800 0.003 0.000 2.630 431 G HA2 0.372 4.332 3.960 -0.000 0.000 0.296 431 G HA3 0.372 4.332 3.960 -0.000 0.000 0.296 431 G C -0.196 174.705 174.900 0.002 0.000 1.285 431 G CA -0.371 44.731 45.100 0.003 0.000 0.958 431 G HN 0.263 nan 8.290 nan 0.000 0.479 432 Q N 0.222 120.023 119.800 0.002 0.000 1.856 432 Q HA -0.051 4.289 4.340 -0.000 0.000 0.228 432 Q C 1.427 177.428 176.000 0.002 0.000 0.987 432 Q CA 0.937 56.742 55.803 0.002 0.000 0.873 432 Q CB -0.544 28.195 28.738 0.002 0.000 0.928 432 Q HN 0.686 nan 8.270 nan 0.000 0.425 433 N N 0.940 119.642 118.700 0.002 0.000 2.407 433 N HA -0.119 4.621 4.740 -0.000 0.000 0.250 433 N C 0.730 176.241 175.510 0.002 0.000 1.236 433 N CA -0.000 53.051 53.050 0.002 0.000 0.879 433 N CB 0.470 38.959 38.487 0.003 0.000 1.088 433 N HN 0.339 nan 8.380 nan 0.000 0.450 434 E N 2.336 122.538 120.200 0.002 0.000 2.160 434 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 434 E C 0.296 176.898 176.600 0.003 0.000 0.991 434 E CA 1.251 57.653 56.400 0.002 0.000 0.810 434 E CB 0.127 29.828 29.700 0.002 0.000 0.742 434 E HN 0.631 nan 8.360 nan 0.000 0.466 435 D N 0.307 120.708 120.400 0.003 0.000 2.351 435 D HA -0.135 4.505 4.640 -0.000 0.000 0.216 435 D C 1.545 177.847 176.300 0.004 0.000 0.968 435 D CA 0.803 54.805 54.000 0.003 0.000 0.899 435 D CB 0.065 40.866 40.800 0.003 0.000 0.907 435 D HN 0.464 nan 8.370 nan 0.000 0.514 436 Q N -0.269 119.533 119.800 0.003 0.000 2.297 436 Q HA 0.032 4.372 4.340 -0.000 0.000 0.203 436 Q C 1.698 177.700 176.000 0.004 0.000 0.931 436 Q CA 0.139 55.944 55.803 0.004 0.000 0.885 436 Q CB 0.223 28.963 28.738 0.003 0.000 0.991 436 Q HN 0.192 nan 8.270 nan 0.000 0.498 437 N N 0.793 119.495 118.700 0.003 0.000 2.039 437 N HA -0.136 4.604 4.740 -0.000 0.000 0.193 437 N C 2.055 177.567 175.510 0.004 0.000 1.044 437 N CA 1.470 54.522 53.050 0.004 0.000 0.847 437 N CB -0.446 38.042 38.487 0.003 0.000 1.030 437 N HN 0.037 nan 8.380 nan 0.000 0.422 438 V N 1.355 121.272 119.914 0.004 0.000 2.282 438 V HA -0.216 3.904 4.120 -0.000 0.000 0.249 438 V C 2.593 178.689 176.094 0.005 0.000 1.057 438 V CA 2.126 64.429 62.300 0.004 0.000 1.032 438 V CB -1.581 30.244 31.823 0.004 0.000 0.645 438 V HN 0.359 nan 8.190 nan 0.000 0.447 439 G N 0.300 109.103 108.800 0.005 0.000 2.513 439 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 439 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 439 G C 1.530 176.433 174.900 0.006 0.000 1.160 439 G CA 1.533 46.636 45.100 0.005 0.000 0.767 439 G HN 0.540 nan 8.290 nan 0.000 0.571 440 I N 0.093 120.666 120.570 0.005 0.000 2.202 440 I HA -0.109 4.061 4.170 -0.000 0.000 0.242 440 I C 2.780 178.901 176.117 0.006 0.000 1.091 440 I CA 1.263 62.566 61.300 0.005 0.000 1.368 440 I CB -0.277 37.726 38.000 0.005 0.000 1.058 440 I HN 0.021 nan 8.210 nan 0.000 0.410 441 K N 1.095 121.499 120.400 0.006 0.000 1.988 441 K HA -0.179 4.141 4.320 -0.000 0.000 0.221 441 K C 1.955 178.559 176.600 0.007 0.000 1.053 441 K CA 1.703 57.994 56.287 0.006 0.000 0.959 441 K CB -1.030 31.473 32.500 0.005 0.000 0.728 441 K HN 0.049 nan 8.250 nan 0.000 0.447 442 V N 1.090 121.008 119.914 0.007 0.000 2.233 442 V HA -0.413 3.707 4.120 -0.000 0.000 0.256 442 V C 2.211 178.310 176.094 0.008 0.000 1.069 442 V CA 2.431 64.735 62.300 0.007 0.000 1.054 442 V CB -1.206 30.621 31.823 0.007 0.000 0.664 442 V HN 0.543 nan 8.190 nan 0.000 0.453 443 A N -0.361 122.464 122.820 0.008 0.000 1.870 443 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 443 A C 2.190 179.780 177.584 0.009 0.000 1.224 443 A CA 2.682 54.724 52.037 0.009 0.000 0.650 443 A CB -0.822 18.183 19.000 0.008 0.000 0.836 443 A HN 0.512 nan 8.150 nan 0.000 0.454 444 L N -1.347 119.881 121.223 0.008 0.000 1.956 444 L HA -0.264 4.076 4.340 -0.000 0.000 0.216 444 L C 2.850 179.726 176.870 0.010 0.000 1.073 444 L CA 2.185 57.030 54.840 0.009 0.000 0.762 444 L CB -0.598 41.467 42.059 0.009 0.000 0.889 444 L HN 0.531 nan 8.230 nan 0.000 0.433 445 R N 0.177 120.683 120.500 0.010 0.000 2.185 445 R HA -0.225 4.115 4.340 -0.000 0.000 0.247 445 R C 2.121 178.428 176.300 0.011 0.000 1.159 445 R CA 1.456 57.562 56.100 0.010 0.000 0.988 445 R CB -0.226 30.079 30.300 0.009 0.000 0.871 445 R HN 0.434 nan 8.270 nan 0.000 0.458 446 A N 0.488 123.314 122.820 0.011 0.000 2.015 446 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 446 A C 2.009 179.601 177.584 0.012 0.000 1.163 446 A CA 1.187 53.231 52.037 0.011 0.000 0.646 446 A CB -0.277 18.730 19.000 0.012 0.000 0.806 446 A HN 0.377 nan 8.150 nan 0.000 0.448 447 M N -0.713 118.895 119.600 0.012 0.000 2.557 447 M HA -0.047 4.433 4.480 -0.000 0.000 0.259 447 M C 1.386 177.694 176.300 0.014 0.000 1.086 447 M CA 0.860 56.168 55.300 0.013 0.000 1.096 447 M CB -0.262 32.345 32.600 0.012 0.000 1.424 447 M HN 0.415 nan 8.290 nan 0.000 0.488 448 E N 0.838 121.047 120.200 0.014 0.000 2.371 448 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 448 E C 2.120 178.729 176.600 0.015 0.000 1.012 448 E CA 0.471 56.880 56.400 0.016 0.000 0.860 448 E CB 0.038 29.747 29.700 0.016 0.000 0.811 448 E HN 0.503 nan 8.360 nan 0.000 0.502 449 A N 2.444 125.273 122.820 0.014 0.000 1.863 449 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 449 A C -0.334 177.258 177.584 0.013 0.000 1.233 449 A CA 1.731 53.775 52.037 0.013 0.000 0.655 449 A CB -1.750 17.257 19.000 0.012 0.000 0.839 449 A HN 0.130 nan 8.150 nan 0.000 0.454 450 P HA -0.205 nan 4.420 nan 0.000 0.214 450 P C 1.798 179.105 177.300 0.012 0.000 1.172 450 P CA 1.481 64.587 63.100 0.010 0.000 0.925 450 P CB -0.162 31.543 31.700 0.008 0.000 0.793 451 L N -0.292 120.941 121.223 0.016 0.000 1.963 451 L HA -0.231 4.109 4.340 -0.000 0.000 0.220 451 L C 2.389 179.277 176.870 0.031 0.000 1.076 451 L CA 2.039 56.894 54.840 0.026 0.000 0.772 451 L CB -1.105 40.974 42.059 0.032 0.000 0.892 451 L HN -0.202 nan 8.230 nan 0.000 0.435 452 R N -1.061 119.454 120.500 0.026 0.000 2.119 452 R HA -0.280 4.060 4.340 -0.000 0.000 0.246 452 R C 2.348 178.661 176.300 0.021 0.000 1.146 452 R CA 1.890 58.003 56.100 0.023 0.000 0.962 452 R CB -0.495 29.815 30.300 0.017 0.000 0.863 452 R HN 0.512 nan 8.270 nan 0.000 0.442 453 Q N 0.698 120.508 119.800 0.017 0.000 2.079 453 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 453 Q C 1.852 177.861 176.000 0.014 0.000 0.974 453 Q CA 1.487 57.298 55.803 0.013 0.000 0.840 453 Q CB -0.024 28.720 28.738 0.009 0.000 0.898 453 Q HN 0.217 nan 8.270 nan 0.000 0.430 454 I N -0.241 120.338 120.570 0.015 0.000 2.076 454 I HA -0.251 3.919 4.170 -0.000 0.000 0.237 454 I C 2.266 178.400 176.117 0.028 0.000 1.059 454 I CA 1.026 62.333 61.300 0.011 0.000 1.317 454 I CB -1.570 36.431 38.000 0.002 0.000 1.037 454 I HN 0.095 nan 8.210 nan 0.000 0.398 455 V N 1.179 121.128 119.914 0.057 0.000 2.250 455 V HA -0.323 3.797 4.120 -0.000 0.000 0.253 455 V C 2.650 178.774 176.094 0.050 0.000 1.065 455 V CA 2.157 64.509 62.300 0.087 0.000 1.039 455 V CB -0.883 30.985 31.823 0.074 0.000 0.647 455 V HN 0.358 nan 8.190 nan 0.000 0.446 456 L N 0.991 122.233 121.223 0.031 0.000 1.971 456 L HA -0.204 4.136 4.340 -0.000 0.000 0.215 456 L C 2.193 179.073 176.870 0.017 0.000 1.072 456 L CA 2.249 57.101 54.840 0.021 0.000 0.758 456 L CB -1.170 40.898 42.059 0.015 0.000 0.889 456 L HN 0.361 nan 8.230 nan 0.000 0.433 457 N N -0.996 117.712 118.700 0.014 0.000 2.348 457 N HA -0.171 4.569 4.740 -0.000 0.000 0.185 457 N C 1.594 177.108 175.510 0.008 0.000 1.019 457 N CA 1.550 54.605 53.050 0.008 0.000 0.880 457 N CB -0.750 37.738 38.487 0.002 0.000 0.965 457 N HN 0.462 nan 8.380 nan 0.000 0.437 458 C N -0.871 118.439 119.300 0.016 0.000 2.697 458 C HA 0.364 4.824 4.460 -0.000 0.000 0.267 458 C C 1.643 176.647 174.990 0.024 0.000 1.278 458 C CA 0.044 59.072 59.018 0.016 0.000 1.708 458 C CB -0.946 26.808 27.740 0.024 0.000 1.860 458 C HN 0.588 nan 8.230 nan 0.000 0.589 459 G N 1.280 110.093 108.800 0.022 0.000 2.143 459 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.248 459 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.248 459 G C -0.225 174.690 174.900 0.025 0.000 0.991 459 G CA 0.169 45.282 45.100 0.020 0.000 0.689 459 G HN 0.525 nan 8.290 nan 0.000 0.522 460 E N 0.171 120.392 120.200 0.035 0.000 2.239 460 E HA 0.395 4.745 4.350 -0.000 0.000 0.261 460 E C 0.108 176.716 176.600 0.014 0.000 1.016 460 E CA -0.847 55.573 56.400 0.033 0.000 0.882 460 E CB 0.638 30.378 29.700 0.066 0.000 1.190 460 E HN 0.228 nan 8.360 nan 0.000 0.415 461 E N 2.156 122.353 120.200 -0.006 0.000 2.292 461 E HA 0.050 4.400 4.350 -0.000 0.000 0.265 461 E C -1.735 174.853 176.600 -0.020 0.000 1.093 461 E CA -1.413 54.979 56.400 -0.013 0.000 0.922 461 E CB 0.631 30.319 29.700 -0.020 0.000 1.001 461 E HN 0.188 nan 8.360 nan 0.000 0.444 462 P HA -0.182 nan 4.420 nan 0.000 0.210 462 P C 1.553 178.849 177.300 -0.006 0.000 1.191 462 P CA 1.623 64.723 63.100 0.000 0.000 0.917 462 P CB 0.054 31.758 31.700 0.007 0.000 0.778 463 S N -0.503 115.195 115.700 -0.003 0.000 2.393 463 S HA -0.224 4.246 4.470 -0.000 0.000 0.234 463 S C 2.030 176.625 174.600 -0.008 0.000 1.064 463 S CA 2.226 60.425 58.200 -0.002 0.000 1.088 463 S CB -2.031 61.167 63.200 -0.002 0.000 0.939 463 S HN -0.068 nan 8.310 nan 0.000 0.448 464 V N 1.709 121.613 119.914 -0.017 0.000 2.237 464 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 464 V C 2.707 178.784 176.094 -0.027 0.000 1.046 464 V CA 1.773 64.059 62.300 -0.023 0.000 1.007 464 V CB -0.960 30.845 31.823 -0.029 0.000 0.638 464 V HN 0.477 nan 8.190 nan 0.000 0.445 465 V N 0.335 120.211 119.914 -0.065 0.000 2.231 465 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 465 V C 2.758 178.856 176.094 0.007 0.000 1.054 465 V CA 2.313 64.556 62.300 -0.096 0.000 1.015 465 V CB -1.357 30.314 31.823 -0.253 0.000 0.638 465 V HN 0.580 nan 8.190 nan 0.000 0.444 466 A N 0.601 123.425 122.820 0.006 0.000 1.881 466 A HA -0.414 3.906 4.320 -0.000 0.000 0.219 466 A C 2.030 179.633 177.584 0.033 0.000 1.215 466 A CA 2.938 54.991 52.037 0.027 0.000 0.648 466 A CB -1.175 17.836 19.000 0.018 0.000 0.832 466 A HN 0.720 nan 8.150 nan 0.000 0.455 467 N N -0.220 118.491 118.700 0.019 0.000 2.023 467 N HA -0.242 4.498 4.740 -0.000 0.000 0.200 467 N C 1.826 177.350 175.510 0.024 0.000 1.048 467 N CA 4.037 57.096 53.050 0.015 0.000 0.872 467 N CB -0.918 37.569 38.487 0.001 0.000 1.070 467 N HN 0.563 nan 8.380 nan 0.000 0.441 468 T N -2.192 112.367 114.554 0.009 0.000 2.869 468 T HA -0.117 4.233 4.350 -0.000 0.000 0.270 468 T C 1.919 176.661 174.700 0.069 0.000 1.082 468 T CA 1.669 63.761 62.100 -0.013 0.000 1.123 468 T CB -0.881 67.892 68.868 -0.158 0.000 0.856 468 T HN 0.081 nan 8.240 nan 0.000 0.499 469 V N 1.367 121.341 119.914 0.099 0.000 2.548 469 V HA -0.052 4.068 4.120 -0.000 0.000 0.249 469 V C 2.828 178.991 176.094 0.115 0.000 1.055 469 V CA 1.310 63.672 62.300 0.105 0.000 1.065 469 V CB -0.428 31.443 31.823 0.080 0.000 0.681 469 V HN 0.435 nan 8.190 nan 0.000 0.462 470 K N 0.903 121.352 120.400 0.082 0.000 2.057 470 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 470 K C 2.283 178.932 176.600 0.081 0.000 1.049 470 K CA 1.453 57.782 56.287 0.070 0.000 0.931 470 K CB -1.062 31.464 32.500 0.044 0.000 0.714 470 K HN 0.497 nan 8.250 nan 0.000 0.440 471 G N 1.708 110.555 108.800 0.079 0.000 2.628 471 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 471 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 471 G C 1.078 176.027 174.900 0.081 0.000 1.240 471 G CA 1.366 46.503 45.100 0.062 0.000 0.792 471 G HN 0.462 nan 8.290 nan 0.000 0.593 472 G N -0.648 108.260 108.800 0.180 0.000 2.597 472 G HA2 0.391 4.351 3.960 -0.000 0.000 0.283 472 G HA3 0.391 4.351 3.960 -0.000 0.000 0.283 472 G C -0.342 174.651 174.900 0.156 0.000 1.319 472 G CA 0.363 45.565 45.100 0.170 0.000 1.054 472 G HN 0.400 nan 8.290 nan 0.000 0.583 473 D N -2.278 118.206 120.400 0.139 0.000 2.744 473 D HA 0.508 5.148 4.640 -0.000 0.000 0.304 473 D C 0.817 177.196 176.300 0.131 0.000 1.179 473 D CA 0.525 54.588 54.000 0.105 0.000 1.024 473 D CB 1.146 41.973 40.800 0.045 0.000 1.453 473 D HN 0.961 nan 8.370 nan 0.000 0.529 474 G N 0.962 109.816 108.800 0.089 0.000 2.582 474 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.288 474 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.288 474 G C 0.183 175.146 174.900 0.104 0.000 1.247 474 G CA 0.064 45.214 45.100 0.084 0.000 0.972 474 G HN 0.545 nan 8.290 nan 0.000 0.557 475 N N 0.551 119.314 118.700 0.106 0.000 2.389 475 N HA 0.156 4.896 4.740 -0.000 0.000 0.237 475 N C -0.202 175.392 175.510 0.141 0.000 1.148 475 N CA 0.134 53.242 53.050 0.095 0.000 0.854 475 N CB 0.201 38.727 38.487 0.066 0.000 1.115 475 N HN 0.476 nan 8.380 nan 0.000 0.492 476 Y N 1.106 121.439 120.300 0.055 0.000 2.393 476 Y HA 0.503 5.053 4.550 -0.000 0.000 0.338 476 Y C 0.583 176.551 175.900 0.113 0.000 1.029 476 Y CA -0.500 57.648 58.100 0.079 0.000 1.239 476 Y CB 0.322 38.823 38.460 0.069 0.000 1.170 476 Y HN 0.105 nan 8.280 nan 0.000 0.515 477 G N 4.246 112.773 108.800 -0.455 0.000 2.870 477 G HA2 0.300 4.260 3.960 -0.000 0.000 0.299 477 G HA3 0.300 4.260 3.960 -0.000 0.000 0.299 477 G C -2.429 172.310 174.900 -0.269 0.000 1.324 477 G CA -0.849 44.045 45.100 -0.343 0.000 0.808 477 G HN 0.532 nan 8.290 nan 0.000 0.535 478 Y N 1.330 121.442 120.300 -0.312 0.000 2.364 478 Y HA 0.617 5.167 4.550 -0.000 0.000 0.340 478 Y C -0.463 175.237 175.900 -0.334 0.000 0.975 478 Y CA -1.767 56.019 58.100 -0.524 0.000 1.089 478 Y CB 1.786 39.812 38.460 -0.723 0.000 1.192 478 Y HN 0.410 nan 8.280 nan 0.000 0.454 479 N N 4.888 123.150 118.700 -0.730 0.000 2.469 479 N HA 0.227 4.967 4.740 -0.000 0.000 0.239 479 N C 0.492 175.411 175.510 -0.985 0.000 1.053 479 N CA 0.633 53.312 53.050 -0.618 0.000 0.937 479 N CB 1.473 39.759 38.487 -0.335 0.000 1.163 479 N HN 0.958 nan 8.380 nan 0.000 0.509 480 A N 4.123 126.414 122.820 -0.882 0.000 1.908 480 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 480 A C 2.074 179.424 177.584 -0.390 0.000 1.181 480 A CA 1.904 53.516 52.037 -0.708 0.000 0.627 480 A CB -0.722 18.087 19.000 -0.319 0.000 0.818 480 A HN 0.724 nan 8.150 nan 0.000 0.445 481 A N -0.809 121.840 122.820 -0.285 0.000 2.024 481 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 481 A C 2.191 179.682 177.584 -0.155 0.000 1.164 481 A CA 2.455 54.389 52.037 -0.172 0.000 0.643 481 A CB -0.787 18.134 19.000 -0.132 0.000 0.806 481 A HN 0.912 nan 8.150 nan 0.000 0.451 482 T N -5.212 109.216 114.554 -0.209 0.000 3.004 482 T HA 0.285 4.635 4.350 -0.000 0.000 0.266 482 T C 0.295 174.915 174.700 -0.133 0.000 0.986 482 T CA 0.675 62.693 62.100 -0.138 0.000 0.902 482 T CB -0.115 68.688 68.868 -0.108 0.000 1.118 482 T HN 0.534 nan 8.240 nan 0.000 0.522 483 E N 0.781 120.820 120.200 -0.268 0.000 2.791 483 E HA -0.162 4.188 4.350 -0.000 0.000 0.271 483 E C -0.728 175.917 176.600 0.074 0.000 1.044 483 E CA 0.674 57.031 56.400 -0.071 0.000 0.814 483 E CB -1.606 28.147 29.700 0.089 0.000 1.400 483 E HN 0.754 nan 8.360 nan 0.000 0.423 484 E N -0.207 119.930 120.200 -0.106 0.000 2.210 484 E HA 0.412 4.762 4.350 -0.000 0.000 0.266 484 E C -0.701 175.907 176.600 0.013 0.000 0.883 484 E CA -0.649 55.780 56.400 0.048 0.000 0.761 484 E CB 1.097 30.822 29.700 0.041 0.000 1.156 484 E HN 0.033 nan 8.360 nan 0.000 0.412 485 Y N 0.846 121.261 120.300 0.191 0.000 2.340 485 Y HA 0.647 5.197 4.550 -0.000 0.000 0.327 485 Y C 1.262 177.253 175.900 0.152 0.000 1.321 485 Y CA 0.458 58.628 58.100 0.117 0.000 1.433 485 Y CB 1.281 39.821 38.460 0.134 0.000 1.373 485 Y HN 0.724 nan 8.280 nan 0.000 0.538 486 G N 0.169 109.165 108.800 0.326 0.000 2.403 486 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.223 486 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.223 486 G C -1.600 173.496 174.900 0.328 0.000 1.287 486 G CA -1.007 44.339 45.100 0.409 0.000 0.982 486 G HN 0.562 nan 8.290 nan 0.000 0.471 487 N N 1.588 120.411 118.700 0.206 0.000 2.558 487 N HA 0.198 4.938 4.740 -0.000 0.000 0.233 487 N C 1.880 177.432 175.510 0.070 0.000 1.038 487 N CA -0.539 52.599 53.050 0.147 0.000 0.934 487 N CB 0.602 39.157 38.487 0.112 0.000 1.175 487 N HN 0.398 nan 8.380 nan 0.000 0.512 488 M N 2.945 122.569 119.600 0.039 0.000 2.116 488 M HA -0.251 4.229 4.480 -0.000 0.000 0.255 488 M C 1.656 177.958 176.300 0.004 0.000 1.075 488 M CA 1.534 56.832 55.300 -0.003 0.000 1.087 488 M CB -0.634 31.955 32.600 -0.018 0.000 1.340 488 M HN 0.575 nan 8.290 nan 0.000 0.402 489 I N -0.264 120.319 120.570 0.021 0.000 2.233 489 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 489 I C 1.881 178.009 176.117 0.018 0.000 1.093 489 I CA 1.123 62.434 61.300 0.018 0.000 1.380 489 I CB -0.559 37.455 38.000 0.024 0.000 1.067 489 I HN 0.204 nan 8.210 nan 0.000 0.413 490 D N 0.874 121.291 120.400 0.028 0.000 2.144 490 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 490 D C 2.086 178.397 176.300 0.018 0.000 0.984 490 D CA 1.348 55.364 54.000 0.026 0.000 0.834 490 D CB -0.207 40.615 40.800 0.038 0.000 0.955 490 D HN 0.319 nan 8.370 nan 0.000 0.465 491 M N -0.510 119.100 119.600 0.015 0.000 2.686 491 M HA 0.108 4.588 4.480 -0.000 0.000 0.246 491 M C 1.053 177.346 176.300 -0.012 0.000 1.096 491 M CA 0.644 55.944 55.300 -0.000 0.000 1.076 491 M CB 0.102 32.696 32.600 -0.011 0.000 1.504 491 M HN 0.071 nan 8.290 nan 0.000 0.524 492 G N 1.650 110.447 108.800 -0.006 0.000 2.176 492 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.252 492 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.252 492 G C -0.124 174.765 174.900 -0.018 0.000 1.024 492 G CA -0.272 44.822 45.100 -0.010 0.000 0.755 492 G HN 0.430 nan 8.290 nan 0.000 0.507 493 I N 1.278 121.834 120.570 -0.023 0.000 2.428 493 I HA 0.577 4.747 4.170 -0.000 0.000 0.279 493 I C 0.594 176.698 176.117 -0.022 0.000 1.040 493 I CA -0.684 60.596 61.300 -0.034 0.000 1.171 493 I CB 0.207 38.173 38.000 -0.057 0.000 1.312 493 I HN 0.380 nan 8.210 nan 0.000 0.470 494 L N 3.093 124.307 121.223 -0.015 0.000 2.510 494 L HA 0.857 5.197 4.340 -0.000 0.000 0.252 494 L C -1.516 175.351 176.870 -0.005 0.000 1.091 494 L CA -0.836 54.000 54.840 -0.007 0.000 0.888 494 L CB 2.744 44.803 42.059 0.001 0.000 1.507 494 L HN 0.031 nan 8.230 nan 0.000 0.407 495 D N -0.234 120.166 120.400 -0.000 0.000 2.964 495 D HA 0.415 5.055 4.640 -0.000 0.000 0.234 495 D C -2.799 173.505 176.300 0.006 0.000 1.223 495 D CA -1.117 52.883 54.000 0.001 0.000 0.889 495 D CB 2.585 43.385 40.800 -0.001 0.000 1.609 495 D HN 0.312 nan 8.370 nan 0.000 0.523 496 P HA 0.001 nan 4.420 nan 0.000 0.260 496 P C 0.939 178.244 177.300 0.008 0.000 1.185 496 P CA 0.299 63.406 63.100 0.013 0.000 0.763 496 P CB 0.609 32.321 31.700 0.020 0.000 0.776 497 T N 3.239 117.798 114.554 0.008 0.000 2.624 497 T HA -0.296 4.054 4.350 -0.000 0.000 0.266 497 T C 1.640 176.339 174.700 -0.001 0.000 1.050 497 T CA 1.712 63.814 62.100 0.004 0.000 1.163 497 T CB -0.420 68.451 68.868 0.005 0.000 0.861 497 T HN 0.512 nan 8.240 nan 0.000 0.443 498 K N 0.650 121.051 120.400 0.002 0.000 2.032 498 K HA -0.212 4.108 4.320 -0.000 0.000 0.218 498 K C 2.452 179.047 176.600 -0.009 0.000 1.054 498 K CA 2.311 58.595 56.287 -0.004 0.000 0.941 498 K CB -0.607 31.898 32.500 0.008 0.000 0.720 498 K HN 0.384 nan 8.250 nan 0.000 0.449 499 V N -0.746 119.168 119.914 0.000 0.000 2.255 499 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 499 V C 1.992 178.086 176.094 -0.000 0.000 1.051 499 V CA 2.525 64.826 62.300 0.002 0.000 1.018 499 V CB -1.416 30.408 31.823 0.001 0.000 0.641 499 V HN 0.389 nan 8.190 nan 0.000 0.445 500 T N 0.337 114.890 114.554 -0.002 0.000 2.624 500 T HA -0.277 4.072 4.350 -0.000 0.000 0.268 500 T C 1.961 176.655 174.700 -0.010 0.000 1.041 500 T CA 2.639 64.737 62.100 -0.002 0.000 1.159 500 T CB -0.452 68.415 68.868 -0.001 0.000 0.863 500 T HN 0.663 nan 8.240 nan 0.000 0.434 501 R N 0.859 121.346 120.500 -0.022 0.000 2.088 501 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 501 R C 2.661 178.918 176.300 -0.072 0.000 1.136 501 R CA 2.015 58.090 56.100 -0.042 0.000 0.926 501 R CB -0.576 29.696 30.300 -0.047 0.000 0.837 501 R HN 0.301 nan 8.270 nan 0.000 0.429 502 S N 0.962 116.610 115.700 -0.087 0.000 2.401 502 S HA -0.325 4.145 4.470 -0.000 0.000 0.236 502 S C 2.091 176.648 174.600 -0.073 0.000 1.058 502 S CA 1.682 59.792 58.200 -0.151 0.000 1.151 502 S CB -0.847 62.322 63.200 -0.051 0.000 1.049 502 S HN 0.635 nan 8.310 nan 0.000 0.432 503 A N 2.329 125.166 122.820 0.029 0.000 1.863 503 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 503 A C 2.135 179.756 177.584 0.062 0.000 1.233 503 A CA 1.991 54.074 52.037 0.077 0.000 0.655 503 A CB -1.219 17.807 19.000 0.044 0.000 0.839 503 A HN 0.457 nan 8.150 nan 0.000 0.454 504 L N -0.359 120.875 121.223 0.018 0.000 2.043 504 L HA -0.289 4.051 4.340 -0.000 0.000 0.212 504 L C 2.591 179.463 176.870 0.003 0.000 1.075 504 L CA 2.727 57.573 54.840 0.011 0.000 0.752 504 L CB -0.999 41.057 42.059 -0.004 0.000 0.891 504 L HN 0.619 nan 8.230 nan 0.000 0.432 505 Q N -1.450 118.321 119.800 -0.048 0.000 2.046 505 Q HA -0.223 4.117 4.340 -0.000 0.000 0.200 505 Q C 2.100 178.098 176.000 -0.004 0.000 0.975 505 Q CA 1.574 57.328 55.803 -0.081 0.000 0.836 505 Q CB -0.280 28.335 28.738 -0.206 0.000 0.896 505 Q HN 0.453 nan 8.270 nan 0.000 0.428 506 Y N 0.746 121.046 120.300 -0.001 0.000 2.165 506 Y HA -0.222 4.328 4.550 -0.000 0.000 0.286 506 Y C 2.434 178.334 175.900 -0.001 0.000 1.155 506 Y CA 0.834 58.933 58.100 -0.001 0.000 1.164 506 Y CB -0.933 37.526 38.460 -0.003 0.000 0.978 506 Y HN 0.146 nan 8.280 nan 0.000 0.513 507 A N 0.007 122.928 122.820 0.168 0.000 1.865 507 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 507 A C 2.552 180.178 177.584 0.070 0.000 1.191 507 A CA 2.303 54.395 52.037 0.091 0.000 0.623 507 A CB -1.381 17.655 19.000 0.060 0.000 0.826 507 A HN 0.399 nan 8.150 nan 0.000 0.444 508 A N -0.570 122.284 122.820 0.057 0.000 1.892 508 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 508 A C 2.474 180.087 177.584 0.049 0.000 1.188 508 A CA 2.637 54.698 52.037 0.039 0.000 0.631 508 A CB -1.297 17.717 19.000 0.023 0.000 0.822 508 A HN 0.750 nan 8.150 nan 0.000 0.447 509 S N -0.855 114.891 115.700 0.076 0.000 2.427 509 S HA -0.230 4.240 4.470 -0.000 0.000 0.231 509 S C 1.975 176.614 174.600 0.064 0.000 1.045 509 S CA 2.468 60.720 58.200 0.087 0.000 1.154 509 S CB -0.999 62.304 63.200 0.172 0.000 1.093 509 S HN 0.909 nan 8.310 nan 0.000 0.422 510 V N 2.091 122.045 119.914 0.067 0.000 2.380 510 V HA -0.116 4.004 4.120 -0.000 0.000 0.251 510 V C 2.583 178.693 176.094 0.027 0.000 1.063 510 V CA 2.398 64.720 62.300 0.036 0.000 1.055 510 V CB -1.423 30.414 31.823 0.024 0.000 0.657 510 V HN 0.682 nan 8.190 nan 0.000 0.455 511 A N 0.261 123.099 122.820 0.030 0.000 1.834 511 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 511 A C 2.481 180.075 177.584 0.017 0.000 1.203 511 A CA 2.228 54.278 52.037 0.021 0.000 0.621 511 A CB -1.768 17.245 19.000 0.022 0.000 0.841 511 A HN 0.719 nan 8.150 nan 0.000 0.446 512 G N -0.571 108.240 108.800 0.019 0.000 2.469 512 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 512 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 512 G C 1.448 176.356 174.900 0.013 0.000 1.136 512 G CA 1.354 46.463 45.100 0.015 0.000 0.759 512 G HN 0.381 nan 8.290 nan 0.000 0.562 513 L N 0.289 121.521 121.223 0.016 0.000 2.021 513 L HA -0.090 4.250 4.340 -0.000 0.000 0.215 513 L C 3.038 179.912 176.870 0.007 0.000 1.074 513 L CA 1.809 56.657 54.840 0.013 0.000 0.760 513 L CB -0.452 41.617 42.059 0.016 0.000 0.889 513 L HN 0.283 nan 8.230 nan 0.000 0.433 514 M N -1.595 118.009 119.600 0.006 0.000 2.077 514 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 514 M C 2.197 178.496 176.300 -0.001 0.000 1.070 514 M CA 1.749 57.049 55.300 0.001 0.000 1.125 514 M CB -0.446 32.155 32.600 0.002 0.000 1.339 514 M HN 0.156 nan 8.290 nan 0.000 0.409 515 I N 0.372 120.944 120.570 0.003 0.000 2.479 515 I HA -0.286 3.884 4.170 -0.000 0.000 0.258 515 I C 1.914 178.033 176.117 0.003 0.000 1.165 515 I CA 1.632 62.934 61.300 0.003 0.000 1.422 515 I CB -0.830 37.173 38.000 0.006 0.000 1.087 515 I HN 0.486 nan 8.210 nan 0.000 0.441 516 T N -4.450 110.106 114.554 0.003 0.000 3.044 516 T HA 0.134 4.484 4.350 -0.000 0.000 0.260 516 T C 0.664 175.364 174.700 -0.000 0.000 1.019 516 T CA -0.262 61.840 62.100 0.004 0.000 0.921 516 T CB -0.236 68.635 68.868 0.006 0.000 1.053 516 T HN -0.011 nan 8.240 nan 0.000 0.533 517 T N 3.016 117.566 114.554 -0.006 0.000 2.794 517 T HA 0.253 4.603 4.350 -0.000 0.000 0.296 517 T C 0.597 175.284 174.700 -0.022 0.000 0.949 517 T CA -0.360 61.730 62.100 -0.017 0.000 1.101 517 T CB 1.197 70.052 68.868 -0.022 0.000 0.905 517 T HN 0.134 nan 8.240 nan 0.000 0.516 518 E N 0.612 120.796 120.200 -0.027 0.000 2.511 518 E HA 0.184 4.534 4.350 -0.000 0.000 0.209 518 E C 0.147 176.692 176.600 -0.092 0.000 0.986 518 E CA 0.033 56.425 56.400 -0.014 0.000 0.974 518 E CB 0.682 30.401 29.700 0.032 0.000 1.030 518 E HN 0.564 nan 8.360 nan 0.000 0.490 519 C N 0.352 119.552 119.300 -0.166 0.000 3.082 519 C HA 0.683 5.143 4.460 -0.000 0.000 0.324 519 C C -1.561 173.299 174.990 -0.216 0.000 1.210 519 C CA -0.565 58.245 59.018 -0.345 0.000 1.366 519 C CB 0.776 28.245 27.740 -0.451 0.000 1.756 519 C HN 0.135 nan 8.230 nan 0.000 0.485 520 M N 4.859 124.329 119.600 -0.218 0.000 2.271 520 M HA 0.518 4.998 4.480 -0.000 0.000 0.285 520 M C -1.144 175.255 176.300 0.165 0.000 1.059 520 M CA -0.420 54.883 55.300 0.005 0.000 0.940 520 M CB 2.039 34.676 32.600 0.061 0.000 1.636 520 M HN 0.405 nan 8.290 nan 0.000 0.460 521 V N 1.245 121.229 119.914 0.117 0.000 2.628 521 V HA 0.909 5.029 4.120 -0.000 0.000 0.306 521 V C -0.143 175.955 176.094 0.008 0.000 1.045 521 V CA -0.380 61.968 62.300 0.081 0.000 0.905 521 V CB 2.074 33.903 31.823 0.010 0.000 0.997 521 V HN 0.951 nan 8.190 nan 0.000 0.436 522 T N 1.103 115.602 114.554 -0.090 0.000 2.677 522 T HA 0.294 4.644 4.350 -0.000 0.000 0.305 522 T C -1.756 172.836 174.700 -0.180 0.000 1.569 522 T CA -0.583 61.399 62.100 -0.197 0.000 0.984 522 T CB 1.873 70.481 68.868 -0.433 0.000 1.629 522 T HN 0.638 nan 8.240 nan 0.000 0.494 523 D N 1.117 121.417 120.400 -0.167 0.000 2.377 523 D HA 0.425 5.065 4.640 -0.000 0.000 0.245 523 D C 0.145 176.360 176.300 -0.142 0.000 1.196 523 D CA -0.119 53.809 54.000 -0.120 0.000 0.962 523 D CB 0.508 41.254 40.800 -0.089 0.000 1.127 523 D HN 0.421 nan 8.370 nan 0.000 0.471 524 L N 2.077 123.248 121.223 -0.087 0.000 2.375 524 L HA 0.185 4.525 4.340 -0.000 0.000 0.271 524 L C -0.549 176.281 176.870 -0.066 0.000 1.107 524 L CA -1.335 53.462 54.840 -0.071 0.000 0.806 524 L CB 0.703 42.742 42.059 -0.033 0.000 1.146 524 L HN 0.341 nan 8.230 nan 0.000 0.447 525 P HA -0.105 nan 4.420 nan 0.000 0.213 525 P C 0.125 177.406 177.300 -0.030 0.000 1.170 525 P CA 1.554 64.627 63.100 -0.045 0.000 0.902 525 P CB 0.167 31.850 31.700 -0.027 0.000 0.789 526 K N 0.000 120.388 120.400 -0.021 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543