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 3e76_1_H DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.580 177.584 -0.007 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.014 0.000 0.831 3 A N 2.929 125.746 122.820 -0.005 0.000 2.477 3 A HA 0.579 4.898 4.320 -0.001 0.000 0.246 3 A C 0.260 177.840 177.584 -0.008 0.000 1.078 3 A CA 0.300 52.337 52.037 -0.001 0.000 0.770 3 A CB 0.137 19.139 19.000 0.003 0.000 1.011 3 A HN 0.623 nan 8.150 nan 0.000 0.494 4 K N 1.403 121.802 120.400 -0.002 0.000 2.267 4 K HA 0.438 4.758 4.320 -0.001 0.000 0.246 4 K C -1.431 175.176 176.600 0.011 0.000 0.954 4 K CA -0.716 55.565 56.287 -0.011 0.000 0.824 4 K CB 2.084 34.576 32.500 -0.014 0.000 1.167 4 K HN 0.755 nan 8.250 nan 0.000 0.431 5 D N 0.971 121.378 120.400 0.012 0.000 2.278 5 D HA 0.400 5.040 4.640 -0.001 0.000 0.245 5 D C -1.337 175.054 176.300 0.151 0.000 1.052 5 D CA -0.605 53.453 54.000 0.096 0.000 0.834 5 D CB 1.474 42.364 40.800 0.150 0.000 1.194 5 D HN 0.071 nan 8.370 nan 0.000 0.481 6 V N 4.148 124.129 119.914 0.111 0.000 2.531 6 V HA 0.437 4.556 4.120 -0.001 0.000 0.301 6 V C -0.048 175.924 176.094 -0.204 0.000 1.034 6 V CA -0.817 61.457 62.300 -0.043 0.000 0.865 6 V CB 1.788 33.510 31.823 -0.168 0.000 0.995 6 V HN 0.411 nan 8.190 nan 0.000 0.424 7 K N 3.727 123.930 120.400 -0.328 0.000 2.259 7 K HA 0.746 5.065 4.320 -0.001 0.000 0.252 7 K C -1.582 174.697 176.600 -0.535 0.000 0.936 7 K CA -0.497 55.525 56.287 -0.443 0.000 0.810 7 K CB 2.311 34.402 32.500 -0.681 0.000 1.143 7 K HN 0.446 nan 8.250 nan 0.000 0.427 8 F N 0.339 120.248 119.950 -0.069 0.000 2.522 8 F HA 0.420 4.946 4.527 -0.001 0.000 0.324 8 F C 1.198 176.971 175.800 -0.045 0.000 1.077 8 F CA 0.094 58.072 58.000 -0.036 0.000 0.944 8 F CB 1.784 40.772 39.000 -0.020 0.000 1.175 8 F HN 0.838 nan 8.300 nan 0.000 0.468 9 G N 2.469 111.378 108.800 0.182 0.000 2.611 9 G HA2 -0.419 3.540 3.960 -0.001 0.000 0.301 9 G HA3 -0.419 3.540 3.960 -0.001 0.000 0.301 9 G C 1.272 176.194 174.900 0.037 0.000 1.233 9 G CA 0.678 45.835 45.100 0.095 0.000 0.993 9 G HN 0.686 nan 8.290 nan 0.000 0.553 10 N N 0.771 119.485 118.700 0.025 0.000 2.104 10 N HA -0.140 4.599 4.740 -0.001 0.000 0.190 10 N C 1.867 177.366 175.510 -0.018 0.000 1.024 10 N CA 2.007 55.059 53.050 0.004 0.000 0.853 10 N CB -0.417 38.072 38.487 0.003 0.000 1.008 10 N HN 0.594 nan 8.380 nan 0.000 0.424 11 D N 0.342 120.727 120.400 -0.026 0.000 2.149 11 D HA -0.119 4.521 4.640 -0.001 0.000 0.198 11 D C 1.541 177.761 176.300 -0.133 0.000 0.990 11 D CA 1.162 55.119 54.000 -0.072 0.000 0.839 11 D CB 0.094 40.853 40.800 -0.068 0.000 0.948 11 D HN 0.340 nan 8.370 nan 0.000 0.460 12 A N 0.527 123.275 122.820 -0.120 0.000 1.930 12 A HA -0.063 4.257 4.320 -0.001 0.000 0.215 12 A C 2.317 179.857 177.584 -0.074 0.000 1.176 12 A CA 0.722 52.663 52.037 -0.161 0.000 0.632 12 A CB -0.251 18.680 19.000 -0.115 0.000 0.819 12 A HN 0.136 nan 8.150 nan 0.000 0.445 13 R N -0.237 120.243 120.500 -0.034 0.000 2.073 13 R HA -0.085 4.255 4.340 -0.001 0.000 0.229 13 R C 2.111 178.406 176.300 -0.009 0.000 1.120 13 R CA 1.488 57.584 56.100 -0.008 0.000 0.967 13 R CB -0.566 29.735 30.300 0.002 0.000 0.862 13 R HN 0.540 nan 8.270 nan 0.000 0.436 14 V N -0.296 119.605 119.914 -0.022 0.000 2.720 14 V HA -0.171 3.948 4.120 -0.001 0.000 0.256 14 V C 1.712 177.798 176.094 -0.012 0.000 1.082 14 V CA 1.502 63.792 62.300 -0.017 0.000 1.101 14 V CB -0.406 31.404 31.823 -0.022 0.000 0.693 14 V HN 0.119 nan 8.190 nan 0.000 0.479 15 K N -0.201 120.186 120.400 -0.023 0.000 2.167 15 K HA 0.136 4.455 4.320 -0.001 0.000 0.203 15 K C 2.104 178.732 176.600 0.047 0.000 1.052 15 K CA 1.493 57.786 56.287 0.009 0.000 0.956 15 K CB -0.270 32.224 32.500 -0.010 0.000 0.735 15 K HN 0.513 nan 8.250 nan 0.000 0.451 16 M N 0.340 119.964 119.600 0.041 0.000 2.123 16 M HA -0.146 4.333 4.480 -0.001 0.000 0.263 16 M C 2.241 178.559 176.300 0.030 0.000 1.069 16 M CA 1.080 56.407 55.300 0.045 0.000 1.133 16 M CB -0.288 32.336 32.600 0.040 0.000 1.356 16 M HN 0.018 nan 8.290 nan 0.000 0.415 17 L N 0.559 121.795 121.223 0.020 0.000 2.012 17 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 17 L C 2.458 179.338 176.870 0.015 0.000 1.073 17 L CA 1.976 56.826 54.840 0.015 0.000 0.748 17 L CB -0.604 41.462 42.059 0.010 0.000 0.891 17 L HN 0.167 nan 8.230 nan 0.000 0.431 18 R N -0.388 120.122 120.500 0.016 0.000 2.105 18 R HA -0.112 4.227 4.340 -0.001 0.000 0.239 18 R C 2.124 178.437 176.300 0.020 0.000 1.135 18 R CA 1.698 57.808 56.100 0.016 0.000 0.967 18 R CB -1.035 29.275 30.300 0.016 0.000 0.861 18 R HN 0.523 nan 8.270 nan 0.000 0.442 19 G N -0.353 108.463 108.800 0.028 0.000 2.394 19 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.214 19 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.214 19 G C 1.415 176.328 174.900 0.020 0.000 1.176 19 G CA 0.851 45.968 45.100 0.028 0.000 0.786 19 G HN 0.329 nan 8.290 nan 0.000 0.533 20 V N -0.406 119.520 119.914 0.020 0.000 2.515 20 V HA -0.101 4.018 4.120 -0.001 0.000 0.250 20 V C 2.260 178.361 176.094 0.012 0.000 1.058 20 V CA 2.018 64.327 62.300 0.016 0.000 1.064 20 V CB -0.710 31.123 31.823 0.017 0.000 0.675 20 V HN 0.147 nan 8.190 nan 0.000 0.461 21 N N 0.967 119.674 118.700 0.012 0.000 2.223 21 N HA -0.089 4.650 4.740 -0.001 0.000 0.185 21 N C 1.708 177.222 175.510 0.008 0.000 1.016 21 N CA 1.631 54.686 53.050 0.009 0.000 0.863 21 N CB -0.546 37.946 38.487 0.009 0.000 0.983 21 N HN 0.513 nan 8.380 nan 0.000 0.429 22 V N 1.047 120.966 119.914 0.009 0.000 2.270 22 V HA -0.143 3.977 4.120 -0.001 0.000 0.245 22 V C 2.365 178.462 176.094 0.005 0.000 1.043 22 V CA 1.071 63.375 62.300 0.007 0.000 1.014 22 V CB -0.559 31.269 31.823 0.008 0.000 0.645 22 V HN 0.227 nan 8.190 nan 0.000 0.447 23 L N 0.019 121.245 121.223 0.005 0.000 2.046 23 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 23 L C 2.501 179.372 176.870 0.002 0.000 1.077 23 L CA 1.909 56.751 54.840 0.003 0.000 0.747 23 L CB -0.503 41.558 42.059 0.003 0.000 0.896 23 L HN 0.310 nan 8.230 nan 0.000 0.432 24 A N -0.417 122.406 122.820 0.004 0.000 1.858 24 A HA -0.248 4.072 4.320 -0.001 0.000 0.216 24 A C 1.870 179.456 177.584 0.003 0.000 1.190 24 A CA 2.000 54.039 52.037 0.004 0.000 0.617 24 A CB -0.834 18.169 19.000 0.006 0.000 0.827 24 A HN 0.492 nan 8.150 nan 0.000 0.443 25 D N 0.003 120.405 120.400 0.003 0.000 2.218 25 D HA 0.013 4.653 4.640 -0.001 0.000 0.204 25 D C 1.937 178.238 176.300 0.001 0.000 0.976 25 D CA 1.285 55.286 54.000 0.002 0.000 0.853 25 D CB -0.250 40.551 40.800 0.002 0.000 0.939 25 D HN 0.451 nan 8.370 nan 0.000 0.481 26 A N -0.153 122.667 122.820 0.000 0.000 2.067 26 A HA 0.023 4.342 4.320 -0.001 0.000 0.217 26 A C 2.198 179.781 177.584 -0.002 0.000 1.156 26 A CA 0.585 52.621 52.037 -0.001 0.000 0.683 26 A CB 0.099 19.098 19.000 -0.001 0.000 0.808 26 A HN 0.158 nan 8.150 nan 0.000 0.455 27 V N 0.478 120.391 119.914 -0.002 0.000 2.788 27 V HA -0.109 4.011 4.120 -0.001 0.000 0.241 27 V C 2.287 178.379 176.094 -0.003 0.000 1.083 27 V CA 1.521 63.818 62.300 -0.004 0.000 1.103 27 V CB -0.267 31.552 31.823 -0.006 0.000 0.800 27 V HN 0.775 nan 8.190 nan 0.000 0.476 28 K N 1.894 122.294 120.400 -0.001 0.000 2.360 28 K HA -0.119 4.201 4.320 -0.001 0.000 0.201 28 K C 1.690 178.289 176.600 -0.000 0.000 1.046 28 K CA 1.840 58.127 56.287 0.000 0.000 0.945 28 K CB -0.627 31.874 32.500 0.001 0.000 0.750 28 K HN 0.493 nan 8.250 nan 0.000 0.464 29 V N -0.488 119.425 119.914 -0.001 0.000 3.217 29 V HA -0.066 4.053 4.120 -0.001 0.000 0.264 29 V C 1.816 177.909 176.094 -0.002 0.000 1.135 29 V CA 1.356 63.656 62.300 -0.001 0.000 1.142 29 V CB -0.811 31.011 31.823 -0.001 0.000 0.754 29 V HN 0.518 nan 8.190 nan 0.000 0.484 30 T N -2.184 112.368 114.554 -0.003 0.000 3.186 30 T HA 0.414 4.764 4.350 -0.001 0.000 0.257 30 T C 0.116 174.813 174.700 -0.004 0.000 1.029 30 T CA -0.297 61.801 62.100 -0.004 0.000 0.916 30 T CB -0.012 68.852 68.868 -0.006 0.000 1.041 30 T HN 0.290 nan 8.240 nan 0.000 0.562 31 L N 2.264 123.486 121.223 -0.001 0.000 2.350 31 L HA 0.680 5.020 4.340 -0.001 0.000 0.275 31 L C 0.869 177.741 176.870 0.002 0.000 1.099 31 L CA 1.475 56.315 54.840 0.000 0.000 0.808 31 L CB 0.199 42.259 42.059 0.002 0.000 1.149 31 L HN 0.652 nan 8.230 nan 0.000 0.442 32 G N 4.375 113.176 108.800 0.001 0.000 2.741 32 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.222 32 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.222 32 G C -2.162 172.736 174.900 -0.004 0.000 1.364 32 G CA -0.147 44.955 45.100 0.002 0.000 0.866 32 G HN 0.646 nan 8.290 nan 0.000 0.555 33 P HA 0.223 nan 4.420 nan 0.000 0.245 33 P C 0.922 178.217 177.300 -0.009 0.000 1.199 33 P CA 0.599 63.692 63.100 -0.012 0.000 0.807 33 P CB 0.332 32.019 31.700 -0.022 0.000 1.002 34 K N 0.852 121.251 120.400 -0.002 0.000 2.520 34 K HA 0.246 4.566 4.320 -0.001 0.000 0.205 34 K C 1.087 177.688 176.600 0.003 0.000 1.035 34 K CA -0.080 56.209 56.287 0.003 0.000 1.188 34 K CB -0.235 32.274 32.500 0.015 0.000 0.894 34 K HN 0.103 nan 8.250 nan 0.000 0.497 35 G N 1.186 109.985 108.800 -0.000 0.000 2.594 35 G HA2 0.116 4.076 3.960 -0.001 0.000 0.243 35 G HA3 0.116 4.076 3.960 -0.001 0.000 0.243 35 G C 0.067 174.966 174.900 -0.002 0.000 1.229 35 G CA -0.445 44.655 45.100 -0.001 0.000 0.843 35 G HN 0.089 nan 8.290 nan 0.000 0.578 36 R N 0.409 120.908 120.500 -0.002 0.000 2.674 36 R HA 0.316 4.656 4.340 -0.001 0.000 0.266 36 R C -0.278 176.020 176.300 -0.003 0.000 1.016 36 R CA -1.021 55.077 56.100 -0.002 0.000 1.062 36 R CB 0.697 30.996 30.300 -0.001 0.000 1.142 36 R HN 0.483 nan 8.270 nan 0.000 0.517 37 N N 0.275 118.973 118.700 -0.003 0.000 2.518 37 N HA 0.209 4.948 4.740 -0.001 0.000 0.283 37 N C -0.753 174.755 175.510 -0.003 0.000 1.119 37 N CA -0.207 52.840 53.050 -0.003 0.000 0.983 37 N CB 1.544 40.029 38.487 -0.003 0.000 1.139 37 N HN 0.124 nan 8.380 nan 0.000 0.465 38 V N 2.400 122.312 119.914 -0.003 0.000 2.448 38 V HA 0.302 4.421 4.120 -0.001 0.000 0.295 38 V C 0.008 176.101 176.094 -0.002 0.000 1.025 38 V CA -0.815 61.484 62.300 -0.003 0.000 0.859 38 V CB 1.905 33.726 31.823 -0.004 0.000 0.988 38 V HN 0.284 nan 8.190 nan 0.000 0.431 39 V N 6.755 126.669 119.914 -0.001 0.000 2.407 39 V HA 0.466 4.585 4.120 -0.001 0.000 0.278 39 V C -0.154 175.940 176.094 0.000 0.000 1.037 39 V CA -0.426 61.874 62.300 -0.000 0.000 0.900 39 V CB 1.337 33.160 31.823 0.000 0.000 0.983 39 V HN 0.615 nan 8.190 nan 0.000 0.459 40 L N 3.771 124.995 121.223 0.002 0.000 2.313 40 L HA 0.539 4.878 4.340 -0.001 0.000 0.283 40 L C -0.290 176.584 176.870 0.007 0.000 1.013 40 L CA -0.560 54.282 54.840 0.003 0.000 0.816 40 L CB 1.756 43.817 42.059 0.002 0.000 1.236 40 L HN 0.533 nan 8.230 nan 0.000 0.419 41 D N 2.958 123.362 120.400 0.006 0.000 2.345 41 D HA 0.303 4.943 4.640 -0.001 0.000 0.247 41 D C -0.670 175.639 176.300 0.016 0.000 1.108 41 D CA 0.124 54.129 54.000 0.008 0.000 0.894 41 D CB 0.986 41.787 40.800 0.002 0.000 1.203 41 D HN 0.339 nan 8.370 nan 0.000 0.430 42 K N 0.773 121.188 120.400 0.025 0.000 2.375 42 K HA 0.248 4.567 4.320 -0.001 0.000 0.249 42 K C 0.964 177.586 176.600 0.036 0.000 0.942 42 K CA -0.623 55.691 56.287 0.046 0.000 0.806 42 K CB 1.810 34.352 32.500 0.071 0.000 1.227 42 K HN 0.437 nan 8.250 nan 0.000 0.430 43 S N 1.335 117.059 115.700 0.039 0.000 2.368 43 S HA -0.065 4.404 4.470 -0.001 0.000 0.225 43 S C 0.601 175.125 174.600 -0.128 0.000 1.030 43 S CA 0.789 58.955 58.200 -0.058 0.000 0.999 43 S CB -0.285 62.861 63.200 -0.090 0.000 0.844 43 S HN 0.416 nan 8.310 nan 0.000 0.459 44 F N 3.384 123.332 119.950 -0.005 0.000 2.404 44 F HA 0.563 5.089 4.527 -0.002 0.000 0.359 44 F C 1.608 177.405 175.800 -0.004 0.000 1.134 44 F CA 0.467 58.464 58.000 -0.004 0.000 1.160 44 F CB 0.444 39.441 39.000 -0.004 0.000 1.186 44 F HN 0.542 nan 8.300 nan 0.000 0.526 45 G N 2.311 111.177 108.800 0.110 0.000 2.550 45 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.277 45 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.277 45 G C 0.016 174.944 174.900 0.048 0.000 1.190 45 G CA -0.461 44.684 45.100 0.076 0.000 0.971 45 G HN 1.036 nan 8.290 nan 0.000 0.559 46 A N 1.634 124.480 122.820 0.044 0.000 2.445 46 A HA 0.647 4.966 4.320 -0.001 0.000 0.242 46 A C -1.329 176.271 177.584 0.027 0.000 1.075 46 A CA 0.261 52.314 52.037 0.028 0.000 0.777 46 A CB -0.185 18.829 19.000 0.023 0.000 1.013 46 A HN 0.709 nan 8.150 nan 0.000 0.493 47 P HA 0.338 nan 4.420 nan 0.000 0.274 47 P C -0.476 176.832 177.300 0.013 0.000 1.237 47 P CA -0.146 62.963 63.100 0.015 0.000 0.793 47 P CB 0.595 32.300 31.700 0.008 0.000 0.977 48 T N 2.138 116.698 114.554 0.011 0.000 2.743 48 T HA 0.465 4.814 4.350 -0.001 0.000 0.293 48 T C 0.330 175.032 174.700 0.003 0.000 0.945 48 T CA -0.229 61.876 62.100 0.007 0.000 1.030 48 T CB -0.168 68.704 68.868 0.006 0.000 0.912 48 T HN 0.173 nan 8.240 nan 0.000 0.483 49 I N 2.999 123.570 120.570 0.002 0.000 2.312 49 I HA 0.498 4.667 4.170 -0.001 0.000 0.290 49 I C 0.569 176.684 176.117 -0.003 0.000 1.008 49 I CA -0.355 60.944 61.300 -0.001 0.000 1.226 49 I CB 1.406 39.406 38.000 -0.000 0.000 1.371 49 I HN 0.507 nan 8.210 nan 0.000 0.468 50 T N 4.123 118.674 114.554 -0.004 0.000 2.868 50 T HA 0.396 4.745 4.350 -0.001 0.000 0.306 50 T C 0.231 174.927 174.700 -0.007 0.000 1.224 50 T CA -0.581 61.515 62.100 -0.007 0.000 1.012 50 T CB 1.810 70.673 68.868 -0.008 0.000 1.221 50 T HN 0.649 nan 8.240 nan 0.000 0.499 51 K N 0.677 121.071 120.400 -0.009 0.000 2.373 51 K HA 0.169 4.489 4.320 -0.001 0.000 0.200 51 K C -0.290 176.302 176.600 -0.012 0.000 1.054 51 K CA -0.185 56.096 56.287 -0.010 0.000 1.065 51 K CB 0.365 32.860 32.500 -0.009 0.000 0.886 51 K HN 0.491 nan 8.250 nan 0.000 0.546 52 D N 0.813 121.204 120.400 -0.015 0.000 2.368 52 D HA -0.003 4.636 4.640 -0.001 0.000 0.268 52 D C 1.223 177.511 176.300 -0.019 0.000 1.298 52 D CA 0.143 54.131 54.000 -0.020 0.000 0.938 52 D CB 0.965 41.751 40.800 -0.023 0.000 1.101 52 D HN 0.235 nan 8.370 nan 0.000 0.509 53 G N 2.566 111.354 108.800 -0.020 0.000 2.479 53 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.220 53 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.220 53 G C 1.429 176.315 174.900 -0.023 0.000 1.115 53 G CA 0.805 45.893 45.100 -0.019 0.000 0.757 53 G HN 0.488 nan 8.290 nan 0.000 0.560 54 V N 0.718 120.615 119.914 -0.029 0.000 2.346 54 V HA -0.122 3.997 4.120 -0.001 0.000 0.244 54 V C 2.961 179.038 176.094 -0.028 0.000 1.037 54 V CA 2.011 64.291 62.300 -0.033 0.000 1.029 54 V CB -0.688 31.110 31.823 -0.042 0.000 0.663 54 V HN 0.320 nan 8.190 nan 0.000 0.454 55 S N 0.275 115.960 115.700 -0.024 0.000 2.382 55 S HA -0.143 4.327 4.470 -0.001 0.000 0.228 55 S C 2.008 176.599 174.600 -0.015 0.000 1.027 55 S CA 1.468 59.656 58.200 -0.020 0.000 0.991 55 S CB -0.185 63.005 63.200 -0.017 0.000 0.823 55 S HN 0.391 nan 8.310 nan 0.000 0.469 56 V N 1.767 121.672 119.914 -0.014 0.000 2.379 56 V HA -0.114 4.006 4.120 -0.001 0.000 0.245 56 V C 2.629 178.716 176.094 -0.012 0.000 1.044 56 V CA 1.522 63.815 62.300 -0.011 0.000 1.036 56 V CB -1.197 30.621 31.823 -0.010 0.000 0.664 56 V HN 0.519 nan 8.190 nan 0.000 0.453 57 A N 0.069 122.880 122.820 -0.015 0.000 1.877 57 A HA -0.237 4.083 4.320 -0.001 0.000 0.216 57 A C 2.373 179.948 177.584 -0.016 0.000 1.186 57 A CA 1.813 53.841 52.037 -0.015 0.000 0.620 57 A CB -0.571 18.417 19.000 -0.020 0.000 0.822 57 A HN 0.451 nan 8.150 nan 0.000 0.443 58 R N -0.565 119.923 120.500 -0.019 0.000 2.139 58 R HA -0.143 4.197 4.340 -0.001 0.000 0.243 58 R C 1.759 178.050 176.300 -0.015 0.000 1.145 58 R CA 1.440 57.529 56.100 -0.020 0.000 0.976 58 R CB -0.242 30.045 30.300 -0.023 0.000 0.866 58 R HN 0.522 nan 8.270 nan 0.000 0.449 59 E N 0.224 120.417 120.200 -0.011 0.000 2.285 59 E HA -0.008 4.341 4.350 -0.001 0.000 0.194 59 E C 0.612 177.209 176.600 -0.006 0.000 0.997 59 E CA 0.288 56.684 56.400 -0.007 0.000 0.845 59 E CB 0.129 29.826 29.700 -0.004 0.000 0.782 59 E HN 0.168 nan 8.360 nan 0.000 0.491 60 I N 1.987 122.553 120.570 -0.006 0.000 2.533 60 I HA 0.071 4.240 4.170 -0.001 0.000 0.284 60 I C 0.417 176.531 176.117 -0.005 0.000 1.109 60 I CA 0.461 61.759 61.300 -0.004 0.000 1.412 60 I CB 0.062 38.060 38.000 -0.003 0.000 1.396 60 I HN -0.010 nan 8.210 nan 0.000 0.543 61 E N 6.984 127.182 120.200 -0.004 0.000 2.428 61 E HA 0.364 4.713 4.350 -0.001 0.000 0.307 61 E C -1.677 174.921 176.600 -0.003 0.000 0.902 61 E CA -0.503 55.894 56.400 -0.005 0.000 0.799 61 E CB 1.388 31.083 29.700 -0.007 0.000 1.351 61 E HN 0.460 nan 8.360 nan 0.000 0.392 62 L N 3.149 124.371 121.223 -0.002 0.000 2.439 62 L HA 0.324 4.663 4.340 -0.001 0.000 0.259 62 L C 1.708 178.578 176.870 -0.000 0.000 1.129 62 L CA -0.107 54.735 54.840 0.003 0.000 0.803 62 L CB 0.938 43.003 42.059 0.010 0.000 1.161 62 L HN 0.724 nan 8.230 nan 0.000 0.462 63 E N 0.503 120.706 120.200 0.005 0.000 2.033 63 E HA -0.159 4.190 4.350 -0.001 0.000 0.189 63 E C 0.129 176.733 176.600 0.007 0.000 0.979 63 E CA 0.460 56.861 56.400 0.003 0.000 0.802 63 E CB 0.200 29.904 29.700 0.007 0.000 0.763 63 E HN 0.706 nan 8.360 nan 0.000 0.449 64 D N 0.708 121.123 120.400 0.025 0.000 2.412 64 D HA -0.061 4.578 4.640 -0.001 0.000 0.257 64 D C 0.947 177.268 176.300 0.034 0.000 1.217 64 D CA 0.069 54.100 54.000 0.051 0.000 0.897 64 D CB 0.711 41.560 40.800 0.082 0.000 1.132 64 D HN -0.059 nan 8.370 nan 0.000 0.493 65 K N 3.274 123.661 120.400 -0.022 0.000 2.074 65 K HA -0.183 4.136 4.320 -0.001 0.000 0.209 65 K C 1.633 178.125 176.600 -0.179 0.000 1.048 65 K CA 1.267 57.465 56.287 -0.147 0.000 0.926 65 K CB -0.310 32.025 32.500 -0.275 0.000 0.713 65 K HN 0.555 nan 8.250 nan 0.000 0.444 66 F N 1.494 121.432 119.950 -0.021 0.000 2.113 66 F HA -0.101 4.426 4.527 -0.001 0.000 0.297 66 F C 2.411 178.200 175.800 -0.017 0.000 1.103 66 F CA 1.141 59.127 58.000 -0.024 0.000 1.248 66 F CB -0.395 38.588 39.000 -0.028 0.000 0.999 66 F HN 0.125 nan 8.300 nan 0.000 0.475 67 E N 0.013 120.318 120.200 0.174 0.000 2.085 67 E HA -0.278 4.072 4.350 -0.001 0.000 0.194 67 E C 1.896 178.526 176.600 0.050 0.000 0.994 67 E CA 1.393 57.848 56.400 0.090 0.000 0.801 67 E CB -0.396 29.344 29.700 0.067 0.000 0.743 67 E HN 0.310 nan 8.360 nan 0.000 0.453 68 N N 0.797 119.513 118.700 0.026 0.000 2.069 68 N HA -0.195 4.544 4.740 -0.001 0.000 0.191 68 N C 1.755 177.263 175.510 -0.002 0.000 1.031 68 N CA 1.549 54.600 53.050 0.001 0.000 0.852 68 N CB -0.066 38.407 38.487 -0.023 0.000 1.018 68 N HN 0.079 nan 8.380 nan 0.000 0.423 69 M N -0.497 119.099 119.600 -0.007 0.000 2.065 69 M HA -0.081 4.399 4.480 -0.001 0.000 0.259 69 M C 2.240 178.550 176.300 0.018 0.000 1.069 69 M CA 1.917 57.214 55.300 -0.005 0.000 1.110 69 M CB -0.869 31.726 32.600 -0.009 0.000 1.328 69 M HN 0.353 nan 8.290 nan 0.000 0.405 70 G N -0.021 108.802 108.800 0.038 0.000 2.514 70 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.217 70 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.217 70 G C 1.609 176.522 174.900 0.023 0.000 1.198 70 G CA 1.370 46.491 45.100 0.035 0.000 0.780 70 G HN 0.571 nan 8.290 nan 0.000 0.565 71 A N -0.356 122.476 122.820 0.019 0.000 1.892 71 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 71 A C 2.369 179.956 177.584 0.006 0.000 1.188 71 A CA 2.143 54.187 52.037 0.011 0.000 0.631 71 A CB -0.437 18.569 19.000 0.009 0.000 0.822 71 A HN 0.356 nan 8.150 nan 0.000 0.447 72 Q N -1.123 118.678 119.800 0.003 0.000 2.291 72 Q HA -0.017 4.322 4.340 -0.001 0.000 0.205 72 Q C 2.050 178.051 176.000 0.002 0.000 0.970 72 Q CA 1.004 56.806 55.803 -0.002 0.000 0.876 72 Q CB -0.278 28.455 28.738 -0.008 0.000 0.935 72 Q HN 0.789 nan 8.270 nan 0.000 0.455 73 M N -0.231 119.374 119.600 0.008 0.000 2.123 73 M HA -0.133 4.346 4.480 -0.001 0.000 0.263 73 M C 2.168 178.477 176.300 0.016 0.000 1.069 73 M CA 1.319 56.627 55.300 0.014 0.000 1.133 73 M CB -0.122 32.490 32.600 0.020 0.000 1.356 73 M HN 0.120 nan 8.290 nan 0.000 0.415 74 V N -2.300 117.623 119.914 0.015 0.000 2.809 74 V HA -0.132 3.988 4.120 -0.001 0.000 0.256 74 V C 1.951 178.048 176.094 0.005 0.000 1.080 74 V CA 1.431 63.740 62.300 0.016 0.000 1.102 74 V CB -0.965 30.868 31.823 0.016 0.000 0.705 74 V HN 0.415 nan 8.190 nan 0.000 0.475 75 K N 0.105 120.505 120.400 -0.001 0.000 2.097 75 K HA -0.159 4.160 4.320 -0.001 0.000 0.205 75 K C 2.272 178.860 176.600 -0.020 0.000 1.050 75 K CA 1.468 57.748 56.287 -0.012 0.000 0.938 75 K CB -0.131 32.362 32.500 -0.011 0.000 0.718 75 K HN 0.467 nan 8.250 nan 0.000 0.442 76 E N 0.422 120.616 120.200 -0.011 0.000 2.333 76 E HA -0.134 4.215 4.350 -0.001 0.000 0.198 76 E C 1.746 178.327 176.600 -0.030 0.000 1.007 76 E CA 0.876 57.267 56.400 -0.015 0.000 0.845 76 E CB 0.241 29.944 29.700 0.005 0.000 0.766 76 E HN 0.170 nan 8.360 nan 0.000 0.507 77 V N 0.273 120.173 119.914 -0.022 0.000 2.374 77 V HA -0.042 4.077 4.120 -0.001 0.000 0.241 77 V C 2.477 178.502 176.094 -0.116 0.000 1.034 77 V CA 1.202 63.481 62.300 -0.036 0.000 1.037 77 V CB -0.986 30.860 31.823 0.038 0.000 0.682 77 V HN 0.168 nan 8.190 nan 0.000 0.463 78 A N 1.787 124.566 122.820 -0.068 0.000 1.903 78 A HA -0.298 4.021 4.320 -0.001 0.000 0.219 78 A C 2.553 180.071 177.584 -0.110 0.000 1.191 78 A CA 3.090 55.082 52.037 -0.075 0.000 0.638 78 A CB -1.070 17.904 19.000 -0.044 0.000 0.823 78 A HN 0.729 nan 8.150 nan 0.000 0.451 79 S N -0.662 114.977 115.700 -0.101 0.000 2.402 79 S HA -0.119 4.350 4.470 -0.001 0.000 0.229 79 S C 1.816 176.319 174.600 -0.161 0.000 1.021 79 S CA 1.458 59.596 58.200 -0.104 0.000 0.974 79 S CB -0.269 62.889 63.200 -0.070 0.000 0.800 79 S HN 0.616 nan 8.310 nan 0.000 0.484 80 K N 1.118 121.370 120.400 -0.247 0.000 2.167 80 K HA 0.261 4.581 4.320 -0.001 0.000 0.203 80 K C 2.467 178.683 176.600 -0.639 0.000 1.052 80 K CA 0.767 56.804 56.287 -0.416 0.000 0.956 80 K CB -0.363 31.851 32.500 -0.476 0.000 0.735 80 K HN 0.471 nan 8.250 nan 0.000 0.451 81 A N 1.677 124.155 122.820 -0.571 0.000 1.933 81 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 81 A C 1.854 179.323 177.584 -0.192 0.000 1.175 81 A CA 1.831 53.642 52.037 -0.377 0.000 0.628 81 A CB -0.604 18.282 19.000 -0.189 0.000 0.814 81 A HN 0.289 nan 8.150 nan 0.000 0.444 82 N N 0.194 118.795 118.700 -0.165 0.000 2.223 82 N HA -0.139 4.600 4.740 -0.001 0.000 0.185 82 N C 1.021 176.473 175.510 -0.097 0.000 1.016 82 N CA 1.683 54.665 53.050 -0.112 0.000 0.863 82 N CB -0.195 38.232 38.487 -0.100 0.000 0.983 82 N HN 0.407 nan 8.380 nan 0.000 0.429 83 D N -0.599 119.729 120.400 -0.119 0.000 2.183 83 D HA 0.016 4.655 4.640 -0.001 0.000 0.203 83 D C 1.629 177.907 176.300 -0.036 0.000 0.969 83 D CA 0.937 54.890 54.000 -0.078 0.000 0.842 83 D CB -0.229 40.515 40.800 -0.093 0.000 0.957 83 D HN 0.409 nan 8.370 nan 0.000 0.484 84 A N 0.427 123.218 122.820 -0.047 0.000 1.898 84 A HA 0.282 4.602 4.320 -0.001 0.000 0.214 84 A C 2.036 179.652 177.584 0.053 0.000 1.183 84 A CA 1.797 53.854 52.037 0.033 0.000 0.622 84 A CB 0.004 19.068 19.000 0.106 0.000 0.824 84 A HN 0.234 nan 8.150 nan 0.000 0.444 85 A N -3.615 119.227 122.820 0.038 0.000 1.975 85 A HA 0.476 4.795 4.320 -0.001 0.000 0.197 85 A C 1.815 179.444 177.584 0.074 0.000 1.537 85 A CA 1.105 53.184 52.037 0.069 0.000 0.972 85 A CB -0.171 18.861 19.000 0.053 0.000 1.019 85 A HN 1.851 nan 8.150 nan 0.000 0.488 86 G N -0.644 108.144 108.800 -0.019 0.000 2.213 86 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.236 86 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.236 86 G C -0.083 174.764 174.900 -0.088 0.000 0.991 86 G CA 0.581 45.611 45.100 -0.116 0.000 0.629 86 G HN 0.809 nan 8.290 nan 0.000 0.517 87 D N -1.137 119.241 120.400 -0.036 0.000 2.423 87 D HA 0.591 5.230 4.640 -0.001 0.000 0.235 87 D C 1.047 177.338 176.300 -0.016 0.000 1.011 87 D CA 0.778 54.764 54.000 -0.024 0.000 0.963 87 D CB 0.991 41.790 40.800 -0.001 0.000 1.349 87 D HN 1.352 nan 8.370 nan 0.000 0.508 88 G N 0.597 109.389 108.800 -0.013 0.000 2.160 88 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.244 88 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.244 88 G C 0.914 175.807 174.900 -0.011 0.000 1.022 88 G CA 1.116 46.214 45.100 -0.004 0.000 0.741 88 G HN 0.721 nan 8.290 nan 0.000 0.508 89 T N -3.511 111.027 114.554 -0.026 0.000 2.896 89 T HA -0.029 4.321 4.350 -0.001 0.000 0.263 89 T C 2.263 176.950 174.700 -0.020 0.000 1.050 89 T CA 2.286 64.365 62.100 -0.034 0.000 1.140 89 T CB -0.368 68.472 68.868 -0.046 0.000 0.877 89 T HN 0.302 nan 8.240 nan 0.000 0.457 90 T N 2.347 116.892 114.554 -0.015 0.000 2.857 90 T HA -0.056 4.294 4.350 -0.001 0.000 0.266 90 T C 2.228 176.927 174.700 -0.000 0.000 1.048 90 T CA 1.711 63.806 62.100 -0.008 0.000 1.139 90 T CB -0.827 68.037 68.868 -0.008 0.000 0.874 90 T HN 0.562 nan 8.240 nan 0.000 0.455 91 T N 2.054 116.610 114.554 0.003 0.000 2.867 91 T HA 0.062 4.412 4.350 -0.001 0.000 0.268 91 T C 2.429 177.140 174.700 0.017 0.000 1.057 91 T CA 0.915 63.022 62.100 0.011 0.000 1.136 91 T CB -0.474 68.402 68.868 0.014 0.000 0.874 91 T HN 0.422 nan 8.240 nan 0.000 0.466 92 A N 1.870 124.700 122.820 0.017 0.000 1.877 92 A HA -0.105 4.214 4.320 -0.001 0.000 0.216 92 A C 2.589 180.188 177.584 0.024 0.000 1.186 92 A CA 1.957 54.011 52.037 0.028 0.000 0.620 92 A CB -1.313 17.700 19.000 0.022 0.000 0.822 92 A HN 0.460 nan 8.150 nan 0.000 0.443 93 T N 0.083 114.643 114.554 0.011 0.000 2.821 93 T HA -0.102 4.248 4.350 -0.001 0.000 0.267 93 T C 1.954 176.662 174.700 0.012 0.000 1.046 93 T CA 1.767 63.872 62.100 0.010 0.000 1.139 93 T CB -0.650 68.219 68.868 0.001 0.000 0.871 93 T HN 0.607 nan 8.240 nan 0.000 0.454 94 V N -0.089 119.832 119.914 0.011 0.000 2.626 94 V HA 0.014 4.134 4.120 -0.001 0.000 0.252 94 V C 2.201 178.304 176.094 0.014 0.000 1.067 94 V CA 1.231 63.537 62.300 0.011 0.000 1.081 94 V CB -1.066 30.762 31.823 0.009 0.000 0.686 94 V HN 0.385 nan 8.190 nan 0.000 0.468 95 L N 0.653 121.887 121.223 0.019 0.000 2.023 95 L HA 0.047 4.386 4.340 -0.001 0.000 0.205 95 L C 3.081 179.965 176.870 0.023 0.000 1.073 95 L CA 1.630 56.483 54.840 0.022 0.000 0.745 95 L CB -0.914 41.162 42.059 0.029 0.000 0.900 95 L HN 0.380 nan 8.230 nan 0.000 0.435 96 A N -0.552 122.284 122.820 0.027 0.000 1.892 96 A HA -0.337 3.982 4.320 -0.001 0.000 0.218 96 A C 2.250 179.846 177.584 0.021 0.000 1.188 96 A CA 2.218 54.272 52.037 0.028 0.000 0.631 96 A CB -0.761 18.258 19.000 0.032 0.000 0.822 96 A HN 0.528 nan 8.150 nan 0.000 0.447 97 Q N -0.762 119.049 119.800 0.017 0.000 2.061 97 Q HA -0.174 4.165 4.340 -0.001 0.000 0.204 97 Q C 2.236 178.243 176.000 0.013 0.000 0.984 97 Q CA 1.788 57.600 55.803 0.014 0.000 0.846 97 Q CB -0.340 28.405 28.738 0.011 0.000 0.902 97 Q HN 0.628 nan 8.270 nan 0.000 0.421 98 A N 0.372 123.200 122.820 0.013 0.000 2.015 98 A HA -0.122 4.198 4.320 -0.001 0.000 0.219 98 A C 1.899 179.490 177.584 0.012 0.000 1.163 98 A CA 1.118 53.162 52.037 0.012 0.000 0.646 98 A CB -0.472 18.535 19.000 0.011 0.000 0.806 98 A HN 0.467 nan 8.150 nan 0.000 0.448 99 I N -0.768 119.811 120.570 0.015 0.000 2.333 99 I HA -0.157 4.012 4.170 -0.001 0.000 0.246 99 I C 2.218 178.343 176.117 0.014 0.000 1.106 99 I CA 0.936 62.245 61.300 0.014 0.000 1.411 99 I CB -0.304 37.706 38.000 0.017 0.000 1.082 99 I HN 0.239 nan 8.210 nan 0.000 0.420 100 I N 0.626 121.205 120.570 0.015 0.000 2.163 100 I HA -0.242 3.927 4.170 -0.001 0.000 0.240 100 I C 2.594 178.718 176.117 0.012 0.000 1.081 100 I CA 1.620 62.929 61.300 0.015 0.000 1.353 100 I CB -0.596 37.414 38.000 0.017 0.000 1.054 100 I HN 0.225 nan 8.210 nan 0.000 0.407 101 T N 0.105 114.665 114.554 0.011 0.000 2.684 101 T HA -0.167 4.182 4.350 -0.001 0.000 0.267 101 T C 1.780 176.485 174.700 0.008 0.000 1.036 101 T CA 1.263 63.368 62.100 0.009 0.000 1.148 101 T CB -0.215 68.658 68.868 0.008 0.000 0.863 101 T HN 0.273 nan 8.240 nan 0.000 0.436 102 E N 0.687 120.892 120.200 0.008 0.000 2.158 102 E HA 0.052 4.401 4.350 -0.001 0.000 0.191 102 E C 2.540 179.145 176.600 0.008 0.000 0.982 102 E CA 0.792 57.197 56.400 0.007 0.000 0.823 102 E CB -0.723 28.982 29.700 0.007 0.000 0.766 102 E HN 0.573 nan 8.360 nan 0.000 0.468 103 G N 1.539 110.345 108.800 0.009 0.000 2.433 103 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 103 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 103 G C 1.719 176.624 174.900 0.009 0.000 1.186 103 G CA 0.470 45.576 45.100 0.009 0.000 0.779 103 G HN 0.177 nan 8.290 nan 0.000 0.543 104 L N 0.026 121.255 121.223 0.010 0.000 2.127 104 L HA -0.084 4.256 4.340 -0.001 0.000 0.211 104 L C 2.924 179.798 176.870 0.007 0.000 1.089 104 L CA 1.145 55.991 54.840 0.009 0.000 0.757 104 L CB -0.342 41.723 42.059 0.009 0.000 0.899 104 L HN 0.204 nan 8.230 nan 0.000 0.434 105 K N 0.067 120.470 120.400 0.006 0.000 2.074 105 K HA -0.207 4.113 4.320 -0.001 0.000 0.209 105 K C 2.199 178.802 176.600 0.005 0.000 1.048 105 K CA 1.560 57.850 56.287 0.005 0.000 0.926 105 K CB -0.184 32.319 32.500 0.005 0.000 0.713 105 K HN 0.328 nan 8.250 nan 0.000 0.444 106 A N 0.571 123.395 122.820 0.006 0.000 1.929 106 A HA -0.085 4.234 4.320 -0.001 0.000 0.216 106 A C 2.252 179.839 177.584 0.006 0.000 1.176 106 A CA 1.187 53.227 52.037 0.005 0.000 0.628 106 A CB -0.388 18.615 19.000 0.006 0.000 0.816 106 A HN 0.087 nan 8.150 nan 0.000 0.444 107 V N -0.088 119.831 119.914 0.007 0.000 2.358 107 V HA -0.210 3.909 4.120 -0.001 0.000 0.246 107 V C 2.956 179.054 176.094 0.007 0.000 1.047 107 V CA 1.844 64.149 62.300 0.008 0.000 1.035 107 V CB -1.335 30.494 31.823 0.010 0.000 0.658 107 V HN 0.563 nan 8.190 nan 0.000 0.452 108 A N 0.054 122.877 122.820 0.006 0.000 2.015 108 A HA 0.061 4.381 4.320 -0.001 0.000 0.219 108 A C 2.348 179.934 177.584 0.003 0.000 1.163 108 A CA 1.604 53.644 52.037 0.004 0.000 0.646 108 A CB -0.575 18.427 19.000 0.003 0.000 0.806 108 A HN 0.564 nan 8.150 nan 0.000 0.448 109 A N -1.403 121.419 122.820 0.003 0.000 2.067 109 A HA 0.367 4.687 4.320 -0.001 0.000 0.219 109 A C 1.641 179.227 177.584 0.002 0.000 1.158 109 A CA 1.476 53.515 52.037 0.003 0.000 0.661 109 A CB -0.691 18.311 19.000 0.003 0.000 0.801 109 A HN 1.888 nan 8.150 nan 0.000 0.452 110 G N -1.666 107.136 108.800 0.003 0.000 2.468 110 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.143 110 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.143 110 G C -0.262 174.640 174.900 0.004 0.000 1.065 110 G CA -0.019 45.083 45.100 0.003 0.000 0.776 110 G HN 0.290 nan 8.290 nan 0.000 0.486 111 M N -0.058 119.545 119.600 0.005 0.000 2.598 111 M HA 0.352 4.831 4.480 -0.001 0.000 0.317 111 M C 0.427 176.731 176.300 0.006 0.000 1.179 111 M CA -0.760 54.543 55.300 0.005 0.000 0.936 111 M CB 1.760 34.363 32.600 0.005 0.000 1.713 111 M HN 0.218 nan 8.290 nan 0.000 0.460 112 N N 1.969 120.673 118.700 0.006 0.000 2.438 112 N HA 0.097 4.836 4.740 -0.001 0.000 0.267 112 N C -1.990 173.525 175.510 0.008 0.000 1.222 112 N CA -1.310 51.744 53.050 0.007 0.000 0.930 112 N CB 0.955 39.445 38.487 0.006 0.000 1.083 112 N HN 0.277 nan 8.380 nan 0.000 0.476 113 P HA -0.176 nan 4.420 nan 0.000 0.216 113 P C 1.378 178.684 177.300 0.010 0.000 1.153 113 P CA 1.044 64.151 63.100 0.011 0.000 0.848 113 P CB 0.203 31.912 31.700 0.015 0.000 0.787 114 M N -0.668 118.938 119.600 0.010 0.000 2.213 114 M HA -0.125 4.354 4.480 -0.001 0.000 0.263 114 M C 1.112 177.416 176.300 0.006 0.000 1.062 114 M CA 1.663 56.968 55.300 0.008 0.000 1.105 114 M CB -1.349 31.256 32.600 0.008 0.000 1.385 114 M HN -0.053 nan 8.290 nan 0.000 0.417 115 D N -0.043 120.360 120.400 0.006 0.000 2.194 115 D HA -0.003 4.636 4.640 -0.001 0.000 0.204 115 D C 2.182 178.484 176.300 0.005 0.000 0.964 115 D CA 0.765 54.768 54.000 0.004 0.000 0.846 115 D CB -0.038 40.764 40.800 0.004 0.000 0.962 115 D HN 0.316 nan 8.370 nan 0.000 0.490 116 L N 0.641 121.867 121.223 0.006 0.000 2.093 116 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 116 L C 2.469 179.342 176.870 0.006 0.000 1.085 116 L CA 0.941 55.784 54.840 0.006 0.000 0.755 116 L CB -0.207 41.857 42.059 0.007 0.000 0.904 116 L HN -0.044 nan 8.230 nan 0.000 0.435 117 K N 0.559 120.962 120.400 0.006 0.000 2.002 117 K HA -0.189 4.130 4.320 -0.001 0.000 0.209 117 K C 2.277 178.879 176.600 0.002 0.000 1.048 117 K CA 1.409 57.698 56.287 0.005 0.000 0.930 117 K CB 0.008 32.512 32.500 0.005 0.000 0.714 117 K HN 0.187 nan 8.250 nan 0.000 0.438 118 R N -0.400 120.101 120.500 0.002 0.000 2.120 118 R HA -0.087 4.252 4.340 -0.001 0.000 0.234 118 R C 2.422 178.722 176.300 -0.000 0.000 1.123 118 R CA 1.196 57.296 56.100 -0.000 0.000 0.975 118 R CB -0.397 29.903 30.300 0.000 0.000 0.866 118 R HN 0.386 nan 8.270 nan 0.000 0.446 119 G N 1.101 109.902 108.800 0.001 0.000 2.402 119 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 119 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 119 G C 1.424 176.325 174.900 0.002 0.000 1.162 119 G CA 0.520 45.622 45.100 0.002 0.000 0.777 119 G HN 0.144 nan 8.290 nan 0.000 0.539 120 I N 0.904 121.476 120.570 0.002 0.000 2.142 120 I HA -0.125 4.045 4.170 -0.001 0.000 0.240 120 I C 2.305 178.421 176.117 -0.001 0.000 1.078 120 I CA 1.255 62.557 61.300 0.002 0.000 1.343 120 I CB -0.164 37.839 38.000 0.004 0.000 1.046 120 I HN 0.029 nan 8.210 nan 0.000 0.405 121 D N 0.707 121.105 120.400 -0.004 0.000 2.144 121 D HA -0.202 4.438 4.640 -0.001 0.000 0.199 121 D C 2.083 178.377 176.300 -0.009 0.000 0.984 121 D CA 1.145 55.139 54.000 -0.010 0.000 0.834 121 D CB -0.157 40.636 40.800 -0.012 0.000 0.955 121 D HN 0.289 nan 8.370 nan 0.000 0.465 122 K N 0.544 120.941 120.400 -0.005 0.000 2.062 122 K HA -0.032 4.287 4.320 -0.001 0.000 0.205 122 K C 2.004 178.602 176.600 -0.003 0.000 1.051 122 K CA 0.959 57.244 56.287 -0.004 0.000 0.941 122 K CB 0.058 32.556 32.500 -0.002 0.000 0.719 122 K HN -0.019 nan 8.250 nan 0.000 0.440 123 A N 0.594 123.414 122.820 -0.001 0.000 1.933 123 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 123 A C 2.166 179.751 177.584 0.001 0.000 1.175 123 A CA 1.384 53.422 52.037 0.001 0.000 0.628 123 A CB -0.446 18.556 19.000 0.003 0.000 0.814 123 A HN 0.163 nan 8.150 nan 0.000 0.444 124 V N -0.401 119.512 119.914 -0.003 0.000 2.323 124 V HA -0.186 3.933 4.120 -0.001 0.000 0.244 124 V C 2.721 178.810 176.094 -0.008 0.000 1.041 124 V CA 2.380 64.677 62.300 -0.005 0.000 1.025 124 V CB -1.163 30.653 31.823 -0.011 0.000 0.656 124 V HN 0.599 nan 8.190 nan 0.000 0.451 125 T N 0.560 115.108 114.554 -0.011 0.000 2.803 125 T HA -0.156 4.194 4.350 -0.001 0.000 0.269 125 T C 1.957 176.653 174.700 -0.006 0.000 1.052 125 T CA 1.537 63.630 62.100 -0.011 0.000 1.136 125 T CB -0.358 68.503 68.868 -0.012 0.000 0.864 125 T HN 0.551 nan 8.240 nan 0.000 0.467 126 A N 1.079 123.898 122.820 -0.003 0.000 1.970 126 A HA 0.396 4.715 4.320 -0.001 0.000 0.216 126 A C 2.586 180.172 177.584 0.003 0.000 1.170 126 A CA 1.339 53.376 52.037 0.001 0.000 0.645 126 A CB -0.803 18.198 19.000 0.002 0.000 0.816 126 A HN 0.490 nan 8.150 nan 0.000 0.447 127 A N -0.515 122.307 122.820 0.003 0.000 1.929 127 A HA 0.082 4.401 4.320 -0.001 0.000 0.216 127 A C 2.140 179.728 177.584 0.007 0.000 1.176 127 A CA 1.527 53.568 52.037 0.007 0.000 0.628 127 A CB -0.728 18.277 19.000 0.008 0.000 0.816 127 A HN 0.323 nan 8.150 nan 0.000 0.444 128 V N -0.043 119.872 119.914 0.003 0.000 2.427 128 V HA -0.203 3.917 4.120 -0.001 0.000 0.248 128 V C 2.563 178.660 176.094 0.004 0.000 1.051 128 V CA 2.312 64.614 62.300 0.003 0.000 1.048 128 V CB -0.603 31.217 31.823 -0.005 0.000 0.666 128 V HN 0.600 nan 8.190 nan 0.000 0.456 129 E N 0.321 120.523 120.200 0.003 0.000 2.106 129 E HA -0.206 4.143 4.350 -0.001 0.000 0.192 129 E C 2.121 178.725 176.600 0.007 0.000 0.984 129 E CA 1.247 57.650 56.400 0.004 0.000 0.806 129 E CB -0.156 29.545 29.700 0.002 0.000 0.750 129 E HN 0.607 nan 8.360 nan 0.000 0.458 130 E N -0.665 119.540 120.200 0.008 0.000 2.152 130 E HA -0.076 4.274 4.350 -0.001 0.000 0.192 130 E C 1.748 178.356 176.600 0.013 0.000 0.983 130 E CA 0.416 56.822 56.400 0.010 0.000 0.818 130 E CB -0.195 29.512 29.700 0.011 0.000 0.758 130 E HN 0.211 nan 8.360 nan 0.000 0.467 131 L N 0.749 121.980 121.223 0.013 0.000 2.093 131 L HA -0.082 4.258 4.340 -0.001 0.000 0.208 131 L C 1.835 178.714 176.870 0.015 0.000 1.085 131 L CA 1.660 56.509 54.840 0.015 0.000 0.755 131 L CB -0.165 41.903 42.059 0.016 0.000 0.904 131 L HN 0.002 nan 8.230 nan 0.000 0.435 132 K N -1.014 119.394 120.400 0.012 0.000 2.147 132 K HA -0.105 4.214 4.320 -0.001 0.000 0.205 132 K C 2.004 178.611 176.600 0.012 0.000 1.049 132 K CA 1.170 57.464 56.287 0.012 0.000 0.936 132 K CB -0.257 32.248 32.500 0.009 0.000 0.722 132 K HN 0.406 nan 8.250 nan 0.000 0.446 133 A N 1.014 123.841 122.820 0.012 0.000 1.968 133 A HA -0.046 4.273 4.320 -0.001 0.000 0.217 133 A C 1.933 179.526 177.584 0.014 0.000 1.169 133 A CA 0.818 52.862 52.037 0.012 0.000 0.638 133 A CB -0.268 18.739 19.000 0.011 0.000 0.812 133 A HN 0.211 nan 8.150 nan 0.000 0.446 134 L N -0.471 120.762 121.223 0.016 0.000 2.492 134 L HA 0.066 4.406 4.340 -0.001 0.000 0.223 134 L C 1.098 177.979 176.870 0.019 0.000 1.132 134 L CA 0.075 54.926 54.840 0.019 0.000 0.850 134 L CB 0.010 42.083 42.059 0.022 0.000 0.966 134 L HN 0.351 nan 8.230 nan 0.000 0.454 135 S N -0.341 115.369 115.700 0.017 0.000 2.549 135 S HA 0.181 4.650 4.470 -0.001 0.000 0.279 135 S C -0.194 174.414 174.600 0.015 0.000 1.321 135 S CA -0.482 57.728 58.200 0.016 0.000 1.054 135 S CB 0.907 64.116 63.200 0.015 0.000 0.899 135 S HN 0.002 nan 8.310 nan 0.000 0.497 136 V N 8.531 128.454 119.914 0.015 0.000 2.311 136 V HA 0.352 4.472 4.120 -0.001 0.000 0.275 136 V C -2.102 173.999 176.094 0.011 0.000 1.022 136 V CA -1.780 60.528 62.300 0.013 0.000 0.830 136 V CB 0.824 32.655 31.823 0.014 0.000 1.012 136 V HN 0.745 nan 8.190 nan 0.000 0.452 137 P HA 0.204 nan 4.420 nan 0.000 0.272 137 P C -0.598 176.706 177.300 0.007 0.000 1.223 137 P CA -0.369 62.736 63.100 0.008 0.000 0.784 137 P CB 0.499 32.204 31.700 0.007 0.000 0.923 138 C N 2.336 121.640 119.300 0.006 0.000 2.250 138 C HA 0.305 4.765 4.460 -0.001 0.000 0.319 138 C C 1.614 176.605 174.990 0.003 0.000 1.124 138 C CA 0.265 59.285 59.018 0.004 0.000 1.527 138 C CB -0.725 27.017 27.740 0.004 0.000 2.001 138 C HN 0.589 nan 8.230 nan 0.000 0.435 139 S N 1.396 117.097 115.700 0.003 0.000 2.431 139 S HA 0.023 4.492 4.470 -0.001 0.000 0.210 139 S C 0.645 175.246 174.600 0.001 0.000 1.013 139 S CA 0.279 58.480 58.200 0.002 0.000 0.920 139 S CB -0.138 63.063 63.200 0.002 0.000 0.882 139 S HN 0.920 nan 8.310 nan 0.000 0.567 140 D N 1.946 122.347 120.400 0.001 0.000 2.362 140 D HA 0.064 4.704 4.640 -0.001 0.000 0.242 140 D C 0.713 177.013 176.300 -0.000 0.000 1.132 140 D CA 0.171 54.171 54.000 0.000 0.000 0.907 140 D CB 0.833 41.633 40.800 0.001 0.000 1.195 140 D HN 0.276 nan 8.370 nan 0.000 0.429 141 S N 0.128 115.828 115.700 -0.001 0.000 2.603 141 S HA -0.115 4.354 4.470 -0.001 0.000 0.229 141 S C 1.370 175.969 174.600 -0.001 0.000 0.972 141 S CA 0.295 58.494 58.200 -0.002 0.000 0.935 141 S CB -0.183 63.016 63.200 -0.003 0.000 0.769 141 S HN 0.584 nan 8.310 nan 0.000 0.536 142 K N 1.024 121.424 120.400 -0.000 0.000 2.166 142 K HA 0.298 4.618 4.320 -0.001 0.000 0.201 142 K C 2.132 178.732 176.600 0.001 0.000 1.052 142 K CA 0.751 57.038 56.287 0.000 0.000 0.969 142 K CB -0.321 32.179 32.500 0.001 0.000 0.761 142 K HN 0.409 nan 8.250 nan 0.000 0.459 143 A N 0.715 123.536 122.820 0.001 0.000 2.072 143 A HA 0.043 4.362 4.320 -0.001 0.000 0.216 143 A C 1.837 179.422 177.584 0.002 0.000 1.156 143 A CA 0.583 52.621 52.037 0.002 0.000 0.701 143 A CB -0.316 18.686 19.000 0.003 0.000 0.816 143 A HN 0.251 nan 8.150 nan 0.000 0.458 144 I N -0.297 120.273 120.570 0.001 0.000 2.315 144 I HA -0.221 3.948 4.170 -0.001 0.000 0.248 144 I C 2.843 178.960 176.117 -0.000 0.000 1.117 144 I CA 0.947 62.247 61.300 -0.000 0.000 1.404 144 I CB -0.151 37.848 38.000 -0.002 0.000 1.071 144 I HN 0.338 nan 8.210 nan 0.000 0.419 145 A N 0.042 122.862 122.820 -0.000 0.000 1.969 145 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 145 A C 2.242 179.826 177.584 0.000 0.000 1.169 145 A CA 1.287 53.323 52.037 -0.000 0.000 0.635 145 A CB -0.455 18.544 19.000 -0.001 0.000 0.810 145 A HN 0.446 nan 8.150 nan 0.000 0.445 146 Q N -0.493 119.307 119.800 0.001 0.000 2.119 146 Q HA -0.105 4.234 4.340 -0.001 0.000 0.201 146 Q C 2.083 178.084 176.000 0.002 0.000 0.972 146 Q CA 1.608 57.411 55.803 0.001 0.000 0.847 146 Q CB -0.255 28.484 28.738 0.002 0.000 0.903 146 Q HN 0.537 nan 8.270 nan 0.000 0.433 147 V N -0.053 119.862 119.914 0.003 0.000 2.379 147 V HA -0.129 3.991 4.120 -0.001 0.000 0.245 147 V C 2.177 178.274 176.094 0.005 0.000 1.044 147 V CA 1.857 64.159 62.300 0.004 0.000 1.036 147 V CB -0.942 30.884 31.823 0.006 0.000 0.664 147 V HN 0.478 nan 8.190 nan 0.000 0.453 148 G N -0.450 108.352 108.800 0.004 0.000 2.471 148 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.219 148 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.219 148 G C 1.620 176.522 174.900 0.003 0.000 1.125 148 G CA 1.376 46.479 45.100 0.005 0.000 0.775 148 G HN 0.486 nan 8.290 nan 0.000 0.548 149 T N 1.314 115.868 114.554 0.001 0.000 2.770 149 T HA 0.016 4.366 4.350 -0.001 0.000 0.258 149 T C 2.361 177.060 174.700 -0.001 0.000 1.039 149 T CA 0.801 62.901 62.100 -0.000 0.000 1.143 149 T CB -0.110 68.757 68.868 -0.001 0.000 0.866 149 T HN 0.268 nan 8.240 nan 0.000 0.428 150 I N 1.322 121.891 120.570 -0.002 0.000 2.546 150 I HA -0.049 4.121 4.170 -0.001 0.000 0.255 150 I C 2.353 178.468 176.117 -0.003 0.000 1.163 150 I CA 0.638 61.936 61.300 -0.004 0.000 1.457 150 I CB -0.302 37.695 38.000 -0.005 0.000 1.092 150 I HN 0.126 nan 8.210 nan 0.000 0.434 151 S N 0.856 116.557 115.700 0.001 0.000 2.461 151 S HA 0.088 4.558 4.470 -0.001 0.000 0.228 151 S C 1.670 176.271 174.600 0.003 0.000 1.005 151 S CA 0.921 59.123 58.200 0.004 0.000 0.942 151 S CB -0.035 63.171 63.200 0.010 0.000 0.776 151 S HN 0.500 nan 8.310 nan 0.000 0.514 152 A N 1.484 124.305 122.820 0.002 0.000 2.708 152 A HA 0.466 4.785 4.320 -0.001 0.000 0.293 152 A C 0.430 178.012 177.584 -0.002 0.000 1.303 152 A CA -0.519 51.518 52.037 0.001 0.000 0.949 152 A CB -0.566 18.435 19.000 0.003 0.000 1.121 152 A HN 0.311 nan 8.150 nan 0.000 0.542 153 N N 0.211 118.908 118.700 -0.005 0.000 2.681 153 N HA -0.203 4.536 4.740 -0.001 0.000 0.259 153 N C 0.198 175.704 175.510 -0.007 0.000 1.066 153 N CA 1.028 54.073 53.050 -0.007 0.000 0.717 153 N CB -1.876 36.606 38.487 -0.008 0.000 0.885 153 N HN 0.549 nan 8.380 nan 0.000 0.547 154 S N -1.093 114.603 115.700 -0.007 0.000 3.533 154 S HA -0.239 4.231 4.470 -0.001 0.000 0.347 154 S C -0.327 174.270 174.600 -0.005 0.000 1.101 154 S CA 0.980 59.175 58.200 -0.007 0.000 1.009 154 S CB -0.806 62.389 63.200 -0.009 0.000 0.916 154 S HN 0.726 nan 8.310 nan 0.000 0.496 155 D N 0.861 121.259 120.400 -0.004 0.000 2.359 155 D HA 0.265 4.904 4.640 -0.001 0.000 0.230 155 D C 0.983 177.282 176.300 -0.002 0.000 1.118 155 D CA -0.347 53.651 54.000 -0.003 0.000 0.844 155 D CB 0.769 41.567 40.800 -0.002 0.000 1.059 155 D HN 0.416 nan 8.370 nan 0.000 0.493 156 E N 1.166 121.365 120.200 -0.002 0.000 2.285 156 E HA -0.060 4.290 4.350 -0.001 0.000 0.194 156 E C 1.319 177.918 176.600 -0.002 0.000 0.997 156 E CA 0.680 57.079 56.400 -0.002 0.000 0.845 156 E CB 0.430 30.128 29.700 -0.002 0.000 0.782 156 E HN 0.475 nan 8.360 nan 0.000 0.491 157 T N 0.580 115.133 114.554 -0.002 0.000 2.867 157 T HA -0.091 4.258 4.350 -0.001 0.000 0.268 157 T C 2.115 176.814 174.700 -0.001 0.000 1.057 157 T CA 0.729 62.828 62.100 -0.002 0.000 1.136 157 T CB -0.065 68.802 68.868 -0.002 0.000 0.874 157 T HN -0.016 nan 8.240 nan 0.000 0.466 158 V N 1.673 121.587 119.914 -0.001 0.000 2.270 158 V HA -0.031 4.088 4.120 -0.001 0.000 0.245 158 V C 2.953 179.047 176.094 0.000 0.000 1.043 158 V CA 1.946 64.246 62.300 0.000 0.000 1.014 158 V CB -1.410 30.414 31.823 0.002 0.000 0.645 158 V HN 0.564 nan 8.190 nan 0.000 0.447 159 G N -0.616 108.184 108.800 -0.000 0.000 2.448 159 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.219 159 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.219 159 G C 1.642 176.542 174.900 -0.001 0.000 1.127 159 G CA 0.935 46.035 45.100 -0.000 0.000 0.766 159 G HN 0.483 nan 8.290 nan 0.000 0.552 160 K N -0.176 120.223 120.400 -0.002 0.000 2.097 160 K HA 0.122 4.441 4.320 -0.001 0.000 0.205 160 K C 2.418 179.016 176.600 -0.003 0.000 1.050 160 K CA 0.524 56.809 56.287 -0.002 0.000 0.938 160 K CB -0.184 32.315 32.500 -0.002 0.000 0.718 160 K HN 0.325 nan 8.250 nan 0.000 0.442 161 L N 0.742 121.963 121.223 -0.003 0.000 2.056 161 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 161 L C 2.255 179.122 176.870 -0.005 0.000 1.078 161 L CA 0.930 55.768 54.840 -0.004 0.000 0.749 161 L CB -0.256 41.801 42.059 -0.003 0.000 0.901 161 L HN 0.182 nan 8.230 nan 0.000 0.433 162 I N -0.208 120.359 120.570 -0.005 0.000 2.179 162 I HA -0.274 3.895 4.170 -0.001 0.000 0.242 162 I C 2.791 178.904 176.117 -0.008 0.000 1.088 162 I CA 1.208 62.504 61.300 -0.007 0.000 1.357 162 I CB -0.561 37.435 38.000 -0.006 0.000 1.051 162 I HN 0.176 nan 8.210 nan 0.000 0.409 163 A N 0.350 123.166 122.820 -0.006 0.000 1.933 163 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 163 A C 2.251 179.832 177.584 -0.006 0.000 1.175 163 A CA 1.705 53.739 52.037 -0.005 0.000 0.628 163 A CB -0.557 18.441 19.000 -0.004 0.000 0.814 163 A HN 0.457 nan 8.150 nan 0.000 0.444 164 E N -0.568 119.629 120.200 -0.005 0.000 2.152 164 E HA -0.033 4.316 4.350 -0.001 0.000 0.192 164 E C 2.265 178.861 176.600 -0.007 0.000 0.983 164 E CA 0.711 57.108 56.400 -0.006 0.000 0.818 164 E CB -0.187 29.510 29.700 -0.005 0.000 0.758 164 E HN 0.630 nan 8.360 nan 0.000 0.467 165 A N 0.922 123.737 122.820 -0.008 0.000 1.929 165 A HA -0.105 4.214 4.320 -0.001 0.000 0.216 165 A C 2.076 179.653 177.584 -0.011 0.000 1.176 165 A CA 0.985 53.016 52.037 -0.010 0.000 0.628 165 A CB -0.270 18.722 19.000 -0.012 0.000 0.816 165 A HN 0.126 nan 8.150 nan 0.000 0.444 166 M N -1.046 118.547 119.600 -0.011 0.000 2.492 166 M HA -0.060 4.419 4.480 -0.001 0.000 0.262 166 M C 1.205 177.499 176.300 -0.009 0.000 1.090 166 M CA 1.173 56.466 55.300 -0.012 0.000 1.110 166 M CB -0.295 32.298 32.600 -0.012 0.000 1.407 166 M HN 0.337 nan 8.290 nan 0.000 0.470 167 D N 0.374 120.769 120.400 -0.008 0.000 2.347 167 D HA -0.048 4.592 4.640 -0.001 0.000 0.213 167 D C 2.003 178.299 176.300 -0.006 0.000 0.985 167 D CA 0.794 54.790 54.000 -0.006 0.000 0.879 167 D CB 0.435 41.232 40.800 -0.005 0.000 0.919 167 D HN 0.033 nan 8.370 nan 0.000 0.526 168 K N -0.453 119.943 120.400 -0.007 0.000 2.121 168 K HA 0.052 4.371 4.320 -0.001 0.000 0.203 168 K C 1.904 178.500 176.600 -0.007 0.000 1.041 168 K CA 0.882 57.165 56.287 -0.007 0.000 0.969 168 K CB 0.032 32.528 32.500 -0.007 0.000 0.799 168 K HN 0.159 nan 8.250 nan 0.000 0.456 169 V N -2.471 117.438 119.914 -0.009 0.000 3.590 169 V HA 0.353 4.472 4.120 -0.001 0.000 0.265 169 V C 0.836 176.924 176.094 -0.009 0.000 1.239 169 V CA 0.427 62.722 62.300 -0.009 0.000 1.117 169 V CB -0.294 31.522 31.823 -0.011 0.000 0.818 169 V HN 0.391 nan 8.190 nan 0.000 0.451 170 G N 0.959 109.753 108.800 -0.009 0.000 2.566 170 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.599 170 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.599 170 G C 0.010 174.903 174.900 -0.011 0.000 1.292 170 G CA 0.003 45.098 45.100 -0.009 0.000 0.922 170 G HN 0.271 nan 8.290 nan 0.000 0.514 171 K N 0.027 120.421 120.400 -0.010 0.000 2.228 171 K HA 0.054 4.374 4.320 -0.001 0.000 0.202 171 K C 1.814 178.405 176.600 -0.014 0.000 1.051 171 K CA 1.434 57.714 56.287 -0.012 0.000 0.960 171 K CB 0.074 32.569 32.500 -0.008 0.000 0.743 171 K HN 0.467 nan 8.250 nan 0.000 0.458 172 E N 0.628 120.821 120.200 -0.012 0.000 2.447 172 E HA 0.028 4.377 4.350 -0.001 0.000 0.195 172 E C 1.004 177.596 176.600 -0.014 0.000 1.028 172 E CA 0.064 56.457 56.400 -0.012 0.000 0.876 172 E CB 0.248 29.944 29.700 -0.006 0.000 0.885 172 E HN 0.235 nan 8.360 nan 0.000 0.500 173 G N 1.309 110.101 108.800 -0.015 0.000 2.664 173 G HA2 0.214 4.173 3.960 -0.001 0.000 0.242 173 G HA3 0.214 4.173 3.960 -0.001 0.000 0.242 173 G C 0.083 174.970 174.900 -0.022 0.000 1.225 173 G CA -0.430 44.661 45.100 -0.015 0.000 0.849 173 G HN -0.044 nan 8.290 nan 0.000 0.581 174 V N 1.156 121.057 119.914 -0.021 0.000 2.383 174 V HA 0.386 4.506 4.120 -0.001 0.000 0.275 174 V C 0.140 176.215 176.094 -0.030 0.000 1.036 174 V CA -0.220 62.062 62.300 -0.029 0.000 0.889 174 V CB 0.834 32.642 31.823 -0.024 0.000 0.985 174 V HN 0.481 nan 8.190 nan 0.000 0.459 175 I N 4.250 124.795 120.570 -0.040 0.000 2.436 175 I HA 0.600 4.769 4.170 -0.001 0.000 0.289 175 I C -0.046 176.048 176.117 -0.037 0.000 1.010 175 I CA -0.098 61.181 61.300 -0.035 0.000 1.098 175 I CB 2.229 40.207 38.000 -0.036 0.000 1.266 175 I HN 0.560 nan 8.210 nan 0.000 0.434 176 T N 4.585 119.124 114.554 -0.026 0.000 2.900 176 T HA 0.591 4.940 4.350 -0.001 0.000 0.295 176 T C -0.593 174.100 174.700 -0.013 0.000 1.044 176 T CA -0.651 61.437 62.100 -0.021 0.000 0.995 176 T CB 2.501 71.356 68.868 -0.022 0.000 1.072 176 T HN 0.159 nan 8.240 nan 0.000 0.473 177 V N 2.916 122.827 119.914 -0.006 0.000 2.459 177 V HA 0.603 4.722 4.120 -0.001 0.000 0.295 177 V C -0.154 175.939 176.094 -0.001 0.000 1.029 177 V CA -0.625 61.674 62.300 -0.002 0.000 0.874 177 V CB 1.520 33.346 31.823 0.005 0.000 0.985 177 V HN 1.032 nan 8.190 nan 0.000 0.438 178 E N 2.531 122.729 120.200 -0.003 0.000 2.445 178 E HA 0.499 4.849 4.350 -0.001 0.000 0.273 178 E C -1.510 175.088 176.600 -0.003 0.000 0.961 178 E CA -1.125 55.273 56.400 -0.004 0.000 0.807 178 E CB 1.471 31.167 29.700 -0.007 0.000 1.362 178 E HN 0.448 nan 8.360 nan 0.000 0.453 179 D N 0.572 120.970 120.400 -0.004 0.000 2.443 179 D HA 0.158 4.797 4.640 -0.001 0.000 0.239 179 D C 0.170 176.467 176.300 -0.005 0.000 1.136 179 D CA 0.507 54.504 54.000 -0.004 0.000 0.879 179 D CB 1.091 41.888 40.800 -0.004 0.000 1.195 179 D HN 0.537 nan 8.370 nan 0.000 0.443 180 G N -0.176 108.621 108.800 -0.004 0.000 2.537 180 G HA2 0.273 4.232 3.960 -0.001 0.000 0.273 180 G HA3 0.273 4.232 3.960 -0.001 0.000 0.273 180 G C 1.065 175.962 174.900 -0.004 0.000 1.189 180 G CA -0.233 44.865 45.100 -0.004 0.000 0.881 180 G HN 0.454 nan 8.290 nan 0.000 0.535 181 T N -2.276 112.276 114.554 -0.005 0.000 3.031 181 T HA 0.413 4.762 4.350 -0.001 0.000 0.254 181 T C 1.271 175.969 174.700 -0.004 0.000 1.060 181 T CA 1.120 63.218 62.100 -0.005 0.000 1.135 181 T CB 0.253 69.118 68.868 -0.005 0.000 0.896 181 T HN 1.003 nan 8.240 nan 0.000 0.472 182 G N 0.834 109.632 108.800 -0.004 0.000 3.319 182 G HA2 0.456 4.416 3.960 -0.001 0.000 0.158 182 G HA3 0.456 4.416 3.960 -0.001 0.000 0.158 182 G C -0.232 174.666 174.900 -0.003 0.000 1.205 182 G CA -0.014 45.085 45.100 -0.003 0.000 1.252 182 G HN 0.253 nan 8.290 nan 0.000 0.668 183 L N -0.065 121.157 121.223 -0.003 0.000 2.664 183 L HA 0.552 4.891 4.340 -0.001 0.000 0.233 183 L C 0.560 177.429 176.870 -0.002 0.000 1.113 183 L CA 0.536 55.375 54.840 -0.002 0.000 0.896 183 L CB 0.192 42.250 42.059 -0.002 0.000 1.163 183 L HN 0.409 nan 8.230 nan 0.000 0.497 184 Q N 0.093 119.891 119.800 -0.003 0.000 2.377 184 Q HA 0.285 4.625 4.340 -0.001 0.000 0.271 184 Q C -1.175 174.824 176.000 -0.003 0.000 1.077 184 Q CA -0.880 54.921 55.803 -0.003 0.000 0.820 184 Q CB 1.787 30.523 28.738 -0.003 0.000 1.347 184 Q HN 0.083 nan 8.270 nan 0.000 0.444 185 D N 2.694 123.092 120.400 -0.003 0.000 2.371 185 D HA 0.057 4.696 4.640 -0.001 0.000 0.256 185 D C -0.437 175.861 176.300 -0.004 0.000 1.193 185 D CA 0.605 54.603 54.000 -0.003 0.000 0.881 185 D CB 0.832 41.631 40.800 -0.003 0.000 1.143 185 D HN 0.334 nan 8.370 nan 0.000 0.473 186 E N 0.864 121.061 120.200 -0.004 0.000 2.212 186 E HA 0.564 4.914 4.350 -0.001 0.000 0.270 186 E C -0.727 175.870 176.600 -0.005 0.000 0.956 186 E CA -1.032 55.365 56.400 -0.005 0.000 0.825 186 E CB 2.305 32.002 29.700 -0.005 0.000 1.167 186 E HN 0.109 nan 8.360 nan 0.000 0.400 187 L N 2.682 123.902 121.223 -0.006 0.000 2.555 187 L HA 0.358 4.697 4.340 -0.001 0.000 0.264 187 L C -1.913 174.953 176.870 -0.006 0.000 0.972 187 L CA -0.273 54.563 54.840 -0.006 0.000 0.876 187 L CB 1.309 43.365 42.059 -0.006 0.000 1.216 187 L HN 0.383 nan 8.230 nan 0.000 0.415 188 D N 3.597 123.993 120.400 -0.007 0.000 2.433 188 D HA 0.554 5.193 4.640 -0.001 0.000 0.236 188 D C -0.877 175.419 176.300 -0.008 0.000 1.026 188 D CA -0.289 53.707 54.000 -0.007 0.000 0.884 188 D CB 2.964 43.759 40.800 -0.007 0.000 1.384 188 D HN 0.202 nan 8.370 nan 0.000 0.477 189 V N 1.510 121.420 119.914 -0.007 0.000 2.313 189 V HA 0.306 4.426 4.120 -0.001 0.000 0.278 189 V C 0.322 176.412 176.094 -0.006 0.000 1.017 189 V CA -0.696 61.600 62.300 -0.007 0.000 0.823 189 V CB 1.106 32.925 31.823 -0.006 0.000 1.010 189 V HN 0.418 nan 8.190 nan 0.000 0.443 190 V N 1.645 121.555 119.914 -0.007 0.000 2.850 190 V HA 0.647 4.767 4.120 -0.001 0.000 0.315 190 V C 0.085 176.177 176.094 -0.004 0.000 1.064 190 V CA -0.988 61.309 62.300 -0.006 0.000 0.979 190 V CB 1.930 33.748 31.823 -0.008 0.000 1.039 190 V HN 0.674 nan 8.190 nan 0.000 0.452 191 E N 2.311 122.509 120.200 -0.003 0.000 2.238 191 E HA 0.496 4.845 4.350 -0.001 0.000 0.264 191 E C 0.272 176.874 176.600 0.003 0.000 1.136 191 E CA 0.633 57.033 56.400 0.000 0.000 0.929 191 E CB 0.737 30.437 29.700 -0.000 0.000 1.010 191 E HN 1.080 nan 8.360 nan 0.000 0.440 192 G N 1.703 110.508 108.800 0.007 0.000 2.721 192 G HA2 0.688 4.648 3.960 -0.001 0.000 0.296 192 G HA3 0.688 4.648 3.960 -0.001 0.000 0.296 192 G C -1.150 173.766 174.900 0.026 0.000 1.383 192 G CA -0.637 44.472 45.100 0.015 0.000 0.788 192 G HN 0.370 nan 8.290 nan 0.000 0.500 193 M N -0.022 119.603 119.600 0.043 0.000 2.520 193 M HA 0.498 4.977 4.480 -0.001 0.000 0.280 193 M C -2.058 174.288 176.300 0.076 0.000 1.232 193 M CA -0.631 54.712 55.300 0.071 0.000 0.892 193 M CB 2.708 35.374 32.600 0.109 0.000 1.728 193 M HN 0.628 nan 8.290 nan 0.000 0.475 194 Q N 3.625 123.467 119.800 0.071 0.000 2.323 194 Q HA 0.636 4.975 4.340 -0.001 0.000 0.271 194 Q C -2.085 173.963 176.000 0.081 0.000 1.048 194 Q CA -0.603 55.196 55.803 -0.007 0.000 0.792 194 Q CB 1.977 30.682 28.738 -0.056 0.000 1.280 194 Q HN 0.597 nan 8.270 nan 0.000 0.441 195 F N -0.082 119.864 119.950 -0.007 0.000 2.631 195 F HA 0.576 5.102 4.527 -0.001 0.000 0.328 195 F C -0.534 175.264 175.800 -0.003 0.000 1.067 195 F CA -1.242 56.757 58.000 -0.002 0.000 0.969 195 F CB 0.969 39.971 39.000 0.003 0.000 1.332 195 F HN 0.282 nan 8.300 nan 0.000 0.490 196 D N 2.108 122.642 120.400 0.224 0.000 2.845 196 D HA 0.274 4.914 4.640 -0.001 0.000 0.235 196 D C -0.252 176.133 176.300 0.142 0.000 1.158 196 D CA 0.187 54.250 54.000 0.105 0.000 0.990 196 D CB -0.158 40.699 40.800 0.094 0.000 1.094 196 D HN 0.255 nan 8.370 nan 0.000 0.486 197 R N -0.130 120.432 120.500 0.102 0.000 2.808 197 R HA 0.782 5.121 4.340 -0.001 0.000 0.272 197 R C 0.309 176.576 176.300 -0.055 0.000 0.995 197 R CA -0.868 55.292 56.100 0.099 0.000 0.917 197 R CB 2.117 32.606 30.300 0.315 0.000 1.217 197 R HN 0.269 nan 8.270 nan 0.000 0.471 198 G N 0.128 108.887 108.800 -0.069 0.000 3.108 198 G HA2 0.469 4.429 3.960 -0.001 0.000 0.268 198 G HA3 0.469 4.429 3.960 -0.001 0.000 0.268 198 G C -1.042 173.800 174.900 -0.096 0.000 1.361 198 G CA -0.571 44.419 45.100 -0.183 0.000 1.047 198 G HN 0.443 nan 8.290 nan 0.000 0.540 199 Y N -0.756 119.553 120.300 0.016 0.000 2.511 199 Y HA 0.401 4.951 4.550 -0.001 0.000 0.332 199 Y C 1.214 177.166 175.900 0.087 0.000 1.177 199 Y CA -1.248 56.874 58.100 0.037 0.000 1.422 199 Y CB 0.725 39.238 38.460 0.088 0.000 1.271 199 Y HN 0.265 nan 8.280 nan 0.000 0.550 200 L N 1.842 123.256 121.223 0.318 0.000 2.478 200 L HA 0.070 4.409 4.340 -0.001 0.000 0.223 200 L C 0.523 177.609 176.870 0.360 0.000 1.140 200 L CA 0.885 55.887 54.840 0.271 0.000 0.842 200 L CB 0.054 42.226 42.059 0.188 0.000 0.953 200 L HN 0.805 nan 8.230 nan 0.000 0.452 201 S N -2.057 113.953 115.700 0.516 0.000 2.536 201 S HA 0.410 4.879 4.470 -0.001 0.000 0.271 201 S C -2.322 172.348 174.600 0.116 0.000 1.134 201 S CA -1.025 57.388 58.200 0.356 0.000 0.897 201 S CB 1.713 65.078 63.200 0.275 0.000 1.094 201 S HN -0.216 nan 8.310 nan 0.000 0.473 202 P HA 0.121 nan 4.420 nan 0.000 0.242 202 P C -0.014 176.933 177.300 -0.588 0.000 1.197 202 P CA 0.460 63.180 63.100 -0.633 0.000 0.765 202 P CB -0.170 31.333 31.700 -0.327 0.000 0.936 203 Y N -2.328 117.751 120.300 -0.368 0.000 2.471 203 Y HA 0.159 4.709 4.550 -0.000 0.000 0.286 203 Y C 1.256 176.854 175.900 -0.502 0.000 1.188 203 Y CA 0.385 58.240 58.100 -0.408 0.000 1.286 203 Y CB -0.816 37.401 38.460 -0.404 0.000 1.072 203 Y HN -0.072 nan 8.280 nan 0.000 0.517 204 F N -0.915 118.958 119.950 -0.128 0.000 2.746 204 F HA 0.179 4.705 4.527 -0.001 0.000 0.297 204 F C 0.858 176.586 175.800 -0.120 0.000 1.113 204 F CA -0.396 57.548 58.000 -0.093 0.000 1.367 204 F CB -0.146 38.810 39.000 -0.073 0.000 1.111 204 F HN -0.173 nan 8.300 nan 0.000 0.590 205 I N 3.491 124.014 120.570 -0.077 0.000 2.849 205 I HA -0.139 4.031 4.170 -0.001 0.000 0.288 205 I C 1.006 177.110 176.117 -0.022 0.000 1.156 205 I CA 0.206 61.463 61.300 -0.072 0.000 1.394 205 I CB -0.111 37.802 38.000 -0.146 0.000 1.462 205 I HN 0.247 nan 8.210 nan 0.000 0.587 206 N N 6.226 124.935 118.700 0.016 0.000 2.236 206 N HA -0.019 4.721 4.740 -0.001 0.000 0.196 206 N C 0.200 175.714 175.510 0.005 0.000 1.114 206 N CA 0.056 53.114 53.050 0.013 0.000 0.859 206 N CB 0.449 38.955 38.487 0.031 0.000 0.982 206 N HN 0.439 nan 8.380 nan 0.000 0.493 207 K N 1.939 122.343 120.400 0.006 0.000 2.432 207 K HA 0.264 4.583 4.320 -0.001 0.000 0.226 207 K C -1.835 174.762 176.600 -0.005 0.000 1.057 207 K CA -1.774 54.514 56.287 0.002 0.000 1.034 207 K CB 1.985 34.490 32.500 0.009 0.000 1.561 207 K HN 0.012 nan 8.250 nan 0.000 0.492 208 P HA -0.168 nan 4.420 nan 0.000 0.218 208 P C 0.729 178.018 177.300 -0.018 0.000 1.148 208 P CA 1.243 64.330 63.100 -0.021 0.000 0.822 208 P CB 0.544 32.229 31.700 -0.024 0.000 0.784 209 E N -0.445 119.746 120.200 -0.015 0.000 2.072 209 E HA -0.101 4.248 4.350 -0.001 0.000 0.191 209 E C 2.015 178.604 176.600 -0.019 0.000 0.985 209 E CA 1.857 58.247 56.400 -0.017 0.000 0.801 209 E CB -0.858 28.832 29.700 -0.015 0.000 0.750 209 E HN 0.270 nan 8.360 nan 0.000 0.452 210 T N -1.337 113.211 114.554 -0.010 0.000 2.857 210 T HA 0.043 4.393 4.350 -0.001 0.000 0.266 210 T C 1.389 176.091 174.700 0.002 0.000 1.048 210 T CA 0.855 62.952 62.100 -0.006 0.000 1.139 210 T CB -0.272 68.602 68.868 0.010 0.000 0.874 210 T HN 0.367 nan 8.240 nan 0.000 0.455 211 G N 1.531 110.338 108.800 0.012 0.000 2.256 211 G HA2 0.138 4.097 3.960 -0.001 0.000 0.272 211 G HA3 0.138 4.097 3.960 -0.001 0.000 0.272 211 G C -0.011 174.950 174.900 0.101 0.000 1.076 211 G CA 0.024 45.145 45.100 0.035 0.000 0.882 211 G HN 0.997 nan 8.290 nan 0.000 0.497 212 A N -1.736 121.136 122.820 0.086 0.000 2.583 212 A HA 0.961 5.281 4.320 -0.001 0.000 0.289 212 A C -0.348 177.292 177.584 0.093 0.000 1.151 212 A CA -0.066 52.053 52.037 0.136 0.000 0.695 212 A CB 1.548 20.606 19.000 0.097 0.000 1.290 212 A HN 1.431 nan 8.150 nan 0.000 0.419 213 V N 0.182 120.166 119.914 0.117 0.000 2.732 213 V HA 0.751 4.871 4.120 -0.001 0.000 0.310 213 V C -0.125 176.000 176.094 0.051 0.000 1.053 213 V CA -0.443 61.908 62.300 0.084 0.000 0.957 213 V CB 1.564 33.449 31.823 0.103 0.000 1.018 213 V HN 0.922 nan 8.190 nan 0.000 0.452 214 E N 2.592 122.815 120.200 0.039 0.000 2.291 214 E HA 0.619 4.968 4.350 -0.001 0.000 0.276 214 E C -2.034 174.576 176.600 0.018 0.000 0.896 214 E CA -0.570 55.842 56.400 0.021 0.000 0.774 214 E CB 1.798 31.509 29.700 0.017 0.000 1.227 214 E HN 0.665 nan 8.360 nan 0.000 0.413 215 L N 3.252 124.478 121.223 0.006 0.000 2.406 215 L HA 0.507 4.846 4.340 -0.001 0.000 0.272 215 L C -0.485 176.378 176.870 -0.013 0.000 0.980 215 L CA -0.857 53.985 54.840 0.003 0.000 0.831 215 L CB 1.999 44.060 42.059 0.004 0.000 1.253 215 L HN 0.480 nan 8.230 nan 0.000 0.406 216 E N 1.442 121.634 120.200 -0.014 0.000 2.200 216 E HA 0.253 4.602 4.350 -0.001 0.000 0.283 216 E C -0.031 176.535 176.600 -0.056 0.000 1.015 216 E CA -0.405 55.978 56.400 -0.029 0.000 0.819 216 E CB 1.297 30.985 29.700 -0.019 0.000 1.081 216 E HN 0.614 nan 8.360 nan 0.000 0.397 217 S N 2.443 118.092 115.700 -0.085 0.000 3.550 217 S HA -0.115 4.354 4.470 -0.001 0.000 0.372 217 S C -2.340 172.115 174.600 -0.242 0.000 0.966 217 S CA -0.010 58.095 58.200 -0.158 0.000 1.229 217 S CB -1.045 62.059 63.200 -0.159 0.000 0.917 217 S HN 0.438 nan 8.310 nan 0.000 0.496 218 P HA 0.426 nan 4.420 nan 0.000 0.285 218 P C 0.004 177.198 177.300 -0.177 0.000 1.259 218 P CA -0.523 62.504 63.100 -0.122 0.000 0.794 218 P CB 0.366 32.048 31.700 -0.031 0.000 0.940 219 F N 2.548 122.503 119.950 0.008 0.000 2.471 219 F HA 0.276 4.802 4.527 -0.001 0.000 0.353 219 F C 1.073 176.878 175.800 0.007 0.000 1.113 219 F CA 0.285 58.290 58.000 0.008 0.000 1.262 219 F CB 0.181 39.186 39.000 0.008 0.000 1.146 219 F HN 0.109 nan 8.300 nan 0.000 0.578 220 I N 4.127 124.809 120.570 0.187 0.000 2.465 220 I HA 0.352 4.521 4.170 -0.001 0.000 0.291 220 I C -1.046 175.125 176.117 0.091 0.000 1.014 220 I CA -0.868 60.496 61.300 0.107 0.000 1.093 220 I CB 1.921 39.963 38.000 0.070 0.000 1.267 220 I HN 0.364 nan 8.210 nan 0.000 0.431 221 L N 7.474 128.736 121.223 0.065 0.000 2.309 221 L HA 0.678 5.017 4.340 -0.001 0.000 0.282 221 L C -1.373 175.514 176.870 0.029 0.000 1.036 221 L CA -0.111 54.755 54.840 0.044 0.000 0.806 221 L CB 1.212 43.292 42.059 0.035 0.000 1.220 221 L HN 0.499 nan 8.230 nan 0.000 0.429 222 L N 5.752 126.986 121.223 0.019 0.000 2.404 222 L HA 0.892 5.231 4.340 -0.001 0.000 0.272 222 L C -0.819 176.053 176.870 0.002 0.000 0.980 222 L CA -0.426 54.417 54.840 0.005 0.000 0.836 222 L CB 1.797 43.855 42.059 -0.003 0.000 1.238 222 L HN 0.800 nan 8.230 nan 0.000 0.408 223 A N 1.645 124.465 122.820 -0.000 0.000 2.488 223 A HA 0.488 4.808 4.320 -0.001 0.000 0.295 223 A C -1.510 176.074 177.584 -0.001 0.000 1.045 223 A CA -0.556 51.481 52.037 0.000 0.000 0.703 223 A CB 1.650 20.653 19.000 0.006 0.000 1.271 223 A HN 0.660 nan 8.150 nan 0.000 0.400 224 D N 1.642 122.040 120.400 -0.003 0.000 2.468 224 D HA 0.514 5.153 4.640 -0.001 0.000 0.218 224 D C -0.109 176.195 176.300 0.006 0.000 1.155 224 D CA 0.422 54.421 54.000 -0.001 0.000 0.924 224 D CB -0.218 40.578 40.800 -0.006 0.000 1.029 224 D HN 0.672 nan 8.370 nan 0.000 0.515 225 K N 0.121 120.527 120.400 0.011 0.000 2.999 225 K HA 0.283 4.603 4.320 -0.001 0.000 0.295 225 K C -1.515 175.097 176.600 0.020 0.000 1.082 225 K CA -1.043 55.253 56.287 0.015 0.000 0.816 225 K CB 0.447 32.954 32.500 0.012 0.000 1.492 225 K HN -0.118 nan 8.250 nan 0.000 0.362 226 K N 1.540 121.953 120.400 0.022 0.000 2.267 226 K HA 0.349 4.668 4.320 -0.001 0.000 0.282 226 K C -0.436 176.180 176.600 0.026 0.000 1.078 226 K CA -0.406 55.897 56.287 0.026 0.000 0.903 226 K CB 0.422 32.938 32.500 0.027 0.000 1.111 226 K HN 0.441 nan 8.250 nan 0.000 0.475 227 I N 2.873 123.460 120.570 0.029 0.000 2.294 227 I HA -0.032 4.137 4.170 -0.001 0.000 0.295 227 I C 0.800 176.937 176.117 0.033 0.000 1.098 227 I CA 0.192 61.510 61.300 0.030 0.000 1.277 227 I CB 0.735 38.755 38.000 0.033 0.000 1.434 227 I HN 0.637 nan 8.210 nan 0.000 0.498 228 S N 3.547 119.263 115.700 0.027 0.000 2.748 228 S HA 0.112 4.582 4.470 -0.001 0.000 0.241 228 S C 0.666 175.280 174.600 0.024 0.000 1.064 228 S CA -0.052 58.164 58.200 0.027 0.000 0.892 228 S CB 0.094 63.307 63.200 0.023 0.000 0.810 228 S HN 0.630 nan 8.310 nan 0.000 0.555 229 N N 0.872 119.583 118.700 0.020 0.000 2.518 229 N HA 0.358 5.097 4.740 -0.001 0.000 0.283 229 N C 0.231 175.752 175.510 0.018 0.000 1.119 229 N CA -0.113 52.947 53.050 0.017 0.000 0.983 229 N CB 1.185 39.679 38.487 0.013 0.000 1.139 229 N HN 0.108 nan 8.380 nan 0.000 0.465 230 I N 2.059 122.639 120.570 0.017 0.000 3.578 230 I HA -0.005 4.164 4.170 -0.001 0.000 0.295 230 I C 1.943 178.067 176.117 0.012 0.000 1.280 230 I CA 0.299 61.609 61.300 0.018 0.000 1.347 230 I CB -0.000 38.011 38.000 0.019 0.000 1.051 230 I HN 0.531 nan 8.210 nan 0.000 0.460 231 R N 0.724 121.230 120.500 0.009 0.000 2.103 231 R HA -0.227 4.112 4.340 -0.001 0.000 0.242 231 R C 1.750 178.053 176.300 0.005 0.000 1.142 231 R CA 2.075 58.179 56.100 0.006 0.000 0.960 231 R CB -0.212 30.091 30.300 0.005 0.000 0.858 231 R HN 0.503 nan 8.270 nan 0.000 0.439 232 E N -0.586 119.618 120.200 0.007 0.000 2.285 232 E HA -0.072 4.277 4.350 -0.001 0.000 0.194 232 E C 1.760 178.364 176.600 0.006 0.000 0.997 232 E CA 0.571 56.974 56.400 0.006 0.000 0.845 232 E CB 0.154 29.859 29.700 0.008 0.000 0.782 232 E HN 0.238 nan 8.360 nan 0.000 0.491 233 M N 0.191 119.797 119.600 0.010 0.000 2.334 233 M HA 0.024 4.503 4.480 -0.001 0.000 0.266 233 M C 2.171 178.474 176.300 0.005 0.000 1.082 233 M CA 0.832 56.139 55.300 0.011 0.000 1.141 233 M CB -0.478 32.134 32.600 0.020 0.000 1.380 233 M HN 0.158 nan 8.290 nan 0.000 0.440 234 L N 0.391 121.616 121.223 0.004 0.000 1.990 234 L HA -0.218 4.121 4.340 -0.001 0.000 0.213 234 L C -0.419 176.446 176.870 -0.008 0.000 1.072 234 L CA 1.867 56.707 54.840 -0.000 0.000 0.755 234 L CB -2.281 39.778 42.059 -0.000 0.000 0.889 234 L HN 0.181 nan 8.230 nan 0.000 0.432 235 P HA -0.096 nan 4.420 nan 0.000 0.220 235 P C 1.778 179.062 177.300 -0.028 0.000 1.148 235 P CA 0.908 63.997 63.100 -0.018 0.000 0.803 235 P CB 0.076 31.767 31.700 -0.015 0.000 0.782 236 V N -0.564 119.335 119.914 -0.024 0.000 2.323 236 V HA -0.174 3.945 4.120 -0.001 0.000 0.244 236 V C 2.365 178.434 176.094 -0.041 0.000 1.041 236 V CA 1.506 63.785 62.300 -0.035 0.000 1.025 236 V CB -1.231 30.580 31.823 -0.020 0.000 0.656 236 V HN 0.049 nan 8.190 nan 0.000 0.451 237 L N -0.032 121.179 121.223 -0.020 0.000 2.201 237 L HA -0.144 4.196 4.340 -0.001 0.000 0.212 237 L C 2.526 179.383 176.870 -0.022 0.000 1.105 237 L CA 1.420 56.253 54.840 -0.013 0.000 0.775 237 L CB -0.470 41.592 42.059 0.005 0.000 0.913 237 L HN 0.375 nan 8.230 nan 0.000 0.440 238 E N 0.691 120.876 120.200 -0.026 0.000 2.150 238 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 238 E C 1.956 178.531 176.600 -0.043 0.000 0.985 238 E CA 1.268 57.652 56.400 -0.027 0.000 0.814 238 E CB 0.051 29.737 29.700 -0.024 0.000 0.752 238 E HN 0.396 nan 8.360 nan 0.000 0.466 239 A N -0.541 122.240 122.820 -0.066 0.000 2.308 239 A HA 0.183 4.502 4.320 -0.001 0.000 0.217 239 A C 1.868 179.365 177.584 -0.146 0.000 1.216 239 A CA 0.133 52.112 52.037 -0.097 0.000 0.864 239 A CB 0.347 19.281 19.000 -0.110 0.000 0.902 239 A HN 0.189 nan 8.150 nan 0.000 0.499 240 V N -0.778 119.065 119.914 -0.119 0.000 2.575 240 V HA -0.033 4.086 4.120 -0.001 0.000 0.242 240 V C 2.862 178.931 176.094 -0.041 0.000 1.045 240 V CA 1.568 63.792 62.300 -0.127 0.000 1.065 240 V CB -0.402 31.378 31.823 -0.072 0.000 0.717 240 V HN 0.515 nan 8.190 nan 0.000 0.467 241 A N -0.350 122.460 122.820 -0.018 0.000 2.067 241 A HA -0.135 4.184 4.320 -0.001 0.000 0.219 241 A C 1.537 179.119 177.584 -0.002 0.000 1.158 241 A CA 0.839 52.878 52.037 0.004 0.000 0.661 241 A CB -0.317 18.685 19.000 0.004 0.000 0.801 241 A HN 0.443 nan 8.150 nan 0.000 0.452 242 K N 0.515 120.901 120.400 -0.023 0.000 2.338 242 K HA 0.379 4.698 4.320 -0.001 0.000 0.290 242 K C 0.035 176.620 176.600 -0.025 0.000 1.069 242 K CA 0.480 56.752 56.287 -0.024 0.000 0.941 242 K CB -0.229 32.248 32.500 -0.038 0.000 1.023 242 K HN 0.917 nan 8.250 nan 0.000 0.477 243 A N 3.123 125.948 122.820 0.009 0.000 2.632 243 A HA -0.125 4.194 4.320 -0.001 0.000 0.294 243 A C 0.470 178.109 177.584 0.092 0.000 1.447 243 A CA 0.361 52.427 52.037 0.048 0.000 0.728 243 A CB -2.018 17.014 19.000 0.053 0.000 1.102 243 A HN 1.001 nan 8.150 nan 0.000 0.422 244 G N 0.988 109.832 108.800 0.074 0.000 2.178 244 G HA2 0.352 4.311 3.960 -0.001 0.000 0.276 244 G HA3 0.352 4.311 3.960 -0.001 0.000 0.276 244 G C 0.079 175.060 174.900 0.135 0.000 1.038 244 G CA 0.825 45.977 45.100 0.086 0.000 1.177 244 G HN 0.794 nan 8.290 nan 0.000 0.396 245 K N 3.373 123.902 120.400 0.215 0.000 2.464 245 K HA 0.318 4.637 4.320 -0.001 0.000 0.253 245 K C -2.565 174.184 176.600 0.249 0.000 0.933 245 K CA -1.821 54.614 56.287 0.247 0.000 0.801 245 K CB 2.891 35.614 32.500 0.372 0.000 1.271 245 K HN 0.155 nan 8.250 nan 0.000 0.430 246 P HA -0.018 nan 4.420 nan 0.000 0.270 246 P C -1.179 176.216 177.300 0.159 0.000 1.221 246 P CA -0.315 62.855 63.100 0.117 0.000 0.788 246 P CB 0.418 32.154 31.700 0.060 0.000 0.904 247 L N 1.607 122.896 121.223 0.111 0.000 2.438 247 L HA 0.523 4.862 4.340 -0.001 0.000 0.270 247 L C -1.643 175.252 176.870 0.042 0.000 0.972 247 L CA -0.778 54.127 54.840 0.109 0.000 0.831 247 L CB 1.764 43.883 42.059 0.099 0.000 1.273 247 L HN 0.096 nan 8.230 nan 0.000 0.405 248 L N 6.259 127.508 121.223 0.044 0.000 2.287 248 L HA 0.604 4.943 4.340 -0.001 0.000 0.287 248 L C -1.014 175.866 176.870 0.016 0.000 1.022 248 L CA -0.227 54.617 54.840 0.007 0.000 0.814 248 L CB 1.131 43.204 42.059 0.024 0.000 1.217 248 L HN 0.403 nan 8.230 nan 0.000 0.420 249 I N 7.241 127.803 120.570 -0.014 0.000 2.306 249 I HA 0.303 4.473 4.170 -0.001 0.000 0.288 249 I C -0.223 175.905 176.117 0.019 0.000 1.036 249 I CA -0.206 61.097 61.300 0.005 0.000 1.221 249 I CB 0.436 38.435 38.000 -0.001 0.000 1.385 249 I HN 0.511 nan 8.210 nan 0.000 0.472 250 I N 5.676 126.264 120.570 0.031 0.000 2.354 250 I HA 0.711 4.880 4.170 -0.001 0.000 0.286 250 I C 0.258 176.384 176.117 0.015 0.000 1.007 250 I CA -0.280 61.040 61.300 0.033 0.000 1.167 250 I CB 1.544 39.562 38.000 0.030 0.000 1.320 250 I HN 0.675 nan 8.210 nan 0.000 0.458 251 A N 4.450 127.283 122.820 0.020 0.000 2.583 251 A HA 0.421 4.740 4.320 -0.001 0.000 0.289 251 A C 0.702 178.299 177.584 0.021 0.000 1.151 251 A CA -0.561 51.486 52.037 0.017 0.000 0.695 251 A CB 1.443 20.457 19.000 0.023 0.000 1.290 251 A HN 0.736 nan 8.150 nan 0.000 0.419 252 E N -0.300 119.913 120.200 0.021 0.000 2.114 252 E HA -0.207 4.143 4.350 -0.001 0.000 0.199 252 E C 0.062 176.686 176.600 0.040 0.000 1.008 252 E CA 2.052 58.469 56.400 0.030 0.000 0.810 252 E CB 0.119 29.837 29.700 0.029 0.000 0.739 252 E HN 0.601 nan 8.360 nan 0.000 0.456 253 D N -2.478 117.946 120.400 0.040 0.000 2.769 253 D HA 0.153 4.792 4.640 -0.001 0.000 0.309 253 D C -1.800 174.530 176.300 0.050 0.000 1.315 253 D CA -0.402 53.627 54.000 0.048 0.000 0.780 253 D CB 1.680 42.509 40.800 0.048 0.000 1.312 253 D HN -0.121 nan 8.370 nan 0.000 0.437 254 V N 1.484 121.434 119.914 0.061 0.000 2.525 254 V HA 0.433 4.553 4.120 -0.001 0.000 0.299 254 V C -0.492 175.642 176.094 0.066 0.000 1.034 254 V CA -0.671 61.668 62.300 0.064 0.000 0.863 254 V CB 1.696 33.567 31.823 0.079 0.000 0.999 254 V HN 0.365 nan 8.190 nan 0.000 0.423 255 E N 2.488 122.720 120.200 0.054 0.000 2.195 255 E HA 0.626 4.975 4.350 -0.001 0.000 0.271 255 E C 1.012 177.639 176.600 0.044 0.000 0.923 255 E CA 0.069 56.498 56.400 0.048 0.000 0.790 255 E CB 2.158 31.881 29.700 0.038 0.000 1.155 255 E HN 0.900 nan 8.360 nan 0.000 0.402 256 G N 2.919 111.744 108.800 0.042 0.000 2.699 256 G HA2 -0.469 3.490 3.960 -0.001 0.000 0.351 256 G HA3 -0.469 3.490 3.960 -0.001 0.000 0.351 256 G C 1.177 176.096 174.900 0.031 0.000 1.191 256 G CA 0.873 45.993 45.100 0.033 0.000 0.953 256 G HN 0.656 nan 8.290 nan 0.000 0.557 257 E N 1.210 121.424 120.200 0.024 0.000 2.058 257 E HA -0.097 4.252 4.350 -0.001 0.000 0.194 257 E C 3.070 179.685 176.600 0.025 0.000 0.997 257 E CA 2.047 58.459 56.400 0.019 0.000 0.801 257 E CB -0.603 29.106 29.700 0.015 0.000 0.746 257 E HN 0.711 nan 8.360 nan 0.000 0.450 258 A N 0.856 123.696 122.820 0.033 0.000 1.930 258 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 258 A C 2.185 179.805 177.584 0.060 0.000 1.175 258 A CA 1.185 53.246 52.037 0.041 0.000 0.627 258 A CB -0.510 18.515 19.000 0.041 0.000 0.815 258 A HN 0.291 nan 8.150 nan 0.000 0.443 259 L N -0.299 120.965 121.223 0.068 0.000 2.023 259 L HA 0.074 4.413 4.340 -0.001 0.000 0.205 259 L C 2.589 179.505 176.870 0.077 0.000 1.073 259 L CA 2.180 57.080 54.840 0.100 0.000 0.745 259 L CB -0.750 41.372 42.059 0.105 0.000 0.900 259 L HN 0.287 nan 8.230 nan 0.000 0.435 260 A N -1.929 120.915 122.820 0.040 0.000 2.178 260 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 260 A C 2.058 179.630 177.584 -0.021 0.000 1.157 260 A CA 1.812 53.850 52.037 0.001 0.000 0.689 260 A CB -0.956 18.042 19.000 -0.004 0.000 0.787 260 A HN 0.568 nan 8.150 nan 0.000 0.465 261 T N 0.223 114.779 114.554 0.003 0.000 2.894 261 T HA 0.043 4.392 4.350 -0.001 0.000 0.258 261 T C 1.714 176.414 174.700 0.000 0.000 1.043 261 T CA 1.025 63.122 62.100 -0.004 0.000 1.141 261 T CB -0.303 68.571 68.868 0.010 0.000 0.873 261 T HN 0.413 nan 8.240 nan 0.000 0.449 262 L N 1.171 122.420 121.223 0.044 0.000 2.265 262 L HA -0.058 4.282 4.340 -0.001 0.000 0.215 262 L C 2.497 179.370 176.870 0.005 0.000 1.117 262 L CA 0.637 55.530 54.840 0.090 0.000 0.782 262 L CB -0.937 41.255 42.059 0.222 0.000 0.914 262 L HN 0.146 nan 8.230 nan 0.000 0.441 263 V N -0.555 119.296 119.914 -0.106 0.000 2.302 263 V HA -0.170 3.949 4.120 -0.001 0.000 0.243 263 V C 2.333 178.282 176.094 -0.242 0.000 1.036 263 V CA 1.339 63.468 62.300 -0.285 0.000 1.020 263 V CB -0.014 31.624 31.823 -0.308 0.000 0.657 263 V HN 0.212 nan 8.190 nan 0.000 0.453 264 V N 0.521 120.327 119.914 -0.180 0.000 2.970 264 V HA -0.139 3.981 4.120 -0.001 0.000 0.260 264 V C 2.123 178.162 176.094 -0.092 0.000 1.100 264 V CA 1.770 63.980 62.300 -0.149 0.000 1.122 264 V CB -1.103 30.646 31.823 -0.122 0.000 0.721 264 V HN 0.556 nan 8.190 nan 0.000 0.483 265 N N 1.120 119.783 118.700 -0.063 0.000 2.109 265 N HA -0.149 4.591 4.740 -0.001 0.000 0.188 265 N C 2.047 177.549 175.510 -0.014 0.000 1.034 265 N CA 2.049 55.086 53.050 -0.022 0.000 0.846 265 N CB -0.245 38.249 38.487 0.011 0.000 1.010 265 N HN 0.600 nan 8.380 nan 0.000 0.425 266 T N -1.401 113.143 114.554 -0.016 0.000 2.857 266 T HA -0.086 4.264 4.350 -0.001 0.000 0.266 266 T C 1.933 176.618 174.700 -0.025 0.000 1.048 266 T CA 0.801 62.907 62.100 0.009 0.000 1.139 266 T CB -0.275 68.621 68.868 0.048 0.000 0.874 266 T HN 0.141 nan 8.240 nan 0.000 0.455 267 M N 0.532 120.087 119.600 -0.074 0.000 2.254 267 M HA 0.074 4.553 4.480 -0.001 0.000 0.265 267 M C 2.485 178.753 176.300 -0.054 0.000 1.066 267 M CA 1.087 56.344 55.300 -0.072 0.000 1.123 267 M CB -0.186 32.345 32.600 -0.115 0.000 1.388 267 M HN 0.186 nan 8.290 nan 0.000 0.425 268 R N -0.639 119.830 120.500 -0.052 0.000 2.115 268 R HA -0.066 4.274 4.340 -0.001 0.000 0.230 268 R C 1.463 177.749 176.300 -0.024 0.000 1.111 268 R CA 1.261 57.338 56.100 -0.038 0.000 0.976 268 R CB -0.031 30.248 30.300 -0.036 0.000 0.870 268 R HN 0.663 nan 8.270 nan 0.000 0.445 269 G N -0.187 108.604 108.800 -0.014 0.000 2.296 269 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.188 269 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.188 269 G C 0.139 175.043 174.900 0.007 0.000 1.000 269 G CA -0.532 44.566 45.100 -0.003 0.000 0.672 269 G HN 0.123 nan 8.290 nan 0.000 0.483 270 I N 2.520 123.094 120.570 0.005 0.000 2.406 270 I HA 0.427 4.597 4.170 -0.001 0.000 0.293 270 I C 0.738 176.871 176.117 0.026 0.000 1.101 270 I CA -0.496 60.812 61.300 0.012 0.000 1.334 270 I CB 0.731 38.734 38.000 0.006 0.000 1.421 270 I HN 0.176 nan 8.210 nan 0.000 0.513 271 V N 4.920 124.855 119.914 0.035 0.000 3.493 271 V HA -0.221 3.898 4.120 -0.001 0.000 0.498 271 V C 0.269 176.407 176.094 0.073 0.000 0.682 271 V CA 0.088 62.419 62.300 0.052 0.000 2.046 271 V CB -0.975 30.877 31.823 0.048 0.000 2.479 271 V HN 0.820 nan 8.190 nan 0.000 0.507 272 K N 3.724 124.173 120.400 0.081 0.000 2.292 272 K HA 0.548 4.868 4.320 -0.001 0.000 0.290 272 K C -0.160 176.509 176.600 0.115 0.000 1.083 272 K CA -0.305 56.042 56.287 0.100 0.000 0.918 272 K CB 1.137 33.686 32.500 0.081 0.000 1.089 272 K HN 0.538 nan 8.250 nan 0.000 0.473 273 V N 1.160 121.176 119.914 0.171 0.000 3.019 273 V HA 0.828 4.947 4.120 -0.001 0.000 0.317 273 V C -0.515 175.579 176.094 0.000 0.000 1.094 273 V CA -1.145 61.237 62.300 0.137 0.000 1.000 273 V CB 1.849 33.798 31.823 0.210 0.000 1.060 273 V HN 0.788 nan 8.190 nan 0.000 0.443 274 A N 1.357 123.983 122.820 -0.325 0.000 2.491 274 A HA 0.865 5.184 4.320 -0.001 0.000 0.293 274 A C -0.714 176.512 177.584 -0.597 0.000 1.047 274 A CA 0.001 51.508 52.037 -0.883 0.000 0.735 274 A CB 1.339 20.078 19.000 -0.436 0.000 1.281 274 A HN 1.661 nan 8.150 nan 0.000 0.398 275 A N 1.573 123.947 122.820 -0.743 0.000 2.318 275 A HA 0.848 5.167 4.320 -0.001 0.000 0.324 275 A C -0.170 177.364 177.584 -0.084 0.000 1.170 275 A CA -0.112 51.787 52.037 -0.230 0.000 0.810 275 A CB 0.903 19.873 19.000 -0.050 0.000 1.198 275 A HN 2.238 nan 8.150 nan 0.000 0.484 276 V N 0.007 119.922 119.914 0.002 0.000 2.888 276 V HA 0.585 4.704 4.120 -0.001 0.000 0.309 276 V C -0.439 175.709 176.094 0.090 0.000 1.114 276 V CA -1.295 61.048 62.300 0.072 0.000 0.940 276 V CB 1.297 33.190 31.823 0.117 0.000 1.021 276 V HN 0.875 nan 8.190 nan 0.000 0.426 277 K N 2.305 122.765 120.400 0.100 0.000 2.336 277 K HA 0.591 4.910 4.320 -0.001 0.000 0.262 277 K C 0.604 177.252 176.600 0.080 0.000 0.992 277 K CA 0.402 56.739 56.287 0.084 0.000 0.927 277 K CB 0.615 33.164 32.500 0.081 0.000 0.956 277 K HN 1.143 nan 8.250 nan 0.000 0.495 278 A N 3.056 125.894 122.820 0.030 0.000 2.425 278 A HA 0.199 4.518 4.320 -0.001 0.000 0.242 278 A C -2.086 175.455 177.584 -0.073 0.000 1.077 278 A CA -1.107 50.904 52.037 -0.043 0.000 0.781 278 A CB -0.402 18.577 19.000 -0.035 0.000 1.020 278 A HN 0.467 nan 8.150 nan 0.000 0.494 279 P HA 0.393 nan 4.420 nan 0.000 0.276 279 P C 0.631 177.892 177.300 -0.067 0.000 1.243 279 P CA 1.503 64.448 63.100 -0.257 0.000 0.768 279 P CB 0.525 31.839 31.700 -0.644 0.000 0.856 280 G N 3.208 112.044 108.800 0.061 0.000 2.750 280 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.228 280 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.228 280 G C -0.964 174.081 174.900 0.241 0.000 1.367 280 G CA -0.090 45.102 45.100 0.153 0.000 0.871 280 G HN 0.712 nan 8.290 nan 0.000 0.560 281 F N -1.703 118.253 119.950 0.009 0.000 2.619 281 F HA 0.778 5.304 4.527 -0.001 0.000 0.308 281 F C 0.931 176.742 175.800 0.019 0.000 1.097 281 F CA 0.388 58.395 58.000 0.012 0.000 0.953 281 F CB 1.314 40.326 39.000 0.019 0.000 1.287 281 F HN 2.443 nan 8.300 nan 0.000 0.446 282 G N 2.665 111.428 108.800 -0.062 0.000 2.652 282 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.278 282 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.278 282 G C 0.312 175.138 174.900 -0.123 0.000 1.263 282 G CA 0.704 45.720 45.100 -0.140 0.000 0.966 282 G HN 0.744 nan 8.290 nan 0.000 0.544 283 D N 1.033 121.334 120.400 -0.165 0.000 2.144 283 D HA 0.054 4.693 4.640 -0.001 0.000 0.207 283 D C 2.571 178.812 176.300 -0.098 0.000 0.970 283 D CA 1.533 55.472 54.000 -0.101 0.000 0.853 283 D CB -0.369 40.386 40.800 -0.075 0.000 1.007 283 D HN 0.688 nan 8.370 nan 0.000 0.469 284 R N 1.113 121.535 120.500 -0.129 0.000 2.200 284 R HA -0.049 4.291 4.340 -0.001 0.000 0.234 284 R C 2.090 178.335 176.300 -0.090 0.000 1.127 284 R CA 0.917 56.953 56.100 -0.107 0.000 0.989 284 R CB -0.325 29.907 30.300 -0.114 0.000 0.869 284 R HN 0.078 nan 8.270 nan 0.000 0.459 285 R N 1.656 122.105 120.500 -0.086 0.000 2.094 285 R HA -0.152 4.188 4.340 -0.001 0.000 0.239 285 R C 1.591 177.854 176.300 -0.061 0.000 1.137 285 R CA 2.198 58.265 56.100 -0.055 0.000 0.943 285 R CB -0.076 30.213 30.300 -0.018 0.000 0.850 285 R HN 0.288 nan 8.270 nan 0.000 0.433 286 K N -0.814 119.554 120.400 -0.053 0.000 2.288 286 K HA -0.009 4.310 4.320 -0.001 0.000 0.201 286 K C 1.807 178.377 176.600 -0.051 0.000 1.048 286 K CA 0.983 57.243 56.287 -0.045 0.000 0.956 286 K CB 0.175 32.654 32.500 -0.035 0.000 0.746 286 K HN 0.246 nan 8.250 nan 0.000 0.461 287 A N 0.625 123.410 122.820 -0.059 0.000 1.924 287 A HA 0.044 4.363 4.320 -0.001 0.000 0.211 287 A C 1.956 179.499 177.584 -0.069 0.000 1.198 287 A CA 0.502 52.504 52.037 -0.058 0.000 0.657 287 A CB -0.169 18.796 19.000 -0.057 0.000 0.852 287 A HN 0.096 nan 8.150 nan 0.000 0.454 288 M N -0.168 119.380 119.600 -0.086 0.000 2.374 288 M HA -0.030 4.450 4.480 -0.001 0.000 0.264 288 M C 1.845 178.062 176.300 -0.140 0.000 1.067 288 M CA 0.874 56.107 55.300 -0.113 0.000 1.103 288 M CB -0.321 32.197 32.600 -0.137 0.000 1.402 288 M HN 0.392 nan 8.290 nan 0.000 0.444 289 L N -0.629 120.523 121.223 -0.119 0.000 2.005 289 L HA -0.235 4.104 4.340 -0.001 0.000 0.207 289 L C 2.464 179.291 176.870 -0.072 0.000 1.072 289 L CA 1.368 56.144 54.840 -0.106 0.000 0.744 289 L CB -0.502 41.511 42.059 -0.076 0.000 0.895 289 L HN 0.254 nan 8.230 nan 0.000 0.433 290 Q N -0.108 119.659 119.800 -0.056 0.000 2.369 290 Q HA -0.181 4.158 4.340 -0.001 0.000 0.206 290 Q C 1.466 177.444 176.000 -0.037 0.000 0.963 290 Q CA 1.212 56.992 55.803 -0.039 0.000 0.894 290 Q CB 0.048 28.767 28.738 -0.032 0.000 0.965 290 Q HN 0.367 nan 8.270 nan 0.000 0.475 291 D N -0.628 119.741 120.400 -0.050 0.000 2.117 291 D HA -0.090 4.550 4.640 -0.001 0.000 0.198 291 D C 1.467 177.746 176.300 -0.035 0.000 0.982 291 D CA 0.992 54.966 54.000 -0.043 0.000 0.828 291 D CB 0.027 40.796 40.800 -0.052 0.000 0.967 291 D HN 0.301 nan 8.370 nan 0.000 0.464 292 I N 0.754 121.290 120.570 -0.057 0.000 2.202 292 I HA -0.257 3.913 4.170 -0.001 0.000 0.242 292 I C 2.389 178.499 176.117 -0.011 0.000 1.091 292 I CA 0.888 62.168 61.300 -0.033 0.000 1.368 292 I CB -0.267 37.690 38.000 -0.073 0.000 1.058 292 I HN -0.045 nan 8.210 nan 0.000 0.410 293 A N 0.783 123.591 122.820 -0.020 0.000 1.859 293 A HA -0.277 4.042 4.320 -0.001 0.000 0.218 293 A C 2.302 179.885 177.584 -0.000 0.000 1.209 293 A CA 2.923 54.956 52.037 -0.007 0.000 0.639 293 A CB -1.359 17.634 19.000 -0.011 0.000 0.835 293 A HN 0.441 nan 8.150 nan 0.000 0.450 294 T N 0.159 114.710 114.554 -0.005 0.000 3.072 294 T HA 0.045 4.394 4.350 -0.001 0.000 0.266 294 T C 1.605 176.306 174.700 0.002 0.000 1.127 294 T CA 0.740 62.839 62.100 -0.002 0.000 1.107 294 T CB -0.065 68.799 68.868 -0.005 0.000 0.910 294 T HN 0.300 nan 8.240 nan 0.000 0.513 295 L N 2.166 123.392 121.223 0.004 0.000 2.240 295 L HA -0.010 4.330 4.340 -0.001 0.000 0.211 295 L C 2.293 179.171 176.870 0.014 0.000 1.106 295 L CA 1.847 56.693 54.840 0.011 0.000 0.793 295 L CB -0.911 41.160 42.059 0.020 0.000 0.927 295 L HN 0.434 nan 8.230 nan 0.000 0.446 296 T N -4.370 110.193 114.554 0.015 0.000 3.038 296 T HA 0.244 4.593 4.350 -0.001 0.000 0.244 296 T C 1.217 175.926 174.700 0.016 0.000 1.016 296 T CA 0.550 62.660 62.100 0.017 0.000 1.098 296 T CB 0.259 69.143 68.868 0.026 0.000 0.954 296 T HN 0.399 nan 8.240 nan 0.000 0.469 297 G N 0.752 109.562 108.800 0.017 0.000 2.467 297 G HA2 0.242 4.202 3.960 -0.001 0.000 0.242 297 G HA3 0.242 4.202 3.960 -0.001 0.000 0.242 297 G C 0.266 175.183 174.900 0.030 0.000 1.127 297 G CA -0.115 44.997 45.100 0.020 0.000 0.924 297 G HN 0.945 nan 8.290 nan 0.000 0.499 298 G N -1.156 107.659 108.800 0.026 0.000 3.341 298 G HA2 0.939 4.899 3.960 -0.001 0.000 0.177 298 G HA3 0.939 4.899 3.960 -0.001 0.000 0.177 298 G C -0.242 174.669 174.900 0.019 0.000 1.236 298 G CA 0.484 45.602 45.100 0.031 0.000 0.888 298 G HN 1.141 nan 8.290 nan 0.000 0.644 299 T N -1.107 113.456 114.554 0.014 0.000 2.957 299 T HA 0.365 4.714 4.350 -0.001 0.000 0.336 299 T C -1.384 173.316 174.700 0.001 0.000 1.462 299 T CA -0.375 61.728 62.100 0.006 0.000 1.073 299 T CB 1.907 70.778 68.868 0.006 0.000 1.319 299 T HN 0.602 nan 8.240 nan 0.000 0.485 300 V N 3.668 123.579 119.914 -0.005 0.000 2.455 300 V HA 0.440 4.559 4.120 -0.001 0.000 0.273 300 V C -0.175 175.916 176.094 -0.005 0.000 1.045 300 V CA -0.350 61.945 62.300 -0.009 0.000 0.976 300 V CB -0.147 31.666 31.823 -0.016 0.000 0.993 300 V HN 0.783 nan 8.190 nan 0.000 0.475 301 I N 7.278 127.846 120.570 -0.003 0.000 2.682 301 I HA 0.228 4.398 4.170 -0.001 0.000 0.302 301 I C 0.669 176.785 176.117 -0.001 0.000 1.180 301 I CA -0.145 61.154 61.300 -0.001 0.000 1.146 301 I CB 0.282 38.283 38.000 0.001 0.000 1.756 301 I HN 0.666 nan 8.210 nan 0.000 0.559 302 S N 1.040 116.739 115.700 -0.003 0.000 2.548 302 S HA 0.227 4.696 4.470 -0.001 0.000 0.277 302 S C 0.389 174.988 174.600 -0.001 0.000 1.315 302 S CA -0.709 57.489 58.200 -0.002 0.000 1.050 302 S CB 0.910 64.107 63.200 -0.005 0.000 0.918 302 S HN 0.437 nan 8.310 nan 0.000 0.497 303 E N 1.676 121.877 120.200 0.001 0.000 2.676 303 E HA 0.055 4.404 4.350 -0.001 0.000 0.318 303 E C 0.439 177.039 176.600 0.001 0.000 1.514 303 E CA 0.044 56.445 56.400 0.002 0.000 1.667 303 E CB -0.116 29.587 29.700 0.004 0.000 1.336 303 E HN 0.738 nan 8.360 nan 0.000 0.492 304 E N 0.056 120.256 120.200 -0.000 0.000 2.538 304 E HA 0.062 4.411 4.350 -0.001 0.000 0.188 304 E C 1.682 178.282 176.600 -0.001 0.000 1.014 304 E CA -0.030 56.369 56.400 -0.001 0.000 1.140 304 E CB 0.237 29.936 29.700 -0.002 0.000 1.262 304 E HN 0.231 nan 8.360 nan 0.000 0.488 305 I N 0.377 120.946 120.570 -0.002 0.000 2.493 305 I HA 0.008 4.177 4.170 -0.001 0.000 0.254 305 I C 1.072 177.188 176.117 -0.001 0.000 1.160 305 I CA 1.095 62.394 61.300 -0.002 0.000 1.445 305 I CB 0.089 38.088 38.000 -0.002 0.000 1.086 305 I HN 0.315 nan 8.210 nan 0.000 0.433 306 G N 1.266 110.065 108.800 -0.001 0.000 2.398 306 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.221 306 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.221 306 G C -0.343 174.557 174.900 -0.001 0.000 1.112 306 G CA -0.743 44.356 45.100 -0.001 0.000 0.823 306 G HN 0.078 nan 8.290 nan 0.000 0.487 307 M N 0.507 120.106 119.600 -0.001 0.000 2.321 307 M HA 0.597 5.077 4.480 -0.001 0.000 0.315 307 M C -0.197 176.103 176.300 0.000 0.000 1.052 307 M CA -0.502 54.798 55.300 -0.001 0.000 0.936 307 M CB 2.251 34.850 32.600 -0.001 0.000 1.639 307 M HN 0.226 nan 8.290 nan 0.000 0.433 308 E N 1.750 121.950 120.200 -0.000 0.000 2.320 308 E HA 0.433 4.783 4.350 -0.001 0.000 0.264 308 E C -0.033 176.567 176.600 0.000 0.000 0.923 308 E CA -0.747 55.653 56.400 0.000 0.000 0.796 308 E CB 2.412 32.112 29.700 0.000 0.000 1.262 308 E HN 0.648 nan 8.360 nan 0.000 0.428 309 L N 1.075 122.299 121.223 0.001 0.000 2.492 309 L HA -0.022 4.317 4.340 -0.001 0.000 0.223 309 L C 1.409 178.277 176.870 -0.002 0.000 1.132 309 L CA 0.681 55.522 54.840 0.001 0.000 0.850 309 L CB -0.035 42.027 42.059 0.005 0.000 0.966 309 L HN 0.535 nan 8.230 nan 0.000 0.454 310 E N 0.323 120.521 120.200 -0.003 0.000 2.076 310 E HA -0.058 4.291 4.350 -0.001 0.000 0.190 310 E C 0.642 177.237 176.600 -0.008 0.000 0.979 310 E CA 0.822 57.219 56.400 -0.005 0.000 0.807 310 E CB 0.187 29.885 29.700 -0.003 0.000 0.761 310 E HN 0.163 nan 8.360 nan 0.000 0.454 311 K N 0.816 121.211 120.400 -0.007 0.000 2.535 311 K HA 0.477 4.797 4.320 -0.001 0.000 0.242 311 K C -0.948 175.647 176.600 -0.010 0.000 1.210 311 K CA -0.177 56.105 56.287 -0.009 0.000 1.178 311 K CB 1.020 33.516 32.500 -0.007 0.000 1.778 311 K HN -0.041 nan 8.250 nan 0.000 0.372 312 A N 1.580 124.392 122.820 -0.013 0.000 2.522 312 A HA 0.312 4.632 4.320 -0.001 0.000 0.285 312 A C 0.204 177.772 177.584 -0.026 0.000 1.198 312 A CA -0.670 51.358 52.037 -0.014 0.000 0.742 312 A CB 0.474 19.469 19.000 -0.009 0.000 1.176 312 A HN 0.365 nan 8.150 nan 0.000 0.444 313 T N 0.045 114.581 114.554 -0.030 0.000 2.867 313 T HA 0.479 4.828 4.350 -0.001 0.000 0.286 313 T C 1.521 176.183 174.700 -0.064 0.000 1.022 313 T CA -0.262 61.808 62.100 -0.050 0.000 0.933 313 T CB 0.059 68.903 68.868 -0.041 0.000 1.280 313 T HN 0.447 nan 8.240 nan 0.000 0.566 314 L N -0.483 120.678 121.223 -0.105 0.000 2.127 314 L HA -0.043 4.296 4.340 -0.001 0.000 0.211 314 L C 2.855 179.715 176.870 -0.016 0.000 1.089 314 L CA 1.432 56.193 54.840 -0.132 0.000 0.757 314 L CB -0.999 40.943 42.059 -0.195 0.000 0.899 314 L HN 0.658 nan 8.230 nan 0.000 0.434 315 E N 0.653 120.847 120.200 -0.010 0.000 2.110 315 E HA -0.228 4.121 4.350 -0.001 0.000 0.193 315 E C 1.215 177.827 176.600 0.020 0.000 0.988 315 E CA 1.280 57.688 56.400 0.014 0.000 0.804 315 E CB -0.029 29.673 29.700 0.004 0.000 0.745 315 E HN 0.567 nan 8.360 nan 0.000 0.458 316 D N 0.074 120.480 120.400 0.010 0.000 2.328 316 D HA 0.015 4.654 4.640 -0.001 0.000 0.226 316 D C -0.127 176.189 176.300 0.027 0.000 1.066 316 D CA 0.057 54.066 54.000 0.014 0.000 0.861 316 D CB 0.338 41.140 40.800 0.004 0.000 0.912 316 D HN 0.044 nan 8.370 nan 0.000 0.521 317 L N -0.018 121.233 121.223 0.047 0.000 2.334 317 L HA 0.475 4.814 4.340 -0.001 0.000 0.272 317 L C 0.776 177.712 176.870 0.110 0.000 1.020 317 L CA -0.764 54.124 54.840 0.081 0.000 0.812 317 L CB 1.770 43.890 42.059 0.102 0.000 1.264 317 L HN -0.184 nan 8.230 nan 0.000 0.439 318 G N 1.273 110.134 108.800 0.100 0.000 2.356 318 G HA2 0.553 4.512 3.960 -0.001 0.000 0.298 318 G HA3 0.553 4.512 3.960 -0.001 0.000 0.298 318 G C -0.870 174.076 174.900 0.078 0.000 1.145 318 G CA -0.319 44.827 45.100 0.077 0.000 0.850 318 G HN 0.548 nan 8.290 nan 0.000 0.487 319 Q N -0.136 119.684 119.800 0.033 0.000 2.333 319 Q HA 0.646 4.985 4.340 -0.001 0.000 0.267 319 Q C -0.480 175.486 176.000 -0.056 0.000 1.012 319 Q CA -0.654 55.120 55.803 -0.048 0.000 0.824 319 Q CB 2.469 31.161 28.738 -0.077 0.000 1.290 319 Q HN 0.719 nan 8.270 nan 0.000 0.449 320 A N 1.718 124.486 122.820 -0.087 0.000 2.539 320 A HA 0.474 4.793 4.320 -0.001 0.000 0.296 320 A C -0.706 176.826 177.584 -0.087 0.000 1.073 320 A CA -0.772 51.228 52.037 -0.062 0.000 0.700 320 A CB 1.356 20.340 19.000 -0.028 0.000 1.296 320 A HN 0.688 nan 8.150 nan 0.000 0.405 321 K N 0.554 120.915 120.400 -0.065 0.000 2.684 321 K HA 0.323 4.642 4.320 -0.001 0.000 0.215 321 K C -0.279 176.290 176.600 -0.051 0.000 1.073 321 K CA 0.111 56.358 56.287 -0.068 0.000 1.197 321 K CB 0.086 32.552 32.500 -0.056 0.000 0.955 321 K HN 0.574 nan 8.250 nan 0.000 0.473 322 R N 0.282 120.754 120.500 -0.047 0.000 7.734 322 R HA -0.056 4.283 4.340 -0.001 0.000 0.253 322 R C -1.743 174.541 176.300 -0.027 0.000 0.827 322 R CA -0.296 55.783 56.100 -0.035 0.000 1.919 322 R CB -0.106 30.177 30.300 -0.027 0.000 1.153 322 R HN 0.072 nan 8.270 nan 0.000 0.927 323 V N 1.309 121.209 119.914 -0.024 0.000 2.680 323 V HA 0.936 5.055 4.120 -0.001 0.000 0.309 323 V C -0.698 175.383 176.094 -0.022 0.000 1.052 323 V CA -0.585 61.701 62.300 -0.023 0.000 0.908 323 V CB 2.209 34.022 31.823 -0.016 0.000 1.001 323 V HN 0.349 nan 8.190 nan 0.000 0.431 324 V N 5.159 125.052 119.914 -0.034 0.000 2.604 324 V HA 0.612 4.731 4.120 -0.001 0.000 0.305 324 V C -0.387 175.680 176.094 -0.045 0.000 1.043 324 V CA -0.401 61.885 62.300 -0.024 0.000 0.888 324 V CB 1.782 33.594 31.823 -0.019 0.000 0.995 324 V HN 0.868 nan 8.190 nan 0.000 0.429 325 I N 3.930 124.498 120.570 -0.003 0.000 2.476 325 I HA 0.382 4.551 4.170 -0.001 0.000 0.281 325 I C 0.131 176.297 176.117 0.082 0.000 1.040 325 I CA -0.237 61.065 61.300 0.003 0.000 1.094 325 I CB 1.414 39.434 38.000 0.034 0.000 1.219 325 I HN 0.550 nan 8.210 nan 0.000 0.450 326 N N 4.415 123.105 118.700 -0.016 0.000 2.374 326 N HA 0.183 4.922 4.740 -0.001 0.000 0.284 326 N C 1.113 176.443 175.510 -0.299 0.000 1.280 326 N CA -0.164 52.866 53.050 -0.033 0.000 0.963 326 N CB 1.060 39.516 38.487 -0.053 0.000 1.141 326 N HN 0.546 nan 8.380 nan 0.000 0.565 327 K N -0.131 120.022 120.400 -0.412 0.000 2.097 327 K HA -0.162 4.157 4.320 -0.001 0.000 0.206 327 K C -0.272 176.034 176.600 -0.490 0.000 1.049 327 K CA 1.913 57.727 56.287 -0.789 0.000 0.933 327 K CB -0.064 32.212 32.500 -0.374 0.000 0.717 327 K HN 0.640 nan 8.250 nan 0.000 0.442 328 D N -1.171 119.071 120.400 -0.264 0.000 2.785 328 D HA 0.093 4.732 4.640 -0.001 0.000 0.324 328 D C -1.155 175.068 176.300 -0.128 0.000 1.523 328 D CA -0.490 53.413 54.000 -0.163 0.000 0.789 328 D CB 0.916 41.655 40.800 -0.102 0.000 1.171 328 D HN -0.178 nan 8.370 nan 0.000 0.447 329 T N -0.248 114.208 114.554 -0.162 0.000 3.143 329 T HA 0.514 4.863 4.350 -0.001 0.000 0.312 329 T C -0.841 173.712 174.700 -0.245 0.000 0.986 329 T CA -0.550 61.446 62.100 -0.175 0.000 1.024 329 T CB 1.858 70.656 68.868 -0.117 0.000 1.030 329 T HN -0.060 nan 8.240 nan 0.000 0.448 330 T N 2.320 116.609 114.554 -0.442 0.000 2.841 330 T HA 0.757 5.106 4.350 -0.001 0.000 0.283 330 T C -0.392 173.922 174.700 -0.643 0.000 1.000 330 T CA -0.665 61.091 62.100 -0.573 0.000 0.977 330 T CB 1.815 70.195 68.868 -0.813 0.000 0.979 330 T HN 0.655 nan 8.240 nan 0.000 0.446 331 T N 2.746 117.093 114.554 -0.346 0.000 3.011 331 T HA 0.599 4.948 4.350 -0.001 0.000 0.303 331 T C -1.072 173.574 174.700 -0.090 0.000 0.997 331 T CA -0.656 61.321 62.100 -0.204 0.000 1.007 331 T CB 0.238 69.027 68.868 -0.131 0.000 1.017 331 T HN 0.478 nan 8.240 nan 0.000 0.443 332 I N 6.307 126.867 120.570 -0.016 0.000 2.297 332 I HA 0.415 4.584 4.170 -0.001 0.000 0.291 332 I C -0.021 176.102 176.117 0.010 0.000 1.033 332 I CA -0.679 60.635 61.300 0.022 0.000 1.253 332 I CB 0.998 39.049 38.000 0.085 0.000 1.396 332 I HN 0.554 nan 8.210 nan 0.000 0.476 333 I N 5.648 126.214 120.570 -0.007 0.000 2.342 333 I HA 0.194 4.363 4.170 -0.001 0.000 0.291 333 I C -0.063 176.047 176.117 -0.011 0.000 1.010 333 I CA -0.384 60.909 61.300 -0.010 0.000 1.308 333 I CB 0.759 38.749 38.000 -0.017 0.000 1.400 333 I HN 0.595 nan 8.210 nan 0.000 0.488 334 D N 4.720 125.116 120.400 -0.007 0.000 3.763 334 D HA -0.117 4.523 4.640 -0.001 0.000 0.232 334 D C 0.096 176.388 176.300 -0.013 0.000 1.108 334 D CA 1.076 55.069 54.000 -0.010 0.000 1.117 334 D CB -0.119 40.671 40.800 -0.016 0.000 0.846 334 D HN 0.816 nan 8.370 nan 0.000 0.405 335 G N 0.869 109.665 108.800 -0.006 0.000 2.557 335 G HA2 0.623 4.582 3.960 -0.001 0.000 0.302 335 G HA3 0.623 4.582 3.960 -0.001 0.000 0.302 335 G C 0.897 175.792 174.900 -0.008 0.000 1.311 335 G CA -0.212 44.884 45.100 -0.007 0.000 1.030 335 G HN 0.372 nan 8.290 nan 0.000 0.509 336 V N 0.337 120.247 119.914 -0.007 0.000 6.227 336 V HA 0.722 4.841 4.120 -0.001 0.000 0.208 336 V C 1.566 177.661 176.094 0.002 0.000 1.547 336 V CA 0.681 62.979 62.300 -0.003 0.000 0.816 336 V CB -1.119 30.704 31.823 -0.000 0.000 1.454 336 V HN 1.983 nan 8.190 nan 0.000 0.355 337 G N 0.303 109.107 108.800 0.005 0.000 2.757 337 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.686 337 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.686 337 G C -0.601 174.300 174.900 0.003 0.000 1.452 337 G CA -0.579 44.525 45.100 0.005 0.000 0.922 337 G HN 0.538 nan 8.290 nan 0.000 0.588 338 E N 1.248 121.450 120.200 0.003 0.000 2.324 338 E HA 0.115 4.464 4.350 -0.001 0.000 0.271 338 E C 1.590 178.190 176.600 -0.000 0.000 1.028 338 E CA -0.360 56.041 56.400 0.001 0.000 0.890 338 E CB 0.811 30.512 29.700 0.001 0.000 1.004 338 E HN 0.548 nan 8.360 nan 0.000 0.431 339 E N 2.467 122.666 120.200 -0.001 0.000 2.110 339 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 339 E C 1.588 178.187 176.600 -0.002 0.000 0.988 339 E CA 1.194 57.593 56.400 -0.002 0.000 0.804 339 E CB -0.170 29.529 29.700 -0.002 0.000 0.745 339 E HN 0.531 nan 8.360 nan 0.000 0.458 340 A N 1.263 124.082 122.820 -0.002 0.000 1.968 340 A HA 0.097 4.417 4.320 -0.001 0.000 0.217 340 A C 2.282 179.864 177.584 -0.003 0.000 1.169 340 A CA 1.508 53.543 52.037 -0.003 0.000 0.638 340 A CB -0.237 18.761 19.000 -0.002 0.000 0.812 340 A HN 0.243 nan 8.150 nan 0.000 0.446 341 A N -0.849 121.969 122.820 -0.002 0.000 2.218 341 A HA 0.325 4.644 4.320 -0.001 0.000 0.209 341 A C 1.844 179.425 177.584 -0.004 0.000 1.168 341 A CA 0.461 52.496 52.037 -0.003 0.000 0.804 341 A CB -0.368 18.631 19.000 -0.002 0.000 0.834 341 A HN 0.457 nan 8.150 nan 0.000 0.482 342 I N -1.079 119.489 120.570 -0.003 0.000 2.235 342 I HA -0.183 3.986 4.170 -0.001 0.000 0.241 342 I C 2.590 178.703 176.117 -0.005 0.000 1.085 342 I CA 1.478 62.776 61.300 -0.004 0.000 1.378 342 I CB -0.167 37.831 38.000 -0.002 0.000 1.076 342 I HN 0.371 nan 8.210 nan 0.000 0.415 343 Q N 1.488 121.285 119.800 -0.005 0.000 2.226 343 Q HA -0.111 4.228 4.340 -0.001 0.000 0.204 343 Q C 1.963 177.958 176.000 -0.007 0.000 0.975 343 Q CA 1.848 57.647 55.803 -0.006 0.000 0.866 343 Q CB -0.537 28.197 28.738 -0.005 0.000 0.915 343 Q HN 0.467 nan 8.270 nan 0.000 0.440 344 G N -0.226 108.570 108.800 -0.006 0.000 2.443 344 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.219 344 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.219 344 G C 1.571 176.465 174.900 -0.009 0.000 1.131 344 G CA 0.730 45.825 45.100 -0.007 0.000 0.775 344 G HN 0.347 nan 8.290 nan 0.000 0.547 345 R N -0.209 120.285 120.500 -0.010 0.000 2.156 345 R HA 0.199 4.539 4.340 -0.001 0.000 0.207 345 R C 2.394 178.685 176.300 -0.015 0.000 1.040 345 R CA 0.725 56.817 56.100 -0.013 0.000 1.013 345 R CB -0.536 29.756 30.300 -0.012 0.000 0.931 345 R HN 0.119 nan 8.270 nan 0.000 0.465 346 V N 0.921 120.827 119.914 -0.012 0.000 2.343 346 V HA -0.153 3.966 4.120 -0.001 0.000 0.247 346 V C 2.138 178.223 176.094 -0.015 0.000 1.051 346 V CA 2.033 64.325 62.300 -0.013 0.000 1.036 346 V CB -0.676 31.140 31.823 -0.010 0.000 0.654 346 V HN 0.520 nan 8.190 nan 0.000 0.451 347 A N -1.426 121.387 122.820 -0.013 0.000 2.206 347 A HA -0.126 4.194 4.320 -0.001 0.000 0.211 347 A C 2.126 179.702 177.584 -0.014 0.000 1.158 347 A CA 0.995 53.024 52.037 -0.012 0.000 0.761 347 A CB -0.367 18.627 19.000 -0.010 0.000 0.801 347 A HN 0.578 nan 8.150 nan 0.000 0.473 348 Q N -0.655 119.136 119.800 -0.015 0.000 2.331 348 Q HA 0.073 4.412 4.340 -0.001 0.000 0.203 348 Q C 1.281 177.269 176.000 -0.020 0.000 0.944 348 Q CA 0.907 56.700 55.803 -0.016 0.000 0.892 348 Q CB 0.008 28.736 28.738 -0.016 0.000 0.983 348 Q HN 0.764 nan 8.270 nan 0.000 0.482 349 I N -1.287 119.269 120.570 -0.023 0.000 3.939 349 I HA 0.027 4.196 4.170 -0.001 0.000 0.313 349 I C 2.124 178.224 176.117 -0.029 0.000 1.274 349 I CA -0.048 61.235 61.300 -0.029 0.000 1.301 349 I CB 0.086 38.065 38.000 -0.034 0.000 1.105 349 I HN -0.036 nan 8.210 nan 0.000 0.427 350 R N 0.935 121.421 120.500 -0.023 0.000 2.235 350 R HA -0.082 4.257 4.340 -0.001 0.000 0.213 350 R C 2.193 178.482 176.300 -0.019 0.000 1.059 350 R CA 0.853 56.940 56.100 -0.021 0.000 0.997 350 R CB 0.107 30.396 30.300 -0.017 0.000 0.884 350 R HN 0.289 nan 8.270 nan 0.000 0.462 351 Q N -0.050 119.739 119.800 -0.018 0.000 2.269 351 Q HA -0.091 4.248 4.340 -0.001 0.000 0.201 351 Q C 1.614 177.603 176.000 -0.018 0.000 0.946 351 Q CA 0.900 56.693 55.803 -0.016 0.000 0.877 351 Q CB 0.398 29.127 28.738 -0.014 0.000 0.963 351 Q HN 0.448 nan 8.270 nan 0.000 0.472 352 Q N 0.216 120.003 119.800 -0.023 0.000 2.079 352 Q HA -0.104 4.235 4.340 -0.001 0.000 0.200 352 Q C 2.179 178.163 176.000 -0.026 0.000 0.974 352 Q CA 0.987 56.774 55.803 -0.026 0.000 0.840 352 Q CB -0.358 28.360 28.738 -0.034 0.000 0.898 352 Q HN 0.466 nan 8.270 nan 0.000 0.430 353 I N 1.503 122.056 120.570 -0.029 0.000 2.423 353 I HA -0.241 3.929 4.170 -0.001 0.000 0.254 353 I C 2.028 178.134 176.117 -0.019 0.000 1.151 353 I CA 1.022 62.305 61.300 -0.028 0.000 1.421 353 I CB -0.482 37.500 38.000 -0.029 0.000 1.079 353 I HN 0.070 nan 8.210 nan 0.000 0.431 354 E N 1.409 121.599 120.200 -0.016 0.000 2.072 354 E HA -0.181 4.169 4.350 -0.001 0.000 0.191 354 E C 1.796 178.391 176.600 -0.009 0.000 0.985 354 E CA 1.210 57.603 56.400 -0.011 0.000 0.801 354 E CB -0.314 29.380 29.700 -0.010 0.000 0.750 354 E HN 0.624 nan 8.360 nan 0.000 0.452 355 E N 0.632 120.826 120.200 -0.010 0.000 2.478 355 E HA 0.152 4.502 4.350 -0.001 0.000 0.194 355 E C 0.233 176.830 176.600 -0.005 0.000 1.045 355 E CA 0.010 56.406 56.400 -0.007 0.000 0.868 355 E CB 0.292 29.987 29.700 -0.008 0.000 0.885 355 E HN 0.065 nan 8.360 nan 0.000 0.505 356 A N 1.850 124.665 122.820 -0.008 0.000 2.526 356 A HA -0.013 4.307 4.320 -0.001 0.000 0.287 356 A C 1.477 179.063 177.584 0.004 0.000 1.232 356 A CA 0.269 52.303 52.037 -0.006 0.000 0.900 356 A CB -0.567 18.423 19.000 -0.017 0.000 1.077 356 A HN 0.258 nan 8.150 nan 0.000 0.535 357 T N -0.073 114.488 114.554 0.011 0.000 2.995 357 T HA 0.044 4.393 4.350 -0.001 0.000 0.269 357 T C 0.900 175.614 174.700 0.024 0.000 1.091 357 T CA 1.177 63.286 62.100 0.014 0.000 1.128 357 T CB -0.129 68.747 68.868 0.013 0.000 0.891 357 T HN 0.422 nan 8.240 nan 0.000 0.492 358 S N 1.151 116.873 115.700 0.038 0.000 2.638 358 S HA 0.402 4.871 4.470 -0.001 0.000 0.298 358 S C 0.366 175.002 174.600 0.060 0.000 1.111 358 S CA -0.715 57.521 58.200 0.061 0.000 1.027 358 S CB 1.843 65.104 63.200 0.102 0.000 1.064 358 S HN 0.300 nan 8.310 nan 0.000 0.525 359 D N -0.444 119.999 120.400 0.072 0.000 2.348 359 D HA 0.004 4.643 4.640 -0.001 0.000 0.211 359 D C 1.327 177.676 176.300 0.081 0.000 0.998 359 D CA 0.477 54.511 54.000 0.057 0.000 0.873 359 D CB 0.050 40.880 40.800 0.049 0.000 0.925 359 D HN 0.643 nan 8.370 nan 0.000 0.524 360 Y N 0.755 121.052 120.300 -0.005 0.000 2.220 360 Y HA -0.061 4.489 4.550 -0.001 0.000 0.291 360 Y C 1.417 177.310 175.900 -0.012 0.000 1.129 360 Y CA 1.527 59.624 58.100 -0.006 0.000 1.161 360 Y CB -0.296 38.160 38.460 -0.007 0.000 0.997 360 Y HN -0.157 nan 8.280 nan 0.000 0.522 361 D N 0.506 120.774 120.400 -0.220 0.000 2.106 361 D HA -0.229 4.411 4.640 -0.001 0.000 0.191 361 D C 2.206 178.365 176.300 -0.236 0.000 0.997 361 D CA 1.863 55.681 54.000 -0.303 0.000 0.834 361 D CB -0.447 40.302 40.800 -0.085 0.000 0.956 361 D HN 0.311 nan 8.370 nan 0.000 0.448 362 R N 0.621 121.048 120.500 -0.122 0.000 2.133 362 R HA -0.199 4.141 4.340 -0.001 0.000 0.247 362 R C 1.826 178.065 176.300 -0.103 0.000 1.151 362 R CA 1.394 57.443 56.100 -0.085 0.000 0.971 362 R CB 0.025 30.302 30.300 -0.039 0.000 0.866 362 R HN 0.266 nan 8.270 nan 0.000 0.447 363 E N 0.188 120.308 120.200 -0.132 0.000 2.047 363 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 363 E C 1.552 178.058 176.600 -0.156 0.000 0.987 363 E CA 1.026 57.357 56.400 -0.115 0.000 0.799 363 E CB 0.060 29.713 29.700 -0.077 0.000 0.752 363 E HN 0.272 nan 8.360 nan 0.000 0.449 364 K N 0.425 120.652 120.400 -0.288 0.000 2.404 364 K HA 0.148 4.467 4.320 -0.001 0.000 0.194 364 K C 1.931 178.418 176.600 -0.187 0.000 1.023 364 K CA 0.097 56.230 56.287 -0.257 0.000 1.094 364 K CB 0.435 32.695 32.500 -0.400 0.000 0.841 364 K HN 0.145 nan 8.250 nan 0.000 0.523 365 L N 0.202 121.326 121.223 -0.164 0.000 2.463 365 L HA 0.057 4.397 4.340 -0.001 0.000 0.219 365 L C 2.207 179.032 176.870 -0.074 0.000 1.088 365 L CA 0.301 55.075 54.840 -0.109 0.000 0.849 365 L CB -0.002 41.998 42.059 -0.098 0.000 1.012 365 L HN -0.017 nan 8.230 nan 0.000 0.468 366 Q N 0.420 120.177 119.800 -0.072 0.000 2.187 366 Q HA -0.118 4.222 4.340 -0.001 0.000 0.199 366 Q C 1.863 177.842 176.000 -0.036 0.000 0.957 366 Q CA 1.152 56.927 55.803 -0.047 0.000 0.857 366 Q CB 0.217 28.930 28.738 -0.041 0.000 0.929 366 Q HN 0.541 nan 8.270 nan 0.000 0.453 367 E N -0.001 120.175 120.200 -0.040 0.000 2.106 367 E HA -0.122 4.227 4.350 -0.001 0.000 0.192 367 E C 2.075 178.666 176.600 -0.015 0.000 0.984 367 E CA 0.488 56.875 56.400 -0.022 0.000 0.806 367 E CB 0.071 29.760 29.700 -0.018 0.000 0.750 367 E HN 0.212 nan 8.360 nan 0.000 0.458 368 R N 0.441 120.924 120.500 -0.028 0.000 2.096 368 R HA -0.161 4.179 4.340 -0.001 0.000 0.229 368 R C 2.720 179.012 176.300 -0.013 0.000 1.134 368 R CA 1.956 58.043 56.100 -0.022 0.000 0.917 368 R CB -0.947 29.331 30.300 -0.037 0.000 0.832 368 R HN 0.203 nan 8.270 nan 0.000 0.430 369 V N -1.116 118.787 119.914 -0.019 0.000 2.332 369 V HA -0.153 3.966 4.120 -0.001 0.000 0.248 369 V C 2.348 178.437 176.094 -0.008 0.000 1.055 369 V CA 1.859 64.150 62.300 -0.014 0.000 1.038 369 V CB -1.210 30.603 31.823 -0.018 0.000 0.651 369 V HN 0.359 nan 8.190 nan 0.000 0.450 370 A N 0.246 123.061 122.820 -0.008 0.000 1.978 370 A HA -0.178 4.141 4.320 -0.001 0.000 0.220 370 A C 2.300 179.885 177.584 0.000 0.000 1.170 370 A CA 2.199 54.233 52.037 -0.005 0.000 0.636 370 A CB -0.516 18.481 19.000 -0.006 0.000 0.810 370 A HN 0.638 nan 8.150 nan 0.000 0.448 371 K N -1.632 118.772 120.400 0.006 0.000 2.374 371 K HA 0.276 4.595 4.320 -0.001 0.000 0.196 371 K C 1.242 177.853 176.600 0.018 0.000 1.023 371 K CA -0.014 56.282 56.287 0.015 0.000 1.103 371 K CB 0.209 32.725 32.500 0.028 0.000 0.848 371 K HN 0.374 nan 8.250 nan 0.000 0.528 372 L N -0.595 120.634 121.223 0.011 0.000 2.362 372 L HA 0.242 4.581 4.340 -0.001 0.000 0.204 372 L C 1.711 178.584 176.870 0.004 0.000 1.060 372 L CA 1.044 55.890 54.840 0.009 0.000 0.827 372 L CB 0.204 42.264 42.059 0.003 0.000 1.027 372 L HN -0.026 nan 8.230 nan 0.000 0.474 373 A N -1.215 121.605 122.820 -0.000 0.000 2.169 373 A HA 0.338 4.657 4.320 -0.001 0.000 0.210 373 A C 2.031 179.613 177.584 -0.002 0.000 1.168 373 A CA 0.588 52.624 52.037 -0.002 0.000 0.813 373 A CB -0.782 18.215 19.000 -0.005 0.000 0.861 373 A HN 0.428 nan 8.150 nan 0.000 0.481 374 G N -0.140 108.659 108.800 -0.001 0.000 2.404 374 G HA2 0.367 4.326 3.960 -0.001 0.000 0.214 374 G HA3 0.367 4.326 3.960 -0.001 0.000 0.214 374 G C 1.119 176.018 174.900 -0.001 0.000 1.189 374 G CA 0.857 45.955 45.100 -0.002 0.000 0.789 374 G HN 1.703 nan 8.290 nan 0.000 0.533 375 G N -2.016 106.785 108.800 0.001 0.000 2.500 375 G HA2 0.139 4.099 3.960 -0.001 0.000 0.209 375 G HA3 0.139 4.099 3.960 -0.001 0.000 0.209 375 G C -1.029 173.871 174.900 -0.001 0.000 1.283 375 G CA -0.294 44.807 45.100 0.002 0.000 0.960 375 G HN 1.044 nan 8.290 nan 0.000 0.528 376 V N 0.561 120.473 119.914 -0.004 0.000 2.638 376 V HA 0.759 4.878 4.120 -0.001 0.000 0.306 376 V C 0.777 176.864 176.094 -0.011 0.000 1.052 376 V CA 0.007 62.302 62.300 -0.009 0.000 0.885 376 V CB 1.275 33.092 31.823 -0.009 0.000 0.999 376 V HN 2.136 nan 8.190 nan 0.000 0.424 377 A N 4.094 126.906 122.820 -0.014 0.000 2.302 377 A HA 0.826 5.145 4.320 -0.001 0.000 0.285 377 A C -0.614 176.962 177.584 -0.014 0.000 1.105 377 A CA -0.401 51.628 52.037 -0.013 0.000 0.816 377 A CB 1.175 20.167 19.000 -0.014 0.000 1.067 377 A HN 0.769 nan 8.150 nan 0.000 0.489 378 V N 2.869 122.775 119.914 -0.012 0.000 2.569 378 V HA 0.314 4.433 4.120 -0.001 0.000 0.301 378 V C -0.695 175.394 176.094 -0.010 0.000 1.044 378 V CA -0.126 62.167 62.300 -0.011 0.000 0.874 378 V CB 1.561 33.377 31.823 -0.011 0.000 1.002 378 V HN 0.731 nan 8.190 nan 0.000 0.424 379 I N 5.568 126.133 120.570 -0.009 0.000 2.330 379 I HA 0.381 4.550 4.170 -0.001 0.000 0.286 379 I C 0.205 176.319 176.117 -0.005 0.000 1.025 379 I CA -0.482 60.814 61.300 -0.007 0.000 1.197 379 I CB 0.980 38.977 38.000 -0.006 0.000 1.358 379 I HN 0.424 nan 8.210 nan 0.000 0.467 380 K N 6.114 126.510 120.400 -0.006 0.000 2.284 380 K HA 0.335 4.655 4.320 -0.001 0.000 0.287 380 K C -0.579 176.018 176.600 -0.004 0.000 1.081 380 K CA -0.533 55.751 56.287 -0.005 0.000 0.910 380 K CB 1.558 34.054 32.500 -0.006 0.000 1.088 380 K HN 0.338 nan 8.250 nan 0.000 0.478 381 V N 2.660 122.573 119.914 -0.003 0.000 2.415 381 V HA 0.127 4.247 4.120 -0.001 0.000 0.267 381 V C 0.908 177.001 176.094 -0.002 0.000 1.042 381 V CA -0.681 61.618 62.300 -0.002 0.000 1.000 381 V CB 0.635 32.457 31.823 -0.001 0.000 1.015 381 V HN 0.836 nan 8.190 nan 0.000 0.478 382 G N 3.708 112.507 108.800 -0.002 0.000 2.320 382 G HA2 0.675 4.634 3.960 -0.001 0.000 0.300 382 G HA3 0.675 4.634 3.960 -0.001 0.000 0.300 382 G C -0.206 174.692 174.900 -0.002 0.000 1.126 382 G CA 0.242 45.341 45.100 -0.003 0.000 0.896 382 G HN 1.142 nan 8.290 nan 0.000 0.436 383 A N 1.449 124.268 122.820 -0.002 0.000 2.569 383 A HA 0.882 5.201 4.320 -0.001 0.000 0.290 383 A C 0.768 178.350 177.584 -0.002 0.000 1.136 383 A CA 0.157 52.193 52.037 -0.002 0.000 0.710 383 A CB 1.120 20.119 19.000 -0.002 0.000 1.303 383 A HN 1.429 nan 8.150 nan 0.000 0.413 384 A N -0.092 122.727 122.820 -0.002 0.000 1.843 384 A HA 0.388 4.707 4.320 -0.001 0.000 0.213 384 A C 1.403 178.986 177.584 -0.002 0.000 1.239 384 A CA 1.947 53.982 52.037 -0.002 0.000 0.606 384 A CB -1.144 17.855 19.000 -0.002 0.000 0.903 384 A HN 1.563 nan 8.150 nan 0.000 0.455 385 T N -2.679 111.874 114.554 -0.002 0.000 2.849 385 T HA 0.321 4.670 4.350 -0.001 0.000 0.284 385 T C 0.720 175.419 174.700 -0.002 0.000 1.004 385 T CA -0.101 61.998 62.100 -0.002 0.000 1.021 385 T CB 1.459 70.326 68.868 -0.002 0.000 1.013 385 T HN 0.299 nan 8.240 nan 0.000 0.527 386 E N 0.016 120.215 120.200 -0.002 0.000 2.107 386 E HA -0.073 4.276 4.350 -0.001 0.000 0.191 386 E C 2.059 178.658 176.600 -0.002 0.000 0.982 386 E CA 0.705 57.103 56.400 -0.002 0.000 0.809 386 E CB -0.094 29.604 29.700 -0.002 0.000 0.756 386 E HN 0.573 nan 8.360 nan 0.000 0.459 387 V N 1.100 121.012 119.914 -0.002 0.000 2.667 387 V HA -0.160 3.959 4.120 -0.001 0.000 0.252 387 V C 1.997 178.090 176.094 -0.003 0.000 1.065 387 V CA 1.450 63.748 62.300 -0.003 0.000 1.083 387 V CB -0.414 31.407 31.823 -0.002 0.000 0.692 387 V HN 0.176 nan 8.190 nan 0.000 0.468 388 E N -0.509 119.689 120.200 -0.002 0.000 2.216 388 E HA -0.087 4.262 4.350 -0.001 0.000 0.192 388 E C 2.156 178.755 176.600 -0.002 0.000 0.988 388 E CA 0.638 57.037 56.400 -0.002 0.000 0.834 388 E CB -0.094 29.605 29.700 -0.002 0.000 0.772 388 E HN 0.421 nan 8.360 nan 0.000 0.479 389 M N 0.851 120.450 119.600 -0.002 0.000 2.229 389 M HA -0.145 4.334 4.480 -0.001 0.000 0.264 389 M C 1.756 178.054 176.300 -0.002 0.000 1.063 389 M CA 1.243 56.541 55.300 -0.002 0.000 1.114 389 M CB -0.037 32.561 32.600 -0.002 0.000 1.387 389 M HN -0.071 nan 8.290 nan 0.000 0.420 390 K N 0.390 120.789 120.400 -0.002 0.000 1.973 390 K HA -0.167 4.152 4.320 -0.001 0.000 0.212 390 K C 1.786 178.385 176.600 -0.002 0.000 1.047 390 K CA 1.570 57.856 56.287 -0.002 0.000 0.937 390 K CB -0.601 31.897 32.500 -0.003 0.000 0.721 390 K HN 0.490 nan 8.250 nan 0.000 0.440 391 E N 0.706 120.904 120.200 -0.002 0.000 2.110 391 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 391 E C 2.104 178.703 176.600 -0.001 0.000 0.988 391 E CA 0.978 57.377 56.400 -0.003 0.000 0.804 391 E CB 0.003 29.701 29.700 -0.003 0.000 0.745 391 E HN 0.211 nan 8.360 nan 0.000 0.458 392 K N 1.166 121.566 120.400 -0.001 0.000 2.148 392 K HA -0.163 4.157 4.320 -0.001 0.000 0.204 392 K C 2.085 178.686 176.600 0.002 0.000 1.050 392 K CA 1.008 57.294 56.287 0.000 0.000 0.942 392 K CB 0.105 32.605 32.500 -0.001 0.000 0.724 392 K HN -0.117 nan 8.250 nan 0.000 0.446 393 K N -0.192 120.209 120.400 0.002 0.000 2.062 393 K HA -0.032 4.287 4.320 -0.001 0.000 0.205 393 K C 1.750 178.354 176.600 0.006 0.000 1.051 393 K CA 1.072 57.361 56.287 0.004 0.000 0.941 393 K CB -0.034 32.467 32.500 0.003 0.000 0.719 393 K HN 0.146 nan 8.250 nan 0.000 0.440 394 A N 0.764 123.586 122.820 0.003 0.000 2.168 394 A HA -0.042 4.277 4.320 -0.001 0.000 0.215 394 A C 1.582 179.167 177.584 0.002 0.000 1.152 394 A CA 0.876 52.914 52.037 0.001 0.000 0.716 394 A CB -0.135 18.863 19.000 -0.004 0.000 0.794 394 A HN 0.252 nan 8.150 nan 0.000 0.465 395 R N -1.451 119.052 120.500 0.004 0.000 2.437 395 R HA 0.237 4.576 4.340 -0.001 0.000 0.257 395 R C 0.858 177.165 176.300 0.011 0.000 0.927 395 R CA 0.236 56.339 56.100 0.005 0.000 1.078 395 R CB 0.543 30.844 30.300 0.001 0.000 1.161 395 R HN 0.352 nan 8.270 nan 0.000 0.529 396 V N 0.295 120.218 119.914 0.014 0.000 2.672 396 V HA -0.044 4.076 4.120 -0.001 0.000 0.242 396 V C 1.754 177.868 176.094 0.034 0.000 1.059 396 V CA 1.123 63.433 62.300 0.018 0.000 1.081 396 V CB 0.153 31.983 31.823 0.011 0.000 0.752 396 V HN 0.205 nan 8.190 nan 0.000 0.472 397 E N 0.460 120.685 120.200 0.041 0.000 2.058 397 E HA -0.254 4.096 4.350 -0.001 0.000 0.194 397 E C 1.879 178.556 176.600 0.128 0.000 0.997 397 E CA 1.742 58.190 56.400 0.080 0.000 0.801 397 E CB -0.117 29.619 29.700 0.060 0.000 0.746 397 E HN 0.562 nan 8.360 nan 0.000 0.450 398 D N 0.088 120.527 120.400 0.065 0.000 2.117 398 D HA -0.107 4.532 4.640 -0.001 0.000 0.198 398 D C 1.910 178.258 176.300 0.079 0.000 0.982 398 D CA 1.179 55.212 54.000 0.055 0.000 0.828 398 D CB -0.151 40.653 40.800 0.007 0.000 0.967 398 D HN 0.152 nan 8.370 nan 0.000 0.464 399 A N 0.791 123.641 122.820 0.051 0.000 1.972 399 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 399 A C 2.184 179.792 177.584 0.040 0.000 1.169 399 A CA 0.812 52.871 52.037 0.037 0.000 0.635 399 A CB -0.549 18.464 19.000 0.021 0.000 0.810 399 A HN 0.210 nan 8.150 nan 0.000 0.446 400 L N -1.285 119.966 121.223 0.046 0.000 2.109 400 L HA -0.106 4.234 4.340 -0.001 0.000 0.207 400 L C 2.364 179.230 176.870 -0.007 0.000 1.086 400 L CA 1.804 56.650 54.840 0.009 0.000 0.760 400 L CB -0.544 41.510 42.059 -0.008 0.000 0.910 400 L HN 0.501 nan 8.230 nan 0.000 0.437 401 H N -0.944 118.121 119.070 -0.008 0.000 2.389 401 H HA -0.031 4.525 4.556 -0.001 0.000 0.299 401 H C 2.045 177.370 175.328 -0.005 0.000 1.081 401 H CA 1.352 57.395 56.048 -0.008 0.000 1.345 401 H CB 0.173 29.929 29.762 -0.010 0.000 1.393 401 H HN 0.507 nan 8.280 nan 0.000 0.520 402 A N 0.162 123.049 122.820 0.111 0.000 1.929 402 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 402 A C 2.551 180.153 177.584 0.030 0.000 1.176 402 A CA 1.656 53.729 52.037 0.060 0.000 0.628 402 A CB -0.614 18.412 19.000 0.044 0.000 0.816 402 A HN 0.332 nan 8.150 nan 0.000 0.444 403 T N -0.487 114.078 114.554 0.018 0.000 2.821 403 T HA -0.088 4.262 4.350 -0.001 0.000 0.267 403 T C 2.109 176.804 174.700 -0.009 0.000 1.046 403 T CA 0.995 63.097 62.100 0.003 0.000 1.139 403 T CB -0.209 68.657 68.868 -0.003 0.000 0.871 403 T HN 0.289 nan 8.240 nan 0.000 0.454 404 R N 1.246 121.730 120.500 -0.026 0.000 2.083 404 R HA 0.015 4.355 4.340 -0.001 0.000 0.237 404 R C 2.643 178.932 176.300 -0.018 0.000 1.137 404 R CA 1.616 57.690 56.100 -0.044 0.000 0.951 404 R CB -0.894 29.344 30.300 -0.102 0.000 0.851 404 R HN 0.445 nan 8.270 nan 0.000 0.434 405 A N 0.287 123.108 122.820 0.002 0.000 2.014 405 A HA 0.057 4.376 4.320 -0.001 0.000 0.218 405 A C 2.192 179.784 177.584 0.013 0.000 1.163 405 A CA 1.301 53.347 52.037 0.016 0.000 0.652 405 A CB -0.257 18.763 19.000 0.034 0.000 0.808 405 A HN 0.353 nan 8.150 nan 0.000 0.449 406 A N -0.652 122.174 122.820 0.010 0.000 2.066 406 A HA 0.146 4.465 4.320 -0.001 0.000 0.218 406 A C 2.012 179.599 177.584 0.005 0.000 1.157 406 A CA 1.570 53.612 52.037 0.009 0.000 0.670 406 A CB -0.376 18.629 19.000 0.008 0.000 0.804 406 A HN 0.325 nan 8.150 nan 0.000 0.453 407 V N -0.556 119.359 119.914 0.001 0.000 2.575 407 V HA -0.116 4.003 4.120 -0.001 0.000 0.242 407 V C 2.250 178.345 176.094 0.001 0.000 1.045 407 V CA 1.609 63.908 62.300 -0.001 0.000 1.065 407 V CB -0.547 31.272 31.823 -0.007 0.000 0.717 407 V HN 0.572 nan 8.190 nan 0.000 0.467 408 E N 0.161 120.362 120.200 0.002 0.000 2.047 408 E HA -0.169 4.180 4.350 -0.001 0.000 0.191 408 E C 1.866 178.471 176.600 0.009 0.000 0.987 408 E CA 1.461 57.863 56.400 0.004 0.000 0.799 408 E CB 0.073 29.776 29.700 0.005 0.000 0.752 408 E HN 0.639 nan 8.360 nan 0.000 0.449 409 E N -1.076 119.130 120.200 0.011 0.000 2.474 409 E HA 0.208 4.557 4.350 -0.001 0.000 0.215 409 E C 0.521 177.128 176.600 0.013 0.000 0.867 409 E CA 0.279 56.687 56.400 0.013 0.000 1.135 409 E CB 1.768 31.478 29.700 0.017 0.000 1.147 409 E HN 0.198 nan 8.360 nan 0.000 0.534 410 G N 1.225 110.033 108.800 0.012 0.000 2.466 410 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.316 410 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.316 410 G C -0.806 174.103 174.900 0.014 0.000 1.270 410 G CA -0.521 44.587 45.100 0.012 0.000 0.982 410 G HN 0.399 nan 8.290 nan 0.000 0.506 411 V N -2.027 117.895 119.914 0.014 0.000 2.588 411 V HA 0.890 5.010 4.120 -0.001 0.000 0.304 411 V C 0.736 176.840 176.094 0.016 0.000 1.042 411 V CA -0.070 62.239 62.300 0.015 0.000 0.877 411 V CB 0.793 32.624 31.823 0.013 0.000 0.996 411 V HN 2.182 nan 8.190 nan 0.000 0.425 412 V N 1.510 121.435 119.914 0.018 0.000 3.302 412 V HA 0.988 5.108 4.120 -0.001 0.000 0.316 412 V C 0.813 176.919 176.094 0.020 0.000 1.111 412 V CA -0.427 61.885 62.300 0.020 0.000 1.029 412 V CB 1.332 33.168 31.823 0.022 0.000 1.170 412 V HN 1.672 nan 8.190 nan 0.000 0.452 413 A N 0.805 123.639 122.820 0.023 0.000 2.454 413 A HA 0.649 4.968 4.320 -0.001 0.000 0.260 413 A C 0.829 178.425 177.584 0.019 0.000 1.106 413 A CA 0.377 52.428 52.037 0.023 0.000 0.780 413 A CB -0.542 18.477 19.000 0.032 0.000 1.044 413 A HN 1.699 nan 8.150 nan 0.000 0.498 414 G N 0.902 109.708 108.800 0.011 0.000 2.486 414 G HA2 0.489 4.448 3.960 -0.001 0.000 0.272 414 G HA3 0.489 4.448 3.960 -0.001 0.000 0.272 414 G C 1.183 176.088 174.900 0.008 0.000 1.426 414 G CA 0.028 45.133 45.100 0.008 0.000 1.058 414 G HN 2.241 nan 8.290 nan 0.000 0.531 415 G N -2.353 106.451 108.800 0.006 0.000 2.155 415 G HA2 0.203 4.162 3.960 -0.001 0.000 0.257 415 G HA3 0.203 4.162 3.960 -0.001 0.000 0.257 415 G C 1.528 176.443 174.900 0.026 0.000 0.983 415 G CA 1.113 46.221 45.100 0.014 0.000 0.676 415 G HN 2.513 nan 8.290 nan 0.000 0.528 416 G N -2.072 106.742 108.800 0.022 0.000 2.168 416 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.257 416 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.257 416 G C 1.793 176.711 174.900 0.030 0.000 0.997 416 G CA 1.968 47.083 45.100 0.025 0.000 0.708 416 G HN 2.244 nan 8.290 nan 0.000 0.520 417 V N -2.809 117.124 119.914 0.032 0.000 2.719 417 V HA 0.434 4.554 4.120 -0.001 0.000 0.252 417 V C 2.756 178.874 176.094 0.040 0.000 1.065 417 V CA 1.686 64.010 62.300 0.040 0.000 1.086 417 V CB -0.626 31.223 31.823 0.044 0.000 0.700 417 V HN 1.307 nan 8.190 nan 0.000 0.467 418 A N 1.261 124.102 122.820 0.034 0.000 1.883 418 A HA -0.101 4.219 4.320 -0.001 0.000 0.217 418 A C 2.208 179.810 177.584 0.030 0.000 1.186 418 A CA 2.418 54.474 52.037 0.032 0.000 0.624 418 A CB -0.731 18.285 19.000 0.027 0.000 0.822 418 A HN 0.594 nan 8.150 nan 0.000 0.444 419 L N -1.091 120.149 121.223 0.028 0.000 2.056 419 L HA -0.043 4.297 4.340 -0.001 0.000 0.207 419 L C 2.449 179.335 176.870 0.027 0.000 1.078 419 L CA 1.169 56.025 54.840 0.026 0.000 0.749 419 L CB -0.324 41.750 42.059 0.024 0.000 0.901 419 L HN 0.433 nan 8.230 nan 0.000 0.433 420 I N -0.549 120.040 120.570 0.031 0.000 2.676 420 I HA -0.230 3.940 4.170 -0.001 0.000 0.259 420 I C 2.635 178.775 176.117 0.039 0.000 1.194 420 I CA 0.641 61.961 61.300 0.034 0.000 1.473 420 I CB 0.068 38.091 38.000 0.038 0.000 1.096 420 I HN 0.173 nan 8.210 nan 0.000 0.443 421 R N 0.036 120.560 120.500 0.041 0.000 2.093 421 R HA -0.027 4.312 4.340 -0.001 0.000 0.224 421 R C 1.977 178.297 176.300 0.032 0.000 1.101 421 R CA 1.333 57.458 56.100 0.043 0.000 0.979 421 R CB -0.668 29.661 30.300 0.047 0.000 0.877 421 R HN 0.187 nan 8.270 nan 0.000 0.441 422 V N 0.829 120.759 119.914 0.028 0.000 2.407 422 V HA -0.192 3.927 4.120 -0.001 0.000 0.248 422 V C 2.274 178.380 176.094 0.020 0.000 1.055 422 V CA 1.827 64.140 62.300 0.022 0.000 1.049 422 V CB -0.822 31.013 31.823 0.020 0.000 0.662 422 V HN 0.471 nan 8.190 nan 0.000 0.455 423 A N 0.820 123.652 122.820 0.022 0.000 1.908 423 A HA -0.241 4.078 4.320 -0.001 0.000 0.218 423 A C 2.530 180.124 177.584 0.018 0.000 1.181 423 A CA 2.483 54.532 52.037 0.019 0.000 0.627 423 A CB -0.795 18.217 19.000 0.020 0.000 0.818 423 A HN 0.702 nan 8.150 nan 0.000 0.445 424 S N -0.704 115.009 115.700 0.021 0.000 2.453 424 S HA -0.033 4.436 4.470 -0.001 0.000 0.231 424 S C 1.578 176.187 174.600 0.016 0.000 1.005 424 S CA 1.267 59.478 58.200 0.020 0.000 0.949 424 S CB -0.211 63.004 63.200 0.024 0.000 0.774 424 S HN 0.589 nan 8.310 nan 0.000 0.510 425 K N 0.375 120.786 120.400 0.017 0.000 2.426 425 K HA 0.348 4.667 4.320 -0.001 0.000 0.193 425 K C 0.648 177.255 176.600 0.011 0.000 1.028 425 K CA 0.218 56.513 56.287 0.014 0.000 1.047 425 K CB 0.033 32.542 32.500 0.016 0.000 0.821 425 K HN 0.382 nan 8.250 nan 0.000 0.513 426 L N -0.237 120.992 121.223 0.011 0.000 3.014 426 L HA 0.254 4.594 4.340 -0.001 0.000 0.263 426 L C 1.425 178.300 176.870 0.008 0.000 1.207 426 L CA -0.189 54.657 54.840 0.009 0.000 1.017 426 L CB 0.585 42.649 42.059 0.009 0.000 1.360 426 L HN 0.031 nan 8.230 nan 0.000 0.560 427 A N -0.500 122.325 122.820 0.009 0.000 2.067 427 A HA -0.135 4.184 4.320 -0.001 0.000 0.219 427 A C 1.527 179.115 177.584 0.006 0.000 1.158 427 A CA 1.300 53.341 52.037 0.008 0.000 0.661 427 A CB -0.134 18.871 19.000 0.008 0.000 0.801 427 A HN 0.285 nan 8.150 nan 0.000 0.452 428 D N -1.032 119.371 120.400 0.006 0.000 2.339 428 D HA 0.130 4.769 4.640 -0.001 0.000 0.217 428 D C 0.182 176.484 176.300 0.004 0.000 1.050 428 D CA -0.057 53.946 54.000 0.004 0.000 0.856 428 D CB -0.035 40.767 40.800 0.004 0.000 0.922 428 D HN 0.339 nan 8.370 nan 0.000 0.518 429 L N 1.651 122.876 121.223 0.004 0.000 2.410 429 L HA 0.168 4.507 4.340 -0.001 0.000 0.273 429 L C 0.097 176.969 176.870 0.003 0.000 1.152 429 L CA 0.425 55.268 54.840 0.004 0.000 0.855 429 L CB 0.245 42.307 42.059 0.004 0.000 1.129 429 L HN -0.243 nan 8.230 nan 0.000 0.463 430 R N 2.963 123.465 120.500 0.003 0.000 2.867 430 R HA 0.637 4.976 4.340 -0.001 0.000 0.268 430 R C -0.073 176.228 176.300 0.002 0.000 1.014 430 R CA -0.278 55.824 56.100 0.002 0.000 0.946 430 R CB 1.492 31.793 30.300 0.002 0.000 1.208 430 R HN 0.808 nan 8.270 nan 0.000 0.477 431 G N -0.129 108.672 108.800 0.002 0.000 3.075 431 G HA2 0.146 4.106 3.960 -0.001 0.000 0.156 431 G HA3 0.146 4.106 3.960 -0.001 0.000 0.156 431 G C 0.193 175.093 174.900 0.001 0.000 1.403 431 G CA 0.046 45.147 45.100 0.002 0.000 1.033 431 G HN 0.438 nan 8.290 nan 0.000 0.589 432 Q N -0.688 119.113 119.800 0.001 0.000 2.442 432 Q HA 0.166 4.506 4.340 -0.001 0.000 0.228 432 Q C 0.008 176.009 176.000 0.001 0.000 0.902 432 Q CA 0.267 56.071 55.803 0.001 0.000 0.933 432 Q CB 0.467 29.206 28.738 0.001 0.000 1.071 432 Q HN 0.625 nan 8.270 nan 0.000 0.562 433 N N -1.319 117.382 118.700 0.002 0.000 2.629 433 N HA 0.067 4.806 4.740 -0.001 0.000 0.279 433 N C 0.131 175.643 175.510 0.002 0.000 1.344 433 N CA -0.481 52.570 53.050 0.002 0.000 0.789 433 N CB 0.527 39.015 38.487 0.002 0.000 1.508 433 N HN -0.263 nan 8.380 nan 0.000 0.516 434 E N -0.319 119.882 120.200 0.002 0.000 2.085 434 E HA -0.181 4.169 4.350 -0.001 0.000 0.194 434 E C 0.425 177.026 176.600 0.003 0.000 0.994 434 E CA 1.705 58.106 56.400 0.002 0.000 0.801 434 E CB -0.331 29.370 29.700 0.002 0.000 0.743 434 E HN 0.594 nan 8.360 nan 0.000 0.453 435 D N -0.040 120.362 120.400 0.003 0.000 2.144 435 D HA -0.149 4.491 4.640 -0.001 0.000 0.199 435 D C 1.870 178.172 176.300 0.003 0.000 0.984 435 D CA 0.920 54.922 54.000 0.003 0.000 0.834 435 D CB -0.202 40.600 40.800 0.003 0.000 0.955 435 D HN 0.390 nan 8.370 nan 0.000 0.465 436 Q N 0.059 119.861 119.800 0.003 0.000 2.123 436 Q HA -0.066 4.273 4.340 -0.001 0.000 0.199 436 Q C 1.782 177.784 176.000 0.003 0.000 0.966 436 Q CA 0.557 56.362 55.803 0.003 0.000 0.845 436 Q CB 0.036 28.775 28.738 0.002 0.000 0.907 436 Q HN 0.239 nan 8.270 nan 0.000 0.439 437 N N 0.119 118.820 118.700 0.003 0.000 2.166 437 N HA -0.124 4.616 4.740 -0.001 0.000 0.186 437 N C 1.807 177.319 175.510 0.004 0.000 1.019 437 N CA 1.033 54.085 53.050 0.003 0.000 0.856 437 N CB -0.132 38.356 38.487 0.003 0.000 0.993 437 N HN 0.063 nan 8.380 nan 0.000 0.426 438 V N 0.547 120.463 119.914 0.004 0.000 2.453 438 V HA -0.064 4.056 4.120 -0.001 0.000 0.247 438 V C 2.434 178.531 176.094 0.005 0.000 1.048 438 V CA 1.719 64.022 62.300 0.004 0.000 1.049 438 V CB -1.120 30.705 31.823 0.004 0.000 0.672 438 V HN 0.297 nan 8.190 nan 0.000 0.457 439 G N 0.333 109.136 108.800 0.005 0.000 2.442 439 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.219 439 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.219 439 G C 1.549 176.452 174.900 0.005 0.000 1.141 439 G CA 1.129 46.233 45.100 0.005 0.000 0.763 439 G HN 0.511 nan 8.290 nan 0.000 0.554 440 I N 0.216 120.789 120.570 0.005 0.000 2.202 440 I HA -0.088 4.081 4.170 -0.001 0.000 0.242 440 I C 2.597 178.718 176.117 0.006 0.000 1.091 440 I CA 0.927 62.230 61.300 0.005 0.000 1.368 440 I CB -0.093 37.910 38.000 0.004 0.000 1.058 440 I HN -0.055 nan 8.210 nan 0.000 0.410 441 K N 0.618 121.022 120.400 0.006 0.000 2.209 441 K HA -0.060 4.259 4.320 -0.001 0.000 0.204 441 K C 2.134 178.738 176.600 0.007 0.000 1.048 441 K CA 0.933 57.223 56.287 0.006 0.000 0.940 441 K CB -0.507 31.997 32.500 0.006 0.000 0.729 441 K HN 0.226 nan 8.250 nan 0.000 0.451 442 V N 1.448 121.366 119.914 0.007 0.000 2.307 442 V HA -0.223 3.897 4.120 -0.001 0.000 0.245 442 V C 2.440 178.539 176.094 0.009 0.000 1.045 442 V CA 1.986 64.291 62.300 0.008 0.000 1.024 442 V CB -0.678 31.149 31.823 0.008 0.000 0.651 442 V HN 0.284 nan 8.190 nan 0.000 0.449 443 A N -0.472 122.353 122.820 0.009 0.000 1.930 443 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 443 A C 2.171 179.762 177.584 0.011 0.000 1.175 443 A CA 1.542 53.584 52.037 0.010 0.000 0.627 443 A CB -0.454 18.551 19.000 0.008 0.000 0.815 443 A HN 0.515 nan 8.150 nan 0.000 0.443 444 L N -1.362 119.867 121.223 0.010 0.000 2.109 444 L HA -0.073 4.266 4.340 -0.001 0.000 0.207 444 L C 2.669 179.547 176.870 0.012 0.000 1.086 444 L CA 0.982 55.829 54.840 0.011 0.000 0.760 444 L CB -0.373 41.692 42.059 0.010 0.000 0.910 444 L HN 0.298 nan 8.230 nan 0.000 0.437 445 R N -0.182 120.325 120.500 0.010 0.000 2.276 445 R HA 0.026 4.365 4.340 -0.001 0.000 0.203 445 R C 2.186 178.492 176.300 0.010 0.000 1.017 445 R CA 0.780 56.886 56.100 0.010 0.000 1.010 445 R CB -0.091 30.214 30.300 0.008 0.000 0.900 445 R HN 0.304 nan 8.270 nan 0.000 0.469 446 A N 0.405 123.232 122.820 0.011 0.000 2.021 446 A HA -0.038 4.282 4.320 -0.001 0.000 0.216 446 A C 1.915 179.508 177.584 0.014 0.000 1.163 446 A CA 0.620 52.665 52.037 0.013 0.000 0.676 446 A CB -0.096 18.912 19.000 0.014 0.000 0.818 446 A HN 0.150 nan 8.150 nan 0.000 0.453 447 M N -0.472 119.137 119.600 0.015 0.000 2.476 447 M HA -0.060 4.419 4.480 -0.001 0.000 0.262 447 M C 1.582 177.893 176.300 0.018 0.000 1.079 447 M CA 0.935 56.245 55.300 0.017 0.000 1.104 447 M CB -0.131 32.480 32.600 0.018 0.000 1.409 447 M HN 0.430 nan 8.290 nan 0.000 0.467 448 E N 0.352 120.561 120.200 0.016 0.000 2.216 448 E HA -0.059 4.291 4.350 -0.001 0.000 0.192 448 E C 2.147 178.754 176.600 0.011 0.000 0.988 448 E CA 0.814 57.223 56.400 0.015 0.000 0.834 448 E CB -0.037 29.670 29.700 0.012 0.000 0.772 448 E HN 0.515 nan 8.360 nan 0.000 0.479 449 A N 2.206 125.032 122.820 0.010 0.000 1.908 449 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 449 A C -0.328 177.261 177.584 0.008 0.000 1.181 449 A CA 1.156 53.197 52.037 0.008 0.000 0.627 449 A CB -1.387 17.618 19.000 0.008 0.000 0.818 449 A HN 0.128 nan 8.150 nan 0.000 0.445 450 P HA -0.184 nan 4.420 nan 0.000 0.214 450 P C 1.808 179.116 177.300 0.012 0.000 1.163 450 P CA 1.061 64.169 63.100 0.012 0.000 0.889 450 P CB -0.134 31.576 31.700 0.016 0.000 0.790 451 L N -0.702 120.529 121.223 0.014 0.000 1.989 451 L HA -0.201 4.139 4.340 -0.001 0.000 0.211 451 L C 2.511 179.380 176.870 -0.002 0.000 1.071 451 L CA 1.804 56.652 54.840 0.014 0.000 0.749 451 L CB -0.369 41.701 42.059 0.019 0.000 0.890 451 L HN -0.198 nan 8.230 nan 0.000 0.431 452 R N -0.864 119.632 120.500 -0.007 0.000 2.127 452 R HA -0.245 4.095 4.340 -0.001 0.000 0.238 452 R C 2.300 178.589 176.300 -0.018 0.000 1.134 452 R CA 1.715 57.803 56.100 -0.019 0.000 0.975 452 R CB -0.293 29.999 30.300 -0.012 0.000 0.865 452 R HN 0.410 nan 8.270 nan 0.000 0.447 453 Q N 0.769 120.565 119.800 -0.006 0.000 2.123 453 Q HA -0.022 4.317 4.340 -0.001 0.000 0.199 453 Q C 1.789 177.788 176.000 -0.001 0.000 0.966 453 Q CA 1.325 57.126 55.803 -0.004 0.000 0.845 453 Q CB 0.039 28.777 28.738 0.001 0.000 0.907 453 Q HN 0.342 nan 8.270 nan 0.000 0.439 454 I N -0.833 119.740 120.570 0.005 0.000 2.252 454 I HA -0.222 3.947 4.170 -0.001 0.000 0.245 454 I C 1.909 178.038 176.117 0.019 0.000 1.102 454 I CA 0.725 62.036 61.300 0.018 0.000 1.385 454 I CB -0.252 37.769 38.000 0.035 0.000 1.064 454 I HN 0.010 nan 8.210 nan 0.000 0.414 455 V N 0.672 120.578 119.914 -0.013 0.000 2.515 455 V HA -0.244 3.875 4.120 -0.001 0.000 0.250 455 V C 2.381 178.447 176.094 -0.047 0.000 1.058 455 V CA 1.387 63.646 62.300 -0.069 0.000 1.064 455 V CB -0.498 31.218 31.823 -0.178 0.000 0.675 455 V HN 0.344 nan 8.190 nan 0.000 0.461 456 L N 0.943 122.148 121.223 -0.031 0.000 2.083 456 L HA -0.120 4.219 4.340 -0.001 0.000 0.209 456 L C 2.144 179.009 176.870 -0.009 0.000 1.083 456 L CA 1.897 56.725 54.840 -0.021 0.000 0.752 456 L CB -0.787 41.263 42.059 -0.015 0.000 0.899 456 L HN 0.328 nan 8.230 nan 0.000 0.433 457 N N -1.521 117.178 118.700 -0.001 0.000 2.244 457 N HA -0.178 4.561 4.740 -0.001 0.000 0.183 457 N C 1.842 177.359 175.510 0.011 0.000 1.016 457 N CA 1.373 54.426 53.050 0.005 0.000 0.866 457 N CB -0.993 37.498 38.487 0.006 0.000 0.980 457 N HN 0.456 nan 8.380 nan 0.000 0.430 458 C N -0.061 119.252 119.300 0.021 0.000 2.522 458 C HA 0.287 4.746 4.460 -0.001 0.000 0.271 458 C C 1.818 176.823 174.990 0.025 0.000 1.425 458 C CA 0.825 59.867 59.018 0.039 0.000 1.751 458 C CB -1.603 26.198 27.740 0.100 0.000 1.775 458 C HN 0.640 nan 8.230 nan 0.000 0.557 459 G N 0.355 109.159 108.800 0.006 0.000 2.284 459 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.247 459 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.247 459 G C 0.025 174.920 174.900 -0.009 0.000 1.012 459 G CA 0.395 45.495 45.100 0.001 0.000 0.618 459 G HN 0.575 nan 8.290 nan 0.000 0.521 460 E N 1.339 121.526 120.200 -0.022 0.000 2.374 460 E HA 0.334 4.683 4.350 -0.001 0.000 0.260 460 E C 0.369 176.929 176.600 -0.067 0.000 1.101 460 E CA -0.267 56.103 56.400 -0.050 0.000 0.907 460 E CB 0.476 30.117 29.700 -0.099 0.000 1.014 460 E HN 0.594 nan 8.360 nan 0.000 0.427 461 E N 3.061 123.227 120.200 -0.057 0.000 2.265 461 E HA 0.005 4.354 4.350 -0.001 0.000 0.272 461 E C -1.398 175.158 176.600 -0.073 0.000 1.067 461 E CA -1.360 55.011 56.400 -0.049 0.000 0.900 461 E CB 0.673 30.356 29.700 -0.029 0.000 1.017 461 E HN 0.228 nan 8.360 nan 0.000 0.431 462 P HA -0.202 nan 4.420 nan 0.000 0.217 462 P C 1.119 178.388 177.300 -0.053 0.000 1.150 462 P CA 1.181 64.237 63.100 -0.073 0.000 0.832 462 P CB 0.236 31.908 31.700 -0.047 0.000 0.787 463 S N 0.053 115.733 115.700 -0.033 0.000 2.370 463 S HA -0.117 4.353 4.470 -0.001 0.000 0.226 463 S C 2.160 176.751 174.600 -0.015 0.000 1.033 463 S CA 1.544 59.733 58.200 -0.019 0.000 1.011 463 S CB -1.887 61.305 63.200 -0.012 0.000 0.852 463 S HN -0.010 nan 8.310 nan 0.000 0.457 464 V N 1.678 121.580 119.914 -0.020 0.000 2.307 464 V HA -0.106 4.013 4.120 -0.001 0.000 0.245 464 V C 2.605 178.703 176.094 0.007 0.000 1.045 464 V CA 1.495 63.791 62.300 -0.005 0.000 1.024 464 V CB -0.839 30.983 31.823 -0.002 0.000 0.651 464 V HN 0.424 nan 8.190 nan 0.000 0.449 465 V N 0.364 120.258 119.914 -0.033 0.000 2.307 465 V HA -0.197 3.923 4.120 -0.001 0.000 0.245 465 V C 2.735 178.847 176.094 0.029 0.000 1.045 465 V CA 1.912 64.198 62.300 -0.024 0.000 1.024 465 V CB -1.098 30.530 31.823 -0.324 0.000 0.651 465 V HN 0.538 nan 8.190 nan 0.000 0.449 466 A N 0.260 123.076 122.820 -0.006 0.000 1.933 466 A HA -0.285 4.035 4.320 -0.001 0.000 0.218 466 A C 2.037 179.643 177.584 0.038 0.000 1.175 466 A CA 2.344 54.393 52.037 0.019 0.000 0.628 466 A CB -0.846 18.157 19.000 0.003 0.000 0.814 466 A HN 0.604 nan 8.150 nan 0.000 0.444 467 N N -0.752 117.964 118.700 0.027 0.000 2.244 467 N HA -0.093 4.646 4.740 -0.001 0.000 0.183 467 N C 1.580 177.112 175.510 0.036 0.000 1.016 467 N CA 1.944 55.010 53.050 0.026 0.000 0.866 467 N CB -0.185 38.309 38.487 0.013 0.000 0.980 467 N HN 0.438 nan 8.380 nan 0.000 0.430 468 T N -1.096 113.486 114.554 0.047 0.000 2.896 468 T HA 0.003 4.352 4.350 -0.001 0.000 0.263 468 T C 1.931 176.713 174.700 0.138 0.000 1.050 468 T CA 0.724 62.846 62.100 0.035 0.000 1.140 468 T CB -0.213 68.612 68.868 -0.072 0.000 0.877 468 T HN -0.021 nan 8.240 nan 0.000 0.457 469 V N 1.566 121.581 119.914 0.168 0.000 2.427 469 V HA -0.112 4.008 4.120 -0.001 0.000 0.248 469 V C 2.448 178.654 176.094 0.187 0.000 1.051 469 V CA 1.422 63.851 62.300 0.215 0.000 1.048 469 V CB -0.460 31.450 31.823 0.145 0.000 0.666 469 V HN 0.438 nan 8.190 nan 0.000 0.456 470 K N 0.191 120.657 120.400 0.111 0.000 2.148 470 K HA -0.060 4.260 4.320 -0.001 0.000 0.204 470 K C 2.236 178.873 176.600 0.061 0.000 1.050 470 K CA 1.231 57.564 56.287 0.076 0.000 0.942 470 K CB -0.476 32.053 32.500 0.048 0.000 0.724 470 K HN 0.556 nan 8.250 nan 0.000 0.446 471 G N 1.256 110.088 108.800 0.053 0.000 2.402 471 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.216 471 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.216 471 G C 0.763 175.653 174.900 -0.017 0.000 1.162 471 G CA 0.661 45.768 45.100 0.011 0.000 0.777 471 G HN 0.369 nan 8.290 nan 0.000 0.539 472 G N -0.601 108.193 108.800 -0.009 0.000 2.572 472 G HA2 0.467 4.426 3.960 -0.001 0.000 0.261 472 G HA3 0.467 4.426 3.960 -0.001 0.000 0.261 472 G C -1.071 173.837 174.900 0.014 0.000 1.197 472 G CA -0.356 44.669 45.100 -0.126 0.000 0.870 472 G HN 0.141 nan 8.290 nan 0.000 0.548 473 D N -0.960 119.426 120.400 -0.025 0.000 2.419 473 D HA 0.614 5.253 4.640 -0.001 0.000 0.234 473 D C 0.821 177.163 176.300 0.070 0.000 1.014 473 D CA 0.944 54.963 54.000 0.033 0.000 0.919 473 D CB 1.914 42.715 40.800 0.001 0.000 1.366 473 D HN 0.878 nan 8.370 nan 0.000 0.490 474 G N 1.410 110.256 108.800 0.076 0.000 2.496 474 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.243 474 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.243 474 G C 0.057 175.021 174.900 0.107 0.000 1.176 474 G CA -0.369 44.778 45.100 0.078 0.000 0.940 474 G HN 0.590 nan 8.290 nan 0.000 0.573 475 N N 0.511 119.277 118.700 0.110 0.000 2.327 475 N HA 0.189 4.928 4.740 -0.001 0.000 0.231 475 N C -0.326 175.271 175.510 0.145 0.000 1.130 475 N CA -0.045 53.066 53.050 0.102 0.000 0.845 475 N CB 0.353 38.881 38.487 0.069 0.000 1.073 475 N HN 0.443 nan 8.380 nan 0.000 0.496 476 Y N 1.127 121.458 120.300 0.052 0.000 2.365 476 Y HA 0.428 4.977 4.550 -0.001 0.000 0.340 476 Y C 0.444 176.411 175.900 0.112 0.000 1.016 476 Y CA -0.215 57.931 58.100 0.075 0.000 1.196 476 Y CB 0.460 38.956 38.460 0.060 0.000 1.167 476 Y HN -0.005 nan 8.280 nan 0.000 0.509 477 G N 4.175 112.785 108.800 -0.316 0.000 2.870 477 G HA2 0.255 4.214 3.960 -0.001 0.000 0.299 477 G HA3 0.255 4.214 3.960 -0.001 0.000 0.299 477 G C -2.428 172.377 174.900 -0.158 0.000 1.324 477 G CA -0.897 44.090 45.100 -0.188 0.000 0.808 477 G HN 0.517 nan 8.290 nan 0.000 0.535 478 Y N 1.279 121.458 120.300 -0.201 0.000 2.335 478 Y HA 0.577 5.127 4.550 -0.001 0.000 0.338 478 Y C -0.238 175.517 175.900 -0.242 0.000 0.977 478 Y CA -1.231 56.668 58.100 -0.334 0.000 1.114 478 Y CB 1.619 39.870 38.460 -0.349 0.000 1.182 478 Y HN 0.413 nan 8.280 nan 0.000 0.463 479 N N 4.596 122.812 118.700 -0.806 0.000 2.437 479 N HA 0.229 4.969 4.740 -0.001 0.000 0.243 479 N C 0.290 175.276 175.510 -0.874 0.000 1.041 479 N CA 0.509 53.193 53.050 -0.609 0.000 0.940 479 N CB 1.553 39.796 38.487 -0.407 0.000 1.133 479 N HN 0.914 nan 8.380 nan 0.000 0.506 480 A N 3.709 126.262 122.820 -0.444 0.000 2.014 480 A HA 0.046 4.365 4.320 -0.001 0.000 0.218 480 A C 1.987 179.480 177.584 -0.152 0.000 1.163 480 A CA 1.413 53.340 52.037 -0.184 0.000 0.652 480 A CB -0.413 18.622 19.000 0.057 0.000 0.808 480 A HN 0.699 nan 8.150 nan 0.000 0.449 481 A N -0.198 122.526 122.820 -0.159 0.000 1.898 481 A HA -0.061 4.258 4.320 -0.001 0.000 0.216 481 A C 2.288 179.799 177.584 -0.121 0.000 1.181 481 A CA 2.301 54.273 52.037 -0.109 0.000 0.620 481 A CB -0.927 18.019 19.000 -0.089 0.000 0.819 481 A HN 0.730 nan 8.150 nan 0.000 0.442 482 T N -3.880 110.565 114.554 -0.181 0.000 3.040 482 T HA 0.271 4.620 4.350 -0.001 0.000 0.250 482 T C 0.297 174.886 174.700 -0.185 0.000 1.058 482 T CA 0.655 62.662 62.100 -0.155 0.000 0.988 482 T CB -0.177 68.606 68.868 -0.142 0.000 0.993 482 T HN 0.570 nan 8.240 nan 0.000 0.519 483 E N 1.051 121.071 120.200 -0.300 0.000 2.586 483 E HA -0.142 4.207 4.350 -0.001 0.000 0.259 483 E C -0.730 175.675 176.600 -0.325 0.000 1.107 483 E CA 0.538 56.762 56.400 -0.293 0.000 0.754 483 E CB -0.991 28.684 29.700 -0.041 0.000 1.335 483 E HN 0.642 nan 8.360 nan 0.000 0.411 484 E N -0.221 119.699 120.200 -0.467 0.000 2.212 484 E HA 0.357 4.706 4.350 -0.001 0.000 0.268 484 E C -0.463 175.892 176.600 -0.408 0.000 0.902 484 E CA -0.626 55.606 56.400 -0.280 0.000 0.779 484 E CB 1.061 30.677 29.700 -0.141 0.000 1.172 484 E HN 0.052 nan 8.360 nan 0.000 0.409 485 Y N 0.156 120.404 120.300 -0.086 0.000 2.326 485 Y HA 0.568 5.117 4.550 -0.001 0.000 0.324 485 Y C 1.229 177.079 175.900 -0.083 0.000 1.291 485 Y CA 0.577 58.607 58.100 -0.116 0.000 1.348 485 Y CB 1.585 40.035 38.460 -0.018 0.000 1.294 485 Y HN 0.694 nan 8.280 nan 0.000 0.525 486 G N 0.578 109.394 108.800 0.027 0.000 2.356 486 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.288 486 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.288 486 G C -1.817 173.134 174.900 0.084 0.000 1.302 486 G CA -1.253 43.923 45.100 0.126 0.000 0.887 486 G HN 0.541 nan 8.290 nan 0.000 0.521 487 N N 0.911 119.686 118.700 0.124 0.000 2.452 487 N HA 0.085 4.824 4.740 -0.001 0.000 0.266 487 N C 1.740 177.270 175.510 0.034 0.000 1.209 487 N CA -0.300 52.807 53.050 0.095 0.000 0.929 487 N CB 0.714 39.253 38.487 0.087 0.000 1.063 487 N HN 0.396 nan 8.380 nan 0.000 0.472 488 M N 3.685 123.298 119.600 0.022 0.000 2.132 488 M HA -0.120 4.360 4.480 -0.001 0.000 0.263 488 M C 1.731 178.032 176.300 0.002 0.000 1.065 488 M CA 0.946 56.244 55.300 -0.004 0.000 1.122 488 M CB -0.643 31.955 32.600 -0.003 0.000 1.365 488 M HN 0.526 nan 8.290 nan 0.000 0.411 489 I N 0.787 121.367 120.570 0.016 0.000 2.208 489 I HA -0.270 3.899 4.170 -0.001 0.000 0.245 489 I C 1.819 177.942 176.117 0.010 0.000 1.097 489 I CA 1.500 62.808 61.300 0.013 0.000 1.363 489 I CB -1.643 36.369 38.000 0.020 0.000 1.051 489 I HN 0.248 nan 8.210 nan 0.000 0.413 490 D N 0.337 120.746 120.400 0.015 0.000 2.219 490 D HA -0.115 4.524 4.640 -0.001 0.000 0.205 490 D C 2.187 178.488 176.300 0.002 0.000 0.970 490 D CA 0.982 54.989 54.000 0.012 0.000 0.851 490 D CB -0.071 40.742 40.800 0.021 0.000 0.943 490 D HN 0.344 nan 8.370 nan 0.000 0.488 491 M N -0.870 118.726 119.600 -0.006 0.000 2.561 491 M HA 0.136 4.615 4.480 -0.001 0.000 0.238 491 M C 1.092 177.378 176.300 -0.024 0.000 1.131 491 M CA 0.380 55.667 55.300 -0.022 0.000 1.046 491 M CB 0.701 33.277 32.600 -0.041 0.000 1.532 491 M HN 0.091 nan 8.290 nan 0.000 0.497 492 G N 1.727 110.519 108.800 -0.014 0.000 2.162 492 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.260 492 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.260 492 G C 0.116 175.007 174.900 -0.016 0.000 0.976 492 G CA -0.217 44.875 45.100 -0.013 0.000 0.655 492 G HN 0.479 nan 8.290 nan 0.000 0.533 493 I N 1.489 122.046 120.570 -0.021 0.000 2.308 493 I HA 0.497 4.667 4.170 -0.001 0.000 0.293 493 I C 0.260 176.371 176.117 -0.010 0.000 1.078 493 I CA -0.564 60.722 61.300 -0.022 0.000 1.292 493 I CB 0.391 38.369 38.000 -0.038 0.000 1.423 493 I HN 0.257 nan 8.210 nan 0.000 0.493 494 L N 4.049 125.270 121.223 -0.004 0.000 2.466 494 L HA 0.708 5.048 4.340 -0.001 0.000 0.258 494 L C -1.408 175.466 176.870 0.006 0.000 0.973 494 L CA -0.827 54.015 54.840 0.003 0.000 0.826 494 L CB 1.648 43.710 42.059 0.006 0.000 1.372 494 L HN 0.102 nan 8.230 nan 0.000 0.409 495 D N 1.146 121.553 120.400 0.011 0.000 2.375 495 D HA 0.480 5.120 4.640 -0.001 0.000 0.247 495 D C -2.700 173.611 176.300 0.017 0.000 1.061 495 D CA -1.276 52.733 54.000 0.014 0.000 0.834 495 D CB 2.298 43.107 40.800 0.015 0.000 1.247 495 D HN 0.373 nan 8.370 nan 0.000 0.489 496 P HA 0.029 nan 4.420 nan 0.000 0.264 496 P C 0.911 178.225 177.300 0.024 0.000 1.193 496 P CA 0.065 63.178 63.100 0.022 0.000 0.763 496 P CB 0.595 32.311 31.700 0.027 0.000 0.810 497 T N 2.606 117.173 114.554 0.023 0.000 2.699 497 T HA -0.229 4.121 4.350 -0.001 0.000 0.268 497 T C 1.623 176.340 174.700 0.029 0.000 1.036 497 T CA 1.370 63.484 62.100 0.024 0.000 1.147 497 T CB -0.314 68.566 68.868 0.020 0.000 0.862 497 T HN 0.495 nan 8.240 nan 0.000 0.446 498 K N 0.527 120.945 120.400 0.031 0.000 2.063 498 K HA -0.109 4.210 4.320 -0.001 0.000 0.208 498 K C 2.383 179.013 176.600 0.050 0.000 1.048 498 K CA 1.363 57.674 56.287 0.040 0.000 0.928 498 K CB -0.485 32.039 32.500 0.039 0.000 0.713 498 K HN 0.243 nan 8.250 nan 0.000 0.442 499 V N 0.772 120.713 119.914 0.045 0.000 2.427 499 V HA -0.187 3.932 4.120 -0.001 0.000 0.248 499 V C 1.640 177.763 176.094 0.048 0.000 1.051 499 V CA 2.510 64.838 62.300 0.046 0.000 1.048 499 V CB -0.366 31.477 31.823 0.034 0.000 0.666 499 V HN 0.459 nan 8.190 nan 0.000 0.456 500 T N 0.088 114.667 114.554 0.040 0.000 2.904 500 T HA -0.107 4.242 4.350 -0.001 0.000 0.267 500 T C 1.952 176.679 174.700 0.045 0.000 1.059 500 T CA 1.547 63.670 62.100 0.039 0.000 1.137 500 T CB -0.303 68.584 68.868 0.030 0.000 0.879 500 T HN 0.515 nan 8.240 nan 0.000 0.467 501 R N 1.028 121.555 120.500 0.044 0.000 2.075 501 R HA -0.060 4.279 4.340 -0.001 0.000 0.232 501 R C 2.513 178.852 176.300 0.064 0.000 1.126 501 R CA 1.527 57.651 56.100 0.041 0.000 0.963 501 R CB -0.296 30.023 30.300 0.032 0.000 0.858 501 R HN 0.230 nan 8.270 nan 0.000 0.435 502 S N 0.505 116.268 115.700 0.105 0.000 2.356 502 S HA -0.109 4.361 4.470 -0.001 0.000 0.223 502 S C 1.994 176.739 174.600 0.243 0.000 1.032 502 S CA 1.162 59.492 58.200 0.217 0.000 1.005 502 S CB -0.215 63.118 63.200 0.221 0.000 0.867 502 S HN 0.562 nan 8.310 nan 0.000 0.449 503 A N 1.040 123.941 122.820 0.134 0.000 1.940 503 A HA -0.077 4.242 4.320 -0.001 0.000 0.219 503 A C 2.129 179.774 177.584 0.101 0.000 1.176 503 A CA 1.431 53.530 52.037 0.104 0.000 0.631 503 A CB -0.597 18.438 19.000 0.058 0.000 0.814 503 A HN 0.422 nan 8.150 nan 0.000 0.446 504 L N -0.718 120.551 121.223 0.076 0.000 2.068 504 L HA -0.078 4.262 4.340 -0.001 0.000 0.204 504 L C 2.486 179.381 176.870 0.042 0.000 1.076 504 L CA 2.063 56.934 54.840 0.050 0.000 0.753 504 L CB -0.661 41.417 42.059 0.031 0.000 0.910 504 L HN 0.466 nan 8.230 nan 0.000 0.439 505 Q N -1.602 118.211 119.800 0.022 0.000 2.050 505 Q HA -0.238 4.101 4.340 -0.001 0.000 0.202 505 Q C 2.182 178.138 176.000 -0.073 0.000 0.980 505 Q CA 2.292 58.058 55.803 -0.061 0.000 0.840 505 Q CB -0.328 28.322 28.738 -0.148 0.000 0.898 505 Q HN 0.516 nan 8.270 nan 0.000 0.424 506 Y N -0.066 120.236 120.300 0.005 0.000 2.181 506 Y HA -0.205 4.345 4.550 -0.001 0.000 0.288 506 Y C 2.361 178.263 175.900 0.004 0.000 1.146 506 Y CA 1.173 59.276 58.100 0.004 0.000 1.164 506 Y CB -0.462 37.999 38.460 0.003 0.000 0.982 506 Y HN 0.151 nan 8.280 nan 0.000 0.515 507 A N -0.232 122.684 122.820 0.159 0.000 1.972 507 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 507 A C 2.370 179.988 177.584 0.057 0.000 1.169 507 A CA 1.744 53.835 52.037 0.091 0.000 0.635 507 A CB -1.089 17.951 19.000 0.067 0.000 0.810 507 A HN 0.409 nan 8.150 nan 0.000 0.446 508 A N -1.126 121.718 122.820 0.039 0.000 1.930 508 A HA 0.013 4.333 4.320 -0.001 0.000 0.215 508 A C 2.415 180.006 177.584 0.012 0.000 1.176 508 A CA 1.769 53.817 52.037 0.017 0.000 0.632 508 A CB -0.834 18.167 19.000 0.002 0.000 0.819 508 A HN 0.516 nan 8.150 nan 0.000 0.445 509 S N -0.726 114.977 115.700 0.005 0.000 2.359 509 S HA -0.148 4.321 4.470 -0.001 0.000 0.224 509 S C 1.966 176.581 174.600 0.025 0.000 1.035 509 S CA 1.791 59.990 58.200 -0.002 0.000 1.018 509 S CB -0.482 62.700 63.200 -0.029 0.000 0.876 509 S HN 0.428 nan 8.310 nan 0.000 0.448 510 V N 1.561 121.504 119.914 0.049 0.000 2.379 510 V HA 0.027 4.147 4.120 -0.001 0.000 0.245 510 V C 2.628 178.742 176.094 0.033 0.000 1.044 510 V CA 1.914 64.242 62.300 0.047 0.000 1.036 510 V CB -1.033 30.825 31.823 0.058 0.000 0.664 510 V HN 0.578 nan 8.190 nan 0.000 0.453 511 A N 0.065 122.903 122.820 0.031 0.000 1.940 511 A HA -0.101 4.218 4.320 -0.001 0.000 0.219 511 A C 2.349 179.945 177.584 0.019 0.000 1.176 511 A CA 2.044 54.095 52.037 0.024 0.000 0.631 511 A CB -1.430 17.583 19.000 0.022 0.000 0.814 511 A HN 0.657 nan 8.150 nan 0.000 0.446 512 G N -0.225 108.585 108.800 0.016 0.000 2.440 512 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.218 512 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.218 512 G C 1.550 176.459 174.900 0.015 0.000 1.154 512 G CA 1.090 46.197 45.100 0.012 0.000 0.767 512 G HN 0.448 nan 8.290 nan 0.000 0.552 513 L N -0.396 120.837 121.223 0.018 0.000 2.093 513 L HA 0.062 4.401 4.340 -0.001 0.000 0.208 513 L C 3.028 179.912 176.870 0.022 0.000 1.085 513 L CA 0.775 55.627 54.840 0.020 0.000 0.755 513 L CB -0.229 41.843 42.059 0.022 0.000 0.904 513 L HN 0.214 nan 8.230 nan 0.000 0.435 514 M N -0.896 118.717 119.600 0.023 0.000 2.349 514 M HA -0.129 4.350 4.480 -0.001 0.000 0.266 514 M C 2.169 178.483 176.300 0.023 0.000 1.076 514 M CA 1.518 56.832 55.300 0.024 0.000 1.126 514 M CB -0.034 32.581 32.600 0.025 0.000 1.392 514 M HN 0.206 nan 8.290 nan 0.000 0.440 515 I N -0.163 120.419 120.570 0.020 0.000 2.439 515 I HA -0.191 3.978 4.170 -0.001 0.000 0.251 515 I C 1.812 177.941 176.117 0.019 0.000 1.139 515 I CA 1.240 62.551 61.300 0.018 0.000 1.438 515 I CB -0.180 37.829 38.000 0.015 0.000 1.085 515 I HN 0.329 nan 8.210 nan 0.000 0.427 516 T N -2.550 112.016 114.554 0.020 0.000 3.272 516 T HA 0.104 4.453 4.350 -0.001 0.000 0.250 516 T C 0.618 175.335 174.700 0.028 0.000 1.082 516 T CA -0.175 61.938 62.100 0.022 0.000 0.968 516 T CB -0.751 68.129 68.868 0.019 0.000 1.015 516 T HN -0.004 nan 8.240 nan 0.000 0.563 517 T N 2.370 116.941 114.554 0.029 0.000 2.780 517 T HA 0.293 4.643 4.350 -0.001 0.000 0.294 517 T C 0.618 175.343 174.700 0.042 0.000 0.949 517 T CA -0.545 61.575 62.100 0.034 0.000 1.074 517 T CB 1.599 70.487 68.868 0.032 0.000 0.910 517 T HN 0.126 nan 8.240 nan 0.000 0.501 518 E N 0.464 120.697 120.200 0.056 0.000 2.421 518 E HA 0.156 4.506 4.350 -0.001 0.000 0.209 518 E C 0.090 176.753 176.600 0.105 0.000 0.871 518 E CA 0.149 56.600 56.400 0.085 0.000 1.064 518 E CB 0.885 30.646 29.700 0.101 0.000 1.075 518 E HN 0.575 nan 8.360 nan 0.000 0.513 519 C N 1.059 120.396 119.300 0.061 0.000 2.609 519 C HA 0.698 5.158 4.460 -0.001 0.000 0.313 519 C C -1.013 173.949 174.990 -0.047 0.000 1.175 519 C CA -0.520 58.476 59.018 -0.037 0.000 1.434 519 C CB 0.188 27.941 27.740 0.021 0.000 2.005 519 C HN 0.154 nan 8.230 nan 0.000 0.471 520 M N 5.339 124.893 119.600 -0.076 0.000 2.326 520 M HA 0.558 5.037 4.480 -0.001 0.000 0.306 520 M C -1.100 175.255 176.300 0.091 0.000 1.054 520 M CA -0.508 54.836 55.300 0.073 0.000 0.922 520 M CB 2.107 34.864 32.600 0.261 0.000 1.632 520 M HN 0.376 nan 8.290 nan 0.000 0.436 521 V N 1.790 121.710 119.914 0.009 0.000 2.407 521 V HA 0.654 4.774 4.120 -0.001 0.000 0.291 521 V C -0.296 175.721 176.094 -0.130 0.000 1.018 521 V CA -0.390 61.885 62.300 -0.042 0.000 0.842 521 V CB 1.761 33.560 31.823 -0.039 0.000 0.996 521 V HN 0.938 nan 8.190 nan 0.000 0.426 522 T N 2.183 116.596 114.554 -0.234 0.000 2.838 522 T HA 0.452 4.801 4.350 -0.001 0.000 0.292 522 T C -1.119 173.449 174.700 -0.219 0.000 1.113 522 T CA -0.544 61.370 62.100 -0.309 0.000 1.008 522 T CB 1.886 70.393 68.868 -0.602 0.000 1.259 522 T HN 0.611 nan 8.240 nan 0.000 0.520 523 D N 1.427 121.719 120.400 -0.180 0.000 2.382 523 D HA 0.306 4.945 4.640 -0.001 0.000 0.240 523 D C -0.133 176.103 176.300 -0.107 0.000 1.146 523 D CA -0.048 53.884 54.000 -0.113 0.000 0.897 523 D CB 0.495 41.244 40.800 -0.085 0.000 1.197 523 D HN 0.333 nan 8.370 nan 0.000 0.432 524 L N 3.670 124.859 121.223 -0.056 0.000 2.367 524 L HA 0.285 4.625 4.340 -0.001 0.000 0.275 524 L C -1.610 175.246 176.870 -0.024 0.000 1.129 524 L CA -0.950 53.874 54.840 -0.027 0.000 0.839 524 L CB 0.186 42.241 42.059 -0.005 0.000 1.133 524 L HN 0.374 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 525 P CB 0.000 31.706 31.700 0.011 0.000 0.726