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 2eu1_1_L 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 RQIVLNCGEK 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 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 1.792 124.610 122.820 -0.004 0.000 2.524 3 A HA 0.512 4.832 4.320 0.000 0.000 0.250 3 A C 0.318 177.898 177.584 -0.006 0.000 1.078 3 A CA 0.371 52.409 52.037 0.001 0.000 0.761 3 A CB -0.229 18.774 19.000 0.005 0.000 1.012 3 A HN 0.586 nan 8.150 nan 0.000 0.500 4 K N 1.620 122.019 120.400 -0.001 0.000 2.168 4 K HA 0.453 4.773 4.320 0.000 0.000 0.239 4 K C -0.934 175.673 176.600 0.012 0.000 0.999 4 K CA -0.693 55.586 56.287 -0.012 0.000 0.900 4 K CB 1.149 33.641 32.500 -0.013 0.000 1.111 4 K HN 0.711 nan 8.250 nan 0.000 0.452 5 D N 0.683 121.089 120.400 0.009 0.000 2.391 5 D HA 0.345 4.985 4.640 0.000 0.000 0.245 5 D C -1.389 175.009 176.300 0.163 0.000 1.069 5 D CA -0.614 53.441 54.000 0.092 0.000 0.831 5 D CB 1.384 42.249 40.800 0.108 0.000 1.204 5 D HN 0.039 nan 8.370 nan 0.000 0.503 6 V N 4.587 124.586 119.914 0.141 0.000 2.444 6 V HA 0.390 4.511 4.120 0.000 0.000 0.294 6 V C 0.203 176.242 176.094 -0.093 0.000 1.022 6 V CA -0.796 61.517 62.300 0.021 0.000 0.850 6 V CB 1.704 33.488 31.823 -0.066 0.000 0.992 6 V HN 0.372 nan 8.190 nan 0.000 0.426 7 K N 3.685 123.939 120.400 -0.242 0.000 2.156 7 K HA 0.717 5.037 4.320 0.000 0.000 0.254 7 K C -1.450 174.836 176.600 -0.523 0.000 0.950 7 K CA -0.496 55.568 56.287 -0.372 0.000 0.849 7 K CB 2.118 34.194 32.500 -0.707 0.000 1.100 7 K HN 0.423 nan 8.250 nan 0.000 0.434 8 F N -0.028 119.868 119.950 -0.090 0.000 2.561 8 F HA 0.358 4.885 4.527 0.000 0.000 0.321 8 F C 1.163 176.927 175.800 -0.060 0.000 1.065 8 F CA 0.041 58.008 58.000 -0.054 0.000 0.934 8 F CB 1.693 40.675 39.000 -0.030 0.000 1.215 8 F HN 0.838 nan 8.300 nan 0.000 0.471 9 G N 2.478 111.393 108.800 0.190 0.000 2.549 9 G HA2 -0.440 3.520 3.960 0.000 0.000 0.338 9 G HA3 -0.440 3.520 3.960 0.000 0.000 0.338 9 G C 1.284 176.199 174.900 0.026 0.000 1.342 9 G CA 0.671 45.826 45.100 0.091 0.000 0.935 9 G HN 0.852 nan 8.290 nan 0.000 0.534 10 N N 0.056 118.766 118.700 0.017 0.000 2.171 10 N HA -0.295 4.445 4.740 0.000 0.000 0.200 10 N C 1.752 177.246 175.510 -0.027 0.000 0.991 10 N CA 2.780 55.828 53.050 -0.004 0.000 0.906 10 N CB -0.401 38.086 38.487 -0.001 0.000 1.060 10 N HN 0.642 nan 8.380 nan 0.000 0.510 11 D N 0.046 120.428 120.400 -0.031 0.000 2.092 11 D HA -0.081 4.559 4.640 0.000 0.000 0.193 11 D C 1.768 177.985 176.300 -0.139 0.000 0.994 11 D CA 1.838 55.794 54.000 -0.072 0.000 0.828 11 D CB -0.558 40.205 40.800 -0.062 0.000 0.963 11 D HN 0.409 nan 8.370 nan 0.000 0.450 12 A N 0.196 122.918 122.820 -0.163 0.000 2.070 12 A HA -0.156 4.164 4.320 0.000 0.000 0.220 12 A C 2.292 179.792 177.584 -0.139 0.000 1.159 12 A CA 1.230 53.121 52.037 -0.242 0.000 0.656 12 A CB -0.347 18.524 19.000 -0.215 0.000 0.800 12 A HN 0.220 nan 8.150 nan 0.000 0.453 13 R N -0.636 119.817 120.500 -0.077 0.000 2.057 13 R HA -0.048 4.292 4.340 0.000 0.000 0.224 13 R C 2.185 178.464 176.300 -0.035 0.000 1.136 13 R CA 1.346 57.422 56.100 -0.040 0.000 0.968 13 R CB -0.723 29.565 30.300 -0.020 0.000 0.863 13 R HN 0.546 nan 8.270 nan 0.000 0.433 14 V N 0.280 120.170 119.914 -0.040 0.000 2.660 14 V HA -0.224 3.896 4.120 0.000 0.000 0.257 14 V C 1.837 177.914 176.094 -0.029 0.000 1.088 14 V CA 1.631 63.914 62.300 -0.029 0.000 1.106 14 V CB -0.472 31.332 31.823 -0.030 0.000 0.686 14 V HN 0.172 nan 8.190 nan 0.000 0.481 15 K N -0.236 120.134 120.400 -0.050 0.000 2.044 15 K HA 0.092 4.412 4.320 0.000 0.000 0.204 15 K C 2.249 178.858 176.600 0.015 0.000 1.049 15 K CA 1.721 57.992 56.287 -0.026 0.000 0.945 15 K CB -0.294 32.159 32.500 -0.078 0.000 0.724 15 K HN 0.497 nan 8.250 nan 0.000 0.440 16 M N 0.711 120.318 119.600 0.012 0.000 2.149 16 M HA -0.207 4.273 4.480 0.000 0.000 0.261 16 M C 2.267 178.578 176.300 0.019 0.000 1.064 16 M CA 1.204 56.521 55.300 0.029 0.000 1.102 16 M CB -0.366 32.248 32.600 0.023 0.000 1.369 16 M HN 0.069 nan 8.290 nan 0.000 0.408 17 L N 0.605 121.833 121.223 0.008 0.000 1.976 17 L HA -0.160 4.180 4.340 0.000 0.000 0.209 17 L C 2.366 179.241 176.870 0.008 0.000 1.071 17 L CA 1.918 56.762 54.840 0.007 0.000 0.746 17 L CB -0.683 41.376 42.059 0.001 0.000 0.890 17 L HN 0.146 nan 8.230 nan 0.000 0.432 18 R N -0.516 119.989 120.500 0.008 0.000 2.185 18 R HA -0.176 4.164 4.340 0.000 0.000 0.247 18 R C 2.050 178.358 176.300 0.014 0.000 1.159 18 R CA 1.119 57.225 56.100 0.010 0.000 0.988 18 R CB -0.836 29.470 30.300 0.010 0.000 0.871 18 R HN 0.657 nan 8.270 nan 0.000 0.458 19 G N -0.047 108.766 108.800 0.020 0.000 2.425 19 G HA2 -0.198 3.762 3.960 0.000 0.000 0.213 19 G HA3 -0.198 3.762 3.960 0.000 0.000 0.213 19 G C 1.258 176.166 174.900 0.014 0.000 1.201 19 G CA 0.380 45.493 45.100 0.022 0.000 0.799 19 G HN 0.235 nan 8.290 nan 0.000 0.534 20 V N 1.302 121.225 119.914 0.014 0.000 2.828 20 V HA -0.164 3.956 4.120 0.000 0.000 0.260 20 V C 2.279 178.377 176.094 0.007 0.000 1.101 20 V CA 2.148 64.454 62.300 0.010 0.000 1.123 20 V CB -0.515 31.315 31.823 0.011 0.000 0.704 20 V HN 0.292 nan 8.190 nan 0.000 0.493 21 N N -0.041 118.663 118.700 0.007 0.000 2.148 21 N HA -0.074 4.666 4.740 0.000 0.000 0.186 21 N C 1.798 177.310 175.510 0.003 0.000 1.031 21 N CA 1.703 54.756 53.050 0.004 0.000 0.848 21 N CB -0.406 38.083 38.487 0.004 0.000 1.005 21 N HN 0.417 nan 8.380 nan 0.000 0.427 22 V N 2.306 122.223 119.914 0.004 0.000 2.317 22 V HA -0.236 3.884 4.120 0.000 0.000 0.251 22 V C 2.420 178.514 176.094 -0.000 0.000 1.065 22 V CA 1.335 63.636 62.300 0.002 0.000 1.049 22 V CB -0.643 31.182 31.823 0.003 0.000 0.651 22 V HN 0.202 nan 8.190 nan 0.000 0.450 23 L N 0.892 122.115 121.223 0.000 0.000 1.925 23 L HA -0.068 4.272 4.340 0.000 0.000 0.215 23 L C 2.534 179.402 176.870 -0.003 0.000 1.082 23 L CA 2.558 57.397 54.840 -0.003 0.000 0.764 23 L CB -1.419 40.638 42.059 -0.002 0.000 0.887 23 L HN 0.201 nan 8.230 nan 0.000 0.432 24 A N -0.497 122.322 122.820 -0.001 0.000 1.896 24 A HA -0.328 3.992 4.320 0.000 0.000 0.220 24 A C 2.025 179.609 177.584 -0.001 0.000 1.206 24 A CA 2.381 54.418 52.037 -0.000 0.000 0.647 24 A CB -1.359 17.643 19.000 0.002 0.000 0.828 24 A HN 0.708 nan 8.150 nan 0.000 0.455 25 D N -0.318 120.082 120.400 -0.001 0.000 2.190 25 D HA -0.088 4.552 4.640 0.000 0.000 0.200 25 D C 2.116 178.414 176.300 -0.003 0.000 0.992 25 D CA 1.514 55.513 54.000 -0.001 0.000 0.854 25 D CB -0.305 40.494 40.800 -0.001 0.000 0.936 25 D HN 0.515 nan 8.370 nan 0.000 0.462 26 A N 0.456 123.274 122.820 -0.003 0.000 1.878 26 A HA -0.044 4.276 4.320 0.000 0.000 0.213 26 A C 2.344 179.924 177.584 -0.006 0.000 1.192 26 A CA 0.659 52.693 52.037 -0.005 0.000 0.619 26 A CB -0.633 18.363 19.000 -0.006 0.000 0.837 26 A HN 0.162 nan 8.150 nan 0.000 0.446 27 V N 1.242 121.153 119.914 -0.006 0.000 2.667 27 V HA -0.182 3.938 4.120 0.000 0.000 0.252 27 V C 2.382 178.473 176.094 -0.006 0.000 1.065 27 V CA 2.409 64.705 62.300 -0.007 0.000 1.083 27 V CB -0.571 31.247 31.823 -0.009 0.000 0.692 27 V HN 0.805 nan 8.190 nan 0.000 0.468 28 K N 0.466 120.864 120.400 -0.004 0.000 2.305 28 K HA 0.013 4.333 4.320 0.000 0.000 0.199 28 K C 1.527 178.125 176.600 -0.003 0.000 1.047 28 K CA 1.405 57.691 56.287 -0.003 0.000 0.976 28 K CB -0.440 32.059 32.500 -0.001 0.000 0.765 28 K HN 0.472 nan 8.250 nan 0.000 0.474 29 V N 0.630 120.542 119.914 -0.003 0.000 3.559 29 V HA -0.017 4.103 4.120 0.000 0.000 0.272 29 V C 1.149 177.241 176.094 -0.003 0.000 1.235 29 V CA 1.263 63.561 62.300 -0.003 0.000 1.192 29 V CB -1.371 30.450 31.823 -0.003 0.000 0.930 29 V HN 0.507 nan 8.190 nan 0.000 0.492 30 T N -3.675 110.876 114.554 -0.004 0.000 3.010 30 T HA 0.324 4.674 4.350 0.000 0.000 0.257 30 T C 0.738 175.436 174.700 -0.005 0.000 1.020 30 T CA -0.361 61.736 62.100 -0.005 0.000 0.938 30 T CB 0.007 68.871 68.868 -0.007 0.000 1.049 30 T HN 0.245 nan 8.240 nan 0.000 0.522 31 L N 3.716 124.937 121.223 -0.003 0.000 3.022 31 L HA 0.272 4.612 4.340 0.000 0.000 0.303 31 L C 1.216 178.085 176.870 -0.003 0.000 1.081 31 L CA 1.241 56.080 54.840 -0.002 0.000 1.164 31 L CB -2.087 39.972 42.059 0.000 0.000 1.559 31 L HN 0.753 nan 8.230 nan 0.000 0.422 32 G N 5.545 114.342 108.800 -0.006 0.000 2.954 32 G HA2 -0.210 3.750 3.960 0.000 0.000 0.672 32 G HA3 -0.210 3.750 3.960 0.000 0.000 0.672 32 G C -1.079 173.814 174.900 -0.011 0.000 1.598 32 G CA -0.602 44.492 45.100 -0.009 0.000 1.063 32 G HN 0.551 nan 8.290 nan 0.000 0.584 33 P HA -0.303 nan 4.420 nan 0.000 0.230 33 P C 1.319 178.609 177.300 -0.016 0.000 0.833 33 P CA 2.814 65.901 63.100 -0.022 0.000 1.091 33 P CB -0.223 31.456 31.700 -0.035 0.000 0.598 34 K N -1.589 118.805 120.400 -0.010 0.000 2.358 34 K HA 0.247 4.567 4.320 0.000 0.000 0.200 34 K C 1.210 177.808 176.600 -0.003 0.000 1.030 34 K CA 0.494 56.777 56.287 -0.006 0.000 1.097 34 K CB 0.077 32.577 32.500 0.000 0.000 0.862 34 K HN 0.262 nan 8.250 nan 0.000 0.534 35 G N 2.427 111.224 108.800 -0.004 0.000 2.614 35 G HA2 -0.109 3.851 3.960 0.000 0.000 0.229 35 G HA3 -0.109 3.851 3.960 0.000 0.000 0.229 35 G C 0.200 175.097 174.900 -0.004 0.000 1.232 35 G CA -0.130 44.968 45.100 -0.004 0.000 0.857 35 G HN 0.079 nan 8.290 nan 0.000 0.560 36 R N 0.941 121.439 120.500 -0.003 0.000 2.549 36 R HA 0.267 4.607 4.340 0.000 0.000 0.259 36 R C 0.171 176.468 176.300 -0.005 0.000 1.095 36 R CA -0.871 55.227 56.100 -0.004 0.000 1.148 36 R CB 0.197 30.495 30.300 -0.003 0.000 1.181 36 R HN 0.660 nan 8.270 nan 0.000 0.571 37 N N -1.035 117.662 118.700 -0.005 0.000 2.495 37 N HA 0.415 5.155 4.740 0.000 0.000 0.280 37 N C -1.033 174.473 175.510 -0.006 0.000 1.168 37 N CA -0.534 52.513 53.050 -0.005 0.000 0.978 37 N CB 1.245 39.729 38.487 -0.005 0.000 1.191 37 N HN 0.096 nan 8.380 nan 0.000 0.497 38 V N 1.234 121.144 119.914 -0.006 0.000 2.525 38 V HA 0.277 4.397 4.120 0.000 0.000 0.299 38 V C -0.507 175.583 176.094 -0.007 0.000 1.034 38 V CA -0.896 61.399 62.300 -0.007 0.000 0.863 38 V CB 1.647 33.465 31.823 -0.008 0.000 0.999 38 V HN 0.342 nan 8.190 nan 0.000 0.423 39 V N 6.339 126.248 119.914 -0.008 0.000 2.461 39 V HA 0.372 4.492 4.120 0.000 0.000 0.275 39 V C -0.009 176.079 176.094 -0.010 0.000 1.047 39 V CA -0.226 62.069 62.300 -0.008 0.000 0.955 39 V CB 1.162 32.980 31.823 -0.009 0.000 0.988 39 V HN 0.642 nan 8.190 nan 0.000 0.471 40 L N 4.097 125.315 121.223 -0.009 0.000 2.295 40 L HA 0.443 4.784 4.340 0.000 0.000 0.281 40 L C -0.058 176.806 176.870 -0.011 0.000 1.018 40 L CA -0.578 54.256 54.840 -0.011 0.000 0.841 40 L CB 1.345 43.398 42.059 -0.010 0.000 1.218 40 L HN 0.579 nan 8.230 nan 0.000 0.424 41 D N 3.393 123.784 120.400 -0.016 0.000 2.443 41 D HA 0.026 4.666 4.640 0.000 0.000 0.239 41 D C -0.175 176.116 176.300 -0.016 0.000 1.136 41 D CA 0.445 54.433 54.000 -0.020 0.000 0.879 41 D CB 0.884 41.665 40.800 -0.031 0.000 1.195 41 D HN 0.372 nan 8.370 nan 0.000 0.443 42 K N 2.649 123.042 120.400 -0.012 0.000 2.575 42 K HA 0.212 4.532 4.320 0.000 0.000 0.236 42 K C 0.878 177.483 176.600 0.008 0.000 0.976 42 K CA -0.169 56.119 56.287 0.002 0.000 0.985 42 K CB 0.407 32.916 32.500 0.014 0.000 1.198 42 K HN 0.690 nan 8.250 nan 0.000 0.464 43 S N 3.127 118.825 115.700 -0.005 0.000 2.210 43 S HA -0.326 4.144 4.470 0.000 0.000 0.532 43 S C 0.372 174.943 174.600 -0.049 0.000 0.925 43 S CA 1.342 59.535 58.200 -0.012 0.000 3.340 43 S CB -1.061 62.179 63.200 0.065 0.000 2.327 43 S HN 0.502 nan 8.310 nan 0.000 0.565 44 F N 3.330 123.277 119.950 -0.004 0.000 2.467 44 F HA 0.696 5.223 4.527 0.000 0.000 0.336 44 F C 1.019 176.817 175.800 -0.004 0.000 1.123 44 F CA 0.707 58.705 58.000 -0.004 0.000 0.964 44 F CB 1.586 40.584 39.000 -0.004 0.000 1.136 44 F HN 1.026 nan 8.300 nan 0.000 0.447 45 G N 1.801 110.739 108.800 0.229 0.000 2.278 45 G HA2 0.439 4.399 3.960 0.000 0.000 0.265 45 G HA3 0.439 4.399 3.960 0.000 0.000 0.265 45 G C -1.942 173.000 174.900 0.070 0.000 1.329 45 G CA -0.406 44.773 45.100 0.132 0.000 1.017 45 G HN 0.905 nan 8.290 nan 0.000 0.472 46 A N 0.548 123.396 122.820 0.046 0.000 2.305 46 A HA 0.878 5.198 4.320 0.000 0.000 0.322 46 A C -1.736 175.857 177.584 0.016 0.000 1.187 46 A CA -0.976 51.076 52.037 0.025 0.000 0.825 46 A CB 0.288 19.301 19.000 0.022 0.000 1.164 46 A HN 0.612 nan 8.150 nan 0.000 0.498 47 P HA 0.109 nan 4.420 nan 0.000 0.271 47 P C -0.220 177.081 177.300 0.002 0.000 1.228 47 P CA 0.435 63.535 63.100 -0.000 0.000 0.797 47 P CB 0.318 32.014 31.700 -0.005 0.000 0.914 48 T N 1.542 116.095 114.554 -0.001 0.000 2.779 48 T HA 0.543 4.893 4.350 0.000 0.000 0.280 48 T C 0.044 174.742 174.700 -0.003 0.000 0.987 48 T CA -0.330 61.770 62.100 -0.000 0.000 0.966 48 T CB 0.271 69.138 68.868 -0.001 0.000 0.933 48 T HN 0.161 nan 8.240 nan 0.000 0.442 49 I N 2.818 123.387 120.570 -0.003 0.000 2.330 49 I HA 0.472 4.642 4.170 0.000 0.000 0.289 49 I C 0.372 176.486 176.117 -0.004 0.000 1.001 49 I CA -0.419 60.879 61.300 -0.004 0.000 1.193 49 I CB 1.639 39.637 38.000 -0.003 0.000 1.345 49 I HN 0.492 nan 8.210 nan 0.000 0.461 50 T N 4.745 119.296 114.554 -0.006 0.000 2.896 50 T HA 0.401 4.751 4.350 0.000 0.000 0.297 50 T C 0.056 174.752 174.700 -0.007 0.000 1.108 50 T CA -0.533 61.563 62.100 -0.006 0.000 1.004 50 T CB 1.760 70.623 68.868 -0.007 0.000 1.159 50 T HN 0.621 nan 8.240 nan 0.000 0.499 51 K N 1.449 121.845 120.400 -0.007 0.000 2.506 51 K HA 0.193 4.513 4.320 0.000 0.000 0.204 51 K C -0.764 175.830 176.600 -0.009 0.000 1.045 51 K CA -0.176 56.106 56.287 -0.008 0.000 1.074 51 K CB 0.538 33.033 32.500 -0.007 0.000 0.842 51 K HN 0.453 nan 8.250 nan 0.000 0.514 52 D N -0.022 120.372 120.400 -0.010 0.000 2.396 52 D HA 0.119 4.759 4.640 0.000 0.000 0.225 52 D C 1.220 177.512 176.300 -0.013 0.000 1.121 52 D CA -0.134 53.859 54.000 -0.012 0.000 0.853 52 D CB 1.198 41.990 40.800 -0.013 0.000 1.043 52 D HN 0.201 nan 8.370 nan 0.000 0.500 53 G N 2.372 111.164 108.800 -0.013 0.000 2.479 53 G HA2 -0.219 3.741 3.960 0.000 0.000 0.220 53 G HA3 -0.219 3.741 3.960 0.000 0.000 0.220 53 G C 1.425 176.314 174.900 -0.018 0.000 1.115 53 G CA 0.877 45.969 45.100 -0.014 0.000 0.757 53 G HN 0.489 nan 8.290 nan 0.000 0.560 54 V N 0.835 120.736 119.914 -0.021 0.000 2.427 54 V HA -0.152 3.968 4.120 0.000 0.000 0.248 54 V C 2.934 179.013 176.094 -0.025 0.000 1.051 54 V CA 2.127 64.411 62.300 -0.026 0.000 1.048 54 V CB -0.595 31.209 31.823 -0.031 0.000 0.666 54 V HN 0.332 nan 8.190 nan 0.000 0.456 55 S N -0.083 115.605 115.700 -0.021 0.000 2.395 55 S HA -0.079 4.391 4.470 0.000 0.000 0.225 55 S C 2.037 176.627 174.600 -0.018 0.000 1.027 55 S CA 1.099 59.287 58.200 -0.019 0.000 0.965 55 S CB -0.021 63.169 63.200 -0.016 0.000 0.812 55 S HN 0.363 nan 8.310 nan 0.000 0.482 56 V N 2.028 121.932 119.914 -0.016 0.000 2.490 56 V HA -0.184 3.936 4.120 0.000 0.000 0.250 56 V C 2.560 178.645 176.094 -0.016 0.000 1.061 56 V CA 1.686 63.977 62.300 -0.015 0.000 1.064 56 V CB -1.007 30.808 31.823 -0.012 0.000 0.670 56 V HN 0.537 nan 8.190 nan 0.000 0.461 57 A N -0.228 122.581 122.820 -0.019 0.000 1.897 57 A HA -0.192 4.128 4.320 0.000 0.000 0.215 57 A C 2.379 179.949 177.584 -0.023 0.000 1.181 57 A CA 1.574 53.599 52.037 -0.020 0.000 0.620 57 A CB -0.554 18.432 19.000 -0.023 0.000 0.821 57 A HN 0.452 nan 8.150 nan 0.000 0.443 58 R N -0.335 120.150 120.500 -0.025 0.000 2.139 58 R HA -0.177 4.163 4.340 0.000 0.000 0.243 58 R C 1.440 177.724 176.300 -0.026 0.000 1.145 58 R CA 1.752 57.835 56.100 -0.029 0.000 0.976 58 R CB -0.082 30.201 30.300 -0.030 0.000 0.866 58 R HN 0.477 nan 8.270 nan 0.000 0.449 59 E N 0.100 120.287 120.200 -0.022 0.000 2.250 59 E HA 0.007 4.357 4.350 0.000 0.000 0.192 59 E C 0.538 177.127 176.600 -0.017 0.000 0.986 59 E CA 0.035 56.423 56.400 -0.019 0.000 0.849 59 E CB 0.162 29.852 29.700 -0.017 0.000 0.797 59 E HN 0.218 nan 8.360 nan 0.000 0.482 60 I N 1.900 122.460 120.570 -0.016 0.000 2.752 60 I HA -0.002 4.168 4.170 0.000 0.000 0.287 60 I C 0.529 176.637 176.117 -0.014 0.000 1.188 60 I CA 0.674 61.965 61.300 -0.014 0.000 1.427 60 I CB 0.008 38.001 38.000 -0.012 0.000 1.365 60 I HN 0.054 nan 8.210 nan 0.000 0.585 61 E N 6.298 126.491 120.200 -0.013 0.000 2.782 61 E HA 0.244 4.594 4.350 0.000 0.000 0.372 61 E C -1.615 174.979 176.600 -0.011 0.000 0.944 61 E CA -0.400 55.992 56.400 -0.013 0.000 0.749 61 E CB 0.766 30.456 29.700 -0.017 0.000 1.453 61 E HN 0.441 nan 8.360 nan 0.000 0.402 62 L N 2.756 123.975 121.223 -0.007 0.000 2.475 62 L HA 0.293 4.633 4.340 0.000 0.000 0.253 62 L C 1.776 178.643 176.870 -0.006 0.000 1.198 62 L CA -0.070 54.769 54.840 -0.003 0.000 0.814 62 L CB 0.551 42.613 42.059 0.006 0.000 1.134 62 L HN 0.690 nan 8.230 nan 0.000 0.478 63 E N 0.304 120.503 120.200 -0.003 0.000 2.076 63 E HA -0.159 4.191 4.350 0.000 0.000 0.190 63 E C 0.557 177.155 176.600 -0.005 0.000 0.979 63 E CA 0.247 56.644 56.400 -0.006 0.000 0.807 63 E CB 0.229 29.927 29.700 -0.003 0.000 0.761 63 E HN 0.651 nan 8.360 nan 0.000 0.454 64 D N 1.137 121.545 120.400 0.014 0.000 2.389 64 D HA -0.075 4.565 4.640 0.000 0.000 0.263 64 D C 0.693 176.997 176.300 0.007 0.000 1.255 64 D CA 0.023 54.044 54.000 0.034 0.000 0.914 64 D CB 0.759 41.608 40.800 0.081 0.000 1.116 64 D HN 0.088 nan 8.370 nan 0.000 0.502 65 K N 3.680 124.036 120.400 -0.073 0.000 2.163 65 K HA -0.232 4.088 4.320 0.000 0.000 0.210 65 K C 1.771 178.238 176.600 -0.222 0.000 1.048 65 K CA 1.376 57.546 56.287 -0.195 0.000 0.928 65 K CB -0.510 31.782 32.500 -0.347 0.000 0.716 65 K HN 0.456 nan 8.250 nan 0.000 0.459 66 F N 1.535 121.472 119.950 -0.022 0.000 2.059 66 F HA -0.032 4.495 4.527 0.000 0.000 0.289 66 F C 2.623 178.410 175.800 -0.021 0.000 1.128 66 F CA 0.992 58.977 58.000 -0.026 0.000 1.181 66 F CB -0.798 38.185 39.000 -0.028 0.000 1.012 66 F HN 0.048 nan 8.300 nan 0.000 0.473 67 E N 0.146 120.468 120.200 0.204 0.000 2.108 67 E HA -0.351 3.999 4.350 0.000 0.000 0.203 67 E C 1.900 178.536 176.600 0.059 0.000 1.022 67 E CA 1.777 58.237 56.400 0.100 0.000 0.823 67 E CB -0.476 29.267 29.700 0.070 0.000 0.744 67 E HN 0.317 nan 8.360 nan 0.000 0.456 68 N N 0.523 119.246 118.700 0.038 0.000 2.036 68 N HA -0.202 4.538 4.740 0.000 0.000 0.195 68 N C 1.783 177.298 175.510 0.009 0.000 1.037 68 N CA 1.736 54.791 53.050 0.009 0.000 0.855 68 N CB -0.104 38.373 38.487 -0.015 0.000 1.033 68 N HN 0.087 nan 8.380 nan 0.000 0.423 69 M N -0.611 118.996 119.600 0.012 0.000 2.106 69 M HA -0.115 4.365 4.480 0.000 0.000 0.259 69 M C 2.218 178.533 176.300 0.026 0.000 1.068 69 M CA 1.892 57.200 55.300 0.014 0.000 1.100 69 M CB -0.743 31.874 32.600 0.028 0.000 1.351 69 M HN 0.374 nan 8.290 nan 0.000 0.404 70 G N -0.286 108.540 108.800 0.043 0.000 2.418 70 G HA2 -0.127 3.833 3.960 0.000 0.000 0.217 70 G HA3 -0.127 3.833 3.960 0.000 0.000 0.217 70 G C 1.571 176.482 174.900 0.019 0.000 1.158 70 G CA 0.953 46.074 45.100 0.034 0.000 0.771 70 G HN 0.572 nan 8.290 nan 0.000 0.545 71 A N -0.616 122.214 122.820 0.016 0.000 2.119 71 A HA 0.116 4.436 4.320 0.000 0.000 0.216 71 A C 2.292 179.876 177.584 -0.001 0.000 1.152 71 A CA 1.224 53.265 52.037 0.006 0.000 0.708 71 A CB -0.098 18.905 19.000 0.005 0.000 0.805 71 A HN 0.301 nan 8.150 nan 0.000 0.460 72 Q N -0.926 118.873 119.800 -0.001 0.000 2.331 72 Q HA 0.109 4.449 4.340 0.000 0.000 0.203 72 Q C 1.917 177.912 176.000 -0.008 0.000 0.944 72 Q CA 0.818 56.616 55.803 -0.008 0.000 0.892 72 Q CB -0.146 28.585 28.738 -0.011 0.000 0.983 72 Q HN 0.760 nan 8.270 nan 0.000 0.482 73 M N -0.147 119.453 119.600 -0.000 0.000 2.134 73 M HA -0.093 4.387 4.480 0.000 0.000 0.262 73 M C 2.155 178.455 176.300 -0.000 0.000 1.076 73 M CA 1.120 56.421 55.300 0.002 0.000 1.143 73 M CB -0.262 32.345 32.600 0.011 0.000 1.346 73 M HN 0.083 nan 8.290 nan 0.000 0.421 74 V N -0.852 119.063 119.914 0.003 0.000 3.078 74 V HA -0.157 3.963 4.120 0.000 0.000 0.265 74 V C 1.797 177.884 176.094 -0.012 0.000 1.122 74 V CA 1.693 63.995 62.300 0.003 0.000 1.141 74 V CB -0.791 31.037 31.823 0.008 0.000 0.735 74 V HN 0.449 nan 8.190 nan 0.000 0.498 75 K N 0.136 120.526 120.400 -0.018 0.000 2.211 75 K HA -0.040 4.280 4.320 0.000 0.000 0.201 75 K C 2.218 178.791 176.600 -0.046 0.000 1.052 75 K CA 0.976 57.246 56.287 -0.029 0.000 0.973 75 K CB -0.087 32.398 32.500 -0.024 0.000 0.766 75 K HN 0.696 nan 8.250 nan 0.000 0.466 76 E N 0.720 120.895 120.200 -0.042 0.000 2.017 76 E HA -0.180 4.170 4.350 0.000 0.000 0.193 76 E C 1.969 178.513 176.600 -0.093 0.000 0.997 76 E CA 1.818 58.186 56.400 -0.055 0.000 0.804 76 E CB -0.063 29.616 29.700 -0.035 0.000 0.757 76 E HN 0.199 nan 8.360 nan 0.000 0.448 77 V N -0.049 119.816 119.914 -0.083 0.000 2.237 77 V HA -0.135 3.985 4.120 0.000 0.000 0.245 77 V C 2.461 178.419 176.094 -0.227 0.000 1.046 77 V CA 2.172 64.385 62.300 -0.144 0.000 1.007 77 V CB -1.328 30.486 31.823 -0.014 0.000 0.638 77 V HN 0.329 nan 8.190 nan 0.000 0.445 78 A N 0.111 122.866 122.820 -0.109 0.000 2.093 78 A HA -0.253 4.067 4.320 0.000 0.000 0.222 78 A C 2.562 180.062 177.584 -0.140 0.000 1.162 78 A CA 2.652 54.634 52.037 -0.092 0.000 0.655 78 A CB -1.090 17.886 19.000 -0.040 0.000 0.805 78 A HN 0.848 nan 8.150 nan 0.000 0.461 79 S N -0.314 115.290 115.700 -0.160 0.000 2.345 79 S HA -0.149 4.321 4.470 0.000 0.000 0.219 79 S C 1.906 176.373 174.600 -0.222 0.000 1.031 79 S CA 1.421 59.532 58.200 -0.149 0.000 0.984 79 S CB -0.339 62.792 63.200 -0.115 0.000 0.874 79 S HN 0.623 nan 8.310 nan 0.000 0.451 80 K N 1.087 121.274 120.400 -0.355 0.000 2.293 80 K HA -0.124 4.196 4.320 0.000 0.000 0.204 80 K C 2.145 178.454 176.600 -0.486 0.000 1.045 80 K CA 1.110 57.102 56.287 -0.492 0.000 0.933 80 K CB -0.362 31.633 32.500 -0.842 0.000 0.736 80 K HN 0.492 nan 8.250 nan 0.000 0.463 81 A N 1.591 124.170 122.820 -0.401 0.000 1.855 81 A HA -0.161 4.159 4.320 0.000 0.000 0.213 81 A C 1.930 179.485 177.584 -0.049 0.000 1.195 81 A CA 1.522 53.504 52.037 -0.092 0.000 0.610 81 A CB -0.553 18.453 19.000 0.010 0.000 0.837 81 A HN 0.267 nan 8.150 nan 0.000 0.444 82 N N 0.275 118.924 118.700 -0.084 0.000 2.272 82 N HA -0.134 4.606 4.740 0.000 0.000 0.185 82 N C 0.795 176.249 175.510 -0.093 0.000 1.014 82 N CA 1.535 54.538 53.050 -0.078 0.000 0.870 82 N CB -0.124 38.313 38.487 -0.082 0.000 0.975 82 N HN 0.423 nan 8.380 nan 0.000 0.433 83 D N -1.175 119.170 120.400 -0.090 0.000 2.348 83 D HA 0.093 4.733 4.640 0.000 0.000 0.211 83 D C 1.337 177.619 176.300 -0.030 0.000 0.998 83 D CA 0.399 54.355 54.000 -0.074 0.000 0.873 83 D CB 0.165 40.919 40.800 -0.076 0.000 0.925 83 D HN 0.372 nan 8.370 nan 0.000 0.524 84 A N 0.555 123.376 122.820 0.002 0.000 1.924 84 A HA 0.367 4.687 4.320 0.000 0.000 0.211 84 A C 1.921 179.536 177.584 0.052 0.000 1.198 84 A CA 1.134 53.206 52.037 0.058 0.000 0.657 84 A CB 0.222 19.308 19.000 0.143 0.000 0.852 84 A HN 0.163 nan 8.150 nan 0.000 0.454 85 A N -2.350 120.489 122.820 0.033 0.000 2.508 85 A HA 0.480 4.800 4.320 0.000 0.000 0.250 85 A C 1.399 178.981 177.584 -0.004 0.000 1.208 85 A CA 0.977 53.036 52.037 0.036 0.000 0.960 85 A CB -0.236 18.790 19.000 0.043 0.000 1.099 85 A HN 1.870 nan 8.150 nan 0.000 0.542 86 G N -0.491 108.260 108.800 -0.082 0.000 2.160 86 G HA2 -0.111 3.849 3.960 0.000 0.000 0.244 86 G HA3 -0.111 3.849 3.960 0.000 0.000 0.244 86 G C -0.274 174.566 174.900 -0.100 0.000 1.022 86 G CA 0.757 45.745 45.100 -0.187 0.000 0.741 86 G HN 0.973 nan 8.290 nan 0.000 0.508 87 D N -3.349 117.018 120.400 -0.055 0.000 2.972 87 D HA 0.544 5.184 4.640 0.000 0.000 0.294 87 D C 0.734 177.026 176.300 -0.012 0.000 1.211 87 D CA 1.127 55.108 54.000 -0.032 0.000 0.732 87 D CB -0.315 40.474 40.800 -0.017 0.000 1.257 87 D HN 1.513 nan 8.370 nan 0.000 0.435 88 G N -0.329 108.467 108.800 -0.006 0.000 2.131 88 G HA2 -0.232 3.728 3.960 0.000 0.000 0.201 88 G HA3 -0.232 3.728 3.960 0.000 0.000 0.201 88 G C 0.810 175.713 174.900 0.005 0.000 1.000 88 G CA 0.734 45.839 45.100 0.008 0.000 0.680 88 G HN 0.492 nan 8.290 nan 0.000 0.514 89 T N 0.495 115.041 114.554 -0.014 0.000 2.735 89 T HA -0.024 4.326 4.350 0.000 0.000 0.256 89 T C 2.567 177.260 174.700 -0.011 0.000 1.042 89 T CA 2.087 64.173 62.100 -0.022 0.000 1.147 89 T CB -0.455 68.391 68.868 -0.036 0.000 0.865 89 T HN 0.349 nan 8.240 nan 0.000 0.421 90 T N 2.243 116.790 114.554 -0.011 0.000 2.778 90 T HA -0.136 4.214 4.350 0.000 0.000 0.269 90 T C 2.136 176.837 174.700 0.001 0.000 1.050 90 T CA 1.694 63.790 62.100 -0.007 0.000 1.137 90 T CB -0.668 68.196 68.868 -0.007 0.000 0.860 90 T HN 0.429 nan 8.240 nan 0.000 0.468 91 T N 1.906 116.463 114.554 0.005 0.000 2.732 91 T HA 0.070 4.420 4.350 0.000 0.000 0.261 91 T C 2.497 177.209 174.700 0.019 0.000 1.040 91 T CA 1.011 63.118 62.100 0.012 0.000 1.145 91 T CB -0.614 68.263 68.868 0.016 0.000 0.866 91 T HN 0.433 nan 8.240 nan 0.000 0.427 92 A N 1.562 124.398 122.820 0.027 0.000 1.940 92 A HA -0.148 4.172 4.320 0.000 0.000 0.219 92 A C 2.519 180.120 177.584 0.029 0.000 1.176 92 A CA 2.133 54.195 52.037 0.042 0.000 0.631 92 A CB -1.321 17.714 19.000 0.058 0.000 0.814 92 A HN 0.501 nan 8.150 nan 0.000 0.446 93 T N -0.833 113.729 114.554 0.014 0.000 2.668 93 T HA -0.136 4.214 4.350 0.000 0.000 0.262 93 T C 1.858 176.565 174.700 0.010 0.000 1.045 93 T CA 1.498 63.603 62.100 0.008 0.000 1.152 93 T CB -0.730 68.137 68.868 -0.001 0.000 0.864 93 T HN 0.239 nan 8.240 nan 0.000 0.419 94 V N 1.155 121.074 119.914 0.008 0.000 2.594 94 V HA -0.060 4.060 4.120 0.000 0.000 0.253 94 V C 2.156 178.256 176.094 0.011 0.000 1.069 94 V CA 1.372 63.677 62.300 0.008 0.000 1.082 94 V CB -0.589 31.237 31.823 0.006 0.000 0.680 94 V HN 0.459 nan 8.190 nan 0.000 0.469 95 L N -0.351 120.881 121.223 0.016 0.000 2.072 95 L HA -0.022 4.318 4.340 0.000 0.000 0.205 95 L C 2.750 179.631 176.870 0.019 0.000 1.079 95 L CA 1.505 56.356 54.840 0.018 0.000 0.752 95 L CB -0.722 41.352 42.059 0.024 0.000 0.906 95 L HN 0.426 nan 8.230 nan 0.000 0.436 96 A N -0.585 122.248 122.820 0.022 0.000 1.902 96 A HA -0.291 4.029 4.320 0.000 0.000 0.217 96 A C 2.207 179.800 177.584 0.016 0.000 1.181 96 A CA 1.815 53.865 52.037 0.022 0.000 0.623 96 A CB -0.612 18.403 19.000 0.025 0.000 0.818 96 A HN 0.503 nan 8.150 nan 0.000 0.443 97 Q N -0.415 119.392 119.800 0.012 0.000 2.096 97 Q HA -0.183 4.157 4.340 0.000 0.000 0.204 97 Q C 2.168 178.173 176.000 0.008 0.000 0.982 97 Q CA 1.830 57.639 55.803 0.009 0.000 0.850 97 Q CB -0.360 28.382 28.738 0.007 0.000 0.901 97 Q HN 0.604 nan 8.270 nan 0.000 0.422 98 A N 0.925 123.751 122.820 0.009 0.000 1.858 98 A HA -0.169 4.151 4.320 0.000 0.000 0.216 98 A C 2.020 179.609 177.584 0.008 0.000 1.190 98 A CA 1.464 53.505 52.037 0.008 0.000 0.617 98 A CB -0.720 18.285 19.000 0.008 0.000 0.827 98 A HN 0.484 nan 8.150 nan 0.000 0.443 99 I N -0.248 120.328 120.570 0.010 0.000 2.099 99 I HA -0.286 3.884 4.170 0.000 0.000 0.239 99 I C 2.399 178.522 176.117 0.009 0.000 1.066 99 I CA 1.612 62.918 61.300 0.010 0.000 1.324 99 I CB -0.509 37.499 38.000 0.013 0.000 1.037 99 I HN 0.308 nan 8.210 nan 0.000 0.401 100 I N 0.454 121.031 120.570 0.011 0.000 2.151 100 I HA -0.335 3.835 4.170 0.000 0.000 0.243 100 I C 2.617 178.738 176.117 0.007 0.000 1.080 100 I CA 1.743 63.049 61.300 0.010 0.000 1.339 100 I CB -0.735 37.272 38.000 0.011 0.000 1.039 100 I HN 0.310 nan 8.210 nan 0.000 0.409 101 T N 0.333 114.891 114.554 0.006 0.000 2.580 101 T HA -0.196 4.154 4.350 0.000 0.000 0.265 101 T C 1.816 176.518 174.700 0.004 0.000 1.063 101 T CA 1.512 63.615 62.100 0.004 0.000 1.170 101 T CB -0.239 68.631 68.868 0.004 0.000 0.863 101 T HN 0.295 nan 8.240 nan 0.000 0.418 102 E N 0.613 120.815 120.200 0.004 0.000 2.153 102 E HA -0.035 4.315 4.350 0.000 0.000 0.194 102 E C 2.453 179.055 176.600 0.004 0.000 0.988 102 E CA 0.990 57.392 56.400 0.003 0.000 0.811 102 E CB -0.895 28.808 29.700 0.004 0.000 0.746 102 E HN 0.592 nan 8.360 nan 0.000 0.466 103 G N 1.302 110.105 108.800 0.005 0.000 2.433 103 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 103 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 103 G C 1.712 176.614 174.900 0.005 0.000 1.186 103 G CA 0.586 45.690 45.100 0.005 0.000 0.779 103 G HN 0.212 nan 8.290 nan 0.000 0.543 104 L N -0.148 121.078 121.223 0.004 0.000 2.141 104 L HA -0.014 4.326 4.340 0.000 0.000 0.209 104 L C 2.939 179.810 176.870 0.002 0.000 1.094 104 L CA 0.985 55.827 54.840 0.003 0.000 0.763 104 L CB -0.299 41.761 42.059 0.001 0.000 0.908 104 L HN 0.194 nan 8.230 nan 0.000 0.437 105 K N 0.313 120.714 120.400 0.001 0.000 2.026 105 K HA -0.153 4.167 4.320 0.000 0.000 0.208 105 K C 2.303 178.903 176.600 0.001 0.000 1.048 105 K CA 1.412 57.700 56.287 0.001 0.000 0.929 105 K CB -0.286 32.215 32.500 0.001 0.000 0.713 105 K HN 0.263 nan 8.250 nan 0.000 0.439 106 A N 1.090 123.911 122.820 0.002 0.000 1.917 106 A HA -0.169 4.151 4.320 0.000 0.000 0.219 106 A C 2.382 179.967 177.584 0.003 0.000 1.182 106 A CA 1.805 53.843 52.037 0.002 0.000 0.633 106 A CB -0.809 18.193 19.000 0.003 0.000 0.819 106 A HN 0.090 nan 8.150 nan 0.000 0.448 107 V N -0.239 119.677 119.914 0.003 0.000 2.237 107 V HA -0.233 3.887 4.120 0.000 0.000 0.245 107 V C 3.063 179.159 176.094 0.003 0.000 1.046 107 V CA 2.013 64.315 62.300 0.004 0.000 1.007 107 V CB -1.453 30.373 31.823 0.005 0.000 0.638 107 V HN 0.619 nan 8.190 nan 0.000 0.445 108 A N 0.214 123.035 122.820 0.001 0.000 1.978 108 A HA -0.126 4.194 4.320 0.000 0.000 0.220 108 A C 2.264 179.848 177.584 0.000 0.000 1.170 108 A CA 1.954 53.991 52.037 0.000 0.000 0.636 108 A CB -0.792 18.207 19.000 -0.001 0.000 0.810 108 A HN 0.655 nan 8.150 nan 0.000 0.448 109 A N -1.993 120.827 122.820 0.000 0.000 2.248 109 A HA 0.348 4.668 4.320 0.000 0.000 0.210 109 A C 1.910 179.494 177.584 0.000 0.000 1.174 109 A CA 1.430 53.468 52.037 0.000 0.000 0.750 109 A CB -0.985 18.015 19.000 0.000 0.000 0.780 109 A HN 1.907 nan 8.150 nan 0.000 0.478 110 G N -2.264 106.537 108.800 0.001 0.000 2.232 110 G HA2 -0.239 3.721 3.960 0.000 0.000 0.226 110 G HA3 -0.239 3.721 3.960 0.000 0.000 0.226 110 G C 0.331 175.232 174.900 0.002 0.000 0.996 110 G CA 0.141 45.242 45.100 0.001 0.000 0.626 110 G HN 0.380 nan 8.290 nan 0.000 0.509 111 M N 0.983 120.584 119.600 0.002 0.000 2.207 111 M HA 0.200 4.680 4.480 0.000 0.000 0.311 111 M C 0.865 177.168 176.300 0.004 0.000 1.127 111 M CA -0.219 55.082 55.300 0.003 0.000 1.181 111 M CB 0.200 32.802 32.600 0.003 0.000 1.409 111 M HN 0.289 nan 8.290 nan 0.000 0.461 112 N N 1.642 120.344 118.700 0.004 0.000 2.497 112 N HA 0.125 4.865 4.740 0.000 0.000 0.271 112 N C -2.312 173.202 175.510 0.006 0.000 1.142 112 N CA -1.313 51.740 53.050 0.005 0.000 0.965 112 N CB 1.359 39.849 38.487 0.004 0.000 1.077 112 N HN 0.230 nan 8.380 nan 0.000 0.462 113 P HA -0.009 nan 4.420 nan 0.000 0.212 113 P C 1.726 179.031 177.300 0.009 0.000 1.180 113 P CA 1.053 64.158 63.100 0.009 0.000 0.902 113 P CB 0.146 31.853 31.700 0.012 0.000 0.778 114 M N -0.326 119.280 119.600 0.009 0.000 2.413 114 M HA -0.190 4.290 4.480 0.000 0.000 0.258 114 M C 1.114 177.417 176.300 0.006 0.000 1.081 114 M CA 1.601 56.906 55.300 0.008 0.000 1.047 114 M CB -1.498 31.107 32.600 0.009 0.000 1.390 114 M HN 0.051 nan 8.290 nan 0.000 0.438 115 D N -0.447 119.956 120.400 0.006 0.000 2.269 115 D HA 0.067 4.707 4.640 0.000 0.000 0.220 115 D C 2.209 178.511 176.300 0.004 0.000 0.962 115 D CA 0.519 54.522 54.000 0.004 0.000 0.884 115 D CB -0.001 40.801 40.800 0.004 0.000 1.023 115 D HN 0.300 nan 8.370 nan 0.000 0.484 116 L N 1.316 122.542 121.223 0.005 0.000 2.089 116 L HA -0.237 4.103 4.340 0.000 0.000 0.213 116 L C 2.545 179.418 176.870 0.005 0.000 1.079 116 L CA 1.307 56.149 54.840 0.005 0.000 0.758 116 L CB -0.338 41.724 42.059 0.005 0.000 0.891 116 L HN 0.032 nan 8.230 nan 0.000 0.433 117 K N 0.410 120.813 120.400 0.005 0.000 2.001 117 K HA -0.227 4.093 4.320 0.000 0.000 0.208 117 K C 2.326 178.928 176.600 0.003 0.000 1.048 117 K CA 1.429 57.720 56.287 0.005 0.000 0.932 117 K CB -0.065 32.439 32.500 0.007 0.000 0.715 117 K HN 0.083 nan 8.250 nan 0.000 0.437 118 R N -0.201 120.300 120.500 0.003 0.000 2.120 118 R HA -0.094 4.246 4.340 0.000 0.000 0.234 118 R C 2.264 178.564 176.300 0.000 0.000 1.123 118 R CA 1.610 57.710 56.100 0.001 0.000 0.975 118 R CB -0.482 29.819 30.300 0.001 0.000 0.866 118 R HN 0.435 nan 8.270 nan 0.000 0.446 119 G N 0.395 109.196 108.800 0.001 0.000 2.422 119 G HA2 -0.206 3.754 3.960 0.000 0.000 0.218 119 G HA3 -0.206 3.754 3.960 0.000 0.000 0.218 119 G C 1.384 176.284 174.900 0.001 0.000 1.146 119 G CA 0.650 45.751 45.100 0.001 0.000 0.769 119 G HN 0.251 nan 8.290 nan 0.000 0.547 120 I N 0.709 121.280 120.570 0.001 0.000 2.233 120 I HA -0.074 4.097 4.170 0.000 0.000 0.243 120 I C 2.112 178.228 176.117 -0.002 0.000 1.093 120 I CA 0.915 62.216 61.300 0.001 0.000 1.380 120 I CB -0.166 37.836 38.000 0.003 0.000 1.067 120 I HN 0.022 nan 8.210 nan 0.000 0.413 121 D N 0.968 121.366 120.400 -0.004 0.000 2.221 121 D HA -0.218 4.422 4.640 0.000 0.000 0.204 121 D C 2.008 178.302 176.300 -0.009 0.000 0.982 121 D CA 1.213 55.208 54.000 -0.008 0.000 0.857 121 D CB -0.084 40.711 40.800 -0.008 0.000 0.934 121 D HN 0.320 nan 8.370 nan 0.000 0.475 122 K N 0.687 121.084 120.400 -0.005 0.000 2.007 122 K HA 0.013 4.333 4.320 0.000 0.000 0.206 122 K C 2.002 178.599 176.600 -0.005 0.000 1.047 122 K CA 1.024 57.308 56.287 -0.005 0.000 0.937 122 K CB -0.045 32.453 32.500 -0.003 0.000 0.718 122 K HN -0.037 nan 8.250 nan 0.000 0.438 123 A N 0.526 123.345 122.820 -0.003 0.000 2.131 123 A HA -0.085 4.235 4.320 0.000 0.000 0.220 123 A C 1.958 179.540 177.584 -0.003 0.000 1.158 123 A CA 1.424 53.461 52.037 -0.001 0.000 0.665 123 A CB -0.297 18.703 19.000 0.001 0.000 0.795 123 A HN 0.211 nan 8.150 nan 0.000 0.460 124 V N -2.034 117.876 119.914 -0.007 0.000 2.521 124 V HA -0.104 4.016 4.120 0.000 0.000 0.239 124 V C 2.532 178.617 176.094 -0.015 0.000 1.053 124 V CA 1.864 64.157 62.300 -0.012 0.000 1.073 124 V CB -0.893 30.920 31.823 -0.017 0.000 0.746 124 V HN 0.490 nan 8.190 nan 0.000 0.476 125 T N 0.867 115.411 114.554 -0.017 0.000 2.680 125 T HA -0.311 4.039 4.350 0.000 0.000 0.268 125 T C 1.899 176.592 174.700 -0.012 0.000 1.033 125 T CA 2.159 64.249 62.100 -0.017 0.000 1.152 125 T CB -0.365 68.495 68.868 -0.014 0.000 0.859 125 T HN 0.567 nan 8.240 nan 0.000 0.452 126 A N 1.294 124.110 122.820 -0.008 0.000 1.825 126 A HA 0.260 4.580 4.320 0.000 0.000 0.214 126 A C 2.709 180.292 177.584 -0.003 0.000 1.206 126 A CA 1.888 53.923 52.037 -0.004 0.000 0.609 126 A CB -1.471 17.528 19.000 -0.001 0.000 0.851 126 A HN 0.510 nan 8.150 nan 0.000 0.445 127 A N -0.568 122.251 122.820 -0.002 0.000 1.929 127 A HA -0.202 4.118 4.320 0.000 0.000 0.221 127 A C 2.243 179.826 177.584 -0.001 0.000 1.211 127 A CA 2.420 54.457 52.037 0.000 0.000 0.657 127 A CB -1.370 17.630 19.000 0.001 0.000 0.827 127 A HN 0.574 nan 8.150 nan 0.000 0.462 128 V N 0.008 119.917 119.914 -0.008 0.000 2.324 128 V HA -0.264 3.856 4.120 0.000 0.000 0.250 128 V C 2.644 178.735 176.094 -0.005 0.000 1.060 128 V CA 2.362 64.656 62.300 -0.010 0.000 1.042 128 V CB -0.673 31.138 31.823 -0.020 0.000 0.650 128 V HN 0.574 nan 8.190 nan 0.000 0.450 129 E N -0.182 120.016 120.200 -0.004 0.000 2.028 129 E HA -0.185 4.165 4.350 0.000 0.000 0.190 129 E C 2.129 178.730 176.600 0.003 0.000 0.984 129 E CA 0.908 57.307 56.400 -0.001 0.000 0.800 129 E CB -0.331 29.368 29.700 -0.001 0.000 0.758 129 E HN 0.543 nan 8.360 nan 0.000 0.448 130 E N 0.339 120.541 120.200 0.004 0.000 2.515 130 E HA -0.077 4.273 4.350 0.000 0.000 0.201 130 E C 1.395 178.001 176.600 0.010 0.000 1.071 130 E CA 0.056 56.461 56.400 0.008 0.000 0.880 130 E CB -0.049 29.656 29.700 0.009 0.000 0.828 130 E HN 0.033 nan 8.360 nan 0.000 0.540 131 L N -0.618 120.610 121.223 0.008 0.000 2.537 131 L HA 0.190 4.530 4.340 0.000 0.000 0.224 131 L C 1.371 178.247 176.870 0.010 0.000 1.065 131 L CA 0.782 55.628 54.840 0.010 0.000 0.860 131 L CB 0.240 42.303 42.059 0.007 0.000 1.086 131 L HN -0.125 nan 8.230 nan 0.000 0.482 132 K N -0.494 119.911 120.400 0.007 0.000 2.296 132 K HA 0.104 4.424 4.320 0.000 0.000 0.200 132 K C 1.896 178.502 176.600 0.010 0.000 1.048 132 K CA 0.850 57.142 56.287 0.008 0.000 0.966 132 K CB -0.009 32.494 32.500 0.005 0.000 0.754 132 K HN 0.359 nan 8.250 nan 0.000 0.466 133 A N 1.123 123.949 122.820 0.010 0.000 1.970 133 A HA -0.019 4.301 4.320 0.000 0.000 0.216 133 A C 1.944 179.537 177.584 0.015 0.000 1.170 133 A CA 0.696 52.740 52.037 0.012 0.000 0.645 133 A CB -0.273 18.734 19.000 0.011 0.000 0.816 133 A HN 0.216 nan 8.150 nan 0.000 0.447 134 L N -0.216 121.017 121.223 0.017 0.000 2.313 134 L HA 0.027 4.367 4.340 0.000 0.000 0.214 134 L C 1.428 178.311 176.870 0.021 0.000 1.119 134 L CA 0.307 55.160 54.840 0.022 0.000 0.809 134 L CB -0.084 41.990 42.059 0.025 0.000 0.933 134 L HN 0.414 nan 8.230 nan 0.000 0.449 135 S N -0.510 115.200 115.700 0.017 0.000 2.558 135 S HA 0.023 4.493 4.470 0.000 0.000 0.287 135 S C -0.052 174.557 174.600 0.016 0.000 1.321 135 S CA -0.355 57.855 58.200 0.016 0.000 1.048 135 S CB 0.795 64.003 63.200 0.013 0.000 0.844 135 S HN 0.041 nan 8.310 nan 0.000 0.512 136 V N 7.755 127.679 119.914 0.016 0.000 2.276 136 V HA 0.318 4.438 4.120 0.000 0.000 0.268 136 V C -2.074 174.028 176.094 0.013 0.000 1.032 136 V CA -1.568 60.741 62.300 0.015 0.000 0.810 136 V CB 0.392 32.225 31.823 0.017 0.000 1.060 136 V HN 0.801 nan 8.190 nan 0.000 0.446 137 P HA 0.016 nan 4.420 nan 0.000 0.268 137 P C -0.397 176.909 177.300 0.010 0.000 1.189 137 P CA 0.238 63.344 63.100 0.010 0.000 0.771 137 P CB 0.191 31.897 31.700 0.010 0.000 0.822 138 C N -0.362 118.943 119.300 0.009 0.000 2.887 138 C HA 0.548 5.008 4.460 0.000 0.000 0.379 138 C C 0.689 175.683 174.990 0.007 0.000 1.064 138 C CA -0.259 58.763 59.018 0.008 0.000 1.282 138 C CB 0.282 28.027 27.740 0.008 0.000 1.749 138 C HN 0.461 nan 8.230 nan 0.000 0.489 139 S N 0.972 116.675 115.700 0.006 0.000 2.575 139 S HA 0.133 4.603 4.470 0.000 0.000 0.230 139 S C 0.342 174.943 174.600 0.003 0.000 1.062 139 S CA 0.235 58.437 58.200 0.004 0.000 0.913 139 S CB 0.012 63.215 63.200 0.005 0.000 0.837 139 S HN 0.981 nan 8.310 nan 0.000 0.487 140 D N 2.349 122.751 120.400 0.003 0.000 2.350 140 D HA 0.072 4.712 4.640 0.000 0.000 0.249 140 D C 0.765 177.066 176.300 0.002 0.000 1.119 140 D CA 0.022 54.023 54.000 0.002 0.000 0.886 140 D CB 1.090 41.892 40.800 0.003 0.000 1.195 140 D HN 0.161 nan 8.370 nan 0.000 0.437 141 S N 1.285 116.986 115.700 0.000 0.000 2.626 141 S HA -0.189 4.281 4.470 0.000 0.000 0.245 141 S C 1.309 175.909 174.600 -0.000 0.000 0.973 141 S CA 0.266 58.466 58.200 -0.000 0.000 0.959 141 S CB -0.181 63.018 63.200 -0.002 0.000 0.762 141 S HN 0.489 nan 8.310 nan 0.000 0.539 142 K N 1.210 121.610 120.400 0.001 0.000 2.262 142 K HA 0.289 4.609 4.320 0.000 0.000 0.200 142 K C 1.852 178.453 176.600 0.002 0.000 1.049 142 K CA 0.987 57.275 56.287 0.001 0.000 0.979 142 K CB -0.326 32.176 32.500 0.002 0.000 0.773 142 K HN 0.448 nan 8.250 nan 0.000 0.474 143 A N 0.901 123.723 122.820 0.003 0.000 1.924 143 A HA 0.132 4.452 4.320 0.000 0.000 0.211 143 A C 2.072 179.657 177.584 0.003 0.000 1.198 143 A CA 0.173 52.212 52.037 0.003 0.000 0.657 143 A CB -0.311 18.692 19.000 0.005 0.000 0.852 143 A HN 0.198 nan 8.150 nan 0.000 0.454 144 I N 0.355 120.926 120.570 0.002 0.000 2.381 144 I HA -0.359 3.811 4.170 0.000 0.000 0.255 144 I C 2.708 178.824 176.117 -0.000 0.000 1.140 144 I CA 1.267 62.567 61.300 0.001 0.000 1.404 144 I CB -0.168 37.831 38.000 -0.001 0.000 1.075 144 I HN 0.394 nan 8.210 nan 0.000 0.433 145 A N -0.418 122.402 122.820 -0.000 0.000 1.975 145 A HA -0.167 4.153 4.320 0.000 0.000 0.215 145 A C 2.245 179.830 177.584 0.000 0.000 1.170 145 A CA 0.905 52.941 52.037 -0.001 0.000 0.656 145 A CB -0.303 18.696 19.000 -0.001 0.000 0.821 145 A HN 0.471 nan 8.150 nan 0.000 0.449 146 Q N -0.460 119.341 119.800 0.001 0.000 2.398 146 Q HA 0.037 4.377 4.340 0.000 0.000 0.204 146 Q C 1.452 177.454 176.000 0.002 0.000 0.932 146 Q CA 0.900 56.704 55.803 0.002 0.000 0.916 146 Q CB 0.080 28.819 28.738 0.002 0.000 1.024 146 Q HN 0.369 nan 8.270 nan 0.000 0.504 147 V N -0.268 119.648 119.914 0.004 0.000 2.346 147 V HA -0.072 4.048 4.120 0.000 0.000 0.244 147 V C 2.202 178.300 176.094 0.006 0.000 1.037 147 V CA 1.762 64.065 62.300 0.005 0.000 1.029 147 V CB -0.801 31.027 31.823 0.007 0.000 0.663 147 V HN 0.575 nan 8.190 nan 0.000 0.454 148 G N -0.212 108.591 108.800 0.005 0.000 2.440 148 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 148 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 148 G C 1.688 176.590 174.900 0.004 0.000 1.154 148 G CA 1.658 46.761 45.100 0.005 0.000 0.767 148 G HN 0.455 nan 8.290 nan 0.000 0.552 149 T N 1.463 116.019 114.554 0.002 0.000 2.622 149 T HA -0.085 4.265 4.350 0.000 0.000 0.266 149 T C 2.378 177.078 174.700 -0.000 0.000 1.047 149 T CA 1.159 63.259 62.100 0.000 0.000 1.159 149 T CB -0.227 68.641 68.868 -0.001 0.000 0.863 149 T HN 0.248 nan 8.240 nan 0.000 0.422 150 I N 1.133 121.703 120.570 -0.000 0.000 2.335 150 I HA -0.112 4.058 4.170 0.000 0.000 0.251 150 I C 1.668 177.785 176.117 -0.001 0.000 1.129 150 I CA 0.895 62.193 61.300 -0.002 0.000 1.402 150 I CB -0.276 37.723 38.000 -0.003 0.000 1.069 150 I HN 0.102 nan 8.210 nan 0.000 0.424 151 S N 0.788 116.490 115.700 0.003 0.000 2.768 151 S HA 0.409 4.879 4.470 0.000 0.000 0.246 151 S C 0.684 175.288 174.600 0.007 0.000 1.006 151 S CA 0.311 58.515 58.200 0.007 0.000 1.075 151 S CB 0.003 63.211 63.200 0.014 0.000 0.786 151 S HN 0.469 nan 8.310 nan 0.000 0.468 152 A N 1.352 124.174 122.820 0.003 0.000 3.066 152 A HA 0.464 4.784 4.320 0.000 0.000 0.194 152 A C 0.277 177.860 177.584 -0.001 0.000 0.972 152 A CA -0.760 51.279 52.037 0.003 0.000 1.183 152 A CB -0.482 18.520 19.000 0.004 0.000 1.269 152 A HN 0.297 nan 8.150 nan 0.000 0.567 153 N N 0.432 119.130 118.700 -0.003 0.000 2.725 153 N HA -0.183 4.557 4.740 0.000 0.000 0.249 153 N C 0.136 175.642 175.510 -0.006 0.000 1.103 153 N CA 1.314 54.360 53.050 -0.006 0.000 0.707 153 N CB -1.586 36.897 38.487 -0.006 0.000 1.043 153 N HN 0.902 nan 8.380 nan 0.000 0.553 154 S N -1.195 114.502 115.700 -0.006 0.000 3.766 154 S HA -0.202 4.268 4.470 0.000 0.000 0.416 154 S C -0.543 174.055 174.600 -0.004 0.000 0.902 154 S CA 0.751 58.947 58.200 -0.005 0.000 1.283 154 S CB -0.581 62.614 63.200 -0.008 0.000 0.891 154 S HN 0.568 nan 8.310 nan 0.000 0.556 155 D N 0.687 121.085 120.400 -0.003 0.000 2.462 155 D HA 0.384 5.024 4.640 0.000 0.000 0.249 155 D C 0.946 177.245 176.300 -0.002 0.000 1.117 155 D CA -0.610 53.389 54.000 -0.002 0.000 0.900 155 D CB 0.719 41.518 40.800 -0.002 0.000 1.039 155 D HN 0.285 nan 8.370 nan 0.000 0.516 156 E N 0.515 120.714 120.200 -0.002 0.000 2.284 156 E HA -0.170 4.180 4.350 0.000 0.000 0.200 156 E C 1.628 178.227 176.600 -0.002 0.000 1.008 156 E CA 1.429 57.828 56.400 -0.002 0.000 0.829 156 E CB 0.104 29.803 29.700 -0.002 0.000 0.744 156 E HN 0.406 nan 8.360 nan 0.000 0.491 157 T N -0.230 114.323 114.554 -0.002 0.000 2.777 157 T HA -0.106 4.244 4.350 0.000 0.000 0.266 157 T C 1.929 176.628 174.700 -0.003 0.000 1.040 157 T CA 1.076 63.175 62.100 -0.002 0.000 1.141 157 T CB -0.188 68.679 68.868 -0.002 0.000 0.868 157 T HN -0.002 nan 8.240 nan 0.000 0.444 158 V N 1.480 121.393 119.914 -0.002 0.000 2.223 158 V HA -0.117 4.003 4.120 0.000 0.000 0.244 158 V C 2.905 178.998 176.094 -0.002 0.000 1.045 158 V CA 2.140 64.439 62.300 -0.002 0.000 1.000 158 V CB -1.459 30.364 31.823 0.000 0.000 0.635 158 V HN 0.567 nan 8.190 nan 0.000 0.445 159 G N -0.412 108.388 108.800 -0.002 0.000 2.476 159 G HA2 -0.375 3.585 3.960 0.000 0.000 0.218 159 G HA3 -0.375 3.585 3.960 0.000 0.000 0.218 159 G C 1.648 176.547 174.900 -0.003 0.000 1.164 159 G CA 1.365 46.464 45.100 -0.002 0.000 0.768 159 G HN 0.519 nan 8.290 nan 0.000 0.560 160 K N -0.086 120.312 120.400 -0.003 0.000 2.032 160 K HA 0.032 4.352 4.320 0.000 0.000 0.209 160 K C 2.473 179.070 176.600 -0.005 0.000 1.048 160 K CA 1.086 57.371 56.287 -0.003 0.000 0.927 160 K CB -0.300 32.198 32.500 -0.003 0.000 0.712 160 K HN 0.358 nan 8.250 nan 0.000 0.441 161 L N 1.017 122.237 121.223 -0.005 0.000 2.017 161 L HA -0.179 4.161 4.340 0.000 0.000 0.208 161 L C 2.354 179.219 176.870 -0.009 0.000 1.073 161 L CA 1.167 56.003 54.840 -0.007 0.000 0.745 161 L CB -0.189 41.866 42.059 -0.007 0.000 0.894 161 L HN 0.288 nan 8.230 nan 0.000 0.432 162 I N -0.436 120.128 120.570 -0.010 0.000 2.127 162 I HA -0.350 3.820 4.170 0.000 0.000 0.241 162 I C 2.768 178.877 176.117 -0.012 0.000 1.075 162 I CA 1.323 62.615 61.300 -0.013 0.000 1.334 162 I CB -0.575 37.418 38.000 -0.012 0.000 1.040 162 I HN 0.308 nan 8.210 nan 0.000 0.405 163 A N 0.598 123.413 122.820 -0.009 0.000 1.873 163 A HA -0.268 4.052 4.320 0.000 0.000 0.218 163 A C 2.134 179.713 177.584 -0.008 0.000 1.193 163 A CA 1.981 54.014 52.037 -0.007 0.000 0.629 163 A CB -0.836 18.161 19.000 -0.005 0.000 0.826 163 A HN 0.505 nan 8.150 nan 0.000 0.447 164 E N -0.475 119.721 120.200 -0.007 0.000 2.396 164 E HA -0.077 4.273 4.350 0.000 0.000 0.200 164 E C 1.940 178.535 176.600 -0.009 0.000 1.023 164 E CA 0.610 57.005 56.400 -0.007 0.000 0.857 164 E CB -0.217 29.479 29.700 -0.006 0.000 0.775 164 E HN 0.669 nan 8.360 nan 0.000 0.525 165 A N 0.806 123.619 122.820 -0.011 0.000 1.887 165 A HA 0.040 4.360 4.320 0.000 0.000 0.210 165 A C 2.018 179.593 177.584 -0.014 0.000 1.221 165 A CA 0.158 52.187 52.037 -0.014 0.000 0.635 165 A CB -0.112 18.877 19.000 -0.018 0.000 0.881 165 A HN 0.073 nan 8.150 nan 0.000 0.456 166 M N 0.079 119.670 119.600 -0.015 0.000 2.623 166 M HA -0.146 4.334 4.480 0.000 0.000 0.258 166 M C 1.403 177.697 176.300 -0.010 0.000 1.067 166 M CA 1.574 56.865 55.300 -0.014 0.000 1.068 166 M CB -0.465 32.127 32.600 -0.013 0.000 1.409 166 M HN 0.550 nan 8.290 nan 0.000 0.504 167 D N 0.725 121.120 120.400 -0.009 0.000 2.146 167 D HA -0.064 4.576 4.640 0.000 0.000 0.209 167 D C 1.637 177.933 176.300 -0.007 0.000 0.973 167 D CA 1.140 55.136 54.000 -0.007 0.000 0.860 167 D CB 0.200 40.996 40.800 -0.006 0.000 1.015 167 D HN 0.138 nan 8.370 nan 0.000 0.465 168 K N -0.400 119.995 120.400 -0.008 0.000 2.442 168 K HA -0.029 4.291 4.320 0.000 0.000 0.198 168 K C 1.221 177.817 176.600 -0.008 0.000 1.044 168 K CA 0.702 56.985 56.287 -0.007 0.000 0.948 168 K CB 0.542 33.037 32.500 -0.008 0.000 0.762 168 K HN 0.186 nan 8.250 nan 0.000 0.472 169 V N -1.196 118.712 119.914 -0.009 0.000 3.539 169 V HA 0.219 4.339 4.120 0.000 0.000 0.262 169 V C 0.543 176.632 176.094 -0.008 0.000 1.381 169 V CA 0.071 62.365 62.300 -0.009 0.000 1.060 169 V CB 0.680 32.496 31.823 -0.012 0.000 0.842 169 V HN 0.395 nan 8.190 nan 0.000 0.445 170 G N 1.446 110.241 108.800 -0.008 0.000 2.719 170 G HA2 -0.164 3.796 3.960 0.000 0.000 0.686 170 G HA3 -0.164 3.796 3.960 0.000 0.000 0.686 170 G C 0.081 174.976 174.900 -0.008 0.000 1.201 170 G CA -0.046 45.050 45.100 -0.007 0.000 0.768 170 G HN 0.241 nan 8.290 nan 0.000 0.629 171 K N 0.168 120.564 120.400 -0.006 0.000 2.304 171 K HA -0.156 4.164 4.320 0.000 0.000 0.204 171 K C 1.459 178.055 176.600 -0.007 0.000 1.044 171 K CA 1.796 58.079 56.287 -0.006 0.000 0.932 171 K CB 0.057 32.556 32.500 -0.002 0.000 0.735 171 K HN 0.513 nan 8.250 nan 0.000 0.468 172 E N 0.231 120.428 120.200 -0.005 0.000 2.476 172 E HA 0.089 4.439 4.350 0.000 0.000 0.196 172 E C 0.791 177.387 176.600 -0.006 0.000 1.029 172 E CA 0.022 56.420 56.400 -0.003 0.000 0.896 172 E CB 0.805 30.506 29.700 0.001 0.000 1.012 172 E HN 0.314 nan 8.360 nan 0.000 0.475 173 G N 0.888 109.681 108.800 -0.010 0.000 2.525 173 G HA2 0.407 4.367 3.960 0.000 0.000 0.287 173 G HA3 0.407 4.367 3.960 0.000 0.000 0.287 173 G C 0.047 174.935 174.900 -0.020 0.000 1.350 173 G CA -0.416 44.677 45.100 -0.012 0.000 1.039 173 G HN 0.014 nan 8.290 nan 0.000 0.513 174 V N -1.815 118.087 119.914 -0.021 0.000 2.547 174 V HA 0.756 4.876 4.120 0.000 0.000 0.299 174 V C -0.305 175.767 176.094 -0.037 0.000 1.040 174 V CA -0.913 61.369 62.300 -0.031 0.000 0.913 174 V CB 1.312 33.120 31.823 -0.025 0.000 0.992 174 V HN 0.534 nan 8.190 nan 0.000 0.449 175 I N 2.621 123.159 120.570 -0.053 0.000 2.534 175 I HA 0.518 4.688 4.170 0.000 0.000 0.288 175 I C -0.211 175.871 176.117 -0.059 0.000 1.077 175 I CA -0.172 61.096 61.300 -0.053 0.000 1.051 175 I CB 2.533 40.497 38.000 -0.059 0.000 1.234 175 I HN 0.709 nan 8.210 nan 0.000 0.425 176 T N 5.019 119.548 114.554 -0.043 0.000 2.918 176 T HA 0.631 4.981 4.350 0.000 0.000 0.286 176 T C -0.453 174.230 174.700 -0.030 0.000 1.026 176 T CA -0.594 61.484 62.100 -0.037 0.000 1.031 176 T CB 2.410 71.261 68.868 -0.028 0.000 1.046 176 T HN 0.212 nan 8.240 nan 0.000 0.479 177 V N 2.693 122.593 119.914 -0.024 0.000 2.443 177 V HA 0.467 4.587 4.120 0.000 0.000 0.293 177 V C -0.176 175.912 176.094 -0.009 0.000 1.021 177 V CA -0.777 61.514 62.300 -0.016 0.000 0.848 177 V CB 1.451 33.267 31.823 -0.013 0.000 0.998 177 V HN 0.872 nan 8.190 nan 0.000 0.424 178 E N 1.985 122.180 120.200 -0.008 0.000 2.412 178 E HA 0.461 4.811 4.350 0.000 0.000 0.255 178 E C -1.220 175.377 176.600 -0.004 0.000 0.933 178 E CA -1.069 55.328 56.400 -0.006 0.000 0.823 178 E CB 1.498 31.193 29.700 -0.008 0.000 1.352 178 E HN 0.607 nan 8.360 nan 0.000 0.406 179 D N 0.572 120.970 120.400 -0.004 0.000 2.345 179 D HA 0.213 4.853 4.640 0.000 0.000 0.247 179 D C -0.108 176.189 176.300 -0.004 0.000 1.108 179 D CA 0.061 54.059 54.000 -0.003 0.000 0.894 179 D CB 1.361 42.160 40.800 -0.002 0.000 1.203 179 D HN 0.433 nan 8.370 nan 0.000 0.430 180 G N -0.071 108.726 108.800 -0.004 0.000 2.507 180 G HA2 0.309 4.269 3.960 0.000 0.000 0.271 180 G HA3 0.309 4.269 3.960 0.000 0.000 0.271 180 G C 0.309 175.206 174.900 -0.004 0.000 1.189 180 G CA -0.541 44.556 45.100 -0.004 0.000 0.859 180 G HN 0.402 nan 8.290 nan 0.000 0.542 181 T N -1.049 113.503 114.554 -0.004 0.000 3.540 181 T HA 0.576 4.927 4.350 0.000 0.000 0.269 181 T C 0.974 175.672 174.700 -0.004 0.000 1.481 181 T CA 0.299 62.396 62.100 -0.004 0.000 1.224 181 T CB -0.192 68.673 68.868 -0.005 0.000 1.192 181 T HN 2.022 nan 8.240 nan 0.000 0.756 182 G N 1.869 110.667 108.800 -0.003 0.000 2.416 182 G HA2 -0.021 3.939 3.960 0.000 0.000 0.203 182 G HA3 -0.021 3.939 3.960 0.000 0.000 0.203 182 G C -1.113 173.785 174.900 -0.003 0.000 1.227 182 G CA -0.592 44.506 45.100 -0.003 0.000 1.041 182 G HN 0.636 nan 8.290 nan 0.000 0.546 183 L N 1.141 122.363 121.223 -0.002 0.000 2.421 183 L HA 0.692 5.032 4.340 0.000 0.000 0.263 183 L C 0.632 177.501 176.870 -0.003 0.000 1.122 183 L CA 0.592 55.431 54.840 -0.002 0.000 0.804 183 L CB 0.536 42.594 42.059 -0.002 0.000 1.150 183 L HN 1.091 nan 8.230 nan 0.000 0.457 184 Q N 2.171 121.970 119.800 -0.003 0.000 3.149 184 Q HA -0.106 4.234 4.340 0.000 0.000 0.055 184 Q C -1.324 174.674 176.000 -0.004 0.000 1.662 184 Q CA 0.337 56.139 55.803 -0.003 0.000 0.281 184 Q CB -0.217 28.519 28.738 -0.003 0.000 0.584 184 Q HN 0.654 nan 8.270 nan 0.000 0.322 185 D N 3.523 123.921 120.400 -0.004 0.000 2.304 185 D HA 0.195 4.835 4.640 0.000 0.000 0.250 185 D C -0.011 176.285 176.300 -0.005 0.000 1.107 185 D CA 0.124 54.121 54.000 -0.005 0.000 0.885 185 D CB 0.894 41.691 40.800 -0.005 0.000 1.192 185 D HN 0.289 nan 8.370 nan 0.000 0.436 186 E N 0.421 120.617 120.200 -0.006 0.000 2.221 186 E HA 0.527 4.877 4.350 0.000 0.000 0.268 186 E C -0.815 175.781 176.600 -0.008 0.000 0.933 186 E CA -1.025 55.371 56.400 -0.006 0.000 0.809 186 E CB 2.282 31.978 29.700 -0.007 0.000 1.190 186 E HN 0.090 nan 8.360 nan 0.000 0.406 187 L N 2.499 123.717 121.223 -0.008 0.000 2.573 187 L HA 0.374 4.714 4.340 0.000 0.000 0.260 187 L C -1.731 175.133 176.870 -0.009 0.000 0.997 187 L CA -0.218 54.617 54.840 -0.009 0.000 0.890 187 L CB 0.906 42.959 42.059 -0.009 0.000 1.179 187 L HN 0.418 nan 8.230 nan 0.000 0.439 188 D N 2.553 122.947 120.400 -0.009 0.000 2.449 188 D HA 0.670 5.310 4.640 0.000 0.000 0.250 188 D C -0.883 175.411 176.300 -0.009 0.000 1.050 188 D CA -0.353 53.642 54.000 -0.009 0.000 1.024 188 D CB 2.802 43.597 40.800 -0.008 0.000 1.218 188 D HN 0.235 nan 8.370 nan 0.000 0.566 189 V N 0.907 120.816 119.914 -0.008 0.000 2.531 189 V HA 0.435 4.555 4.120 0.000 0.000 0.301 189 V C 0.113 176.203 176.094 -0.007 0.000 1.034 189 V CA -0.715 61.580 62.300 -0.008 0.000 0.865 189 V CB 1.688 33.507 31.823 -0.007 0.000 0.995 189 V HN 0.472 nan 8.190 nan 0.000 0.424 190 V N 0.837 120.746 119.914 -0.007 0.000 3.126 190 V HA 0.703 4.823 4.120 0.000 0.000 0.314 190 V C -0.297 175.795 176.094 -0.003 0.000 1.138 190 V CA -1.077 61.220 62.300 -0.006 0.000 1.034 190 V CB 2.075 33.894 31.823 -0.007 0.000 1.075 190 V HN 0.697 nan 8.190 nan 0.000 0.442 191 E N 1.430 121.630 120.200 -0.001 0.000 2.417 191 E HA 0.544 4.894 4.350 0.000 0.000 0.261 191 E C 0.308 176.912 176.600 0.007 0.000 1.000 191 E CA 1.063 57.465 56.400 0.003 0.000 0.919 191 E CB 0.706 30.408 29.700 0.003 0.000 0.955 191 E HN 1.291 nan 8.360 nan 0.000 0.455 192 G N 1.399 110.206 108.800 0.012 0.000 2.316 192 G HA2 0.446 4.406 3.960 0.000 0.000 0.296 192 G HA3 0.446 4.406 3.960 0.000 0.000 0.296 192 G C -0.896 174.022 174.900 0.030 0.000 1.399 192 G CA -0.349 44.764 45.100 0.021 0.000 0.833 192 G HN 0.437 nan 8.290 nan 0.000 0.565 193 M N -1.439 118.190 119.600 0.049 0.000 3.331 193 M HA 0.860 5.340 4.480 0.000 0.000 0.281 193 M C -1.665 174.675 176.300 0.067 0.000 1.338 193 M CA -0.975 54.364 55.300 0.066 0.000 0.827 193 M CB 2.304 34.964 32.600 0.099 0.000 1.674 193 M HN 0.794 nan 8.290 nan 0.000 0.477 194 Q N 1.575 121.425 119.800 0.083 0.000 2.296 194 Q HA 0.516 4.856 4.340 0.000 0.000 0.254 194 Q C -2.281 173.765 176.000 0.077 0.000 0.936 194 Q CA -0.682 55.118 55.803 -0.004 0.000 0.834 194 Q CB 1.825 30.528 28.738 -0.059 0.000 1.340 194 Q HN 0.688 nan 8.270 nan 0.000 0.428 195 F N 0.383 120.330 119.950 -0.004 0.000 2.450 195 F HA 0.559 5.086 4.527 0.000 0.000 0.328 195 F C 0.092 175.889 175.800 -0.005 0.000 1.068 195 F CA -1.229 56.770 58.000 -0.002 0.000 1.007 195 F CB 0.686 39.687 39.000 0.001 0.000 1.251 195 F HN 0.329 nan 8.300 nan 0.000 0.492 196 D N 1.973 122.478 120.400 0.174 0.000 2.994 196 D HA 0.118 4.758 4.640 0.000 0.000 0.240 196 D C -0.167 176.180 176.300 0.079 0.000 1.195 196 D CA 0.179 54.219 54.000 0.066 0.000 0.957 196 D CB -0.146 40.695 40.800 0.068 0.000 1.105 196 D HN 0.214 nan 8.370 nan 0.000 0.477 197 R N 0.360 120.892 120.500 0.053 0.000 2.480 197 R HA 0.515 4.855 4.340 0.000 0.000 0.306 197 R C 0.496 176.745 176.300 -0.084 0.000 0.958 197 R CA -0.696 55.446 56.100 0.069 0.000 0.861 197 R CB 2.049 32.534 30.300 0.309 0.000 1.171 197 R HN 0.135 nan 8.270 nan 0.000 0.445 198 G N 1.430 110.155 108.800 -0.125 0.000 2.535 198 G HA2 0.348 4.308 3.960 0.000 0.000 0.303 198 G HA3 0.348 4.308 3.960 0.000 0.000 0.303 198 G C -0.595 174.185 174.900 -0.200 0.000 1.237 198 G CA -0.450 44.473 45.100 -0.295 0.000 0.986 198 G HN 0.464 nan 8.290 nan 0.000 0.494 199 Y N -1.168 119.138 120.300 0.011 0.000 2.457 199 Y HA 0.314 4.864 4.550 0.000 0.000 0.341 199 Y C 1.389 177.337 175.900 0.079 0.000 1.240 199 Y CA -1.204 56.907 58.100 0.019 0.000 1.437 199 Y CB 0.356 38.856 38.460 0.068 0.000 1.328 199 Y HN 0.205 nan 8.280 nan 0.000 0.588 200 L N 1.061 122.474 121.223 0.317 0.000 2.275 200 L HA -0.016 4.324 4.340 0.000 0.000 0.215 200 L C 0.815 177.940 176.870 0.426 0.000 1.119 200 L CA 1.480 56.505 54.840 0.307 0.000 0.790 200 L CB -0.197 42.008 42.059 0.244 0.000 0.919 200 L HN 0.817 nan 8.230 nan 0.000 0.443 201 S N -2.509 113.549 115.700 0.596 0.000 2.558 201 S HA 0.391 4.861 4.470 0.000 0.000 0.277 201 S C -2.585 172.091 174.600 0.127 0.000 1.143 201 S CA -1.082 57.349 58.200 0.386 0.000 0.865 201 S CB 1.779 65.143 63.200 0.273 0.000 1.102 201 S HN -0.278 nan 8.310 nan 0.000 0.454 202 P HA 0.345 nan 4.420 nan 0.000 0.330 202 P C 0.107 177.249 177.300 -0.264 0.000 1.377 202 P CA 0.501 63.279 63.100 -0.537 0.000 0.793 202 P CB -0.008 31.398 31.700 -0.489 0.000 1.813 203 Y N -4.544 115.605 120.300 -0.250 0.000 2.769 203 Y HA -0.328 4.222 4.550 0.000 0.000 0.487 203 Y C 1.967 177.750 175.900 -0.196 0.000 1.131 203 Y CA 1.681 59.639 58.100 -0.236 0.000 2.888 203 Y CB -2.964 35.302 38.460 -0.323 0.000 0.920 203 Y HN 0.100 nan 8.280 nan 0.000 0.553 204 F N 0.603 120.558 119.950 0.008 0.000 2.192 204 F HA -0.164 4.363 4.527 0.000 0.000 0.301 204 F C 1.627 177.393 175.800 -0.057 0.000 1.079 204 F CA 1.325 59.313 58.000 -0.020 0.000 1.303 204 F CB -0.708 38.276 39.000 -0.026 0.000 1.024 204 F HN 0.011 nan 8.300 nan 0.000 0.494 205 I N 1.481 122.069 120.570 0.030 0.000 3.141 205 I HA -0.204 3.966 4.170 0.000 0.000 0.295 205 I C 0.609 176.739 176.117 0.021 0.000 1.252 205 I CA 1.025 62.312 61.300 -0.022 0.000 1.406 205 I CB 0.064 37.992 38.000 -0.121 0.000 1.333 205 I HN 0.262 nan 8.210 nan 0.000 0.594 206 N N 1.619 120.333 118.700 0.023 0.000 2.228 206 N HA 0.093 4.833 4.740 0.000 0.000 0.237 206 N C -0.628 174.893 175.510 0.018 0.000 1.382 206 N CA -0.429 52.636 53.050 0.025 0.000 0.787 206 N CB 0.470 38.981 38.487 0.041 0.000 1.320 206 N HN 0.369 nan 8.380 nan 0.000 0.507 207 K N 1.017 121.424 120.400 0.013 0.000 3.350 207 K HA 0.279 4.599 4.320 0.000 0.000 0.167 207 K C -2.206 174.398 176.600 0.006 0.000 1.058 207 K CA -0.983 55.312 56.287 0.012 0.000 0.783 207 K CB 1.834 34.346 32.500 0.020 0.000 0.872 207 K HN 0.017 nan 8.250 nan 0.000 0.561 208 P HA -0.201 nan 4.420 nan 0.000 0.222 208 P C 0.498 177.793 177.300 -0.007 0.000 1.139 208 P CA 1.251 64.343 63.100 -0.014 0.000 0.790 208 P CB 0.498 32.186 31.700 -0.019 0.000 0.757 209 E N -0.087 120.113 120.200 -0.000 0.000 2.110 209 E HA -0.109 4.241 4.350 0.000 0.000 0.193 209 E C 1.892 178.493 176.600 0.002 0.000 0.988 209 E CA 2.176 58.577 56.400 0.001 0.000 0.804 209 E CB -0.886 28.817 29.700 0.005 0.000 0.745 209 E HN 0.447 nan 8.360 nan 0.000 0.458 210 T N -4.658 109.902 114.554 0.010 0.000 3.004 210 T HA 0.364 4.714 4.350 0.000 0.000 0.266 210 T C 1.198 175.912 174.700 0.024 0.000 0.986 210 T CA 0.023 62.132 62.100 0.015 0.000 0.902 210 T CB 0.673 69.559 68.868 0.030 0.000 1.118 210 T HN 0.231 nan 8.240 nan 0.000 0.522 211 G N 1.314 110.127 108.800 0.021 0.000 2.351 211 G HA2 0.245 4.205 3.960 0.000 0.000 0.297 211 G HA3 0.245 4.205 3.960 0.000 0.000 0.297 211 G C 0.041 174.991 174.900 0.084 0.000 1.054 211 G CA -0.075 45.042 45.100 0.029 0.000 1.123 211 G HN 1.335 nan 8.290 nan 0.000 0.512 212 A N -0.714 122.148 122.820 0.070 0.000 2.556 212 A HA 0.935 5.255 4.320 0.000 0.000 0.294 212 A C 0.166 177.797 177.584 0.078 0.000 1.091 212 A CA -0.098 52.007 52.037 0.113 0.000 0.704 212 A CB 1.714 20.771 19.000 0.095 0.000 1.300 212 A HN 1.300 nan 8.150 nan 0.000 0.406 213 V N 0.329 120.304 119.914 0.102 0.000 3.441 213 V HA 0.629 4.749 4.120 0.000 0.000 0.300 213 V C 0.337 176.461 176.094 0.050 0.000 1.062 213 V CA -0.081 62.264 62.300 0.076 0.000 1.064 213 V CB 1.421 33.295 31.823 0.085 0.000 1.197 213 V HN 0.986 nan 8.190 nan 0.000 0.451 214 E N 0.534 120.757 120.200 0.038 0.000 2.597 214 E HA 0.458 4.808 4.350 0.000 0.000 0.310 214 E C -2.176 174.436 176.600 0.020 0.000 0.970 214 E CA -0.490 55.923 56.400 0.022 0.000 0.819 214 E CB 1.232 30.944 29.700 0.021 0.000 1.267 214 E HN 0.571 nan 8.360 nan 0.000 0.411 215 L N 3.043 124.272 121.223 0.009 0.000 2.408 215 L HA 0.520 4.860 4.340 0.000 0.000 0.268 215 L C -0.347 176.518 176.870 -0.009 0.000 0.986 215 L CA -1.146 53.698 54.840 0.006 0.000 0.820 215 L CB 1.950 44.015 42.059 0.010 0.000 1.303 215 L HN 0.425 nan 8.230 nan 0.000 0.411 216 E N 1.280 121.472 120.200 -0.012 0.000 2.229 216 E HA 0.135 4.485 4.350 0.000 0.000 0.283 216 E C 0.242 176.809 176.600 -0.056 0.000 1.030 216 E CA -0.237 56.146 56.400 -0.028 0.000 0.836 216 E CB 1.443 31.131 29.700 -0.020 0.000 1.068 216 E HN 0.602 nan 8.360 nan 0.000 0.401 217 S N 2.395 118.050 115.700 -0.074 0.000 3.311 217 S HA -0.148 4.322 4.470 0.000 0.000 0.373 217 S C -1.904 172.577 174.600 -0.199 0.000 0.945 217 S CA 0.413 58.535 58.200 -0.130 0.000 1.238 217 S CB -1.301 61.816 63.200 -0.139 0.000 0.893 217 S HN 0.461 nan 8.310 nan 0.000 0.478 218 P HA 0.271 nan 4.420 nan 0.000 0.274 218 P C 0.005 177.203 177.300 -0.171 0.000 1.260 218 P CA -0.339 62.699 63.100 -0.103 0.000 0.793 218 P CB 0.456 32.150 31.700 -0.010 0.000 1.048 219 F N -0.434 119.524 119.950 0.013 0.000 2.425 219 F HA 0.457 4.984 4.527 0.000 0.000 0.331 219 F C 0.738 176.547 175.800 0.014 0.000 1.085 219 F CA -0.507 57.501 58.000 0.013 0.000 1.028 219 F CB 0.931 39.938 39.000 0.012 0.000 1.177 219 F HN 0.041 nan 8.300 nan 0.000 0.487 220 I N 4.293 125.010 120.570 0.245 0.000 2.436 220 I HA 0.272 4.442 4.170 0.000 0.000 0.289 220 I C -1.276 174.907 176.117 0.109 0.000 1.010 220 I CA -0.998 60.386 61.300 0.140 0.000 1.098 220 I CB 1.838 39.900 38.000 0.103 0.000 1.266 220 I HN 0.231 nan 8.210 nan 0.000 0.434 221 L N 8.171 129.438 121.223 0.074 0.000 2.255 221 L HA 0.447 4.787 4.340 0.000 0.000 0.289 221 L C -0.809 176.078 176.870 0.028 0.000 1.046 221 L CA -0.050 54.814 54.840 0.041 0.000 0.816 221 L CB 0.622 42.697 42.059 0.027 0.000 1.197 221 L HN 0.464 nan 8.230 nan 0.000 0.427 222 L N 6.418 127.652 121.223 0.018 0.000 2.314 222 L HA 0.656 4.996 4.340 0.000 0.000 0.275 222 L C -0.002 176.866 176.870 -0.004 0.000 1.068 222 L CA -0.385 54.456 54.840 0.002 0.000 0.894 222 L CB 0.756 42.813 42.059 -0.004 0.000 1.275 222 L HN 0.773 nan 8.230 nan 0.000 0.432 223 A N 1.750 124.568 122.820 -0.003 0.000 2.319 223 A HA 0.394 4.714 4.320 0.000 0.000 0.310 223 A C -0.696 176.884 177.584 -0.005 0.000 1.152 223 A CA -0.565 51.470 52.037 -0.003 0.000 0.783 223 A CB 1.047 20.049 19.000 0.003 0.000 1.184 223 A HN 0.624 nan 8.150 nan 0.000 0.474 224 D N 2.754 123.149 120.400 -0.008 0.000 2.453 224 D HA 0.466 5.106 4.640 0.000 0.000 0.223 224 D C -0.025 176.276 176.300 0.000 0.000 1.183 224 D CA 0.429 54.424 54.000 -0.008 0.000 0.933 224 D CB -0.365 40.427 40.800 -0.014 0.000 1.038 224 D HN 0.648 nan 8.370 nan 0.000 0.513 225 K N 0.650 121.054 120.400 0.006 0.000 3.663 225 K HA 0.168 4.488 4.320 0.000 0.000 0.413 225 K C -1.265 175.346 176.600 0.018 0.000 1.089 225 K CA -1.163 55.132 56.287 0.012 0.000 0.860 225 K CB 0.254 32.759 32.500 0.010 0.000 1.492 225 K HN -0.027 nan 8.250 nan 0.000 0.517 226 K N 0.506 120.919 120.400 0.021 0.000 2.087 226 K HA 0.582 4.902 4.320 0.000 0.000 0.255 226 K C -0.594 176.021 176.600 0.025 0.000 0.988 226 K CA -0.693 55.609 56.287 0.027 0.000 0.915 226 K CB 0.905 33.422 32.500 0.028 0.000 1.043 226 K HN 0.390 nan 8.250 nan 0.000 0.457 227 I N 0.815 121.404 120.570 0.031 0.000 2.512 227 I HA 0.074 4.244 4.170 0.000 0.000 0.287 227 I C 0.127 176.265 176.117 0.036 0.000 1.069 227 I CA -0.048 61.270 61.300 0.031 0.000 1.056 227 I CB 2.062 40.081 38.000 0.032 0.000 1.229 227 I HN 0.634 nan 8.210 nan 0.000 0.429 228 S N 3.930 119.648 115.700 0.030 0.000 2.700 228 S HA 0.245 4.715 4.470 0.000 0.000 0.272 228 S C -0.113 174.501 174.600 0.024 0.000 1.052 228 S CA -0.175 58.043 58.200 0.030 0.000 1.317 228 S CB 0.277 63.493 63.200 0.028 0.000 1.212 228 S HN 0.599 nan 8.310 nan 0.000 0.675 229 N N 2.753 121.465 118.700 0.020 0.000 2.699 229 N HA 0.301 5.041 4.740 0.000 0.000 0.232 229 N C 0.752 176.271 175.510 0.015 0.000 1.027 229 N CA -0.118 52.941 53.050 0.015 0.000 0.920 229 N CB 1.072 39.566 38.487 0.012 0.000 1.148 229 N HN 0.430 nan 8.380 nan 0.000 0.509 230 I N 1.558 122.138 120.570 0.016 0.000 2.381 230 I HA -0.284 3.886 4.170 0.000 0.000 0.255 230 I C 2.203 178.326 176.117 0.010 0.000 1.140 230 I CA 1.261 62.570 61.300 0.016 0.000 1.404 230 I CB 0.201 38.211 38.000 0.015 0.000 1.075 230 I HN 0.386 nan 8.210 nan 0.000 0.433 231 R N 0.917 121.422 120.500 0.007 0.000 2.355 231 R HA -0.176 4.164 4.340 0.000 0.000 0.219 231 R C 1.477 177.778 176.300 0.002 0.000 1.107 231 R CA 1.388 57.491 56.100 0.004 0.000 1.021 231 R CB -0.062 30.240 30.300 0.003 0.000 0.852 231 R HN 0.579 nan 8.270 nan 0.000 0.475 232 E N -1.033 119.170 120.200 0.004 0.000 2.452 232 E HA -0.002 4.348 4.350 0.000 0.000 0.197 232 E C 1.426 178.026 176.600 0.000 0.000 1.022 232 E CA 0.061 56.462 56.400 0.002 0.000 0.890 232 E CB 0.364 30.066 29.700 0.004 0.000 0.918 232 E HN 0.259 nan 8.360 nan 0.000 0.496 233 M N 0.260 119.862 119.600 0.003 0.000 2.394 233 M HA 0.060 4.540 4.480 0.000 0.000 0.266 233 M C 2.145 178.443 176.300 -0.004 0.000 1.098 233 M CA 0.806 56.107 55.300 0.002 0.000 1.149 233 M CB -0.493 32.114 32.600 0.013 0.000 1.369 233 M HN 0.138 nan 8.290 nan 0.000 0.450 234 L N 1.114 122.335 121.223 -0.003 0.000 1.990 234 L HA -0.198 4.142 4.340 0.000 0.000 0.213 234 L C -0.283 176.579 176.870 -0.013 0.000 1.072 234 L CA 1.637 56.473 54.840 -0.006 0.000 0.755 234 L CB -2.656 39.401 42.059 -0.004 0.000 0.889 234 L HN 0.185 nan 8.230 nan 0.000 0.432 235 P HA -0.108 nan 4.420 nan 0.000 0.226 235 P C 0.781 178.061 177.300 -0.033 0.000 1.146 235 P CA 1.347 64.434 63.100 -0.021 0.000 0.773 235 P CB 0.196 31.885 31.700 -0.018 0.000 0.772 236 V N -0.884 119.008 119.914 -0.036 0.000 3.047 236 V HA 0.211 4.331 4.120 0.000 0.000 0.374 236 V C 1.157 177.217 176.094 -0.057 0.000 1.399 236 V CA -0.021 62.244 62.300 -0.058 0.000 1.251 236 V CB 0.535 32.323 31.823 -0.059 0.000 1.228 236 V HN 0.015 nan 8.190 nan 0.000 0.589 237 L N -1.259 119.941 121.223 -0.037 0.000 2.854 237 L HA 0.401 4.741 4.340 0.000 0.000 0.249 237 L C 1.948 178.807 176.870 -0.017 0.000 1.091 237 L CA 0.752 55.580 54.840 -0.021 0.000 0.935 237 L CB 0.916 42.974 42.059 -0.001 0.000 1.367 237 L HN 0.220 nan 8.230 nan 0.000 0.524 238 E N 0.465 120.652 120.200 -0.020 0.000 2.216 238 E HA -0.009 4.341 4.350 0.000 0.000 0.192 238 E C 1.626 178.211 176.600 -0.026 0.000 0.988 238 E CA 0.716 57.107 56.400 -0.015 0.000 0.834 238 E CB 0.126 29.818 29.700 -0.013 0.000 0.772 238 E HN 0.511 nan 8.360 nan 0.000 0.479 239 A N 0.672 123.462 122.820 -0.050 0.000 2.250 239 A HA 0.034 4.354 4.320 0.000 0.000 0.208 239 A C 1.646 179.167 177.584 -0.106 0.000 1.254 239 A CA 0.446 52.436 52.037 -0.079 0.000 0.858 239 A CB 0.062 18.996 19.000 -0.110 0.000 0.820 239 A HN 0.078 nan 8.150 nan 0.000 0.484 240 V N -2.074 117.808 119.914 -0.053 0.000 3.473 240 V HA 0.089 4.209 4.120 0.000 0.000 0.253 240 V C 2.511 178.629 176.094 0.041 0.000 1.340 240 V CA 0.947 63.241 62.300 -0.009 0.000 1.103 240 V CB 0.088 31.917 31.823 0.010 0.000 0.881 240 V HN 0.489 nan 8.190 nan 0.000 0.451 241 A N -0.103 122.730 122.820 0.023 0.000 2.067 241 A HA -0.076 4.244 4.320 0.000 0.000 0.219 241 A C 1.428 179.031 177.584 0.032 0.000 1.158 241 A CA 0.970 53.025 52.037 0.030 0.000 0.661 241 A CB -0.191 18.819 19.000 0.018 0.000 0.801 241 A HN 0.401 nan 8.150 nan 0.000 0.452 242 K N 0.084 120.499 120.400 0.024 0.000 2.285 242 K HA 0.428 4.748 4.320 0.000 0.000 0.286 242 K C 0.031 176.664 176.600 0.056 0.000 1.072 242 K CA 0.436 56.739 56.287 0.027 0.000 0.913 242 K CB 0.108 32.613 32.500 0.007 0.000 1.067 242 K HN 0.855 nan 8.250 nan 0.000 0.479 243 A N 3.125 125.985 122.820 0.066 0.000 2.971 243 A HA -0.124 4.196 4.320 0.000 0.000 0.280 243 A C 0.628 178.287 177.584 0.124 0.000 1.430 243 A CA 0.381 52.477 52.037 0.099 0.000 0.749 243 A CB -2.259 16.826 19.000 0.141 0.000 1.038 243 A HN 1.100 nan 8.150 nan 0.000 0.510 244 G N 0.313 109.164 108.800 0.085 0.000 2.526 244 G HA2 0.101 4.061 3.960 0.000 0.000 0.307 244 G HA3 0.101 4.061 3.960 0.000 0.000 0.307 244 G C 0.194 175.152 174.900 0.096 0.000 0.456 244 G CA 1.129 46.279 45.100 0.082 0.000 1.625 244 G HN 0.830 nan 8.290 nan 0.000 0.392 245 K N 2.947 123.444 120.400 0.161 0.000 2.425 245 K HA 0.258 4.578 4.320 0.000 0.000 0.259 245 K C -2.106 174.604 176.600 0.184 0.000 0.978 245 K CA -1.807 54.566 56.287 0.143 0.000 0.883 245 K CB 2.424 34.998 32.500 0.124 0.000 1.110 245 K HN 0.191 nan 8.250 nan 0.000 0.436 246 P HA -0.135 nan 4.420 nan 0.000 0.268 246 P C -0.797 176.588 177.300 0.141 0.000 1.189 246 P CA -0.251 62.911 63.100 0.104 0.000 0.771 246 P CB 0.624 32.363 31.700 0.064 0.000 0.822 247 L N 2.446 123.745 121.223 0.126 0.000 2.354 247 L HA 0.602 4.942 4.340 0.000 0.000 0.269 247 L C -1.213 175.702 176.870 0.075 0.000 1.005 247 L CA -1.082 53.839 54.840 0.135 0.000 0.819 247 L CB 1.632 43.763 42.059 0.120 0.000 1.311 247 L HN 0.219 nan 8.230 nan 0.000 0.423 248 L N 5.258 126.527 121.223 0.076 0.000 2.305 248 L HA 0.615 4.955 4.340 0.000 0.000 0.284 248 L C -1.241 175.652 176.870 0.039 0.000 1.013 248 L CA -0.195 54.665 54.840 0.034 0.000 0.819 248 L CB 1.239 43.327 42.059 0.048 0.000 1.227 248 L HN 0.424 nan 8.230 nan 0.000 0.417 249 I N 6.905 127.479 120.570 0.007 0.000 2.339 249 I HA 0.356 4.526 4.170 0.000 0.000 0.290 249 I C -0.258 175.875 176.117 0.026 0.000 0.994 249 I CA -0.247 61.063 61.300 0.018 0.000 1.191 249 I CB 1.246 39.252 38.000 0.011 0.000 1.343 249 I HN 0.564 nan 8.210 nan 0.000 0.458 250 I N 5.714 126.304 120.570 0.034 0.000 2.410 250 I HA 0.653 4.823 4.170 0.000 0.000 0.286 250 I C -0.019 176.104 176.117 0.010 0.000 1.009 250 I CA -0.237 61.083 61.300 0.033 0.000 1.111 250 I CB 1.808 39.825 38.000 0.028 0.000 1.262 250 I HN 0.711 nan 8.210 nan 0.000 0.443 251 A N 4.505 127.333 122.820 0.014 0.000 2.602 251 A HA 0.380 4.700 4.320 0.000 0.000 0.290 251 A C 0.652 178.245 177.584 0.015 0.000 1.114 251 A CA -0.559 51.484 52.037 0.010 0.000 0.683 251 A CB 1.420 20.430 19.000 0.017 0.000 1.281 251 A HN 0.754 nan 8.150 nan 0.000 0.416 252 E N -0.457 119.752 120.200 0.015 0.000 2.169 252 E HA -0.199 4.151 4.350 0.000 0.000 0.202 252 E C -0.046 176.576 176.600 0.038 0.000 1.016 252 E CA 2.102 58.518 56.400 0.026 0.000 0.817 252 E CB 0.070 29.786 29.700 0.028 0.000 0.736 252 E HN 0.632 nan 8.360 nan 0.000 0.462 253 D N -2.687 117.737 120.400 0.039 0.000 2.983 253 D HA 0.102 4.742 4.640 0.000 0.000 0.269 253 D C -2.052 174.278 176.300 0.050 0.000 1.121 253 D CA -0.421 53.608 54.000 0.048 0.000 0.724 253 D CB 1.267 42.096 40.800 0.048 0.000 1.381 253 D HN -0.117 nan 8.370 nan 0.000 0.442 254 V N 2.156 122.108 119.914 0.063 0.000 2.443 254 V HA 0.494 4.614 4.120 0.000 0.000 0.293 254 V C -0.377 175.762 176.094 0.075 0.000 1.021 254 V CA -0.606 61.736 62.300 0.070 0.000 0.848 254 V CB 1.579 33.455 31.823 0.087 0.000 0.998 254 V HN 0.426 nan 8.190 nan 0.000 0.424 255 E N 2.675 122.911 120.200 0.060 0.000 2.202 255 E HA 0.521 4.871 4.350 0.000 0.000 0.272 255 E C 1.276 177.906 176.600 0.050 0.000 0.951 255 E CA -0.212 56.221 56.400 0.054 0.000 0.813 255 E CB 1.948 31.673 29.700 0.042 0.000 1.151 255 E HN 0.710 nan 8.360 nan 0.000 0.398 256 G N 2.542 111.370 108.800 0.046 0.000 3.359 256 G HA2 -0.477 3.483 3.960 0.000 0.000 0.338 256 G HA3 -0.477 3.483 3.960 0.000 0.000 0.338 256 G C 1.281 176.197 174.900 0.027 0.000 1.486 256 G CA 1.669 46.790 45.100 0.034 0.000 1.570 256 G HN 0.669 nan 8.290 nan 0.000 1.093 257 E N 1.120 121.334 120.200 0.023 0.000 2.012 257 E HA -0.151 4.199 4.350 0.000 0.000 0.211 257 E C 2.975 179.587 176.600 0.020 0.000 1.029 257 E CA 1.962 58.371 56.400 0.016 0.000 0.867 257 E CB -0.946 28.763 29.700 0.015 0.000 0.790 257 E HN 0.592 nan 8.360 nan 0.000 0.482 258 A N 0.644 123.482 122.820 0.029 0.000 2.121 258 A HA -0.119 4.202 4.320 0.000 0.000 0.218 258 A C 2.130 179.749 177.584 0.058 0.000 1.154 258 A CA 1.233 53.293 52.037 0.038 0.000 0.679 258 A CB -0.409 18.614 19.000 0.039 0.000 0.795 258 A HN 0.350 nan 8.150 nan 0.000 0.458 259 L N -0.460 120.802 121.223 0.066 0.000 2.049 259 L HA 0.143 4.483 4.340 0.000 0.000 0.203 259 L C 2.543 179.450 176.870 0.062 0.000 1.074 259 L CA 2.209 57.110 54.840 0.103 0.000 0.749 259 L CB -1.080 41.045 42.059 0.110 0.000 0.907 259 L HN 0.251 nan 8.230 nan 0.000 0.439 260 A N -1.499 121.331 122.820 0.017 0.000 2.019 260 A HA -0.161 4.159 4.320 0.000 0.000 0.219 260 A C 2.201 179.750 177.584 -0.059 0.000 1.164 260 A CA 2.006 54.019 52.037 -0.041 0.000 0.644 260 A CB -1.182 17.795 19.000 -0.038 0.000 0.805 260 A HN 0.532 nan 8.150 nan 0.000 0.449 261 T N 0.315 114.858 114.554 -0.020 0.000 2.833 261 T HA -0.066 4.284 4.350 0.000 0.000 0.269 261 T C 1.691 176.382 174.700 -0.015 0.000 1.054 261 T CA 1.436 63.525 62.100 -0.018 0.000 1.135 261 T CB -0.284 68.586 68.868 0.004 0.000 0.869 261 T HN 0.415 nan 8.240 nan 0.000 0.466 262 L N 0.442 121.676 121.223 0.018 0.000 2.127 262 L HA 0.041 4.381 4.340 0.000 0.000 0.203 262 L C 2.493 179.322 176.870 -0.068 0.000 1.080 262 L CA 0.524 55.399 54.840 0.059 0.000 0.768 262 L CB -0.496 41.694 42.059 0.218 0.000 0.924 262 L HN 0.104 nan 8.230 nan 0.000 0.444 263 V N -0.508 119.278 119.914 -0.215 0.000 2.828 263 V HA -0.216 3.904 4.120 0.000 0.000 0.260 263 V C 2.282 178.169 176.094 -0.345 0.000 1.101 263 V CA 1.033 63.052 62.300 -0.469 0.000 1.123 263 V CB -0.493 31.056 31.823 -0.456 0.000 0.704 263 V HN 0.190 nan 8.190 nan 0.000 0.493 264 V N 0.535 120.323 119.914 -0.210 0.000 2.249 264 V HA -0.193 3.927 4.120 0.000 0.000 0.239 264 V C 2.066 178.092 176.094 -0.114 0.000 1.038 264 V CA 2.229 64.430 62.300 -0.166 0.000 1.005 264 V CB -0.796 30.961 31.823 -0.110 0.000 0.646 264 V HN 0.566 nan 8.190 nan 0.000 0.455 265 N N 0.526 119.188 118.700 -0.062 0.000 2.322 265 N HA -0.200 4.540 4.740 0.000 0.000 0.189 265 N C 1.534 177.036 175.510 -0.013 0.000 1.012 265 N CA 1.692 54.728 53.050 -0.024 0.000 0.880 265 N CB -0.153 38.339 38.487 0.008 0.000 0.967 265 N HN 0.706 nan 8.380 nan 0.000 0.439 266 T N -2.674 111.861 114.554 -0.032 0.000 3.129 266 T HA 0.145 4.495 4.350 0.000 0.000 0.251 266 T C 1.468 176.151 174.700 -0.028 0.000 1.117 266 T CA 0.211 62.311 62.100 -0.001 0.000 1.034 266 T CB 0.245 69.127 68.868 0.023 0.000 0.968 266 T HN -0.004 nan 8.240 nan 0.000 0.526 267 M N 0.317 119.878 119.600 -0.064 0.000 2.730 267 M HA 0.453 4.933 4.480 0.000 0.000 0.258 267 M C 1.982 178.258 176.300 -0.040 0.000 1.279 267 M CA 0.527 55.791 55.300 -0.059 0.000 1.183 267 M CB 0.391 32.924 32.600 -0.112 0.000 1.291 267 M HN -0.028 nan 8.290 nan 0.000 0.518 268 R N -0.165 120.310 120.500 -0.042 0.000 2.319 268 R HA 0.241 4.581 4.340 0.000 0.000 0.204 268 R C 1.055 177.347 176.300 -0.013 0.000 0.954 268 R CA 0.653 56.736 56.100 -0.029 0.000 1.066 268 R CB -0.333 29.948 30.300 -0.032 0.000 0.991 268 R HN 0.595 nan 8.270 nan 0.000 0.486 269 G N 1.794 110.590 108.800 -0.006 0.000 2.205 269 G HA2 -0.303 3.657 3.960 0.000 0.000 0.269 269 G HA3 -0.303 3.657 3.960 0.000 0.000 0.269 269 G C 0.395 175.302 174.900 0.012 0.000 0.977 269 G CA 0.326 45.430 45.100 0.007 0.000 0.652 269 G HN 0.376 nan 8.290 nan 0.000 0.539 270 I N 1.397 121.972 120.570 0.007 0.000 2.349 270 I HA 0.342 4.512 4.170 0.000 0.000 0.302 270 I C 0.692 176.822 176.117 0.023 0.000 1.180 270 I CA -0.292 61.015 61.300 0.011 0.000 1.405 270 I CB 0.007 38.010 38.000 0.004 0.000 1.474 270 I HN 0.089 nan 8.210 nan 0.000 0.632 271 V N 4.906 124.839 119.914 0.032 0.000 3.497 271 V HA -0.220 3.900 4.120 0.000 0.000 0.484 271 V C 0.264 176.396 176.094 0.062 0.000 0.682 271 V CA 0.254 62.582 62.300 0.047 0.000 2.014 271 V CB -1.185 30.664 31.823 0.044 0.000 2.451 271 V HN 0.972 nan 8.190 nan 0.000 0.502 272 K N 5.023 125.466 120.400 0.073 0.000 2.211 272 K HA 0.843 5.163 4.320 0.000 0.000 0.275 272 K C -0.358 176.314 176.600 0.120 0.000 1.024 272 K CA -0.502 55.845 56.287 0.099 0.000 0.887 272 K CB 2.415 34.967 32.500 0.086 0.000 1.084 272 K HN 1.001 nan 8.250 nan 0.000 0.463 273 V N -1.579 118.438 119.914 0.172 0.000 3.156 273 V HA 0.957 5.077 4.120 0.000 0.000 0.310 273 V C -1.156 175.020 176.094 0.137 0.000 1.234 273 V CA -1.065 61.316 62.300 0.135 0.000 1.065 273 V CB 1.507 33.399 31.823 0.116 0.000 1.088 273 V HN 1.036 nan 8.190 nan 0.000 0.451 274 A N -0.008 122.722 122.820 -0.150 0.000 2.540 274 A HA 1.006 5.326 4.320 0.000 0.000 0.297 274 A C -0.594 176.672 177.584 -0.531 0.000 1.056 274 A CA -0.066 51.513 52.037 -0.765 0.000 0.700 274 A CB 1.302 20.023 19.000 -0.465 0.000 1.280 274 A HN 2.518 nan 8.150 nan 0.000 0.398 275 A N 0.968 123.373 122.820 -0.692 0.000 2.401 275 A HA 0.916 5.237 4.320 0.000 0.000 0.310 275 A C -0.325 177.169 177.584 -0.150 0.000 1.075 275 A CA -0.115 51.772 52.037 -0.250 0.000 0.746 275 A CB 1.452 20.387 19.000 -0.107 0.000 1.277 275 A HN 2.295 nan 8.150 nan 0.000 0.425 276 V N -0.963 118.943 119.914 -0.014 0.000 2.962 276 V HA 0.655 4.775 4.120 0.000 0.000 0.313 276 V C -0.312 175.841 176.094 0.099 0.000 1.099 276 V CA -1.147 61.190 62.300 0.061 0.000 0.971 276 V CB 1.535 33.418 31.823 0.099 0.000 1.028 276 V HN 0.961 nan 8.190 nan 0.000 0.430 277 K N 2.320 122.781 120.400 0.102 0.000 2.350 277 K HA 0.621 4.941 4.320 0.000 0.000 0.279 277 K C 0.601 177.258 176.600 0.094 0.000 1.027 277 K CA 0.363 56.702 56.287 0.087 0.000 0.969 277 K CB 0.960 33.506 32.500 0.077 0.000 0.954 277 K HN 1.264 nan 8.250 nan 0.000 0.474 278 A N 5.751 128.590 122.820 0.032 0.000 2.577 278 A HA 0.113 4.433 4.320 0.000 0.000 0.233 278 A C -2.125 175.433 177.584 -0.043 0.000 1.076 278 A CA -0.702 51.301 52.037 -0.056 0.000 0.767 278 A CB -0.467 18.496 19.000 -0.062 0.000 1.017 278 A HN 0.637 nan 8.150 nan 0.000 0.511 279 P HA 0.407 nan 4.420 nan 0.000 0.279 279 P C 0.682 177.983 177.300 0.002 0.000 1.239 279 P CA 1.289 64.345 63.100 -0.073 0.000 0.789 279 P CB 0.769 32.311 31.700 -0.263 0.000 0.933 280 G N 2.505 111.360 108.800 0.092 0.000 2.682 280 G HA2 -0.114 3.846 3.960 0.000 0.000 0.256 280 G HA3 -0.114 3.846 3.960 0.000 0.000 0.256 280 G C -0.755 174.305 174.900 0.266 0.000 1.333 280 G CA 0.272 45.480 45.100 0.179 0.000 0.904 280 G HN 0.773 nan 8.290 nan 0.000 0.569 281 F N -2.298 117.656 119.950 0.006 0.000 2.662 281 F HA 0.811 5.338 4.527 0.000 0.000 0.312 281 F C 0.708 176.513 175.800 0.009 0.000 1.113 281 F CA 0.148 58.152 58.000 0.007 0.000 0.951 281 F CB 1.093 40.103 39.000 0.016 0.000 1.344 281 F HN 2.563 nan 8.300 nan 0.000 0.462 282 G N 1.612 110.314 108.800 -0.164 0.000 2.642 282 G HA2 -0.227 3.733 3.960 0.000 0.000 0.231 282 G HA3 -0.227 3.733 3.960 0.000 0.000 0.231 282 G C 0.046 174.835 174.900 -0.186 0.000 1.338 282 G CA 0.147 45.087 45.100 -0.267 0.000 0.883 282 G HN 0.922 nan 8.290 nan 0.000 0.570 283 D N 0.346 120.643 120.400 -0.171 0.000 2.265 283 D HA -0.086 4.554 4.640 0.000 0.000 0.208 283 D C 2.494 178.722 176.300 -0.121 0.000 0.977 283 D CA 1.417 55.348 54.000 -0.114 0.000 0.871 283 D CB -0.063 40.682 40.800 -0.092 0.000 0.925 283 D HN 0.532 nan 8.370 nan 0.000 0.485 284 R N 0.449 120.846 120.500 -0.172 0.000 2.057 284 R HA 0.036 4.376 4.340 0.000 0.000 0.229 284 R C 2.418 178.650 176.300 -0.113 0.000 1.136 284 R CA 0.345 56.358 56.100 -0.145 0.000 0.952 284 R CB -0.237 29.956 30.300 -0.178 0.000 0.848 284 R HN 0.056 nan 8.270 nan 0.000 0.430 285 R N 1.936 122.370 120.500 -0.110 0.000 2.103 285 R HA -0.188 4.152 4.340 0.000 0.000 0.242 285 R C 1.798 178.054 176.300 -0.074 0.000 1.142 285 R CA 1.818 57.875 56.100 -0.072 0.000 0.960 285 R CB -0.049 30.235 30.300 -0.026 0.000 0.858 285 R HN 0.158 nan 8.270 nan 0.000 0.439 286 K N -0.427 119.933 120.400 -0.067 0.000 2.097 286 K HA -0.114 4.206 4.320 0.000 0.000 0.206 286 K C 2.051 178.615 176.600 -0.060 0.000 1.049 286 K CA 1.520 57.773 56.287 -0.056 0.000 0.933 286 K CB -0.108 32.363 32.500 -0.048 0.000 0.717 286 K HN 0.240 nan 8.250 nan 0.000 0.442 287 A N 0.931 123.710 122.820 -0.068 0.000 1.930 287 A HA -0.060 4.260 4.320 0.000 0.000 0.215 287 A C 2.063 179.605 177.584 -0.070 0.000 1.176 287 A CA 1.024 53.024 52.037 -0.063 0.000 0.632 287 A CB -0.315 18.646 19.000 -0.064 0.000 0.819 287 A HN 0.145 nan 8.150 nan 0.000 0.445 288 M N -0.480 119.069 119.600 -0.085 0.000 2.229 288 M HA -0.063 4.417 4.480 0.000 0.000 0.264 288 M C 2.015 178.241 176.300 -0.123 0.000 1.063 288 M CA 1.051 56.289 55.300 -0.103 0.000 1.114 288 M CB -0.468 32.059 32.600 -0.122 0.000 1.387 288 M HN 0.380 nan 8.290 nan 0.000 0.420 289 L N -0.211 120.943 121.223 -0.115 0.000 2.017 289 L HA -0.250 4.090 4.340 0.000 0.000 0.208 289 L C 2.634 179.458 176.870 -0.076 0.000 1.073 289 L CA 1.382 56.156 54.840 -0.111 0.000 0.745 289 L CB -0.631 41.379 42.059 -0.083 0.000 0.894 289 L HN 0.292 nan 8.230 nan 0.000 0.432 290 Q N 0.468 120.233 119.800 -0.058 0.000 2.135 290 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 290 Q C 1.561 177.539 176.000 -0.037 0.000 0.981 290 Q CA 1.989 57.767 55.803 -0.040 0.000 0.856 290 Q CB -0.174 28.543 28.738 -0.035 0.000 0.902 290 Q HN 0.415 nan 8.270 nan 0.000 0.425 291 D N -0.400 119.972 120.400 -0.047 0.000 2.087 291 D HA -0.164 4.476 4.640 0.000 0.000 0.192 291 D C 1.796 178.079 176.300 -0.028 0.000 0.993 291 D CA 1.653 55.631 54.000 -0.037 0.000 0.828 291 D CB -0.298 40.476 40.800 -0.044 0.000 0.968 291 D HN 0.329 nan 8.370 nan 0.000 0.448 292 I N 0.847 121.390 120.570 -0.046 0.000 2.248 292 I HA -0.322 3.848 4.170 0.000 0.000 0.248 292 I C 2.369 178.483 176.117 -0.005 0.000 1.107 292 I CA 1.125 62.411 61.300 -0.024 0.000 1.373 292 I CB -0.331 37.629 38.000 -0.066 0.000 1.055 292 I HN -0.026 nan 8.210 nan 0.000 0.418 293 A N 0.449 123.261 122.820 -0.014 0.000 1.877 293 A HA -0.214 4.106 4.320 0.000 0.000 0.216 293 A C 2.402 179.989 177.584 0.005 0.000 1.186 293 A CA 2.546 54.583 52.037 -0.001 0.000 0.620 293 A CB -1.108 17.887 19.000 -0.008 0.000 0.822 293 A HN 0.372 nan 8.150 nan 0.000 0.443 294 T N 0.417 114.970 114.554 -0.001 0.000 2.674 294 T HA -0.120 4.230 4.350 0.000 0.000 0.265 294 T C 1.828 176.532 174.700 0.007 0.000 1.039 294 T CA 1.286 63.387 62.100 0.001 0.000 1.150 294 T CB -0.380 68.485 68.868 -0.004 0.000 0.864 294 T HN 0.307 nan 8.240 nan 0.000 0.427 295 L N 2.067 123.295 121.223 0.007 0.000 2.261 295 L HA -0.077 4.263 4.340 0.000 0.000 0.216 295 L C 1.823 178.704 176.870 0.018 0.000 1.114 295 L CA 2.117 56.965 54.840 0.013 0.000 0.777 295 L CB -1.131 40.938 42.059 0.018 0.000 0.910 295 L HN 0.481 nan 8.230 nan 0.000 0.440 296 T N -3.707 110.860 114.554 0.022 0.000 3.182 296 T HA 0.375 4.725 4.350 0.000 0.000 0.277 296 T C 0.872 175.591 174.700 0.032 0.000 1.013 296 T CA 0.142 62.258 62.100 0.028 0.000 0.900 296 T CB -0.203 68.689 68.868 0.040 0.000 1.098 296 T HN 0.514 nan 8.240 nan 0.000 0.543 297 G N 0.002 108.818 108.800 0.026 0.000 2.402 297 G HA2 0.374 4.334 3.960 0.000 0.000 0.206 297 G HA3 0.374 4.334 3.960 0.000 0.000 0.206 297 G C 0.263 175.189 174.900 0.044 0.000 0.637 297 G CA -0.155 44.964 45.100 0.030 0.000 0.974 297 G HN 1.633 nan 8.290 nan 0.000 0.308 298 G N 0.307 109.127 108.800 0.034 0.000 2.317 298 G HA2 0.953 4.913 3.960 0.000 0.000 0.293 298 G HA3 0.953 4.913 3.960 0.000 0.000 0.293 298 G C -0.480 174.432 174.900 0.019 0.000 1.287 298 G CA 0.514 45.636 45.100 0.036 0.000 0.850 298 G HN 2.227 nan 8.290 nan 0.000 0.515 299 T N -2.135 112.428 114.554 0.014 0.000 2.903 299 T HA 0.749 5.099 4.350 0.000 0.000 0.299 299 T C 0.101 174.801 174.700 -0.000 0.000 1.093 299 T CA -0.176 61.926 62.100 0.004 0.000 1.002 299 T CB 1.349 70.218 68.868 0.001 0.000 1.127 299 T HN 1.880 nan 8.240 nan 0.000 0.488 300 V N 0.047 119.957 119.914 -0.006 0.000 2.775 300 V HA 0.601 4.722 4.120 0.000 0.000 0.299 300 V C -0.084 176.004 176.094 -0.009 0.000 1.062 300 V CA -0.797 61.496 62.300 -0.010 0.000 1.063 300 V CB 0.129 31.942 31.823 -0.018 0.000 0.994 300 V HN 0.892 nan 8.190 nan 0.000 0.483 301 I N 4.434 124.999 120.570 -0.009 0.000 2.388 301 I HA 0.417 4.587 4.170 0.000 0.000 0.281 301 I C 0.134 176.246 176.117 -0.007 0.000 1.046 301 I CA -0.057 61.238 61.300 -0.008 0.000 1.187 301 I CB 1.233 39.229 38.000 -0.007 0.000 1.351 301 I HN 0.875 nan 8.210 nan 0.000 0.472 302 S N 2.677 118.373 115.700 -0.008 0.000 2.482 302 S HA 0.402 4.872 4.470 0.000 0.000 0.303 302 S C 0.549 175.146 174.600 -0.005 0.000 1.091 302 S CA -0.852 57.343 58.200 -0.007 0.000 1.057 302 S CB 2.082 65.276 63.200 -0.010 0.000 1.031 302 S HN 0.590 nan 8.310 nan 0.000 0.485 303 E N 1.671 121.869 120.200 -0.003 0.000 2.209 303 E HA -0.183 4.167 4.350 0.000 0.000 0.196 303 E C 1.192 177.790 176.600 -0.003 0.000 0.993 303 E CA 1.190 57.589 56.400 -0.002 0.000 0.819 303 E CB -0.182 29.518 29.700 0.001 0.000 0.745 303 E HN 0.810 nan 8.360 nan 0.000 0.477 304 E N 0.195 120.393 120.200 -0.004 0.000 2.339 304 E HA -0.181 4.169 4.350 0.000 0.000 0.201 304 E C 0.874 177.471 176.600 -0.005 0.000 1.015 304 E CA 0.741 57.138 56.400 -0.005 0.000 0.841 304 E CB -0.028 29.667 29.700 -0.007 0.000 0.754 304 E HN 0.378 nan 8.360 nan 0.000 0.508 305 I N -0.890 119.677 120.570 -0.005 0.000 3.171 305 I HA 0.190 4.360 4.170 0.000 0.000 0.329 305 I C 0.911 177.025 176.117 -0.004 0.000 1.522 305 I CA -0.131 61.166 61.300 -0.005 0.000 0.948 305 I CB 0.922 38.919 38.000 -0.006 0.000 1.527 305 I HN 0.110 nan 8.210 nan 0.000 0.547 306 G N 1.675 110.473 108.800 -0.004 0.000 2.302 306 G HA2 -0.343 3.617 3.960 0.000 0.000 0.263 306 G HA3 -0.343 3.617 3.960 0.000 0.000 0.263 306 G C 0.581 175.479 174.900 -0.004 0.000 0.995 306 G CA 0.134 45.232 45.100 -0.003 0.000 0.622 306 G HN 0.396 nan 8.290 nan 0.000 0.538 307 M N 1.329 120.926 119.600 -0.005 0.000 2.261 307 M HA 0.248 4.728 4.480 0.000 0.000 0.350 307 M C 0.648 176.946 176.300 -0.005 0.000 1.343 307 M CA 1.066 56.363 55.300 -0.005 0.000 1.003 307 M CB 0.233 32.829 32.600 -0.006 0.000 1.848 307 M HN 0.315 nan 8.290 nan 0.000 0.456 308 E N 2.340 122.537 120.200 -0.005 0.000 2.264 308 E HA 0.300 4.650 4.350 0.000 0.000 0.260 308 E C 0.336 176.931 176.600 -0.007 0.000 0.961 308 E CA -0.712 55.685 56.400 -0.005 0.000 0.834 308 E CB 1.636 31.334 29.700 -0.004 0.000 1.230 308 E HN 0.667 nan 8.360 nan 0.000 0.412 309 L N 1.060 122.279 121.223 -0.006 0.000 2.465 309 L HA -0.125 4.215 4.340 0.000 0.000 0.224 309 L C 1.485 178.346 176.870 -0.013 0.000 1.145 309 L CA 0.827 55.661 54.840 -0.009 0.000 0.834 309 L CB -0.195 41.861 42.059 -0.006 0.000 0.944 309 L HN 0.457 nan 8.230 nan 0.000 0.451 310 E N 0.305 120.498 120.200 -0.012 0.000 2.140 310 E HA -0.063 4.287 4.350 0.000 0.000 0.191 310 E C 1.225 177.815 176.600 -0.016 0.000 0.973 310 E CA 0.698 57.090 56.400 -0.014 0.000 0.829 310 E CB 0.067 29.761 29.700 -0.010 0.000 0.781 310 E HN 0.225 nan 8.360 nan 0.000 0.466 311 K N 0.655 121.047 120.400 -0.013 0.000 2.836 311 K HA 0.274 4.594 4.320 0.000 0.000 0.236 311 K C -0.442 176.148 176.600 -0.016 0.000 1.015 311 K CA 0.016 56.295 56.287 -0.013 0.000 1.194 311 K CB 0.243 32.737 32.500 -0.010 0.000 1.002 311 K HN -0.039 nan 8.250 nan 0.000 0.479 312 A N 1.080 123.887 122.820 -0.022 0.000 2.340 312 A HA 0.274 4.594 4.320 0.000 0.000 0.297 312 A C 0.731 178.291 177.584 -0.040 0.000 1.195 312 A CA -0.814 51.207 52.037 -0.028 0.000 0.769 312 A CB 0.554 19.538 19.000 -0.028 0.000 1.163 312 A HN 0.273 nan 8.150 nan 0.000 0.472 313 T N 0.887 115.417 114.554 -0.040 0.000 5.570 313 T HA 0.203 4.553 4.350 0.000 0.000 0.280 313 T C 1.185 175.835 174.700 -0.083 0.000 0.813 313 T CA 1.225 63.295 62.100 -0.051 0.000 1.702 313 T CB -0.214 68.632 68.868 -0.036 0.000 1.406 313 T HN 0.346 nan 8.240 nan 0.000 0.284 314 L N -0.589 120.581 121.223 -0.088 0.000 2.806 314 L HA 0.373 4.713 4.340 0.000 0.000 0.242 314 L C 2.539 179.360 176.870 -0.081 0.000 1.068 314 L CA 0.222 54.972 54.840 -0.151 0.000 0.923 314 L CB 0.090 42.041 42.059 -0.181 0.000 1.364 314 L HN 0.441 nan 8.230 nan 0.000 0.511 315 E N 0.576 120.762 120.200 -0.024 0.000 2.418 315 E HA -0.182 4.168 4.350 0.000 0.000 0.197 315 E C 1.332 177.941 176.600 0.015 0.000 1.026 315 E CA 0.929 57.339 56.400 0.018 0.000 0.862 315 E CB 0.039 29.751 29.700 0.019 0.000 0.799 315 E HN 0.300 nan 8.360 nan 0.000 0.518 316 D N -0.357 120.038 120.400 -0.009 0.000 2.269 316 D HA -0.070 4.570 4.640 0.000 0.000 0.208 316 D C 0.427 176.729 176.300 0.004 0.000 0.963 316 D CA 0.197 54.194 54.000 -0.005 0.000 0.864 316 D CB 0.076 40.866 40.800 -0.017 0.000 0.936 316 D HN 0.195 nan 8.370 nan 0.000 0.505 317 L N 0.537 121.758 121.223 -0.003 0.000 2.453 317 L HA 0.377 4.717 4.340 0.000 0.000 0.261 317 L C 0.905 177.844 176.870 0.116 0.000 1.179 317 L CA 0.027 54.883 54.840 0.027 0.000 0.813 317 L CB 1.131 43.149 42.059 -0.067 0.000 1.110 317 L HN -0.114 nan 8.230 nan 0.000 0.466 318 G N 1.485 110.372 108.800 0.145 0.000 2.502 318 G HA2 0.522 4.482 3.960 0.000 0.000 0.305 318 G HA3 0.522 4.482 3.960 0.000 0.000 0.305 318 G C -1.392 173.636 174.900 0.213 0.000 1.190 318 G CA -0.272 44.914 45.100 0.144 0.000 0.933 318 G HN 0.703 nan 8.290 nan 0.000 0.503 319 Q N -0.970 118.892 119.800 0.104 0.000 2.378 319 Q HA 0.543 4.883 4.340 0.000 0.000 0.262 319 Q C -1.486 174.495 176.000 -0.033 0.000 0.978 319 Q CA -0.737 55.066 55.803 0.000 0.000 0.918 319 Q CB 1.862 30.569 28.738 -0.050 0.000 1.415 319 Q HN 0.987 nan 8.270 nan 0.000 0.409 320 A N 2.853 125.636 122.820 -0.062 0.000 2.556 320 A HA 0.421 4.741 4.320 0.000 0.000 0.294 320 A C -0.256 177.288 177.584 -0.067 0.000 1.091 320 A CA -0.622 51.389 52.037 -0.044 0.000 0.704 320 A CB 1.854 20.848 19.000 -0.010 0.000 1.300 320 A HN 0.818 nan 8.150 nan 0.000 0.406 321 K N -0.441 119.929 120.400 -0.051 0.000 2.362 321 K HA -0.017 4.303 4.320 0.000 0.000 0.200 321 K C 0.402 176.975 176.600 -0.045 0.000 1.046 321 K CA 1.252 57.507 56.287 -0.053 0.000 0.952 321 K CB -0.006 32.471 32.500 -0.038 0.000 0.753 321 K HN 0.598 nan 8.250 nan 0.000 0.466 322 R N -0.542 119.937 120.500 -0.035 0.000 3.513 322 R HA 0.077 4.417 4.340 0.000 0.000 0.243 322 R C -1.822 174.467 176.300 -0.019 0.000 1.033 322 R CA -0.517 55.567 56.100 -0.027 0.000 1.083 322 R CB 1.058 31.344 30.300 -0.023 0.000 1.246 322 R HN -0.039 nan 8.270 nan 0.000 0.526 323 V N 0.520 120.424 119.914 -0.016 0.000 3.001 323 V HA 0.937 5.057 4.120 0.000 0.000 0.314 323 V C -1.225 174.857 176.094 -0.021 0.000 1.099 323 V CA -0.645 61.644 62.300 -0.018 0.000 0.989 323 V CB 2.318 34.136 31.823 -0.009 0.000 1.040 323 V HN 0.431 nan 8.190 nan 0.000 0.434 324 V N 4.399 124.290 119.914 -0.038 0.000 2.567 324 V HA 0.547 4.667 4.120 0.000 0.000 0.298 324 V C -0.617 175.448 176.094 -0.048 0.000 1.047 324 V CA -0.145 62.138 62.300 -0.028 0.000 0.880 324 V CB 1.512 33.320 31.823 -0.025 0.000 1.009 324 V HN 0.856 nan 8.190 nan 0.000 0.429 325 I N 6.144 126.710 120.570 -0.007 0.000 2.436 325 I HA 0.525 4.695 4.170 0.000 0.000 0.289 325 I C 0.047 176.225 176.117 0.102 0.000 1.010 325 I CA -0.390 60.910 61.300 0.000 0.000 1.098 325 I CB 1.841 39.858 38.000 0.028 0.000 1.266 325 I HN 0.787 nan 8.210 nan 0.000 0.434 326 N N 5.897 124.613 118.700 0.027 0.000 2.992 326 N HA 0.257 4.997 4.740 0.000 0.000 0.338 326 N C 0.701 176.038 175.510 -0.289 0.000 1.376 326 N CA -0.745 52.352 53.050 0.078 0.000 0.778 326 N CB 0.797 39.304 38.487 0.034 0.000 1.232 326 N HN 0.444 nan 8.380 nan 0.000 0.581 327 K N -0.448 119.751 120.400 -0.335 0.000 2.147 327 K HA -0.161 4.159 4.320 0.000 0.000 0.205 327 K C -0.557 175.708 176.600 -0.558 0.000 1.049 327 K CA 2.234 58.081 56.287 -0.733 0.000 0.936 327 K CB -0.205 32.159 32.500 -0.226 0.000 0.722 327 K HN 0.713 nan 8.250 nan 0.000 0.446 328 D N -1.288 118.928 120.400 -0.306 0.000 2.996 328 D HA 0.119 4.759 4.640 0.000 0.000 0.343 328 D C -1.151 175.063 176.300 -0.144 0.000 1.574 328 D CA -0.474 53.408 54.000 -0.198 0.000 0.773 328 D CB 0.908 41.636 40.800 -0.119 0.000 1.241 328 D HN -0.154 nan 8.370 nan 0.000 0.469 329 T N -0.056 114.389 114.554 -0.182 0.000 3.705 329 T HA 0.401 4.751 4.350 0.000 0.000 0.342 329 T C -1.000 173.539 174.700 -0.268 0.000 1.043 329 T CA -0.447 61.540 62.100 -0.188 0.000 1.071 329 T CB 1.797 70.594 68.868 -0.118 0.000 1.124 329 T HN -0.059 nan 8.240 nan 0.000 0.467 330 T N 2.639 116.896 114.554 -0.496 0.000 2.794 330 T HA 0.701 5.051 4.350 0.000 0.000 0.280 330 T C -0.105 174.218 174.700 -0.628 0.000 0.987 330 T CA -0.554 61.166 62.100 -0.633 0.000 0.993 330 T CB 1.468 69.660 68.868 -1.126 0.000 0.939 330 T HN 0.634 nan 8.240 nan 0.000 0.449 331 T N 3.638 117.994 114.554 -0.331 0.000 3.050 331 T HA 0.537 4.887 4.350 0.000 0.000 0.310 331 T C -0.524 174.119 174.700 -0.095 0.000 0.978 331 T CA -0.685 61.298 62.100 -0.195 0.000 1.013 331 T CB -0.035 68.757 68.868 -0.127 0.000 1.000 331 T HN 0.479 nan 8.240 nan 0.000 0.447 332 I N 5.733 126.283 120.570 -0.034 0.000 2.395 332 I HA 0.430 4.600 4.170 0.000 0.000 0.289 332 I C -0.028 176.092 176.117 0.005 0.000 1.023 332 I CA -0.724 60.583 61.300 0.012 0.000 1.350 332 I CB 1.129 39.173 38.000 0.074 0.000 1.409 332 I HN 0.570 nan 8.210 nan 0.000 0.507 333 I N 5.648 126.216 120.570 -0.004 0.000 2.418 333 I HA 0.264 4.434 4.170 0.000 0.000 0.287 333 I C -0.665 175.446 176.117 -0.009 0.000 1.008 333 I CA -0.583 60.712 61.300 -0.008 0.000 1.104 333 I CB 1.445 39.436 38.000 -0.016 0.000 1.264 333 I HN 0.587 nan 8.210 nan 0.000 0.438 334 D N 4.907 125.303 120.400 -0.006 0.000 4.844 334 D HA -0.112 4.528 4.640 0.000 0.000 0.239 334 D C -0.261 176.035 176.300 -0.008 0.000 1.115 334 D CA 0.882 54.878 54.000 -0.008 0.000 1.241 334 D CB 0.135 40.926 40.800 -0.014 0.000 0.748 334 D HN 0.850 nan 8.370 nan 0.000 0.368 335 G N 1.756 110.555 108.800 -0.001 0.000 2.371 335 G HA2 0.485 4.445 3.960 0.000 0.000 0.326 335 G HA3 0.485 4.445 3.960 0.000 0.000 0.326 335 G C 1.212 176.111 174.900 -0.002 0.000 1.127 335 G CA -0.534 44.567 45.100 0.002 0.000 0.885 335 G HN 0.366 nan 8.290 nan 0.000 0.477 336 V N 2.197 122.109 119.914 -0.004 0.000 3.488 336 V HA 0.039 4.159 4.120 0.000 0.000 0.273 336 V C 1.941 178.039 176.094 0.006 0.000 1.209 336 V CA 0.583 62.882 62.300 -0.003 0.000 1.179 336 V CB -1.250 30.570 31.823 -0.004 0.000 0.842 336 V HN 0.755 nan 8.190 nan 0.000 0.515 337 G N 0.842 109.647 108.800 0.007 0.000 2.353 337 G HA2 0.123 4.083 3.960 0.000 0.000 0.239 337 G HA3 0.123 4.083 3.960 0.000 0.000 0.239 337 G C 0.040 174.944 174.900 0.006 0.000 1.295 337 G CA -0.363 44.742 45.100 0.009 0.000 0.884 337 G HN 0.334 nan 8.290 nan 0.000 0.537 338 E N 2.155 122.358 120.200 0.006 0.000 2.415 338 E HA -0.027 4.323 4.350 0.000 0.000 0.260 338 E C 1.332 177.934 176.600 0.002 0.000 1.016 338 E CA -0.078 56.324 56.400 0.004 0.000 0.924 338 E CB 0.749 30.451 29.700 0.004 0.000 0.961 338 E HN 0.614 nan 8.360 nan 0.000 0.459 339 E N 2.103 122.304 120.200 0.001 0.000 2.333 339 E HA -0.211 4.139 4.350 0.000 0.000 0.200 339 E C 1.269 177.869 176.600 -0.000 0.000 1.010 339 E CA 1.201 57.602 56.400 0.000 0.000 0.841 339 E CB -0.028 29.672 29.700 -0.001 0.000 0.757 339 E HN 0.504 nan 8.360 nan 0.000 0.508 340 A N 0.765 123.585 122.820 0.000 0.000 2.063 340 A HA 0.392 4.712 4.320 0.000 0.000 0.211 340 A C 2.293 179.877 177.584 -0.001 0.000 1.177 340 A CA 0.760 52.796 52.037 -0.001 0.000 0.759 340 A CB 0.067 19.067 19.000 -0.000 0.000 0.857 340 A HN 0.239 nan 8.150 nan 0.000 0.468 341 A N 0.284 123.104 122.820 0.000 0.000 1.898 341 A HA 0.081 4.401 4.320 0.000 0.000 0.214 341 A C 2.012 179.595 177.584 -0.002 0.000 1.183 341 A CA 1.194 53.231 52.037 -0.000 0.000 0.622 341 A CB -0.491 18.510 19.000 0.001 0.000 0.824 341 A HN 0.427 nan 8.150 nan 0.000 0.444 342 I N -0.684 119.885 120.570 -0.001 0.000 2.142 342 I HA -0.271 3.899 4.170 0.000 0.000 0.240 342 I C 2.725 178.840 176.117 -0.003 0.000 1.078 342 I CA 1.788 63.087 61.300 -0.001 0.000 1.343 342 I CB -0.338 37.663 38.000 0.000 0.000 1.046 342 I HN 0.357 nan 8.210 nan 0.000 0.405 343 Q N 1.468 121.266 119.800 -0.003 0.000 2.197 343 Q HA -0.167 4.173 4.340 0.000 0.000 0.207 343 Q C 1.971 177.968 176.000 -0.005 0.000 0.984 343 Q CA 2.061 57.862 55.803 -0.004 0.000 0.869 343 Q CB -0.724 28.012 28.738 -0.003 0.000 0.906 343 Q HN 0.511 nan 8.270 nan 0.000 0.426 344 G N -0.545 108.252 108.800 -0.005 0.000 2.448 344 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 344 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 344 G C 1.546 176.441 174.900 -0.007 0.000 1.135 344 G CA 0.615 45.712 45.100 -0.006 0.000 0.784 344 G HN 0.328 nan 8.290 nan 0.000 0.543 345 R N 0.416 120.911 120.500 -0.008 0.000 2.073 345 R HA 0.053 4.393 4.340 0.000 0.000 0.229 345 R C 2.438 178.731 176.300 -0.012 0.000 1.120 345 R CA 1.152 57.245 56.100 -0.011 0.000 0.967 345 R CB -0.879 29.415 30.300 -0.011 0.000 0.862 345 R HN 0.129 nan 8.270 nan 0.000 0.436 346 V N 1.373 121.281 119.914 -0.011 0.000 2.688 346 V HA -0.226 3.894 4.120 0.000 0.000 0.256 346 V C 2.263 178.350 176.094 -0.012 0.000 1.084 346 V CA 1.693 63.986 62.300 -0.011 0.000 1.103 346 V CB -1.005 30.813 31.823 -0.009 0.000 0.688 346 V HN 0.525 nan 8.190 nan 0.000 0.480 347 A N -0.486 122.328 122.820 -0.010 0.000 1.832 347 A HA -0.266 4.054 4.320 0.000 0.000 0.214 347 A C 2.192 179.769 177.584 -0.012 0.000 1.200 347 A CA 1.840 53.871 52.037 -0.010 0.000 0.610 347 A CB -0.548 18.447 19.000 -0.008 0.000 0.842 347 A HN 0.545 nan 8.150 nan 0.000 0.444 348 Q N -0.496 119.296 119.800 -0.013 0.000 2.096 348 Q HA -0.204 4.136 4.340 0.000 0.000 0.208 348 Q C 2.097 178.086 176.000 -0.018 0.000 0.993 348 Q CA 1.876 57.670 55.803 -0.015 0.000 0.862 348 Q CB -0.460 28.269 28.738 -0.016 0.000 0.915 348 Q HN 0.754 nan 8.270 nan 0.000 0.416 349 I N 0.119 120.677 120.570 -0.020 0.000 2.361 349 I HA -0.267 3.903 4.170 0.000 0.000 0.251 349 I C 2.200 178.303 176.117 -0.023 0.000 1.133 349 I CA 1.139 62.425 61.300 -0.024 0.000 1.413 349 I CB -0.245 37.740 38.000 -0.026 0.000 1.073 349 I HN 0.136 nan 8.210 nan 0.000 0.424 350 R N -0.012 120.477 120.500 -0.018 0.000 2.276 350 R HA -0.051 4.289 4.340 0.000 0.000 0.203 350 R C 2.208 178.499 176.300 -0.015 0.000 1.017 350 R CA 0.453 56.543 56.100 -0.016 0.000 1.010 350 R CB 0.077 30.369 30.300 -0.013 0.000 0.900 350 R HN 0.394 nan 8.270 nan 0.000 0.469 351 Q N 0.450 120.241 119.800 -0.015 0.000 2.089 351 Q HA -0.074 4.266 4.340 0.000 0.000 0.195 351 Q C 1.816 177.807 176.000 -0.015 0.000 0.963 351 Q CA 1.209 57.004 55.803 -0.013 0.000 0.834 351 Q CB 0.100 28.831 28.738 -0.012 0.000 0.906 351 Q HN 0.396 nan 8.270 nan 0.000 0.452 352 Q N 0.235 120.024 119.800 -0.019 0.000 2.368 352 Q HA -0.089 4.251 4.340 0.000 0.000 0.210 352 Q C 1.955 177.942 176.000 -0.023 0.000 0.982 352 Q CA 0.690 56.480 55.803 -0.021 0.000 0.884 352 Q CB -0.057 28.665 28.738 -0.027 0.000 0.933 352 Q HN 0.376 nan 8.270 nan 0.000 0.460 353 I N 0.317 120.874 120.570 -0.022 0.000 2.333 353 I HA -0.202 3.968 4.170 0.000 0.000 0.246 353 I C 2.061 178.169 176.117 -0.015 0.000 1.106 353 I CA 0.732 62.019 61.300 -0.022 0.000 1.411 353 I CB -0.102 37.885 38.000 -0.021 0.000 1.082 353 I HN 0.171 nan 8.210 nan 0.000 0.420 354 E N 1.277 121.469 120.200 -0.012 0.000 2.047 354 E HA -0.177 4.173 4.350 0.000 0.000 0.191 354 E C 1.224 177.819 176.600 -0.007 0.000 0.987 354 E CA 1.023 57.418 56.400 -0.009 0.000 0.799 354 E CB -0.376 29.319 29.700 -0.008 0.000 0.752 354 E HN 0.566 nan 8.360 nan 0.000 0.449 355 E N 0.983 121.177 120.200 -0.009 0.000 2.441 355 E HA 0.196 4.546 4.350 0.000 0.000 0.210 355 E C -0.325 176.271 176.600 -0.007 0.000 1.306 355 E CA -0.227 56.168 56.400 -0.007 0.000 1.307 355 E CB -0.034 29.661 29.700 -0.009 0.000 1.297 355 E HN 0.054 nan 8.360 nan 0.000 0.440 356 A N 1.549 124.365 122.820 -0.007 0.000 2.341 356 A HA 0.170 4.490 4.320 0.000 0.000 0.326 356 A C 0.844 178.429 177.584 0.003 0.000 1.402 356 A CA -0.772 51.262 52.037 -0.005 0.000 0.957 356 A CB 0.048 19.041 19.000 -0.011 0.000 1.151 356 A HN 0.201 nan 8.150 nan 0.000 0.533 357 T N -0.600 113.958 114.554 0.007 0.000 3.535 357 T HA 0.435 4.785 4.350 0.000 0.000 0.238 357 T C 0.337 175.049 174.700 0.021 0.000 0.909 357 T CA 0.362 62.468 62.100 0.011 0.000 0.928 357 T CB -0.755 68.118 68.868 0.010 0.000 1.134 357 T HN 0.813 nan 8.240 nan 0.000 0.627 358 S N -1.019 114.696 115.700 0.025 0.000 2.655 358 S HA 0.307 4.777 4.470 0.000 0.000 0.266 358 S C -0.586 174.040 174.600 0.044 0.000 1.149 358 S CA -0.479 57.746 58.200 0.043 0.000 0.818 358 S CB 1.445 64.686 63.200 0.067 0.000 1.130 358 S HN 0.269 nan 8.310 nan 0.000 0.476 359 D N -0.426 120.015 120.400 0.069 0.000 2.725 359 D HA 0.001 4.641 4.640 0.000 0.000 0.269 359 D C 1.577 177.929 176.300 0.087 0.000 1.018 359 D CA 0.532 54.570 54.000 0.063 0.000 0.956 359 D CB -0.247 40.591 40.800 0.064 0.000 1.141 359 D HN 0.528 nan 8.370 nan 0.000 0.478 360 Y N 2.393 122.695 120.300 0.003 0.000 2.081 360 Y HA -0.236 4.314 4.550 0.000 0.000 0.280 360 Y C 1.477 177.376 175.900 -0.001 0.000 1.163 360 Y CA 2.563 60.666 58.100 0.004 0.000 1.135 360 Y CB -0.638 37.826 38.460 0.007 0.000 0.970 360 Y HN -0.079 nan 8.280 nan 0.000 0.498 361 D N -0.454 119.947 120.400 0.002 0.000 2.315 361 D HA -0.181 4.459 4.640 0.000 0.000 0.211 361 D C 2.147 178.368 176.300 -0.131 0.000 0.977 361 D CA 1.366 55.305 54.000 -0.101 0.000 0.894 361 D CB -0.180 40.625 40.800 0.008 0.000 0.910 361 D HN 0.402 nan 8.370 nan 0.000 0.490 362 R N 0.351 120.795 120.500 -0.093 0.000 2.055 362 R HA 0.011 4.351 4.340 0.000 0.000 0.221 362 R C 1.872 178.113 176.300 -0.099 0.000 1.154 362 R CA 0.586 56.642 56.100 -0.073 0.000 0.975 362 R CB 0.105 30.386 30.300 -0.032 0.000 0.869 362 R HN 0.070 nan 8.270 nan 0.000 0.437 363 E N 0.542 120.681 120.200 -0.102 0.000 2.136 363 E HA -0.249 4.101 4.350 0.000 0.000 0.202 363 E C 1.913 178.431 176.600 -0.136 0.000 1.019 363 E CA 1.360 57.703 56.400 -0.095 0.000 0.819 363 E CB 0.063 29.721 29.700 -0.070 0.000 0.739 363 E HN 0.144 nan 8.360 nan 0.000 0.458 364 K N 0.465 120.718 120.400 -0.244 0.000 2.097 364 K HA -0.106 4.214 4.320 0.000 0.000 0.206 364 K C 2.127 178.642 176.600 -0.141 0.000 1.049 364 K CA 0.809 56.957 56.287 -0.231 0.000 0.933 364 K CB -0.296 31.983 32.500 -0.369 0.000 0.717 364 K HN 0.255 nan 8.250 nan 0.000 0.442 365 L N 0.827 121.974 121.223 -0.126 0.000 2.376 365 L HA -0.126 4.214 4.340 0.000 0.000 0.219 365 L C 2.349 179.183 176.870 -0.059 0.000 1.133 365 L CA 0.824 55.614 54.840 -0.083 0.000 0.816 365 L CB -0.221 41.795 42.059 -0.071 0.000 0.933 365 L HN 0.252 nan 8.230 nan 0.000 0.449 366 Q N -0.257 119.509 119.800 -0.058 0.000 2.163 366 Q HA -0.144 4.196 4.340 0.000 0.000 0.198 366 Q C 1.889 177.870 176.000 -0.032 0.000 0.954 366 Q CA 0.826 56.606 55.803 -0.038 0.000 0.851 366 Q CB 0.115 28.833 28.738 -0.032 0.000 0.928 366 Q HN 0.510 nan 8.270 nan 0.000 0.459 367 E N 0.723 120.900 120.200 -0.038 0.000 2.118 367 E HA -0.187 4.163 4.350 0.000 0.000 0.195 367 E C 2.065 178.654 176.600 -0.018 0.000 0.992 367 E CA 0.786 57.172 56.400 -0.024 0.000 0.804 367 E CB 0.051 29.735 29.700 -0.026 0.000 0.741 367 E HN 0.206 nan 8.360 nan 0.000 0.458 368 R N 0.262 120.744 120.500 -0.030 0.000 2.075 368 R HA -0.124 4.216 4.340 0.000 0.000 0.232 368 R C 2.649 178.939 176.300 -0.017 0.000 1.126 368 R CA 1.604 57.688 56.100 -0.026 0.000 0.963 368 R CB -0.431 29.846 30.300 -0.039 0.000 0.858 368 R HN 0.220 nan 8.270 nan 0.000 0.435 369 V N -1.972 117.931 119.914 -0.020 0.000 2.548 369 V HA -0.023 4.097 4.120 0.000 0.000 0.249 369 V C 2.316 178.406 176.094 -0.008 0.000 1.055 369 V CA 1.557 63.848 62.300 -0.014 0.000 1.065 369 V CB -0.915 30.899 31.823 -0.016 0.000 0.681 369 V HN 0.202 nan 8.190 nan 0.000 0.462 370 A N 0.908 123.724 122.820 -0.007 0.000 1.908 370 A HA -0.195 4.125 4.320 0.000 0.000 0.218 370 A C 2.344 179.930 177.584 0.004 0.000 1.181 370 A CA 2.345 54.380 52.037 -0.002 0.000 0.627 370 A CB -0.518 18.481 19.000 -0.002 0.000 0.818 370 A HN 0.636 nan 8.150 nan 0.000 0.445 371 K N -1.141 119.264 120.400 0.009 0.000 1.991 371 K HA -0.007 4.313 4.320 0.000 0.000 0.207 371 K C 1.758 178.368 176.600 0.017 0.000 1.045 371 K CA 1.174 57.473 56.287 0.020 0.000 0.937 371 K CB -0.428 32.093 32.500 0.035 0.000 0.720 371 K HN 0.322 nan 8.250 nan 0.000 0.438 372 L N 0.550 121.779 121.223 0.010 0.000 2.549 372 L HA -0.104 4.236 4.340 0.000 0.000 0.230 372 L C 1.602 178.475 176.870 0.004 0.000 1.162 372 L CA 1.274 56.118 54.840 0.007 0.000 0.834 372 L CB -0.273 41.785 42.059 -0.001 0.000 0.947 372 L HN 0.178 nan 8.230 nan 0.000 0.452 373 A N -2.280 120.541 122.820 0.002 0.000 2.074 373 A HA 0.377 4.697 4.320 0.000 0.000 0.200 373 A C 2.100 179.684 177.584 0.000 0.000 1.335 373 A CA 0.400 52.437 52.037 -0.000 0.000 0.922 373 A CB -0.636 18.362 19.000 -0.003 0.000 0.972 373 A HN 0.324 nan 8.150 nan 0.000 0.475 374 G N -0.126 108.675 108.800 0.002 0.000 2.534 374 G HA2 0.370 4.330 3.960 0.000 0.000 0.217 374 G HA3 0.370 4.330 3.960 0.000 0.000 0.217 374 G C 1.183 176.083 174.900 0.000 0.000 1.128 374 G CA 0.792 45.892 45.100 0.000 0.000 0.784 374 G HN 1.591 nan 8.290 nan 0.000 0.542 375 G N -1.376 107.426 108.800 0.003 0.000 2.633 375 G HA2 -0.075 3.885 3.960 0.000 0.000 0.263 375 G HA3 -0.075 3.885 3.960 0.000 0.000 0.263 375 G C -0.446 174.454 174.900 -0.000 0.000 1.310 375 G CA -0.050 45.051 45.100 0.003 0.000 0.914 375 G HN 1.032 nan 8.290 nan 0.000 0.569 376 V N 0.041 119.952 119.914 -0.004 0.000 2.709 376 V HA 0.758 4.878 4.120 0.000 0.000 0.308 376 V C 0.763 176.849 176.094 -0.013 0.000 1.062 376 V CA -0.173 62.121 62.300 -0.010 0.000 0.901 376 V CB 1.465 33.281 31.823 -0.011 0.000 1.003 376 V HN 2.076 nan 8.190 nan 0.000 0.425 377 A N 3.326 126.136 122.820 -0.017 0.000 2.354 377 A HA 0.748 5.068 4.320 0.000 0.000 0.269 377 A C -0.459 177.113 177.584 -0.020 0.000 1.109 377 A CA -0.318 51.709 52.037 -0.018 0.000 0.800 377 A CB 0.863 19.851 19.000 -0.020 0.000 1.045 377 A HN 0.918 nan 8.150 nan 0.000 0.489 378 V N 4.713 124.616 119.914 -0.017 0.000 2.443 378 V HA 0.198 4.318 4.120 0.000 0.000 0.272 378 V C -0.333 175.752 176.094 -0.015 0.000 1.002 378 V CA -0.071 62.219 62.300 -0.017 0.000 0.840 378 V CB 0.559 32.373 31.823 -0.015 0.000 1.042 378 V HN 0.757 nan 8.190 nan 0.000 0.446 379 I N 3.888 124.448 120.570 -0.017 0.000 2.496 379 I HA 0.264 4.434 4.170 0.000 0.000 0.285 379 I C 0.473 176.583 176.117 -0.012 0.000 1.080 379 I CA 0.108 61.400 61.300 -0.014 0.000 1.404 379 I CB 0.644 38.634 38.000 -0.016 0.000 1.403 379 I HN 0.439 nan 8.210 nan 0.000 0.539 380 K N 6.119 126.514 120.400 -0.009 0.000 2.473 380 K HA 0.377 4.697 4.320 0.000 0.000 0.246 380 K C -0.940 175.657 176.600 -0.006 0.000 1.011 380 K CA -0.656 55.627 56.287 -0.008 0.000 0.984 380 K CB 1.613 34.108 32.500 -0.008 0.000 1.250 380 K HN 0.336 nan 8.250 nan 0.000 0.454 381 V N 2.329 122.240 119.914 -0.005 0.000 2.557 381 V HA 0.059 4.179 4.120 0.000 0.000 0.301 381 V C 0.965 177.057 176.094 -0.003 0.000 1.026 381 V CA 0.027 62.325 62.300 -0.004 0.000 1.137 381 V CB 0.574 32.396 31.823 -0.002 0.000 0.917 381 V HN 0.855 nan 8.190 nan 0.000 0.484 382 G N 2.905 111.703 108.800 -0.003 0.000 2.420 382 G HA2 0.831 4.791 3.960 0.000 0.000 0.331 382 G HA3 0.831 4.791 3.960 0.000 0.000 0.331 382 G C -0.520 174.379 174.900 -0.002 0.000 1.168 382 G CA 0.063 45.161 45.100 -0.003 0.000 0.936 382 G HN 1.180 nan 8.290 nan 0.000 0.479 383 A N -0.102 122.717 122.820 -0.002 0.000 2.529 383 A HA 0.846 5.166 4.320 0.000 0.000 0.296 383 A C 0.878 178.461 177.584 -0.002 0.000 1.205 383 A CA 0.394 52.430 52.037 -0.002 0.000 0.671 383 A CB 0.564 19.563 19.000 -0.001 0.000 1.301 383 A HN 1.722 nan 8.150 nan 0.000 0.450 384 A N -0.858 121.961 122.820 -0.001 0.000 1.943 384 A HA 0.450 4.770 4.320 0.000 0.000 0.213 384 A C 1.243 178.826 177.584 -0.001 0.000 1.181 384 A CA 2.186 54.223 52.037 -0.001 0.000 0.653 384 A CB -0.545 18.454 19.000 -0.001 0.000 0.833 384 A HN 1.934 nan 8.150 nan 0.000 0.451 385 T N -4.515 110.038 114.554 -0.001 0.000 2.907 385 T HA 0.458 4.808 4.350 0.000 0.000 0.290 385 T C 0.562 175.262 174.700 -0.001 0.000 1.066 385 T CA 0.078 62.177 62.100 -0.001 0.000 1.012 385 T CB 1.824 70.692 68.868 -0.001 0.000 1.184 385 T HN 0.225 nan 8.240 nan 0.000 0.522 386 E N 0.012 120.212 120.200 -0.000 0.000 2.051 386 E HA -0.141 4.209 4.350 0.000 0.000 0.192 386 E C 1.951 178.551 176.600 0.000 0.000 0.991 386 E CA 1.528 57.928 56.400 -0.000 0.000 0.799 386 E CB -0.246 29.454 29.700 -0.000 0.000 0.748 386 E HN 0.519 nan 8.360 nan 0.000 0.449 387 V N 1.600 121.514 119.914 0.000 0.000 2.255 387 V HA -0.291 3.829 4.120 0.000 0.000 0.247 387 V C 2.302 178.397 176.094 0.000 0.000 1.051 387 V CA 2.289 64.589 62.300 0.001 0.000 1.018 387 V CB -0.686 31.137 31.823 0.000 0.000 0.641 387 V HN 0.326 nan 8.190 nan 0.000 0.445 388 E N -0.635 119.565 120.200 0.000 0.000 2.086 388 E HA -0.305 4.045 4.350 0.000 0.000 0.200 388 E C 2.190 178.790 176.600 0.000 0.000 1.012 388 E CA 1.902 58.302 56.400 -0.000 0.000 0.812 388 E CB -0.250 29.450 29.700 -0.001 0.000 0.743 388 E HN 0.448 nan 8.360 nan 0.000 0.453 389 M N 1.159 120.759 119.600 0.000 0.000 2.091 389 M HA -0.179 4.301 4.480 0.000 0.000 0.259 389 M C 1.898 178.199 176.300 0.001 0.000 1.076 389 M CA 1.636 56.937 55.300 0.000 0.000 1.111 389 M CB -0.483 32.117 32.600 -0.000 0.000 1.291 389 M HN -0.148 nan 8.290 nan 0.000 0.417 390 K N 0.459 120.860 120.400 0.001 0.000 2.242 390 K HA -0.220 4.100 4.320 0.000 0.000 0.206 390 K C 1.919 178.521 176.600 0.003 0.000 1.045 390 K CA 1.426 57.714 56.287 0.002 0.000 0.930 390 K CB -0.569 31.933 32.500 0.002 0.000 0.726 390 K HN 0.504 nan 8.250 nan 0.000 0.462 391 E N 1.090 121.291 120.200 0.003 0.000 2.086 391 E HA -0.114 4.236 4.350 0.000 0.000 0.190 391 E C 1.926 178.528 176.600 0.003 0.000 0.975 391 E CA 0.935 57.337 56.400 0.003 0.000 0.813 391 E CB 0.088 29.789 29.700 0.002 0.000 0.768 391 E HN 0.214 nan 8.360 nan 0.000 0.457 392 K N 1.176 121.578 120.400 0.002 0.000 2.026 392 K HA -0.167 4.153 4.320 0.000 0.000 0.208 392 K C 2.270 178.872 176.600 0.004 0.000 1.048 392 K CA 1.676 57.965 56.287 0.002 0.000 0.929 392 K CB -0.172 32.328 32.500 0.001 0.000 0.713 392 K HN -0.083 nan 8.250 nan 0.000 0.439 393 K N -0.007 120.395 120.400 0.004 0.000 2.360 393 K HA -0.136 4.184 4.320 0.000 0.000 0.201 393 K C 1.508 178.114 176.600 0.010 0.000 1.046 393 K CA 1.176 57.466 56.287 0.005 0.000 0.940 393 K CB -0.058 32.445 32.500 0.004 0.000 0.748 393 K HN 0.260 nan 8.250 nan 0.000 0.465 394 A N 0.652 123.478 122.820 0.010 0.000 2.030 394 A HA 0.038 4.358 4.320 0.000 0.000 0.215 394 A C 1.914 179.508 177.584 0.017 0.000 1.164 394 A CA 0.392 52.437 52.037 0.014 0.000 0.697 394 A CB -0.057 18.949 19.000 0.010 0.000 0.827 394 A HN 0.263 nan 8.150 nan 0.000 0.457 395 R N -0.847 119.661 120.500 0.013 0.000 2.090 395 R HA 0.034 4.374 4.340 0.000 0.000 0.219 395 R C 1.900 178.210 176.300 0.016 0.000 1.100 395 R CA 1.125 57.233 56.100 0.014 0.000 0.991 395 R CB -0.287 30.017 30.300 0.008 0.000 0.893 395 R HN 0.314 nan 8.270 nan 0.000 0.443 396 V N 1.310 121.231 119.914 0.011 0.000 2.469 396 V HA -0.236 3.884 4.120 0.000 0.000 0.251 396 V C 2.072 178.172 176.094 0.010 0.000 1.064 396 V CA 1.792 64.096 62.300 0.007 0.000 1.066 396 V CB -0.380 31.443 31.823 0.001 0.000 0.667 396 V HN 0.368 nan 8.190 nan 0.000 0.461 397 E N -0.612 119.602 120.200 0.022 0.000 2.112 397 E HA -0.173 4.177 4.350 0.000 0.000 0.190 397 E C 1.734 178.391 176.600 0.094 0.000 0.979 397 E CA 0.817 57.242 56.400 0.041 0.000 0.814 397 E CB 0.063 29.790 29.700 0.046 0.000 0.762 397 E HN 0.555 nan 8.360 nan 0.000 0.460 398 D N -0.791 119.656 120.400 0.078 0.000 2.348 398 D HA 0.030 4.670 4.640 0.000 0.000 0.211 398 D C 1.260 177.613 176.300 0.087 0.000 0.998 398 D CA 0.412 54.469 54.000 0.094 0.000 0.873 398 D CB 0.581 41.409 40.800 0.047 0.000 0.925 398 D HN 0.162 nan 8.370 nan 0.000 0.524 399 A N 0.387 123.241 122.820 0.056 0.000 2.044 399 A HA 0.019 4.339 4.320 0.000 0.000 0.213 399 A C 1.933 179.536 177.584 0.032 0.000 1.169 399 A CA 0.056 52.117 52.037 0.039 0.000 0.724 399 A CB -0.141 18.871 19.000 0.020 0.000 0.840 399 A HN 0.164 nan 8.150 nan 0.000 0.463 400 L N -0.849 120.381 121.223 0.013 0.000 2.275 400 L HA -0.110 4.230 4.340 0.000 0.000 0.215 400 L C 2.097 178.924 176.870 -0.071 0.000 1.119 400 L CA 1.717 56.531 54.840 -0.044 0.000 0.790 400 L CB -0.548 41.459 42.059 -0.088 0.000 0.919 400 L HN 0.479 nan 8.230 nan 0.000 0.443 401 H N -1.269 117.799 119.070 -0.003 0.000 2.384 401 H HA 0.190 4.746 4.556 0.000 0.000 0.300 401 H C 2.101 177.430 175.328 0.001 0.000 1.057 401 H CA 1.059 57.106 56.048 -0.002 0.000 1.370 401 H CB 0.117 29.878 29.762 -0.002 0.000 1.417 401 H HN 0.429 nan 8.280 nan 0.000 0.527 402 A N 0.123 123.023 122.820 0.133 0.000 1.969 402 A HA -0.131 4.189 4.320 0.000 0.000 0.218 402 A C 2.558 180.172 177.584 0.050 0.000 1.169 402 A CA 1.835 53.916 52.037 0.074 0.000 0.635 402 A CB -0.727 18.302 19.000 0.049 0.000 0.810 402 A HN 0.328 nan 8.150 nan 0.000 0.445 403 T N -0.568 114.008 114.554 0.036 0.000 2.643 403 T HA -0.123 4.227 4.350 0.000 0.000 0.264 403 T C 2.146 176.855 174.700 0.016 0.000 1.045 403 T CA 1.260 63.370 62.100 0.017 0.000 1.155 403 T CB -0.252 68.617 68.868 0.001 0.000 0.863 403 T HN 0.324 nan 8.240 nan 0.000 0.420 404 R N 1.140 121.645 120.500 0.009 0.000 2.153 404 R HA -0.087 4.253 4.340 0.000 0.000 0.252 404 R C 2.486 178.803 176.300 0.028 0.000 1.158 404 R CA 1.558 57.664 56.100 0.009 0.000 0.975 404 R CB -1.068 29.232 30.300 -0.000 0.000 0.871 404 R HN 0.458 nan 8.270 nan 0.000 0.450 405 A N 0.024 122.871 122.820 0.045 0.000 2.067 405 A HA 0.041 4.361 4.320 0.000 0.000 0.219 405 A C 2.223 179.825 177.584 0.030 0.000 1.158 405 A CA 1.531 53.594 52.037 0.044 0.000 0.661 405 A CB -0.222 18.810 19.000 0.053 0.000 0.801 405 A HN 0.369 nan 8.150 nan 0.000 0.452 406 A N -0.944 121.891 122.820 0.025 0.000 1.871 406 A HA 0.178 4.498 4.320 0.000 0.000 0.211 406 A C 2.086 179.679 177.584 0.015 0.000 1.207 406 A CA 1.103 53.151 52.037 0.019 0.000 0.620 406 A CB -0.925 18.085 19.000 0.016 0.000 0.860 406 A HN 0.297 nan 8.150 nan 0.000 0.450 407 V N 0.703 120.624 119.914 0.013 0.000 2.370 407 V HA -0.346 3.774 4.120 0.000 0.000 0.252 407 V C 2.481 178.581 176.094 0.011 0.000 1.068 407 V CA 2.621 64.927 62.300 0.009 0.000 1.061 407 V CB -0.694 31.132 31.823 0.005 0.000 0.656 407 V HN 0.645 nan 8.190 nan 0.000 0.455 408 E N -0.702 119.507 120.200 0.014 0.000 2.016 408 E HA -0.153 4.197 4.350 0.000 0.000 0.190 408 E C 1.724 178.333 176.600 0.015 0.000 0.985 408 E CA 1.382 57.791 56.400 0.016 0.000 0.802 408 E CB -0.022 29.690 29.700 0.020 0.000 0.762 408 E HN 0.663 nan 8.360 nan 0.000 0.448 409 E N -0.604 119.606 120.200 0.016 0.000 2.630 409 E HA 0.238 4.588 4.350 0.000 0.000 0.218 409 E C 0.142 176.751 176.600 0.014 0.000 0.977 409 E CA 0.088 56.496 56.400 0.014 0.000 1.038 409 E CB 1.634 31.342 29.700 0.015 0.000 1.051 409 E HN 0.252 nan 8.360 nan 0.000 0.487 410 G N 1.153 109.961 108.800 0.014 0.000 2.698 410 G HA2 -0.184 3.776 3.960 0.000 0.000 0.225 410 G HA3 -0.184 3.776 3.960 0.000 0.000 0.225 410 G C -0.435 174.474 174.900 0.015 0.000 1.345 410 G CA -0.483 44.625 45.100 0.014 0.000 0.871 410 G HN 0.519 nan 8.290 nan 0.000 0.540 411 V N -2.254 117.669 119.914 0.014 0.000 3.040 411 V HA 0.998 5.118 4.120 0.000 0.000 0.312 411 V C 0.515 176.618 176.094 0.015 0.000 1.115 411 V CA 0.437 62.745 62.300 0.015 0.000 0.998 411 V CB 1.461 33.292 31.823 0.013 0.000 1.042 411 V HN 2.567 nan 8.190 nan 0.000 0.433 412 V N -0.075 119.848 119.914 0.015 0.000 3.105 412 V HA 1.024 5.144 4.120 0.000 0.000 0.311 412 V C 0.421 176.524 176.094 0.015 0.000 1.287 412 V CA -0.655 61.655 62.300 0.017 0.000 1.066 412 V CB 1.261 33.095 31.823 0.018 0.000 1.105 412 V HN 2.219 nan 8.190 nan 0.000 0.462 413 A N 0.489 123.319 122.820 0.017 0.000 2.488 413 A HA 0.683 5.003 4.320 0.000 0.000 0.249 413 A C 0.825 178.412 177.584 0.005 0.000 1.083 413 A CA 0.554 52.598 52.037 0.011 0.000 0.768 413 A CB -0.450 18.560 19.000 0.016 0.000 1.017 413 A HN 1.958 nan 8.150 nan 0.000 0.496 414 G N 0.831 109.629 108.800 -0.004 0.000 2.504 414 G HA2 0.488 4.448 3.960 0.000 0.000 0.257 414 G HA3 0.488 4.448 3.960 0.000 0.000 0.257 414 G C 1.166 176.060 174.900 -0.010 0.000 1.451 414 G CA 0.003 45.099 45.100 -0.006 0.000 1.059 414 G HN 2.211 nan 8.290 nan 0.000 0.550 415 G N -1.815 106.978 108.800 -0.013 0.000 2.269 415 G HA2 0.178 4.138 3.960 0.000 0.000 0.277 415 G HA3 0.178 4.138 3.960 0.000 0.000 0.277 415 G C 1.568 176.471 174.900 0.004 0.000 1.008 415 G CA 1.343 46.438 45.100 -0.009 0.000 0.774 415 G HN 2.436 nan 8.290 nan 0.000 0.511 416 G N -2.344 106.459 108.800 0.005 0.000 2.196 416 G HA2 -0.165 3.795 3.960 0.000 0.000 0.268 416 G HA3 -0.165 3.795 3.960 0.000 0.000 0.268 416 G C 1.944 176.851 174.900 0.012 0.000 0.975 416 G CA 2.097 47.203 45.100 0.010 0.000 0.648 416 G HN 2.219 nan 8.290 nan 0.000 0.538 417 V N -1.957 117.964 119.914 0.011 0.000 2.515 417 V HA 0.285 4.405 4.120 0.000 0.000 0.250 417 V C 2.870 178.979 176.094 0.024 0.000 1.058 417 V CA 2.059 64.369 62.300 0.017 0.000 1.064 417 V CB -1.024 30.803 31.823 0.008 0.000 0.675 417 V HN 1.445 nan 8.190 nan 0.000 0.461 418 A N 1.026 123.859 122.820 0.020 0.000 1.892 418 A HA -0.153 4.167 4.320 0.000 0.000 0.218 418 A C 2.265 179.863 177.584 0.023 0.000 1.188 418 A CA 2.499 54.550 52.037 0.024 0.000 0.631 418 A CB -0.832 18.180 19.000 0.019 0.000 0.822 418 A HN 0.610 nan 8.150 nan 0.000 0.447 419 L N -1.033 120.202 121.223 0.020 0.000 2.083 419 L HA -0.113 4.227 4.340 0.000 0.000 0.209 419 L C 2.484 179.366 176.870 0.020 0.000 1.083 419 L CA 1.329 56.180 54.840 0.018 0.000 0.752 419 L CB -0.317 41.751 42.059 0.015 0.000 0.899 419 L HN 0.486 nan 8.230 nan 0.000 0.433 420 I N -0.522 120.061 120.570 0.023 0.000 2.676 420 I HA -0.243 3.927 4.170 0.000 0.000 0.259 420 I C 2.665 178.802 176.117 0.034 0.000 1.194 420 I CA 0.560 61.875 61.300 0.026 0.000 1.473 420 I CB 0.048 38.063 38.000 0.025 0.000 1.096 420 I HN 0.207 nan 8.210 nan 0.000 0.443 421 R N 0.921 121.444 120.500 0.039 0.000 2.052 421 R HA -0.113 4.227 4.340 0.000 0.000 0.226 421 R C 2.113 178.434 176.300 0.035 0.000 1.145 421 R CA 2.475 58.603 56.100 0.047 0.000 0.952 421 R CB -1.103 29.229 30.300 0.053 0.000 0.847 421 R HN 0.305 nan 8.270 nan 0.000 0.431 422 V N -0.576 119.355 119.914 0.028 0.000 2.688 422 V HA -0.095 4.025 4.120 0.000 0.000 0.256 422 V C 2.214 178.319 176.094 0.018 0.000 1.084 422 V CA 1.704 64.017 62.300 0.021 0.000 1.103 422 V CB -1.474 30.359 31.823 0.017 0.000 0.688 422 V HN 0.389 nan 8.190 nan 0.000 0.480 423 A N 1.824 124.655 122.820 0.020 0.000 1.873 423 A HA -0.130 4.190 4.320 0.000 0.000 0.215 423 A C 2.592 180.187 177.584 0.018 0.000 1.186 423 A CA 2.307 54.354 52.037 0.017 0.000 0.616 423 A CB -0.986 18.024 19.000 0.017 0.000 0.823 423 A HN 0.859 nan 8.150 nan 0.000 0.442 424 S N -0.385 115.328 115.700 0.023 0.000 2.423 424 S HA -0.068 4.402 4.470 0.000 0.000 0.231 424 S C 1.565 176.177 174.600 0.020 0.000 1.014 424 S CA 1.323 59.537 58.200 0.023 0.000 0.965 424 S CB -0.326 62.894 63.200 0.032 0.000 0.785 424 S HN 0.511 nan 8.310 nan 0.000 0.495 425 K N 0.552 120.964 120.400 0.021 0.000 2.569 425 K HA 0.280 4.600 4.320 0.000 0.000 0.193 425 K C 0.126 176.733 176.600 0.013 0.000 1.026 425 K CA 0.252 56.549 56.287 0.017 0.000 1.093 425 K CB -0.163 32.348 32.500 0.019 0.000 0.849 425 K HN 0.451 nan 8.250 nan 0.000 0.509 426 L N -1.178 120.052 121.223 0.012 0.000 3.431 426 L HA 0.224 4.564 4.340 0.000 0.000 0.316 426 L C 1.207 178.081 176.870 0.008 0.000 1.305 426 L CA -0.181 54.664 54.840 0.009 0.000 0.995 426 L CB 0.816 42.880 42.059 0.008 0.000 1.411 426 L HN -0.031 nan 8.230 nan 0.000 0.610 427 A N -0.275 122.550 122.820 0.008 0.000 2.019 427 A HA -0.152 4.168 4.320 0.000 0.000 0.219 427 A C 1.376 178.963 177.584 0.005 0.000 1.164 427 A CA 1.622 53.663 52.037 0.007 0.000 0.644 427 A CB -0.160 18.845 19.000 0.008 0.000 0.805 427 A HN 0.384 nan 8.150 nan 0.000 0.449 428 D N -0.958 119.445 120.400 0.005 0.000 2.342 428 D HA 0.198 4.838 4.640 0.000 0.000 0.221 428 D C 0.080 176.382 176.300 0.003 0.000 1.101 428 D CA -0.275 53.727 54.000 0.004 0.000 0.837 428 D CB -0.058 40.744 40.800 0.003 0.000 0.938 428 D HN 0.314 nan 8.370 nan 0.000 0.508 429 L N 1.602 122.827 121.223 0.003 0.000 2.456 429 L HA 0.149 4.489 4.340 0.000 0.000 0.272 429 L C 0.188 177.059 176.870 0.002 0.000 1.189 429 L CA 0.591 55.432 54.840 0.003 0.000 0.846 429 L CB 0.209 42.270 42.059 0.003 0.000 1.111 429 L HN -0.192 nan 8.230 nan 0.000 0.475 430 R N 2.683 123.184 120.500 0.002 0.000 2.764 430 R HA 0.747 5.087 4.340 0.000 0.000 0.270 430 R C -0.540 175.761 176.300 0.001 0.000 1.014 430 R CA -0.457 55.644 56.100 0.001 0.000 0.904 430 R CB 1.491 31.792 30.300 0.001 0.000 1.236 430 R HN 0.797 nan 8.270 nan 0.000 0.466 431 G N -0.457 108.344 108.800 0.001 0.000 3.015 431 G HA2 0.298 4.258 3.960 0.000 0.000 0.281 431 G HA3 0.298 4.258 3.960 0.000 0.000 0.281 431 G C 0.127 175.027 174.900 0.001 0.000 1.386 431 G CA -0.357 44.743 45.100 0.001 0.000 0.959 431 G HN 0.392 nan 8.290 nan 0.000 0.522 432 Q N -0.513 119.288 119.800 0.001 0.000 1.985 432 Q HA -0.148 4.192 4.340 0.000 0.000 0.207 432 Q C 0.867 176.867 176.000 0.001 0.000 0.996 432 Q CA 2.079 57.883 55.803 0.001 0.000 0.851 432 Q CB -0.213 28.525 28.738 0.001 0.000 0.921 432 Q HN 0.686 nan 8.270 nan 0.000 0.418 433 N N -0.922 117.779 118.700 0.001 0.000 2.671 433 N HA 0.072 4.812 4.740 0.000 0.000 0.303 433 N C 0.225 175.735 175.510 0.001 0.000 1.277 433 N CA -0.419 52.632 53.050 0.001 0.000 0.933 433 N CB 0.349 38.837 38.487 0.001 0.000 1.190 433 N HN -0.176 nan 8.380 nan 0.000 0.600 434 E N -0.685 119.516 120.200 0.001 0.000 2.152 434 E HA -0.098 4.252 4.350 0.000 0.000 0.192 434 E C 0.539 177.140 176.600 0.002 0.000 0.983 434 E CA 1.169 57.569 56.400 0.001 0.000 0.818 434 E CB -0.309 29.391 29.700 0.001 0.000 0.758 434 E HN 0.540 nan 8.360 nan 0.000 0.467 435 D N 0.372 120.773 120.400 0.002 0.000 2.087 435 D HA -0.205 4.435 4.640 0.000 0.000 0.192 435 D C 1.892 178.194 176.300 0.002 0.000 0.993 435 D CA 1.212 55.214 54.000 0.002 0.000 0.828 435 D CB -0.343 40.459 40.800 0.003 0.000 0.968 435 D HN 0.339 nan 8.370 nan 0.000 0.448 436 Q N 0.238 120.040 119.800 0.002 0.000 2.173 436 Q HA -0.178 4.162 4.340 0.000 0.000 0.208 436 Q C 1.907 177.908 176.000 0.002 0.000 0.989 436 Q CA 1.046 56.850 55.803 0.002 0.000 0.872 436 Q CB -0.093 28.646 28.738 0.002 0.000 0.909 436 Q HN 0.275 nan 8.270 nan 0.000 0.420 437 N N -0.232 118.469 118.700 0.002 0.000 2.166 437 N HA -0.118 4.622 4.740 0.000 0.000 0.186 437 N C 1.804 177.315 175.510 0.002 0.000 1.019 437 N CA 0.993 54.044 53.050 0.002 0.000 0.856 437 N CB -0.233 38.255 38.487 0.002 0.000 0.993 437 N HN 0.073 nan 8.380 nan 0.000 0.426 438 V N 0.882 120.798 119.914 0.002 0.000 2.358 438 V HA -0.123 3.997 4.120 0.000 0.000 0.246 438 V C 2.455 178.551 176.094 0.003 0.000 1.047 438 V CA 1.931 64.233 62.300 0.003 0.000 1.035 438 V CB -1.192 30.632 31.823 0.002 0.000 0.658 438 V HN 0.323 nan 8.190 nan 0.000 0.452 439 G N -0.092 108.710 108.800 0.003 0.000 2.442 439 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 439 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 439 G C 1.512 176.414 174.900 0.003 0.000 1.141 439 G CA 1.169 46.271 45.100 0.003 0.000 0.763 439 G HN 0.441 nan 8.290 nan 0.000 0.554 440 I N 0.630 121.202 120.570 0.003 0.000 2.133 440 I HA -0.046 4.124 4.170 0.000 0.000 0.238 440 I C 2.512 178.631 176.117 0.004 0.000 1.074 440 I CA 1.121 62.422 61.300 0.003 0.000 1.342 440 I CB -0.105 37.897 38.000 0.002 0.000 1.053 440 I HN -0.081 nan 8.210 nan 0.000 0.404 441 K N 0.166 120.568 120.400 0.004 0.000 2.281 441 K HA -0.061 4.259 4.320 0.000 0.000 0.203 441 K C 2.128 178.731 176.600 0.004 0.000 1.046 441 K CA 0.884 57.173 56.287 0.004 0.000 0.938 441 K CB -0.625 31.877 32.500 0.003 0.000 0.737 441 K HN 0.229 nan 8.250 nan 0.000 0.458 442 V N 0.922 120.838 119.914 0.004 0.000 2.346 442 V HA -0.145 3.975 4.120 0.000 0.000 0.244 442 V C 2.333 178.430 176.094 0.005 0.000 1.037 442 V CA 1.711 64.014 62.300 0.005 0.000 1.029 442 V CB -0.410 31.416 31.823 0.005 0.000 0.663 442 V HN 0.267 nan 8.190 nan 0.000 0.454 443 A N -0.226 122.597 122.820 0.005 0.000 1.898 443 A HA -0.130 4.190 4.320 0.000 0.000 0.216 443 A C 2.153 179.741 177.584 0.006 0.000 1.181 443 A CA 1.636 53.676 52.037 0.006 0.000 0.620 443 A CB -0.529 18.473 19.000 0.004 0.000 0.819 443 A HN 0.492 nan 8.150 nan 0.000 0.442 444 L N -1.262 119.964 121.223 0.006 0.000 2.083 444 L HA -0.162 4.178 4.340 0.000 0.000 0.209 444 L C 2.785 179.660 176.870 0.008 0.000 1.083 444 L CA 1.628 56.472 54.840 0.007 0.000 0.752 444 L CB -0.521 41.542 42.059 0.007 0.000 0.899 444 L HN 0.409 nan 8.230 nan 0.000 0.433 445 R N 0.142 120.646 120.500 0.006 0.000 2.148 445 R HA -0.125 4.215 4.340 0.000 0.000 0.227 445 R C 2.263 178.566 176.300 0.006 0.000 1.103 445 R CA 1.189 57.293 56.100 0.006 0.000 0.983 445 R CB -0.091 30.212 30.300 0.005 0.000 0.874 445 R HN 0.360 nan 8.270 nan 0.000 0.451 446 A N 0.158 122.982 122.820 0.007 0.000 1.970 446 A HA -0.054 4.266 4.320 0.000 0.000 0.216 446 A C 1.924 179.514 177.584 0.009 0.000 1.170 446 A CA 0.655 52.697 52.037 0.008 0.000 0.645 446 A CB -0.184 18.821 19.000 0.009 0.000 0.816 446 A HN 0.260 nan 8.150 nan 0.000 0.447 447 M N -0.302 119.303 119.600 0.009 0.000 2.706 447 M HA -0.107 4.373 4.480 0.000 0.000 0.251 447 M C 1.339 177.645 176.300 0.010 0.000 1.070 447 M CA 0.938 56.245 55.300 0.011 0.000 1.073 447 M CB -0.180 32.427 32.600 0.011 0.000 1.449 447 M HN 0.476 nan 8.290 nan 0.000 0.531 448 E N -0.095 120.110 120.200 0.008 0.000 2.340 448 E HA 0.044 4.394 4.350 0.000 0.000 0.194 448 E C 2.110 178.712 176.600 0.004 0.000 0.996 448 E CA 0.452 56.856 56.400 0.006 0.000 0.869 448 E CB 0.078 29.781 29.700 0.005 0.000 0.835 448 E HN 0.485 nan 8.360 nan 0.000 0.493 449 A N 2.521 125.344 122.820 0.005 0.000 1.894 449 A HA -0.229 4.091 4.320 0.000 0.000 0.220 449 A C -0.330 177.256 177.584 0.003 0.000 1.237 449 A CA 1.972 54.011 52.037 0.004 0.000 0.660 449 A CB -1.786 17.217 19.000 0.006 0.000 0.835 449 A HN 0.149 nan 8.150 nan 0.000 0.461 450 P HA -0.184 nan 4.420 nan 0.000 0.215 450 P C 1.863 179.166 177.300 0.005 0.000 1.163 450 P CA 1.327 64.430 63.100 0.006 0.000 0.894 450 P CB -0.144 31.561 31.700 0.009 0.000 0.791 451 L N -0.903 120.323 121.223 0.005 0.000 2.005 451 L HA -0.169 4.171 4.340 0.000 0.000 0.207 451 L C 2.509 179.376 176.870 -0.006 0.000 1.072 451 L CA 1.676 56.518 54.840 0.004 0.000 0.744 451 L CB -0.352 41.708 42.059 0.002 0.000 0.895 451 L HN -0.201 nan 8.230 nan 0.000 0.433 452 R N -0.607 119.886 120.500 -0.012 0.000 2.117 452 R HA -0.276 4.064 4.340 0.000 0.000 0.243 452 R C 2.278 178.571 176.300 -0.012 0.000 1.143 452 R CA 1.963 58.051 56.100 -0.019 0.000 0.968 452 R CB -0.323 29.968 30.300 -0.014 0.000 0.863 452 R HN 0.419 nan 8.270 nan 0.000 0.444 453 Q N 0.785 120.583 119.800 -0.004 0.000 2.172 453 Q HA -0.035 4.305 4.340 0.000 0.000 0.200 453 Q C 1.748 177.750 176.000 0.003 0.000 0.964 453 Q CA 1.387 57.189 55.803 -0.001 0.000 0.855 453 Q CB 0.037 28.775 28.738 0.001 0.000 0.918 453 Q HN 0.373 nan 8.270 nan 0.000 0.444 454 I N -0.903 119.672 120.570 0.008 0.000 2.233 454 I HA -0.206 3.964 4.170 0.000 0.000 0.243 454 I C 1.997 178.130 176.117 0.028 0.000 1.093 454 I CA 0.695 62.006 61.300 0.017 0.000 1.380 454 I CB -0.320 37.695 38.000 0.024 0.000 1.067 454 I HN 0.030 nan 8.210 nan 0.000 0.413 455 V N 1.010 120.937 119.914 0.022 0.000 2.392 455 V HA -0.277 3.843 4.120 0.000 0.000 0.249 455 V C 2.415 178.511 176.094 0.004 0.000 1.059 455 V CA 1.671 63.978 62.300 0.012 0.000 1.051 455 V CB -0.477 31.301 31.823 -0.075 0.000 0.658 455 V HN 0.351 nan 8.190 nan 0.000 0.455 456 L N 0.792 122.013 121.223 -0.003 0.000 2.027 456 L HA -0.098 4.242 4.340 0.000 0.000 0.206 456 L C 2.110 178.982 176.870 0.004 0.000 1.074 456 L CA 1.908 56.747 54.840 -0.003 0.000 0.745 456 L CB -1.123 40.933 42.059 -0.005 0.000 0.898 456 L HN 0.307 nan 8.230 nan 0.000 0.433 457 N N -1.006 117.698 118.700 0.006 0.000 2.430 457 N HA -0.156 4.584 4.740 0.000 0.000 0.186 457 N C 1.485 177.001 175.510 0.010 0.000 1.032 457 N CA 1.374 54.427 53.050 0.006 0.000 0.893 457 N CB -0.637 37.853 38.487 0.005 0.000 0.957 457 N HN 0.426 nan 8.380 nan 0.000 0.442 458 C N -0.375 118.936 119.300 0.018 0.000 2.673 458 C HA 0.347 4.807 4.460 0.000 0.000 0.274 458 C C 1.431 176.436 174.990 0.024 0.000 1.276 458 C CA -0.238 58.795 59.018 0.026 0.000 1.701 458 C CB -1.133 26.637 27.740 0.052 0.000 1.836 458 C HN 0.545 nan 8.230 nan 0.000 0.596 459 G N 1.875 110.684 108.800 0.015 0.000 2.314 459 G HA2 -0.175 3.785 3.960 0.000 0.000 0.292 459 G HA3 -0.175 3.785 3.960 0.000 0.000 0.292 459 G C -0.206 174.703 174.900 0.015 0.000 1.059 459 G CA 0.333 45.441 45.100 0.013 0.000 0.982 459 G HN 0.499 nan 8.290 nan 0.000 0.505 460 E N -1.039 119.167 120.200 0.010 0.000 2.412 460 E HA 0.616 4.966 4.350 0.000 0.000 0.255 460 E C 0.039 176.627 176.600 -0.020 0.000 0.933 460 E CA -1.191 55.209 56.400 0.001 0.000 0.823 460 E CB 0.999 30.698 29.700 -0.001 0.000 1.352 460 E HN 0.062 nan 8.360 nan 0.000 0.406 461 K N 1.718 122.096 120.400 -0.037 0.000 2.244 461 K HA 0.285 4.605 4.320 0.000 0.000 0.263 461 K C -2.128 174.432 176.600 -0.066 0.000 1.103 461 K CA -2.014 54.250 56.287 -0.038 0.000 0.966 461 K CB 0.716 33.201 32.500 -0.025 0.000 1.429 461 K HN 0.054 nan 8.250 nan 0.000 0.434 462 P HA -0.273 nan 4.420 nan 0.000 0.213 462 P C 0.868 178.132 177.300 -0.060 0.000 1.176 462 P CA 1.737 64.797 63.100 -0.067 0.000 0.919 462 P CB 0.114 31.790 31.700 -0.039 0.000 0.791 463 S N -0.873 114.805 115.700 -0.036 0.000 2.381 463 S HA -0.217 4.253 4.470 0.000 0.000 0.230 463 S C 1.994 176.579 174.600 -0.024 0.000 1.052 463 S CA 2.100 60.286 58.200 -0.024 0.000 1.068 463 S CB -1.940 61.251 63.200 -0.015 0.000 0.918 463 S HN -0.049 nan 8.310 nan 0.000 0.448 464 V N 1.905 121.801 119.914 -0.030 0.000 2.216 464 V HA -0.158 3.962 4.120 0.000 0.000 0.243 464 V C 2.668 178.748 176.094 -0.022 0.000 1.044 464 V CA 1.794 64.083 62.300 -0.019 0.000 0.995 464 V CB -1.007 30.807 31.823 -0.015 0.000 0.633 464 V HN 0.471 nan 8.190 nan 0.000 0.446 465 V N 0.459 120.319 119.914 -0.089 0.000 2.313 465 V HA -0.377 3.743 4.120 0.000 0.000 0.253 465 V C 2.674 178.727 176.094 -0.068 0.000 1.070 465 V CA 2.406 64.603 62.300 -0.171 0.000 1.057 465 V CB -1.409 30.085 31.823 -0.548 0.000 0.653 465 V HN 0.603 nan 8.190 nan 0.000 0.450 466 A N 0.259 123.042 122.820 -0.063 0.000 1.841 466 A HA -0.318 4.002 4.320 0.000 0.000 0.216 466 A C 2.053 179.650 177.584 0.022 0.000 1.199 466 A CA 2.497 54.522 52.037 -0.019 0.000 0.621 466 A CB -1.026 17.962 19.000 -0.020 0.000 0.835 466 A HN 0.695 nan 8.150 nan 0.000 0.445 467 N N -0.889 117.822 118.700 0.018 0.000 2.061 467 N HA -0.153 4.587 4.740 0.000 0.000 0.193 467 N C 1.778 177.323 175.510 0.057 0.000 1.030 467 N CA 1.867 54.935 53.050 0.030 0.000 0.856 467 N CB -0.383 38.114 38.487 0.016 0.000 1.023 467 N HN 0.521 nan 8.380 nan 0.000 0.424 468 T N 0.831 115.428 114.554 0.073 0.000 2.607 468 T HA -0.135 4.215 4.350 0.000 0.000 0.267 468 T C 2.159 176.984 174.700 0.210 0.000 1.049 468 T CA 1.214 63.380 62.100 0.109 0.000 1.162 468 T CB -0.524 68.413 68.868 0.114 0.000 0.863 468 T HN 0.014 nan 8.240 nan 0.000 0.424 469 V N 1.558 121.605 119.914 0.221 0.000 2.332 469 V HA -0.207 3.913 4.120 0.000 0.000 0.248 469 V C 2.433 178.644 176.094 0.195 0.000 1.055 469 V CA 1.643 64.072 62.300 0.215 0.000 1.038 469 V CB -0.548 31.337 31.823 0.104 0.000 0.651 469 V HN 0.494 nan 8.190 nan 0.000 0.450 470 K N 0.250 120.724 120.400 0.124 0.000 2.211 470 K HA -0.052 4.268 4.320 0.000 0.000 0.203 470 K C 1.993 178.649 176.600 0.093 0.000 1.050 470 K CA 1.170 57.513 56.287 0.093 0.000 0.945 470 K CB -0.442 32.092 32.500 0.057 0.000 0.732 470 K HN 0.563 nan 8.250 nan 0.000 0.451 471 G N 0.825 109.685 108.800 0.100 0.000 2.882 471 G HA2 0.017 3.977 3.960 0.000 0.000 0.206 471 G HA3 0.017 3.977 3.960 0.000 0.000 0.206 471 G C 0.479 175.410 174.900 0.051 0.000 1.155 471 G CA 0.275 45.412 45.100 0.062 0.000 0.800 471 G HN 0.312 nan 8.290 nan 0.000 0.524 472 G N -1.077 107.797 108.800 0.123 0.000 2.971 472 G HA2 0.532 4.492 3.960 0.000 0.000 0.235 472 G HA3 0.532 4.492 3.960 0.000 0.000 0.235 472 G C -1.692 173.249 174.900 0.070 0.000 1.351 472 G CA -0.388 44.741 45.100 0.048 0.000 1.039 472 G HN 0.113 nan 8.290 nan 0.000 0.563 473 D N -3.131 117.304 120.400 0.058 0.000 2.602 473 D HA 0.538 5.178 4.640 0.000 0.000 0.236 473 D C 0.576 176.935 176.300 0.098 0.000 1.209 473 D CA 1.157 55.195 54.000 0.063 0.000 0.831 473 D CB 1.606 42.413 40.800 0.012 0.000 1.478 473 D HN 1.303 nan 8.370 nan 0.000 0.438 474 G N 2.068 110.917 108.800 0.082 0.000 2.528 474 G HA2 -0.290 3.670 3.960 0.000 0.000 0.262 474 G HA3 -0.290 3.670 3.960 0.000 0.000 0.262 474 G C 0.166 175.131 174.900 0.107 0.000 1.200 474 G CA 0.247 45.396 45.100 0.082 0.000 0.951 474 G HN 0.600 nan 8.290 nan 0.000 0.566 475 N N 0.170 118.935 118.700 0.107 0.000 2.327 475 N HA 0.347 5.087 4.740 0.000 0.000 0.231 475 N C -0.087 175.503 175.510 0.134 0.000 1.130 475 N CA 0.027 53.134 53.050 0.095 0.000 0.845 475 N CB 0.234 38.758 38.487 0.063 0.000 1.073 475 N HN 0.552 nan 8.380 nan 0.000 0.496 476 Y N 0.763 121.094 120.300 0.053 0.000 2.402 476 Y HA 0.530 5.080 4.550 0.000 0.000 0.333 476 Y C 0.711 176.671 175.900 0.100 0.000 1.076 476 Y CA -0.247 57.899 58.100 0.076 0.000 1.299 476 Y CB 0.153 38.658 38.460 0.075 0.000 1.197 476 Y HN 0.066 nan 8.280 nan 0.000 0.517 477 G N 4.115 112.694 108.800 -0.368 0.000 2.947 477 G HA2 0.267 4.227 3.960 0.000 0.000 0.293 477 G HA3 0.267 4.227 3.960 0.000 0.000 0.293 477 G C -2.382 172.338 174.900 -0.301 0.000 1.243 477 G CA -0.879 44.060 45.100 -0.267 0.000 0.802 477 G HN 0.565 nan 8.290 nan 0.000 0.560 478 Y N 1.438 121.527 120.300 -0.351 0.000 2.338 478 Y HA 0.557 5.107 4.550 0.000 0.000 0.328 478 Y C -0.315 175.388 175.900 -0.328 0.000 0.965 478 Y CA -1.320 56.472 58.100 -0.514 0.000 1.208 478 Y CB 1.421 39.501 38.460 -0.633 0.000 1.132 478 Y HN 0.436 nan 8.280 nan 0.000 0.469 479 N N 4.739 123.054 118.700 -0.641 0.000 2.399 479 N HA 0.150 4.890 4.740 0.000 0.000 0.259 479 N C 0.495 175.493 175.510 -0.853 0.000 1.160 479 N CA 0.633 53.376 53.050 -0.511 0.000 0.946 479 N CB 1.429 39.711 38.487 -0.342 0.000 1.156 479 N HN 0.856 nan 8.380 nan 0.000 0.489 480 A N 3.511 125.986 122.820 -0.575 0.000 2.168 480 A HA 0.079 4.399 4.320 0.000 0.000 0.215 480 A C 1.871 179.293 177.584 -0.269 0.000 1.152 480 A CA 1.252 53.034 52.037 -0.425 0.000 0.716 480 A CB -0.365 18.626 19.000 -0.014 0.000 0.794 480 A HN 0.730 nan 8.150 nan 0.000 0.465 481 A N -0.556 122.118 122.820 -0.243 0.000 2.021 481 A HA 0.063 4.383 4.320 0.000 0.000 0.216 481 A C 2.229 179.721 177.584 -0.153 0.000 1.163 481 A CA 1.993 53.939 52.037 -0.152 0.000 0.676 481 A CB -0.527 18.404 19.000 -0.115 0.000 0.818 481 A HN 0.703 nan 8.150 nan 0.000 0.453 482 T N -4.715 109.708 114.554 -0.219 0.000 2.971 482 T HA 0.236 4.586 4.350 0.000 0.000 0.252 482 T C 0.435 175.024 174.700 -0.186 0.000 1.022 482 T CA 0.850 62.850 62.100 -0.166 0.000 0.980 482 T CB -0.122 68.662 68.868 -0.140 0.000 1.044 482 T HN 0.520 nan 8.240 nan 0.000 0.501 483 E N 0.689 120.670 120.200 -0.364 0.000 3.413 483 E HA -0.143 4.207 4.350 0.000 0.000 0.300 483 E C -0.865 175.631 176.600 -0.173 0.000 0.891 483 E CA 0.734 56.948 56.400 -0.311 0.000 1.050 483 E CB -1.719 27.967 29.700 -0.023 0.000 1.534 483 E HN 0.756 nan 8.360 nan 0.000 0.436 484 E N 0.553 120.609 120.200 -0.241 0.000 2.182 484 E HA 0.277 4.627 4.350 0.000 0.000 0.258 484 E C -0.638 175.947 176.600 -0.026 0.000 0.879 484 E CA -0.657 55.738 56.400 -0.009 0.000 0.754 484 E CB 0.764 30.470 29.700 0.011 0.000 1.162 484 E HN 0.045 nan 8.360 nan 0.000 0.419 485 Y N 1.523 121.825 120.300 0.003 0.000 2.546 485 Y HA 0.342 4.892 4.550 0.000 0.000 0.351 485 Y C 1.439 177.327 175.900 -0.021 0.000 1.266 485 Y CA 0.792 58.857 58.100 -0.058 0.000 1.487 485 Y CB 0.468 38.920 38.460 -0.012 0.000 1.365 485 Y HN 0.699 nan 8.280 nan 0.000 0.642 486 G N 0.160 109.003 108.800 0.072 0.000 2.399 486 G HA2 0.016 3.976 3.960 0.000 0.000 0.256 486 G HA3 0.016 3.976 3.960 0.000 0.000 0.256 486 G C -1.664 173.327 174.900 0.151 0.000 1.236 486 G CA -1.005 44.205 45.100 0.182 0.000 0.914 486 G HN 0.595 nan 8.290 nan 0.000 0.482 487 N N 1.275 120.053 118.700 0.129 0.000 2.462 487 N HA 0.200 4.940 4.740 0.000 0.000 0.242 487 N C 1.674 177.205 175.510 0.035 0.000 1.010 487 N CA -0.588 52.527 53.050 0.108 0.000 0.939 487 N CB 0.964 39.514 38.487 0.104 0.000 1.127 487 N HN 0.347 nan 8.380 nan 0.000 0.509 488 M N 3.141 122.745 119.600 0.008 0.000 2.108 488 M HA -0.203 4.277 4.480 0.000 0.000 0.257 488 M C 1.571 177.868 176.300 -0.005 0.000 1.071 488 M CA 1.290 56.578 55.300 -0.019 0.000 1.093 488 M CB -0.608 31.978 32.600 -0.023 0.000 1.345 488 M HN 0.556 nan 8.290 nan 0.000 0.403 489 I N -0.057 120.521 120.570 0.013 0.000 2.252 489 I HA -0.223 3.947 4.170 0.000 0.000 0.245 489 I C 1.748 177.871 176.117 0.010 0.000 1.102 489 I CA 1.397 62.704 61.300 0.012 0.000 1.385 489 I CB -1.553 36.459 38.000 0.020 0.000 1.064 489 I HN 0.215 nan 8.210 nan 0.000 0.414 490 D N 0.690 121.100 120.400 0.017 0.000 2.144 490 D HA -0.136 4.504 4.640 0.000 0.000 0.199 490 D C 2.102 178.405 176.300 0.004 0.000 0.984 490 D CA 1.077 55.086 54.000 0.015 0.000 0.834 490 D CB -0.114 40.702 40.800 0.027 0.000 0.955 490 D HN 0.247 nan 8.370 nan 0.000 0.465 491 M N -0.635 118.962 119.600 -0.005 0.000 2.628 491 M HA 0.165 4.645 4.480 0.000 0.000 0.232 491 M C 0.682 176.967 176.300 -0.024 0.000 1.128 491 M CA 0.250 55.538 55.300 -0.020 0.000 1.040 491 M CB 0.435 33.011 32.600 -0.040 0.000 1.608 491 M HN 0.060 nan 8.290 nan 0.000 0.507 492 G N 2.318 111.109 108.800 -0.016 0.000 2.324 492 G HA2 -0.235 3.725 3.960 0.000 0.000 0.292 492 G HA3 -0.235 3.725 3.960 0.000 0.000 0.292 492 G C -0.179 174.707 174.900 -0.022 0.000 1.079 492 G CA -0.215 44.875 45.100 -0.015 0.000 1.026 492 G HN 0.580 nan 8.290 nan 0.000 0.506 493 I N 0.781 121.337 120.570 -0.024 0.000 2.871 493 I HA 0.229 4.399 4.170 0.000 0.000 0.284 493 I C 0.117 176.224 176.117 -0.018 0.000 1.390 493 I CA -0.811 60.471 61.300 -0.029 0.000 0.958 493 I CB 0.323 38.293 38.000 -0.050 0.000 1.618 493 I HN 0.187 nan 8.210 nan 0.000 0.595 494 L N 0.650 121.867 121.223 -0.009 0.000 2.341 494 L HA 0.841 5.181 4.340 0.000 0.000 0.267 494 L C -0.579 176.291 176.870 0.001 0.000 1.022 494 L CA -0.739 54.100 54.840 -0.001 0.000 0.844 494 L CB 0.556 42.617 42.059 0.003 0.000 1.436 494 L HN -0.021 nan 8.230 nan 0.000 0.483 495 D N -1.315 119.089 120.400 0.007 0.000 2.931 495 D HA 0.315 4.955 4.640 0.000 0.000 0.215 495 D C -2.843 173.465 176.300 0.014 0.000 1.297 495 D CA -0.855 53.151 54.000 0.010 0.000 0.892 495 D CB 2.426 43.231 40.800 0.009 0.000 1.642 495 D HN 0.326 nan 8.370 nan 0.000 0.560 496 P HA 0.007 nan 4.420 nan 0.000 0.260 496 P C 0.987 178.299 177.300 0.021 0.000 1.185 496 P CA 0.268 63.381 63.100 0.021 0.000 0.763 496 P CB 0.607 32.323 31.700 0.027 0.000 0.776 497 T N 3.155 117.720 114.554 0.019 0.000 2.680 497 T HA -0.267 4.083 4.350 0.000 0.000 0.268 497 T C 1.635 176.347 174.700 0.019 0.000 1.033 497 T CA 1.494 63.605 62.100 0.017 0.000 1.152 497 T CB -0.354 68.522 68.868 0.015 0.000 0.859 497 T HN 0.500 nan 8.240 nan 0.000 0.452 498 K N 0.674 121.087 120.400 0.022 0.000 2.074 498 K HA -0.153 4.167 4.320 0.000 0.000 0.209 498 K C 2.446 179.067 176.600 0.035 0.000 1.048 498 K CA 1.723 58.026 56.287 0.027 0.000 0.926 498 K CB -0.414 32.106 32.500 0.033 0.000 0.713 498 K HN 0.365 nan 8.250 nan 0.000 0.444 499 V N -0.229 119.706 119.914 0.035 0.000 2.270 499 V HA -0.182 3.938 4.120 0.000 0.000 0.245 499 V C 1.800 177.917 176.094 0.039 0.000 1.043 499 V CA 2.441 64.765 62.300 0.040 0.000 1.014 499 V CB -0.846 30.994 31.823 0.029 0.000 0.645 499 V HN 0.341 nan 8.190 nan 0.000 0.447 500 T N 0.487 115.058 114.554 0.028 0.000 2.720 500 T HA -0.225 4.125 4.350 0.000 0.000 0.268 500 T C 1.964 176.677 174.700 0.022 0.000 1.037 500 T CA 2.338 64.453 62.100 0.024 0.000 1.144 500 T CB -0.432 68.447 68.868 0.018 0.000 0.864 500 T HN 0.637 nan 8.240 nan 0.000 0.444 501 R N 0.802 121.312 120.500 0.016 0.000 2.070 501 R HA -0.094 4.246 4.340 0.000 0.000 0.233 501 R C 2.658 178.956 176.300 -0.004 0.000 1.137 501 R CA 1.818 57.919 56.100 0.001 0.000 0.945 501 R CB -0.457 29.840 30.300 -0.005 0.000 0.845 501 R HN 0.237 nan 8.270 nan 0.000 0.430 502 S N 0.752 116.465 115.700 0.022 0.000 2.359 502 S HA -0.236 4.234 4.470 0.000 0.000 0.222 502 S C 2.075 176.759 174.600 0.140 0.000 1.038 502 S CA 1.460 59.698 58.200 0.062 0.000 1.051 502 S CB -0.552 62.745 63.200 0.162 0.000 0.944 502 S HN 0.604 nan 8.310 nan 0.000 0.433 503 A N 1.396 124.294 122.820 0.130 0.000 1.884 503 A HA -0.177 4.143 4.320 0.000 0.000 0.219 503 A C 2.181 179.823 177.584 0.097 0.000 1.197 503 A CA 1.990 54.102 52.037 0.124 0.000 0.637 503 A CB -0.946 18.095 19.000 0.068 0.000 0.827 503 A HN 0.425 nan 8.150 nan 0.000 0.450 504 L N -0.235 121.016 121.223 0.046 0.000 2.017 504 L HA -0.193 4.147 4.340 0.000 0.000 0.208 504 L C 2.545 179.414 176.870 -0.001 0.000 1.073 504 L CA 2.379 57.233 54.840 0.022 0.000 0.745 504 L CB -0.818 41.245 42.059 0.006 0.000 0.894 504 L HN 0.499 nan 8.230 nan 0.000 0.432 505 Q N -1.412 118.354 119.800 -0.057 0.000 2.135 505 Q HA -0.253 4.087 4.340 0.000 0.000 0.204 505 Q C 2.199 178.097 176.000 -0.171 0.000 0.981 505 Q CA 2.087 57.796 55.803 -0.156 0.000 0.856 505 Q CB -0.446 28.117 28.738 -0.292 0.000 0.902 505 Q HN 0.547 nan 8.270 nan 0.000 0.425 506 Y N 0.272 120.573 120.300 0.000 0.000 2.243 506 Y HA -0.053 4.497 4.550 0.000 0.000 0.293 506 Y C 2.488 178.388 175.900 0.000 0.000 1.124 506 Y CA 0.718 58.818 58.100 -0.000 0.000 1.159 506 Y CB -0.721 37.738 38.460 -0.002 0.000 1.008 506 Y HN 0.099 nan 8.280 nan 0.000 0.527 507 A N 0.199 123.115 122.820 0.159 0.000 1.908 507 A HA -0.212 4.108 4.320 0.000 0.000 0.218 507 A C 2.466 180.088 177.584 0.063 0.000 1.181 507 A CA 2.147 54.239 52.037 0.090 0.000 0.627 507 A CB -1.298 17.738 19.000 0.061 0.000 0.818 507 A HN 0.404 nan 8.150 nan 0.000 0.445 508 A N -0.817 122.028 122.820 0.042 0.000 1.908 508 A HA -0.127 4.193 4.320 0.000 0.000 0.218 508 A C 2.476 180.076 177.584 0.027 0.000 1.181 508 A CA 2.290 54.340 52.037 0.021 0.000 0.627 508 A CB -1.025 17.973 19.000 -0.003 0.000 0.818 508 A HN 0.621 nan 8.150 nan 0.000 0.445 509 S N -0.843 114.882 115.700 0.042 0.000 2.351 509 S HA -0.166 4.304 4.470 0.000 0.000 0.220 509 S C 2.014 176.648 174.600 0.058 0.000 1.035 509 S CA 1.932 60.164 58.200 0.053 0.000 1.031 509 S CB -0.718 62.542 63.200 0.100 0.000 0.928 509 S HN 0.709 nan 8.310 nan 0.000 0.433 510 V N 1.869 121.827 119.914 0.074 0.000 2.407 510 V HA -0.029 4.091 4.120 0.000 0.000 0.248 510 V C 2.553 178.669 176.094 0.037 0.000 1.055 510 V CA 2.151 64.482 62.300 0.053 0.000 1.049 510 V CB -1.250 30.603 31.823 0.051 0.000 0.662 510 V HN 0.608 nan 8.190 nan 0.000 0.455 511 A N 0.338 123.180 122.820 0.036 0.000 1.851 511 A HA -0.087 4.233 4.320 0.000 0.000 0.216 511 A C 2.447 180.044 177.584 0.021 0.000 1.195 511 A CA 2.200 54.253 52.037 0.025 0.000 0.622 511 A CB -1.708 17.306 19.000 0.023 0.000 0.831 511 A HN 0.701 nan 8.150 nan 0.000 0.444 512 G N -0.103 108.709 108.800 0.020 0.000 2.491 512 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 512 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 512 G C 1.568 176.478 174.900 0.018 0.000 1.180 512 G CA 1.216 46.326 45.100 0.016 0.000 0.774 512 G HN 0.452 nan 8.290 nan 0.000 0.562 513 L N -0.245 120.991 121.223 0.021 0.000 2.043 513 L HA -0.174 4.167 4.340 0.000 0.000 0.212 513 L C 3.162 180.044 176.870 0.019 0.000 1.075 513 L CA 1.536 56.389 54.840 0.021 0.000 0.752 513 L CB -0.399 41.675 42.059 0.025 0.000 0.891 513 L HN 0.276 nan 8.230 nan 0.000 0.432 514 M N -0.785 118.826 119.600 0.019 0.000 2.156 514 M HA -0.169 4.311 4.480 0.000 0.000 0.264 514 M C 2.305 178.614 176.300 0.014 0.000 1.067 514 M CA 1.669 56.979 55.300 0.017 0.000 1.131 514 M CB -0.344 32.266 32.600 0.016 0.000 1.368 514 M HN 0.193 nan 8.290 nan 0.000 0.416 515 I N 0.294 120.872 120.570 0.014 0.000 2.454 515 I HA -0.215 3.955 4.170 0.000 0.000 0.254 515 I C 1.797 177.922 176.117 0.013 0.000 1.156 515 I CA 1.473 62.780 61.300 0.012 0.000 1.433 515 I CB -0.613 37.394 38.000 0.011 0.000 1.082 515 I HN 0.411 nan 8.210 nan 0.000 0.432 516 T N -3.195 111.368 114.554 0.015 0.000 3.186 516 T HA 0.155 4.505 4.350 0.000 0.000 0.257 516 T C 0.542 175.254 174.700 0.020 0.000 1.029 516 T CA -0.295 61.815 62.100 0.017 0.000 0.916 516 T CB -0.405 68.473 68.868 0.016 0.000 1.041 516 T HN -0.041 nan 8.240 nan 0.000 0.562 517 T N 2.217 116.782 114.554 0.018 0.000 2.845 517 T HA 0.348 4.698 4.350 0.000 0.000 0.288 517 T C 0.562 175.276 174.700 0.023 0.000 0.980 517 T CA -0.527 61.584 62.100 0.019 0.000 1.071 517 T CB 1.593 70.469 68.868 0.013 0.000 0.941 517 T HN 0.051 nan 8.240 nan 0.000 0.487 518 E N 0.196 120.417 120.200 0.034 0.000 2.541 518 E HA 0.205 4.555 4.350 0.000 0.000 0.219 518 E C -0.180 176.460 176.600 0.067 0.000 0.922 518 E CA 0.055 56.494 56.400 0.065 0.000 1.095 518 E CB 0.737 30.495 29.700 0.096 0.000 1.112 518 E HN 0.603 nan 8.360 nan 0.000 0.516 519 C N 0.602 119.895 119.300 -0.013 0.000 3.113 519 C HA 0.629 5.089 4.460 0.000 0.000 0.376 519 C C -1.476 173.430 174.990 -0.141 0.000 1.077 519 C CA -0.648 58.266 59.018 -0.174 0.000 1.253 519 C CB 0.152 27.765 27.740 -0.212 0.000 1.637 519 C HN 0.112 nan 8.230 nan 0.000 0.535 520 M N 4.938 124.442 119.600 -0.160 0.000 2.393 520 M HA 0.656 5.136 4.480 0.000 0.000 0.316 520 M C -0.962 175.379 176.300 0.069 0.000 1.087 520 M CA -0.662 54.652 55.300 0.024 0.000 0.937 520 M CB 2.139 34.855 32.600 0.194 0.000 1.668 520 M HN 0.414 nan 8.290 nan 0.000 0.438 521 V N 1.358 121.295 119.914 0.039 0.000 2.483 521 V HA 0.729 4.849 4.120 0.000 0.000 0.297 521 V C -0.349 175.705 176.094 -0.067 0.000 1.027 521 V CA -0.325 61.974 62.300 -0.001 0.000 0.855 521 V CB 1.990 33.797 31.823 -0.027 0.000 0.995 521 V HN 0.972 nan 8.190 nan 0.000 0.424 522 T N 2.446 116.907 114.554 -0.156 0.000 2.787 522 T HA 0.439 4.789 4.350 0.000 0.000 0.297 522 T C -1.154 173.417 174.700 -0.215 0.000 1.221 522 T CA -0.544 61.400 62.100 -0.259 0.000 1.006 522 T CB 1.866 70.413 68.868 -0.535 0.000 1.328 522 T HN 0.647 nan 8.240 nan 0.000 0.509 523 D N 1.065 121.354 120.400 -0.186 0.000 2.357 523 D HA 0.396 5.036 4.640 0.000 0.000 0.242 523 D C -0.325 175.898 176.300 -0.130 0.000 1.153 523 D CA -0.215 53.709 54.000 -0.125 0.000 0.918 523 D CB 0.373 41.116 40.800 -0.094 0.000 1.181 523 D HN 0.185 nan 8.370 nan 0.000 0.435 524 L N 2.933 124.112 121.223 -0.073 0.000 2.367 524 L HA 0.271 4.611 4.340 0.000 0.000 0.275 524 L C -1.499 175.343 176.870 -0.046 0.000 1.129 524 L CA -1.295 53.516 54.840 -0.048 0.000 0.839 524 L CB -0.199 41.848 42.059 -0.020 0.000 1.133 524 L HN 0.408 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 63.082 63.100 -0.029 0.000 0.800 525 P CB 0.000 31.693 31.700 -0.011 0.000 0.726