REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1kpo_1_R DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEAALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 -0.000 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 1.330 124.149 122.820 -0.003 0.000 2.547 3 A HA 0.380 4.700 4.320 -0.000 0.000 0.269 3 A C 0.460 178.041 177.584 -0.006 0.000 1.041 3 A CA 0.688 52.723 52.037 -0.003 0.000 0.855 3 A CB -0.766 18.229 19.000 -0.007 0.000 0.934 3 A HN 0.547 nan 8.150 nan 0.000 0.521 4 K N 1.825 122.227 120.400 0.003 0.000 2.098 4 K HA 0.387 4.707 4.320 -0.000 0.000 0.244 4 K C -0.502 176.101 176.600 0.004 0.000 1.014 4 K CA -0.606 55.685 56.287 0.007 0.000 0.917 4 K CB 0.821 33.335 32.500 0.024 0.000 1.072 4 K HN 0.724 nan 8.250 nan 0.000 0.477 5 D N 0.254 120.662 120.400 0.013 0.000 2.362 5 D HA 0.408 5.048 4.640 -0.000 0.000 0.247 5 D C -1.483 174.876 176.300 0.098 0.000 1.050 5 D CA -0.696 53.317 54.000 0.022 0.000 0.839 5 D CB 1.467 42.243 40.800 -0.040 0.000 1.283 5 D HN 0.047 nan 8.370 nan 0.000 0.477 6 V N 3.842 123.765 119.914 0.016 0.000 2.638 6 V HA 0.455 4.575 4.120 -0.000 0.000 0.306 6 V C -0.228 175.626 176.094 -0.400 0.000 1.052 6 V CA -0.746 61.470 62.300 -0.139 0.000 0.885 6 V CB 2.030 33.729 31.823 -0.207 0.000 0.999 6 V HN 0.460 nan 8.190 nan 0.000 0.424 7 K N 3.377 123.466 120.400 -0.518 0.000 2.385 7 K HA 0.825 5.145 4.320 -0.000 0.000 0.248 7 K C -1.733 174.485 176.600 -0.638 0.000 0.955 7 K CA -0.508 55.424 56.287 -0.590 0.000 0.816 7 K CB 2.376 34.650 32.500 -0.376 0.000 1.250 7 K HN 0.446 nan 8.250 nan 0.000 0.434 8 F N -0.279 119.621 119.950 -0.084 0.000 2.620 8 F HA 0.586 5.113 4.527 -0.000 0.000 0.320 8 F C 0.855 176.617 175.800 -0.063 0.000 1.069 8 F CA -0.438 57.517 58.000 -0.075 0.000 0.953 8 F CB 1.275 40.249 39.000 -0.042 0.000 1.322 8 F HN 0.766 nan 8.300 nan 0.000 0.479 9 G N 1.350 110.247 108.800 0.162 0.000 2.601 9 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.261 9 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.261 9 G C 0.801 175.716 174.900 0.025 0.000 1.289 9 G CA 0.394 45.537 45.100 0.071 0.000 0.920 9 G HN 0.835 nan 8.290 nan 0.000 0.571 10 N N 0.256 118.967 118.700 0.018 0.000 2.100 10 N HA -0.281 4.459 4.740 -0.000 0.000 0.199 10 N C 1.734 177.239 175.510 -0.009 0.000 1.017 10 N CA 2.304 55.356 53.050 0.005 0.000 0.890 10 N CB -0.397 38.096 38.487 0.010 0.000 1.080 10 N HN 0.699 nan 8.380 nan 0.000 0.525 11 D N 0.705 121.101 120.400 -0.007 0.000 2.303 11 D HA -0.267 4.373 4.640 -0.000 0.000 0.190 11 D C 1.823 178.072 176.300 -0.084 0.000 1.011 11 D CA 1.908 55.893 54.000 -0.025 0.000 0.860 11 D CB -0.788 39.999 40.800 -0.021 0.000 0.961 11 D HN 0.444 nan 8.370 nan 0.000 0.453 12 A N -0.022 122.717 122.820 -0.135 0.000 2.042 12 A HA -0.260 4.060 4.320 -0.000 0.000 0.222 12 A C 2.123 179.609 177.584 -0.164 0.000 1.167 12 A CA 1.938 53.829 52.037 -0.242 0.000 0.649 12 A CB -0.375 18.522 19.000 -0.172 0.000 0.809 12 A HN 0.190 nan 8.150 nan 0.000 0.457 13 R N -1.070 119.382 120.500 -0.080 0.000 2.062 13 R HA 0.013 4.353 4.340 -0.000 0.000 0.218 13 R C 2.239 178.522 176.300 -0.028 0.000 1.161 13 R CA 1.109 57.181 56.100 -0.047 0.000 0.994 13 R CB -0.769 29.517 30.300 -0.024 0.000 0.888 13 R HN 0.507 nan 8.270 nan 0.000 0.442 14 V N 0.916 120.820 119.914 -0.015 0.000 2.363 14 V HA -0.299 3.821 4.120 -0.000 0.000 0.254 14 V C 1.887 177.987 176.094 0.010 0.000 1.074 14 V CA 1.706 64.006 62.300 0.000 0.000 1.069 14 V CB -0.530 31.297 31.823 0.007 0.000 0.659 14 V HN 0.146 nan 8.190 nan 0.000 0.455 15 K N -0.061 120.345 120.400 0.009 0.000 2.002 15 K HA -0.033 4.287 4.320 -0.000 0.000 0.209 15 K C 2.284 178.907 176.600 0.037 0.000 1.048 15 K CA 2.169 58.486 56.287 0.050 0.000 0.930 15 K CB -0.601 31.956 32.500 0.095 0.000 0.714 15 K HN 0.549 nan 8.250 nan 0.000 0.438 16 M N 0.504 120.105 119.600 0.001 0.000 2.080 16 M HA -0.220 4.260 4.480 -0.000 0.000 0.260 16 M C 2.230 178.536 176.300 0.010 0.000 1.068 16 M CA 1.286 56.589 55.300 0.004 0.000 1.109 16 M CB -0.446 32.143 32.600 -0.018 0.000 1.342 16 M HN 0.077 nan 8.290 nan 0.000 0.405 17 L N 0.721 121.947 121.223 0.005 0.000 1.932 17 L HA -0.214 4.126 4.340 -0.000 0.000 0.217 17 L C 2.437 179.314 176.870 0.011 0.000 1.077 17 L CA 2.095 56.939 54.840 0.007 0.000 0.765 17 L CB -1.010 41.052 42.059 0.004 0.000 0.888 17 L HN 0.153 nan 8.230 nan 0.000 0.433 18 R N 0.333 120.841 120.500 0.014 0.000 2.174 18 R HA -0.148 4.192 4.340 -0.000 0.000 0.253 18 R C 2.099 178.410 176.300 0.019 0.000 1.165 18 R CA 1.855 57.964 56.100 0.016 0.000 0.984 18 R CB -1.562 28.750 30.300 0.021 0.000 0.873 18 R HN 0.633 nan 8.270 nan 0.000 0.456 19 G N -0.596 108.219 108.800 0.025 0.000 2.402 19 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 19 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 19 G C 1.421 176.331 174.900 0.017 0.000 1.162 19 G CA 1.053 46.169 45.100 0.027 0.000 0.777 19 G HN 0.380 nan 8.290 nan 0.000 0.539 20 V N -1.112 118.810 119.914 0.013 0.000 2.649 20 V HA 0.006 4.126 4.120 -0.000 0.000 0.248 20 V C 2.186 178.284 176.094 0.006 0.000 1.054 20 V CA 1.648 63.953 62.300 0.009 0.000 1.073 20 V CB -0.604 31.224 31.823 0.008 0.000 0.699 20 V HN 0.133 nan 8.190 nan 0.000 0.463 21 N N 1.057 119.761 118.700 0.007 0.000 2.258 21 N HA -0.132 4.608 4.740 -0.000 0.000 0.187 21 N C 1.632 177.144 175.510 0.003 0.000 1.012 21 N CA 1.701 54.754 53.050 0.005 0.000 0.870 21 N CB -0.439 38.051 38.487 0.005 0.000 0.977 21 N HN 0.529 nan 8.380 nan 0.000 0.434 22 V N 0.773 120.690 119.914 0.004 0.000 2.249 22 V HA -0.143 3.977 4.120 -0.000 0.000 0.239 22 V C 2.337 178.431 176.094 0.000 0.000 1.038 22 V CA 0.905 63.206 62.300 0.002 0.000 1.005 22 V CB -0.696 31.129 31.823 0.002 0.000 0.646 22 V HN 0.178 nan 8.190 nan 0.000 0.455 23 L N 0.731 121.955 121.223 0.001 0.000 2.103 23 L HA -0.237 4.103 4.340 -0.000 0.000 0.215 23 L C 2.209 179.078 176.870 -0.002 0.000 1.080 23 L CA 2.572 57.411 54.840 -0.001 0.000 0.764 23 L CB -0.981 41.078 42.059 -0.001 0.000 0.890 23 L HN 0.296 nan 8.230 nan 0.000 0.435 24 A N -0.900 121.920 122.820 -0.000 0.000 1.824 24 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 24 A C 1.955 179.538 177.584 -0.002 0.000 1.244 24 A CA 1.349 53.385 52.037 -0.000 0.000 0.604 24 A CB -1.141 17.859 19.000 0.001 0.000 0.900 24 A HN 0.480 nan 8.150 nan 0.000 0.455 25 D N 0.265 120.664 120.400 -0.002 0.000 2.276 25 D HA -0.159 4.481 4.640 -0.000 0.000 0.200 25 D C 1.536 177.834 176.300 -0.004 0.000 1.004 25 D CA 1.581 55.579 54.000 -0.003 0.000 0.898 25 D CB -0.264 40.535 40.800 -0.002 0.000 0.906 25 D HN 0.432 nan 8.370 nan 0.000 0.457 26 A N -0.431 122.387 122.820 -0.003 0.000 2.415 26 A HA 0.296 4.616 4.320 -0.000 0.000 0.248 26 A C 1.589 179.170 177.584 -0.005 0.000 1.299 26 A CA -0.073 51.962 52.037 -0.004 0.000 0.899 26 A CB 0.559 19.556 19.000 -0.005 0.000 0.997 26 A HN 0.123 nan 8.150 nan 0.000 0.506 27 V N -0.868 119.043 119.914 -0.005 0.000 3.180 27 V HA -0.029 4.091 4.120 -0.000 0.000 0.246 27 V C 1.614 177.706 176.094 -0.004 0.000 1.545 27 V CA 0.859 63.156 62.300 -0.005 0.000 1.138 27 V CB 0.049 31.869 31.823 -0.005 0.000 0.978 27 V HN 0.668 nan 8.190 nan 0.000 0.437 28 K N 2.245 122.642 120.400 -0.004 0.000 2.665 28 K HA 0.010 4.330 4.320 -0.000 0.000 0.196 28 K C 1.204 177.800 176.600 -0.006 0.000 1.021 28 K CA 1.412 57.696 56.287 -0.005 0.000 1.066 28 K CB -0.146 32.351 32.500 -0.005 0.000 0.849 28 K HN 0.521 nan 8.250 nan 0.000 0.500 29 V N -2.715 117.196 119.914 -0.006 0.000 2.908 29 V HA -0.039 4.081 4.120 -0.000 0.000 0.240 29 V C 2.109 178.199 176.094 -0.005 0.000 1.117 29 V CA 0.789 63.086 62.300 -0.006 0.000 1.133 29 V CB -0.301 31.518 31.823 -0.005 0.000 0.857 29 V HN 0.433 nan 8.190 nan 0.000 0.478 30 T N -0.482 114.069 114.554 -0.005 0.000 3.427 30 T HA 0.121 4.470 4.350 -0.000 0.000 0.256 30 T C 0.400 175.098 174.700 -0.004 0.000 1.172 30 T CA 0.127 62.224 62.100 -0.004 0.000 1.018 30 T CB -1.017 67.849 68.868 -0.004 0.000 0.981 30 T HN 0.276 nan 8.240 nan 0.000 0.555 31 L N 2.182 123.403 121.223 -0.004 0.000 2.313 31 L HA 0.594 4.934 4.340 -0.000 0.000 0.282 31 L C 0.969 177.838 176.870 -0.002 0.000 1.092 31 L CA 1.471 56.309 54.840 -0.003 0.000 0.831 31 L CB -0.258 41.798 42.059 -0.005 0.000 1.159 31 L HN 0.645 nan 8.230 nan 0.000 0.442 32 G N 5.032 113.832 108.800 0.000 0.000 2.527 32 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.227 32 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.227 32 G C -2.006 172.896 174.900 0.004 0.000 1.291 32 G CA -0.080 45.022 45.100 0.004 0.000 0.904 32 G HN 0.588 nan 8.290 nan 0.000 0.577 33 P HA 0.203 nan 4.420 nan 0.000 0.221 33 P C 0.933 178.235 177.300 0.004 0.000 1.152 33 P CA 0.864 63.967 63.100 0.004 0.000 0.851 33 P CB 0.195 31.898 31.700 0.005 0.000 0.833 34 K N 1.072 121.476 120.400 0.007 0.000 2.596 34 K HA 0.265 4.585 4.320 -0.000 0.000 0.211 34 K C 1.022 177.623 176.600 0.002 0.000 1.046 34 K CA -0.133 56.157 56.287 0.006 0.000 1.202 34 K CB -0.472 32.035 32.500 0.011 0.000 0.925 34 K HN 0.116 nan 8.250 nan 0.000 0.486 35 G N 1.421 110.221 108.800 0.001 0.000 2.491 35 G HA2 0.138 4.098 3.960 -0.000 0.000 0.242 35 G HA3 0.138 4.098 3.960 -0.000 0.000 0.242 35 G C 0.230 175.129 174.900 -0.002 0.000 1.266 35 G CA -0.452 44.647 45.100 -0.001 0.000 0.844 35 G HN 0.074 nan 8.290 nan 0.000 0.571 36 R N 0.816 121.314 120.500 -0.003 0.000 2.541 36 R HA 0.289 4.629 4.340 -0.000 0.000 0.254 36 R C -0.260 176.039 176.300 -0.003 0.000 1.130 36 R CA -0.901 55.197 56.100 -0.003 0.000 1.152 36 R CB 0.007 30.305 30.300 -0.003 0.000 1.222 36 R HN 0.581 nan 8.270 nan 0.000 0.579 37 N N -1.113 117.586 118.700 -0.002 0.000 2.443 37 N HA 0.399 5.139 4.740 -0.000 0.000 0.295 37 N C -1.160 174.348 175.510 -0.003 0.000 1.076 37 N CA -0.539 52.510 53.050 -0.003 0.000 0.919 37 N CB 1.829 40.315 38.487 -0.002 0.000 1.176 37 N HN 0.085 nan 8.380 nan 0.000 0.487 38 V N 1.878 121.790 119.914 -0.004 0.000 2.540 38 V HA 0.387 4.507 4.120 -0.000 0.000 0.302 38 V C -0.539 175.553 176.094 -0.005 0.000 1.035 38 V CA -0.818 61.479 62.300 -0.005 0.000 0.873 38 V CB 1.773 33.593 31.823 -0.005 0.000 0.992 38 V HN 0.375 nan 8.190 nan 0.000 0.428 39 V N 6.254 126.165 119.914 -0.005 0.000 2.383 39 V HA 0.432 4.552 4.120 -0.000 0.000 0.275 39 V C -0.064 176.026 176.094 -0.007 0.000 1.036 39 V CA -0.472 61.825 62.300 -0.005 0.000 0.889 39 V CB 1.241 33.062 31.823 -0.004 0.000 0.985 39 V HN 0.630 nan 8.190 nan 0.000 0.459 40 L N 3.553 124.772 121.223 -0.007 0.000 2.360 40 L HA 0.395 4.735 4.340 -0.000 0.000 0.265 40 L C 0.202 177.064 176.870 -0.013 0.000 1.066 40 L CA -0.487 54.347 54.840 -0.011 0.000 0.929 40 L CB 0.691 42.743 42.059 -0.011 0.000 1.306 40 L HN 0.630 nan 8.230 nan 0.000 0.434 41 D N 3.056 123.447 120.400 -0.015 0.000 2.629 41 D HA -0.052 4.588 4.640 -0.000 0.000 0.228 41 D C -0.003 176.281 176.300 -0.028 0.000 1.127 41 D CA 1.179 55.167 54.000 -0.019 0.000 0.855 41 D CB 0.887 41.673 40.800 -0.023 0.000 1.180 41 D HN 0.343 nan 8.370 nan 0.000 0.484 42 K N 0.916 121.299 120.400 -0.027 0.000 2.306 42 K HA 0.374 4.694 4.320 -0.000 0.000 0.236 42 K C 1.003 177.563 176.600 -0.068 0.000 1.013 42 K CA -0.581 55.683 56.287 -0.039 0.000 0.857 42 K CB 1.252 33.745 32.500 -0.011 0.000 1.214 42 K HN 0.542 nan 8.250 nan 0.000 0.449 43 S N 0.695 116.315 115.700 -0.133 0.000 2.309 43 S HA 0.059 4.529 4.470 -0.000 0.000 0.206 43 S C 0.466 174.957 174.600 -0.182 0.000 1.028 43 S CA 0.451 58.488 58.200 -0.273 0.000 0.972 43 S CB -0.341 62.532 63.200 -0.544 0.000 0.961 43 S HN 0.362 nan 8.310 nan 0.000 0.449 44 F N 3.145 123.094 119.950 -0.002 0.000 2.404 44 F HA 0.703 5.230 4.527 -0.000 0.000 0.358 44 F C 1.251 177.050 175.800 -0.002 0.000 1.120 44 F CA 0.041 58.040 58.000 -0.002 0.000 1.144 44 F CB 0.560 39.559 39.000 -0.002 0.000 1.133 44 F HN 0.818 nan 8.300 nan 0.000 0.495 45 G N 1.368 110.280 108.800 0.185 0.000 2.342 45 G HA2 0.374 4.334 3.960 -0.000 0.000 0.220 45 G HA3 0.374 4.334 3.960 -0.000 0.000 0.220 45 G C -1.460 173.477 174.900 0.062 0.000 1.243 45 G CA -0.568 44.592 45.100 0.101 0.000 1.083 45 G HN 0.911 nan 8.290 nan 0.000 0.500 46 A N 0.502 123.347 122.820 0.042 0.000 2.303 46 A HA 0.878 5.198 4.320 -0.000 0.000 0.317 46 A C -1.667 175.928 177.584 0.019 0.000 1.149 46 A CA -0.774 51.279 52.037 0.027 0.000 0.822 46 A CB 0.248 19.260 19.000 0.021 0.000 1.131 46 A HN 0.669 nan 8.150 nan 0.000 0.493 47 P HA 0.164 nan 4.420 nan 0.000 0.270 47 P C -0.279 177.024 177.300 0.005 0.000 1.221 47 P CA 0.351 63.454 63.100 0.005 0.000 0.788 47 P CB 0.349 32.050 31.700 0.002 0.000 0.904 48 T N 1.660 116.214 114.554 0.001 0.000 2.797 48 T HA 0.557 4.907 4.350 -0.000 0.000 0.279 48 T C 0.044 174.744 174.700 -0.000 0.000 0.991 48 T CA -0.342 61.759 62.100 0.002 0.000 0.979 48 T CB 0.252 69.121 68.868 0.001 0.000 0.943 48 T HN 0.153 nan 8.240 nan 0.000 0.444 49 I N 2.603 123.173 120.570 0.001 0.000 2.362 49 I HA 0.594 4.764 4.170 -0.000 0.000 0.289 49 I C 0.384 176.500 176.117 -0.001 0.000 0.994 49 I CA -0.506 60.794 61.300 -0.000 0.000 1.158 49 I CB 1.802 39.803 38.000 0.001 0.000 1.315 49 I HN 0.517 nan 8.210 nan 0.000 0.451 50 T N 4.139 118.692 114.554 -0.002 0.000 2.762 50 T HA 0.418 4.768 4.350 -0.000 0.000 0.301 50 T C -0.339 174.359 174.700 -0.003 0.000 1.299 50 T CA -0.558 61.540 62.100 -0.002 0.000 1.005 50 T CB 1.820 70.686 68.868 -0.003 0.000 1.377 50 T HN 0.682 nan 8.240 nan 0.000 0.504 51 K N 0.776 121.174 120.400 -0.003 0.000 2.564 51 K HA 0.210 4.530 4.320 -0.000 0.000 0.201 51 K C -0.894 175.703 176.600 -0.005 0.000 1.086 51 K CA -0.251 56.033 56.287 -0.004 0.000 1.062 51 K CB 0.631 33.129 32.500 -0.003 0.000 0.849 51 K HN 0.364 nan 8.250 nan 0.000 0.529 52 D N 0.872 121.268 120.400 -0.006 0.000 2.483 52 D HA 0.090 4.730 4.640 -0.000 0.000 0.220 52 D C 1.320 177.615 176.300 -0.009 0.000 1.173 52 D CA -0.085 53.910 54.000 -0.008 0.000 0.964 52 D CB 0.670 41.465 40.800 -0.008 0.000 1.046 52 D HN 0.279 nan 8.370 nan 0.000 0.517 53 G N 2.037 110.832 108.800 -0.008 0.000 2.581 53 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.223 53 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.223 53 G C 1.443 176.337 174.900 -0.010 0.000 1.094 53 G CA 0.912 46.007 45.100 -0.008 0.000 0.736 53 G HN 0.472 nan 8.290 nan 0.000 0.588 54 V N 0.480 120.387 119.914 -0.012 0.000 2.283 54 V HA -0.123 3.997 4.120 -0.000 0.000 0.243 54 V C 2.983 179.069 176.094 -0.014 0.000 1.039 54 V CA 2.119 64.409 62.300 -0.015 0.000 1.016 54 V CB -0.537 31.274 31.823 -0.019 0.000 0.650 54 V HN 0.364 nan 8.190 nan 0.000 0.449 55 S N -0.117 115.576 115.700 -0.012 0.000 2.399 55 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 55 S C 1.967 176.560 174.600 -0.011 0.000 1.022 55 S CA 1.239 59.432 58.200 -0.011 0.000 0.983 55 S CB -0.106 63.089 63.200 -0.009 0.000 0.803 55 S HN 0.357 nan 8.310 nan 0.000 0.480 56 V N 1.636 121.544 119.914 -0.010 0.000 2.515 56 V HA -0.143 3.977 4.120 -0.000 0.000 0.250 56 V C 2.464 178.552 176.094 -0.011 0.000 1.058 56 V CA 1.474 63.768 62.300 -0.010 0.000 1.064 56 V CB -1.052 30.766 31.823 -0.008 0.000 0.675 56 V HN 0.519 nan 8.190 nan 0.000 0.461 57 A N -0.139 122.675 122.820 -0.011 0.000 1.825 57 A HA -0.209 4.111 4.320 -0.000 0.000 0.214 57 A C 2.327 179.903 177.584 -0.014 0.000 1.206 57 A CA 1.711 53.740 52.037 -0.012 0.000 0.609 57 A CB -0.683 18.309 19.000 -0.014 0.000 0.851 57 A HN 0.383 nan 8.150 nan 0.000 0.445 58 R N -0.310 120.181 120.500 -0.015 0.000 2.196 58 R HA -0.194 4.145 4.340 -0.000 0.000 0.259 58 R C 1.068 177.359 176.300 -0.016 0.000 1.154 58 R CA 1.744 57.835 56.100 -0.016 0.000 0.976 58 R CB -0.351 29.939 30.300 -0.015 0.000 0.888 58 R HN 0.523 nan 8.270 nan 0.000 0.453 59 E N 0.066 120.257 120.200 -0.015 0.000 2.463 59 E HA 0.053 4.403 4.350 -0.000 0.000 0.191 59 E C 0.175 176.766 176.600 -0.015 0.000 1.083 59 E CA 0.202 56.592 56.400 -0.016 0.000 0.872 59 E CB 0.154 29.845 29.700 -0.016 0.000 0.966 59 E HN 0.227 nan 8.360 nan 0.000 0.491 60 I N 1.040 121.602 120.570 -0.013 0.000 2.437 60 I HA 0.305 4.475 4.170 -0.000 0.000 0.298 60 I C 0.182 176.293 176.117 -0.011 0.000 0.984 60 I CA -0.333 60.961 61.300 -0.011 0.000 1.214 60 I CB 1.424 39.418 38.000 -0.009 0.000 1.365 60 I HN -0.022 nan 8.210 nan 0.000 0.469 61 E N 6.374 126.567 120.200 -0.010 0.000 3.397 61 E HA 0.246 4.596 4.350 -0.000 0.000 0.380 61 E C -1.928 174.666 176.600 -0.010 0.000 0.989 61 E CA -0.401 55.993 56.400 -0.009 0.000 0.783 61 E CB 0.999 30.691 29.700 -0.013 0.000 1.334 61 E HN 0.443 nan 8.360 nan 0.000 0.457 62 L N 2.742 123.961 121.223 -0.006 0.000 2.448 62 L HA 0.411 4.751 4.340 -0.000 0.000 0.258 62 L C 1.680 178.540 176.870 -0.016 0.000 1.104 62 L CA -0.469 54.365 54.840 -0.008 0.000 0.800 62 L CB 0.641 42.700 42.059 -0.000 0.000 1.241 62 L HN 0.731 nan 8.230 nan 0.000 0.472 63 E N 0.345 120.533 120.200 -0.021 0.000 2.011 63 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 63 E C 0.451 177.023 176.600 -0.047 0.000 0.980 63 E CA 0.206 56.586 56.400 -0.033 0.000 0.814 63 E CB 0.109 29.790 29.700 -0.031 0.000 0.775 63 E HN 0.694 nan 8.360 nan 0.000 0.454 64 D N 1.319 121.693 120.400 -0.043 0.000 2.518 64 D HA -0.114 4.526 4.640 -0.000 0.000 0.270 64 D C 0.639 176.891 176.300 -0.080 0.000 1.338 64 D CA 0.183 54.142 54.000 -0.068 0.000 0.983 64 D CB 0.505 41.288 40.800 -0.027 0.000 1.126 64 D HN 0.130 nan 8.370 nan 0.000 0.543 65 K N 3.325 123.627 120.400 -0.162 0.000 2.227 65 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 65 K C 1.666 178.252 176.600 -0.023 0.000 1.045 65 K CA 1.340 57.533 56.287 -0.157 0.000 0.931 65 K CB -0.337 31.988 32.500 -0.292 0.000 0.721 65 K HN 0.463 nan 8.250 nan 0.000 0.469 66 F N 1.330 121.267 119.950 -0.021 0.000 2.123 66 F HA -0.006 4.521 4.527 -0.000 0.000 0.289 66 F C 2.455 178.246 175.800 -0.015 0.000 1.099 66 F CA 0.538 58.526 58.000 -0.020 0.000 1.234 66 F CB -1.089 37.896 39.000 -0.025 0.000 1.034 66 F HN 0.076 nan 8.300 nan 0.000 0.479 67 E N 0.319 120.635 120.200 0.192 0.000 2.108 67 E HA -0.350 4.000 4.350 -0.000 0.000 0.203 67 E C 1.884 178.526 176.600 0.071 0.000 1.022 67 E CA 1.859 58.318 56.400 0.099 0.000 0.823 67 E CB -0.678 29.058 29.700 0.060 0.000 0.744 67 E HN 0.417 nan 8.360 nan 0.000 0.456 68 N N 0.594 119.330 118.700 0.059 0.000 2.061 68 N HA -0.199 4.541 4.740 -0.000 0.000 0.193 68 N C 1.928 177.467 175.510 0.048 0.000 1.030 68 N CA 1.649 54.722 53.050 0.038 0.000 0.856 68 N CB -0.072 38.427 38.487 0.020 0.000 1.023 68 N HN 0.082 nan 8.380 nan 0.000 0.424 69 M N -0.417 119.232 119.600 0.081 0.000 2.089 69 M HA -0.150 4.330 4.480 -0.000 0.000 0.257 69 M C 2.185 178.513 176.300 0.047 0.000 1.071 69 M CA 1.900 57.247 55.300 0.077 0.000 1.096 69 M CB -0.802 31.876 32.600 0.131 0.000 1.330 69 M HN 0.432 nan 8.290 nan 0.000 0.403 70 G N -0.261 108.567 108.800 0.046 0.000 2.524 70 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.215 70 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.215 70 G C 1.538 176.449 174.900 0.018 0.000 1.239 70 G CA 0.955 46.070 45.100 0.024 0.000 0.798 70 G HN 0.557 nan 8.290 nan 0.000 0.557 71 A N -0.555 122.277 122.820 0.019 0.000 2.093 71 A HA -0.120 4.200 4.320 -0.000 0.000 0.222 71 A C 2.268 179.855 177.584 0.007 0.000 1.162 71 A CA 1.983 54.026 52.037 0.011 0.000 0.655 71 A CB -0.260 18.747 19.000 0.011 0.000 0.805 71 A HN 0.384 nan 8.150 nan 0.000 0.461 72 Q N -1.437 118.369 119.800 0.010 0.000 2.424 72 Q HA 0.144 4.484 4.340 -0.000 0.000 0.204 72 Q C 1.885 177.884 176.000 -0.001 0.000 0.933 72 Q CA 0.617 56.422 55.803 0.004 0.000 0.929 72 Q CB 0.019 28.763 28.738 0.009 0.000 1.037 72 Q HN 0.830 nan 8.270 nan 0.000 0.511 73 M N -0.796 118.805 119.600 0.001 0.000 2.224 73 M HA -0.079 4.401 4.480 -0.000 0.000 0.253 73 M C 2.220 178.513 176.300 -0.011 0.000 1.115 73 M CA 0.901 56.199 55.300 -0.004 0.000 1.168 73 M CB -0.712 31.890 32.600 0.002 0.000 1.288 73 M HN 0.037 nan 8.290 nan 0.000 0.446 74 V N 1.094 121.005 119.914 -0.005 0.000 2.370 74 V HA -0.329 3.791 4.120 -0.000 0.000 0.252 74 V C 2.192 178.276 176.094 -0.016 0.000 1.068 74 V CA 2.481 64.778 62.300 -0.006 0.000 1.061 74 V CB -0.686 31.139 31.823 0.002 0.000 0.656 74 V HN 0.545 nan 8.190 nan 0.000 0.455 75 K N -0.668 119.722 120.400 -0.016 0.000 2.057 75 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 75 K C 2.332 178.910 176.600 -0.038 0.000 1.049 75 K CA 1.793 58.067 56.287 -0.022 0.000 0.931 75 K CB -0.300 32.191 32.500 -0.016 0.000 0.714 75 K HN 0.565 nan 8.250 nan 0.000 0.440 76 E N 0.453 120.629 120.200 -0.039 0.000 2.204 76 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 76 E C 1.865 178.407 176.600 -0.097 0.000 0.989 76 E CA 0.635 57.001 56.400 -0.056 0.000 0.824 76 E CB 0.130 29.805 29.700 -0.042 0.000 0.756 76 E HN 0.187 nan 8.360 nan 0.000 0.477 77 V N 0.449 120.303 119.914 -0.100 0.000 2.379 77 V HA -0.090 4.030 4.120 -0.000 0.000 0.243 77 V C 2.285 178.239 176.094 -0.233 0.000 1.035 77 V CA 1.581 63.773 62.300 -0.180 0.000 1.035 77 V CB -0.271 31.491 31.823 -0.102 0.000 0.673 77 V HN 0.286 nan 8.190 nan 0.000 0.457 78 A N 0.574 123.328 122.820 -0.110 0.000 1.917 78 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 78 A C 2.525 180.048 177.584 -0.101 0.000 1.182 78 A CA 2.748 54.743 52.037 -0.069 0.000 0.633 78 A CB -1.181 17.804 19.000 -0.025 0.000 0.819 78 A HN 0.907 nan 8.150 nan 0.000 0.448 79 S N -0.176 115.461 115.700 -0.105 0.000 2.440 79 S HA -0.239 4.231 4.470 -0.000 0.000 0.240 79 S C 1.700 176.222 174.600 -0.130 0.000 1.014 79 S CA 1.743 59.887 58.200 -0.094 0.000 0.980 79 S CB -0.430 62.723 63.200 -0.079 0.000 0.775 79 S HN 0.662 nan 8.310 nan 0.000 0.499 80 K N 1.156 121.401 120.400 -0.257 0.000 2.155 80 K HA 0.205 4.525 4.320 -0.000 0.000 0.203 80 K C 2.605 179.120 176.600 -0.141 0.000 1.052 80 K CA 0.880 56.960 56.287 -0.346 0.000 0.948 80 K CB -0.488 31.498 32.500 -0.856 0.000 0.728 80 K HN 0.480 nan 8.250 nan 0.000 0.448 81 A N 1.922 124.716 122.820 -0.045 0.000 1.883 81 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 81 A C 1.932 179.571 177.584 0.093 0.000 1.186 81 A CA 2.119 54.273 52.037 0.195 0.000 0.624 81 A CB -0.815 18.296 19.000 0.185 0.000 0.822 81 A HN 0.307 nan 8.150 nan 0.000 0.444 82 N N -0.018 118.697 118.700 0.024 0.000 2.104 82 N HA -0.156 4.584 4.740 -0.000 0.000 0.190 82 N C 1.212 176.720 175.510 -0.004 0.000 1.024 82 N CA 1.671 54.719 53.050 -0.004 0.000 0.853 82 N CB -0.207 38.262 38.487 -0.030 0.000 1.008 82 N HN 0.430 nan 8.380 nan 0.000 0.424 83 D N -0.552 119.848 120.400 -0.000 0.000 2.178 83 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 83 D C 1.537 177.866 176.300 0.048 0.000 0.980 83 D CA 1.118 55.123 54.000 0.009 0.000 0.842 83 D CB -0.135 40.658 40.800 -0.011 0.000 0.948 83 D HN 0.430 nan 8.370 nan 0.000 0.472 84 A N 0.900 123.770 122.820 0.083 0.000 1.864 84 A HA 0.325 4.645 4.320 -0.000 0.000 0.213 84 A C 2.134 179.773 177.584 0.091 0.000 1.266 84 A CA 1.302 53.399 52.037 0.100 0.000 0.612 84 A CB -0.754 18.334 19.000 0.146 0.000 0.940 84 A HN 0.193 nan 8.150 nan 0.000 0.463 85 A N -1.668 121.203 122.820 0.085 0.000 1.833 85 A HA 0.394 4.714 4.320 -0.000 0.000 0.215 85 A C 1.835 179.466 177.584 0.077 0.000 1.275 85 A CA 2.235 54.316 52.037 0.075 0.000 0.602 85 A CB -0.890 18.146 19.000 0.059 0.000 0.929 85 A HN 1.663 nan 8.150 nan 0.000 0.462 86 G N -2.314 106.500 108.800 0.022 0.000 4.362 86 G HA2 0.324 4.284 3.960 -0.000 0.000 0.220 86 G HA3 0.324 4.284 3.960 -0.000 0.000 0.220 86 G C -0.375 174.491 174.900 -0.057 0.000 0.795 86 G CA 0.750 45.815 45.100 -0.058 0.000 0.920 86 G HN 0.787 nan 8.290 nan 0.000 0.715 87 D N -2.831 117.561 120.400 -0.013 0.000 2.970 87 D HA 0.517 5.157 4.640 -0.000 0.000 0.344 87 D C 1.198 177.506 176.300 0.014 0.000 1.365 87 D CA 1.117 55.112 54.000 -0.008 0.000 0.910 87 D CB 0.265 41.063 40.800 -0.004 0.000 1.445 87 D HN 1.193 nan 8.370 nan 0.000 0.532 88 G N -1.014 107.795 108.800 0.015 0.000 2.308 88 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.221 88 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.221 88 G C 1.399 176.315 174.900 0.027 0.000 1.032 88 G CA 1.154 46.270 45.100 0.027 0.000 0.623 88 G HN 1.281 nan 8.290 nan 0.000 0.506 89 T N -0.661 113.904 114.554 0.018 0.000 2.653 89 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 89 T C 2.216 176.920 174.700 0.007 0.000 1.037 89 T CA 3.204 65.309 62.100 0.009 0.000 1.159 89 T CB -1.215 67.648 68.868 -0.008 0.000 0.859 89 T HN 0.692 nan 8.240 nan 0.000 0.449 90 T N 1.394 115.950 114.554 0.004 0.000 2.867 90 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 90 T C 2.223 176.927 174.700 0.007 0.000 1.057 90 T CA 1.750 63.852 62.100 0.002 0.000 1.136 90 T CB -0.785 68.083 68.868 -0.000 0.000 0.874 90 T HN 0.650 nan 8.240 nan 0.000 0.466 91 T N 2.077 116.638 114.554 0.012 0.000 2.732 91 T HA 0.101 4.451 4.350 -0.000 0.000 0.261 91 T C 2.507 177.220 174.700 0.022 0.000 1.040 91 T CA 0.910 63.020 62.100 0.015 0.000 1.145 91 T CB -0.699 68.180 68.868 0.018 0.000 0.866 91 T HN 0.401 nan 8.240 nan 0.000 0.427 92 A N 2.031 124.871 122.820 0.034 0.000 1.869 92 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 92 A C 2.563 180.166 177.584 0.031 0.000 1.203 92 A CA 2.604 54.670 52.037 0.048 0.000 0.638 92 A CB -1.682 17.359 19.000 0.069 0.000 0.831 92 A HN 0.482 nan 8.150 nan 0.000 0.450 93 T N -0.783 113.782 114.554 0.020 0.000 2.653 93 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 93 T C 1.826 176.532 174.700 0.010 0.000 1.035 93 T CA 1.827 63.934 62.100 0.011 0.000 1.154 93 T CB -0.706 68.165 68.868 0.004 0.000 0.862 93 T HN 0.417 nan 8.240 nan 0.000 0.441 94 V N 0.495 120.415 119.914 0.009 0.000 2.667 94 V HA 0.024 4.144 4.120 -0.000 0.000 0.252 94 V C 2.046 178.145 176.094 0.008 0.000 1.065 94 V CA 1.227 63.531 62.300 0.006 0.000 1.083 94 V CB -0.482 31.342 31.823 0.003 0.000 0.692 94 V HN 0.478 nan 8.190 nan 0.000 0.468 95 L N 0.034 121.265 121.223 0.013 0.000 2.007 95 L HA 0.035 4.375 4.340 -0.000 0.000 0.205 95 L C 2.881 179.760 176.870 0.016 0.000 1.073 95 L CA 1.527 56.376 54.840 0.015 0.000 0.744 95 L CB -0.932 41.139 42.059 0.021 0.000 0.898 95 L HN 0.394 nan 8.230 nan 0.000 0.435 96 A N -0.469 122.363 122.820 0.021 0.000 1.869 96 A HA -0.362 3.957 4.320 -0.000 0.000 0.218 96 A C 2.216 179.808 177.584 0.013 0.000 1.203 96 A CA 2.306 54.355 52.037 0.020 0.000 0.638 96 A CB -0.962 18.051 19.000 0.022 0.000 0.831 96 A HN 0.523 nan 8.150 nan 0.000 0.450 97 Q N -0.735 119.071 119.800 0.010 0.000 2.082 97 Q HA -0.298 4.042 4.340 -0.000 0.000 0.211 97 Q C 2.295 178.299 176.000 0.005 0.000 1.002 97 Q CA 2.447 58.254 55.803 0.007 0.000 0.868 97 Q CB -0.429 28.311 28.738 0.004 0.000 0.931 97 Q HN 0.654 nan 8.270 nan 0.000 0.414 98 A N 0.552 123.375 122.820 0.005 0.000 1.908 98 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 98 A C 2.000 179.587 177.584 0.004 0.000 1.181 98 A CA 1.741 53.780 52.037 0.004 0.000 0.627 98 A CB -0.711 18.291 19.000 0.003 0.000 0.818 98 A HN 0.485 nan 8.150 nan 0.000 0.445 99 I N -0.358 120.216 120.570 0.007 0.000 2.133 99 I HA -0.229 3.941 4.170 -0.000 0.000 0.238 99 I C 2.326 178.447 176.117 0.006 0.000 1.074 99 I CA 1.393 62.697 61.300 0.007 0.000 1.342 99 I CB -0.535 37.471 38.000 0.010 0.000 1.053 99 I HN 0.264 nan 8.210 nan 0.000 0.404 100 I N 0.871 121.445 120.570 0.007 0.000 2.194 100 I HA -0.314 3.856 4.170 -0.000 0.000 0.246 100 I C 2.588 178.707 176.117 0.004 0.000 1.093 100 I CA 1.842 63.145 61.300 0.005 0.000 1.355 100 I CB -0.945 37.059 38.000 0.006 0.000 1.046 100 I HN 0.323 nan 8.210 nan 0.000 0.413 101 T N -0.097 114.460 114.554 0.003 0.000 2.788 101 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 101 T C 1.783 176.484 174.700 0.002 0.000 1.044 101 T CA 1.216 63.317 62.100 0.002 0.000 1.139 101 T CB -0.141 68.728 68.868 0.002 0.000 0.867 101 T HN 0.305 nan 8.240 nan 0.000 0.454 102 E N 0.347 120.548 120.200 0.002 0.000 2.318 102 E HA 0.136 4.486 4.350 -0.000 0.000 0.193 102 E C 2.408 179.009 176.600 0.002 0.000 0.998 102 E CA 0.434 56.835 56.400 0.002 0.000 0.859 102 E CB -0.434 29.267 29.700 0.001 0.000 0.812 102 E HN 0.535 nan 8.360 nan 0.000 0.492 103 G N 1.681 110.483 108.800 0.002 0.000 2.464 103 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.214 103 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.214 103 G C 1.621 176.521 174.900 0.001 0.000 1.218 103 G CA 0.413 45.514 45.100 0.002 0.000 0.794 103 G HN 0.185 nan 8.290 nan 0.000 0.542 104 L N 0.330 121.554 121.223 0.001 0.000 2.261 104 L HA -0.051 4.289 4.340 -0.000 0.000 0.216 104 L C 2.708 179.578 176.870 0.000 0.000 1.114 104 L CA 1.168 56.008 54.840 -0.000 0.000 0.777 104 L CB -0.345 41.713 42.059 -0.001 0.000 0.910 104 L HN 0.243 nan 8.230 nan 0.000 0.440 105 K N 0.296 120.696 120.400 0.001 0.000 2.288 105 K HA -0.074 4.246 4.320 -0.000 0.000 0.201 105 K C 2.081 178.682 176.600 0.001 0.000 1.048 105 K CA 0.914 57.202 56.287 0.001 0.000 0.956 105 K CB 0.117 32.618 32.500 0.001 0.000 0.746 105 K HN 0.298 nan 8.250 nan 0.000 0.461 106 A N 0.199 123.019 122.820 0.001 0.000 1.862 106 A HA -0.016 4.304 4.320 -0.000 0.000 0.211 106 A C 2.090 179.673 177.584 -0.000 0.000 1.220 106 A CA 0.766 52.803 52.037 0.000 0.000 0.616 106 A CB -0.640 18.360 19.000 0.000 0.000 0.878 106 A HN 0.062 nan 8.150 nan 0.000 0.453 107 V N 0.511 120.424 119.914 -0.001 0.000 2.222 107 V HA -0.366 3.754 4.120 -0.000 0.000 0.252 107 V C 2.956 179.049 176.094 -0.001 0.000 1.060 107 V CA 2.392 64.691 62.300 -0.001 0.000 1.027 107 V CB -1.325 30.497 31.823 -0.002 0.000 0.644 107 V HN 0.609 nan 8.190 nan 0.000 0.448 108 A N -0.670 122.150 122.820 0.000 0.000 2.225 108 A HA 0.102 4.422 4.320 -0.000 0.000 0.215 108 A C 2.111 179.696 177.584 0.001 0.000 1.164 108 A CA 1.581 53.618 52.037 0.001 0.000 0.710 108 A CB -0.539 18.462 19.000 0.002 0.000 0.780 108 A HN 0.668 nan 8.150 nan 0.000 0.473 109 A N -2.147 120.674 122.820 0.001 0.000 2.238 109 A HA 0.450 4.770 4.320 -0.000 0.000 0.210 109 A C 1.606 179.190 177.584 -0.000 0.000 1.179 109 A CA 1.166 53.203 52.037 0.001 0.000 0.827 109 A CB -0.320 18.680 19.000 0.000 0.000 0.856 109 A HN 1.677 nan 8.150 nan 0.000 0.488 110 G N -1.923 106.876 108.800 -0.001 0.000 2.183 110 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.168 110 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.168 110 G C 0.077 174.976 174.900 -0.002 0.000 1.008 110 G CA 0.035 45.135 45.100 -0.002 0.000 0.677 110 G HN 0.283 nan 8.290 nan 0.000 0.498 111 M N 0.726 120.325 119.600 -0.002 0.000 2.368 111 M HA 0.375 4.855 4.480 -0.000 0.000 0.311 111 M C 0.547 176.845 176.300 -0.003 0.000 1.168 111 M CA -0.796 54.502 55.300 -0.003 0.000 1.044 111 M CB 0.786 33.385 32.600 -0.002 0.000 1.506 111 M HN 0.146 nan 8.290 nan 0.000 0.475 112 N N 1.536 120.234 118.700 -0.004 0.000 2.497 112 N HA 0.128 4.868 4.740 -0.000 0.000 0.271 112 N C -2.287 173.220 175.510 -0.004 0.000 1.142 112 N CA -1.268 51.779 53.050 -0.005 0.000 0.965 112 N CB 1.352 39.836 38.487 -0.005 0.000 1.077 112 N HN 0.244 nan 8.380 nan 0.000 0.462 113 P HA -0.044 nan 4.420 nan 0.000 0.213 113 P C 1.739 179.037 177.300 -0.003 0.000 1.170 113 P CA 1.180 64.278 63.100 -0.004 0.000 0.893 113 P CB 0.178 31.875 31.700 -0.006 0.000 0.784 114 M N -0.544 119.053 119.600 -0.005 0.000 2.337 114 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 114 M C 1.117 177.415 176.300 -0.003 0.000 1.067 114 M CA 1.649 56.947 55.300 -0.004 0.000 1.074 114 M CB -1.453 31.144 32.600 -0.006 0.000 1.395 114 M HN 0.010 nan 8.290 nan 0.000 0.431 115 D N -0.153 120.246 120.400 -0.003 0.000 2.197 115 D HA 0.036 4.676 4.640 -0.000 0.000 0.212 115 D C 2.238 178.537 176.300 -0.001 0.000 0.963 115 D CA 0.677 54.675 54.000 -0.002 0.000 0.864 115 D CB -0.166 40.632 40.800 -0.003 0.000 1.009 115 D HN 0.299 nan 8.370 nan 0.000 0.479 116 L N 1.053 122.276 121.223 -0.001 0.000 2.089 116 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 116 L C 2.475 179.346 176.870 0.001 0.000 1.079 116 L CA 1.232 56.072 54.840 -0.000 0.000 0.758 116 L CB -0.361 41.698 42.059 -0.000 0.000 0.891 116 L HN 0.038 nan 8.230 nan 0.000 0.433 117 K N 0.296 120.696 120.400 0.001 0.000 2.097 117 K HA -0.206 4.114 4.320 -0.000 0.000 0.205 117 K C 2.304 178.905 176.600 0.002 0.000 1.050 117 K CA 1.144 57.432 56.287 0.002 0.000 0.938 117 K CB 0.060 32.561 32.500 0.003 0.000 0.718 117 K HN 0.122 nan 8.250 nan 0.000 0.442 118 R N -0.198 120.303 120.500 0.000 0.000 2.057 118 R HA -0.052 4.288 4.340 -0.000 0.000 0.229 118 R C 2.369 178.669 176.300 -0.001 0.000 1.136 118 R CA 1.583 57.683 56.100 -0.000 0.000 0.952 118 R CB -0.650 29.650 30.300 -0.001 0.000 0.848 118 R HN 0.380 nan 8.270 nan 0.000 0.430 119 G N 1.167 109.966 108.800 -0.000 0.000 2.513 119 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 119 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 119 G C 1.442 176.342 174.900 -0.000 0.000 1.160 119 G CA 1.248 46.348 45.100 -0.000 0.000 0.767 119 G HN 0.291 nan 8.290 nan 0.000 0.571 120 I N 0.654 121.224 120.570 0.001 0.000 2.142 120 I HA -0.131 4.039 4.170 -0.000 0.000 0.240 120 I C 2.261 178.378 176.117 -0.000 0.000 1.078 120 I CA 1.347 62.648 61.300 0.001 0.000 1.343 120 I CB -0.188 37.814 38.000 0.003 0.000 1.046 120 I HN 0.090 nan 8.210 nan 0.000 0.405 121 D N 0.524 120.924 120.400 -0.000 0.000 2.263 121 D HA -0.186 4.454 4.640 -0.000 0.000 0.208 121 D C 2.011 178.308 176.300 -0.005 0.000 0.971 121 D CA 1.001 54.999 54.000 -0.002 0.000 0.867 121 D CB -0.021 40.778 40.800 -0.001 0.000 0.929 121 D HN 0.344 nan 8.370 nan 0.000 0.492 122 K N 0.835 121.233 120.400 -0.003 0.000 2.005 122 K HA -0.025 4.295 4.320 -0.000 0.000 0.206 122 K C 2.129 178.727 176.600 -0.004 0.000 1.044 122 K CA 0.946 57.231 56.287 -0.004 0.000 0.942 122 K CB -0.027 32.471 32.500 -0.002 0.000 0.727 122 K HN -0.068 nan 8.250 nan 0.000 0.439 123 A N 0.877 123.696 122.820 -0.003 0.000 1.997 123 A HA -0.175 4.144 4.320 -0.000 0.000 0.221 123 A C 2.198 179.780 177.584 -0.004 0.000 1.172 123 A CA 1.949 53.984 52.037 -0.002 0.000 0.645 123 A CB -0.736 18.263 19.000 -0.001 0.000 0.813 123 A HN 0.218 nan 8.150 nan 0.000 0.454 124 V N -0.785 119.126 119.914 -0.006 0.000 2.256 124 V HA -0.186 3.934 4.120 -0.000 0.000 0.240 124 V C 2.667 178.753 176.094 -0.013 0.000 1.036 124 V CA 2.343 64.637 62.300 -0.010 0.000 1.008 124 V CB -1.283 30.533 31.823 -0.012 0.000 0.648 124 V HN 0.602 nan 8.190 nan 0.000 0.453 125 T N 0.639 115.185 114.554 -0.014 0.000 2.792 125 T HA -0.267 4.083 4.350 -0.000 0.000 0.268 125 T C 1.823 176.516 174.700 -0.011 0.000 1.059 125 T CA 1.716 63.808 62.100 -0.015 0.000 1.136 125 T CB -0.419 68.442 68.868 -0.012 0.000 0.846 125 T HN 0.572 nan 8.240 nan 0.000 0.489 126 A N 1.371 124.187 122.820 -0.008 0.000 1.843 126 A HA 0.435 4.755 4.320 -0.000 0.000 0.213 126 A C 2.709 180.290 177.584 -0.005 0.000 1.202 126 A CA 1.270 53.304 52.037 -0.005 0.000 0.607 126 A CB -1.248 17.750 19.000 -0.003 0.000 0.847 126 A HN 0.481 nan 8.150 nan 0.000 0.445 127 A N -0.333 122.484 122.820 -0.005 0.000 2.032 127 A HA -0.039 4.281 4.320 -0.000 0.000 0.221 127 A C 2.099 179.679 177.584 -0.006 0.000 1.165 127 A CA 1.854 53.889 52.037 -0.003 0.000 0.645 127 A CB -0.925 18.073 19.000 -0.003 0.000 0.807 127 A HN 0.448 nan 8.150 nan 0.000 0.453 128 V N -0.330 119.577 119.914 -0.012 0.000 2.626 128 V HA -0.238 3.882 4.120 -0.000 0.000 0.252 128 V C 2.258 178.345 176.094 -0.012 0.000 1.067 128 V CA 2.223 64.513 62.300 -0.016 0.000 1.081 128 V CB -0.717 31.090 31.823 -0.025 0.000 0.686 128 V HN 0.658 nan 8.190 nan 0.000 0.468 129 E N -0.243 119.953 120.200 -0.008 0.000 2.075 129 E HA -0.136 4.213 4.350 -0.000 0.000 0.190 129 E C 2.171 178.771 176.600 -0.001 0.000 0.969 129 E CA 0.553 56.950 56.400 -0.005 0.000 0.815 129 E CB -0.092 29.605 29.700 -0.004 0.000 0.776 129 E HN 0.424 nan 8.360 nan 0.000 0.457 130 E N 0.988 121.188 120.200 0.000 0.000 2.273 130 E HA -0.199 4.151 4.350 -0.000 0.000 0.198 130 E C 1.708 178.311 176.600 0.005 0.000 1.002 130 E CA 0.566 56.968 56.400 0.004 0.000 0.828 130 E CB -0.035 29.668 29.700 0.004 0.000 0.747 130 E HN 0.121 nan 8.360 nan 0.000 0.491 131 L N 0.218 121.443 121.223 0.003 0.000 2.162 131 L HA 0.021 4.361 4.340 -0.000 0.000 0.205 131 L C 1.673 178.546 176.870 0.004 0.000 1.086 131 L CA 1.316 56.158 54.840 0.004 0.000 0.778 131 L CB -0.017 42.042 42.059 0.000 0.000 0.928 131 L HN -0.078 nan 8.230 nan 0.000 0.446 132 K N -0.409 119.991 120.400 0.001 0.000 2.574 132 K HA -0.027 4.293 4.320 -0.000 0.000 0.193 132 K C 1.763 178.365 176.600 0.004 0.000 1.035 132 K CA 0.572 56.861 56.287 0.002 0.000 0.982 132 K CB -0.062 32.438 32.500 -0.001 0.000 0.795 132 K HN 0.442 nan 8.250 nan 0.000 0.491 133 A N 1.439 124.263 122.820 0.006 0.000 1.835 133 A HA -0.067 4.253 4.320 -0.000 0.000 0.213 133 A C 1.986 179.577 177.584 0.011 0.000 1.210 133 A CA 0.686 52.728 52.037 0.008 0.000 0.605 133 A CB -0.479 18.526 19.000 0.009 0.000 0.860 133 A HN 0.106 nan 8.150 nan 0.000 0.447 134 L N 0.459 121.689 121.223 0.013 0.000 2.081 134 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 134 L C 1.553 178.433 176.870 0.015 0.000 1.080 134 L CA 1.217 56.067 54.840 0.017 0.000 0.754 134 L CB -1.272 40.800 42.059 0.020 0.000 0.893 134 L HN 0.431 nan 8.230 nan 0.000 0.433 135 S N 0.454 116.162 115.700 0.012 0.000 3.225 135 S HA -0.015 4.455 4.470 -0.000 0.000 0.378 135 S C -0.106 174.501 174.600 0.011 0.000 1.190 135 S CA -0.277 57.929 58.200 0.011 0.000 1.104 135 S CB -0.136 63.069 63.200 0.008 0.000 0.795 135 S HN 0.079 nan 8.310 nan 0.000 0.517 136 V N 9.807 129.729 119.914 0.012 0.000 2.311 136 V HA 0.310 4.430 4.120 -0.000 0.000 0.275 136 V C -1.662 174.438 176.094 0.010 0.000 1.022 136 V CA -1.749 60.558 62.300 0.012 0.000 0.830 136 V CB 0.794 32.626 31.823 0.014 0.000 1.012 136 V HN 0.762 nan 8.190 nan 0.000 0.452 137 P HA -0.128 nan 4.420 nan 0.000 0.275 137 P C -0.147 177.158 177.300 0.007 0.000 1.227 137 P CA 0.192 63.296 63.100 0.007 0.000 0.808 137 P CB 0.309 32.013 31.700 0.006 0.000 0.858 138 C N 0.977 120.280 119.300 0.006 0.000 3.079 138 C HA 0.306 4.766 4.460 -0.000 0.000 0.246 138 C C 1.177 176.169 174.990 0.004 0.000 1.025 138 C CA 0.033 59.054 59.018 0.006 0.000 1.081 138 C CB -1.351 26.393 27.740 0.007 0.000 1.757 138 C HN 0.549 nan 8.230 nan 0.000 0.646 139 S N 0.609 116.311 115.700 0.003 0.000 2.527 139 S HA 0.087 4.556 4.470 -0.000 0.000 0.227 139 S C 0.357 174.958 174.600 0.001 0.000 1.059 139 S CA 0.170 58.371 58.200 0.002 0.000 0.919 139 S CB 0.047 63.248 63.200 0.002 0.000 0.805 139 S HN 0.922 nan 8.310 nan 0.000 0.500 140 D N 2.344 122.745 120.400 0.002 0.000 2.348 140 D HA 0.083 4.723 4.640 -0.000 0.000 0.253 140 D C 0.681 176.981 176.300 0.001 0.000 1.161 140 D CA 0.008 54.009 54.000 0.001 0.000 0.876 140 D CB 1.125 41.926 40.800 0.002 0.000 1.160 140 D HN 0.161 nan 8.370 nan 0.000 0.459 141 S N 1.704 117.404 115.700 0.000 0.000 2.559 141 S HA -0.245 4.225 4.470 -0.000 0.000 0.250 141 S C 1.354 175.955 174.600 0.001 0.000 0.977 141 S CA 0.722 58.922 58.200 -0.000 0.000 0.958 141 S CB -0.300 62.900 63.200 -0.001 0.000 0.751 141 S HN 0.661 nan 8.310 nan 0.000 0.534 142 K N 1.354 121.755 120.400 0.002 0.000 2.141 142 K HA 0.253 4.573 4.320 -0.000 0.000 0.202 142 K C 2.243 178.845 176.600 0.003 0.000 1.045 142 K CA 0.745 57.034 56.287 0.002 0.000 0.971 142 K CB -0.431 32.071 32.500 0.003 0.000 0.795 142 K HN 0.352 nan 8.250 nan 0.000 0.459 143 A N 1.354 124.176 122.820 0.004 0.000 2.014 143 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 143 A C 1.981 179.569 177.584 0.005 0.000 1.163 143 A CA 0.761 52.801 52.037 0.005 0.000 0.652 143 A CB -0.435 18.568 19.000 0.006 0.000 0.808 143 A HN 0.324 nan 8.150 nan 0.000 0.449 144 I N -0.325 120.248 120.570 0.004 0.000 2.286 144 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 144 I C 2.953 179.072 176.117 0.004 0.000 1.115 144 I CA 0.981 62.283 61.300 0.004 0.000 1.392 144 I CB -0.271 37.729 38.000 0.001 0.000 1.065 144 I HN 0.390 nan 8.210 nan 0.000 0.418 145 A N 0.346 123.168 122.820 0.003 0.000 1.877 145 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 145 A C 2.205 179.792 177.584 0.005 0.000 1.186 145 A CA 1.590 53.630 52.037 0.004 0.000 0.620 145 A CB -0.707 18.295 19.000 0.003 0.000 0.822 145 A HN 0.462 nan 8.150 nan 0.000 0.443 146 Q N -0.497 119.307 119.800 0.006 0.000 2.152 146 Q HA -0.153 4.187 4.340 -0.000 0.000 0.206 146 Q C 2.128 178.133 176.000 0.008 0.000 0.985 146 Q CA 1.697 57.504 55.803 0.007 0.000 0.863 146 Q CB -0.483 28.259 28.738 0.007 0.000 0.904 146 Q HN 0.514 nan 8.270 nan 0.000 0.422 147 V N 0.337 120.257 119.914 0.009 0.000 2.221 147 V HA -0.192 3.928 4.120 -0.000 0.000 0.242 147 V C 2.294 178.396 176.094 0.012 0.000 1.041 147 V CA 2.078 64.385 62.300 0.011 0.000 0.995 147 V CB -1.283 30.547 31.823 0.012 0.000 0.635 147 V HN 0.554 nan 8.190 nan 0.000 0.448 148 G N -0.719 108.088 108.800 0.012 0.000 2.507 148 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.221 148 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.221 148 G C 1.648 176.555 174.900 0.011 0.000 1.119 148 G CA 1.764 46.872 45.100 0.013 0.000 0.751 148 G HN 0.484 nan 8.290 nan 0.000 0.574 149 T N 0.995 115.554 114.554 0.009 0.000 2.821 149 T HA 0.009 4.359 4.350 -0.000 0.000 0.267 149 T C 2.296 177.001 174.700 0.007 0.000 1.046 149 T CA 0.859 62.963 62.100 0.007 0.000 1.139 149 T CB -0.095 68.776 68.868 0.006 0.000 0.871 149 T HN 0.326 nan 8.240 nan 0.000 0.454 150 I N 0.671 121.247 120.570 0.009 0.000 2.876 150 I HA 0.004 4.174 4.170 -0.000 0.000 0.264 150 I C 2.116 178.239 176.117 0.010 0.000 1.204 150 I CA 0.530 61.834 61.300 0.008 0.000 1.485 150 I CB -0.082 37.923 38.000 0.008 0.000 1.103 150 I HN 0.107 nan 8.210 nan 0.000 0.446 151 S N 0.836 116.544 115.700 0.013 0.000 2.527 151 S HA 0.149 4.619 4.470 -0.000 0.000 0.222 151 S C 1.663 176.272 174.600 0.015 0.000 0.985 151 S CA 0.726 58.936 58.200 0.016 0.000 0.921 151 S CB 0.145 63.359 63.200 0.024 0.000 0.772 151 S HN 0.482 nan 8.310 nan 0.000 0.529 152 A N 1.333 124.160 122.820 0.012 0.000 2.500 152 A HA 0.449 4.769 4.320 -0.000 0.000 0.267 152 A C 0.560 178.149 177.584 0.007 0.000 1.290 152 A CA -0.372 51.671 52.037 0.010 0.000 0.928 152 A CB -0.387 18.619 19.000 0.010 0.000 1.066 152 A HN 0.364 nan 8.150 nan 0.000 0.516 153 N N -0.240 118.463 118.700 0.006 0.000 2.746 153 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 153 N C 0.206 175.717 175.510 0.003 0.000 1.055 153 N CA 1.042 54.095 53.050 0.004 0.000 0.699 153 N CB -1.865 36.623 38.487 0.003 0.000 0.919 153 N HN 0.514 nan 8.380 nan 0.000 0.548 154 S N -1.538 114.164 115.700 0.003 0.000 3.490 154 S HA -0.232 4.237 4.470 -0.000 0.000 0.301 154 S C -0.359 174.242 174.600 0.002 0.000 1.233 154 S CA 0.839 59.041 58.200 0.002 0.000 0.914 154 S CB -1.026 62.174 63.200 0.000 0.000 1.047 154 S HN 0.765 nan 8.310 nan 0.000 0.602 155 D N 1.358 121.760 120.400 0.003 0.000 2.441 155 D HA 0.219 4.859 4.640 -0.000 0.000 0.221 155 D C 1.129 177.431 176.300 0.004 0.000 1.156 155 D CA -0.269 53.733 54.000 0.003 0.000 0.896 155 D CB 0.493 41.296 40.800 0.004 0.000 1.028 155 D HN 0.476 nan 8.370 nan 0.000 0.509 156 E N 1.328 121.530 120.200 0.003 0.000 2.171 156 E HA -0.181 4.169 4.350 -0.000 0.000 0.197 156 E C 1.517 178.119 176.600 0.003 0.000 0.997 156 E CA 1.277 57.679 56.400 0.003 0.000 0.810 156 E CB 0.154 29.855 29.700 0.002 0.000 0.738 156 E HN 0.495 nan 8.360 nan 0.000 0.467 157 T N 1.011 115.567 114.554 0.002 0.000 2.699 157 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 157 T C 2.103 176.805 174.700 0.003 0.000 1.036 157 T CA 1.459 63.560 62.100 0.002 0.000 1.147 157 T CB -0.315 68.554 68.868 0.002 0.000 0.862 157 T HN 0.002 nan 8.240 nan 0.000 0.446 158 V N 1.499 121.415 119.914 0.004 0.000 2.216 158 V HA -0.102 4.018 4.120 -0.000 0.000 0.243 158 V C 2.931 179.027 176.094 0.004 0.000 1.044 158 V CA 2.009 64.312 62.300 0.005 0.000 0.995 158 V CB -1.636 30.191 31.823 0.007 0.000 0.633 158 V HN 0.577 nan 8.190 nan 0.000 0.446 159 G N 0.011 108.813 108.800 0.005 0.000 2.663 159 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.222 159 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.222 159 G C 1.632 176.534 174.900 0.002 0.000 1.146 159 G CA 1.794 46.897 45.100 0.004 0.000 0.764 159 G HN 0.543 nan 8.290 nan 0.000 0.608 160 K N 0.066 120.467 120.400 0.002 0.000 1.985 160 K HA 0.016 4.336 4.320 -0.000 0.000 0.210 160 K C 2.635 179.235 176.600 -0.001 0.000 1.047 160 K CA 1.194 57.482 56.287 0.000 0.000 0.932 160 K CB -0.383 32.117 32.500 0.000 0.000 0.716 160 K HN 0.349 nan 8.250 nan 0.000 0.439 161 L N 1.141 122.364 121.223 -0.000 0.000 2.034 161 L HA -0.293 4.047 4.340 -0.000 0.000 0.217 161 L C 2.500 179.368 176.870 -0.003 0.000 1.077 161 L CA 1.634 56.473 54.840 -0.002 0.000 0.769 161 L CB -0.419 41.640 42.059 -0.001 0.000 0.890 161 L HN 0.332 nan 8.230 nan 0.000 0.435 162 I N -0.768 119.801 120.570 -0.003 0.000 2.058 162 I HA -0.338 3.832 4.170 -0.000 0.000 0.235 162 I C 2.811 178.924 176.117 -0.006 0.000 1.053 162 I CA 1.309 62.606 61.300 -0.005 0.000 1.313 162 I CB -0.677 37.321 38.000 -0.003 0.000 1.039 162 I HN 0.255 nan 8.210 nan 0.000 0.396 163 A N 0.573 123.391 122.820 -0.004 0.000 1.915 163 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 163 A C 2.179 179.760 177.584 -0.005 0.000 1.198 163 A CA 2.309 54.343 52.037 -0.004 0.000 0.647 163 A CB -0.889 18.110 19.000 -0.002 0.000 0.825 163 A HN 0.554 nan 8.150 nan 0.000 0.456 164 E N -0.651 119.547 120.200 -0.004 0.000 2.153 164 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 164 E C 2.320 178.916 176.600 -0.007 0.000 0.988 164 E CA 0.834 57.231 56.400 -0.005 0.000 0.811 164 E CB -0.272 29.426 29.700 -0.004 0.000 0.746 164 E HN 0.675 nan 8.360 nan 0.000 0.466 165 A N 1.306 124.121 122.820 -0.008 0.000 1.854 165 A HA -0.143 4.177 4.320 -0.000 0.000 0.214 165 A C 2.180 179.756 177.584 -0.012 0.000 1.192 165 A CA 1.141 53.171 52.037 -0.011 0.000 0.611 165 A CB -0.413 18.579 19.000 -0.014 0.000 0.832 165 A HN 0.104 nan 8.150 nan 0.000 0.442 166 M N -0.838 118.755 119.600 -0.013 0.000 2.213 166 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 166 M C 1.375 177.669 176.300 -0.010 0.000 1.062 166 M CA 1.728 57.020 55.300 -0.013 0.000 1.105 166 M CB -0.586 32.007 32.600 -0.012 0.000 1.385 166 M HN 0.365 nan 8.290 nan 0.000 0.417 167 D N 0.295 120.690 120.400 -0.008 0.000 2.378 167 D HA -0.061 4.579 4.640 -0.000 0.000 0.227 167 D C 1.804 178.100 176.300 -0.007 0.000 1.012 167 D CA 0.750 54.746 54.000 -0.006 0.000 0.905 167 D CB 0.309 41.106 40.800 -0.005 0.000 0.895 167 D HN 0.037 nan 8.370 nan 0.000 0.532 168 K N -0.675 119.720 120.400 -0.008 0.000 2.399 168 K HA 0.115 4.435 4.320 -0.000 0.000 0.196 168 K C 0.881 177.476 176.600 -0.009 0.000 1.103 168 K CA 0.450 56.732 56.287 -0.008 0.000 0.986 168 K CB 1.516 34.011 32.500 -0.008 0.000 0.952 168 K HN 0.152 nan 8.250 nan 0.000 0.541 169 V N -3.006 116.901 119.914 -0.010 0.000 3.261 169 V HA 0.438 4.558 4.120 -0.000 0.000 0.330 169 V C 0.262 176.349 176.094 -0.011 0.000 1.461 169 V CA -0.200 62.093 62.300 -0.011 0.000 1.127 169 V CB 0.090 31.905 31.823 -0.014 0.000 1.044 169 V HN 0.216 nan 8.190 nan 0.000 0.499 170 G N 2.547 111.341 108.800 -0.010 0.000 2.750 170 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.686 170 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.686 170 G C 0.268 175.160 174.900 -0.012 0.000 1.395 170 G CA -0.003 45.091 45.100 -0.010 0.000 0.918 170 G HN 0.779 nan 8.290 nan 0.000 0.594 171 K N 0.359 120.753 120.400 -0.011 0.000 2.585 171 K HA -0.033 4.287 4.320 -0.000 0.000 0.194 171 K C 0.646 177.237 176.600 -0.015 0.000 1.037 171 K CA 1.412 57.692 56.287 -0.012 0.000 0.964 171 K CB 0.373 32.867 32.500 -0.009 0.000 0.787 171 K HN 0.522 nan 8.250 nan 0.000 0.488 172 E N 1.099 121.291 120.200 -0.014 0.000 2.624 172 E HA 0.124 4.474 4.350 -0.000 0.000 0.210 172 E C 0.426 177.016 176.600 -0.017 0.000 0.997 172 E CA -0.095 56.297 56.400 -0.014 0.000 0.999 172 E CB 1.162 30.856 29.700 -0.009 0.000 1.040 172 E HN 0.412 nan 8.360 nan 0.000 0.469 173 G N 0.410 109.198 108.800 -0.020 0.000 2.613 173 G HA2 0.434 4.394 3.960 -0.000 0.000 0.303 173 G HA3 0.434 4.394 3.960 -0.000 0.000 0.303 173 G C -0.063 174.818 174.900 -0.031 0.000 1.312 173 G CA -0.439 44.648 45.100 -0.021 0.000 1.036 173 G HN -0.035 nan 8.290 nan 0.000 0.513 174 V N 0.028 119.923 119.914 -0.030 0.000 2.509 174 V HA 0.570 4.690 4.120 -0.000 0.000 0.284 174 V C -0.100 175.969 176.094 -0.042 0.000 1.047 174 V CA -0.352 61.924 62.300 -0.041 0.000 0.952 174 V CB 0.897 32.698 31.823 -0.037 0.000 0.988 174 V HN 0.483 nan 8.190 nan 0.000 0.469 175 I N 3.145 123.683 120.570 -0.054 0.000 2.571 175 I HA 0.510 4.680 4.170 -0.000 0.000 0.289 175 I C -0.384 175.702 176.117 -0.052 0.000 1.115 175 I CA -0.142 61.129 61.300 -0.049 0.000 1.045 175 I CB 2.471 40.440 38.000 -0.051 0.000 1.238 175 I HN 0.618 nan 8.210 nan 0.000 0.424 176 T N 4.586 119.117 114.554 -0.038 0.000 2.907 176 T HA 0.599 4.949 4.350 -0.000 0.000 0.292 176 T C -0.493 174.195 174.700 -0.020 0.000 1.043 176 T CA -0.720 61.361 62.100 -0.032 0.000 1.003 176 T CB 2.494 71.343 68.868 -0.031 0.000 1.084 176 T HN 0.379 nan 8.240 nan 0.000 0.483 177 V N 0.087 119.994 119.914 -0.012 0.000 2.378 177 V HA 0.637 4.756 4.120 -0.000 0.000 0.288 177 V C -0.174 175.919 176.094 -0.002 0.000 1.016 177 V CA -0.820 61.477 62.300 -0.004 0.000 0.840 177 V CB 0.982 32.807 31.823 0.004 0.000 0.994 177 V HN 0.862 nan 8.190 nan 0.000 0.431 178 E N 2.563 122.761 120.200 -0.004 0.000 2.961 178 E HA 0.421 4.771 4.350 -0.000 0.000 0.254 178 E C -0.918 175.682 176.600 0.000 0.000 1.192 178 E CA -0.929 55.470 56.400 -0.003 0.000 1.069 178 E CB 0.809 30.506 29.700 -0.006 0.000 1.338 178 E HN 0.763 nan 8.360 nan 0.000 0.596 179 D N -0.135 120.265 120.400 0.000 0.000 2.277 179 D HA 0.283 4.922 4.640 -0.000 0.000 0.250 179 D C -0.140 176.160 176.300 -0.000 0.000 1.032 179 D CA -0.220 53.781 54.000 0.001 0.000 0.947 179 D CB 1.480 42.281 40.800 0.002 0.000 1.159 179 D HN 0.440 nan 8.370 nan 0.000 0.460 180 G N -0.921 107.880 108.800 0.001 0.000 2.539 180 G HA2 0.286 4.246 3.960 -0.000 0.000 0.258 180 G HA3 0.286 4.246 3.960 -0.000 0.000 0.258 180 G C 0.840 175.740 174.900 -0.001 0.000 1.202 180 G CA -0.307 44.793 45.100 -0.000 0.000 0.851 180 G HN 0.448 nan 8.290 nan 0.000 0.556 181 T N -2.759 111.794 114.554 -0.001 0.000 3.069 181 T HA 0.469 4.819 4.350 -0.000 0.000 0.252 181 T C 0.976 175.676 174.700 -0.001 0.000 1.053 181 T CA 0.522 62.621 62.100 -0.001 0.000 0.964 181 T CB 0.340 69.207 68.868 -0.002 0.000 1.005 181 T HN 2.009 nan 8.240 nan 0.000 0.532 182 G N 1.999 110.798 108.800 -0.000 0.000 2.421 182 G HA2 0.307 4.267 3.960 -0.000 0.000 0.360 182 G HA3 0.307 4.267 3.960 -0.000 0.000 0.360 182 G C -0.579 174.321 174.900 -0.000 0.000 1.219 182 G CA -0.616 44.484 45.100 -0.000 0.000 1.257 182 G HN 0.620 nan 8.290 nan 0.000 0.609 183 L N -0.004 121.219 121.223 0.000 0.000 0.611 183 L HA -0.184 4.155 4.340 -0.000 0.000 0.356 183 L C 0.485 177.355 176.870 -0.000 0.000 1.007 183 L CA 2.314 57.154 54.840 0.000 0.000 1.222 183 L CB -0.319 41.740 42.059 0.000 0.000 0.016 183 L HN 1.795 nan 8.230 nan 0.000 0.101 184 Q N 1.514 121.314 119.800 -0.000 0.000 2.667 184 Q HA -0.127 4.213 4.340 -0.000 0.000 0.210 184 Q C -0.611 175.388 176.000 -0.001 0.000 1.417 184 Q CA 1.039 56.842 55.803 -0.000 0.000 0.607 184 Q CB -0.582 28.155 28.738 -0.001 0.000 0.739 184 Q HN 0.590 nan 8.270 nan 0.000 0.315 185 D N 3.383 123.783 120.400 -0.001 0.000 2.455 185 D HA 0.041 4.681 4.640 -0.000 0.000 0.241 185 D C 0.305 176.604 176.300 -0.002 0.000 1.138 185 D CA 0.751 54.751 54.000 -0.001 0.000 0.877 185 D CB 0.720 41.519 40.800 -0.001 0.000 1.187 185 D HN 0.309 nan 8.370 nan 0.000 0.451 186 E N 0.304 120.502 120.200 -0.003 0.000 2.221 186 E HA 0.601 4.950 4.350 -0.000 0.000 0.268 186 E C -0.904 175.694 176.600 -0.005 0.000 0.933 186 E CA -0.997 55.401 56.400 -0.004 0.000 0.809 186 E CB 2.282 31.979 29.700 -0.004 0.000 1.190 186 E HN 0.125 nan 8.360 nan 0.000 0.406 187 L N 2.686 123.906 121.223 -0.005 0.000 2.543 187 L HA 0.409 4.749 4.340 -0.000 0.000 0.265 187 L C -2.235 174.631 176.870 -0.007 0.000 0.945 187 L CA -0.287 54.550 54.840 -0.006 0.000 0.869 187 L CB 1.804 43.859 42.059 -0.006 0.000 1.294 187 L HN 0.583 nan 8.230 nan 0.000 0.405 188 D N 3.653 124.048 120.400 -0.008 0.000 2.654 188 D HA 0.417 5.057 4.640 -0.000 0.000 0.231 188 D C -1.250 175.044 176.300 -0.009 0.000 1.239 188 D CA -0.418 53.578 54.000 -0.008 0.000 0.790 188 D CB 2.110 42.906 40.800 -0.007 0.000 1.480 188 D HN 0.301 nan 8.370 nan 0.000 0.442 189 V N 0.395 120.304 119.914 -0.008 0.000 2.439 189 V HA 0.549 4.669 4.120 -0.000 0.000 0.282 189 V C 0.444 176.533 176.094 -0.008 0.000 1.039 189 V CA -0.607 61.688 62.300 -0.009 0.000 0.913 189 V CB 1.179 32.997 31.823 -0.008 0.000 0.983 189 V HN 0.590 nan 8.190 nan 0.000 0.460 190 V N 1.445 121.353 119.914 -0.009 0.000 2.962 190 V HA 0.646 4.766 4.120 -0.000 0.000 0.313 190 V C -0.316 175.774 176.094 -0.007 0.000 1.099 190 V CA -1.035 61.260 62.300 -0.008 0.000 0.971 190 V CB 2.172 33.988 31.823 -0.010 0.000 1.028 190 V HN 0.705 nan 8.190 nan 0.000 0.430 191 E N 2.465 122.663 120.200 -0.004 0.000 2.341 191 E HA 0.469 4.819 4.350 -0.000 0.000 0.256 191 E C 0.354 176.955 176.600 0.001 0.000 1.125 191 E CA 0.845 57.244 56.400 -0.000 0.000 0.939 191 E CB 0.777 30.478 29.700 0.001 0.000 0.991 191 E HN 1.103 nan 8.360 nan 0.000 0.458 192 G N 1.684 110.485 108.800 0.003 0.000 2.911 192 G HA2 0.746 4.706 3.960 -0.000 0.000 0.299 192 G HA3 0.746 4.706 3.960 -0.000 0.000 0.299 192 G C -0.936 173.973 174.900 0.016 0.000 1.283 192 G CA -0.554 44.550 45.100 0.005 0.000 0.805 192 G HN 0.416 nan 8.290 nan 0.000 0.548 193 M N -0.865 118.745 119.600 0.018 0.000 2.790 193 M HA 0.521 5.001 4.480 -0.000 0.000 0.272 193 M C -2.456 173.848 176.300 0.006 0.000 1.168 193 M CA -0.620 54.705 55.300 0.041 0.000 0.829 193 M CB 2.381 35.041 32.600 0.101 0.000 1.675 193 M HN 0.638 nan 8.290 nan 0.000 0.505 194 Q N 2.734 122.547 119.800 0.022 0.000 2.280 194 Q HA 0.549 4.888 4.340 -0.000 0.000 0.259 194 Q C -2.252 173.753 176.000 0.009 0.000 0.964 194 Q CA -0.521 55.224 55.803 -0.096 0.000 0.844 194 Q CB 1.862 30.541 28.738 -0.098 0.000 1.334 194 Q HN 0.583 nan 8.270 nan 0.000 0.423 195 F N -0.027 119.915 119.950 -0.013 0.000 2.579 195 F HA 0.546 5.073 4.527 -0.000 0.000 0.324 195 F C 0.106 175.899 175.800 -0.011 0.000 1.058 195 F CA -1.141 56.854 58.000 -0.009 0.000 0.944 195 F CB 0.973 39.971 39.000 -0.004 0.000 1.245 195 F HN 0.287 nan 8.300 nan 0.000 0.477 196 D N 2.431 122.963 120.400 0.220 0.000 2.982 196 D HA 0.091 4.731 4.640 -0.000 0.000 0.238 196 D C -0.167 176.215 176.300 0.136 0.000 1.168 196 D CA 0.349 54.417 54.000 0.114 0.000 0.947 196 D CB -0.050 40.803 40.800 0.088 0.000 1.147 196 D HN 0.241 nan 8.370 nan 0.000 0.450 197 R N -0.033 120.571 120.500 0.173 0.000 2.686 197 R HA 0.596 4.936 4.340 -0.000 0.000 0.286 197 R C 0.363 176.671 176.300 0.014 0.000 0.969 197 R CA -0.717 55.478 56.100 0.158 0.000 0.898 197 R CB 2.189 32.702 30.300 0.355 0.000 1.183 197 R HN 0.104 nan 8.270 nan 0.000 0.456 198 G N 0.851 109.628 108.800 -0.039 0.000 2.667 198 G HA2 0.454 4.414 3.960 -0.000 0.000 0.310 198 G HA3 0.454 4.414 3.960 -0.000 0.000 0.310 198 G C -0.760 174.098 174.900 -0.069 0.000 1.259 198 G CA -0.567 44.424 45.100 -0.182 0.000 1.019 198 G HN 0.434 nan 8.290 nan 0.000 0.496 199 Y N -0.813 119.510 120.300 0.039 0.000 2.652 199 Y HA 0.270 4.820 4.550 -0.000 0.000 0.344 199 Y C 1.349 177.315 175.900 0.110 0.000 1.254 199 Y CA -1.029 57.106 58.100 0.060 0.000 1.480 199 Y CB 0.187 38.722 38.460 0.125 0.000 1.345 199 Y HN 0.214 nan 8.280 nan 0.000 0.617 200 L N 1.274 122.744 121.223 0.412 0.000 2.240 200 L HA 0.052 4.392 4.340 -0.000 0.000 0.211 200 L C 0.526 177.607 176.870 0.352 0.000 1.106 200 L CA 1.182 56.226 54.840 0.340 0.000 0.793 200 L CB -0.458 41.770 42.059 0.282 0.000 0.927 200 L HN 0.840 nan 8.230 nan 0.000 0.446 201 S N -3.113 112.821 115.700 0.389 0.000 2.547 201 S HA 0.488 4.958 4.470 -0.000 0.000 0.270 201 S C -2.757 171.688 174.600 -0.258 0.000 1.150 201 S CA -1.205 57.040 58.200 0.075 0.000 0.850 201 S CB 2.060 65.284 63.200 0.040 0.000 1.118 201 S HN -0.286 nan 8.310 nan 0.000 0.461 202 P HA 0.218 nan 4.420 nan 0.000 0.317 202 P C 0.249 177.229 177.300 -0.534 0.000 1.427 202 P CA 0.540 63.152 63.100 -0.812 0.000 0.820 202 P CB -0.154 31.076 31.700 -0.784 0.000 1.894 203 Y N -4.559 115.562 120.300 -0.298 0.000 2.843 203 Y HA -0.313 4.237 4.550 -0.000 0.000 0.492 203 Y C 1.960 177.732 175.900 -0.213 0.000 1.055 203 Y CA 1.471 59.409 58.100 -0.270 0.000 2.997 203 Y CB -3.174 35.072 38.460 -0.357 0.000 0.837 203 Y HN 0.082 nan 8.280 nan 0.000 0.553 204 F N 0.473 120.434 119.950 0.018 0.000 2.236 204 F HA -0.125 4.402 4.527 -0.000 0.000 0.302 204 F C 1.505 177.306 175.800 0.002 0.000 1.073 204 F CA 0.979 58.988 58.000 0.014 0.000 1.336 204 F CB -0.756 38.249 39.000 0.007 0.000 1.040 204 F HN -0.010 nan 8.300 nan 0.000 0.507 205 I N 2.485 123.125 120.570 0.117 0.000 2.943 205 I HA -0.222 3.948 4.170 -0.000 0.000 0.296 205 I C 0.760 176.923 176.117 0.076 0.000 1.220 205 I CA 0.530 61.872 61.300 0.069 0.000 1.409 205 I CB -0.116 37.875 38.000 -0.016 0.000 1.374 205 I HN 0.236 nan 8.210 nan 0.000 0.545 206 N N 4.835 123.584 118.700 0.081 0.000 2.184 206 N HA 0.071 4.811 4.740 -0.000 0.000 0.206 206 N C -0.028 175.512 175.510 0.050 0.000 1.151 206 N CA -0.136 52.953 53.050 0.065 0.000 0.878 206 N CB 0.482 39.010 38.487 0.068 0.000 1.014 206 N HN 0.484 nan 8.380 nan 0.000 0.512 207 K N 1.140 121.570 120.400 0.051 0.000 2.842 207 K HA 0.246 4.566 4.320 -0.000 0.000 0.176 207 K C -2.160 174.464 176.600 0.040 0.000 1.080 207 K CA -1.553 54.758 56.287 0.042 0.000 0.954 207 K CB 1.904 34.429 32.500 0.041 0.000 1.203 207 K HN -0.002 nan 8.250 nan 0.000 0.611 208 P HA -0.171 nan 4.420 nan 0.000 0.231 208 P C 0.208 177.521 177.300 0.022 0.000 1.154 208 P CA 1.083 64.198 63.100 0.025 0.000 0.762 208 P CB 0.506 32.218 31.700 0.019 0.000 0.790 209 E N -0.139 120.075 120.200 0.024 0.000 2.016 209 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 209 E C 2.062 178.674 176.600 0.019 0.000 0.985 209 E CA 1.700 58.111 56.400 0.018 0.000 0.802 209 E CB -0.921 28.790 29.700 0.018 0.000 0.762 209 E HN 0.197 nan 8.360 nan 0.000 0.448 210 T N -1.280 113.290 114.554 0.028 0.000 2.942 210 T HA 0.110 4.460 4.350 -0.000 0.000 0.265 210 T C 1.353 176.079 174.700 0.043 0.000 1.062 210 T CA 0.911 63.030 62.100 0.032 0.000 1.139 210 T CB 0.010 68.903 68.868 0.042 0.000 0.883 210 T HN 0.420 nan 8.240 nan 0.000 0.468 211 G N 1.074 109.907 108.800 0.056 0.000 2.130 211 G HA2 0.111 4.071 3.960 -0.000 0.000 0.216 211 G HA3 0.111 4.071 3.960 -0.000 0.000 0.216 211 G C 0.034 175.022 174.900 0.148 0.000 0.999 211 G CA -0.055 45.094 45.100 0.081 0.000 0.686 211 G HN 0.908 nan 8.290 nan 0.000 0.515 212 A N -1.545 121.351 122.820 0.127 0.000 2.486 212 A HA 0.991 5.311 4.320 -0.000 0.000 0.277 212 A C -0.287 177.379 177.584 0.137 0.000 1.282 212 A CA -0.137 52.001 52.037 0.168 0.000 0.784 212 A CB 1.625 20.691 19.000 0.110 0.000 1.350 212 A HN 1.252 nan 8.150 nan 0.000 0.454 213 V N 0.227 120.225 119.914 0.140 0.000 2.769 213 V HA 0.669 4.789 4.120 -0.000 0.000 0.312 213 V C -0.323 175.809 176.094 0.063 0.000 1.058 213 V CA -0.426 61.939 62.300 0.108 0.000 0.952 213 V CB 1.638 33.538 31.823 0.129 0.000 1.019 213 V HN 0.908 nan 8.190 nan 0.000 0.445 214 E N 2.800 123.031 120.200 0.051 0.000 2.274 214 E HA 0.614 4.964 4.350 -0.000 0.000 0.269 214 E C -2.022 174.593 176.600 0.025 0.000 0.891 214 E CA -0.540 55.877 56.400 0.028 0.000 0.784 214 E CB 1.692 31.407 29.700 0.025 0.000 1.225 214 E HN 0.625 nan 8.360 nan 0.000 0.412 215 L N 3.440 124.670 121.223 0.011 0.000 2.381 215 L HA 0.517 4.857 4.340 -0.000 0.000 0.274 215 L C -0.428 176.435 176.870 -0.011 0.000 0.988 215 L CA -0.869 53.975 54.840 0.007 0.000 0.824 215 L CB 1.986 44.050 42.059 0.009 0.000 1.263 215 L HN 0.475 nan 8.230 nan 0.000 0.410 216 E N 1.542 121.733 120.200 -0.015 0.000 2.156 216 E HA 0.299 4.649 4.350 -0.000 0.000 0.279 216 E C -0.145 176.420 176.600 -0.058 0.000 0.965 216 E CA -0.528 55.854 56.400 -0.031 0.000 0.789 216 E CB 1.542 31.230 29.700 -0.021 0.000 1.098 216 E HN 0.635 nan 8.360 nan 0.000 0.397 217 S N 1.732 117.383 115.700 -0.081 0.000 3.614 217 S HA -0.123 4.347 4.470 -0.000 0.000 0.360 217 S C -2.035 172.436 174.600 -0.215 0.000 1.023 217 S CA 0.403 58.520 58.200 -0.139 0.000 1.114 217 S CB -1.331 61.790 63.200 -0.130 0.000 0.907 217 S HN 0.517 nan 8.310 nan 0.000 0.470 218 P HA 0.552 nan 4.420 nan 0.000 0.279 218 P C -0.120 177.052 177.300 -0.214 0.000 1.276 218 P CA -0.605 62.408 63.100 -0.145 0.000 0.801 218 P CB 0.541 32.224 31.700 -0.029 0.000 1.127 219 F N -0.524 119.433 119.950 0.011 0.000 2.432 219 F HA 0.477 5.004 4.527 -0.000 0.000 0.329 219 F C 0.741 176.548 175.800 0.012 0.000 1.076 219 F CA -0.443 57.564 58.000 0.012 0.000 1.018 219 F CB 0.899 39.906 39.000 0.012 0.000 1.201 219 F HN 0.046 nan 8.300 nan 0.000 0.489 220 I N 3.126 123.839 120.570 0.238 0.000 2.569 220 I HA 0.387 4.557 4.170 -0.000 0.000 0.296 220 I C -1.429 174.751 176.117 0.105 0.000 1.028 220 I CA -1.117 60.263 61.300 0.134 0.000 1.082 220 I CB 2.088 40.148 38.000 0.100 0.000 1.264 220 I HN 0.234 nan 8.210 nan 0.000 0.429 221 L N 6.879 128.144 121.223 0.070 0.000 2.280 221 L HA 0.522 4.862 4.340 -0.000 0.000 0.287 221 L C -1.087 175.802 176.870 0.032 0.000 1.023 221 L CA -0.183 54.683 54.840 0.043 0.000 0.819 221 L CB 0.961 43.038 42.059 0.031 0.000 1.212 221 L HN 0.474 nan 8.230 nan 0.000 0.420 222 L N 6.154 127.391 121.223 0.023 0.000 2.301 222 L HA 0.791 5.131 4.340 -0.000 0.000 0.278 222 L C -0.267 176.605 176.870 0.003 0.000 1.022 222 L CA -0.424 54.422 54.840 0.010 0.000 0.854 222 L CB 1.162 43.226 42.059 0.009 0.000 1.226 222 L HN 0.779 nan 8.230 nan 0.000 0.429 223 A N 1.841 124.662 122.820 0.001 0.000 2.381 223 A HA 0.440 4.760 4.320 -0.000 0.000 0.299 223 A C -1.042 176.541 177.584 -0.002 0.000 1.049 223 A CA -0.585 51.453 52.037 0.001 0.000 0.715 223 A CB 1.438 20.441 19.000 0.005 0.000 1.222 223 A HN 0.640 nan 8.150 nan 0.000 0.428 224 D N 2.561 122.958 120.400 -0.004 0.000 2.422 224 D HA 0.485 5.125 4.640 -0.000 0.000 0.227 224 D C -0.046 176.256 176.300 0.003 0.000 1.190 224 D CA 0.418 54.415 54.000 -0.004 0.000 0.905 224 D CB -0.289 40.506 40.800 -0.008 0.000 1.034 224 D HN 0.702 nan 8.370 nan 0.000 0.507 225 K N 0.718 121.123 120.400 0.008 0.000 3.663 225 K HA 0.130 4.449 4.320 -0.000 0.000 0.413 225 K C -1.407 175.203 176.600 0.018 0.000 1.089 225 K CA -1.132 55.163 56.287 0.013 0.000 0.860 225 K CB 0.245 32.752 32.500 0.011 0.000 1.492 225 K HN 0.022 nan 8.250 nan 0.000 0.517 226 K N 0.865 121.277 120.400 0.021 0.000 2.118 226 K HA 0.512 4.832 4.320 -0.000 0.000 0.264 226 K C -0.504 176.111 176.600 0.025 0.000 1.000 226 K CA -0.627 55.675 56.287 0.025 0.000 0.929 226 K CB 0.888 33.404 32.500 0.026 0.000 1.021 226 K HN 0.376 nan 8.250 nan 0.000 0.463 227 I N 1.695 122.284 120.570 0.030 0.000 2.439 227 I HA 0.099 4.268 4.170 -0.000 0.000 0.283 227 I C 0.164 176.302 176.117 0.035 0.000 1.023 227 I CA -0.104 61.215 61.300 0.031 0.000 1.100 227 I CB 1.902 39.922 38.000 0.033 0.000 1.238 227 I HN 0.626 nan 8.210 nan 0.000 0.445 228 S N 2.844 118.562 115.700 0.030 0.000 2.807 228 S HA 0.172 4.642 4.470 -0.000 0.000 0.247 228 S C 0.723 175.339 174.600 0.026 0.000 1.078 228 S CA -0.123 58.095 58.200 0.030 0.000 0.867 228 S CB 0.284 63.499 63.200 0.025 0.000 0.797 228 S HN 0.574 nan 8.310 nan 0.000 0.515 229 N N 2.911 121.624 118.700 0.022 0.000 2.399 229 N HA 0.183 4.923 4.740 -0.000 0.000 0.259 229 N C 0.679 176.201 175.510 0.019 0.000 1.160 229 N CA 0.023 53.084 53.050 0.018 0.000 0.946 229 N CB 0.847 39.343 38.487 0.014 0.000 1.156 229 N HN 0.336 nan 8.380 nan 0.000 0.489 230 I N 3.244 123.826 120.570 0.021 0.000 2.423 230 I HA -0.295 3.875 4.170 -0.000 0.000 0.254 230 I C 1.902 178.029 176.117 0.016 0.000 1.151 230 I CA 1.178 62.492 61.300 0.022 0.000 1.421 230 I CB 0.204 38.217 38.000 0.022 0.000 1.079 230 I HN 0.429 nan 8.210 nan 0.000 0.431 231 R N 0.832 121.340 120.500 0.012 0.000 2.119 231 R HA -0.242 4.098 4.340 -0.000 0.000 0.246 231 R C 1.945 178.249 176.300 0.007 0.000 1.146 231 R CA 2.171 58.276 56.100 0.008 0.000 0.962 231 R CB -0.480 29.824 30.300 0.007 0.000 0.863 231 R HN 0.573 nan 8.270 nan 0.000 0.442 232 E N -0.180 120.025 120.200 0.009 0.000 2.265 232 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 232 E C 1.911 178.514 176.600 0.005 0.000 0.996 232 E CA 0.856 57.260 56.400 0.006 0.000 0.832 232 E CB 0.025 29.730 29.700 0.009 0.000 0.756 232 E HN 0.271 nan 8.360 nan 0.000 0.491 233 M N 0.208 119.813 119.600 0.008 0.000 2.115 233 M HA -0.051 4.429 4.480 -0.000 0.000 0.261 233 M C 2.404 178.704 176.300 0.001 0.000 1.079 233 M CA 1.092 56.396 55.300 0.008 0.000 1.143 233 M CB -1.040 31.571 32.600 0.018 0.000 1.332 233 M HN 0.141 nan 8.290 nan 0.000 0.421 234 L N 0.612 121.837 121.223 0.003 0.000 2.143 234 L HA -0.283 4.057 4.340 -0.000 0.000 0.231 234 L C -0.439 176.425 176.870 -0.010 0.000 1.106 234 L CA 2.067 56.906 54.840 -0.001 0.000 0.827 234 L CB -2.849 39.210 42.059 0.000 0.000 0.915 234 L HN 0.220 nan 8.230 nan 0.000 0.448 235 P HA -0.108 nan 4.420 nan 0.000 0.226 235 P C 1.378 178.659 177.300 -0.032 0.000 1.146 235 P CA 1.363 64.452 63.100 -0.019 0.000 0.773 235 P CB 0.209 31.899 31.700 -0.016 0.000 0.772 236 V N -1.324 118.570 119.914 -0.033 0.000 3.359 236 V HA 0.070 4.190 4.120 -0.000 0.000 0.245 236 V C 2.449 178.513 176.094 -0.051 0.000 1.247 236 V CA 0.236 62.504 62.300 -0.054 0.000 1.145 236 V CB -0.495 31.299 31.823 -0.049 0.000 0.906 236 V HN -0.042 nan 8.190 nan 0.000 0.464 237 L N 0.266 121.475 121.223 -0.023 0.000 2.362 237 L HA -0.070 4.270 4.340 -0.000 0.000 0.219 237 L C 2.236 179.100 176.870 -0.010 0.000 1.134 237 L CA 1.472 56.307 54.840 -0.008 0.000 0.807 237 L CB -0.180 41.885 42.059 0.009 0.000 0.927 237 L HN 0.466 nan 8.230 nan 0.000 0.447 238 E N -0.452 119.736 120.200 -0.020 0.000 2.251 238 E HA 0.036 4.386 4.350 -0.000 0.000 0.194 238 E C 2.132 178.713 176.600 -0.032 0.000 0.964 238 E CA 0.627 57.017 56.400 -0.017 0.000 0.868 238 E CB 0.134 29.826 29.700 -0.013 0.000 0.828 238 E HN 0.389 nan 8.360 nan 0.000 0.481 239 A N 0.966 123.752 122.820 -0.057 0.000 2.168 239 A HA -0.021 4.298 4.320 -0.000 0.000 0.215 239 A C 1.988 179.497 177.584 -0.124 0.000 1.152 239 A CA 0.657 52.642 52.037 -0.086 0.000 0.716 239 A CB 0.088 19.021 19.000 -0.110 0.000 0.794 239 A HN 0.078 nan 8.150 nan 0.000 0.465 240 V N -1.270 118.582 119.914 -0.103 0.000 3.621 240 V HA 0.143 4.262 4.120 -0.000 0.000 0.285 240 V C 2.318 178.421 176.094 0.017 0.000 1.346 240 V CA 0.831 63.081 62.300 -0.084 0.000 1.104 240 V CB 0.038 31.815 31.823 -0.077 0.000 0.913 240 V HN 0.531 nan 8.190 nan 0.000 0.432 241 A N -0.285 122.540 122.820 0.009 0.000 1.975 241 A HA 0.084 4.404 4.320 -0.000 0.000 0.215 241 A C 1.434 179.040 177.584 0.036 0.000 1.170 241 A CA 0.705 52.759 52.037 0.028 0.000 0.656 241 A CB 0.024 19.034 19.000 0.017 0.000 0.821 241 A HN 0.452 nan 8.150 nan 0.000 0.449 242 K N -2.121 118.293 120.400 0.024 0.000 2.118 242 K HA 0.434 4.754 4.320 -0.000 0.000 0.240 242 K C 1.055 177.698 176.600 0.071 0.000 1.035 242 K CA 0.307 56.614 56.287 0.033 0.000 0.899 242 K CB 0.346 32.854 32.500 0.014 0.000 1.085 242 K HN 0.600 nan 8.250 nan 0.000 0.498 243 A N 0.341 123.209 122.820 0.081 0.000 4.029 243 A HA -0.238 4.082 4.320 -0.000 0.000 0.268 243 A C 1.202 178.860 177.584 0.124 0.000 0.943 243 A CA 1.784 53.897 52.037 0.127 0.000 1.137 243 A CB -2.439 16.699 19.000 0.230 0.000 1.074 243 A HN 1.391 nan 8.150 nan 0.000 0.854 244 G N -1.249 107.613 108.800 0.104 0.000 2.321 244 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.287 244 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.287 244 G C -0.015 174.942 174.900 0.094 0.000 1.018 244 G CA 1.520 46.671 45.100 0.085 0.000 0.855 244 G HN 1.172 nan 8.290 nan 0.000 0.507 245 K N 0.732 121.227 120.400 0.157 0.000 2.164 245 K HA 0.520 4.839 4.320 -0.000 0.000 0.258 245 K C -2.014 174.691 176.600 0.174 0.000 0.951 245 K CA -1.993 54.370 56.287 0.127 0.000 0.844 245 K CB 2.351 34.880 32.500 0.048 0.000 1.099 245 K HN 0.069 nan 8.250 nan 0.000 0.435 246 P HA 0.121 nan 4.420 nan 0.000 0.274 246 P C -1.123 176.270 177.300 0.155 0.000 1.260 246 P CA -0.524 62.642 63.100 0.111 0.000 0.793 246 P CB 0.647 32.388 31.700 0.068 0.000 1.048 247 L N 0.303 121.601 121.223 0.125 0.000 2.401 247 L HA 0.563 4.903 4.340 -0.000 0.000 0.266 247 L C -1.409 175.500 176.870 0.065 0.000 0.991 247 L CA -1.042 53.877 54.840 0.131 0.000 0.818 247 L CB 1.687 43.818 42.059 0.119 0.000 1.321 247 L HN 0.177 nan 8.230 nan 0.000 0.413 248 L N 5.125 126.387 121.223 0.065 0.000 2.329 248 L HA 0.664 5.004 4.340 -0.000 0.000 0.279 248 L C -1.218 175.668 176.870 0.027 0.000 1.014 248 L CA -0.229 54.623 54.840 0.021 0.000 0.814 248 L CB 1.442 43.521 42.059 0.033 0.000 1.257 248 L HN 0.429 nan 8.230 nan 0.000 0.424 249 I N 6.801 127.368 120.570 -0.005 0.000 2.355 249 I HA 0.381 4.551 4.170 -0.000 0.000 0.288 249 I C -0.400 175.731 176.117 0.024 0.000 0.999 249 I CA -0.283 61.023 61.300 0.011 0.000 1.163 249 I CB 1.223 39.225 38.000 0.003 0.000 1.316 249 I HN 0.534 nan 8.210 nan 0.000 0.454 250 I N 5.721 126.312 120.570 0.033 0.000 2.439 250 I HA 0.682 4.852 4.170 -0.000 0.000 0.283 250 I C -0.025 176.097 176.117 0.009 0.000 1.023 250 I CA -0.241 61.077 61.300 0.030 0.000 1.100 250 I CB 1.785 39.803 38.000 0.031 0.000 1.238 250 I HN 0.709 nan 8.210 nan 0.000 0.445 251 A N 4.336 127.161 122.820 0.010 0.000 2.588 251 A HA 0.423 4.743 4.320 -0.000 0.000 0.290 251 A C 0.614 178.204 177.584 0.010 0.000 1.136 251 A CA -0.539 51.502 52.037 0.007 0.000 0.681 251 A CB 1.387 20.397 19.000 0.016 0.000 1.282 251 A HN 0.711 nan 8.150 nan 0.000 0.421 252 E N -0.584 119.623 120.200 0.012 0.000 2.147 252 E HA -0.149 4.201 4.350 -0.000 0.000 0.199 252 E C 0.114 176.732 176.600 0.031 0.000 1.005 252 E CA 2.117 58.529 56.400 0.020 0.000 0.810 252 E CB 0.072 29.786 29.700 0.023 0.000 0.736 252 E HN 0.638 nan 8.360 nan 0.000 0.460 253 D N -3.105 117.315 120.400 0.034 0.000 2.940 253 D HA 0.109 4.749 4.640 -0.000 0.000 0.304 253 D C -2.081 174.249 176.300 0.049 0.000 1.255 253 D CA -0.368 53.659 54.000 0.045 0.000 0.734 253 D CB 1.007 41.834 40.800 0.044 0.000 1.261 253 D HN -0.135 nan 8.370 nan 0.000 0.436 254 V N 1.519 121.469 119.914 0.061 0.000 2.610 254 V HA 0.428 4.548 4.120 -0.000 0.000 0.298 254 V C -0.549 175.588 176.094 0.071 0.000 1.067 254 V CA -0.686 61.654 62.300 0.067 0.000 0.894 254 V CB 1.591 33.465 31.823 0.085 0.000 1.015 254 V HN 0.444 nan 8.190 nan 0.000 0.432 255 E N 2.391 122.625 120.200 0.057 0.000 2.250 255 E HA 0.467 4.817 4.350 -0.000 0.000 0.269 255 E C 1.419 178.049 176.600 0.051 0.000 1.018 255 E CA -0.147 56.284 56.400 0.052 0.000 0.873 255 E CB 1.647 31.371 29.700 0.040 0.000 1.134 255 E HN 0.774 nan 8.360 nan 0.000 0.403 256 G N 1.641 110.469 108.800 0.047 0.000 3.437 256 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.238 256 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.238 256 G C 1.222 176.143 174.900 0.036 0.000 1.054 256 G CA 1.669 46.793 45.100 0.040 0.000 0.704 256 G HN 0.542 nan 8.290 nan 0.000 0.713 257 E N 0.717 120.938 120.200 0.034 0.000 2.002 257 E HA 0.133 4.483 4.350 -0.000 0.000 0.196 257 E C 2.944 179.566 176.600 0.036 0.000 0.974 257 E CA 0.963 57.381 56.400 0.029 0.000 0.853 257 E CB -0.857 28.858 29.700 0.025 0.000 0.808 257 E HN 0.332 nan 8.360 nan 0.000 0.492 258 A N 1.016 123.861 122.820 0.041 0.000 2.234 258 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 258 A C 2.077 179.704 177.584 0.073 0.000 1.167 258 A CA 1.155 53.222 52.037 0.050 0.000 0.698 258 A CB -0.464 18.565 19.000 0.048 0.000 0.779 258 A HN 0.326 nan 8.150 nan 0.000 0.475 259 L N -0.604 120.665 121.223 0.077 0.000 2.056 259 L HA 0.209 4.549 4.340 -0.000 0.000 0.202 259 L C 2.510 179.427 176.870 0.079 0.000 1.086 259 L CA 2.111 57.016 54.840 0.109 0.000 0.758 259 L CB -1.006 41.116 42.059 0.106 0.000 0.912 259 L HN 0.224 nan 8.230 nan 0.000 0.446 260 A N -1.665 121.182 122.820 0.045 0.000 2.234 260 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 260 A C 2.051 179.633 177.584 -0.003 0.000 1.167 260 A CA 1.870 53.913 52.037 0.010 0.000 0.698 260 A CB -1.063 17.941 19.000 0.006 0.000 0.779 260 A HN 0.598 nan 8.150 nan 0.000 0.475 261 T N -0.092 114.475 114.554 0.022 0.000 2.814 261 T HA 0.054 4.404 4.350 -0.000 0.000 0.254 261 T C 1.756 176.473 174.700 0.027 0.000 1.037 261 T CA 1.168 63.280 62.100 0.019 0.000 1.143 261 T CB -0.239 68.647 68.868 0.031 0.000 0.866 261 T HN 0.411 nan 8.240 nan 0.000 0.431 262 L N 1.110 122.376 121.223 0.070 0.000 2.156 262 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 262 L C 2.528 179.435 176.870 0.061 0.000 1.095 262 L CA 0.596 55.506 54.840 0.116 0.000 0.770 262 L CB -0.720 41.474 42.059 0.225 0.000 0.914 262 L HN 0.113 nan 8.230 nan 0.000 0.439 263 V N -0.432 119.459 119.914 -0.038 0.000 2.688 263 V HA -0.209 3.911 4.120 -0.000 0.000 0.256 263 V C 2.136 178.106 176.094 -0.207 0.000 1.084 263 V CA 1.298 63.452 62.300 -0.244 0.000 1.103 263 V CB -0.176 31.523 31.823 -0.207 0.000 0.688 263 V HN 0.267 nan 8.190 nan 0.000 0.480 264 V N -1.006 118.838 119.914 -0.117 0.000 3.048 264 V HA -0.013 4.107 4.120 -0.000 0.000 0.241 264 V C 1.912 177.969 176.094 -0.061 0.000 1.129 264 V CA 1.100 63.333 62.300 -0.112 0.000 1.128 264 V CB -0.477 31.291 31.823 -0.092 0.000 0.849 264 V HN 0.496 nan 8.190 nan 0.000 0.475 265 N N 0.984 119.672 118.700 -0.020 0.000 2.084 265 N HA -0.170 4.570 4.740 -0.000 0.000 0.190 265 N C 1.777 177.296 175.510 0.017 0.000 1.030 265 N CA 1.906 54.959 53.050 0.004 0.000 0.849 265 N CB -0.044 38.459 38.487 0.026 0.000 1.012 265 N HN 0.589 nan 8.380 nan 0.000 0.423 266 T N -1.670 112.908 114.554 0.040 0.000 3.194 266 T HA 0.072 4.422 4.350 -0.000 0.000 0.251 266 T C 1.406 176.122 174.700 0.026 0.000 1.132 266 T CA 0.123 62.260 62.100 0.062 0.000 1.028 266 T CB 0.108 69.060 68.868 0.140 0.000 0.976 266 T HN 0.031 nan 8.240 nan 0.000 0.535 267 M N 0.667 120.253 119.600 -0.024 0.000 2.447 267 M HA 0.391 4.871 4.480 -0.000 0.000 0.266 267 M C 2.156 178.432 176.300 -0.040 0.000 1.120 267 M CA 1.050 56.314 55.300 -0.059 0.000 1.166 267 M CB 0.110 32.630 32.600 -0.132 0.000 1.349 267 M HN 0.061 nan 8.290 nan 0.000 0.463 268 R N -0.542 119.940 120.500 -0.030 0.000 2.297 268 R HA 0.294 4.634 4.340 -0.000 0.000 0.197 268 R C 0.869 177.167 176.300 -0.004 0.000 0.943 268 R CA 0.711 56.799 56.100 -0.020 0.000 1.038 268 R CB 0.091 30.379 30.300 -0.020 0.000 0.957 268 R HN 0.599 nan 8.270 nan 0.000 0.484 269 G N 1.127 109.930 108.800 0.006 0.000 2.148 269 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.203 269 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.203 269 G C 0.114 175.027 174.900 0.023 0.000 0.993 269 G CA -0.535 44.575 45.100 0.018 0.000 0.661 269 G HN 0.208 nan 8.290 nan 0.000 0.518 270 I N 1.897 122.480 120.570 0.022 0.000 2.256 270 I HA 0.386 4.556 4.170 -0.000 0.000 0.294 270 I C 0.818 176.959 176.117 0.039 0.000 1.127 270 I CA -0.784 60.532 61.300 0.025 0.000 1.247 270 I CB 0.630 38.640 38.000 0.017 0.000 1.460 270 I HN 0.097 nan 8.210 nan 0.000 0.511 271 V N 4.677 124.618 119.914 0.046 0.000 3.814 271 V HA -0.241 3.879 4.120 -0.000 0.000 0.480 271 V C 0.184 176.323 176.094 0.076 0.000 0.682 271 V CA 0.429 62.765 62.300 0.060 0.000 1.959 271 V CB -1.490 30.367 31.823 0.056 0.000 2.372 271 V HN 0.757 nan 8.190 nan 0.000 0.501 272 K N 3.984 124.434 120.400 0.082 0.000 2.368 272 K HA 0.696 5.016 4.320 -0.000 0.000 0.282 272 K C -0.172 176.497 176.600 0.114 0.000 1.035 272 K CA -0.126 56.224 56.287 0.105 0.000 0.973 272 K CB 1.344 33.901 32.500 0.094 0.000 0.957 272 K HN 0.529 nan 8.250 nan 0.000 0.474 273 V N 0.624 120.631 119.914 0.154 0.000 3.159 273 V HA 0.867 4.987 4.120 -0.000 0.000 0.308 273 V C -1.163 174.957 176.094 0.044 0.000 1.190 273 V CA -1.059 61.304 62.300 0.106 0.000 1.037 273 V CB 2.247 34.136 31.823 0.109 0.000 1.060 273 V HN 0.823 nan 8.190 nan 0.000 0.437 274 A N 1.322 124.009 122.820 -0.221 0.000 2.594 274 A HA 1.038 5.358 4.320 -0.000 0.000 0.295 274 A C -0.913 176.368 177.584 -0.504 0.000 1.071 274 A CA -0.049 51.494 52.037 -0.824 0.000 0.685 274 A CB 1.959 20.599 19.000 -0.600 0.000 1.285 274 A HN 1.956 nan 8.150 nan 0.000 0.405 275 A N 0.186 122.648 122.820 -0.597 0.000 2.498 275 A HA 0.930 5.250 4.320 -0.000 0.000 0.298 275 A C -0.661 176.874 177.584 -0.082 0.000 1.075 275 A CA -0.094 51.828 52.037 -0.192 0.000 0.714 275 A CB 1.572 20.535 19.000 -0.061 0.000 1.299 275 A HN 2.364 nan 8.150 nan 0.000 0.407 276 V N -1.351 118.574 119.914 0.018 0.000 3.048 276 V HA 0.555 4.675 4.120 -0.000 0.000 0.303 276 V C -0.597 175.553 176.094 0.095 0.000 1.214 276 V CA -1.332 61.019 62.300 0.085 0.000 0.984 276 V CB 1.319 33.221 31.823 0.132 0.000 1.054 276 V HN 0.911 nan 8.190 nan 0.000 0.430 277 K N 2.216 122.672 120.400 0.093 0.000 2.469 277 K HA 0.500 4.820 4.320 -0.000 0.000 0.274 277 K C 0.801 177.420 176.600 0.031 0.000 0.983 277 K CA 0.530 56.855 56.287 0.063 0.000 0.974 277 K CB 0.745 33.284 32.500 0.065 0.000 0.913 277 K HN 1.149 nan 8.250 nan 0.000 0.493 278 A N 4.226 127.033 122.820 -0.022 0.000 2.364 278 A HA 0.179 4.499 4.320 -0.000 0.000 0.258 278 A C -2.023 175.460 177.584 -0.167 0.000 1.131 278 A CA -0.746 51.216 52.037 -0.126 0.000 0.800 278 A CB -0.489 18.456 19.000 -0.092 0.000 1.086 278 A HN 0.546 nan 8.150 nan 0.000 0.508 279 P HA 0.404 nan 4.420 nan 0.000 0.284 279 P C 0.692 177.955 177.300 -0.061 0.000 1.253 279 P CA 1.105 64.065 63.100 -0.234 0.000 0.800 279 P CB 0.873 32.332 31.700 -0.403 0.000 0.961 280 G N 2.828 111.653 108.800 0.042 0.000 2.581 280 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.291 280 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.291 280 G C -0.511 174.548 174.900 0.264 0.000 1.277 280 G CA 0.730 45.923 45.100 0.155 0.000 0.959 280 G HN 0.770 nan 8.290 nan 0.000 0.554 281 F N -3.398 116.551 119.950 -0.002 0.000 2.831 281 F HA 0.732 5.258 4.527 -0.000 0.000 0.318 281 F C 0.928 176.734 175.800 0.010 0.000 1.174 281 F CA 0.369 58.370 58.000 0.003 0.000 0.918 281 F CB 0.714 39.722 39.000 0.013 0.000 1.364 281 F HN 2.447 nan 8.300 nan 0.000 0.475 282 G N 0.977 109.782 108.800 0.008 0.000 2.527 282 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.268 282 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.268 282 G C 0.159 175.001 174.900 -0.097 0.000 1.175 282 G CA 0.502 45.542 45.100 -0.099 0.000 0.962 282 G HN 0.908 nan 8.290 nan 0.000 0.560 283 D N 0.963 121.289 120.400 -0.123 0.000 2.249 283 D HA -0.016 4.624 4.640 -0.000 0.000 0.205 283 D C 2.536 178.778 176.300 -0.098 0.000 0.962 283 D CA 1.202 55.153 54.000 -0.082 0.000 0.860 283 D CB -0.029 40.735 40.800 -0.061 0.000 0.955 283 D HN 0.635 nan 8.370 nan 0.000 0.505 284 R N 1.124 121.534 120.500 -0.149 0.000 2.276 284 R HA 0.066 4.406 4.340 -0.000 0.000 0.203 284 R C 2.091 178.318 176.300 -0.121 0.000 1.017 284 R CA 0.353 56.371 56.100 -0.137 0.000 1.010 284 R CB -0.230 29.969 30.300 -0.169 0.000 0.900 284 R HN 0.006 nan 8.270 nan 0.000 0.469 285 R N 2.107 122.536 120.500 -0.117 0.000 2.066 285 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 285 R C 1.237 177.495 176.300 -0.070 0.000 1.131 285 R CA 1.524 57.576 56.100 -0.079 0.000 0.955 285 R CB -0.046 30.234 30.300 -0.033 0.000 0.851 285 R HN 0.222 nan 8.270 nan 0.000 0.432 286 K N -0.093 120.273 120.400 -0.057 0.000 2.442 286 K HA -0.024 4.296 4.320 -0.000 0.000 0.198 286 K C 1.694 178.265 176.600 -0.049 0.000 1.042 286 K CA 0.914 57.173 56.287 -0.045 0.000 0.958 286 K CB 0.173 32.653 32.500 -0.033 0.000 0.766 286 K HN 0.270 nan 8.250 nan 0.000 0.474 287 A N 0.920 123.705 122.820 -0.060 0.000 1.909 287 A HA 0.062 4.382 4.320 -0.000 0.000 0.209 287 A C 2.046 179.592 177.584 -0.063 0.000 1.247 287 A CA 0.253 52.257 52.037 -0.056 0.000 0.660 287 A CB -0.216 18.749 19.000 -0.058 0.000 0.910 287 A HN 0.047 nan 8.150 nan 0.000 0.465 288 M N -0.360 119.192 119.600 -0.079 0.000 2.082 288 M HA -0.185 4.295 4.480 -0.000 0.000 0.258 288 M C 2.255 178.494 176.300 -0.103 0.000 1.069 288 M CA 1.873 57.118 55.300 -0.091 0.000 1.102 288 M CB -0.502 32.028 32.600 -0.116 0.000 1.336 288 M HN 0.533 nan 8.290 nan 0.000 0.404 289 L N 0.195 121.351 121.223 -0.112 0.000 2.129 289 L HA -0.282 4.057 4.340 -0.000 0.000 0.212 289 L C 2.490 179.321 176.870 -0.065 0.000 1.087 289 L CA 1.572 56.346 54.840 -0.109 0.000 0.757 289 L CB -0.262 41.741 42.059 -0.092 0.000 0.896 289 L HN 0.319 nan 8.230 nan 0.000 0.434 290 Q N 0.048 119.818 119.800 -0.051 0.000 2.167 290 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 290 Q C 1.671 177.656 176.000 -0.025 0.000 0.970 290 Q CA 2.005 57.789 55.803 -0.032 0.000 0.855 290 Q CB -0.180 28.541 28.738 -0.029 0.000 0.911 290 Q HN 0.544 nan 8.270 nan 0.000 0.438 291 D N 0.183 120.565 120.400 -0.031 0.000 2.084 291 D HA -0.162 4.478 4.640 -0.000 0.000 0.194 291 D C 1.900 178.197 176.300 -0.005 0.000 0.990 291 D CA 1.425 55.415 54.000 -0.017 0.000 0.826 291 D CB -0.287 40.502 40.800 -0.019 0.000 0.971 291 D HN 0.360 nan 8.370 nan 0.000 0.453 292 I N 1.350 121.913 120.570 -0.011 0.000 2.300 292 I HA -0.319 3.851 4.170 -0.000 0.000 0.252 292 I C 2.450 178.578 176.117 0.019 0.000 1.119 292 I CA 1.059 62.367 61.300 0.014 0.000 1.384 292 I CB -0.208 37.790 38.000 -0.004 0.000 1.062 292 I HN -0.057 nan 8.210 nan 0.000 0.426 293 A N 0.461 123.284 122.820 0.005 0.000 1.841 293 A HA -0.188 4.132 4.320 -0.000 0.000 0.214 293 A C 2.379 179.972 177.584 0.015 0.000 1.195 293 A CA 2.370 54.414 52.037 0.012 0.000 0.611 293 A CB -1.121 17.881 19.000 0.003 0.000 0.835 293 A HN 0.366 nan 8.150 nan 0.000 0.443 294 T N 0.737 115.296 114.554 0.008 0.000 2.720 294 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 294 T C 1.829 176.537 174.700 0.013 0.000 1.037 294 T CA 1.306 63.411 62.100 0.009 0.000 1.144 294 T CB -0.364 68.506 68.868 0.003 0.000 0.864 294 T HN 0.297 nan 8.240 nan 0.000 0.444 295 L N 2.147 123.380 121.223 0.016 0.000 2.131 295 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 295 L C 1.844 178.728 176.870 0.023 0.000 1.092 295 L CA 2.176 57.029 54.840 0.020 0.000 0.759 295 L CB -1.240 40.836 42.059 0.028 0.000 0.903 295 L HN 0.463 nan 8.230 nan 0.000 0.435 296 T N -3.794 110.777 114.554 0.029 0.000 3.248 296 T HA 0.366 4.716 4.350 -0.000 0.000 0.271 296 T C 1.031 175.753 174.700 0.036 0.000 1.005 296 T CA 0.128 62.247 62.100 0.032 0.000 0.902 296 T CB -0.315 68.579 68.868 0.044 0.000 1.102 296 T HN 0.518 nan 8.240 nan 0.000 0.548 297 G N 0.200 109.018 108.800 0.029 0.000 2.386 297 G HA2 0.141 4.101 3.960 -0.000 0.000 0.295 297 G HA3 0.141 4.101 3.960 -0.000 0.000 0.295 297 G C 0.379 175.304 174.900 0.042 0.000 0.979 297 G CA 0.003 45.122 45.100 0.032 0.000 1.193 297 G HN 1.141 nan 8.290 nan 0.000 0.508 298 G N -1.537 107.285 108.800 0.037 0.000 3.135 298 G HA2 0.923 4.883 3.960 -0.000 0.000 0.278 298 G HA3 0.923 4.883 3.960 -0.000 0.000 0.278 298 G C -0.665 174.248 174.900 0.023 0.000 1.302 298 G CA 0.299 45.422 45.100 0.038 0.000 0.880 298 G HN 0.835 nan 8.290 nan 0.000 0.574 299 T N -0.426 114.139 114.554 0.018 0.000 2.916 299 T HA 0.521 4.871 4.350 -0.000 0.000 0.305 299 T C -0.616 174.087 174.700 0.005 0.000 1.119 299 T CA -0.365 61.741 62.100 0.009 0.000 1.008 299 T CB 1.967 70.838 68.868 0.006 0.000 1.129 299 T HN 0.422 nan 8.240 nan 0.000 0.480 300 V N 2.904 122.818 119.914 -0.000 0.000 2.583 300 V HA 0.381 4.501 4.120 -0.000 0.000 0.287 300 V C 0.025 176.117 176.094 -0.004 0.000 1.051 300 V CA -0.435 61.863 62.300 -0.004 0.000 1.010 300 V CB 0.673 32.490 31.823 -0.010 0.000 0.988 300 V HN 0.726 nan 8.190 nan 0.000 0.478 301 I N 5.050 125.618 120.570 -0.003 0.000 2.412 301 I HA 0.323 4.493 4.170 -0.000 0.000 0.279 301 I C 0.316 176.431 176.117 -0.003 0.000 1.063 301 I CA 0.063 61.362 61.300 -0.003 0.000 1.193 301 I CB 0.892 38.891 38.000 -0.001 0.000 1.370 301 I HN 0.725 nan 8.210 nan 0.000 0.479 302 S N 2.696 118.394 115.700 -0.003 0.000 2.621 302 S HA 0.453 4.923 4.470 -0.000 0.000 0.302 302 S C 0.466 175.066 174.600 -0.001 0.000 1.093 302 S CA -0.827 57.372 58.200 -0.002 0.000 1.017 302 S CB 2.147 65.345 63.200 -0.004 0.000 1.077 302 S HN 0.551 nan 8.310 nan 0.000 0.517 303 E N 0.326 120.526 120.200 0.001 0.000 2.442 303 E HA -0.016 4.334 4.350 -0.000 0.000 0.195 303 E C 1.073 177.673 176.600 0.001 0.000 1.030 303 E CA 0.313 56.715 56.400 0.002 0.000 0.869 303 E CB -0.024 29.679 29.700 0.004 0.000 0.857 303 E HN 0.745 nan 8.360 nan 0.000 0.505 304 E N 0.457 120.657 120.200 0.000 0.000 2.338 304 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 304 E C 1.417 178.016 176.600 -0.001 0.000 1.007 304 E CA 0.686 57.086 56.400 -0.000 0.000 0.849 304 E CB 0.152 29.852 29.700 -0.001 0.000 0.774 304 E HN 0.342 nan 8.360 nan 0.000 0.506 305 I N -0.922 119.647 120.570 -0.001 0.000 4.154 305 I HA 0.192 4.362 4.170 -0.000 0.000 0.334 305 I C 0.878 176.994 176.117 -0.001 0.000 1.371 305 I CA 0.027 61.326 61.300 -0.002 0.000 1.110 305 I CB 0.990 38.989 38.000 -0.003 0.000 1.085 305 I HN 0.095 nan 8.210 nan 0.000 0.398 306 G N 2.167 110.966 108.800 -0.001 0.000 2.165 306 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 306 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 306 G C -0.019 174.881 174.900 -0.001 0.000 1.035 306 G CA -0.336 44.763 45.100 -0.000 0.000 0.744 306 G HN 0.240 nan 8.290 nan 0.000 0.501 307 M N 0.287 119.886 119.600 -0.001 0.000 2.300 307 M HA 0.521 5.001 4.480 -0.000 0.000 0.348 307 M C 0.209 176.508 176.300 -0.001 0.000 1.151 307 M CA -0.233 55.066 55.300 -0.002 0.000 1.046 307 M CB 1.487 34.086 32.600 -0.002 0.000 1.647 307 M HN 0.220 nan 8.290 nan 0.000 0.451 308 E N 2.050 122.248 120.200 -0.002 0.000 2.207 308 E HA 0.329 4.679 4.350 -0.000 0.000 0.270 308 E C 0.206 176.804 176.600 -0.003 0.000 0.927 308 E CA -0.562 55.837 56.400 -0.002 0.000 0.799 308 E CB 2.229 31.928 29.700 -0.002 0.000 1.172 308 E HN 0.683 nan 8.360 nan 0.000 0.404 309 L N 1.603 122.825 121.223 -0.002 0.000 2.456 309 L HA -0.139 4.201 4.340 -0.000 0.000 0.224 309 L C 1.437 178.302 176.870 -0.008 0.000 1.148 309 L CA 0.886 55.724 54.840 -0.004 0.000 0.825 309 L CB -0.197 41.862 42.059 0.000 0.000 0.937 309 L HN 0.520 nan 8.230 nan 0.000 0.450 310 E N 0.373 120.569 120.200 -0.007 0.000 2.158 310 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 310 E C 0.648 177.241 176.600 -0.012 0.000 0.982 310 E CA 0.811 57.206 56.400 -0.009 0.000 0.823 310 E CB 0.124 29.820 29.700 -0.005 0.000 0.766 310 E HN 0.259 nan 8.360 nan 0.000 0.468 311 K N 0.718 121.112 120.400 -0.011 0.000 2.765 311 K HA 0.521 4.841 4.320 -0.000 0.000 0.246 311 K C -0.920 175.671 176.600 -0.015 0.000 1.254 311 K CA -0.233 56.046 56.287 -0.012 0.000 1.219 311 K CB 0.952 33.447 32.500 -0.008 0.000 1.747 311 K HN -0.052 nan 8.250 nan 0.000 0.372 312 A N 1.120 123.927 122.820 -0.022 0.000 2.442 312 A HA 0.350 4.670 4.320 -0.000 0.000 0.284 312 A C 0.229 177.787 177.584 -0.044 0.000 1.058 312 A CA -0.760 51.260 52.037 -0.028 0.000 0.738 312 A CB 0.727 19.712 19.000 -0.025 0.000 1.242 312 A HN 0.375 nan 8.150 nan 0.000 0.421 313 T N 0.073 114.600 114.554 -0.046 0.000 3.018 313 T HA 0.474 4.824 4.350 -0.000 0.000 0.338 313 T C 1.075 175.712 174.700 -0.105 0.000 1.208 313 T CA -0.140 61.920 62.100 -0.065 0.000 0.963 313 T CB 0.033 68.873 68.868 -0.046 0.000 1.697 313 T HN 0.382 nan 8.240 nan 0.000 0.560 314 L N -0.021 121.123 121.223 -0.132 0.000 2.567 314 L HA 0.273 4.613 4.340 -0.000 0.000 0.225 314 L C 2.753 179.566 176.870 -0.096 0.000 1.119 314 L CA 0.482 55.184 54.840 -0.229 0.000 0.871 314 L CB -0.351 41.521 42.059 -0.311 0.000 1.036 314 L HN 0.794 nan 8.230 nan 0.000 0.459 315 E N 0.527 120.706 120.200 -0.036 0.000 2.122 315 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 315 E C 0.951 177.562 176.600 0.018 0.000 0.977 315 E CA 0.732 57.138 56.400 0.011 0.000 0.820 315 E CB 0.338 30.043 29.700 0.007 0.000 0.770 315 E HN 0.392 nan 8.360 nan 0.000 0.462 316 D N 0.396 120.795 120.400 -0.002 0.000 2.363 316 D HA -0.006 4.634 4.640 -0.000 0.000 0.226 316 D C -0.198 176.112 176.300 0.017 0.000 1.020 316 D CA 0.316 54.319 54.000 0.005 0.000 0.892 316 D CB 0.235 41.031 40.800 -0.007 0.000 0.900 316 D HN 0.117 nan 8.370 nan 0.000 0.531 317 L N 0.358 121.598 121.223 0.027 0.000 2.357 317 L HA 0.391 4.731 4.340 -0.000 0.000 0.273 317 L C 1.295 178.247 176.870 0.137 0.000 1.080 317 L CA -0.500 54.382 54.840 0.070 0.000 0.803 317 L CB 1.407 43.491 42.059 0.041 0.000 1.174 317 L HN -0.176 nan 8.230 nan 0.000 0.443 318 G N 1.108 109.985 108.800 0.128 0.000 2.599 318 G HA2 0.483 4.442 3.960 -0.000 0.000 0.264 318 G HA3 0.483 4.442 3.960 -0.000 0.000 0.264 318 G C -0.995 173.993 174.900 0.147 0.000 1.200 318 G CA -0.170 44.998 45.100 0.113 0.000 0.896 318 G HN 0.601 nan 8.290 nan 0.000 0.536 319 Q N -1.018 118.826 119.800 0.073 0.000 2.403 319 Q HA 0.551 4.891 4.340 -0.000 0.000 0.267 319 Q C -1.128 174.854 176.000 -0.031 0.000 0.991 319 Q CA -0.719 55.082 55.803 -0.003 0.000 0.906 319 Q CB 1.812 30.527 28.738 -0.039 0.000 1.422 319 Q HN 0.978 nan 8.270 nan 0.000 0.400 320 A N 2.565 125.348 122.820 -0.061 0.000 2.524 320 A HA 0.599 4.919 4.320 -0.000 0.000 0.286 320 A C -0.825 176.716 177.584 -0.071 0.000 1.203 320 A CA -0.647 51.362 52.037 -0.047 0.000 0.736 320 A CB 1.595 20.582 19.000 -0.022 0.000 1.322 320 A HN 0.755 nan 8.150 nan 0.000 0.424 321 K N -0.515 119.854 120.400 -0.052 0.000 2.387 321 K HA 0.310 4.630 4.320 -0.000 0.000 0.198 321 K C -0.021 176.552 176.600 -0.044 0.000 1.022 321 K CA 0.344 56.598 56.287 -0.054 0.000 1.128 321 K CB 0.348 32.823 32.500 -0.041 0.000 0.853 321 K HN 0.513 nan 8.250 nan 0.000 0.523 322 R N -0.018 120.458 120.500 -0.040 0.000 4.584 322 R HA 0.037 4.377 4.340 -0.000 0.000 0.251 322 R C -2.181 174.101 176.300 -0.030 0.000 0.957 322 R CA -0.478 55.603 56.100 -0.032 0.000 1.195 322 R CB 0.748 31.033 30.300 -0.026 0.000 1.233 322 R HN -0.013 nan 8.270 nan 0.000 0.630 323 V N 0.231 120.129 119.914 -0.028 0.000 2.932 323 V HA 0.888 5.008 4.120 -0.000 0.000 0.307 323 V C -1.229 174.845 176.094 -0.033 0.000 1.147 323 V CA -0.722 61.557 62.300 -0.036 0.000 0.951 323 V CB 2.204 34.008 31.823 -0.031 0.000 1.031 323 V HN 0.424 nan 8.190 nan 0.000 0.426 324 V N 4.529 124.412 119.914 -0.052 0.000 2.914 324 V HA 0.701 4.821 4.120 -0.000 0.000 0.314 324 V C -0.370 175.685 176.094 -0.065 0.000 1.084 324 V CA -0.501 61.775 62.300 -0.039 0.000 0.963 324 V CB 1.979 33.781 31.823 -0.035 0.000 1.025 324 V HN 1.080 nan 8.190 nan 0.000 0.432 325 I N 0.170 120.725 120.570 -0.025 0.000 2.576 325 I HA 0.509 4.679 4.170 -0.000 0.000 0.279 325 I C -0.120 175.990 176.117 -0.012 0.000 1.114 325 I CA -0.581 60.694 61.300 -0.042 0.000 1.076 325 I CB 1.187 39.181 38.000 -0.011 0.000 1.212 325 I HN 0.434 nan 8.210 nan 0.000 0.472 326 N N 4.611 123.257 118.700 -0.090 0.000 2.255 326 N HA 0.013 4.753 4.740 -0.000 0.000 0.260 326 N C 1.042 176.289 175.510 -0.438 0.000 1.288 326 N CA -0.072 52.904 53.050 -0.123 0.000 0.894 326 N CB 0.741 39.168 38.487 -0.099 0.000 1.033 326 N HN 0.679 nan 8.380 nan 0.000 0.477 327 K N 0.366 120.496 120.400 -0.450 0.000 2.148 327 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 327 K C -0.319 175.911 176.600 -0.616 0.000 1.050 327 K CA 1.790 57.612 56.287 -0.775 0.000 0.942 327 K CB 0.005 32.357 32.500 -0.246 0.000 0.724 327 K HN 0.608 nan 8.250 nan 0.000 0.446 328 D N -1.098 119.108 120.400 -0.323 0.000 2.822 328 D HA 0.102 4.742 4.640 -0.000 0.000 0.327 328 D C -1.138 175.088 176.300 -0.125 0.000 1.577 328 D CA -0.482 53.406 54.000 -0.186 0.000 0.785 328 D CB 0.865 41.603 40.800 -0.103 0.000 1.199 328 D HN -0.158 nan 8.370 nan 0.000 0.443 329 T N -0.126 114.331 114.554 -0.162 0.000 3.293 329 T HA 0.461 4.811 4.350 -0.000 0.000 0.320 329 T C -0.430 174.141 174.700 -0.215 0.000 0.995 329 T CA -0.457 61.553 62.100 -0.150 0.000 1.041 329 T CB 1.934 70.736 68.868 -0.111 0.000 1.058 329 T HN -0.053 nan 8.240 nan 0.000 0.453 330 T N 1.755 116.092 114.554 -0.361 0.000 2.884 330 T HA 0.819 5.169 4.350 -0.000 0.000 0.277 330 T C -0.058 174.323 174.700 -0.532 0.000 0.976 330 T CA -0.570 61.225 62.100 -0.507 0.000 0.956 330 T CB 1.485 69.820 68.868 -0.888 0.000 1.113 330 T HN 0.717 nan 8.240 nan 0.000 0.554 331 T N 0.887 115.172 114.554 -0.449 0.000 4.349 331 T HA 0.317 4.667 4.350 -0.000 0.000 0.404 331 T C -1.590 173.006 174.700 -0.172 0.000 0.993 331 T CA -0.595 61.329 62.100 -0.293 0.000 1.025 331 T CB -0.181 68.576 68.868 -0.185 0.000 1.219 331 T HN 0.454 nan 8.240 nan 0.000 0.451 332 I N 5.803 126.304 120.570 -0.116 0.000 2.353 332 I HA 0.514 4.683 4.170 -0.000 0.000 0.293 332 I C 0.005 176.105 176.117 -0.029 0.000 0.992 332 I CA -0.940 60.336 61.300 -0.040 0.000 1.268 332 I CB 1.418 39.432 38.000 0.024 0.000 1.387 332 I HN 0.564 nan 8.210 nan 0.000 0.478 333 I N 5.458 126.012 120.570 -0.027 0.000 2.362 333 I HA 0.216 4.386 4.170 -0.000 0.000 0.289 333 I C -0.651 175.456 176.117 -0.018 0.000 0.994 333 I CA -0.526 60.760 61.300 -0.023 0.000 1.158 333 I CB 1.413 39.397 38.000 -0.028 0.000 1.315 333 I HN 0.610 nan 8.210 nan 0.000 0.451 334 D N 4.661 125.053 120.400 -0.013 0.000 4.867 334 D HA -0.117 4.523 4.640 -0.000 0.000 0.238 334 D C -0.213 176.080 176.300 -0.012 0.000 1.114 334 D CA 1.192 55.185 54.000 -0.012 0.000 1.283 334 D CB 0.181 40.971 40.800 -0.016 0.000 0.739 334 D HN 0.813 nan 8.370 nan 0.000 0.371 335 G N 1.630 110.428 108.800 -0.004 0.000 2.454 335 G HA2 0.504 4.464 3.960 -0.000 0.000 0.329 335 G HA3 0.504 4.464 3.960 -0.000 0.000 0.329 335 G C 1.177 176.076 174.900 -0.002 0.000 1.177 335 G CA -0.413 44.686 45.100 -0.001 0.000 0.951 335 G HN 0.456 nan 8.290 nan 0.000 0.485 336 V N 1.182 121.095 119.914 -0.001 0.000 2.720 336 V HA -0.006 4.114 4.120 -0.000 0.000 0.256 336 V C 2.174 178.272 176.094 0.008 0.000 1.082 336 V CA 1.114 63.415 62.300 0.002 0.000 1.101 336 V CB -1.267 30.560 31.823 0.007 0.000 0.693 336 V HN 0.848 nan 8.190 nan 0.000 0.479 337 G N 1.221 110.028 108.800 0.011 0.000 2.187 337 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.239 337 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.239 337 G C -0.067 174.837 174.900 0.007 0.000 1.200 337 G CA -0.082 45.025 45.100 0.011 0.000 0.888 337 G HN 0.581 nan 8.290 nan 0.000 0.482 338 E N 1.846 122.050 120.200 0.007 0.000 2.331 338 E HA 0.066 4.416 4.350 -0.000 0.000 0.272 338 E C 0.675 177.277 176.600 0.004 0.000 1.036 338 E CA -0.232 56.171 56.400 0.005 0.000 0.864 338 E CB 1.332 31.035 29.700 0.006 0.000 1.035 338 E HN 0.655 nan 8.360 nan 0.000 0.408 339 E N 1.367 121.568 120.200 0.002 0.000 2.527 339 E HA -0.163 4.187 4.350 -0.000 0.000 0.204 339 E C 0.960 177.561 176.600 0.001 0.000 1.132 339 E CA 0.217 56.618 56.400 0.001 0.000 0.905 339 E CB -0.002 29.698 29.700 0.000 0.000 0.875 339 E HN 0.499 nan 8.360 nan 0.000 0.548 340 A N 1.190 124.011 122.820 0.002 0.000 1.884 340 A HA 0.235 4.555 4.320 -0.000 0.000 0.212 340 A C 2.290 179.874 177.584 0.001 0.000 1.265 340 A CA 0.735 52.773 52.037 0.001 0.000 0.626 340 A CB -0.409 18.592 19.000 0.002 0.000 0.943 340 A HN 0.279 nan 8.150 nan 0.000 0.466 341 A N -0.489 122.332 122.820 0.002 0.000 2.121 341 A HA 0.112 4.432 4.320 -0.000 0.000 0.218 341 A C 1.949 179.534 177.584 0.001 0.000 1.154 341 A CA 1.159 53.197 52.037 0.002 0.000 0.679 341 A CB -0.558 18.444 19.000 0.003 0.000 0.795 341 A HN 0.493 nan 8.150 nan 0.000 0.458 342 I N -1.651 118.920 120.570 0.002 0.000 2.429 342 I HA -0.133 4.037 4.170 -0.000 0.000 0.247 342 I C 2.535 178.652 176.117 -0.001 0.000 1.099 342 I CA 1.160 62.461 61.300 0.001 0.000 1.422 342 I CB -0.157 37.844 38.000 0.003 0.000 1.112 342 I HN 0.295 nan 8.210 nan 0.000 0.430 343 Q N 1.254 121.054 119.800 -0.001 0.000 2.364 343 Q HA -0.067 4.273 4.340 -0.000 0.000 0.207 343 Q C 1.852 177.851 176.000 -0.003 0.000 0.970 343 Q CA 1.534 57.336 55.803 -0.002 0.000 0.888 343 Q CB -0.278 28.459 28.738 -0.002 0.000 0.951 343 Q HN 0.471 nan 8.270 nan 0.000 0.469 344 G N -0.582 108.217 108.800 -0.003 0.000 2.459 344 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.213 344 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.213 344 G C 1.518 176.415 174.900 -0.005 0.000 1.155 344 G CA 0.384 45.482 45.100 -0.003 0.000 0.811 344 G HN 0.277 nan 8.290 nan 0.000 0.534 345 R N 0.531 121.028 120.500 -0.005 0.000 2.115 345 R HA 0.035 4.375 4.340 -0.000 0.000 0.230 345 R C 2.366 178.661 176.300 -0.009 0.000 1.111 345 R CA 1.229 57.325 56.100 -0.007 0.000 0.976 345 R CB -0.707 29.590 30.300 -0.006 0.000 0.870 345 R HN 0.205 nan 8.270 nan 0.000 0.445 346 V N 0.579 120.488 119.914 -0.007 0.000 2.358 346 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 346 V C 2.323 178.412 176.094 -0.009 0.000 1.047 346 V CA 1.777 64.072 62.300 -0.008 0.000 1.035 346 V CB -0.856 30.963 31.823 -0.006 0.000 0.658 346 V HN 0.509 nan 8.190 nan 0.000 0.452 347 A N -0.722 122.094 122.820 -0.008 0.000 1.933 347 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 347 A C 2.191 179.769 177.584 -0.009 0.000 1.175 347 A CA 1.791 53.823 52.037 -0.007 0.000 0.628 347 A CB -0.420 18.576 19.000 -0.006 0.000 0.814 347 A HN 0.623 nan 8.150 nan 0.000 0.444 348 Q N -0.636 119.158 119.800 -0.009 0.000 2.119 348 Q HA -0.042 4.298 4.340 -0.000 0.000 0.201 348 Q C 1.916 177.908 176.000 -0.014 0.000 0.972 348 Q CA 1.443 57.240 55.803 -0.011 0.000 0.847 348 Q CB -0.235 28.496 28.738 -0.011 0.000 0.903 348 Q HN 0.755 nan 8.270 nan 0.000 0.433 349 I N -0.155 120.406 120.570 -0.015 0.000 2.617 349 I HA -0.152 4.018 4.170 -0.000 0.000 0.256 349 I C 2.370 178.476 176.117 -0.018 0.000 1.167 349 I CA 0.502 61.790 61.300 -0.019 0.000 1.469 349 I CB -0.106 37.881 38.000 -0.022 0.000 1.098 349 I HN 0.070 nan 8.210 nan 0.000 0.436 350 R N 0.903 121.394 120.500 -0.015 0.000 2.152 350 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 350 R C 2.202 178.494 176.300 -0.012 0.000 1.117 350 R CA 1.316 57.408 56.100 -0.013 0.000 0.981 350 R CB 0.021 30.315 30.300 -0.010 0.000 0.870 350 R HN 0.404 nan 8.270 nan 0.000 0.451 351 Q N -0.861 118.932 119.800 -0.012 0.000 2.250 351 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 351 Q C 1.748 177.741 176.000 -0.012 0.000 0.941 351 Q CA 0.503 56.300 55.803 -0.011 0.000 0.872 351 Q CB 0.398 29.130 28.738 -0.009 0.000 0.965 351 Q HN 0.373 nan 8.270 nan 0.000 0.480 352 Q N 0.395 120.186 119.800 -0.015 0.000 2.248 352 Q HA -0.168 4.172 4.340 -0.000 0.000 0.208 352 Q C 1.913 177.902 176.000 -0.018 0.000 0.984 352 Q CA 1.118 56.910 55.803 -0.018 0.000 0.875 352 Q CB -0.155 28.569 28.738 -0.024 0.000 0.910 352 Q HN 0.507 nan 8.270 nan 0.000 0.433 353 I N 0.723 121.282 120.570 -0.018 0.000 2.617 353 I HA -0.175 3.995 4.170 -0.000 0.000 0.256 353 I C 1.997 178.107 176.117 -0.011 0.000 1.167 353 I CA 0.620 61.909 61.300 -0.017 0.000 1.469 353 I CB -0.189 37.800 38.000 -0.018 0.000 1.098 353 I HN 0.074 nan 8.210 nan 0.000 0.436 354 E N 1.476 121.670 120.200 -0.010 0.000 2.072 354 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 354 E C 1.161 177.758 176.600 -0.005 0.000 0.982 354 E CA 1.013 57.409 56.400 -0.007 0.000 0.803 354 E CB -0.293 29.403 29.700 -0.006 0.000 0.755 354 E HN 0.580 nan 8.360 nan 0.000 0.453 355 E N 1.152 121.348 120.200 -0.006 0.000 2.301 355 E HA 0.254 4.604 4.350 -0.000 0.000 0.195 355 E C -0.249 176.349 176.600 -0.003 0.000 1.171 355 E CA -0.309 56.088 56.400 -0.004 0.000 1.142 355 E CB 0.229 29.926 29.700 -0.005 0.000 1.218 355 E HN 0.077 nan 8.360 nan 0.000 0.448 356 A N 1.229 124.047 122.820 -0.003 0.000 2.409 356 A HA 0.152 4.472 4.320 -0.000 0.000 0.267 356 A C 1.255 178.842 177.584 0.005 0.000 1.127 356 A CA -0.213 51.824 52.037 -0.001 0.000 0.795 356 A CB 0.156 19.154 19.000 -0.003 0.000 1.061 356 A HN 0.282 nan 8.150 nan 0.000 0.502 357 T N -0.903 113.656 114.554 0.010 0.000 3.001 357 T HA 0.361 4.711 4.350 -0.000 0.000 0.251 357 T C 0.655 175.368 174.700 0.021 0.000 1.040 357 T CA 0.594 62.702 62.100 0.013 0.000 0.985 357 T CB -0.046 68.829 68.868 0.012 0.000 1.011 357 T HN 0.777 nan 8.240 nan 0.000 0.509 358 S N -0.766 114.952 115.700 0.029 0.000 2.618 358 S HA 0.415 4.885 4.470 -0.000 0.000 0.277 358 S C -0.397 174.235 174.600 0.053 0.000 1.138 358 S CA -0.580 57.647 58.200 0.046 0.000 0.844 358 S CB 1.697 64.938 63.200 0.067 0.000 1.127 358 S HN 0.061 nan 8.310 nan 0.000 0.474 359 D N 0.589 121.030 120.400 0.068 0.000 2.183 359 D HA -0.024 4.616 4.640 -0.000 0.000 0.203 359 D C 1.199 177.557 176.300 0.097 0.000 0.969 359 D CA 1.113 55.153 54.000 0.067 0.000 0.842 359 D CB -0.121 40.718 40.800 0.066 0.000 0.957 359 D HN 0.578 nan 8.370 nan 0.000 0.484 360 Y N 2.155 122.452 120.300 -0.004 0.000 2.092 360 Y HA -0.189 4.361 4.550 -0.000 0.000 0.282 360 Y C 1.678 177.570 175.900 -0.013 0.000 1.126 360 Y CA 1.736 59.833 58.100 -0.006 0.000 1.111 360 Y CB -0.467 37.989 38.460 -0.006 0.000 0.987 360 Y HN -0.168 nan 8.280 nan 0.000 0.489 361 D N -0.429 120.019 120.400 0.080 0.000 2.220 361 D HA -0.241 4.399 4.640 -0.000 0.000 0.198 361 D C 2.228 178.482 176.300 -0.077 0.000 1.001 361 D CA 1.707 55.694 54.000 -0.022 0.000 0.875 361 D CB -0.199 40.617 40.800 0.027 0.000 0.921 361 D HN 0.291 nan 8.370 nan 0.000 0.454 362 R N 0.394 120.864 120.500 -0.049 0.000 2.064 362 R HA -0.121 4.219 4.340 -0.000 0.000 0.228 362 R C 1.964 178.213 176.300 -0.086 0.000 1.144 362 R CA 1.106 57.176 56.100 -0.050 0.000 0.932 362 R CB 0.072 30.360 30.300 -0.020 0.000 0.833 362 R HN 0.062 nan 8.270 nan 0.000 0.429 363 E N 1.165 121.302 120.200 -0.105 0.000 2.045 363 E HA -0.251 4.099 4.350 -0.000 0.000 0.212 363 E C 1.666 178.169 176.600 -0.162 0.000 1.039 363 E CA 1.415 57.739 56.400 -0.125 0.000 0.860 363 E CB -0.334 29.278 29.700 -0.146 0.000 0.776 363 E HN 0.214 nan 8.360 nan 0.000 0.467 364 K N 0.606 120.842 120.400 -0.273 0.000 2.589 364 K HA -0.061 4.259 4.320 -0.000 0.000 0.195 364 K C 2.038 178.548 176.600 -0.150 0.000 1.040 364 K CA 0.480 56.621 56.287 -0.243 0.000 0.950 364 K CB -0.256 32.026 32.500 -0.363 0.000 0.781 364 K HN 0.268 nan 8.250 nan 0.000 0.486 365 L N -0.640 120.513 121.223 -0.118 0.000 2.425 365 L HA 0.024 4.364 4.340 -0.000 0.000 0.215 365 L C 2.048 178.883 176.870 -0.057 0.000 1.065 365 L CA 0.254 55.047 54.840 -0.078 0.000 0.842 365 L CB -0.071 41.949 42.059 -0.065 0.000 1.033 365 L HN 0.097 nan 8.230 nan 0.000 0.474 366 Q N 0.094 119.860 119.800 -0.057 0.000 2.297 366 Q HA -0.141 4.198 4.340 -0.000 0.000 0.204 366 Q C 1.675 177.653 176.000 -0.036 0.000 0.962 366 Q CA 0.970 56.749 55.803 -0.040 0.000 0.879 366 Q CB 0.219 28.936 28.738 -0.035 0.000 0.947 366 Q HN 0.500 nan 8.270 nan 0.000 0.462 367 E N 0.531 120.702 120.200 -0.047 0.000 2.051 367 E HA -0.073 4.277 4.350 -0.000 0.000 0.189 367 E C 2.021 178.605 176.600 -0.027 0.000 0.979 367 E CA 0.287 56.666 56.400 -0.036 0.000 0.803 367 E CB 0.109 29.781 29.700 -0.046 0.000 0.761 367 E HN 0.178 nan 8.360 nan 0.000 0.451 368 R N 0.717 121.193 120.500 -0.039 0.000 2.105 368 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 368 R C 2.571 178.860 176.300 -0.019 0.000 1.135 368 R CA 1.649 57.730 56.100 -0.030 0.000 0.967 368 R CB -0.396 29.878 30.300 -0.044 0.000 0.861 368 R HN 0.206 nan 8.270 nan 0.000 0.442 369 V N -2.411 117.490 119.914 -0.021 0.000 2.283 369 V HA -0.034 4.086 4.120 -0.000 0.000 0.243 369 V C 2.356 178.445 176.094 -0.009 0.000 1.039 369 V CA 1.470 63.761 62.300 -0.015 0.000 1.016 369 V CB -1.262 30.550 31.823 -0.017 0.000 0.650 369 V HN 0.216 nan 8.190 nan 0.000 0.449 370 A N 1.047 123.861 122.820 -0.010 0.000 1.869 370 A HA -0.325 3.995 4.320 -0.000 0.000 0.218 370 A C 2.321 179.904 177.584 -0.001 0.000 1.203 370 A CA 2.942 54.975 52.037 -0.007 0.000 0.638 370 A CB -0.936 18.060 19.000 -0.008 0.000 0.831 370 A HN 0.629 nan 8.150 nan 0.000 0.450 371 K N -1.379 119.024 120.400 0.005 0.000 2.218 371 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 371 K C 1.718 178.329 176.600 0.017 0.000 1.046 371 K CA 1.420 57.717 56.287 0.016 0.000 0.933 371 K CB -0.242 32.279 32.500 0.034 0.000 0.728 371 K HN 0.405 nan 8.250 nan 0.000 0.454 372 L N -0.769 120.460 121.223 0.011 0.000 2.477 372 L HA 0.118 4.458 4.340 -0.000 0.000 0.220 372 L C 1.701 178.574 176.870 0.004 0.000 1.106 372 L CA 0.771 55.617 54.840 0.010 0.000 0.851 372 L CB 0.251 42.313 42.059 0.005 0.000 0.994 372 L HN 0.028 nan 8.230 nan 0.000 0.462 373 A N -1.307 121.513 122.820 0.000 0.000 1.963 373 A HA 0.343 4.663 4.320 -0.000 0.000 0.207 373 A C 1.821 179.404 177.584 -0.002 0.000 1.243 373 A CA 0.520 52.556 52.037 -0.002 0.000 0.728 373 A CB -0.692 18.305 19.000 -0.004 0.000 0.895 373 A HN 0.318 nan 8.150 nan 0.000 0.467 374 G N 0.249 109.048 108.800 -0.003 0.000 3.474 374 G HA2 0.418 4.378 3.960 -0.000 0.000 0.269 374 G HA3 0.418 4.378 3.960 -0.000 0.000 0.269 374 G C 1.049 175.946 174.900 -0.005 0.000 1.339 374 G CA 0.622 45.720 45.100 -0.005 0.000 1.258 374 G HN 0.797 nan 8.290 nan 0.000 0.560 375 G N 0.180 108.978 108.800 -0.003 0.000 2.998 375 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.855 375 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.855 375 G C 0.140 175.035 174.900 -0.008 0.000 1.032 375 G CA 1.078 46.176 45.100 -0.003 0.000 0.804 375 G HN 0.965 nan 8.290 nan 0.000 0.970 376 V N -0.635 119.272 119.914 -0.012 0.000 2.971 376 V HA 0.705 4.825 4.120 -0.000 0.000 0.309 376 V C 0.359 176.442 176.094 -0.018 0.000 1.130 376 V CA -0.381 61.908 62.300 -0.018 0.000 0.964 376 V CB 1.693 33.503 31.823 -0.022 0.000 1.029 376 V HN 1.444 nan 8.190 nan 0.000 0.427 377 A N 2.619 125.426 122.820 -0.021 0.000 2.309 377 A HA 0.806 5.126 4.320 -0.000 0.000 0.298 377 A C -0.708 176.864 177.584 -0.020 0.000 1.165 377 A CA -0.452 51.574 52.037 -0.019 0.000 0.821 377 A CB 1.116 20.103 19.000 -0.021 0.000 1.102 377 A HN 0.782 nan 8.150 nan 0.000 0.500 378 V N 4.556 124.460 119.914 -0.017 0.000 2.407 378 V HA 0.324 4.444 4.120 -0.000 0.000 0.291 378 V C -0.518 175.569 176.094 -0.012 0.000 1.018 378 V CA -0.134 62.157 62.300 -0.015 0.000 0.842 378 V CB 1.273 33.087 31.823 -0.014 0.000 0.996 378 V HN 0.749 nan 8.190 nan 0.000 0.426 379 I N 5.635 126.198 120.570 -0.012 0.000 2.328 379 I HA 0.411 4.581 4.170 -0.000 0.000 0.287 379 I C 0.093 176.207 176.117 -0.006 0.000 1.012 379 I CA -0.549 60.746 61.300 -0.008 0.000 1.195 379 I CB 1.208 39.203 38.000 -0.008 0.000 1.350 379 I HN 0.441 nan 8.210 nan 0.000 0.464 380 K N 6.173 126.571 120.400 -0.005 0.000 2.266 380 K HA 0.374 4.694 4.320 -0.000 0.000 0.274 380 K C -0.304 176.295 176.600 -0.001 0.000 1.090 380 K CA -0.581 55.704 56.287 -0.003 0.000 0.925 380 K CB 1.296 33.794 32.500 -0.004 0.000 1.225 380 K HN 0.342 nan 8.250 nan 0.000 0.458 381 V N 2.453 122.367 119.914 0.000 0.000 3.083 381 V HA -0.126 3.994 4.120 -0.000 0.000 0.303 381 V C 1.661 177.756 176.094 0.001 0.000 1.151 381 V CA 0.470 62.771 62.300 0.002 0.000 1.275 381 V CB 0.149 31.975 31.823 0.004 0.000 0.950 381 V HN 0.954 nan 8.190 nan 0.000 0.506 382 G N 1.306 110.107 108.800 0.001 0.000 2.393 382 G HA2 0.505 4.465 3.960 -0.000 0.000 0.268 382 G HA3 0.505 4.465 3.960 -0.000 0.000 0.268 382 G C 0.129 175.030 174.900 0.002 0.000 1.472 382 G CA 0.484 45.585 45.100 0.001 0.000 1.059 382 G HN 1.377 nan 8.290 nan 0.000 0.555 383 A N -3.540 119.281 122.820 0.002 0.000 5.519 383 A HA 0.838 5.158 4.320 -0.000 0.000 0.158 383 A C 0.076 177.661 177.584 0.002 0.000 0.860 383 A CA 0.771 52.809 52.037 0.002 0.000 1.134 383 A CB -0.310 18.691 19.000 0.001 0.000 2.248 383 A HN 2.573 nan 8.150 nan 0.000 1.056 384 A N -0.613 122.208 122.820 0.002 0.000 3.033 384 A HA 0.576 4.895 4.320 -0.000 0.000 0.262 384 A C 1.018 178.603 177.584 0.002 0.000 1.301 384 A CA 1.164 53.202 52.037 0.001 0.000 0.727 384 A CB -2.616 16.385 19.000 0.001 0.000 1.094 384 A HN 3.569 nan 8.150 nan 0.000 0.374 385 T N -2.202 112.353 114.554 0.002 0.000 0.541 385 T HA -0.086 4.264 4.350 -0.000 0.000 0.774 385 T C 0.378 175.079 174.700 0.003 0.000 0.992 385 T CA 1.495 63.596 62.100 0.002 0.000 4.077 385 T CB -1.028 67.841 68.868 0.002 0.000 2.303 385 T HN 1.891 nan 8.240 nan 0.000 0.398 386 E N 0.923 121.125 120.200 0.003 0.000 2.085 386 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 386 E C 2.193 178.795 176.600 0.004 0.000 0.994 386 E CA 2.048 58.450 56.400 0.004 0.000 0.801 386 E CB -0.182 29.520 29.700 0.004 0.000 0.743 386 E HN 0.643 nan 8.360 nan 0.000 0.453 387 V N 1.390 121.307 119.914 0.004 0.000 2.332 387 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 387 V C 2.071 178.168 176.094 0.004 0.000 1.055 387 V CA 2.271 64.574 62.300 0.004 0.000 1.038 387 V CB -0.534 31.291 31.823 0.004 0.000 0.651 387 V HN 0.312 nan 8.190 nan 0.000 0.450 388 E N -0.815 119.387 120.200 0.004 0.000 2.158 388 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 388 E C 2.193 178.796 176.600 0.004 0.000 0.982 388 E CA 0.873 57.275 56.400 0.004 0.000 0.823 388 E CB -0.197 29.505 29.700 0.003 0.000 0.766 388 E HN 0.420 nan 8.360 nan 0.000 0.468 389 M N 1.259 120.861 119.600 0.004 0.000 2.086 389 M HA -0.143 4.337 4.480 -0.000 0.000 0.261 389 M C 1.573 177.876 176.300 0.006 0.000 1.067 389 M CA 1.513 56.816 55.300 0.004 0.000 1.116 389 M CB -0.144 32.458 32.600 0.004 0.000 1.348 389 M HN -0.147 nan 8.290 nan 0.000 0.407 390 K N 0.132 120.536 120.400 0.006 0.000 2.439 390 K HA -0.112 4.208 4.320 -0.000 0.000 0.197 390 K C 1.736 178.341 176.600 0.008 0.000 1.041 390 K CA 0.769 57.061 56.287 0.008 0.000 0.970 390 K CB -0.204 32.300 32.500 0.008 0.000 0.773 390 K HN 0.595 nan 8.250 nan 0.000 0.479 391 E N 0.944 121.149 120.200 0.007 0.000 2.166 391 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 391 E C 1.873 178.477 176.600 0.008 0.000 0.967 391 E CA 0.441 56.845 56.400 0.007 0.000 0.840 391 E CB 0.287 29.990 29.700 0.006 0.000 0.795 391 E HN 0.081 nan 8.360 nan 0.000 0.470 392 K N 1.167 121.572 120.400 0.007 0.000 2.062 392 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 392 K C 2.236 178.842 176.600 0.010 0.000 1.051 392 K CA 1.146 57.437 56.287 0.008 0.000 0.941 392 K CB 0.019 32.522 32.500 0.006 0.000 0.719 392 K HN -0.090 nan 8.250 nan 0.000 0.440 393 K N 0.370 120.775 120.400 0.010 0.000 2.059 393 K HA -0.227 4.093 4.320 -0.000 0.000 0.212 393 K C 1.901 178.511 176.600 0.017 0.000 1.050 393 K CA 1.626 57.921 56.287 0.012 0.000 0.927 393 K CB -0.222 32.285 32.500 0.011 0.000 0.714 393 K HN 0.215 nan 8.250 nan 0.000 0.447 394 A N 1.437 124.267 122.820 0.016 0.000 1.845 394 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 394 A C 2.055 179.651 177.584 0.020 0.000 1.195 394 A CA 1.657 53.704 52.037 0.018 0.000 0.616 394 A CB -0.591 18.416 19.000 0.012 0.000 0.832 394 A HN 0.381 nan 8.150 nan 0.000 0.443 395 R N -0.628 119.882 120.500 0.016 0.000 2.211 395 R HA -0.103 4.237 4.340 -0.000 0.000 0.240 395 R C 1.902 178.216 176.300 0.022 0.000 1.144 395 R CA 1.284 57.394 56.100 0.016 0.000 0.992 395 R CB -0.567 29.740 30.300 0.012 0.000 0.869 395 R HN 0.426 nan 8.270 nan 0.000 0.462 396 V N 0.975 120.903 119.914 0.023 0.000 2.283 396 V HA -0.198 3.922 4.120 -0.000 0.000 0.243 396 V C 1.981 178.099 176.094 0.040 0.000 1.039 396 V CA 1.688 64.003 62.300 0.024 0.000 1.016 396 V CB -0.330 31.503 31.823 0.017 0.000 0.650 396 V HN 0.311 nan 8.190 nan 0.000 0.449 397 E N 0.491 120.722 120.200 0.051 0.000 2.049 397 E HA -0.271 4.079 4.350 -0.000 0.000 0.198 397 E C 2.307 178.994 176.600 0.144 0.000 1.007 397 E CA 1.579 58.037 56.400 0.097 0.000 0.809 397 E CB -0.436 29.322 29.700 0.097 0.000 0.749 397 E HN 0.579 nan 8.360 nan 0.000 0.450 398 A N 1.389 124.261 122.820 0.086 0.000 1.908 398 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 398 A C 2.363 179.999 177.584 0.088 0.000 1.181 398 A CA 2.039 54.116 52.037 0.067 0.000 0.627 398 A CB -0.807 18.207 19.000 0.023 0.000 0.818 398 A HN 0.320 nan 8.150 nan 0.000 0.445 399 A N -0.325 122.533 122.820 0.063 0.000 1.832 399 A HA 0.016 4.336 4.320 -0.000 0.000 0.214 399 A C 2.130 179.748 177.584 0.057 0.000 1.200 399 A CA 1.742 53.809 52.037 0.049 0.000 0.610 399 A CB -0.921 18.097 19.000 0.030 0.000 0.842 399 A HN 0.966 nan 8.150 nan 0.000 0.444 400 L N -0.272 120.978 121.223 0.045 0.000 2.010 400 L HA -0.293 4.047 4.340 -0.000 0.000 0.219 400 L C 2.261 179.140 176.870 0.014 0.000 1.077 400 L CA 2.806 57.654 54.840 0.013 0.000 0.773 400 L CB -1.221 40.830 42.059 -0.013 0.000 0.892 400 L HN 0.574 nan 8.230 nan 0.000 0.436 401 H N -0.144 118.925 119.070 -0.001 0.000 2.355 401 H HA -0.205 4.351 4.556 -0.000 0.000 0.293 401 H C 2.082 177.412 175.328 0.002 0.000 1.060 401 H CA 2.248 58.296 56.048 -0.000 0.000 1.167 401 H CB -0.637 29.125 29.762 0.001 0.000 1.376 401 H HN 0.529 nan 8.280 nan 0.000 0.549 402 A N 0.050 122.973 122.820 0.171 0.000 1.997 402 A HA -0.235 4.085 4.320 -0.000 0.000 0.221 402 A C 2.682 180.300 177.584 0.057 0.000 1.172 402 A CA 2.413 54.505 52.037 0.092 0.000 0.645 402 A CB -1.065 17.972 19.000 0.061 0.000 0.813 402 A HN 0.531 nan 8.150 nan 0.000 0.454 403 T N -0.897 113.683 114.554 0.044 0.000 2.643 403 T HA -0.152 4.198 4.350 -0.000 0.000 0.264 403 T C 2.166 176.874 174.700 0.013 0.000 1.045 403 T CA 1.362 63.475 62.100 0.021 0.000 1.155 403 T CB -0.275 68.600 68.868 0.011 0.000 0.863 403 T HN 0.367 nan 8.240 nan 0.000 0.420 404 R N 1.264 121.763 120.500 -0.001 0.000 2.134 404 R HA -0.110 4.230 4.340 -0.000 0.000 0.248 404 R C 2.410 178.714 176.300 0.005 0.000 1.143 404 R CA 1.960 58.052 56.100 -0.013 0.000 0.957 404 R CB -1.216 29.055 30.300 -0.049 0.000 0.867 404 R HN 0.455 nan 8.270 nan 0.000 0.441 405 A N -0.509 122.326 122.820 0.026 0.000 2.216 405 A HA 0.075 4.395 4.320 -0.000 0.000 0.214 405 A C 2.065 179.663 177.584 0.024 0.000 1.160 405 A CA 1.488 53.545 52.037 0.032 0.000 0.725 405 A CB -0.250 18.783 19.000 0.054 0.000 0.784 405 A HN 0.423 nan 8.150 nan 0.000 0.472 406 A N -0.899 121.933 122.820 0.019 0.000 1.924 406 A HA 0.225 4.545 4.320 -0.000 0.000 0.211 406 A C 2.025 179.615 177.584 0.010 0.000 1.198 406 A CA 1.011 53.058 52.037 0.016 0.000 0.657 406 A CB -0.597 18.412 19.000 0.016 0.000 0.852 406 A HN 0.281 nan 8.150 nan 0.000 0.454 407 V N 0.697 120.615 119.914 0.007 0.000 2.324 407 V HA -0.325 3.795 4.120 -0.000 0.000 0.250 407 V C 2.402 178.498 176.094 0.004 0.000 1.060 407 V CA 2.510 64.812 62.300 0.004 0.000 1.042 407 V CB -0.880 30.942 31.823 -0.001 0.000 0.650 407 V HN 0.617 nan 8.190 nan 0.000 0.450 408 E N -0.068 120.135 120.200 0.005 0.000 2.006 408 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 408 E C 1.571 178.174 176.600 0.006 0.000 0.993 408 E CA 1.424 57.827 56.400 0.005 0.000 0.808 408 E CB -0.049 29.655 29.700 0.008 0.000 0.764 408 E HN 0.662 nan 8.360 nan 0.000 0.449 409 E N -0.265 119.939 120.200 0.007 0.000 2.685 409 E HA 0.253 4.603 4.350 -0.000 0.000 0.208 409 E C 0.107 176.711 176.600 0.007 0.000 0.996 409 E CA 0.003 56.406 56.400 0.006 0.000 1.054 409 E CB 1.256 30.958 29.700 0.004 0.000 1.075 409 E HN 0.319 nan 8.360 nan 0.000 0.460 410 G N 1.033 109.838 108.800 0.008 0.000 2.642 410 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.231 410 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.231 410 G C -0.276 174.631 174.900 0.012 0.000 1.338 410 G CA -0.355 44.751 45.100 0.009 0.000 0.883 410 G HN 0.627 nan 8.290 nan 0.000 0.570 411 V N -3.114 116.808 119.914 0.013 0.000 3.147 411 V HA 0.976 5.096 4.120 -0.000 0.000 0.306 411 V C -0.158 175.945 176.094 0.016 0.000 1.209 411 V CA 0.359 62.668 62.300 0.015 0.000 1.023 411 V CB 1.483 33.315 31.823 0.015 0.000 1.059 411 V HN 2.637 nan 8.190 nan 0.000 0.435 412 V N 2.167 122.091 119.914 0.017 0.000 3.120 412 V HA 0.893 5.013 4.120 -0.000 0.000 0.303 412 V C 0.496 176.603 176.094 0.022 0.000 1.238 412 V CA -0.244 62.068 62.300 0.019 0.000 1.008 412 V CB 1.855 33.689 31.823 0.018 0.000 1.064 412 V HN 2.682 nan 8.190 nan 0.000 0.434 413 A N 3.737 126.573 122.820 0.027 0.000 2.500 413 A HA 0.385 4.705 4.320 -0.000 0.000 0.286 413 A C 1.084 178.683 177.584 0.025 0.000 1.170 413 A CA 1.126 53.181 52.037 0.030 0.000 0.951 413 A CB -1.367 17.656 19.000 0.039 0.000 0.965 413 A HN 2.101 nan 8.150 nan 0.000 0.551 414 G N 1.422 110.235 108.800 0.022 0.000 2.468 414 G HA2 0.509 4.469 3.960 -0.000 0.000 0.264 414 G HA3 0.509 4.469 3.960 -0.000 0.000 0.264 414 G C 1.269 176.181 174.900 0.020 0.000 1.460 414 G CA -0.052 45.059 45.100 0.019 0.000 1.060 414 G HN 2.222 nan 8.290 nan 0.000 0.543 415 G N -2.198 106.613 108.800 0.018 0.000 2.249 415 G HA2 0.223 4.183 3.960 -0.000 0.000 0.273 415 G HA3 0.223 4.183 3.960 -0.000 0.000 0.273 415 G C 1.512 176.423 174.900 0.018 0.000 1.036 415 G CA 1.178 46.290 45.100 0.021 0.000 0.824 415 G HN 2.482 nan 8.290 nan 0.000 0.504 416 G N -2.789 106.018 108.800 0.012 0.000 2.284 416 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.247 416 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.247 416 G C 1.966 176.871 174.900 0.009 0.000 1.012 416 G CA 1.862 46.965 45.100 0.006 0.000 0.618 416 G HN 2.056 nan 8.290 nan 0.000 0.521 417 V N -0.840 119.084 119.914 0.017 0.000 2.270 417 V HA 0.262 4.382 4.120 -0.000 0.000 0.245 417 V C 3.107 179.215 176.094 0.023 0.000 1.043 417 V CA 2.410 64.722 62.300 0.022 0.000 1.014 417 V CB -1.789 30.051 31.823 0.029 0.000 0.645 417 V HN 1.754 nan 8.190 nan 0.000 0.447 418 A N 1.559 124.393 122.820 0.023 0.000 1.899 418 A HA -0.306 4.014 4.320 -0.000 0.000 0.230 418 A C 2.277 179.872 177.584 0.018 0.000 1.593 418 A CA 3.242 55.292 52.037 0.021 0.000 0.728 418 A CB -1.158 17.852 19.000 0.017 0.000 0.848 418 A HN 0.635 nan 8.150 nan 0.000 0.490 419 L N -0.969 120.262 121.223 0.014 0.000 1.988 419 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 419 L C 2.624 179.502 176.870 0.013 0.000 1.071 419 L CA 1.729 56.576 54.840 0.011 0.000 0.744 419 L CB -0.806 41.258 42.059 0.008 0.000 0.893 419 L HN 0.452 nan 8.230 nan 0.000 0.433 420 I N -0.317 120.261 120.570 0.013 0.000 2.315 420 I HA -0.310 3.860 4.170 -0.000 0.000 0.251 420 I C 2.808 178.939 176.117 0.022 0.000 1.125 420 I CA 0.944 62.253 61.300 0.015 0.000 1.392 420 I CB -0.464 37.545 38.000 0.014 0.000 1.065 420 I HN 0.288 nan 8.210 nan 0.000 0.424 421 R N 1.493 122.010 120.500 0.028 0.000 2.082 421 R HA -0.110 4.230 4.340 -0.000 0.000 0.228 421 R C 2.199 178.514 176.300 0.026 0.000 1.140 421 R CA 1.871 57.992 56.100 0.034 0.000 0.920 421 R CB -1.119 29.205 30.300 0.040 0.000 0.828 421 R HN 0.098 nan 8.270 nan 0.000 0.430 422 V N 1.274 121.200 119.914 0.020 0.000 2.218 422 V HA -0.344 3.776 4.120 -0.000 0.000 0.251 422 V C 2.277 178.378 176.094 0.013 0.000 1.057 422 V CA 2.597 64.905 62.300 0.014 0.000 1.022 422 V CB -1.247 30.582 31.823 0.010 0.000 0.645 422 V HN 0.626 nan 8.190 nan 0.000 0.451 423 A N 0.214 123.041 122.820 0.011 0.000 2.245 423 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 423 A C 2.326 179.917 177.584 0.011 0.000 1.171 423 A CA 2.058 54.101 52.037 0.009 0.000 0.688 423 A CB -0.613 18.391 19.000 0.008 0.000 0.781 423 A HN 0.797 nan 8.150 nan 0.000 0.479 424 S N -1.098 114.611 115.700 0.015 0.000 2.486 424 S HA 0.059 4.529 4.470 -0.000 0.000 0.220 424 S C 1.656 176.264 174.600 0.014 0.000 1.011 424 S CA 0.676 58.886 58.200 0.016 0.000 0.921 424 S CB -0.008 63.206 63.200 0.024 0.000 0.785 424 S HN 0.616 nan 8.310 nan 0.000 0.517 425 K N 1.402 121.810 120.400 0.013 0.000 2.044 425 K HA 0.269 4.589 4.320 -0.000 0.000 0.204 425 K C 1.233 177.838 176.600 0.008 0.000 1.045 425 K CA 0.748 57.041 56.287 0.011 0.000 0.951 425 K CB -0.427 32.080 32.500 0.011 0.000 0.738 425 K HN 0.304 nan 8.250 nan 0.000 0.443 426 L N 1.732 122.959 121.223 0.007 0.000 2.962 426 L HA -0.040 4.300 4.340 -0.000 0.000 0.263 426 L C 1.720 178.593 176.870 0.004 0.000 1.152 426 L CA -0.328 54.514 54.840 0.005 0.000 0.954 426 L CB -0.731 41.330 42.059 0.004 0.000 1.213 426 L HN 0.202 nan 8.230 nan 0.000 0.422 427 A N -0.669 122.154 122.820 0.005 0.000 2.172 427 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 427 A C 1.749 179.335 177.584 0.003 0.000 1.154 427 A CA 1.134 53.173 52.037 0.004 0.000 0.701 427 A CB -0.138 18.865 19.000 0.005 0.000 0.789 427 A HN 0.390 nan 8.150 nan 0.000 0.465 428 D N -1.141 119.260 120.400 0.003 0.000 2.389 428 D HA 0.103 4.743 4.640 -0.000 0.000 0.206 428 D C 0.320 176.621 176.300 0.001 0.000 1.055 428 D CA -0.214 53.787 54.000 0.002 0.000 0.856 428 D CB 0.047 40.849 40.800 0.002 0.000 0.957 428 D HN 0.345 nan 8.370 nan 0.000 0.509 429 L N 2.236 123.460 121.223 0.001 0.000 2.578 429 L HA 0.011 4.351 4.340 -0.000 0.000 0.279 429 L C 0.182 177.053 176.870 0.000 0.000 1.227 429 L CA 0.752 55.593 54.840 0.001 0.000 0.900 429 L CB 0.072 42.131 42.059 0.001 0.000 1.144 429 L HN -0.162 nan 8.230 nan 0.000 0.496 430 R N 3.125 123.625 120.500 0.000 0.000 2.855 430 R HA 0.723 5.063 4.340 -0.000 0.000 0.266 430 R C -0.267 176.033 176.300 -0.001 0.000 1.034 430 R CA -0.350 55.750 56.100 -0.000 0.000 0.944 430 R CB 1.477 31.777 30.300 -0.000 0.000 1.219 430 R HN 0.795 nan 8.270 nan 0.000 0.474 431 G N -0.369 108.431 108.800 -0.001 0.000 3.212 431 G HA2 0.226 4.186 3.960 -0.000 0.000 0.188 431 G HA3 0.226 4.186 3.960 -0.000 0.000 0.188 431 G C 0.022 174.921 174.900 -0.001 0.000 1.254 431 G CA -0.196 44.903 45.100 -0.001 0.000 0.957 431 G HN 0.412 nan 8.290 nan 0.000 0.596 432 Q N -0.398 119.401 119.800 -0.001 0.000 2.204 432 Q HA 0.105 4.445 4.340 -0.000 0.000 0.198 432 Q C -0.071 175.928 176.000 -0.002 0.000 0.946 432 Q CA 0.731 56.533 55.803 -0.002 0.000 0.859 432 Q CB 0.126 28.863 28.738 -0.002 0.000 0.946 432 Q HN 0.590 nan 8.270 nan 0.000 0.474 433 N N -1.526 117.173 118.700 -0.002 0.000 2.321 433 N HA 0.403 5.143 4.740 -0.000 0.000 0.290 433 N C -0.047 175.462 175.510 -0.002 0.000 1.212 433 N CA -0.020 53.029 53.050 -0.002 0.000 0.767 433 N CB 0.707 39.192 38.487 -0.002 0.000 1.494 433 N HN -0.072 nan 8.380 nan 0.000 0.479 434 A N 0.456 123.275 122.820 -0.001 0.000 1.915 434 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 434 A C 1.006 178.590 177.584 -0.001 0.000 1.198 434 A CA 2.076 54.113 52.037 -0.001 0.000 0.647 434 A CB -1.024 17.975 19.000 -0.001 0.000 0.825 434 A HN 0.759 nan 8.150 nan 0.000 0.456 435 D N -1.143 119.256 120.400 -0.002 0.000 2.420 435 D HA -0.064 4.576 4.640 -0.000 0.000 0.233 435 D C 1.619 177.919 176.300 -0.001 0.000 1.017 435 D CA 1.004 55.003 54.000 -0.002 0.000 0.951 435 D CB -0.041 40.757 40.800 -0.002 0.000 0.877 435 D HN 0.738 nan 8.370 nan 0.000 0.528 436 Q N -1.007 118.792 119.800 -0.001 0.000 2.404 436 Q HA 0.092 4.432 4.340 -0.000 0.000 0.262 436 Q C 1.382 177.382 176.000 -0.001 0.000 0.846 436 Q CA -0.232 55.570 55.803 -0.001 0.000 0.978 436 Q CB 0.536 29.273 28.738 -0.001 0.000 1.156 436 Q HN 0.023 nan 8.270 nan 0.000 0.548 437 N N 0.175 118.874 118.700 -0.001 0.000 2.166 437 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 437 N C 1.664 177.174 175.510 0.000 0.000 1.019 437 N CA 1.056 54.106 53.050 -0.000 0.000 0.856 437 N CB 0.047 38.534 38.487 -0.000 0.000 0.993 437 N HN 0.047 nan 8.380 nan 0.000 0.426 438 V N 0.675 120.589 119.914 -0.000 0.000 2.453 438 V HA -0.062 4.057 4.120 -0.000 0.000 0.247 438 V C 2.300 178.395 176.094 0.000 0.000 1.048 438 V CA 1.710 64.010 62.300 0.000 0.000 1.049 438 V CB -0.992 30.831 31.823 -0.000 0.000 0.672 438 V HN 0.314 nan 8.190 nan 0.000 0.457 439 G N -0.502 108.299 108.800 0.000 0.000 2.535 439 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 439 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 439 G C 1.388 176.289 174.900 0.001 0.000 1.122 439 G CA 0.752 45.852 45.100 0.001 0.000 0.769 439 G HN 0.512 nan 8.290 nan 0.000 0.549 440 I N -0.535 120.035 120.570 0.001 0.000 2.726 440 I HA 0.052 4.222 4.170 -0.000 0.000 0.243 440 I C 2.375 178.492 176.117 0.001 0.000 1.082 440 I CA 0.163 61.463 61.300 0.001 0.000 1.447 440 I CB -0.116 37.885 38.000 0.001 0.000 1.250 440 I HN -0.162 nan 8.210 nan 0.000 0.453 441 K N 1.033 121.434 120.400 0.001 0.000 2.163 441 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 441 K C 2.067 178.668 176.600 0.002 0.000 1.048 441 K CA 1.205 57.493 56.287 0.001 0.000 0.928 441 K CB -0.981 31.519 32.500 0.001 0.000 0.716 441 K HN 0.199 nan 8.250 nan 0.000 0.459 442 V N 1.206 121.121 119.914 0.001 0.000 2.295 442 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 442 V C 2.411 178.507 176.094 0.002 0.000 1.049 442 V CA 2.016 64.317 62.300 0.002 0.000 1.024 442 V CB -0.706 31.118 31.823 0.002 0.000 0.648 442 V HN 0.364 nan 8.190 nan 0.000 0.447 443 A N -0.818 122.004 122.820 0.002 0.000 2.019 443 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 443 A C 2.137 179.723 177.584 0.003 0.000 1.164 443 A CA 1.524 53.562 52.037 0.003 0.000 0.644 443 A CB -0.360 18.641 19.000 0.002 0.000 0.805 443 A HN 0.534 nan 8.150 nan 0.000 0.449 444 L N -1.536 119.689 121.223 0.002 0.000 2.062 444 L HA -0.024 4.315 4.340 -0.000 0.000 0.202 444 L C 2.639 179.510 176.870 0.003 0.000 1.079 444 L CA 1.287 56.129 54.840 0.003 0.000 0.755 444 L CB -0.597 41.464 42.059 0.003 0.000 0.913 444 L HN 0.376 nan 8.230 nan 0.000 0.445 445 R N 0.887 121.389 120.500 0.002 0.000 2.261 445 R HA -0.175 4.165 4.340 -0.000 0.000 0.236 445 R C 1.647 177.947 176.300 0.000 0.000 1.141 445 R CA 1.290 57.391 56.100 0.001 0.000 1.001 445 R CB -0.089 30.211 30.300 0.001 0.000 0.866 445 R HN 0.386 nan 8.270 nan 0.000 0.468 446 A N -0.422 122.398 122.820 0.001 0.000 2.307 446 A HA 0.143 4.463 4.320 -0.000 0.000 0.218 446 A C 1.448 179.034 177.584 0.002 0.000 1.228 446 A CA -0.081 51.957 52.037 0.002 0.000 0.857 446 A CB 0.094 19.096 19.000 0.003 0.000 0.897 446 A HN 0.317 nan 8.150 nan 0.000 0.495 447 M N -1.421 118.180 119.600 0.002 0.000 2.461 447 M HA 0.123 4.603 4.480 -0.000 0.000 0.255 447 M C 1.044 177.344 176.300 0.000 0.000 1.137 447 M CA 0.422 55.724 55.300 0.003 0.000 1.086 447 M CB 0.170 32.773 32.600 0.004 0.000 1.356 447 M HN 0.328 nan 8.290 nan 0.000 0.487 448 E N 1.122 121.321 120.200 -0.002 0.000 2.511 448 E HA 0.041 4.391 4.350 -0.000 0.000 0.196 448 E C 1.752 178.345 176.600 -0.012 0.000 1.066 448 E CA 0.207 56.603 56.400 -0.006 0.000 0.871 448 E CB 0.140 29.836 29.700 -0.006 0.000 0.863 448 E HN 0.458 nan 8.360 nan 0.000 0.520 449 A N 2.085 124.900 122.820 -0.008 0.000 1.832 449 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 449 A C -0.365 177.211 177.584 -0.014 0.000 1.204 449 A CA 0.724 52.755 52.037 -0.011 0.000 0.606 449 A CB -1.442 17.555 19.000 -0.005 0.000 0.849 449 A HN 0.082 nan 8.150 nan 0.000 0.445 450 P HA -0.214 nan 4.420 nan 0.000 0.217 450 P C 1.686 178.975 177.300 -0.019 0.000 1.158 450 P CA 1.434 64.528 63.100 -0.010 0.000 0.887 450 P CB -0.072 31.626 31.700 -0.002 0.000 0.792 451 L N -0.658 120.551 121.223 -0.024 0.000 1.961 451 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 451 L C 2.405 179.235 176.870 -0.066 0.000 1.075 451 L CA 1.805 56.618 54.840 -0.044 0.000 0.749 451 L CB -0.916 41.116 42.059 -0.044 0.000 0.890 451 L HN -0.279 nan 8.230 nan 0.000 0.433 452 R N -1.013 119.451 120.500 -0.060 0.000 2.257 452 R HA -0.307 4.033 4.340 -0.000 0.000 0.265 452 R C 2.247 178.511 176.300 -0.060 0.000 1.191 452 R CA 1.903 57.965 56.100 -0.064 0.000 1.010 452 R CB -0.340 29.935 30.300 -0.041 0.000 0.883 452 R HN 0.492 nan 8.270 nan 0.000 0.473 453 Q N 0.562 120.334 119.800 -0.046 0.000 1.984 453 Q HA -0.012 4.328 4.340 -0.000 0.000 0.196 453 Q C 1.890 177.864 176.000 -0.043 0.000 0.975 453 Q CA 1.445 57.226 55.803 -0.037 0.000 0.827 453 Q CB -0.065 28.659 28.738 -0.023 0.000 0.894 453 Q HN 0.341 nan 8.270 nan 0.000 0.438 454 I N -0.048 120.497 120.570 -0.042 0.000 2.315 454 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 454 I C 1.943 178.024 176.117 -0.061 0.000 1.125 454 I CA 0.893 62.171 61.300 -0.036 0.000 1.392 454 I CB -0.597 37.391 38.000 -0.021 0.000 1.065 454 I HN 0.019 nan 8.210 nan 0.000 0.424 455 V N 0.898 120.741 119.914 -0.118 0.000 2.867 455 V HA -0.204 3.916 4.120 -0.000 0.000 0.260 455 V C 2.223 178.253 176.094 -0.108 0.000 1.099 455 V CA 1.329 63.517 62.300 -0.187 0.000 1.122 455 V CB -0.370 31.287 31.823 -0.277 0.000 0.708 455 V HN 0.369 nan 8.190 nan 0.000 0.490 456 L N 0.176 121.357 121.223 -0.070 0.000 2.249 456 L HA 0.180 4.520 4.340 -0.000 0.000 0.207 456 L C 1.826 178.679 176.870 -0.029 0.000 1.090 456 L CA 1.342 56.155 54.840 -0.045 0.000 0.802 456 L CB -0.501 41.537 42.059 -0.036 0.000 0.947 456 L HN 0.254 nan 8.230 nan 0.000 0.453 457 N N -1.230 117.455 118.700 -0.025 0.000 2.575 457 N HA -0.060 4.680 4.740 -0.000 0.000 0.192 457 N C 0.646 176.152 175.510 -0.007 0.000 1.200 457 N CA 0.716 53.758 53.050 -0.013 0.000 0.897 457 N CB -0.365 38.116 38.487 -0.010 0.000 0.990 457 N HN 0.376 nan 8.380 nan 0.000 0.449 458 C N -1.417 117.877 119.300 -0.010 0.000 3.386 458 C HA 0.394 4.854 4.460 -0.000 0.000 0.279 458 C C 1.639 176.629 174.990 0.000 0.000 1.508 458 C CA -0.391 58.629 59.018 0.004 0.000 1.801 458 C CB -0.477 27.276 27.740 0.022 0.000 2.798 458 C HN 0.480 nan 8.230 nan 0.000 0.605 459 G N 1.779 110.573 108.800 -0.009 0.000 2.200 459 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.267 459 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.267 459 G C -0.222 174.673 174.900 -0.008 0.000 0.993 459 G CA 0.578 45.674 45.100 -0.007 0.000 0.701 459 G HN 0.580 nan 8.290 nan 0.000 0.524 460 E N 0.946 121.135 120.200 -0.018 0.000 2.174 460 E HA 0.278 4.628 4.350 -0.000 0.000 0.282 460 E C 0.431 177.003 176.600 -0.047 0.000 0.992 460 E CA -0.532 55.855 56.400 -0.022 0.000 0.803 460 E CB 0.762 30.450 29.700 -0.021 0.000 1.090 460 E HN 0.575 nan 8.360 nan 0.000 0.396 461 E N 4.282 124.465 120.200 -0.027 0.000 2.757 461 E HA -0.092 4.258 4.350 -0.000 0.000 0.238 461 E C -1.558 175.009 176.600 -0.055 0.000 1.057 461 E CA -0.852 55.530 56.400 -0.029 0.000 0.952 461 E CB 0.218 29.913 29.700 -0.009 0.000 0.934 461 E HN 0.208 nan 8.360 nan 0.000 0.518 462 P HA -0.154 nan 4.420 nan 0.000 0.218 462 P C 1.035 178.300 177.300 -0.058 0.000 1.149 462 P CA 0.864 63.911 63.100 -0.089 0.000 0.817 462 P CB 0.296 31.953 31.700 -0.072 0.000 0.785 463 S N -0.340 115.340 115.700 -0.035 0.000 2.393 463 S HA -0.184 4.286 4.470 -0.000 0.000 0.234 463 S C 1.929 176.522 174.600 -0.012 0.000 1.064 463 S CA 1.901 60.090 58.200 -0.019 0.000 1.088 463 S CB -1.608 61.586 63.200 -0.010 0.000 0.939 463 S HN -0.001 nan 8.310 nan 0.000 0.448 464 V N 1.204 121.113 119.914 -0.007 0.000 2.278 464 V HA -0.071 4.049 4.120 -0.000 0.000 0.238 464 V C 2.359 178.469 176.094 0.026 0.000 1.039 464 V CA 1.201 63.511 62.300 0.017 0.000 1.017 464 V CB -0.988 30.858 31.823 0.038 0.000 0.657 464 V HN 0.360 nan 8.190 nan 0.000 0.462 465 V N 0.761 120.676 119.914 0.001 0.000 2.353 465 V HA -0.397 3.723 4.120 -0.000 0.000 0.260 465 V C 2.624 178.721 176.094 0.004 0.000 1.091 465 V CA 2.493 64.784 62.300 -0.016 0.000 1.088 465 V CB -1.329 30.268 31.823 -0.376 0.000 0.672 465 V HN 0.591 nan 8.190 nan 0.000 0.455 466 A N 0.254 123.054 122.820 -0.034 0.000 1.832 466 A HA -0.248 4.072 4.320 -0.000 0.000 0.214 466 A C 2.055 179.647 177.584 0.014 0.000 1.204 466 A CA 1.928 53.955 52.037 -0.017 0.000 0.606 466 A CB -0.926 18.057 19.000 -0.028 0.000 0.849 466 A HN 0.612 nan 8.150 nan 0.000 0.445 467 N N -0.566 118.141 118.700 0.012 0.000 2.111 467 N HA -0.193 4.547 4.740 -0.000 0.000 0.197 467 N C 1.592 177.118 175.510 0.028 0.000 1.011 467 N CA 2.738 55.799 53.050 0.018 0.000 0.880 467 N CB -0.517 37.979 38.487 0.015 0.000 1.031 467 N HN 0.394 nan 8.380 nan 0.000 0.444 468 T N -0.875 113.700 114.554 0.034 0.000 2.857 468 T HA -0.002 4.348 4.350 -0.000 0.000 0.266 468 T C 1.828 176.549 174.700 0.035 0.000 1.048 468 T CA 1.061 63.169 62.100 0.013 0.000 1.139 468 T CB -0.216 68.628 68.868 -0.040 0.000 0.874 468 T HN 0.069 nan 8.240 nan 0.000 0.455 469 V N 1.408 121.351 119.914 0.048 0.000 2.626 469 V HA -0.122 3.998 4.120 -0.000 0.000 0.252 469 V C 2.381 178.529 176.094 0.090 0.000 1.067 469 V CA 1.441 63.759 62.300 0.030 0.000 1.081 469 V CB -0.436 31.404 31.823 0.028 0.000 0.686 469 V HN 0.449 nan 8.190 nan 0.000 0.468 470 K N 0.442 120.881 120.400 0.066 0.000 2.031 470 K HA -0.028 4.292 4.320 -0.000 0.000 0.205 470 K C 1.990 178.632 176.600 0.070 0.000 1.049 470 K CA 1.194 57.517 56.287 0.060 0.000 0.939 470 K CB -0.581 31.940 32.500 0.035 0.000 0.717 470 K HN 0.525 nan 8.250 nan 0.000 0.438 471 G N 0.749 109.587 108.800 0.064 0.000 2.894 471 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.203 471 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.203 471 G C 0.411 175.342 174.900 0.052 0.000 1.173 471 G CA 0.668 45.796 45.100 0.047 0.000 0.854 471 G HN 0.376 nan 8.290 nan 0.000 0.510 472 G N -0.495 108.364 108.800 0.098 0.000 3.253 472 G HA2 0.618 4.578 3.960 -0.000 0.000 0.175 472 G HA3 0.618 4.578 3.960 -0.000 0.000 0.175 472 G C -1.345 173.594 174.900 0.066 0.000 1.098 472 G CA 0.137 45.273 45.100 0.060 0.000 0.790 472 G HN 0.406 nan 8.290 nan 0.000 0.648 473 D N -2.961 117.491 120.400 0.086 0.000 2.807 473 D HA 0.530 5.170 4.640 -0.000 0.000 0.279 473 D C 0.392 176.746 176.300 0.089 0.000 1.247 473 D CA 0.677 54.721 54.000 0.072 0.000 0.749 473 D CB 0.393 41.208 40.800 0.025 0.000 1.264 473 D HN 1.966 nan 8.370 nan 0.000 0.421 474 G N 0.151 108.995 108.800 0.072 0.000 2.542 474 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.235 474 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.235 474 G C -0.201 174.760 174.900 0.102 0.000 1.286 474 G CA 0.023 45.167 45.100 0.073 0.000 0.904 474 G HN 0.785 nan 8.290 nan 0.000 0.577 475 N N -0.002 118.760 118.700 0.105 0.000 2.322 475 N HA 0.179 4.919 4.740 -0.000 0.000 0.216 475 N C 0.087 175.693 175.510 0.160 0.000 1.144 475 N CA -0.163 52.950 53.050 0.106 0.000 0.830 475 N CB 0.172 38.705 38.487 0.075 0.000 1.034 475 N HN 0.489 nan 8.380 nan 0.000 0.484 476 Y N 1.507 121.835 120.300 0.047 0.000 2.605 476 Y HA 0.272 4.822 4.550 -0.000 0.000 0.336 476 Y C 0.586 176.551 175.900 0.107 0.000 1.111 476 Y CA -0.245 57.896 58.100 0.067 0.000 1.422 476 Y CB -0.048 38.439 38.460 0.044 0.000 1.193 476 Y HN -0.027 nan 8.280 nan 0.000 0.526 477 G N 4.632 113.343 108.800 -0.149 0.000 3.247 477 G HA2 0.313 4.273 3.960 -0.000 0.000 0.226 477 G HA3 0.313 4.273 3.960 -0.000 0.000 0.226 477 G C -2.194 172.674 174.900 -0.054 0.000 1.220 477 G CA -0.874 44.150 45.100 -0.127 0.000 0.875 477 G HN 0.594 nan 8.290 nan 0.000 0.606 478 Y N 0.847 121.069 120.300 -0.130 0.000 2.373 478 Y HA 0.547 5.097 4.550 -0.000 0.000 0.336 478 Y C -0.596 175.182 175.900 -0.204 0.000 0.979 478 Y CA -1.201 56.737 58.100 -0.270 0.000 1.080 478 Y CB 1.797 40.054 38.460 -0.338 0.000 1.190 478 Y HN 0.440 nan 8.280 nan 0.000 0.446 479 N N 4.477 122.908 118.700 -0.448 0.000 2.411 479 N HA 0.204 4.944 4.740 -0.000 0.000 0.259 479 N C 0.538 175.858 175.510 -0.315 0.000 1.103 479 N CA 0.759 53.647 53.050 -0.271 0.000 0.954 479 N CB 1.796 40.133 38.487 -0.251 0.000 1.085 479 N HN 0.979 nan 8.380 nan 0.000 0.485 480 A N 4.526 127.359 122.820 0.021 0.000 1.858 480 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 480 A C 2.065 179.656 177.584 0.011 0.000 1.190 480 A CA 2.021 54.145 52.037 0.145 0.000 0.617 480 A CB -0.989 18.075 19.000 0.105 0.000 0.827 480 A HN 0.754 nan 8.150 nan 0.000 0.443 481 A N -0.463 122.335 122.820 -0.037 0.000 1.858 481 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 481 A C 2.475 180.008 177.584 -0.086 0.000 1.190 481 A CA 2.805 54.814 52.037 -0.046 0.000 0.617 481 A CB -1.477 17.500 19.000 -0.038 0.000 0.827 481 A HN 0.880 nan 8.150 nan 0.000 0.443 482 T N -3.379 111.091 114.554 -0.139 0.000 3.055 482 T HA 0.026 4.376 4.350 -0.000 0.000 0.265 482 T C 0.533 175.096 174.700 -0.227 0.000 1.111 482 T CA 1.094 63.099 62.100 -0.157 0.000 1.118 482 T CB -0.410 68.366 68.868 -0.152 0.000 0.909 482 T HN 0.596 nan 8.240 nan 0.000 0.501 483 E N 0.523 120.503 120.200 -0.366 0.000 2.971 483 E HA -0.132 4.218 4.350 -0.000 0.000 0.278 483 E C -0.765 175.479 176.600 -0.594 0.000 1.009 483 E CA 0.791 56.910 56.400 -0.469 0.000 0.862 483 E CB -1.142 28.467 29.700 -0.151 0.000 1.436 483 E HN 0.693 nan 8.360 nan 0.000 0.434 484 E N -0.487 119.320 120.200 -0.656 0.000 2.317 484 E HA 0.401 4.751 4.350 -0.000 0.000 0.270 484 E C -0.241 176.049 176.600 -0.516 0.000 0.885 484 E CA -0.628 55.502 56.400 -0.449 0.000 0.760 484 E CB 1.004 30.597 29.700 -0.179 0.000 1.227 484 E HN -0.017 nan 8.360 nan 0.000 0.434 485 Y N 0.448 120.633 120.300 -0.192 0.000 2.314 485 Y HA 0.588 5.138 4.550 -0.000 0.000 0.359 485 Y C 1.491 177.380 175.900 -0.019 0.000 1.360 485 Y CA 0.735 58.750 58.100 -0.141 0.000 1.697 485 Y CB 0.551 38.960 38.460 -0.085 0.000 1.630 485 Y HN 0.724 nan 8.280 nan 0.000 0.583 486 G N -0.293 108.671 108.800 0.273 0.000 2.325 486 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.285 486 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.285 486 G C -1.634 173.409 174.900 0.238 0.000 1.303 486 G CA -1.041 44.227 45.100 0.279 0.000 0.970 486 G HN 0.640 nan 8.290 nan 0.000 0.490 487 N N 1.246 120.046 118.700 0.168 0.000 2.405 487 N HA 0.133 4.873 4.740 -0.000 0.000 0.260 487 N C 1.898 177.453 175.510 0.075 0.000 1.152 487 N CA -0.413 52.714 53.050 0.128 0.000 0.948 487 N CB 0.563 39.105 38.487 0.092 0.000 1.111 487 N HN 0.439 nan 8.380 nan 0.000 0.485 488 M N 3.400 123.040 119.600 0.067 0.000 2.267 488 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 488 M C 1.442 177.761 176.300 0.031 0.000 1.063 488 M CA 0.912 56.234 55.300 0.037 0.000 1.090 488 M CB -0.420 32.202 32.600 0.036 0.000 1.392 488 M HN 0.545 nan 8.290 nan 0.000 0.422 489 I N 0.133 120.725 120.570 0.038 0.000 2.333 489 I HA -0.196 3.974 4.170 -0.000 0.000 0.246 489 I C 1.869 178.001 176.117 0.024 0.000 1.106 489 I CA 1.168 62.486 61.300 0.029 0.000 1.411 489 I CB -1.250 36.769 38.000 0.030 0.000 1.082 489 I HN 0.210 nan 8.210 nan 0.000 0.420 490 D N 0.853 121.269 120.400 0.028 0.000 2.117 490 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 490 D C 2.186 178.495 176.300 0.016 0.000 0.987 490 D CA 1.110 55.123 54.000 0.022 0.000 0.829 490 D CB -0.141 40.675 40.800 0.027 0.000 0.961 490 D HN 0.283 nan 8.370 nan 0.000 0.460 491 M N -0.332 119.277 119.600 0.015 0.000 2.700 491 M HA 0.043 4.523 4.480 -0.000 0.000 0.249 491 M C 1.039 177.339 176.300 0.000 0.000 1.082 491 M CA 0.761 56.063 55.300 0.003 0.000 1.077 491 M CB -0.039 32.558 32.600 -0.005 0.000 1.477 491 M HN 0.081 nan 8.290 nan 0.000 0.529 492 G N 2.030 110.834 108.800 0.006 0.000 2.176 492 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.252 492 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.252 492 G C -0.004 174.899 174.900 0.005 0.000 1.024 492 G CA -0.164 44.939 45.100 0.005 0.000 0.755 492 G HN 0.537 nan 8.290 nan 0.000 0.507 493 I N 0.762 121.336 120.570 0.007 0.000 2.371 493 I HA 0.580 4.750 4.170 -0.000 0.000 0.282 493 I C 0.140 176.265 176.117 0.014 0.000 1.031 493 I CA -0.856 60.449 61.300 0.008 0.000 1.180 493 I CB 0.668 38.671 38.000 0.005 0.000 1.336 493 I HN 0.265 nan 8.210 nan 0.000 0.467 494 L N 3.817 125.048 121.223 0.014 0.000 2.710 494 L HA 0.702 5.042 4.340 -0.000 0.000 0.260 494 L C -1.745 175.134 176.870 0.016 0.000 0.993 494 L CA -0.801 54.049 54.840 0.016 0.000 0.877 494 L CB 1.791 43.860 42.059 0.017 0.000 1.461 494 L HN 0.118 nan 8.230 nan 0.000 0.413 495 D N -0.167 120.243 120.400 0.017 0.000 2.575 495 D HA 0.524 5.164 4.640 -0.000 0.000 0.236 495 D C -2.815 173.496 176.300 0.018 0.000 1.075 495 D CA -1.268 52.742 54.000 0.018 0.000 0.860 495 D CB 2.207 43.017 40.800 0.017 0.000 1.475 495 D HN 0.353 nan 8.370 nan 0.000 0.474 496 P HA -0.006 nan 4.420 nan 0.000 0.269 496 P C 0.881 178.192 177.300 0.017 0.000 1.211 496 P CA 0.161 63.273 63.100 0.020 0.000 0.781 496 P CB 0.604 32.320 31.700 0.026 0.000 0.877 497 T N 0.904 115.467 114.554 0.014 0.000 2.812 497 T HA -0.142 4.208 4.350 -0.000 0.000 0.264 497 T C 1.639 176.343 174.700 0.008 0.000 1.042 497 T CA 1.077 63.183 62.100 0.010 0.000 1.140 497 T CB -0.374 68.499 68.868 0.007 0.000 0.870 497 T HN 0.479 nan 8.240 nan 0.000 0.445 498 K N 0.916 121.322 120.400 0.010 0.000 2.049 498 K HA -0.231 4.089 4.320 -0.000 0.000 0.219 498 K C 2.394 179.000 176.600 0.010 0.000 1.056 498 K CA 2.249 58.541 56.287 0.009 0.000 0.946 498 K CB -0.651 31.860 32.500 0.019 0.000 0.723 498 K HN 0.311 nan 8.250 nan 0.000 0.453 499 V N -0.244 119.683 119.914 0.021 0.000 2.261 499 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 499 V C 1.767 177.872 176.094 0.019 0.000 1.047 499 V CA 2.569 64.885 62.300 0.027 0.000 1.015 499 V CB -1.041 30.801 31.823 0.031 0.000 0.642 499 V HN 0.427 nan 8.190 nan 0.000 0.446 500 T N 0.081 114.643 114.554 0.014 0.000 2.996 500 T HA -0.132 4.218 4.350 -0.000 0.000 0.271 500 T C 1.769 176.470 174.700 0.001 0.000 1.126 500 T CA 1.911 64.017 62.100 0.011 0.000 1.103 500 T CB -0.369 68.505 68.868 0.010 0.000 0.870 500 T HN 0.694 nan 8.240 nan 0.000 0.528 501 R N 0.865 121.360 120.500 -0.009 0.000 2.046 501 R HA 0.009 4.349 4.340 -0.000 0.000 0.223 501 R C 2.620 178.886 176.300 -0.055 0.000 1.179 501 R CA 1.259 57.340 56.100 -0.031 0.000 0.952 501 R CB -0.511 29.766 30.300 -0.038 0.000 0.843 501 R HN 0.139 nan 8.270 nan 0.000 0.439 502 S N 0.959 116.621 115.700 -0.064 0.000 2.393 502 S HA -0.318 4.152 4.470 -0.000 0.000 0.235 502 S C 2.053 176.642 174.600 -0.018 0.000 1.061 502 S CA 1.837 59.972 58.200 -0.107 0.000 1.129 502 S CB -0.661 62.547 63.200 0.014 0.000 1.011 502 S HN 0.617 nan 8.310 nan 0.000 0.436 503 A N 0.756 123.607 122.820 0.052 0.000 1.948 503 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 503 A C 2.142 179.757 177.584 0.051 0.000 1.177 503 A CA 1.801 53.886 52.037 0.080 0.000 0.636 503 A CB -0.660 18.372 19.000 0.054 0.000 0.815 503 A HN 0.439 nan 8.150 nan 0.000 0.449 504 L N -0.452 120.777 121.223 0.010 0.000 2.156 504 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 504 L C 2.401 179.265 176.870 -0.011 0.000 1.095 504 L CA 2.029 56.870 54.840 0.002 0.000 0.770 504 L CB -0.558 41.496 42.059 -0.009 0.000 0.914 504 L HN 0.514 nan 8.230 nan 0.000 0.439 505 Q N -1.713 118.050 119.800 -0.062 0.000 1.984 505 Q HA -0.169 4.171 4.340 -0.000 0.000 0.196 505 Q C 2.191 178.174 176.000 -0.028 0.000 0.975 505 Q CA 1.671 57.413 55.803 -0.101 0.000 0.827 505 Q CB -0.488 28.109 28.738 -0.236 0.000 0.894 505 Q HN 0.416 nan 8.270 nan 0.000 0.438 506 Y N 1.021 121.323 120.300 0.003 0.000 2.193 506 Y HA -0.257 4.293 4.550 -0.000 0.000 0.285 506 Y C 2.443 178.344 175.900 0.002 0.000 1.166 506 Y CA 0.978 59.080 58.100 0.002 0.000 1.181 506 Y CB -0.944 37.517 38.460 0.002 0.000 0.976 506 Y HN 0.189 nan 8.280 nan 0.000 0.520 507 A N -0.086 122.830 122.820 0.160 0.000 1.877 507 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 507 A C 2.537 180.160 177.584 0.066 0.000 1.186 507 A CA 2.044 54.134 52.037 0.089 0.000 0.620 507 A CB -1.268 17.768 19.000 0.059 0.000 0.822 507 A HN 0.399 nan 8.150 nan 0.000 0.443 508 A N -0.622 122.230 122.820 0.053 0.000 1.865 508 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 508 A C 2.460 180.070 177.584 0.043 0.000 1.191 508 A CA 2.361 54.418 52.037 0.034 0.000 0.623 508 A CB -1.244 17.765 19.000 0.016 0.000 0.826 508 A HN 0.680 nan 8.150 nan 0.000 0.444 509 S N -0.591 115.149 115.700 0.066 0.000 2.427 509 S HA -0.222 4.247 4.470 -0.000 0.000 0.231 509 S C 1.905 176.539 174.600 0.056 0.000 1.045 509 S CA 2.385 60.629 58.200 0.073 0.000 1.154 509 S CB -0.940 62.342 63.200 0.136 0.000 1.093 509 S HN 0.401 nan 8.310 nan 0.000 0.422 510 V N 2.857 122.809 119.914 0.062 0.000 2.215 510 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 510 V C 2.940 179.050 176.094 0.026 0.000 1.054 510 V CA 2.431 64.754 62.300 0.037 0.000 1.012 510 V CB -1.708 30.134 31.823 0.032 0.000 0.639 510 V HN 0.749 nan 8.190 nan 0.000 0.448 511 A N 0.204 123.040 122.820 0.026 0.000 1.954 511 A HA -0.290 4.029 4.320 -0.000 0.000 0.222 511 A C 2.350 179.942 177.584 0.014 0.000 1.199 511 A CA 2.727 54.774 52.037 0.018 0.000 0.657 511 A CB -1.544 17.467 19.000 0.018 0.000 0.823 511 A HN 0.667 nan 8.150 nan 0.000 0.463 512 G N -0.183 108.628 108.800 0.018 0.000 2.587 512 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 512 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 512 G C 1.514 176.421 174.900 0.011 0.000 1.240 512 G CA 1.202 46.310 45.100 0.013 0.000 0.794 512 G HN 0.503 nan 8.290 nan 0.000 0.580 513 L N -0.214 121.017 121.223 0.014 0.000 2.054 513 L HA -0.271 4.069 4.340 -0.000 0.000 0.220 513 L C 3.145 180.018 176.870 0.005 0.000 1.081 513 L CA 1.932 56.778 54.840 0.010 0.000 0.780 513 L CB -0.595 41.472 42.059 0.013 0.000 0.893 513 L HN 0.273 nan 8.230 nan 0.000 0.438 514 M N -0.602 119.000 119.600 0.005 0.000 2.213 514 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 514 M C 2.197 178.496 176.300 -0.002 0.000 1.062 514 M CA 1.698 56.997 55.300 -0.001 0.000 1.105 514 M CB -0.304 32.296 32.600 -0.000 0.000 1.385 514 M HN 0.233 nan 8.290 nan 0.000 0.417 515 I N -0.432 120.139 120.570 0.001 0.000 2.830 515 I HA -0.134 4.036 4.170 -0.000 0.000 0.263 515 I C 1.311 177.427 176.117 -0.002 0.000 1.230 515 I CA 0.947 62.246 61.300 -0.001 0.000 1.480 515 I CB -0.535 37.466 38.000 0.001 0.000 1.095 515 I HN 0.315 nan 8.210 nan 0.000 0.455 516 T N -2.496 112.057 114.554 -0.001 0.000 3.268 516 T HA 0.284 4.634 4.350 -0.000 0.000 0.258 516 T C 0.191 174.889 174.700 -0.003 0.000 0.966 516 T CA -0.404 61.694 62.100 -0.003 0.000 0.952 516 T CB -0.202 68.665 68.868 -0.001 0.000 1.132 516 T HN -0.107 nan 8.240 nan 0.000 0.536 517 T N 1.443 115.994 114.554 -0.004 0.000 2.824 517 T HA 0.455 4.805 4.350 -0.000 0.000 0.282 517 T C 0.261 174.961 174.700 0.000 0.000 0.993 517 T CA -0.639 61.458 62.100 -0.004 0.000 0.967 517 T CB 2.127 70.990 68.868 -0.010 0.000 0.960 517 T HN 0.096 nan 8.240 nan 0.000 0.441 518 E N 0.367 120.575 120.200 0.012 0.000 2.514 518 E HA 0.185 4.535 4.350 -0.000 0.000 0.215 518 E C -0.001 176.675 176.600 0.127 0.000 0.946 518 E CA 0.115 56.535 56.400 0.033 0.000 1.038 518 E CB 0.917 30.608 29.700 -0.014 0.000 1.069 518 E HN 0.551 nan 8.360 nan 0.000 0.503 519 C N 1.023 120.397 119.300 0.123 0.000 2.686 519 C HA 0.692 5.152 4.460 -0.000 0.000 0.318 519 C C -1.230 173.785 174.990 0.041 0.000 1.160 519 C CA -0.577 58.581 59.018 0.232 0.000 1.396 519 C CB 0.295 28.245 27.740 0.348 0.000 1.924 519 C HN 0.107 nan 8.230 nan 0.000 0.471 520 M N 5.341 124.888 119.600 -0.088 0.000 2.395 520 M HA 0.552 5.032 4.480 -0.000 0.000 0.307 520 M C -1.169 175.076 176.300 -0.091 0.000 1.091 520 M CA -0.630 54.569 55.300 -0.168 0.000 0.919 520 M CB 2.151 34.472 32.600 -0.466 0.000 1.662 520 M HN 0.363 nan 8.290 nan 0.000 0.440 521 V N 1.716 121.652 119.914 0.038 0.000 2.357 521 V HA 0.497 4.617 4.120 -0.000 0.000 0.281 521 V C -0.330 175.855 176.094 0.151 0.000 1.015 521 V CA -0.310 62.050 62.300 0.100 0.000 0.827 521 V CB 1.710 33.575 31.823 0.070 0.000 1.018 521 V HN 0.973 nan 8.190 nan 0.000 0.432 522 T N 2.400 117.087 114.554 0.222 0.000 2.907 522 T HA 0.487 4.837 4.350 -0.000 0.000 0.290 522 T C -0.499 174.217 174.700 0.027 0.000 1.066 522 T CA -0.471 61.705 62.100 0.125 0.000 1.012 522 T CB 1.791 70.740 68.868 0.134 0.000 1.184 522 T HN 0.625 nan 8.240 nan 0.000 0.522 523 D N 0.894 121.286 120.400 -0.012 0.000 2.354 523 D HA 0.316 4.956 4.640 -0.000 0.000 0.238 523 D C -0.292 175.962 176.300 -0.077 0.000 1.250 523 D CA -0.070 53.909 54.000 -0.034 0.000 0.911 523 D CB 0.270 41.051 40.800 -0.032 0.000 1.163 523 D HN 0.184 nan 8.370 nan 0.000 0.456 524 L N 2.284 123.467 121.223 -0.066 0.000 2.350 524 L HA 0.280 4.620 4.340 -0.000 0.000 0.275 524 L C -1.765 175.050 176.870 -0.091 0.000 1.099 524 L CA -1.908 52.881 54.840 -0.084 0.000 0.808 524 L CB 0.807 42.833 42.059 -0.055 0.000 1.149 524 L HN 0.314 nan 8.230 nan 0.000 0.442 525 P HA -0.069 nan 4.420 nan 0.000 0.314 525 P C -0.837 176.421 177.300 -0.069 0.000 1.521 525 P CA 0.775 63.814 63.100 -0.101 0.000 0.754 525 P CB -0.229 31.402 31.700 -0.114 0.000 1.692 526 K N 0.000 120.366 120.400 -0.057 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 526 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543