REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2eu1_1_H DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEK PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.580 177.584 -0.007 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.014 0.000 0.831 3 A N 1.815 124.632 122.820 -0.004 0.000 2.548 3 A HA 0.510 4.830 4.320 0.000 0.000 0.247 3 A C 0.338 177.918 177.584 -0.006 0.000 1.067 3 A CA 0.405 52.443 52.037 0.001 0.000 0.757 3 A CB -0.226 18.777 19.000 0.005 0.000 0.996 3 A HN 0.596 nan 8.150 nan 0.000 0.504 4 K N 1.530 121.929 120.400 -0.001 0.000 2.168 4 K HA 0.475 4.795 4.320 0.000 0.000 0.239 4 K C -0.923 175.684 176.600 0.012 0.000 0.999 4 K CA -0.711 55.569 56.287 -0.012 0.000 0.900 4 K CB 1.086 33.579 32.500 -0.012 0.000 1.111 4 K HN 0.715 nan 8.250 nan 0.000 0.452 5 D N 0.546 120.952 120.400 0.010 0.000 2.375 5 D HA 0.368 5.009 4.640 0.000 0.000 0.247 5 D C -1.403 174.992 176.300 0.160 0.000 1.061 5 D CA -0.611 53.444 54.000 0.091 0.000 0.834 5 D CB 1.446 42.311 40.800 0.108 0.000 1.247 5 D HN 0.040 nan 8.370 nan 0.000 0.489 6 V N 4.406 124.405 119.914 0.142 0.000 2.444 6 V HA 0.406 4.526 4.120 0.000 0.000 0.294 6 V C 0.150 176.192 176.094 -0.086 0.000 1.022 6 V CA -0.793 61.521 62.300 0.022 0.000 0.850 6 V CB 1.780 33.571 31.823 -0.055 0.000 0.992 6 V HN 0.380 nan 8.190 nan 0.000 0.426 7 K N 3.597 123.850 120.400 -0.246 0.000 2.203 7 K HA 0.722 5.042 4.320 0.000 0.000 0.251 7 K C -1.505 174.774 176.600 -0.536 0.000 0.944 7 K CA -0.516 55.545 56.287 -0.376 0.000 0.829 7 K CB 2.197 34.280 32.500 -0.694 0.000 1.125 7 K HN 0.427 nan 8.250 nan 0.000 0.430 8 F N -0.002 119.895 119.950 -0.089 0.000 2.561 8 F HA 0.357 4.884 4.527 0.000 0.000 0.321 8 F C 1.168 176.932 175.800 -0.059 0.000 1.065 8 F CA 0.015 57.983 58.000 -0.053 0.000 0.934 8 F CB 1.685 40.667 39.000 -0.030 0.000 1.215 8 F HN 0.836 nan 8.300 nan 0.000 0.471 9 G N 2.501 111.406 108.800 0.175 0.000 2.530 9 G HA2 -0.443 3.518 3.960 0.000 0.000 0.405 9 G HA3 -0.443 3.518 3.960 0.000 0.000 0.405 9 G C 1.298 176.212 174.900 0.023 0.000 1.363 9 G CA 0.689 45.840 45.100 0.085 0.000 0.927 9 G HN 0.858 nan 8.290 nan 0.000 0.525 10 N N -0.013 118.697 118.700 0.016 0.000 2.231 10 N HA -0.302 4.438 4.740 0.000 0.000 0.199 10 N C 1.739 177.233 175.510 -0.026 0.000 0.965 10 N CA 2.781 55.828 53.050 -0.004 0.000 0.919 10 N CB -0.384 38.102 38.487 -0.001 0.000 1.067 10 N HN 0.641 nan 8.380 nan 0.000 0.583 11 D N -0.001 120.381 120.400 -0.031 0.000 2.092 11 D HA -0.059 4.581 4.640 0.000 0.000 0.193 11 D C 1.739 177.956 176.300 -0.139 0.000 0.994 11 D CA 1.774 55.731 54.000 -0.072 0.000 0.828 11 D CB -0.533 40.230 40.800 -0.061 0.000 0.963 11 D HN 0.408 nan 8.370 nan 0.000 0.450 12 A N 0.088 122.810 122.820 -0.163 0.000 2.125 12 A HA -0.130 4.190 4.320 0.000 0.000 0.219 12 A C 2.262 179.764 177.584 -0.137 0.000 1.156 12 A CA 1.074 52.965 52.037 -0.242 0.000 0.671 12 A CB -0.316 18.551 19.000 -0.222 0.000 0.794 12 A HN 0.199 nan 8.150 nan 0.000 0.459 13 R N -0.678 119.776 120.500 -0.078 0.000 2.057 13 R HA -0.040 4.300 4.340 0.000 0.000 0.224 13 R C 2.183 178.462 176.300 -0.036 0.000 1.136 13 R CA 1.297 57.373 56.100 -0.040 0.000 0.968 13 R CB -0.640 29.647 30.300 -0.021 0.000 0.863 13 R HN 0.531 nan 8.270 nan 0.000 0.433 14 V N 0.255 120.145 119.914 -0.041 0.000 2.660 14 V HA -0.221 3.899 4.120 0.000 0.000 0.257 14 V C 1.805 177.882 176.094 -0.029 0.000 1.088 14 V CA 1.633 63.915 62.300 -0.030 0.000 1.106 14 V CB -0.469 31.335 31.823 -0.030 0.000 0.686 14 V HN 0.172 nan 8.190 nan 0.000 0.481 15 K N -0.248 120.122 120.400 -0.050 0.000 2.076 15 K HA 0.105 4.425 4.320 0.000 0.000 0.204 15 K C 2.230 178.839 176.600 0.014 0.000 1.051 15 K CA 1.678 57.950 56.287 -0.025 0.000 0.949 15 K CB -0.267 32.189 32.500 -0.072 0.000 0.726 15 K HN 0.500 nan 8.250 nan 0.000 0.443 16 M N 0.648 120.254 119.600 0.010 0.000 2.159 16 M HA -0.188 4.292 4.480 0.000 0.000 0.263 16 M C 2.233 178.544 176.300 0.018 0.000 1.063 16 M CA 1.115 56.432 55.300 0.028 0.000 1.110 16 M CB -0.311 32.302 32.600 0.021 0.000 1.374 16 M HN 0.062 nan 8.290 nan 0.000 0.411 17 L N 0.630 121.857 121.223 0.007 0.000 1.988 17 L HA -0.143 4.197 4.340 0.000 0.000 0.207 17 L C 2.349 179.224 176.870 0.008 0.000 1.071 17 L CA 1.903 56.747 54.840 0.006 0.000 0.744 17 L CB -0.642 41.417 42.059 0.001 0.000 0.893 17 L HN 0.138 nan 8.230 nan 0.000 0.433 18 R N -0.538 119.966 120.500 0.007 0.000 2.226 18 R HA -0.163 4.177 4.340 0.000 0.000 0.246 18 R C 2.014 178.322 176.300 0.014 0.000 1.161 18 R CA 1.024 57.130 56.100 0.009 0.000 0.997 18 R CB -0.760 29.546 30.300 0.009 0.000 0.870 18 R HN 0.649 nan 8.270 nan 0.000 0.465 19 G N -0.096 108.716 108.800 0.019 0.000 2.439 19 G HA2 -0.181 3.779 3.960 0.000 0.000 0.212 19 G HA3 -0.181 3.779 3.960 0.000 0.000 0.212 19 G C 1.242 176.150 174.900 0.013 0.000 1.199 19 G CA 0.298 45.411 45.100 0.020 0.000 0.807 19 G HN 0.220 nan 8.290 nan 0.000 0.537 20 V N 1.380 121.302 119.914 0.013 0.000 2.828 20 V HA -0.172 3.948 4.120 0.000 0.000 0.260 20 V C 2.281 178.379 176.094 0.006 0.000 1.101 20 V CA 2.214 64.520 62.300 0.009 0.000 1.123 20 V CB -0.513 31.316 31.823 0.010 0.000 0.704 20 V HN 0.289 nan 8.190 nan 0.000 0.493 21 N N -0.016 118.687 118.700 0.006 0.000 2.148 21 N HA -0.077 4.663 4.740 0.000 0.000 0.186 21 N C 1.804 177.315 175.510 0.003 0.000 1.031 21 N CA 1.713 54.766 53.050 0.004 0.000 0.848 21 N CB -0.468 38.021 38.487 0.004 0.000 1.005 21 N HN 0.418 nan 8.380 nan 0.000 0.427 22 V N 2.281 122.197 119.914 0.003 0.000 2.317 22 V HA -0.239 3.881 4.120 0.000 0.000 0.251 22 V C 2.411 178.505 176.094 -0.001 0.000 1.065 22 V CA 1.365 63.666 62.300 0.001 0.000 1.049 22 V CB -0.637 31.187 31.823 0.002 0.000 0.651 22 V HN 0.202 nan 8.190 nan 0.000 0.450 23 L N 0.850 122.073 121.223 -0.000 0.000 1.925 23 L HA -0.057 4.283 4.340 0.000 0.000 0.215 23 L C 2.534 179.403 176.870 -0.003 0.000 1.082 23 L CA 2.547 57.385 54.840 -0.003 0.000 0.764 23 L CB -1.413 40.644 42.059 -0.003 0.000 0.887 23 L HN 0.201 nan 8.230 nan 0.000 0.432 24 A N -0.515 122.304 122.820 -0.001 0.000 1.896 24 A HA -0.328 3.992 4.320 0.000 0.000 0.220 24 A C 2.023 179.606 177.584 -0.001 0.000 1.206 24 A CA 2.377 54.414 52.037 -0.001 0.000 0.647 24 A CB -1.340 17.662 19.000 0.002 0.000 0.828 24 A HN 0.710 nan 8.150 nan 0.000 0.455 25 D N -0.363 120.037 120.400 -0.001 0.000 2.221 25 D HA -0.069 4.571 4.640 0.000 0.000 0.204 25 D C 2.106 178.404 176.300 -0.003 0.000 0.982 25 D CA 1.470 55.469 54.000 -0.001 0.000 0.857 25 D CB -0.274 40.526 40.800 -0.001 0.000 0.934 25 D HN 0.519 nan 8.370 nan 0.000 0.475 26 A N 0.440 123.258 122.820 -0.004 0.000 1.878 26 A HA -0.035 4.285 4.320 0.000 0.000 0.213 26 A C 2.327 179.908 177.584 -0.006 0.000 1.192 26 A CA 0.601 52.635 52.037 -0.005 0.000 0.619 26 A CB -0.620 18.376 19.000 -0.006 0.000 0.837 26 A HN 0.157 nan 8.150 nan 0.000 0.446 27 V N 1.243 121.154 119.914 -0.006 0.000 2.667 27 V HA -0.187 3.933 4.120 0.000 0.000 0.252 27 V C 2.394 178.484 176.094 -0.006 0.000 1.065 27 V CA 2.462 64.758 62.300 -0.007 0.000 1.083 27 V CB -0.570 31.248 31.823 -0.009 0.000 0.692 27 V HN 0.806 nan 8.190 nan 0.000 0.468 28 K N 0.308 120.705 120.400 -0.004 0.000 2.305 28 K HA -0.021 4.299 4.320 0.000 0.000 0.199 28 K C 1.827 178.426 176.600 -0.002 0.000 1.047 28 K CA 1.477 57.763 56.287 -0.003 0.000 0.976 28 K CB -0.574 31.925 32.500 -0.001 0.000 0.765 28 K HN 0.443 nan 8.250 nan 0.000 0.474 29 V N 0.901 120.813 119.914 -0.003 0.000 2.688 29 V HA -0.199 3.921 4.120 0.000 0.000 0.256 29 V C 2.103 178.196 176.094 -0.003 0.000 1.084 29 V CA 2.049 64.347 62.300 -0.002 0.000 1.103 29 V CB -1.517 30.304 31.823 -0.003 0.000 0.688 29 V HN 0.551 nan 8.190 nan 0.000 0.480 30 T N -2.242 112.309 114.554 -0.004 0.000 3.160 30 T HA 0.201 4.551 4.350 0.000 0.000 0.257 30 T C 0.510 175.207 174.700 -0.004 0.000 1.147 30 T CA -0.115 61.983 62.100 -0.005 0.000 1.064 30 T CB -0.477 68.387 68.868 -0.006 0.000 0.949 30 T HN 0.317 nan 8.240 nan 0.000 0.526 31 L N 2.731 123.953 121.223 -0.002 0.000 2.360 31 L HA 0.546 4.886 4.340 0.000 0.000 0.276 31 L C 1.030 177.900 176.870 0.000 0.000 1.121 31 L CA 0.632 55.471 54.840 -0.001 0.000 0.845 31 L CB -0.478 41.582 42.059 0.001 0.000 1.143 31 L HN 0.634 nan 8.230 nan 0.000 0.452 32 G N 5.841 114.640 108.800 -0.001 0.000 3.295 32 G HA2 -0.174 3.786 3.960 0.000 0.000 0.627 32 G HA3 -0.174 3.786 3.960 0.000 0.000 0.627 32 G C -1.299 173.598 174.900 -0.004 0.000 0.847 32 G CA -0.501 44.597 45.100 -0.002 0.000 0.907 32 G HN 0.679 nan 8.290 nan 0.000 0.502 33 P HA -0.278 nan 4.420 nan 0.000 0.227 33 P C 1.365 178.658 177.300 -0.011 0.000 1.124 33 P CA 2.182 65.272 63.100 -0.017 0.000 0.887 33 P CB 0.033 31.716 31.700 -0.029 0.000 0.694 34 K N -1.418 118.980 120.400 -0.005 0.000 2.498 34 K HA 0.289 4.609 4.320 0.000 0.000 0.207 34 K C 0.986 177.585 176.600 -0.001 0.000 1.033 34 K CA 0.080 56.365 56.287 -0.002 0.000 1.138 34 K CB -0.141 32.361 32.500 0.004 0.000 0.860 34 K HN 0.146 nan 8.250 nan 0.000 0.490 35 G N 1.822 110.620 108.800 -0.003 0.000 2.474 35 G HA2 -0.005 3.955 3.960 0.000 0.000 0.233 35 G HA3 -0.005 3.955 3.960 0.000 0.000 0.233 35 G C 0.190 175.088 174.900 -0.003 0.000 1.278 35 G CA -0.264 44.834 45.100 -0.003 0.000 0.861 35 G HN 0.072 nan 8.290 nan 0.000 0.567 36 R N 1.047 121.545 120.500 -0.003 0.000 2.549 36 R HA 0.273 4.613 4.340 0.000 0.000 0.259 36 R C 0.122 176.419 176.300 -0.004 0.000 1.095 36 R CA -0.883 55.215 56.100 -0.003 0.000 1.148 36 R CB 0.247 30.545 30.300 -0.003 0.000 1.181 36 R HN 0.650 nan 8.270 nan 0.000 0.571 37 N N -1.077 117.620 118.700 -0.004 0.000 2.495 37 N HA 0.433 5.173 4.740 0.000 0.000 0.280 37 N C -1.061 174.445 175.510 -0.006 0.000 1.168 37 N CA -0.553 52.494 53.050 -0.005 0.000 0.978 37 N CB 1.321 39.805 38.487 -0.005 0.000 1.191 37 N HN 0.091 nan 8.380 nan 0.000 0.497 38 V N 1.236 121.146 119.914 -0.006 0.000 2.525 38 V HA 0.288 4.408 4.120 0.000 0.000 0.299 38 V C -0.489 175.600 176.094 -0.008 0.000 1.034 38 V CA -0.894 61.401 62.300 -0.007 0.000 0.863 38 V CB 1.646 33.464 31.823 -0.008 0.000 0.999 38 V HN 0.338 nan 8.190 nan 0.000 0.423 39 V N 6.329 126.238 119.914 -0.008 0.000 2.461 39 V HA 0.381 4.501 4.120 0.000 0.000 0.275 39 V C -0.024 176.064 176.094 -0.010 0.000 1.047 39 V CA -0.230 62.065 62.300 -0.009 0.000 0.955 39 V CB 1.224 33.041 31.823 -0.009 0.000 0.988 39 V HN 0.645 nan 8.190 nan 0.000 0.471 40 L N 4.061 125.278 121.223 -0.010 0.000 2.318 40 L HA 0.443 4.783 4.340 0.000 0.000 0.277 40 L C -0.104 176.759 176.870 -0.012 0.000 1.008 40 L CA -0.594 54.240 54.840 -0.011 0.000 0.846 40 L CB 1.391 43.444 42.059 -0.010 0.000 1.220 40 L HN 0.575 nan 8.230 nan 0.000 0.423 41 D N 3.379 123.769 120.400 -0.016 0.000 2.443 41 D HA 0.024 4.664 4.640 0.000 0.000 0.239 41 D C -0.178 176.111 176.300 -0.017 0.000 1.136 41 D CA 0.496 54.483 54.000 -0.021 0.000 0.879 41 D CB 0.878 41.659 40.800 -0.032 0.000 1.195 41 D HN 0.373 nan 8.370 nan 0.000 0.443 42 K N 2.635 123.027 120.400 -0.013 0.000 2.616 42 K HA 0.214 4.534 4.320 0.000 0.000 0.241 42 K C 0.900 177.502 176.600 0.004 0.000 0.961 42 K CA -0.196 56.091 56.287 0.000 0.000 0.942 42 K CB 0.454 32.962 32.500 0.013 0.000 1.153 42 K HN 0.683 nan 8.250 nan 0.000 0.452 43 S N 3.189 118.885 115.700 -0.008 0.000 2.210 43 S HA -0.325 4.145 4.470 0.000 0.000 0.532 43 S C 0.385 174.948 174.600 -0.061 0.000 0.925 43 S CA 1.337 59.527 58.200 -0.018 0.000 3.340 43 S CB -1.041 62.197 63.200 0.062 0.000 2.327 43 S HN 0.506 nan 8.310 nan 0.000 0.565 44 F N 3.309 123.256 119.950 -0.004 0.000 2.467 44 F HA 0.694 5.221 4.527 0.000 0.000 0.336 44 F C 1.008 176.806 175.800 -0.004 0.000 1.123 44 F CA 0.694 58.692 58.000 -0.004 0.000 0.964 44 F CB 1.577 40.575 39.000 -0.004 0.000 1.136 44 F HN 1.021 nan 8.300 nan 0.000 0.447 45 G N 1.786 110.720 108.800 0.224 0.000 2.302 45 G HA2 0.444 4.404 3.960 0.000 0.000 0.276 45 G HA3 0.444 4.404 3.960 0.000 0.000 0.276 45 G C -1.952 172.989 174.900 0.069 0.000 1.316 45 G CA -0.414 44.764 45.100 0.130 0.000 0.988 45 G HN 0.905 nan 8.290 nan 0.000 0.479 46 A N 0.448 123.295 122.820 0.045 0.000 2.312 46 A HA 0.886 5.206 4.320 0.000 0.000 0.326 46 A C -1.814 175.778 177.584 0.014 0.000 1.172 46 A CA -1.012 51.040 52.037 0.024 0.000 0.821 46 A CB 0.321 19.334 19.000 0.021 0.000 1.166 46 A HN 0.611 nan 8.150 nan 0.000 0.493 47 P HA 0.123 nan 4.420 nan 0.000 0.270 47 P C -0.263 177.038 177.300 0.001 0.000 1.216 47 P CA 0.437 63.536 63.100 -0.001 0.000 0.788 47 P CB 0.325 32.021 31.700 -0.006 0.000 0.883 48 T N 1.829 116.382 114.554 -0.001 0.000 2.779 48 T HA 0.529 4.879 4.350 0.000 0.000 0.280 48 T C 0.087 174.785 174.700 -0.003 0.000 0.987 48 T CA -0.321 61.779 62.100 -0.001 0.000 0.966 48 T CB 0.224 69.092 68.868 -0.001 0.000 0.933 48 T HN 0.166 nan 8.240 nan 0.000 0.442 49 I N 2.919 123.488 120.570 -0.003 0.000 2.330 49 I HA 0.448 4.618 4.170 0.000 0.000 0.289 49 I C 0.428 176.542 176.117 -0.004 0.000 1.001 49 I CA -0.402 60.896 61.300 -0.004 0.000 1.193 49 I CB 1.564 39.562 38.000 -0.003 0.000 1.345 49 I HN 0.495 nan 8.210 nan 0.000 0.461 50 T N 4.776 119.327 114.554 -0.006 0.000 2.896 50 T HA 0.410 4.760 4.350 0.000 0.000 0.297 50 T C 0.102 174.798 174.700 -0.007 0.000 1.108 50 T CA -0.528 61.568 62.100 -0.006 0.000 1.004 50 T CB 1.757 70.621 68.868 -0.008 0.000 1.159 50 T HN 0.618 nan 8.240 nan 0.000 0.499 51 K N 1.389 121.784 120.400 -0.007 0.000 2.506 51 K HA 0.190 4.510 4.320 0.000 0.000 0.204 51 K C -0.794 175.801 176.600 -0.009 0.000 1.045 51 K CA -0.173 56.109 56.287 -0.007 0.000 1.074 51 K CB 0.549 33.044 32.500 -0.007 0.000 0.842 51 K HN 0.459 nan 8.250 nan 0.000 0.514 52 D N 0.002 120.396 120.400 -0.010 0.000 2.396 52 D HA 0.120 4.760 4.640 0.000 0.000 0.225 52 D C 1.217 177.509 176.300 -0.013 0.000 1.121 52 D CA -0.130 53.862 54.000 -0.012 0.000 0.853 52 D CB 1.189 41.982 40.800 -0.013 0.000 1.043 52 D HN 0.205 nan 8.370 nan 0.000 0.500 53 G N 2.358 111.150 108.800 -0.013 0.000 2.479 53 G HA2 -0.214 3.746 3.960 0.000 0.000 0.220 53 G HA3 -0.214 3.746 3.960 0.000 0.000 0.220 53 G C 1.414 176.304 174.900 -0.018 0.000 1.115 53 G CA 0.843 45.934 45.100 -0.014 0.000 0.757 53 G HN 0.489 nan 8.290 nan 0.000 0.560 54 V N 0.805 120.706 119.914 -0.021 0.000 2.427 54 V HA -0.144 3.976 4.120 0.000 0.000 0.248 54 V C 2.928 179.007 176.094 -0.025 0.000 1.051 54 V CA 2.095 64.379 62.300 -0.027 0.000 1.048 54 V CB -0.525 31.280 31.823 -0.031 0.000 0.666 54 V HN 0.331 nan 8.190 nan 0.000 0.456 55 S N -0.023 115.664 115.700 -0.021 0.000 2.395 55 S HA -0.082 4.388 4.470 0.000 0.000 0.225 55 S C 2.047 176.636 174.600 -0.018 0.000 1.027 55 S CA 1.111 59.300 58.200 -0.019 0.000 0.965 55 S CB -0.042 63.148 63.200 -0.016 0.000 0.812 55 S HN 0.362 nan 8.310 nan 0.000 0.482 56 V N 2.075 121.979 119.914 -0.016 0.000 2.490 56 V HA -0.195 3.925 4.120 0.000 0.000 0.250 56 V C 2.557 178.641 176.094 -0.016 0.000 1.061 56 V CA 1.698 63.989 62.300 -0.015 0.000 1.064 56 V CB -1.033 30.782 31.823 -0.013 0.000 0.670 56 V HN 0.538 nan 8.190 nan 0.000 0.461 57 A N -0.207 122.602 122.820 -0.019 0.000 1.897 57 A HA -0.187 4.133 4.320 0.000 0.000 0.215 57 A C 2.379 179.949 177.584 -0.023 0.000 1.181 57 A CA 1.541 53.566 52.037 -0.021 0.000 0.620 57 A CB -0.555 18.431 19.000 -0.023 0.000 0.821 57 A HN 0.450 nan 8.150 nan 0.000 0.443 58 R N -0.345 120.139 120.500 -0.026 0.000 2.139 58 R HA -0.179 4.161 4.340 0.000 0.000 0.243 58 R C 1.420 177.704 176.300 -0.026 0.000 1.145 58 R CA 1.747 57.830 56.100 -0.029 0.000 0.976 58 R CB -0.076 30.205 30.300 -0.031 0.000 0.866 58 R HN 0.478 nan 8.270 nan 0.000 0.449 59 E N 0.095 120.281 120.200 -0.022 0.000 2.250 59 E HA 0.011 4.361 4.350 0.000 0.000 0.192 59 E C 0.546 177.135 176.600 -0.018 0.000 0.986 59 E CA 0.026 56.415 56.400 -0.020 0.000 0.849 59 E CB 0.160 29.850 29.700 -0.017 0.000 0.797 59 E HN 0.215 nan 8.360 nan 0.000 0.482 60 I N 1.944 122.504 120.570 -0.017 0.000 2.752 60 I HA -0.010 4.160 4.170 0.000 0.000 0.287 60 I C 0.526 176.634 176.117 -0.015 0.000 1.188 60 I CA 0.723 62.014 61.300 -0.014 0.000 1.427 60 I CB -0.010 37.983 38.000 -0.012 0.000 1.365 60 I HN 0.059 nan 8.210 nan 0.000 0.585 61 E N 6.331 126.523 120.200 -0.013 0.000 2.782 61 E HA 0.244 4.594 4.350 0.000 0.000 0.372 61 E C -1.623 174.971 176.600 -0.011 0.000 0.944 61 E CA -0.409 55.983 56.400 -0.014 0.000 0.749 61 E CB 0.804 30.494 29.700 -0.017 0.000 1.453 61 E HN 0.438 nan 8.360 nan 0.000 0.402 62 L N 2.814 124.032 121.223 -0.007 0.000 2.466 62 L HA 0.294 4.634 4.340 0.000 0.000 0.257 62 L C 1.772 178.638 176.870 -0.006 0.000 1.189 62 L CA -0.066 54.772 54.840 -0.003 0.000 0.813 62 L CB 0.583 42.645 42.059 0.006 0.000 1.118 62 L HN 0.694 nan 8.230 nan 0.000 0.471 63 E N 0.341 120.540 120.200 -0.003 0.000 2.051 63 E HA -0.160 4.190 4.350 0.000 0.000 0.189 63 E C 0.557 177.154 176.600 -0.005 0.000 0.979 63 E CA 0.259 56.655 56.400 -0.006 0.000 0.803 63 E CB 0.230 29.928 29.700 -0.003 0.000 0.761 63 E HN 0.650 nan 8.360 nan 0.000 0.451 64 D N 1.153 121.561 120.400 0.013 0.000 2.368 64 D HA -0.076 4.564 4.640 0.000 0.000 0.268 64 D C 0.692 176.996 176.300 0.006 0.000 1.298 64 D CA 0.020 54.039 54.000 0.033 0.000 0.938 64 D CB 0.729 41.576 40.800 0.078 0.000 1.101 64 D HN 0.088 nan 8.370 nan 0.000 0.509 65 K N 3.661 124.017 120.400 -0.072 0.000 2.163 65 K HA -0.237 4.084 4.320 0.000 0.000 0.210 65 K C 1.781 178.256 176.600 -0.208 0.000 1.048 65 K CA 1.392 57.566 56.287 -0.189 0.000 0.928 65 K CB -0.545 31.752 32.500 -0.338 0.000 0.716 65 K HN 0.457 nan 8.250 nan 0.000 0.459 66 F N 1.536 121.473 119.950 -0.022 0.000 2.074 66 F HA -0.039 4.488 4.527 0.000 0.000 0.290 66 F C 2.619 178.406 175.800 -0.021 0.000 1.118 66 F CA 1.048 59.033 58.000 -0.026 0.000 1.199 66 F CB -0.765 38.218 39.000 -0.028 0.000 1.012 66 F HN 0.060 nan 8.300 nan 0.000 0.472 67 E N 0.125 120.441 120.200 0.193 0.000 2.136 67 E HA -0.338 4.012 4.350 0.000 0.000 0.202 67 E C 1.891 178.525 176.600 0.057 0.000 1.019 67 E CA 1.706 58.163 56.400 0.095 0.000 0.819 67 E CB -0.460 29.280 29.700 0.066 0.000 0.739 67 E HN 0.326 nan 8.360 nan 0.000 0.458 68 N N 0.604 119.326 118.700 0.037 0.000 2.018 68 N HA -0.207 4.533 4.740 0.000 0.000 0.196 68 N C 1.794 177.309 175.510 0.009 0.000 1.043 68 N CA 1.783 54.839 53.050 0.009 0.000 0.856 68 N CB -0.114 38.364 38.487 -0.014 0.000 1.042 68 N HN 0.072 nan 8.380 nan 0.000 0.423 69 M N -0.583 119.024 119.600 0.011 0.000 2.108 69 M HA -0.138 4.342 4.480 0.000 0.000 0.257 69 M C 2.205 178.520 176.300 0.025 0.000 1.071 69 M CA 1.934 57.241 55.300 0.013 0.000 1.093 69 M CB -0.768 31.847 32.600 0.026 0.000 1.345 69 M HN 0.395 nan 8.290 nan 0.000 0.403 70 G N -0.374 108.451 108.800 0.041 0.000 2.418 70 G HA2 -0.111 3.849 3.960 0.000 0.000 0.217 70 G HA3 -0.111 3.849 3.960 0.000 0.000 0.217 70 G C 1.558 176.469 174.900 0.018 0.000 1.158 70 G CA 0.921 46.040 45.100 0.032 0.000 0.771 70 G HN 0.575 nan 8.290 nan 0.000 0.545 71 A N -0.608 122.221 122.820 0.015 0.000 2.119 71 A HA 0.126 4.446 4.320 0.000 0.000 0.216 71 A C 2.283 179.866 177.584 -0.001 0.000 1.152 71 A CA 1.171 53.211 52.037 0.006 0.000 0.708 71 A CB -0.090 18.913 19.000 0.004 0.000 0.805 71 A HN 0.301 nan 8.150 nan 0.000 0.460 72 Q N -0.922 118.878 119.800 -0.001 0.000 2.331 72 Q HA 0.108 4.448 4.340 0.000 0.000 0.203 72 Q C 1.918 177.913 176.000 -0.008 0.000 0.944 72 Q CA 0.807 56.605 55.803 -0.008 0.000 0.892 72 Q CB -0.148 28.583 28.738 -0.011 0.000 0.983 72 Q HN 0.759 nan 8.270 nan 0.000 0.482 73 M N -0.105 119.495 119.600 -0.000 0.000 2.134 73 M HA -0.097 4.383 4.480 0.000 0.000 0.262 73 M C 2.154 178.453 176.300 -0.001 0.000 1.076 73 M CA 1.157 56.459 55.300 0.002 0.000 1.143 73 M CB -0.291 32.316 32.600 0.011 0.000 1.346 73 M HN 0.083 nan 8.290 nan 0.000 0.421 74 V N -0.793 119.123 119.914 0.002 0.000 3.241 74 V HA -0.160 3.960 4.120 0.000 0.000 0.269 74 V C 1.766 177.853 176.094 -0.012 0.000 1.151 74 V CA 1.702 64.003 62.300 0.002 0.000 1.158 74 V CB -0.798 31.030 31.823 0.007 0.000 0.764 74 V HN 0.451 nan 8.190 nan 0.000 0.508 75 K N 0.076 120.465 120.400 -0.018 0.000 2.242 75 K HA -0.013 4.307 4.320 0.000 0.000 0.200 75 K C 2.197 178.770 176.600 -0.046 0.000 1.050 75 K CA 0.884 57.153 56.287 -0.030 0.000 0.981 75 K CB -0.067 32.418 32.500 -0.025 0.000 0.795 75 K HN 0.688 nan 8.250 nan 0.000 0.477 76 E N 0.757 120.932 120.200 -0.041 0.000 2.017 76 E HA -0.179 4.171 4.350 0.000 0.000 0.193 76 E C 1.961 178.505 176.600 -0.092 0.000 0.997 76 E CA 1.833 58.201 56.400 -0.054 0.000 0.804 76 E CB -0.065 29.614 29.700 -0.034 0.000 0.757 76 E HN 0.192 nan 8.360 nan 0.000 0.448 77 V N -0.019 119.846 119.914 -0.083 0.000 2.237 77 V HA -0.136 3.984 4.120 0.000 0.000 0.245 77 V C 2.468 178.423 176.094 -0.231 0.000 1.046 77 V CA 2.193 64.406 62.300 -0.144 0.000 1.007 77 V CB -1.339 30.476 31.823 -0.013 0.000 0.638 77 V HN 0.331 nan 8.190 nan 0.000 0.445 78 A N 0.118 122.870 122.820 -0.112 0.000 2.093 78 A HA -0.256 4.064 4.320 0.000 0.000 0.222 78 A C 2.564 180.061 177.584 -0.144 0.000 1.162 78 A CA 2.664 54.644 52.037 -0.096 0.000 0.655 78 A CB -1.106 17.869 19.000 -0.042 0.000 0.805 78 A HN 0.853 nan 8.150 nan 0.000 0.461 79 S N -0.287 115.315 115.700 -0.162 0.000 2.345 79 S HA -0.157 4.313 4.470 0.000 0.000 0.219 79 S C 1.908 176.373 174.600 -0.224 0.000 1.031 79 S CA 1.471 59.581 58.200 -0.151 0.000 0.984 79 S CB -0.341 62.790 63.200 -0.116 0.000 0.874 79 S HN 0.624 nan 8.310 nan 0.000 0.451 80 K N 1.081 121.266 120.400 -0.358 0.000 2.366 80 K HA -0.114 4.206 4.320 0.000 0.000 0.202 80 K C 2.140 178.441 176.600 -0.498 0.000 1.045 80 K CA 1.086 57.077 56.287 -0.492 0.000 0.934 80 K CB -0.356 31.658 32.500 -0.809 0.000 0.746 80 K HN 0.491 nan 8.250 nan 0.000 0.470 81 A N 1.565 124.133 122.820 -0.419 0.000 1.874 81 A HA -0.160 4.160 4.320 0.000 0.000 0.214 81 A C 1.931 179.483 177.584 -0.054 0.000 1.189 81 A CA 1.517 53.491 52.037 -0.104 0.000 0.615 81 A CB -0.543 18.458 19.000 0.002 0.000 0.830 81 A HN 0.264 nan 8.150 nan 0.000 0.443 82 N N 0.293 118.940 118.700 -0.087 0.000 2.272 82 N HA -0.134 4.606 4.740 0.000 0.000 0.185 82 N C 0.802 176.257 175.510 -0.093 0.000 1.014 82 N CA 1.542 54.544 53.050 -0.080 0.000 0.870 82 N CB -0.130 38.307 38.487 -0.083 0.000 0.975 82 N HN 0.420 nan 8.380 nan 0.000 0.433 83 D N -1.153 119.192 120.400 -0.091 0.000 2.348 83 D HA 0.089 4.729 4.640 0.000 0.000 0.211 83 D C 1.342 177.624 176.300 -0.030 0.000 0.998 83 D CA 0.419 54.374 54.000 -0.074 0.000 0.873 83 D CB 0.148 40.902 40.800 -0.075 0.000 0.925 83 D HN 0.373 nan 8.370 nan 0.000 0.524 84 A N 0.524 123.346 122.820 0.002 0.000 1.924 84 A HA 0.370 4.691 4.320 0.000 0.000 0.211 84 A C 1.924 179.540 177.584 0.053 0.000 1.198 84 A CA 1.137 53.209 52.037 0.059 0.000 0.657 84 A CB 0.228 19.314 19.000 0.144 0.000 0.852 84 A HN 0.165 nan 8.150 nan 0.000 0.454 85 A N -2.390 120.450 122.820 0.034 0.000 2.508 85 A HA 0.479 4.799 4.320 0.000 0.000 0.250 85 A C 1.408 178.991 177.584 -0.002 0.000 1.208 85 A CA 0.986 53.045 52.037 0.038 0.000 0.960 85 A CB -0.212 18.814 19.000 0.044 0.000 1.099 85 A HN 1.869 nan 8.150 nan 0.000 0.542 86 G N -0.491 108.261 108.800 -0.079 0.000 2.160 86 G HA2 -0.109 3.851 3.960 0.000 0.000 0.244 86 G HA3 -0.109 3.851 3.960 0.000 0.000 0.244 86 G C -0.280 174.562 174.900 -0.097 0.000 1.022 86 G CA 0.748 45.739 45.100 -0.182 0.000 0.741 86 G HN 0.967 nan 8.290 nan 0.000 0.508 87 D N -3.272 117.096 120.400 -0.054 0.000 2.993 87 D HA 0.546 5.186 4.640 0.000 0.000 0.284 87 D C 0.699 176.992 176.300 -0.011 0.000 1.172 87 D CA 1.093 55.074 54.000 -0.031 0.000 0.729 87 D CB -0.280 40.510 40.800 -0.016 0.000 1.270 87 D HN 1.516 nan 8.370 nan 0.000 0.436 88 G N -0.250 108.546 108.800 -0.006 0.000 2.131 88 G HA2 -0.223 3.737 3.960 0.000 0.000 0.201 88 G HA3 -0.223 3.737 3.960 0.000 0.000 0.201 88 G C 0.770 175.672 174.900 0.003 0.000 1.000 88 G CA 0.694 45.799 45.100 0.008 0.000 0.680 88 G HN 0.483 nan 8.290 nan 0.000 0.514 89 T N 0.360 114.906 114.554 -0.015 0.000 2.781 89 T HA -0.011 4.340 4.350 0.000 0.000 0.252 89 T C 2.575 177.267 174.700 -0.012 0.000 1.039 89 T CA 2.037 64.123 62.100 -0.024 0.000 1.147 89 T CB -0.414 68.431 68.868 -0.038 0.000 0.865 89 T HN 0.340 nan 8.240 nan 0.000 0.423 90 T N 2.282 116.829 114.554 -0.011 0.000 2.778 90 T HA -0.136 4.214 4.350 0.000 0.000 0.269 90 T C 2.140 176.840 174.700 0.001 0.000 1.050 90 T CA 1.701 63.797 62.100 -0.007 0.000 1.137 90 T CB -0.675 68.189 68.868 -0.007 0.000 0.860 90 T HN 0.423 nan 8.240 nan 0.000 0.468 91 T N 1.978 116.535 114.554 0.005 0.000 2.701 91 T HA 0.042 4.392 4.350 0.000 0.000 0.263 91 T C 2.493 177.205 174.700 0.020 0.000 1.040 91 T CA 1.056 63.164 62.100 0.013 0.000 1.147 91 T CB -0.650 68.228 68.868 0.017 0.000 0.865 91 T HN 0.437 nan 8.240 nan 0.000 0.426 92 A N 1.566 124.401 122.820 0.027 0.000 1.940 92 A HA -0.164 4.156 4.320 0.000 0.000 0.219 92 A C 2.521 180.122 177.584 0.028 0.000 1.176 92 A CA 2.200 54.262 52.037 0.041 0.000 0.631 92 A CB -1.341 17.691 19.000 0.053 0.000 0.814 92 A HN 0.513 nan 8.150 nan 0.000 0.446 93 T N -0.871 113.690 114.554 0.013 0.000 2.668 93 T HA -0.131 4.219 4.350 0.000 0.000 0.262 93 T C 1.852 176.558 174.700 0.010 0.000 1.045 93 T CA 1.463 63.568 62.100 0.008 0.000 1.152 93 T CB -0.750 68.117 68.868 -0.001 0.000 0.864 93 T HN 0.246 nan 8.240 nan 0.000 0.419 94 V N 1.159 121.078 119.914 0.008 0.000 2.720 94 V HA -0.051 4.069 4.120 0.000 0.000 0.256 94 V C 2.116 178.217 176.094 0.011 0.000 1.082 94 V CA 1.349 63.653 62.300 0.008 0.000 1.101 94 V CB -0.605 31.221 31.823 0.006 0.000 0.693 94 V HN 0.457 nan 8.190 nan 0.000 0.479 95 L N -0.397 120.836 121.223 0.016 0.000 2.095 95 L HA 0.004 4.344 4.340 0.000 0.000 0.204 95 L C 2.752 179.633 176.870 0.019 0.000 1.080 95 L CA 1.448 56.299 54.840 0.018 0.000 0.759 95 L CB -0.729 41.345 42.059 0.025 0.000 0.914 95 L HN 0.421 nan 8.230 nan 0.000 0.439 96 A N -0.544 122.289 122.820 0.022 0.000 1.902 96 A HA -0.292 4.028 4.320 0.000 0.000 0.217 96 A C 2.203 179.796 177.584 0.016 0.000 1.181 96 A CA 1.830 53.880 52.037 0.022 0.000 0.623 96 A CB -0.615 18.400 19.000 0.025 0.000 0.818 96 A HN 0.497 nan 8.150 nan 0.000 0.443 97 Q N -0.446 119.361 119.800 0.012 0.000 2.096 97 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 97 Q C 2.181 178.186 176.000 0.008 0.000 0.982 97 Q CA 1.849 57.657 55.803 0.009 0.000 0.850 97 Q CB -0.359 28.383 28.738 0.007 0.000 0.901 97 Q HN 0.607 nan 8.270 nan 0.000 0.422 98 A N 0.856 123.681 122.820 0.009 0.000 1.877 98 A HA -0.167 4.153 4.320 0.000 0.000 0.216 98 A C 2.013 179.602 177.584 0.008 0.000 1.186 98 A CA 1.447 53.489 52.037 0.008 0.000 0.620 98 A CB -0.698 18.307 19.000 0.008 0.000 0.822 98 A HN 0.484 nan 8.150 nan 0.000 0.443 99 I N -0.252 120.324 120.570 0.011 0.000 2.113 99 I HA -0.276 3.894 4.170 0.000 0.000 0.238 99 I C 2.379 178.502 176.117 0.009 0.000 1.070 99 I CA 1.567 62.873 61.300 0.010 0.000 1.332 99 I CB -0.483 37.525 38.000 0.013 0.000 1.044 99 I HN 0.300 nan 8.210 nan 0.000 0.402 100 I N 0.442 121.018 120.570 0.011 0.000 2.194 100 I HA -0.317 3.853 4.170 0.000 0.000 0.246 100 I C 2.599 178.720 176.117 0.007 0.000 1.093 100 I CA 1.640 62.946 61.300 0.009 0.000 1.355 100 I CB -0.714 37.292 38.000 0.010 0.000 1.046 100 I HN 0.308 nan 8.210 nan 0.000 0.413 101 T N 0.315 114.873 114.554 0.006 0.000 2.595 101 T HA -0.182 4.168 4.350 0.000 0.000 0.264 101 T C 1.826 176.528 174.700 0.003 0.000 1.058 101 T CA 1.430 63.533 62.100 0.004 0.000 1.166 101 T CB -0.214 68.656 68.868 0.003 0.000 0.863 101 T HN 0.287 nan 8.240 nan 0.000 0.415 102 E N 0.648 120.850 120.200 0.004 0.000 2.153 102 E HA -0.038 4.312 4.350 0.000 0.000 0.194 102 E C 2.456 179.058 176.600 0.004 0.000 0.988 102 E CA 1.026 57.428 56.400 0.003 0.000 0.811 102 E CB -0.922 28.780 29.700 0.004 0.000 0.746 102 E HN 0.581 nan 8.360 nan 0.000 0.466 103 G N 1.472 110.274 108.800 0.005 0.000 2.459 103 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 103 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 103 G C 1.709 176.612 174.900 0.004 0.000 1.183 103 G CA 0.715 45.819 45.100 0.005 0.000 0.776 103 G HN 0.219 nan 8.290 nan 0.000 0.552 104 L N -0.089 121.136 121.223 0.004 0.000 2.131 104 L HA -0.044 4.296 4.340 0.000 0.000 0.210 104 L C 2.936 179.806 176.870 0.001 0.000 1.092 104 L CA 1.054 55.895 54.840 0.002 0.000 0.759 104 L CB -0.311 41.749 42.059 0.001 0.000 0.903 104 L HN 0.209 nan 8.230 nan 0.000 0.435 105 K N 0.260 120.661 120.400 0.001 0.000 2.025 105 K HA -0.131 4.189 4.320 0.000 0.000 0.207 105 K C 2.317 178.918 176.600 0.001 0.000 1.049 105 K CA 1.339 57.626 56.287 0.001 0.000 0.933 105 K CB -0.256 32.245 32.500 0.001 0.000 0.714 105 K HN 0.263 nan 8.250 nan 0.000 0.438 106 A N 1.089 123.911 122.820 0.002 0.000 1.908 106 A HA -0.161 4.159 4.320 0.000 0.000 0.218 106 A C 2.370 179.956 177.584 0.002 0.000 1.181 106 A CA 1.726 53.764 52.037 0.002 0.000 0.627 106 A CB -0.782 18.220 19.000 0.003 0.000 0.818 106 A HN 0.083 nan 8.150 nan 0.000 0.445 107 V N -0.216 119.700 119.914 0.003 0.000 2.237 107 V HA -0.238 3.882 4.120 0.000 0.000 0.245 107 V C 3.063 179.159 176.094 0.003 0.000 1.046 107 V CA 2.022 64.325 62.300 0.004 0.000 1.007 107 V CB -1.433 30.393 31.823 0.005 0.000 0.638 107 V HN 0.616 nan 8.190 nan 0.000 0.445 108 A N 0.162 122.982 122.820 0.001 0.000 1.978 108 A HA -0.113 4.207 4.320 0.000 0.000 0.220 108 A C 2.250 179.834 177.584 0.000 0.000 1.170 108 A CA 1.910 53.947 52.037 0.000 0.000 0.636 108 A CB -0.761 18.238 19.000 -0.001 0.000 0.810 108 A HN 0.651 nan 8.150 nan 0.000 0.448 109 A N -1.985 120.835 122.820 0.000 0.000 2.248 109 A HA 0.357 4.677 4.320 0.000 0.000 0.210 109 A C 1.902 179.486 177.584 0.000 0.000 1.174 109 A CA 1.397 53.435 52.037 0.000 0.000 0.750 109 A CB -0.972 18.029 19.000 0.000 0.000 0.780 109 A HN 1.886 nan 8.150 nan 0.000 0.478 110 G N -2.146 106.654 108.800 0.001 0.000 2.232 110 G HA2 -0.244 3.716 3.960 0.000 0.000 0.226 110 G HA3 -0.244 3.716 3.960 0.000 0.000 0.226 110 G C 0.352 175.253 174.900 0.002 0.000 0.996 110 G CA 0.148 45.249 45.100 0.001 0.000 0.626 110 G HN 0.381 nan 8.290 nan 0.000 0.509 111 M N 0.969 120.570 119.600 0.002 0.000 2.219 111 M HA 0.194 4.674 4.480 0.000 0.000 0.307 111 M C 0.871 177.173 176.300 0.004 0.000 1.116 111 M CA -0.170 55.132 55.300 0.003 0.000 1.181 111 M CB 0.177 32.778 32.600 0.003 0.000 1.410 111 M HN 0.300 nan 8.290 nan 0.000 0.454 112 N N 1.498 120.200 118.700 0.004 0.000 2.520 112 N HA 0.137 4.877 4.740 0.000 0.000 0.273 112 N C -2.320 173.194 175.510 0.006 0.000 1.155 112 N CA -1.339 51.714 53.050 0.005 0.000 0.967 112 N CB 1.407 39.896 38.487 0.004 0.000 1.092 112 N HN 0.223 nan 8.380 nan 0.000 0.457 113 P HA -0.003 nan 4.420 nan 0.000 0.212 113 P C 1.732 179.037 177.300 0.008 0.000 1.180 113 P CA 1.051 64.156 63.100 0.009 0.000 0.902 113 P CB 0.154 31.861 31.700 0.011 0.000 0.778 114 M N -0.316 119.289 119.600 0.009 0.000 2.331 114 M HA -0.188 4.292 4.480 0.000 0.000 0.260 114 M C 1.166 177.470 176.300 0.006 0.000 1.072 114 M CA 1.608 56.913 55.300 0.008 0.000 1.065 114 M CB -1.515 31.090 32.600 0.008 0.000 1.392 114 M HN 0.047 nan 8.290 nan 0.000 0.427 115 D N -0.393 120.010 120.400 0.005 0.000 2.197 115 D HA 0.056 4.696 4.640 0.000 0.000 0.212 115 D C 2.224 178.526 176.300 0.004 0.000 0.963 115 D CA 0.550 54.553 54.000 0.004 0.000 0.864 115 D CB 0.003 40.805 40.800 0.004 0.000 1.009 115 D HN 0.302 nan 8.370 nan 0.000 0.479 116 L N 1.303 122.529 121.223 0.005 0.000 2.089 116 L HA -0.242 4.098 4.340 0.000 0.000 0.213 116 L C 2.561 179.434 176.870 0.005 0.000 1.079 116 L CA 1.340 56.182 54.840 0.005 0.000 0.758 116 L CB -0.362 41.700 42.059 0.005 0.000 0.891 116 L HN 0.033 nan 8.230 nan 0.000 0.433 117 K N 0.398 120.802 120.400 0.005 0.000 2.002 117 K HA -0.234 4.086 4.320 0.000 0.000 0.209 117 K C 2.325 178.927 176.600 0.003 0.000 1.048 117 K CA 1.493 57.784 56.287 0.005 0.000 0.930 117 K CB -0.074 32.430 32.500 0.007 0.000 0.714 117 K HN 0.086 nan 8.250 nan 0.000 0.438 118 R N -0.243 120.259 120.500 0.003 0.000 2.120 118 R HA -0.095 4.245 4.340 0.000 0.000 0.234 118 R C 2.262 178.562 176.300 0.000 0.000 1.123 118 R CA 1.611 57.712 56.100 0.001 0.000 0.975 118 R CB -0.470 29.831 30.300 0.001 0.000 0.866 118 R HN 0.437 nan 8.270 nan 0.000 0.446 119 G N 0.262 109.063 108.800 0.001 0.000 2.422 119 G HA2 -0.195 3.765 3.960 0.000 0.000 0.218 119 G HA3 -0.195 3.765 3.960 0.000 0.000 0.218 119 G C 1.373 176.273 174.900 0.001 0.000 1.140 119 G CA 0.581 45.681 45.100 0.001 0.000 0.775 119 G HN 0.248 nan 8.290 nan 0.000 0.545 120 I N 0.675 121.246 120.570 0.001 0.000 2.277 120 I HA -0.061 4.109 4.170 0.000 0.000 0.243 120 I C 2.077 178.192 176.117 -0.002 0.000 1.094 120 I CA 0.839 62.140 61.300 0.001 0.000 1.393 120 I CB -0.132 37.870 38.000 0.003 0.000 1.078 120 I HN 0.013 nan 8.210 nan 0.000 0.417 121 D N 1.001 121.399 120.400 -0.003 0.000 2.221 121 D HA -0.219 4.421 4.640 0.000 0.000 0.204 121 D C 1.997 178.291 176.300 -0.009 0.000 0.982 121 D CA 1.198 55.194 54.000 -0.008 0.000 0.857 121 D CB -0.088 40.707 40.800 -0.008 0.000 0.934 121 D HN 0.319 nan 8.370 nan 0.000 0.475 122 K N 0.723 121.119 120.400 -0.005 0.000 2.007 122 K HA 0.001 4.321 4.320 0.000 0.000 0.206 122 K C 2.014 178.611 176.600 -0.005 0.000 1.047 122 K CA 1.053 57.337 56.287 -0.005 0.000 0.937 122 K CB -0.054 32.444 32.500 -0.003 0.000 0.718 122 K HN -0.035 nan 8.250 nan 0.000 0.438 123 A N 0.538 123.356 122.820 -0.003 0.000 2.131 123 A HA -0.090 4.230 4.320 0.000 0.000 0.220 123 A C 1.977 179.560 177.584 -0.003 0.000 1.158 123 A CA 1.449 53.485 52.037 -0.001 0.000 0.665 123 A CB -0.309 18.691 19.000 0.001 0.000 0.795 123 A HN 0.215 nan 8.150 nan 0.000 0.460 124 V N -1.999 117.911 119.914 -0.007 0.000 2.521 124 V HA -0.105 4.015 4.120 0.000 0.000 0.239 124 V C 2.547 178.632 176.094 -0.015 0.000 1.053 124 V CA 1.892 64.185 62.300 -0.011 0.000 1.073 124 V CB -0.867 30.946 31.823 -0.017 0.000 0.746 124 V HN 0.497 nan 8.190 nan 0.000 0.476 125 T N 0.829 115.373 114.554 -0.016 0.000 2.680 125 T HA -0.304 4.046 4.350 0.000 0.000 0.268 125 T C 1.904 176.597 174.700 -0.012 0.000 1.033 125 T CA 2.146 64.236 62.100 -0.017 0.000 1.152 125 T CB -0.361 68.498 68.868 -0.014 0.000 0.859 125 T HN 0.566 nan 8.240 nan 0.000 0.452 126 A N 1.311 124.126 122.820 -0.008 0.000 1.825 126 A HA 0.258 4.578 4.320 0.000 0.000 0.214 126 A C 2.708 180.291 177.584 -0.003 0.000 1.206 126 A CA 1.894 53.928 52.037 -0.004 0.000 0.609 126 A CB -1.476 17.524 19.000 -0.001 0.000 0.851 126 A HN 0.509 nan 8.150 nan 0.000 0.445 127 A N -0.583 122.236 122.820 -0.002 0.000 1.929 127 A HA -0.203 4.117 4.320 0.000 0.000 0.221 127 A C 2.245 179.829 177.584 -0.001 0.000 1.211 127 A CA 2.422 54.460 52.037 0.001 0.000 0.657 127 A CB -1.363 17.638 19.000 0.001 0.000 0.827 127 A HN 0.569 nan 8.150 nan 0.000 0.462 128 V N -0.000 119.909 119.914 -0.007 0.000 2.324 128 V HA -0.262 3.858 4.120 0.000 0.000 0.250 128 V C 2.647 178.738 176.094 -0.005 0.000 1.060 128 V CA 2.354 64.649 62.300 -0.009 0.000 1.042 128 V CB -0.671 31.141 31.823 -0.019 0.000 0.650 128 V HN 0.576 nan 8.190 nan 0.000 0.450 129 E N -0.163 120.035 120.200 -0.004 0.000 2.028 129 E HA -0.192 4.158 4.350 0.000 0.000 0.190 129 E C 2.128 178.730 176.600 0.003 0.000 0.984 129 E CA 0.934 57.333 56.400 -0.001 0.000 0.800 129 E CB -0.339 29.360 29.700 -0.001 0.000 0.758 129 E HN 0.542 nan 8.360 nan 0.000 0.448 130 E N 0.342 120.545 120.200 0.004 0.000 2.515 130 E HA -0.080 4.270 4.350 0.000 0.000 0.201 130 E C 1.403 178.010 176.600 0.011 0.000 1.071 130 E CA 0.056 56.460 56.400 0.008 0.000 0.880 130 E CB -0.055 29.650 29.700 0.009 0.000 0.828 130 E HN 0.035 nan 8.360 nan 0.000 0.540 131 L N -0.584 120.645 121.223 0.008 0.000 2.537 131 L HA 0.186 4.526 4.340 0.000 0.000 0.224 131 L C 1.366 178.243 176.870 0.011 0.000 1.065 131 L CA 0.814 55.660 54.840 0.011 0.000 0.860 131 L CB 0.232 42.296 42.059 0.008 0.000 1.086 131 L HN -0.127 nan 8.230 nan 0.000 0.482 132 K N -0.481 119.924 120.400 0.008 0.000 2.366 132 K HA 0.098 4.418 4.320 0.000 0.000 0.198 132 K C 1.872 178.478 176.600 0.010 0.000 1.044 132 K CA 0.830 57.121 56.287 0.008 0.000 0.973 132 K CB -0.003 32.500 32.500 0.005 0.000 0.767 132 K HN 0.365 nan 8.250 nan 0.000 0.475 133 A N 1.060 123.887 122.820 0.011 0.000 1.975 133 A HA -0.005 4.315 4.320 0.000 0.000 0.215 133 A C 1.936 179.530 177.584 0.015 0.000 1.170 133 A CA 0.627 52.671 52.037 0.012 0.000 0.656 133 A CB -0.256 18.750 19.000 0.011 0.000 0.821 133 A HN 0.215 nan 8.150 nan 0.000 0.449 134 L N -0.140 121.093 121.223 0.017 0.000 2.313 134 L HA 0.018 4.358 4.340 0.000 0.000 0.214 134 L C 1.447 178.330 176.870 0.021 0.000 1.119 134 L CA 0.351 55.204 54.840 0.022 0.000 0.809 134 L CB -0.094 41.981 42.059 0.025 0.000 0.933 134 L HN 0.419 nan 8.230 nan 0.000 0.449 135 S N -0.526 115.184 115.700 0.017 0.000 2.558 135 S HA 0.017 4.487 4.470 0.000 0.000 0.287 135 S C -0.046 174.564 174.600 0.016 0.000 1.321 135 S CA -0.354 57.856 58.200 0.016 0.000 1.048 135 S CB 0.794 64.003 63.200 0.014 0.000 0.844 135 S HN 0.043 nan 8.310 nan 0.000 0.512 136 V N 7.683 127.607 119.914 0.016 0.000 2.266 136 V HA 0.317 4.437 4.120 0.000 0.000 0.266 136 V C -2.069 174.032 176.094 0.013 0.000 1.036 136 V CA -1.544 60.766 62.300 0.015 0.000 0.828 136 V CB 0.343 32.176 31.823 0.017 0.000 1.081 136 V HN 0.804 nan 8.190 nan 0.000 0.449 137 P HA 0.013 nan 4.420 nan 0.000 0.269 137 P C -0.392 176.914 177.300 0.010 0.000 1.200 137 P CA 0.248 63.355 63.100 0.011 0.000 0.779 137 P CB 0.189 31.895 31.700 0.010 0.000 0.841 138 C N -0.443 118.863 119.300 0.009 0.000 2.887 138 C HA 0.547 5.007 4.460 0.000 0.000 0.379 138 C C 0.678 175.672 174.990 0.007 0.000 1.064 138 C CA -0.265 58.758 59.018 0.008 0.000 1.282 138 C CB 0.297 28.042 27.740 0.008 0.000 1.749 138 C HN 0.461 nan 8.230 nan 0.000 0.489 139 S N 0.953 116.657 115.700 0.006 0.000 2.575 139 S HA 0.134 4.604 4.470 0.000 0.000 0.230 139 S C 0.339 174.941 174.600 0.003 0.000 1.062 139 S CA 0.240 58.443 58.200 0.004 0.000 0.913 139 S CB 0.016 63.219 63.200 0.005 0.000 0.837 139 S HN 0.982 nan 8.310 nan 0.000 0.487 140 D N 2.335 122.736 120.400 0.003 0.000 2.350 140 D HA 0.073 4.714 4.640 0.000 0.000 0.249 140 D C 0.761 177.062 176.300 0.002 0.000 1.119 140 D CA 0.018 54.019 54.000 0.002 0.000 0.886 140 D CB 1.102 41.903 40.800 0.003 0.000 1.195 140 D HN 0.160 nan 8.370 nan 0.000 0.437 141 S N 1.270 116.971 115.700 0.000 0.000 2.626 141 S HA -0.184 4.286 4.470 0.000 0.000 0.245 141 S C 1.307 175.907 174.600 -0.000 0.000 0.973 141 S CA 0.243 58.443 58.200 -0.001 0.000 0.959 141 S CB -0.176 63.023 63.200 -0.002 0.000 0.762 141 S HN 0.487 nan 8.310 nan 0.000 0.539 142 K N 1.206 121.607 120.400 0.001 0.000 2.262 142 K HA 0.290 4.610 4.320 0.000 0.000 0.200 142 K C 1.839 178.440 176.600 0.002 0.000 1.049 142 K CA 0.983 57.271 56.287 0.001 0.000 0.979 142 K CB -0.320 32.181 32.500 0.002 0.000 0.773 142 K HN 0.449 nan 8.250 nan 0.000 0.474 143 A N 0.904 123.726 122.820 0.002 0.000 1.924 143 A HA 0.133 4.454 4.320 0.000 0.000 0.211 143 A C 2.070 179.655 177.584 0.003 0.000 1.198 143 A CA 0.164 52.203 52.037 0.003 0.000 0.657 143 A CB -0.309 18.693 19.000 0.005 0.000 0.852 143 A HN 0.197 nan 8.150 nan 0.000 0.454 144 I N 0.368 120.939 120.570 0.002 0.000 2.300 144 I HA -0.363 3.807 4.170 0.000 0.000 0.252 144 I C 2.717 178.834 176.117 -0.000 0.000 1.119 144 I CA 1.293 62.594 61.300 0.001 0.000 1.384 144 I CB -0.190 37.809 38.000 -0.002 0.000 1.062 144 I HN 0.395 nan 8.210 nan 0.000 0.426 145 A N -0.388 122.432 122.820 -0.000 0.000 1.975 145 A HA -0.171 4.149 4.320 0.000 0.000 0.215 145 A C 2.246 179.830 177.584 0.000 0.000 1.170 145 A CA 0.919 52.956 52.037 -0.001 0.000 0.656 145 A CB -0.318 18.681 19.000 -0.001 0.000 0.821 145 A HN 0.473 nan 8.150 nan 0.000 0.449 146 Q N -0.448 119.353 119.800 0.001 0.000 2.398 146 Q HA 0.041 4.381 4.340 0.000 0.000 0.204 146 Q C 1.418 177.419 176.000 0.002 0.000 0.932 146 Q CA 0.876 56.680 55.803 0.001 0.000 0.916 146 Q CB 0.076 28.815 28.738 0.002 0.000 1.024 146 Q HN 0.374 nan 8.270 nan 0.000 0.504 147 V N -0.360 119.556 119.914 0.003 0.000 2.379 147 V HA -0.059 4.061 4.120 0.000 0.000 0.243 147 V C 2.196 178.294 176.094 0.006 0.000 1.035 147 V CA 1.737 64.041 62.300 0.005 0.000 1.035 147 V CB -0.766 31.061 31.823 0.007 0.000 0.673 147 V HN 0.570 nan 8.190 nan 0.000 0.457 148 G N -0.211 108.592 108.800 0.005 0.000 2.442 148 G HA2 -0.247 3.713 3.960 0.000 0.000 0.219 148 G HA3 -0.247 3.713 3.960 0.000 0.000 0.219 148 G C 1.684 176.586 174.900 0.004 0.000 1.141 148 G CA 1.663 46.766 45.100 0.005 0.000 0.763 148 G HN 0.453 nan 8.290 nan 0.000 0.554 149 T N 1.457 116.012 114.554 0.002 0.000 2.622 149 T HA -0.087 4.263 4.350 0.000 0.000 0.266 149 T C 2.372 177.072 174.700 -0.000 0.000 1.047 149 T CA 1.165 63.266 62.100 0.000 0.000 1.159 149 T CB -0.231 68.636 68.868 -0.001 0.000 0.863 149 T HN 0.247 nan 8.240 nan 0.000 0.422 150 I N 1.121 121.691 120.570 -0.000 0.000 2.423 150 I HA -0.106 4.064 4.170 0.000 0.000 0.254 150 I C 1.645 177.761 176.117 -0.001 0.000 1.151 150 I CA 0.868 62.167 61.300 -0.002 0.000 1.421 150 I CB -0.253 37.746 38.000 -0.003 0.000 1.079 150 I HN 0.101 nan 8.210 nan 0.000 0.431 151 S N 0.791 116.493 115.700 0.004 0.000 2.768 151 S HA 0.418 4.888 4.470 0.000 0.000 0.246 151 S C 0.674 175.279 174.600 0.008 0.000 1.006 151 S CA 0.277 58.481 58.200 0.007 0.000 1.075 151 S CB 0.029 63.237 63.200 0.014 0.000 0.786 151 S HN 0.461 nan 8.310 nan 0.000 0.468 152 A N 1.368 124.190 122.820 0.003 0.000 3.241 152 A HA 0.463 4.783 4.320 0.000 0.000 0.198 152 A C 0.267 177.850 177.584 -0.001 0.000 1.003 152 A CA -0.772 51.267 52.037 0.003 0.000 1.134 152 A CB -0.509 18.493 19.000 0.004 0.000 1.289 152 A HN 0.291 nan 8.150 nan 0.000 0.623 153 N N 0.491 119.189 118.700 -0.003 0.000 2.708 153 N HA -0.188 4.552 4.740 0.000 0.000 0.249 153 N C 0.157 175.664 175.510 -0.006 0.000 1.097 153 N CA 1.350 54.396 53.050 -0.006 0.000 0.710 153 N CB -1.530 36.954 38.487 -0.006 0.000 1.032 153 N HN 0.928 nan 8.380 nan 0.000 0.551 154 S N -1.259 114.437 115.700 -0.006 0.000 3.766 154 S HA -0.201 4.269 4.470 0.000 0.000 0.416 154 S C -0.543 174.055 174.600 -0.004 0.000 0.902 154 S CA 0.730 58.927 58.200 -0.006 0.000 1.283 154 S CB -0.595 62.600 63.200 -0.008 0.000 0.891 154 S HN 0.571 nan 8.310 nan 0.000 0.556 155 D N 0.684 121.082 120.400 -0.003 0.000 2.462 155 D HA 0.381 5.021 4.640 0.000 0.000 0.249 155 D C 0.956 177.254 176.300 -0.002 0.000 1.117 155 D CA -0.600 53.399 54.000 -0.002 0.000 0.900 155 D CB 0.704 41.503 40.800 -0.002 0.000 1.039 155 D HN 0.286 nan 8.370 nan 0.000 0.516 156 E N 0.488 120.687 120.200 -0.002 0.000 2.233 156 E HA -0.175 4.175 4.350 0.000 0.000 0.199 156 E C 1.631 178.230 176.600 -0.002 0.000 1.004 156 E CA 1.465 57.864 56.400 -0.002 0.000 0.819 156 E CB 0.098 29.796 29.700 -0.002 0.000 0.738 156 E HN 0.405 nan 8.360 nan 0.000 0.478 157 T N -0.218 114.335 114.554 -0.002 0.000 2.821 157 T HA -0.107 4.243 4.350 0.000 0.000 0.267 157 T C 1.928 176.626 174.700 -0.003 0.000 1.046 157 T CA 1.068 63.166 62.100 -0.002 0.000 1.139 157 T CB -0.190 68.676 68.868 -0.002 0.000 0.871 157 T HN -0.004 nan 8.240 nan 0.000 0.454 158 V N 1.498 121.411 119.914 -0.002 0.000 2.223 158 V HA -0.122 3.998 4.120 0.000 0.000 0.244 158 V C 2.904 178.996 176.094 -0.003 0.000 1.045 158 V CA 2.153 64.452 62.300 -0.002 0.000 1.000 158 V CB -1.465 30.358 31.823 0.000 0.000 0.635 158 V HN 0.565 nan 8.190 nan 0.000 0.445 159 G N -0.430 108.369 108.800 -0.002 0.000 2.476 159 G HA2 -0.377 3.583 3.960 0.000 0.000 0.218 159 G HA3 -0.377 3.583 3.960 0.000 0.000 0.218 159 G C 1.649 176.547 174.900 -0.003 0.000 1.164 159 G CA 1.370 46.469 45.100 -0.002 0.000 0.768 159 G HN 0.518 nan 8.290 nan 0.000 0.560 160 K N -0.071 120.327 120.400 -0.003 0.000 2.032 160 K HA 0.020 4.340 4.320 0.000 0.000 0.209 160 K C 2.476 179.073 176.600 -0.005 0.000 1.048 160 K CA 1.130 57.415 56.287 -0.004 0.000 0.927 160 K CB -0.305 32.193 32.500 -0.003 0.000 0.712 160 K HN 0.360 nan 8.250 nan 0.000 0.441 161 L N 1.022 122.242 121.223 -0.005 0.000 2.017 161 L HA -0.184 4.156 4.340 0.000 0.000 0.208 161 L C 2.358 179.222 176.870 -0.009 0.000 1.073 161 L CA 1.188 56.024 54.840 -0.007 0.000 0.745 161 L CB -0.192 41.863 42.059 -0.007 0.000 0.894 161 L HN 0.291 nan 8.230 nan 0.000 0.432 162 I N -0.433 120.131 120.570 -0.010 0.000 2.127 162 I HA -0.352 3.818 4.170 0.000 0.000 0.241 162 I C 2.769 178.879 176.117 -0.012 0.000 1.075 162 I CA 1.318 62.610 61.300 -0.013 0.000 1.334 162 I CB -0.572 37.420 38.000 -0.012 0.000 1.040 162 I HN 0.317 nan 8.210 nan 0.000 0.405 163 A N 0.616 123.430 122.820 -0.009 0.000 1.873 163 A HA -0.275 4.045 4.320 0.000 0.000 0.218 163 A C 2.133 179.713 177.584 -0.008 0.000 1.193 163 A CA 2.041 54.074 52.037 -0.007 0.000 0.629 163 A CB -0.862 18.135 19.000 -0.005 0.000 0.826 163 A HN 0.510 nan 8.150 nan 0.000 0.447 164 E N -0.475 119.721 120.200 -0.007 0.000 2.396 164 E HA -0.083 4.267 4.350 0.000 0.000 0.200 164 E C 1.964 178.558 176.600 -0.009 0.000 1.023 164 E CA 0.624 57.020 56.400 -0.007 0.000 0.857 164 E CB -0.226 29.470 29.700 -0.006 0.000 0.775 164 E HN 0.669 nan 8.360 nan 0.000 0.525 165 A N 0.843 123.656 122.820 -0.011 0.000 1.901 165 A HA 0.030 4.350 4.320 0.000 0.000 0.210 165 A C 2.036 179.611 177.584 -0.015 0.000 1.208 165 A CA 0.210 52.238 52.037 -0.014 0.000 0.644 165 A CB -0.127 18.862 19.000 -0.018 0.000 0.863 165 A HN 0.074 nan 8.150 nan 0.000 0.454 166 M N -0.000 119.591 119.600 -0.015 0.000 2.530 166 M HA -0.151 4.329 4.480 0.000 0.000 0.261 166 M C 1.442 177.736 176.300 -0.010 0.000 1.067 166 M CA 1.620 56.911 55.300 -0.014 0.000 1.071 166 M CB -0.472 32.120 32.600 -0.013 0.000 1.405 166 M HN 0.547 nan 8.290 nan 0.000 0.478 167 D N 0.711 121.106 120.400 -0.009 0.000 2.146 167 D HA -0.069 4.571 4.640 0.000 0.000 0.209 167 D C 1.651 177.947 176.300 -0.007 0.000 0.973 167 D CA 1.157 55.153 54.000 -0.007 0.000 0.860 167 D CB 0.189 40.985 40.800 -0.006 0.000 1.015 167 D HN 0.139 nan 8.370 nan 0.000 0.465 168 K N -0.417 119.979 120.400 -0.008 0.000 2.442 168 K HA -0.036 4.284 4.320 0.000 0.000 0.198 168 K C 1.252 177.848 176.600 -0.008 0.000 1.044 168 K CA 0.729 57.012 56.287 -0.007 0.000 0.948 168 K CB 0.514 33.009 32.500 -0.008 0.000 0.762 168 K HN 0.190 nan 8.250 nan 0.000 0.472 169 V N -1.241 118.667 119.914 -0.009 0.000 3.539 169 V HA 0.219 4.340 4.120 0.000 0.000 0.262 169 V C 0.548 176.637 176.094 -0.008 0.000 1.381 169 V CA 0.066 62.361 62.300 -0.009 0.000 1.060 169 V CB 0.663 32.479 31.823 -0.012 0.000 0.842 169 V HN 0.393 nan 8.190 nan 0.000 0.445 170 G N 1.470 110.265 108.800 -0.008 0.000 2.719 170 G HA2 -0.166 3.795 3.960 0.000 0.000 0.686 170 G HA3 -0.166 3.795 3.960 0.000 0.000 0.686 170 G C 0.098 174.993 174.900 -0.008 0.000 1.201 170 G CA -0.038 45.058 45.100 -0.007 0.000 0.768 170 G HN 0.243 nan 8.290 nan 0.000 0.629 171 K N 0.188 120.584 120.400 -0.006 0.000 2.242 171 K HA -0.166 4.154 4.320 0.000 0.000 0.206 171 K C 1.483 178.079 176.600 -0.007 0.000 1.045 171 K CA 1.832 58.115 56.287 -0.006 0.000 0.930 171 K CB 0.049 32.547 32.500 -0.002 0.000 0.726 171 K HN 0.516 nan 8.250 nan 0.000 0.462 172 E N 0.245 120.442 120.200 -0.005 0.000 2.476 172 E HA 0.086 4.436 4.350 0.000 0.000 0.196 172 E C 0.812 177.408 176.600 -0.006 0.000 1.029 172 E CA 0.032 56.430 56.400 -0.003 0.000 0.896 172 E CB 0.759 30.459 29.700 0.001 0.000 1.012 172 E HN 0.317 nan 8.360 nan 0.000 0.475 173 G N 0.903 109.697 108.800 -0.010 0.000 2.525 173 G HA2 0.396 4.356 3.960 0.000 0.000 0.287 173 G HA3 0.396 4.356 3.960 0.000 0.000 0.287 173 G C 0.060 174.948 174.900 -0.020 0.000 1.350 173 G CA -0.415 44.678 45.100 -0.012 0.000 1.039 173 G HN 0.015 nan 8.290 nan 0.000 0.513 174 V N -1.820 118.082 119.914 -0.021 0.000 2.547 174 V HA 0.752 4.873 4.120 0.000 0.000 0.299 174 V C -0.283 175.789 176.094 -0.036 0.000 1.040 174 V CA -0.910 61.372 62.300 -0.031 0.000 0.913 174 V CB 1.302 33.110 31.823 -0.025 0.000 0.992 174 V HN 0.532 nan 8.190 nan 0.000 0.449 175 I N 2.703 123.242 120.570 -0.052 0.000 2.534 175 I HA 0.514 4.684 4.170 0.000 0.000 0.288 175 I C -0.197 175.885 176.117 -0.058 0.000 1.077 175 I CA -0.161 61.108 61.300 -0.052 0.000 1.051 175 I CB 2.520 40.484 38.000 -0.060 0.000 1.234 175 I HN 0.713 nan 8.210 nan 0.000 0.425 176 T N 5.029 119.558 114.554 -0.042 0.000 2.918 176 T HA 0.632 4.982 4.350 0.000 0.000 0.286 176 T C -0.454 174.228 174.700 -0.029 0.000 1.026 176 T CA -0.591 61.487 62.100 -0.037 0.000 1.031 176 T CB 2.427 71.279 68.868 -0.028 0.000 1.046 176 T HN 0.209 nan 8.240 nan 0.000 0.479 177 V N 2.653 122.553 119.914 -0.023 0.000 2.443 177 V HA 0.469 4.589 4.120 0.000 0.000 0.293 177 V C -0.194 175.895 176.094 -0.009 0.000 1.021 177 V CA -0.774 61.517 62.300 -0.015 0.000 0.848 177 V CB 1.462 33.278 31.823 -0.012 0.000 0.998 177 V HN 0.873 nan 8.190 nan 0.000 0.424 178 E N 1.980 122.175 120.200 -0.008 0.000 2.412 178 E HA 0.459 4.809 4.350 0.000 0.000 0.255 178 E C -1.236 175.362 176.600 -0.004 0.000 0.933 178 E CA -1.074 55.323 56.400 -0.006 0.000 0.823 178 E CB 1.521 31.216 29.700 -0.008 0.000 1.352 178 E HN 0.606 nan 8.360 nan 0.000 0.406 179 D N 0.653 121.051 120.400 -0.003 0.000 2.345 179 D HA 0.200 4.840 4.640 0.000 0.000 0.247 179 D C -0.080 176.217 176.300 -0.004 0.000 1.108 179 D CA 0.082 54.081 54.000 -0.003 0.000 0.894 179 D CB 1.330 42.129 40.800 -0.002 0.000 1.203 179 D HN 0.437 nan 8.370 nan 0.000 0.430 180 G N 0.055 108.853 108.800 -0.004 0.000 2.507 180 G HA2 0.294 4.254 3.960 0.000 0.000 0.271 180 G HA3 0.294 4.254 3.960 0.000 0.000 0.271 180 G C 0.358 175.256 174.900 -0.004 0.000 1.189 180 G CA -0.532 44.565 45.100 -0.004 0.000 0.859 180 G HN 0.408 nan 8.290 nan 0.000 0.542 181 T N -1.077 113.474 114.554 -0.004 0.000 3.540 181 T HA 0.577 4.927 4.350 0.000 0.000 0.269 181 T C 0.967 175.665 174.700 -0.004 0.000 1.481 181 T CA 0.300 62.397 62.100 -0.004 0.000 1.224 181 T CB -0.204 68.661 68.868 -0.005 0.000 1.192 181 T HN 2.019 nan 8.240 nan 0.000 0.756 182 G N 1.804 110.602 108.800 -0.003 0.000 2.378 182 G HA2 -0.010 3.950 3.960 0.000 0.000 0.198 182 G HA3 -0.010 3.950 3.960 0.000 0.000 0.198 182 G C -1.123 173.775 174.900 -0.003 0.000 1.223 182 G CA -0.596 44.502 45.100 -0.003 0.000 1.088 182 G HN 0.620 nan 8.290 nan 0.000 0.530 183 L N 1.136 122.357 121.223 -0.002 0.000 2.439 183 L HA 0.682 5.022 4.340 0.000 0.000 0.261 183 L C 0.657 177.525 176.870 -0.003 0.000 1.153 183 L CA 0.603 55.441 54.840 -0.002 0.000 0.808 183 L CB 0.513 42.571 42.059 -0.002 0.000 1.126 183 L HN 1.086 nan 8.230 nan 0.000 0.460 184 Q N 2.137 121.935 119.800 -0.003 0.000 3.149 184 Q HA -0.111 4.230 4.340 0.000 0.000 0.055 184 Q C -1.309 174.689 176.000 -0.004 0.000 1.662 184 Q CA 0.367 56.168 55.803 -0.003 0.000 0.281 184 Q CB -0.247 28.489 28.738 -0.003 0.000 0.584 184 Q HN 0.649 nan 8.270 nan 0.000 0.322 185 D N 3.594 123.991 120.400 -0.004 0.000 2.304 185 D HA 0.190 4.830 4.640 0.000 0.000 0.250 185 D C -0.002 176.295 176.300 -0.005 0.000 1.107 185 D CA 0.132 54.129 54.000 -0.005 0.000 0.885 185 D CB 0.883 41.680 40.800 -0.005 0.000 1.192 185 D HN 0.289 nan 8.370 nan 0.000 0.436 186 E N 0.477 120.673 120.200 -0.006 0.000 2.221 186 E HA 0.520 4.870 4.350 0.000 0.000 0.268 186 E C -0.789 175.807 176.600 -0.008 0.000 0.933 186 E CA -1.025 55.371 56.400 -0.006 0.000 0.809 186 E CB 2.262 31.959 29.700 -0.006 0.000 1.190 186 E HN 0.095 nan 8.360 nan 0.000 0.406 187 L N 2.539 123.758 121.223 -0.008 0.000 2.563 187 L HA 0.376 4.716 4.340 0.000 0.000 0.259 187 L C -1.726 175.139 176.870 -0.009 0.000 1.034 187 L CA -0.226 54.609 54.840 -0.009 0.000 0.899 187 L CB 0.894 42.948 42.059 -0.009 0.000 1.159 187 L HN 0.416 nan 8.230 nan 0.000 0.456 188 D N 2.530 122.925 120.400 -0.009 0.000 2.449 188 D HA 0.671 5.311 4.640 0.000 0.000 0.250 188 D C -0.875 175.420 176.300 -0.009 0.000 1.050 188 D CA -0.348 53.647 54.000 -0.009 0.000 1.024 188 D CB 2.813 43.608 40.800 -0.008 0.000 1.218 188 D HN 0.237 nan 8.370 nan 0.000 0.566 189 V N 0.902 120.812 119.914 -0.008 0.000 2.531 189 V HA 0.441 4.561 4.120 0.000 0.000 0.301 189 V C 0.124 176.214 176.094 -0.007 0.000 1.034 189 V CA -0.717 61.578 62.300 -0.008 0.000 0.865 189 V CB 1.689 33.508 31.823 -0.007 0.000 0.995 189 V HN 0.473 nan 8.190 nan 0.000 0.424 190 V N 0.805 120.714 119.914 -0.007 0.000 3.126 190 V HA 0.703 4.823 4.120 0.000 0.000 0.314 190 V C -0.307 175.785 176.094 -0.003 0.000 1.138 190 V CA -1.079 61.218 62.300 -0.005 0.000 1.034 190 V CB 2.078 33.896 31.823 -0.007 0.000 1.075 190 V HN 0.695 nan 8.190 nan 0.000 0.442 191 E N 1.442 121.641 120.200 -0.001 0.000 2.417 191 E HA 0.543 4.893 4.350 0.000 0.000 0.261 191 E C 0.304 176.908 176.600 0.007 0.000 1.000 191 E CA 1.073 57.475 56.400 0.003 0.000 0.919 191 E CB 0.678 30.380 29.700 0.003 0.000 0.955 191 E HN 1.289 nan 8.360 nan 0.000 0.455 192 G N 1.443 110.251 108.800 0.012 0.000 2.328 192 G HA2 0.446 4.406 3.960 0.000 0.000 0.295 192 G HA3 0.446 4.406 3.960 0.000 0.000 0.295 192 G C -0.876 174.042 174.900 0.030 0.000 1.413 192 G CA -0.376 44.736 45.100 0.021 0.000 0.817 192 G HN 0.430 nan 8.290 nan 0.000 0.546 193 M N -1.373 118.256 119.600 0.049 0.000 3.213 193 M HA 0.871 5.351 4.480 0.000 0.000 0.278 193 M C -1.572 174.768 176.300 0.066 0.000 1.332 193 M CA -0.978 54.361 55.300 0.065 0.000 0.810 193 M CB 2.338 34.997 32.600 0.099 0.000 1.676 193 M HN 0.759 nan 8.290 nan 0.000 0.463 194 Q N 1.570 121.418 119.800 0.081 0.000 2.296 194 Q HA 0.500 4.840 4.340 0.000 0.000 0.254 194 Q C -2.278 173.767 176.000 0.074 0.000 0.936 194 Q CA -0.674 55.126 55.803 -0.005 0.000 0.834 194 Q CB 1.780 30.482 28.738 -0.060 0.000 1.340 194 Q HN 0.689 nan 8.270 nan 0.000 0.428 195 F N 0.412 120.360 119.950 -0.004 0.000 2.450 195 F HA 0.557 5.084 4.527 0.000 0.000 0.328 195 F C 0.099 175.897 175.800 -0.004 0.000 1.068 195 F CA -1.218 56.782 58.000 -0.001 0.000 1.007 195 F CB 0.682 39.684 39.000 0.002 0.000 1.251 195 F HN 0.326 nan 8.300 nan 0.000 0.492 196 D N 2.043 122.547 120.400 0.173 0.000 2.994 196 D HA 0.121 4.761 4.640 0.000 0.000 0.240 196 D C -0.163 176.181 176.300 0.074 0.000 1.195 196 D CA 0.166 54.204 54.000 0.063 0.000 0.957 196 D CB -0.121 40.719 40.800 0.066 0.000 1.105 196 D HN 0.220 nan 8.370 nan 0.000 0.477 197 R N 0.353 120.880 120.500 0.044 0.000 2.480 197 R HA 0.517 4.857 4.340 0.000 0.000 0.306 197 R C 0.487 176.733 176.300 -0.090 0.000 0.958 197 R CA -0.701 55.436 56.100 0.061 0.000 0.861 197 R CB 2.074 32.550 30.300 0.293 0.000 1.171 197 R HN 0.136 nan 8.270 nan 0.000 0.445 198 G N 1.413 110.135 108.800 -0.129 0.000 2.535 198 G HA2 0.353 4.313 3.960 0.000 0.000 0.303 198 G HA3 0.353 4.313 3.960 0.000 0.000 0.303 198 G C -0.588 174.185 174.900 -0.213 0.000 1.237 198 G CA -0.455 44.464 45.100 -0.302 0.000 0.986 198 G HN 0.463 nan 8.290 nan 0.000 0.494 199 Y N -1.158 119.149 120.300 0.013 0.000 2.457 199 Y HA 0.308 4.858 4.550 0.000 0.000 0.341 199 Y C 1.397 177.347 175.900 0.082 0.000 1.240 199 Y CA -1.182 56.932 58.100 0.024 0.000 1.437 199 Y CB 0.351 38.856 38.460 0.074 0.000 1.328 199 Y HN 0.207 nan 8.280 nan 0.000 0.588 200 L N 1.005 122.420 121.223 0.321 0.000 2.291 200 L HA -0.017 4.323 4.340 0.000 0.000 0.214 200 L C 0.832 177.959 176.870 0.429 0.000 1.120 200 L CA 1.494 56.520 54.840 0.309 0.000 0.799 200 L CB -0.191 42.018 42.059 0.249 0.000 0.925 200 L HN 0.818 nan 8.230 nan 0.000 0.446 201 S N -2.518 113.545 115.700 0.606 0.000 2.543 201 S HA 0.400 4.870 4.470 0.000 0.000 0.274 201 S C -2.585 172.095 174.600 0.134 0.000 1.149 201 S CA -1.090 57.346 58.200 0.392 0.000 0.866 201 S CB 1.812 65.174 63.200 0.270 0.000 1.111 201 S HN -0.279 nan 8.310 nan 0.000 0.457 202 P HA 0.357 nan 4.420 nan 0.000 0.335 202 P C 0.089 177.228 177.300 -0.268 0.000 1.379 202 P CA 0.485 63.263 63.100 -0.536 0.000 0.794 202 P CB -0.007 31.396 31.700 -0.495 0.000 1.849 203 Y N -4.524 115.626 120.300 -0.251 0.000 2.769 203 Y HA -0.329 4.221 4.550 0.000 0.000 0.487 203 Y C 1.971 177.755 175.900 -0.194 0.000 1.131 203 Y CA 1.675 59.633 58.100 -0.237 0.000 2.888 203 Y CB -2.963 35.300 38.460 -0.327 0.000 0.920 203 Y HN 0.098 nan 8.280 nan 0.000 0.553 204 F N 0.600 120.559 119.950 0.015 0.000 2.184 204 F HA -0.171 4.356 4.527 0.000 0.000 0.301 204 F C 1.640 177.408 175.800 -0.053 0.000 1.076 204 F CA 1.343 59.334 58.000 -0.014 0.000 1.295 204 F CB -0.732 38.256 39.000 -0.020 0.000 1.026 204 F HN 0.014 nan 8.300 nan 0.000 0.494 205 I N 1.494 122.083 120.570 0.032 0.000 3.141 205 I HA -0.213 3.957 4.170 0.000 0.000 0.295 205 I C 0.611 176.741 176.117 0.021 0.000 1.252 205 I CA 1.063 62.350 61.300 -0.022 0.000 1.406 205 I CB 0.053 37.979 38.000 -0.124 0.000 1.333 205 I HN 0.269 nan 8.210 nan 0.000 0.594 206 N N 1.617 120.330 118.700 0.023 0.000 2.228 206 N HA 0.092 4.832 4.740 0.000 0.000 0.237 206 N C -0.625 174.896 175.510 0.018 0.000 1.382 206 N CA -0.426 52.639 53.050 0.025 0.000 0.787 206 N CB 0.460 38.972 38.487 0.041 0.000 1.320 206 N HN 0.370 nan 8.380 nan 0.000 0.507 207 K N 1.031 121.438 120.400 0.012 0.000 3.350 207 K HA 0.280 4.600 4.320 0.000 0.000 0.167 207 K C -2.197 174.406 176.600 0.004 0.000 1.058 207 K CA -0.985 55.309 56.287 0.012 0.000 0.783 207 K CB 1.833 34.345 32.500 0.020 0.000 0.872 207 K HN 0.018 nan 8.250 nan 0.000 0.561 208 P HA -0.202 nan 4.420 nan 0.000 0.222 208 P C 0.486 177.781 177.300 -0.009 0.000 1.139 208 P CA 1.252 64.342 63.100 -0.016 0.000 0.790 208 P CB 0.497 32.184 31.700 -0.021 0.000 0.757 209 E N -0.094 120.105 120.200 -0.002 0.000 2.110 209 E HA -0.106 4.244 4.350 0.000 0.000 0.193 209 E C 1.881 178.482 176.600 0.001 0.000 0.988 209 E CA 2.157 58.556 56.400 -0.000 0.000 0.804 209 E CB -0.879 28.824 29.700 0.005 0.000 0.745 209 E HN 0.450 nan 8.360 nan 0.000 0.458 210 T N -4.690 109.869 114.554 0.008 0.000 3.043 210 T HA 0.363 4.713 4.350 0.000 0.000 0.272 210 T C 1.193 175.906 174.700 0.022 0.000 0.990 210 T CA 0.014 62.122 62.100 0.013 0.000 0.897 210 T CB 0.661 69.546 68.868 0.029 0.000 1.111 210 T HN 0.227 nan 8.240 nan 0.000 0.529 211 G N 1.335 110.146 108.800 0.018 0.000 2.351 211 G HA2 0.245 4.205 3.960 0.000 0.000 0.297 211 G HA3 0.245 4.205 3.960 0.000 0.000 0.297 211 G C 0.042 174.989 174.900 0.077 0.000 1.054 211 G CA -0.067 45.048 45.100 0.024 0.000 1.123 211 G HN 1.341 nan 8.290 nan 0.000 0.512 212 A N -0.624 122.236 122.820 0.066 0.000 2.556 212 A HA 0.932 5.252 4.320 0.000 0.000 0.294 212 A C 0.179 177.808 177.584 0.075 0.000 1.091 212 A CA -0.099 52.004 52.037 0.109 0.000 0.704 212 A CB 1.703 20.759 19.000 0.093 0.000 1.300 212 A HN 1.305 nan 8.150 nan 0.000 0.406 213 V N 0.361 120.336 119.914 0.101 0.000 3.441 213 V HA 0.606 4.727 4.120 0.000 0.000 0.300 213 V C 0.362 176.486 176.094 0.050 0.000 1.062 213 V CA -0.053 62.293 62.300 0.076 0.000 1.064 213 V CB 1.389 33.264 31.823 0.087 0.000 1.197 213 V HN 0.982 nan 8.190 nan 0.000 0.451 214 E N 0.569 120.792 120.200 0.039 0.000 2.597 214 E HA 0.439 4.789 4.350 0.000 0.000 0.310 214 E C -2.159 174.453 176.600 0.020 0.000 0.970 214 E CA -0.488 55.926 56.400 0.023 0.000 0.819 214 E CB 1.202 30.915 29.700 0.021 0.000 1.267 214 E HN 0.570 nan 8.360 nan 0.000 0.411 215 L N 3.099 124.328 121.223 0.009 0.000 2.385 215 L HA 0.521 4.861 4.340 0.000 0.000 0.273 215 L C -0.288 176.577 176.870 -0.009 0.000 0.990 215 L CA -1.142 53.702 54.840 0.007 0.000 0.821 215 L CB 1.907 43.972 42.059 0.010 0.000 1.279 215 L HN 0.421 nan 8.230 nan 0.000 0.412 216 E N 1.338 121.531 120.200 -0.012 0.000 2.229 216 E HA 0.130 4.480 4.350 0.000 0.000 0.283 216 E C 0.256 176.822 176.600 -0.056 0.000 1.030 216 E CA -0.225 56.158 56.400 -0.028 0.000 0.836 216 E CB 1.435 31.122 29.700 -0.020 0.000 1.068 216 E HN 0.602 nan 8.360 nan 0.000 0.401 217 S N 2.399 118.053 115.700 -0.076 0.000 3.367 217 S HA -0.148 4.322 4.470 0.000 0.000 0.375 217 S C -1.912 172.567 174.600 -0.202 0.000 0.962 217 S CA 0.411 58.532 58.200 -0.132 0.000 1.229 217 S CB -1.292 61.823 63.200 -0.143 0.000 0.905 217 S HN 0.460 nan 8.310 nan 0.000 0.482 218 P HA 0.271 nan 4.420 nan 0.000 0.274 218 P C 0.007 177.204 177.300 -0.171 0.000 1.260 218 P CA -0.339 62.697 63.100 -0.105 0.000 0.793 218 P CB 0.452 32.146 31.700 -0.010 0.000 1.048 219 F N -0.435 119.523 119.950 0.013 0.000 2.425 219 F HA 0.454 4.981 4.527 0.000 0.000 0.331 219 F C 0.740 176.549 175.800 0.014 0.000 1.085 219 F CA -0.497 57.510 58.000 0.013 0.000 1.028 219 F CB 0.912 39.919 39.000 0.012 0.000 1.177 219 F HN 0.039 nan 8.300 nan 0.000 0.487 220 I N 4.347 125.065 120.570 0.248 0.000 2.418 220 I HA 0.271 4.441 4.170 0.000 0.000 0.287 220 I C -1.265 174.917 176.117 0.107 0.000 1.008 220 I CA -0.993 60.391 61.300 0.140 0.000 1.104 220 I CB 1.827 39.889 38.000 0.103 0.000 1.264 220 I HN 0.233 nan 8.210 nan 0.000 0.438 221 L N 8.200 129.467 121.223 0.072 0.000 2.255 221 L HA 0.441 4.781 4.340 0.000 0.000 0.289 221 L C -0.787 176.099 176.870 0.026 0.000 1.046 221 L CA -0.048 54.815 54.840 0.039 0.000 0.816 221 L CB 0.589 42.663 42.059 0.025 0.000 1.197 221 L HN 0.467 nan 8.230 nan 0.000 0.427 222 L N 6.405 127.638 121.223 0.016 0.000 2.314 222 L HA 0.640 4.980 4.340 0.000 0.000 0.275 222 L C 0.045 176.912 176.870 -0.005 0.000 1.068 222 L CA -0.374 54.466 54.840 0.000 0.000 0.894 222 L CB 0.690 42.746 42.059 -0.005 0.000 1.275 222 L HN 0.770 nan 8.230 nan 0.000 0.432 223 A N 1.713 124.530 122.820 -0.004 0.000 2.304 223 A HA 0.389 4.709 4.320 0.000 0.000 0.314 223 A C -0.657 176.923 177.584 -0.006 0.000 1.187 223 A CA -0.563 51.471 52.037 -0.004 0.000 0.810 223 A CB 1.004 20.005 19.000 0.002 0.000 1.183 223 A HN 0.618 nan 8.150 nan 0.000 0.487 224 D N 2.766 123.160 120.400 -0.009 0.000 2.453 224 D HA 0.464 5.104 4.640 0.000 0.000 0.223 224 D C -0.024 176.276 176.300 0.000 0.000 1.183 224 D CA 0.410 54.405 54.000 -0.009 0.000 0.933 224 D CB -0.371 40.420 40.800 -0.014 0.000 1.038 224 D HN 0.649 nan 8.370 nan 0.000 0.513 225 K N 0.643 121.047 120.400 0.006 0.000 3.663 225 K HA 0.172 4.492 4.320 0.000 0.000 0.413 225 K C -1.266 175.345 176.600 0.018 0.000 1.089 225 K CA -1.162 55.132 56.287 0.012 0.000 0.860 225 K CB 0.256 32.762 32.500 0.010 0.000 1.492 225 K HN -0.025 nan 8.250 nan 0.000 0.517 226 K N 0.489 120.902 120.400 0.021 0.000 2.087 226 K HA 0.589 4.909 4.320 0.000 0.000 0.255 226 K C -0.609 176.006 176.600 0.025 0.000 0.988 226 K CA -0.708 55.595 56.287 0.027 0.000 0.915 226 K CB 0.931 33.447 32.500 0.028 0.000 1.043 226 K HN 0.391 nan 8.250 nan 0.000 0.457 227 I N 0.808 121.397 120.570 0.031 0.000 2.512 227 I HA 0.076 4.246 4.170 0.000 0.000 0.287 227 I C 0.114 176.253 176.117 0.036 0.000 1.069 227 I CA -0.051 61.267 61.300 0.031 0.000 1.056 227 I CB 2.066 40.085 38.000 0.032 0.000 1.229 227 I HN 0.632 nan 8.210 nan 0.000 0.429 228 S N 3.910 119.628 115.700 0.030 0.000 2.700 228 S HA 0.246 4.716 4.470 0.000 0.000 0.272 228 S C -0.110 174.504 174.600 0.024 0.000 1.052 228 S CA -0.174 58.044 58.200 0.030 0.000 1.317 228 S CB 0.281 63.498 63.200 0.028 0.000 1.212 228 S HN 0.600 nan 8.310 nan 0.000 0.675 229 N N 2.748 121.460 118.700 0.020 0.000 2.699 229 N HA 0.300 5.040 4.740 0.000 0.000 0.232 229 N C 0.744 176.263 175.510 0.015 0.000 1.027 229 N CA -0.117 52.942 53.050 0.015 0.000 0.920 229 N CB 1.089 39.583 38.487 0.012 0.000 1.148 229 N HN 0.424 nan 8.380 nan 0.000 0.509 230 I N 1.593 122.173 120.570 0.016 0.000 2.479 230 I HA -0.280 3.890 4.170 0.000 0.000 0.258 230 I C 2.201 178.325 176.117 0.010 0.000 1.165 230 I CA 1.247 62.557 61.300 0.016 0.000 1.422 230 I CB 0.197 38.206 38.000 0.016 0.000 1.087 230 I HN 0.388 nan 8.210 nan 0.000 0.441 231 R N 0.923 121.428 120.500 0.008 0.000 2.355 231 R HA -0.174 4.166 4.340 0.000 0.000 0.219 231 R C 1.467 177.768 176.300 0.003 0.000 1.107 231 R CA 1.361 57.464 56.100 0.004 0.000 1.021 231 R CB -0.057 30.245 30.300 0.003 0.000 0.852 231 R HN 0.578 nan 8.270 nan 0.000 0.475 232 E N -1.029 119.174 120.200 0.004 0.000 2.452 232 E HA -0.001 4.349 4.350 0.000 0.000 0.197 232 E C 1.424 178.024 176.600 0.000 0.000 1.022 232 E CA 0.053 56.454 56.400 0.002 0.000 0.890 232 E CB 0.365 30.067 29.700 0.004 0.000 0.918 232 E HN 0.258 nan 8.360 nan 0.000 0.496 233 M N 0.280 119.883 119.600 0.004 0.000 2.394 233 M HA 0.058 4.538 4.480 0.000 0.000 0.266 233 M C 2.146 178.444 176.300 -0.004 0.000 1.098 233 M CA 0.812 56.114 55.300 0.003 0.000 1.149 233 M CB -0.508 32.100 32.600 0.013 0.000 1.369 233 M HN 0.138 nan 8.290 nan 0.000 0.450 234 L N 1.121 122.342 121.223 -0.002 0.000 1.997 234 L HA -0.199 4.141 4.340 0.000 0.000 0.216 234 L C -0.276 176.586 176.870 -0.013 0.000 1.074 234 L CA 1.660 56.497 54.840 -0.006 0.000 0.763 234 L CB -2.663 39.394 42.059 -0.004 0.000 0.890 234 L HN 0.186 nan 8.230 nan 0.000 0.434 235 P HA -0.108 nan 4.420 nan 0.000 0.226 235 P C 0.770 178.050 177.300 -0.033 0.000 1.146 235 P CA 1.346 64.433 63.100 -0.021 0.000 0.773 235 P CB 0.196 31.885 31.700 -0.018 0.000 0.772 236 V N -0.870 119.022 119.914 -0.036 0.000 3.047 236 V HA 0.210 4.330 4.120 0.000 0.000 0.374 236 V C 1.154 177.214 176.094 -0.056 0.000 1.399 236 V CA -0.020 62.245 62.300 -0.058 0.000 1.251 236 V CB 0.535 32.322 31.823 -0.060 0.000 1.228 236 V HN 0.015 nan 8.190 nan 0.000 0.589 237 L N -1.251 119.951 121.223 -0.036 0.000 2.854 237 L HA 0.401 4.741 4.340 0.000 0.000 0.249 237 L C 1.949 178.809 176.870 -0.017 0.000 1.091 237 L CA 0.754 55.582 54.840 -0.020 0.000 0.935 237 L CB 0.916 42.975 42.059 -0.000 0.000 1.367 237 L HN 0.220 nan 8.230 nan 0.000 0.524 238 E N 0.458 120.646 120.200 -0.020 0.000 2.216 238 E HA -0.008 4.342 4.350 0.000 0.000 0.192 238 E C 1.612 178.197 176.600 -0.025 0.000 0.988 238 E CA 0.711 57.102 56.400 -0.014 0.000 0.834 238 E CB 0.129 29.821 29.700 -0.012 0.000 0.772 238 E HN 0.509 nan 8.360 nan 0.000 0.479 239 A N 0.667 123.457 122.820 -0.049 0.000 2.250 239 A HA 0.039 4.359 4.320 0.000 0.000 0.208 239 A C 1.628 179.149 177.584 -0.104 0.000 1.254 239 A CA 0.434 52.424 52.037 -0.078 0.000 0.858 239 A CB 0.066 19.001 19.000 -0.110 0.000 0.820 239 A HN 0.078 nan 8.150 nan 0.000 0.484 240 V N -2.084 117.799 119.914 -0.051 0.000 3.473 240 V HA 0.089 4.209 4.120 0.000 0.000 0.253 240 V C 2.504 178.624 176.094 0.044 0.000 1.340 240 V CA 0.945 63.241 62.300 -0.006 0.000 1.103 240 V CB 0.095 31.925 31.823 0.013 0.000 0.881 240 V HN 0.489 nan 8.190 nan 0.000 0.451 241 A N -0.098 122.737 122.820 0.025 0.000 2.067 241 A HA -0.074 4.246 4.320 0.000 0.000 0.219 241 A C 1.426 179.030 177.584 0.033 0.000 1.158 241 A CA 0.973 53.028 52.037 0.031 0.000 0.661 241 A CB -0.188 18.823 19.000 0.019 0.000 0.801 241 A HN 0.401 nan 8.150 nan 0.000 0.452 242 K N 0.072 120.487 120.400 0.025 0.000 2.285 242 K HA 0.429 4.749 4.320 0.000 0.000 0.286 242 K C 0.038 176.673 176.600 0.057 0.000 1.072 242 K CA 0.433 56.736 56.287 0.028 0.000 0.913 242 K CB 0.117 32.622 32.500 0.008 0.000 1.067 242 K HN 0.852 nan 8.250 nan 0.000 0.479 243 A N 3.123 125.983 122.820 0.067 0.000 2.971 243 A HA -0.125 4.195 4.320 0.000 0.000 0.280 243 A C 0.633 178.292 177.584 0.126 0.000 1.430 243 A CA 0.388 52.485 52.037 0.100 0.000 0.749 243 A CB -2.265 16.822 19.000 0.145 0.000 1.038 243 A HN 1.101 nan 8.150 nan 0.000 0.510 244 G N 0.299 109.151 108.800 0.086 0.000 2.526 244 G HA2 0.100 4.060 3.960 0.000 0.000 0.307 244 G HA3 0.100 4.060 3.960 0.000 0.000 0.307 244 G C 0.192 175.150 174.900 0.096 0.000 0.456 244 G CA 1.132 46.282 45.100 0.083 0.000 1.625 244 G HN 0.830 nan 8.290 nan 0.000 0.392 245 K N 2.934 123.431 120.400 0.162 0.000 2.425 245 K HA 0.260 4.580 4.320 0.000 0.000 0.259 245 K C -2.126 174.585 176.600 0.184 0.000 0.978 245 K CA -1.816 54.557 56.287 0.142 0.000 0.883 245 K CB 2.446 35.018 32.500 0.121 0.000 1.110 245 K HN 0.188 nan 8.250 nan 0.000 0.436 246 P HA -0.129 nan 4.420 nan 0.000 0.268 246 P C -0.802 176.583 177.300 0.141 0.000 1.189 246 P CA -0.271 62.892 63.100 0.103 0.000 0.771 246 P CB 0.628 32.366 31.700 0.064 0.000 0.822 247 L N 2.716 124.015 121.223 0.127 0.000 2.346 247 L HA 0.580 4.920 4.340 0.000 0.000 0.274 247 L C -1.147 175.767 176.870 0.073 0.000 1.007 247 L CA -1.051 53.870 54.840 0.135 0.000 0.818 247 L CB 1.568 43.698 42.059 0.119 0.000 1.284 247 L HN 0.214 nan 8.230 nan 0.000 0.424 248 L N 5.468 126.736 121.223 0.075 0.000 2.305 248 L HA 0.606 4.946 4.340 0.000 0.000 0.284 248 L C -1.198 175.695 176.870 0.038 0.000 1.013 248 L CA -0.177 54.683 54.840 0.034 0.000 0.819 248 L CB 1.181 43.269 42.059 0.048 0.000 1.227 248 L HN 0.422 nan 8.230 nan 0.000 0.417 249 I N 6.931 127.504 120.570 0.005 0.000 2.339 249 I HA 0.352 4.522 4.170 0.000 0.000 0.290 249 I C -0.254 175.877 176.117 0.024 0.000 0.994 249 I CA -0.248 61.062 61.300 0.016 0.000 1.191 249 I CB 1.253 39.258 38.000 0.009 0.000 1.343 249 I HN 0.562 nan 8.210 nan 0.000 0.458 250 I N 5.751 126.341 120.570 0.032 0.000 2.411 250 I HA 0.642 4.812 4.170 0.000 0.000 0.284 250 I C -0.008 176.114 176.117 0.008 0.000 1.012 250 I CA -0.231 61.087 61.300 0.030 0.000 1.119 250 I CB 1.770 39.784 38.000 0.024 0.000 1.261 250 I HN 0.707 nan 8.210 nan 0.000 0.448 251 A N 4.498 127.326 122.820 0.013 0.000 2.593 251 A HA 0.392 4.712 4.320 0.000 0.000 0.290 251 A C 0.668 178.261 177.584 0.015 0.000 1.126 251 A CA -0.555 51.487 52.037 0.009 0.000 0.695 251 A CB 1.433 20.443 19.000 0.017 0.000 1.290 251 A HN 0.744 nan 8.150 nan 0.000 0.414 252 E N -0.484 119.725 120.200 0.015 0.000 2.147 252 E HA -0.192 4.158 4.350 0.000 0.000 0.199 252 E C -0.081 176.542 176.600 0.038 0.000 1.005 252 E CA 2.081 58.497 56.400 0.026 0.000 0.810 252 E CB 0.073 29.790 29.700 0.028 0.000 0.736 252 E HN 0.628 nan 8.360 nan 0.000 0.460 253 D N -2.654 117.769 120.400 0.038 0.000 2.983 253 D HA 0.109 4.749 4.640 0.000 0.000 0.269 253 D C -2.050 174.280 176.300 0.050 0.000 1.121 253 D CA -0.432 53.597 54.000 0.048 0.000 0.724 253 D CB 1.324 42.153 40.800 0.048 0.000 1.381 253 D HN -0.117 nan 8.370 nan 0.000 0.442 254 V N 2.194 122.146 119.914 0.063 0.000 2.443 254 V HA 0.492 4.612 4.120 0.000 0.000 0.293 254 V C -0.377 175.763 176.094 0.076 0.000 1.021 254 V CA -0.602 61.740 62.300 0.070 0.000 0.848 254 V CB 1.574 33.449 31.823 0.087 0.000 0.998 254 V HN 0.426 nan 8.190 nan 0.000 0.424 255 E N 2.672 122.909 120.200 0.061 0.000 2.212 255 E HA 0.528 4.878 4.350 0.000 0.000 0.270 255 E C 1.272 177.902 176.600 0.050 0.000 0.956 255 E CA -0.214 56.219 56.400 0.055 0.000 0.825 255 E CB 1.948 31.673 29.700 0.042 0.000 1.167 255 E HN 0.707 nan 8.360 nan 0.000 0.400 256 G N 2.520 111.348 108.800 0.047 0.000 3.359 256 G HA2 -0.478 3.482 3.960 0.000 0.000 0.338 256 G HA3 -0.478 3.482 3.960 0.000 0.000 0.338 256 G C 1.282 176.199 174.900 0.027 0.000 1.486 256 G CA 1.659 46.780 45.100 0.035 0.000 1.570 256 G HN 0.672 nan 8.290 nan 0.000 1.093 257 E N 1.134 121.348 120.200 0.023 0.000 2.012 257 E HA -0.154 4.196 4.350 0.000 0.000 0.211 257 E C 2.973 179.586 176.600 0.021 0.000 1.029 257 E CA 1.992 58.402 56.400 0.017 0.000 0.867 257 E CB -0.945 28.765 29.700 0.016 0.000 0.790 257 E HN 0.605 nan 8.360 nan 0.000 0.482 258 A N 0.635 123.473 122.820 0.030 0.000 2.121 258 A HA -0.115 4.205 4.320 0.000 0.000 0.218 258 A C 2.124 179.744 177.584 0.060 0.000 1.154 258 A CA 1.209 53.269 52.037 0.039 0.000 0.679 258 A CB -0.401 18.623 19.000 0.040 0.000 0.795 258 A HN 0.349 nan 8.150 nan 0.000 0.458 259 L N -0.464 120.799 121.223 0.068 0.000 2.049 259 L HA 0.143 4.484 4.340 0.000 0.000 0.203 259 L C 2.544 179.453 176.870 0.064 0.000 1.074 259 L CA 2.206 57.108 54.840 0.105 0.000 0.749 259 L CB -1.082 41.044 42.059 0.111 0.000 0.907 259 L HN 0.252 nan 8.230 nan 0.000 0.439 260 A N -1.485 121.346 122.820 0.018 0.000 1.972 260 A HA -0.160 4.160 4.320 0.000 0.000 0.219 260 A C 2.202 179.751 177.584 -0.058 0.000 1.169 260 A CA 2.011 54.024 52.037 -0.040 0.000 0.635 260 A CB -1.186 17.791 19.000 -0.038 0.000 0.810 260 A HN 0.530 nan 8.150 nan 0.000 0.446 261 T N 0.372 114.915 114.554 -0.018 0.000 2.833 261 T HA -0.081 4.269 4.350 0.000 0.000 0.269 261 T C 1.704 176.397 174.700 -0.013 0.000 1.054 261 T CA 1.479 63.569 62.100 -0.017 0.000 1.135 261 T CB -0.297 68.575 68.868 0.005 0.000 0.869 261 T HN 0.415 nan 8.240 nan 0.000 0.466 262 L N 0.486 121.722 121.223 0.022 0.000 2.127 262 L HA 0.033 4.373 4.340 0.000 0.000 0.203 262 L C 2.507 179.340 176.870 -0.062 0.000 1.080 262 L CA 0.552 55.432 54.840 0.066 0.000 0.768 262 L CB -0.530 41.666 42.059 0.228 0.000 0.924 262 L HN 0.109 nan 8.230 nan 0.000 0.444 263 V N -0.513 119.273 119.914 -0.214 0.000 2.828 263 V HA -0.215 3.905 4.120 0.000 0.000 0.260 263 V C 2.284 178.170 176.094 -0.347 0.000 1.101 263 V CA 1.024 63.039 62.300 -0.474 0.000 1.123 263 V CB -0.516 31.031 31.823 -0.461 0.000 0.704 263 V HN 0.190 nan 8.190 nan 0.000 0.493 264 V N 0.548 120.336 119.914 -0.211 0.000 2.251 264 V HA -0.194 3.926 4.120 0.000 0.000 0.237 264 V C 2.070 178.097 176.094 -0.112 0.000 1.040 264 V CA 2.235 64.436 62.300 -0.165 0.000 1.005 264 V CB -0.800 30.957 31.823 -0.109 0.000 0.645 264 V HN 0.564 nan 8.190 nan 0.000 0.458 265 N N 0.533 119.197 118.700 -0.060 0.000 2.322 265 N HA -0.201 4.539 4.740 0.000 0.000 0.189 265 N C 1.539 177.043 175.510 -0.010 0.000 1.012 265 N CA 1.696 54.733 53.050 -0.022 0.000 0.880 265 N CB -0.158 38.335 38.487 0.010 0.000 0.967 265 N HN 0.707 nan 8.380 nan 0.000 0.439 266 T N -2.644 111.894 114.554 -0.028 0.000 3.129 266 T HA 0.139 4.489 4.350 0.000 0.000 0.251 266 T C 1.468 176.153 174.700 -0.024 0.000 1.117 266 T CA 0.237 62.339 62.100 0.004 0.000 1.034 266 T CB 0.238 69.124 68.868 0.030 0.000 0.968 266 T HN 0.000 nan 8.240 nan 0.000 0.526 267 M N 0.269 119.832 119.600 -0.061 0.000 2.730 267 M HA 0.452 4.932 4.480 0.000 0.000 0.258 267 M C 1.975 178.252 176.300 -0.038 0.000 1.279 267 M CA 0.508 55.774 55.300 -0.057 0.000 1.183 267 M CB 0.407 32.942 32.600 -0.110 0.000 1.291 267 M HN -0.027 nan 8.290 nan 0.000 0.518 268 R N -0.172 120.304 120.500 -0.041 0.000 2.319 268 R HA 0.246 4.586 4.340 0.000 0.000 0.204 268 R C 1.057 177.350 176.300 -0.012 0.000 0.954 268 R CA 0.649 56.732 56.100 -0.028 0.000 1.066 268 R CB -0.325 29.957 30.300 -0.031 0.000 0.991 268 R HN 0.588 nan 8.270 nan 0.000 0.486 269 G N 1.817 110.615 108.800 -0.005 0.000 2.205 269 G HA2 -0.303 3.657 3.960 0.000 0.000 0.269 269 G HA3 -0.303 3.657 3.960 0.000 0.000 0.269 269 G C 0.396 175.304 174.900 0.013 0.000 0.977 269 G CA 0.336 45.441 45.100 0.008 0.000 0.652 269 G HN 0.378 nan 8.290 nan 0.000 0.539 270 I N 1.366 121.941 120.570 0.008 0.000 2.352 270 I HA 0.339 4.509 4.170 0.000 0.000 0.303 270 I C 0.687 176.818 176.117 0.024 0.000 1.194 270 I CA -0.289 61.018 61.300 0.012 0.000 1.518 270 I CB -0.009 37.994 38.000 0.005 0.000 1.489 270 I HN 0.087 nan 8.210 nan 0.000 0.702 271 V N 4.878 124.812 119.914 0.033 0.000 3.418 271 V HA -0.220 3.900 4.120 0.000 0.000 0.479 271 V C 0.272 176.404 176.094 0.064 0.000 0.682 271 V CA 0.242 62.571 62.300 0.048 0.000 2.011 271 V CB -1.201 30.649 31.823 0.046 0.000 2.457 271 V HN 0.969 nan 8.190 nan 0.000 0.501 272 K N 4.982 125.427 120.400 0.074 0.000 2.211 272 K HA 0.842 5.162 4.320 0.000 0.000 0.275 272 K C -0.346 176.326 176.600 0.121 0.000 1.024 272 K CA -0.504 55.844 56.287 0.101 0.000 0.887 272 K CB 2.413 34.966 32.500 0.088 0.000 1.084 272 K HN 0.999 nan 8.250 nan 0.000 0.463 273 V N -1.606 118.411 119.914 0.172 0.000 3.156 273 V HA 0.956 5.076 4.120 0.000 0.000 0.310 273 V C -1.149 175.020 176.094 0.126 0.000 1.234 273 V CA -1.076 61.303 62.300 0.133 0.000 1.065 273 V CB 1.514 33.405 31.823 0.114 0.000 1.088 273 V HN 1.036 nan 8.190 nan 0.000 0.451 274 A N 0.005 122.731 122.820 -0.158 0.000 2.540 274 A HA 1.007 5.327 4.320 0.000 0.000 0.297 274 A C -0.586 176.677 177.584 -0.535 0.000 1.056 274 A CA -0.064 51.516 52.037 -0.762 0.000 0.700 274 A CB 1.310 20.040 19.000 -0.449 0.000 1.280 274 A HN 2.512 nan 8.150 nan 0.000 0.398 275 A N 0.955 123.355 122.820 -0.700 0.000 2.401 275 A HA 0.922 5.242 4.320 0.000 0.000 0.310 275 A C -0.329 177.163 177.584 -0.153 0.000 1.075 275 A CA -0.115 51.769 52.037 -0.254 0.000 0.746 275 A CB 1.469 20.403 19.000 -0.110 0.000 1.277 275 A HN 2.300 nan 8.150 nan 0.000 0.425 276 V N -1.024 118.881 119.914 -0.015 0.000 2.962 276 V HA 0.656 4.777 4.120 0.000 0.000 0.313 276 V C -0.328 175.824 176.094 0.097 0.000 1.099 276 V CA -1.142 61.194 62.300 0.061 0.000 0.971 276 V CB 1.533 33.417 31.823 0.101 0.000 1.028 276 V HN 0.965 nan 8.190 nan 0.000 0.430 277 K N 2.338 122.798 120.400 0.101 0.000 2.350 277 K HA 0.623 4.943 4.320 0.000 0.000 0.279 277 K C 0.607 177.263 176.600 0.094 0.000 1.027 277 K CA 0.372 56.711 56.287 0.086 0.000 0.969 277 K CB 0.957 33.504 32.500 0.077 0.000 0.954 277 K HN 1.273 nan 8.250 nan 0.000 0.474 278 A N 5.754 128.593 122.820 0.032 0.000 2.577 278 A HA 0.109 4.429 4.320 0.000 0.000 0.233 278 A C -2.123 175.437 177.584 -0.039 0.000 1.076 278 A CA -0.687 51.317 52.037 -0.055 0.000 0.767 278 A CB -0.477 18.487 19.000 -0.060 0.000 1.017 278 A HN 0.639 nan 8.150 nan 0.000 0.511 279 P HA 0.406 nan 4.420 nan 0.000 0.278 279 P C 0.702 178.006 177.300 0.007 0.000 1.238 279 P CA 1.262 64.324 63.100 -0.063 0.000 0.794 279 P CB 0.764 32.316 31.700 -0.247 0.000 0.955 280 G N 2.443 111.301 108.800 0.096 0.000 2.633 280 G HA2 -0.122 3.838 3.960 0.000 0.000 0.263 280 G HA3 -0.122 3.838 3.960 0.000 0.000 0.263 280 G C -0.733 174.328 174.900 0.269 0.000 1.310 280 G CA 0.332 45.542 45.100 0.183 0.000 0.914 280 G HN 0.777 nan 8.290 nan 0.000 0.569 281 F N -2.315 117.639 119.950 0.007 0.000 2.686 281 F HA 0.802 5.329 4.527 0.000 0.000 0.311 281 F C 0.701 176.507 175.800 0.010 0.000 1.128 281 F CA 0.162 58.167 58.000 0.008 0.000 0.946 281 F CB 1.101 40.111 39.000 0.016 0.000 1.336 281 F HN 2.549 nan 8.300 nan 0.000 0.457 282 G N 1.663 110.370 108.800 -0.154 0.000 2.593 282 G HA2 -0.228 3.732 3.960 0.000 0.000 0.237 282 G HA3 -0.228 3.732 3.960 0.000 0.000 0.237 282 G C 0.044 174.835 174.900 -0.180 0.000 1.312 282 G CA 0.162 45.107 45.100 -0.258 0.000 0.896 282 G HN 0.907 nan 8.290 nan 0.000 0.574 283 D N 0.374 120.672 120.400 -0.170 0.000 2.265 283 D HA -0.081 4.559 4.640 0.000 0.000 0.208 283 D C 2.514 178.742 176.300 -0.120 0.000 0.977 283 D CA 1.407 55.339 54.000 -0.113 0.000 0.871 283 D CB -0.074 40.671 40.800 -0.092 0.000 0.925 283 D HN 0.530 nan 8.370 nan 0.000 0.485 284 R N 0.452 120.849 120.500 -0.171 0.000 2.062 284 R HA 0.031 4.371 4.340 0.000 0.000 0.229 284 R C 2.417 178.651 176.300 -0.111 0.000 1.128 284 R CA 0.376 56.390 56.100 -0.143 0.000 0.960 284 R CB -0.218 29.977 30.300 -0.174 0.000 0.855 284 R HN 0.062 nan 8.270 nan 0.000 0.432 285 R N 1.935 122.370 120.500 -0.108 0.000 2.103 285 R HA -0.183 4.157 4.340 0.000 0.000 0.242 285 R C 1.823 178.079 176.300 -0.073 0.000 1.142 285 R CA 1.813 57.871 56.100 -0.070 0.000 0.960 285 R CB -0.050 30.235 30.300 -0.024 0.000 0.858 285 R HN 0.154 nan 8.270 nan 0.000 0.439 286 K N -0.359 120.001 120.400 -0.066 0.000 2.063 286 K HA -0.132 4.188 4.320 0.000 0.000 0.208 286 K C 2.067 178.631 176.600 -0.060 0.000 1.048 286 K CA 1.605 57.859 56.287 -0.055 0.000 0.928 286 K CB -0.140 32.332 32.500 -0.047 0.000 0.713 286 K HN 0.245 nan 8.250 nan 0.000 0.442 287 A N 0.964 123.744 122.820 -0.067 0.000 1.929 287 A HA -0.072 4.248 4.320 0.000 0.000 0.216 287 A C 2.073 179.615 177.584 -0.069 0.000 1.176 287 A CA 1.089 53.088 52.037 -0.062 0.000 0.628 287 A CB -0.332 18.630 19.000 -0.064 0.000 0.816 287 A HN 0.154 nan 8.150 nan 0.000 0.444 288 M N -0.511 119.039 119.600 -0.084 0.000 2.229 288 M HA -0.064 4.416 4.480 0.000 0.000 0.264 288 M C 2.022 178.248 176.300 -0.123 0.000 1.063 288 M CA 1.037 56.276 55.300 -0.103 0.000 1.114 288 M CB -0.464 32.063 32.600 -0.121 0.000 1.387 288 M HN 0.386 nan 8.290 nan 0.000 0.420 289 L N -0.217 120.938 121.223 -0.114 0.000 2.017 289 L HA -0.253 4.087 4.340 0.000 0.000 0.208 289 L C 2.633 179.457 176.870 -0.077 0.000 1.073 289 L CA 1.411 56.184 54.840 -0.111 0.000 0.745 289 L CB -0.628 41.382 42.059 -0.083 0.000 0.894 289 L HN 0.292 nan 8.230 nan 0.000 0.432 290 Q N 0.486 120.251 119.800 -0.059 0.000 2.152 290 Q HA -0.239 4.101 4.340 0.000 0.000 0.206 290 Q C 1.570 177.547 176.000 -0.037 0.000 0.985 290 Q CA 2.033 57.812 55.803 -0.041 0.000 0.863 290 Q CB -0.195 28.521 28.738 -0.035 0.000 0.904 290 Q HN 0.414 nan 8.270 nan 0.000 0.422 291 D N -0.391 119.981 120.400 -0.047 0.000 2.087 291 D HA -0.173 4.467 4.640 0.000 0.000 0.192 291 D C 1.808 178.091 176.300 -0.029 0.000 0.993 291 D CA 1.690 55.668 54.000 -0.037 0.000 0.828 291 D CB -0.306 40.467 40.800 -0.044 0.000 0.968 291 D HN 0.328 nan 8.370 nan 0.000 0.448 292 I N 0.832 121.373 120.570 -0.048 0.000 2.194 292 I HA -0.328 3.842 4.170 0.000 0.000 0.246 292 I C 2.386 178.499 176.117 -0.006 0.000 1.093 292 I CA 1.158 62.441 61.300 -0.027 0.000 1.355 292 I CB -0.353 37.603 38.000 -0.073 0.000 1.046 292 I HN -0.022 nan 8.210 nan 0.000 0.413 293 A N 0.462 123.272 122.820 -0.016 0.000 1.865 293 A HA -0.226 4.094 4.320 0.000 0.000 0.217 293 A C 2.401 179.988 177.584 0.005 0.000 1.191 293 A CA 2.616 54.652 52.037 -0.002 0.000 0.623 293 A CB -1.142 17.853 19.000 -0.009 0.000 0.826 293 A HN 0.380 nan 8.150 nan 0.000 0.444 294 T N 0.397 114.950 114.554 -0.002 0.000 2.674 294 T HA -0.125 4.225 4.350 0.000 0.000 0.265 294 T C 1.830 176.534 174.700 0.007 0.000 1.039 294 T CA 1.300 63.401 62.100 0.001 0.000 1.150 294 T CB -0.396 68.470 68.868 -0.004 0.000 0.864 294 T HN 0.308 nan 8.240 nan 0.000 0.427 295 L N 2.027 123.254 121.223 0.007 0.000 2.263 295 L HA -0.084 4.256 4.340 0.000 0.000 0.216 295 L C 1.858 178.739 176.870 0.018 0.000 1.111 295 L CA 2.155 57.003 54.840 0.013 0.000 0.773 295 L CB -1.147 40.922 42.059 0.018 0.000 0.906 295 L HN 0.490 nan 8.230 nan 0.000 0.439 296 T N -3.741 110.827 114.554 0.022 0.000 3.182 296 T HA 0.369 4.719 4.350 0.000 0.000 0.277 296 T C 0.880 175.599 174.700 0.033 0.000 1.013 296 T CA 0.153 62.270 62.100 0.028 0.000 0.900 296 T CB -0.203 68.689 68.868 0.040 0.000 1.098 296 T HN 0.517 nan 8.240 nan 0.000 0.543 297 G N 0.014 108.829 108.800 0.026 0.000 2.402 297 G HA2 0.372 4.332 3.960 0.000 0.000 0.206 297 G HA3 0.372 4.332 3.960 0.000 0.000 0.206 297 G C 0.265 175.192 174.900 0.044 0.000 0.637 297 G CA -0.148 44.970 45.100 0.031 0.000 0.974 297 G HN 1.627 nan 8.290 nan 0.000 0.308 298 G N 0.284 109.105 108.800 0.034 0.000 2.317 298 G HA2 0.957 4.917 3.960 0.000 0.000 0.293 298 G HA3 0.957 4.917 3.960 0.000 0.000 0.293 298 G C -0.477 174.434 174.900 0.019 0.000 1.287 298 G CA 0.517 45.639 45.100 0.036 0.000 0.850 298 G HN 2.210 nan 8.290 nan 0.000 0.515 299 T N -2.152 112.410 114.554 0.014 0.000 2.903 299 T HA 0.750 5.100 4.350 0.000 0.000 0.299 299 T C 0.101 174.801 174.700 -0.001 0.000 1.093 299 T CA -0.179 61.923 62.100 0.003 0.000 1.002 299 T CB 1.353 70.221 68.868 0.001 0.000 1.127 299 T HN 1.878 nan 8.240 nan 0.000 0.488 300 V N 0.041 119.950 119.914 -0.007 0.000 2.775 300 V HA 0.601 4.721 4.120 0.000 0.000 0.299 300 V C -0.092 175.997 176.094 -0.010 0.000 1.062 300 V CA -0.794 61.500 62.300 -0.011 0.000 1.063 300 V CB 0.122 31.934 31.823 -0.019 0.000 0.994 300 V HN 0.890 nan 8.190 nan 0.000 0.483 301 I N 4.537 125.102 120.570 -0.009 0.000 2.388 301 I HA 0.417 4.587 4.170 0.000 0.000 0.281 301 I C 0.156 176.268 176.117 -0.008 0.000 1.046 301 I CA -0.054 61.241 61.300 -0.008 0.000 1.187 301 I CB 1.212 39.208 38.000 -0.007 0.000 1.351 301 I HN 0.876 nan 8.210 nan 0.000 0.472 302 S N 2.659 118.354 115.700 -0.008 0.000 2.482 302 S HA 0.404 4.874 4.470 0.000 0.000 0.303 302 S C 0.548 175.145 174.600 -0.005 0.000 1.091 302 S CA -0.853 57.342 58.200 -0.007 0.000 1.057 302 S CB 2.089 65.283 63.200 -0.010 0.000 1.031 302 S HN 0.588 nan 8.310 nan 0.000 0.485 303 E N 1.590 121.788 120.200 -0.003 0.000 2.204 303 E HA -0.176 4.174 4.350 0.000 0.000 0.195 303 E C 1.185 177.783 176.600 -0.003 0.000 0.990 303 E CA 1.128 57.527 56.400 -0.002 0.000 0.821 303 E CB -0.174 29.527 29.700 0.001 0.000 0.750 303 E HN 0.805 nan 8.360 nan 0.000 0.477 304 E N 0.211 120.408 120.200 -0.004 0.000 2.339 304 E HA -0.177 4.173 4.350 0.000 0.000 0.201 304 E C 0.859 177.456 176.600 -0.005 0.000 1.015 304 E CA 0.734 57.131 56.400 -0.005 0.000 0.841 304 E CB -0.015 29.680 29.700 -0.007 0.000 0.754 304 E HN 0.374 nan 8.360 nan 0.000 0.508 305 I N -0.870 119.697 120.570 -0.005 0.000 3.171 305 I HA 0.190 4.360 4.170 0.000 0.000 0.329 305 I C 0.907 177.021 176.117 -0.005 0.000 1.522 305 I CA -0.144 61.153 61.300 -0.005 0.000 0.948 305 I CB 0.928 38.924 38.000 -0.006 0.000 1.527 305 I HN 0.105 nan 8.210 nan 0.000 0.547 306 G N 1.691 110.488 108.800 -0.004 0.000 2.322 306 G HA2 -0.346 3.614 3.960 0.000 0.000 0.264 306 G HA3 -0.346 3.614 3.960 0.000 0.000 0.264 306 G C 0.592 175.490 174.900 -0.004 0.000 0.992 306 G CA 0.148 45.246 45.100 -0.003 0.000 0.624 306 G HN 0.401 nan 8.290 nan 0.000 0.543 307 M N 1.348 120.945 119.600 -0.005 0.000 2.261 307 M HA 0.230 4.710 4.480 0.000 0.000 0.350 307 M C 0.654 176.951 176.300 -0.005 0.000 1.343 307 M CA 1.084 56.381 55.300 -0.006 0.000 1.003 307 M CB 0.210 32.806 32.600 -0.007 0.000 1.848 307 M HN 0.318 nan 8.290 nan 0.000 0.456 308 E N 2.403 122.599 120.200 -0.006 0.000 2.264 308 E HA 0.297 4.647 4.350 0.000 0.000 0.260 308 E C 0.361 176.957 176.600 -0.007 0.000 0.961 308 E CA -0.711 55.686 56.400 -0.005 0.000 0.834 308 E CB 1.619 31.316 29.700 -0.005 0.000 1.230 308 E HN 0.668 nan 8.360 nan 0.000 0.412 309 L N 1.065 122.284 121.223 -0.006 0.000 2.465 309 L HA -0.128 4.212 4.340 0.000 0.000 0.224 309 L C 1.502 178.364 176.870 -0.014 0.000 1.145 309 L CA 0.829 55.663 54.840 -0.009 0.000 0.834 309 L CB -0.196 41.859 42.059 -0.006 0.000 0.944 309 L HN 0.458 nan 8.230 nan 0.000 0.451 310 E N 0.320 120.513 120.200 -0.012 0.000 2.122 310 E HA -0.067 4.283 4.350 0.000 0.000 0.190 310 E C 1.241 177.831 176.600 -0.016 0.000 0.977 310 E CA 0.713 57.105 56.400 -0.014 0.000 0.820 310 E CB 0.060 29.754 29.700 -0.010 0.000 0.770 310 E HN 0.229 nan 8.360 nan 0.000 0.462 311 K N 0.635 121.027 120.400 -0.013 0.000 2.836 311 K HA 0.271 4.591 4.320 0.000 0.000 0.236 311 K C -0.435 176.155 176.600 -0.017 0.000 1.015 311 K CA 0.020 56.299 56.287 -0.014 0.000 1.194 311 K CB 0.248 32.742 32.500 -0.010 0.000 1.002 311 K HN -0.038 nan 8.250 nan 0.000 0.479 312 A N 1.102 123.909 122.820 -0.022 0.000 2.340 312 A HA 0.274 4.594 4.320 0.000 0.000 0.297 312 A C 0.731 178.290 177.584 -0.041 0.000 1.195 312 A CA -0.812 51.208 52.037 -0.028 0.000 0.769 312 A CB 0.551 19.533 19.000 -0.029 0.000 1.163 312 A HN 0.272 nan 8.150 nan 0.000 0.472 313 T N 0.869 115.399 114.554 -0.040 0.000 5.570 313 T HA 0.201 4.551 4.350 0.000 0.000 0.280 313 T C 1.179 175.828 174.700 -0.085 0.000 0.813 313 T CA 1.208 63.277 62.100 -0.052 0.000 1.702 313 T CB -0.213 68.633 68.868 -0.037 0.000 1.406 313 T HN 0.344 nan 8.240 nan 0.000 0.284 314 L N -0.570 120.599 121.223 -0.090 0.000 2.730 314 L HA 0.374 4.714 4.340 0.000 0.000 0.236 314 L C 2.539 179.357 176.870 -0.086 0.000 1.061 314 L CA 0.225 54.972 54.840 -0.155 0.000 0.898 314 L CB 0.098 42.045 42.059 -0.186 0.000 1.270 314 L HN 0.446 nan 8.230 nan 0.000 0.500 315 E N 0.556 120.740 120.200 -0.027 0.000 2.418 315 E HA -0.177 4.173 4.350 0.000 0.000 0.197 315 E C 1.344 177.952 176.600 0.013 0.000 1.026 315 E CA 0.920 57.330 56.400 0.016 0.000 0.862 315 E CB 0.048 29.759 29.700 0.018 0.000 0.799 315 E HN 0.297 nan 8.360 nan 0.000 0.518 316 D N -0.339 120.055 120.400 -0.010 0.000 2.269 316 D HA -0.071 4.569 4.640 0.000 0.000 0.208 316 D C 0.453 176.754 176.300 0.002 0.000 0.963 316 D CA 0.196 54.192 54.000 -0.007 0.000 0.864 316 D CB 0.078 40.867 40.800 -0.019 0.000 0.936 316 D HN 0.195 nan 8.370 nan 0.000 0.505 317 L N 0.523 121.742 121.223 -0.007 0.000 2.453 317 L HA 0.373 4.713 4.340 0.000 0.000 0.261 317 L C 0.912 177.849 176.870 0.112 0.000 1.179 317 L CA 0.051 54.904 54.840 0.022 0.000 0.813 317 L CB 1.105 43.120 42.059 -0.075 0.000 1.110 317 L HN -0.112 nan 8.230 nan 0.000 0.466 318 G N 1.382 110.268 108.800 0.143 0.000 2.502 318 G HA2 0.529 4.489 3.960 0.000 0.000 0.305 318 G HA3 0.529 4.489 3.960 0.000 0.000 0.305 318 G C -1.416 173.615 174.900 0.218 0.000 1.190 318 G CA -0.271 44.916 45.100 0.145 0.000 0.933 318 G HN 0.710 nan 8.290 nan 0.000 0.503 319 Q N -1.058 118.806 119.800 0.107 0.000 2.378 319 Q HA 0.541 4.881 4.340 0.000 0.000 0.262 319 Q C -1.521 174.462 176.000 -0.030 0.000 0.978 319 Q CA -0.743 55.064 55.803 0.007 0.000 0.918 319 Q CB 1.860 30.572 28.738 -0.042 0.000 1.415 319 Q HN 1.010 nan 8.270 nan 0.000 0.409 320 A N 2.786 125.569 122.820 -0.062 0.000 2.556 320 A HA 0.428 4.748 4.320 0.000 0.000 0.294 320 A C -0.300 177.243 177.584 -0.069 0.000 1.091 320 A CA -0.614 51.397 52.037 -0.044 0.000 0.704 320 A CB 1.857 20.851 19.000 -0.009 0.000 1.300 320 A HN 0.811 nan 8.150 nan 0.000 0.406 321 K N -0.471 119.898 120.400 -0.052 0.000 2.362 321 K HA -0.005 4.315 4.320 0.000 0.000 0.200 321 K C 0.394 176.967 176.600 -0.045 0.000 1.046 321 K CA 1.228 57.482 56.287 -0.054 0.000 0.952 321 K CB -0.003 32.474 32.500 -0.038 0.000 0.753 321 K HN 0.594 nan 8.250 nan 0.000 0.466 322 R N -0.537 119.942 120.500 -0.035 0.000 3.513 322 R HA 0.075 4.415 4.340 0.000 0.000 0.243 322 R C -1.810 174.479 176.300 -0.018 0.000 1.033 322 R CA -0.512 55.572 56.100 -0.026 0.000 1.083 322 R CB 1.028 31.315 30.300 -0.022 0.000 1.246 322 R HN -0.040 nan 8.270 nan 0.000 0.526 323 V N 0.463 120.368 119.914 -0.015 0.000 3.001 323 V HA 0.944 5.064 4.120 0.000 0.000 0.314 323 V C -1.213 174.869 176.094 -0.019 0.000 1.099 323 V CA -0.652 61.639 62.300 -0.016 0.000 0.989 323 V CB 2.334 34.153 31.823 -0.006 0.000 1.040 323 V HN 0.434 nan 8.190 nan 0.000 0.434 324 V N 4.175 124.068 119.914 -0.036 0.000 2.610 324 V HA 0.536 4.656 4.120 0.000 0.000 0.298 324 V C -0.657 175.409 176.094 -0.047 0.000 1.067 324 V CA -0.128 62.156 62.300 -0.026 0.000 0.894 324 V CB 1.506 33.315 31.823 -0.023 0.000 1.015 324 V HN 0.856 nan 8.190 nan 0.000 0.432 325 I N 6.133 126.700 120.570 -0.006 0.000 2.418 325 I HA 0.518 4.688 4.170 0.000 0.000 0.287 325 I C 0.104 176.284 176.117 0.104 0.000 1.008 325 I CA -0.385 60.916 61.300 0.001 0.000 1.104 325 I CB 1.800 39.818 38.000 0.029 0.000 1.264 325 I HN 0.789 nan 8.210 nan 0.000 0.438 326 N N 6.015 124.734 118.700 0.032 0.000 3.040 326 N HA 0.250 4.990 4.740 0.000 0.000 0.339 326 N C 0.741 176.098 175.510 -0.255 0.000 1.387 326 N CA -0.723 52.381 53.050 0.090 0.000 0.745 326 N CB 0.746 39.257 38.487 0.040 0.000 1.237 326 N HN 0.445 nan 8.380 nan 0.000 0.565 327 K N -0.412 119.810 120.400 -0.296 0.000 2.147 327 K HA -0.155 4.165 4.320 0.000 0.000 0.205 327 K C -0.538 175.727 176.600 -0.559 0.000 1.049 327 K CA 2.211 58.075 56.287 -0.704 0.000 0.936 327 K CB -0.193 32.186 32.500 -0.201 0.000 0.722 327 K HN 0.707 nan 8.250 nan 0.000 0.446 328 D N -1.238 118.980 120.400 -0.303 0.000 2.996 328 D HA 0.119 4.759 4.640 0.000 0.000 0.343 328 D C -1.141 175.072 176.300 -0.145 0.000 1.574 328 D CA -0.466 53.415 54.000 -0.199 0.000 0.773 328 D CB 0.928 41.656 40.800 -0.120 0.000 1.241 328 D HN -0.155 nan 8.370 nan 0.000 0.469 329 T N -0.048 114.397 114.554 -0.182 0.000 3.705 329 T HA 0.408 4.758 4.350 0.000 0.000 0.342 329 T C -0.974 173.564 174.700 -0.269 0.000 1.043 329 T CA -0.446 61.540 62.100 -0.190 0.000 1.071 329 T CB 1.827 70.624 68.868 -0.119 0.000 1.124 329 T HN -0.072 nan 8.240 nan 0.000 0.467 330 T N 2.662 116.916 114.554 -0.500 0.000 2.794 330 T HA 0.691 5.041 4.350 0.000 0.000 0.280 330 T C -0.081 174.246 174.700 -0.623 0.000 0.987 330 T CA -0.535 61.181 62.100 -0.640 0.000 0.993 330 T CB 1.419 69.602 68.868 -1.141 0.000 0.939 330 T HN 0.637 nan 8.240 nan 0.000 0.449 331 T N 3.686 118.044 114.554 -0.326 0.000 3.050 331 T HA 0.532 4.882 4.350 0.000 0.000 0.310 331 T C -0.495 174.150 174.700 -0.092 0.000 0.978 331 T CA -0.691 61.294 62.100 -0.192 0.000 1.013 331 T CB -0.056 68.737 68.868 -0.125 0.000 1.000 331 T HN 0.477 nan 8.240 nan 0.000 0.447 332 I N 5.689 126.241 120.570 -0.029 0.000 2.441 332 I HA 0.424 4.594 4.170 0.000 0.000 0.287 332 I C -0.001 176.120 176.117 0.007 0.000 1.049 332 I CA -0.705 60.605 61.300 0.016 0.000 1.381 332 I CB 1.105 39.151 38.000 0.077 0.000 1.409 332 I HN 0.568 nan 8.210 nan 0.000 0.523 333 I N 5.593 126.161 120.570 -0.003 0.000 2.389 333 I HA 0.263 4.434 4.170 0.000 0.000 0.288 333 I C -0.649 175.463 176.117 -0.008 0.000 0.999 333 I CA -0.586 60.710 61.300 -0.007 0.000 1.129 333 I CB 1.442 39.434 38.000 -0.015 0.000 1.288 333 I HN 0.589 nan 8.210 nan 0.000 0.444 334 D N 4.885 125.282 120.400 -0.005 0.000 4.844 334 D HA -0.112 4.528 4.640 0.000 0.000 0.239 334 D C -0.265 176.031 176.300 -0.007 0.000 1.115 334 D CA 0.886 54.881 54.000 -0.007 0.000 1.241 334 D CB 0.143 40.935 40.800 -0.014 0.000 0.748 334 D HN 0.852 nan 8.370 nan 0.000 0.368 335 G N 1.777 110.577 108.800 -0.000 0.000 2.371 335 G HA2 0.485 4.445 3.960 0.000 0.000 0.326 335 G HA3 0.485 4.445 3.960 0.000 0.000 0.326 335 G C 1.206 176.106 174.900 -0.001 0.000 1.127 335 G CA -0.539 44.563 45.100 0.002 0.000 0.885 335 G HN 0.368 nan 8.290 nan 0.000 0.477 336 V N 2.191 122.103 119.914 -0.003 0.000 3.488 336 V HA 0.039 4.159 4.120 0.000 0.000 0.273 336 V C 1.934 178.032 176.094 0.006 0.000 1.209 336 V CA 0.596 62.895 62.300 -0.002 0.000 1.179 336 V CB -1.242 30.579 31.823 -0.003 0.000 0.842 336 V HN 0.752 nan 8.190 nan 0.000 0.515 337 G N 0.817 109.621 108.800 0.008 0.000 2.353 337 G HA2 0.131 4.091 3.960 0.000 0.000 0.239 337 G HA3 0.131 4.091 3.960 0.000 0.000 0.239 337 G C 0.035 174.939 174.900 0.006 0.000 1.295 337 G CA -0.368 44.737 45.100 0.009 0.000 0.884 337 G HN 0.329 nan 8.290 nan 0.000 0.537 338 E N 2.162 122.365 120.200 0.006 0.000 2.415 338 E HA -0.027 4.323 4.350 0.000 0.000 0.260 338 E C 1.334 177.935 176.600 0.002 0.000 1.016 338 E CA -0.076 56.327 56.400 0.004 0.000 0.924 338 E CB 0.747 30.449 29.700 0.004 0.000 0.961 338 E HN 0.613 nan 8.360 nan 0.000 0.459 339 E N 2.107 122.308 120.200 0.001 0.000 2.333 339 E HA -0.210 4.140 4.350 0.000 0.000 0.200 339 E C 1.265 177.865 176.600 -0.000 0.000 1.010 339 E CA 1.206 57.607 56.400 0.000 0.000 0.841 339 E CB -0.023 29.677 29.700 -0.000 0.000 0.757 339 E HN 0.503 nan 8.360 nan 0.000 0.508 340 A N 0.750 123.570 122.820 0.000 0.000 2.063 340 A HA 0.396 4.716 4.320 0.000 0.000 0.211 340 A C 2.289 179.873 177.584 -0.001 0.000 1.177 340 A CA 0.754 52.790 52.037 -0.001 0.000 0.759 340 A CB 0.073 19.073 19.000 -0.000 0.000 0.857 340 A HN 0.238 nan 8.150 nan 0.000 0.468 341 A N 0.300 123.120 122.820 0.000 0.000 1.898 341 A HA 0.082 4.402 4.320 0.000 0.000 0.214 341 A C 2.011 179.594 177.584 -0.002 0.000 1.183 341 A CA 1.198 53.235 52.037 -0.000 0.000 0.622 341 A CB -0.493 18.508 19.000 0.001 0.000 0.824 341 A HN 0.426 nan 8.150 nan 0.000 0.444 342 I N -0.683 119.886 120.570 -0.001 0.000 2.142 342 I HA -0.272 3.898 4.170 0.000 0.000 0.240 342 I C 2.723 178.838 176.117 -0.003 0.000 1.078 342 I CA 1.790 63.089 61.300 -0.001 0.000 1.343 342 I CB -0.351 37.649 38.000 0.000 0.000 1.046 342 I HN 0.356 nan 8.210 nan 0.000 0.405 343 Q N 1.488 121.286 119.800 -0.003 0.000 2.197 343 Q HA -0.169 4.171 4.340 0.000 0.000 0.207 343 Q C 1.970 177.967 176.000 -0.005 0.000 0.984 343 Q CA 2.075 57.876 55.803 -0.004 0.000 0.869 343 Q CB -0.736 28.000 28.738 -0.003 0.000 0.906 343 Q HN 0.513 nan 8.270 nan 0.000 0.426 344 G N -0.561 108.236 108.800 -0.005 0.000 2.484 344 G HA2 -0.228 3.732 3.960 0.000 0.000 0.218 344 G HA3 -0.228 3.732 3.960 0.000 0.000 0.218 344 G C 1.544 176.440 174.900 -0.007 0.000 1.130 344 G CA 0.613 45.709 45.100 -0.006 0.000 0.784 344 G HN 0.329 nan 8.290 nan 0.000 0.543 345 R N 0.406 120.901 120.500 -0.008 0.000 2.073 345 R HA 0.056 4.396 4.340 0.000 0.000 0.229 345 R C 2.439 178.732 176.300 -0.012 0.000 1.120 345 R CA 1.139 57.233 56.100 -0.011 0.000 0.967 345 R CB -0.875 29.419 30.300 -0.011 0.000 0.862 345 R HN 0.127 nan 8.270 nan 0.000 0.436 346 V N 1.381 121.289 119.914 -0.011 0.000 2.688 346 V HA -0.229 3.891 4.120 0.000 0.000 0.256 346 V C 2.263 178.350 176.094 -0.012 0.000 1.084 346 V CA 1.703 63.996 62.300 -0.011 0.000 1.103 346 V CB -1.006 30.812 31.823 -0.009 0.000 0.688 346 V HN 0.526 nan 8.190 nan 0.000 0.480 347 A N -0.508 122.305 122.820 -0.010 0.000 1.832 347 A HA -0.264 4.056 4.320 0.000 0.000 0.214 347 A C 2.193 179.770 177.584 -0.012 0.000 1.200 347 A CA 1.833 53.864 52.037 -0.010 0.000 0.610 347 A CB -0.545 18.450 19.000 -0.008 0.000 0.842 347 A HN 0.545 nan 8.150 nan 0.000 0.444 348 Q N -0.498 119.294 119.800 -0.013 0.000 2.096 348 Q HA -0.202 4.138 4.340 0.000 0.000 0.208 348 Q C 2.099 178.088 176.000 -0.018 0.000 0.993 348 Q CA 1.872 57.666 55.803 -0.015 0.000 0.862 348 Q CB -0.455 28.273 28.738 -0.016 0.000 0.915 348 Q HN 0.754 nan 8.270 nan 0.000 0.416 349 I N 0.116 120.674 120.570 -0.020 0.000 2.361 349 I HA -0.267 3.903 4.170 0.000 0.000 0.251 349 I C 2.210 178.313 176.117 -0.023 0.000 1.133 349 I CA 1.134 62.420 61.300 -0.024 0.000 1.413 349 I CB -0.246 37.739 38.000 -0.026 0.000 1.073 349 I HN 0.136 nan 8.210 nan 0.000 0.424 350 R N -0.006 120.484 120.500 -0.018 0.000 2.236 350 R HA -0.056 4.284 4.340 0.000 0.000 0.208 350 R C 2.230 178.521 176.300 -0.015 0.000 1.036 350 R CA 0.471 56.562 56.100 -0.016 0.000 1.001 350 R CB 0.065 30.357 30.300 -0.013 0.000 0.896 350 R HN 0.391 nan 8.270 nan 0.000 0.464 351 Q N 0.512 120.303 119.800 -0.015 0.000 2.061 351 Q HA -0.086 4.254 4.340 0.000 0.000 0.195 351 Q C 1.845 177.836 176.000 -0.015 0.000 0.967 351 Q CA 1.268 57.063 55.803 -0.013 0.000 0.829 351 Q CB 0.057 28.788 28.738 -0.012 0.000 0.900 351 Q HN 0.399 nan 8.270 nan 0.000 0.450 352 Q N 0.215 120.004 119.800 -0.019 0.000 2.368 352 Q HA -0.094 4.246 4.340 0.000 0.000 0.210 352 Q C 1.968 177.954 176.000 -0.023 0.000 0.982 352 Q CA 0.701 56.491 55.803 -0.022 0.000 0.884 352 Q CB -0.071 28.650 28.738 -0.027 0.000 0.933 352 Q HN 0.378 nan 8.270 nan 0.000 0.460 353 I N 0.320 120.877 120.570 -0.022 0.000 2.333 353 I HA -0.202 3.968 4.170 0.000 0.000 0.246 353 I C 2.068 178.176 176.117 -0.016 0.000 1.106 353 I CA 0.733 62.020 61.300 -0.022 0.000 1.411 353 I CB -0.104 37.883 38.000 -0.021 0.000 1.082 353 I HN 0.171 nan 8.210 nan 0.000 0.420 354 E N 1.269 121.462 120.200 -0.013 0.000 2.047 354 E HA -0.177 4.173 4.350 0.000 0.000 0.191 354 E C 1.229 177.825 176.600 -0.008 0.000 0.987 354 E CA 1.030 57.424 56.400 -0.009 0.000 0.799 354 E CB -0.362 29.333 29.700 -0.008 0.000 0.752 354 E HN 0.567 nan 8.360 nan 0.000 0.449 355 E N 0.948 121.142 120.200 -0.009 0.000 2.379 355 E HA 0.200 4.550 4.350 0.000 0.000 0.209 355 E C -0.318 176.277 176.600 -0.008 0.000 1.284 355 E CA -0.229 56.167 56.400 -0.008 0.000 1.333 355 E CB -0.008 29.687 29.700 -0.009 0.000 1.307 355 E HN 0.050 nan 8.360 nan 0.000 0.441 356 A N 1.565 124.381 122.820 -0.007 0.000 2.341 356 A HA 0.166 4.486 4.320 0.000 0.000 0.326 356 A C 0.855 178.441 177.584 0.003 0.000 1.402 356 A CA -0.767 51.267 52.037 -0.005 0.000 0.957 356 A CB 0.018 19.011 19.000 -0.011 0.000 1.151 356 A HN 0.200 nan 8.150 nan 0.000 0.533 357 T N -0.605 113.953 114.554 0.007 0.000 3.535 357 T HA 0.429 4.779 4.350 0.000 0.000 0.238 357 T C 0.342 175.054 174.700 0.021 0.000 0.909 357 T CA 0.373 62.480 62.100 0.011 0.000 0.928 357 T CB -0.766 68.107 68.868 0.010 0.000 1.134 357 T HN 0.823 nan 8.240 nan 0.000 0.627 358 S N -1.031 114.684 115.700 0.025 0.000 2.655 358 S HA 0.295 4.766 4.470 0.000 0.000 0.266 358 S C -0.555 174.071 174.600 0.043 0.000 1.149 358 S CA -0.475 57.750 58.200 0.043 0.000 0.818 358 S CB 1.408 64.648 63.200 0.067 0.000 1.130 358 S HN 0.266 nan 8.310 nan 0.000 0.476 359 D N -0.395 120.046 120.400 0.068 0.000 2.566 359 D HA -0.005 4.635 4.640 0.000 0.000 0.253 359 D C 1.590 177.940 176.300 0.083 0.000 0.992 359 D CA 0.572 54.609 54.000 0.062 0.000 0.940 359 D CB -0.252 40.587 40.800 0.064 0.000 1.095 359 D HN 0.530 nan 8.370 nan 0.000 0.480 360 Y N 2.396 122.698 120.300 0.003 0.000 2.081 360 Y HA -0.244 4.306 4.550 0.000 0.000 0.280 360 Y C 1.489 177.388 175.900 -0.001 0.000 1.163 360 Y CA 2.578 60.680 58.100 0.004 0.000 1.135 360 Y CB -0.652 37.812 38.460 0.007 0.000 0.970 360 Y HN -0.073 nan 8.280 nan 0.000 0.498 361 D N -0.467 119.926 120.400 -0.011 0.000 2.315 361 D HA -0.180 4.460 4.640 0.000 0.000 0.211 361 D C 2.147 178.367 176.300 -0.134 0.000 0.977 361 D CA 1.360 55.295 54.000 -0.108 0.000 0.894 361 D CB -0.187 40.616 40.800 0.005 0.000 0.910 361 D HN 0.403 nan 8.370 nan 0.000 0.490 362 R N 0.361 120.803 120.500 -0.097 0.000 2.055 362 R HA 0.010 4.350 4.340 0.000 0.000 0.221 362 R C 1.875 178.114 176.300 -0.102 0.000 1.154 362 R CA 0.595 56.649 56.100 -0.076 0.000 0.975 362 R CB 0.101 30.380 30.300 -0.034 0.000 0.869 362 R HN 0.069 nan 8.270 nan 0.000 0.437 363 E N 0.539 120.676 120.200 -0.105 0.000 2.136 363 E HA -0.251 4.099 4.350 0.000 0.000 0.202 363 E C 1.915 178.432 176.600 -0.138 0.000 1.019 363 E CA 1.369 57.709 56.400 -0.098 0.000 0.819 363 E CB 0.060 29.716 29.700 -0.074 0.000 0.739 363 E HN 0.147 nan 8.360 nan 0.000 0.458 364 K N 0.467 120.720 120.400 -0.245 0.000 2.097 364 K HA -0.107 4.213 4.320 0.000 0.000 0.206 364 K C 2.139 178.654 176.600 -0.141 0.000 1.049 364 K CA 0.808 56.957 56.287 -0.230 0.000 0.933 364 K CB -0.305 31.976 32.500 -0.365 0.000 0.717 364 K HN 0.255 nan 8.250 nan 0.000 0.442 365 L N 0.851 121.998 121.223 -0.126 0.000 2.291 365 L HA -0.135 4.205 4.340 0.000 0.000 0.214 365 L C 2.396 179.230 176.870 -0.060 0.000 1.120 365 L CA 0.861 55.651 54.840 -0.083 0.000 0.799 365 L CB -0.241 41.775 42.059 -0.072 0.000 0.925 365 L HN 0.257 nan 8.230 nan 0.000 0.446 366 Q N -0.204 119.561 119.800 -0.058 0.000 2.096 366 Q HA -0.159 4.182 4.340 0.000 0.000 0.197 366 Q C 1.922 177.903 176.000 -0.032 0.000 0.964 366 Q CA 0.929 56.709 55.803 -0.038 0.000 0.838 366 Q CB 0.080 28.798 28.738 -0.033 0.000 0.906 366 Q HN 0.515 nan 8.270 nan 0.000 0.444 367 E N 0.664 120.842 120.200 -0.038 0.000 2.118 367 E HA -0.188 4.162 4.350 0.000 0.000 0.195 367 E C 2.071 178.660 176.600 -0.018 0.000 0.992 367 E CA 0.780 57.166 56.400 -0.023 0.000 0.804 367 E CB 0.045 29.730 29.700 -0.025 0.000 0.741 367 E HN 0.206 nan 8.360 nan 0.000 0.458 368 R N 0.261 120.743 120.500 -0.030 0.000 2.075 368 R HA -0.122 4.218 4.340 0.000 0.000 0.232 368 R C 2.650 178.940 176.300 -0.017 0.000 1.126 368 R CA 1.577 57.662 56.100 -0.025 0.000 0.963 368 R CB -0.410 29.867 30.300 -0.039 0.000 0.858 368 R HN 0.219 nan 8.270 nan 0.000 0.435 369 V N -1.965 117.938 119.914 -0.019 0.000 2.453 369 V HA -0.029 4.091 4.120 0.000 0.000 0.247 369 V C 2.334 178.423 176.094 -0.007 0.000 1.048 369 V CA 1.553 63.845 62.300 -0.014 0.000 1.049 369 V CB -0.960 30.854 31.823 -0.015 0.000 0.672 369 V HN 0.201 nan 8.190 nan 0.000 0.457 370 A N 0.970 123.786 122.820 -0.007 0.000 1.908 370 A HA -0.219 4.101 4.320 0.000 0.000 0.218 370 A C 2.339 179.925 177.584 0.004 0.000 1.181 370 A CA 2.459 54.495 52.037 -0.002 0.000 0.627 370 A CB -0.559 18.440 19.000 -0.002 0.000 0.818 370 A HN 0.645 nan 8.150 nan 0.000 0.445 371 K N -1.169 119.236 120.400 0.009 0.000 1.980 371 K HA -0.025 4.295 4.320 0.000 0.000 0.208 371 K C 1.783 178.393 176.600 0.017 0.000 1.043 371 K CA 1.213 57.513 56.287 0.021 0.000 0.938 371 K CB -0.459 32.062 32.500 0.035 0.000 0.724 371 K HN 0.322 nan 8.250 nan 0.000 0.438 372 L N 0.578 121.807 121.223 0.011 0.000 2.447 372 L HA -0.118 4.222 4.340 0.000 0.000 0.225 372 L C 1.643 178.515 176.870 0.004 0.000 1.148 372 L CA 1.338 56.182 54.840 0.007 0.000 0.808 372 L CB -0.312 41.747 42.059 -0.001 0.000 0.928 372 L HN 0.190 nan 8.230 nan 0.000 0.448 373 A N -2.300 120.522 122.820 0.002 0.000 2.074 373 A HA 0.377 4.697 4.320 0.000 0.000 0.200 373 A C 2.105 179.690 177.584 0.001 0.000 1.335 373 A CA 0.405 52.442 52.037 0.000 0.000 0.922 373 A CB -0.635 18.363 19.000 -0.003 0.000 0.972 373 A HN 0.327 nan 8.150 nan 0.000 0.475 374 G N -0.154 108.647 108.800 0.002 0.000 2.534 374 G HA2 0.369 4.329 3.960 0.000 0.000 0.217 374 G HA3 0.369 4.329 3.960 0.000 0.000 0.217 374 G C 1.189 176.090 174.900 0.001 0.000 1.128 374 G CA 0.792 45.892 45.100 0.001 0.000 0.784 374 G HN 1.567 nan 8.290 nan 0.000 0.542 375 G N -1.294 107.508 108.800 0.004 0.000 2.633 375 G HA2 -0.090 3.870 3.960 0.000 0.000 0.263 375 G HA3 -0.090 3.870 3.960 0.000 0.000 0.263 375 G C -0.409 174.491 174.900 0.000 0.000 1.310 375 G CA 0.023 45.124 45.100 0.003 0.000 0.914 375 G HN 1.046 nan 8.290 nan 0.000 0.569 376 V N 0.011 119.923 119.914 -0.004 0.000 2.709 376 V HA 0.755 4.875 4.120 0.000 0.000 0.308 376 V C 0.755 176.842 176.094 -0.013 0.000 1.062 376 V CA -0.183 62.111 62.300 -0.009 0.000 0.901 376 V CB 1.423 33.240 31.823 -0.011 0.000 1.003 376 V HN 2.067 nan 8.190 nan 0.000 0.425 377 A N 3.287 126.097 122.820 -0.017 0.000 2.340 377 A HA 0.748 5.068 4.320 0.000 0.000 0.268 377 A C -0.429 177.143 177.584 -0.020 0.000 1.100 377 A CA -0.313 51.714 52.037 -0.018 0.000 0.803 377 A CB 0.862 19.849 19.000 -0.020 0.000 1.043 377 A HN 0.955 nan 8.150 nan 0.000 0.488 378 V N 4.599 124.503 119.914 -0.017 0.000 2.443 378 V HA 0.190 4.310 4.120 0.000 0.000 0.272 378 V C -0.346 175.739 176.094 -0.015 0.000 1.002 378 V CA -0.078 62.212 62.300 -0.017 0.000 0.840 378 V CB 0.520 32.334 31.823 -0.015 0.000 1.042 378 V HN 0.754 nan 8.190 nan 0.000 0.446 379 I N 3.752 124.312 120.570 -0.017 0.000 2.556 379 I HA 0.250 4.420 4.170 0.000 0.000 0.284 379 I C 0.460 176.570 176.117 -0.012 0.000 1.114 379 I CA 0.165 61.456 61.300 -0.014 0.000 1.418 379 I CB 0.585 38.575 38.000 -0.016 0.000 1.394 379 I HN 0.437 nan 8.210 nan 0.000 0.552 380 K N 6.112 126.506 120.400 -0.009 0.000 2.464 380 K HA 0.396 4.716 4.320 0.000 0.000 0.252 380 K C -0.939 175.657 176.600 -0.006 0.000 1.000 380 K CA -0.671 55.611 56.287 -0.008 0.000 0.951 380 K CB 1.751 34.247 32.500 -0.007 0.000 1.183 380 K HN 0.333 nan 8.250 nan 0.000 0.445 381 V N 2.359 122.270 119.914 -0.005 0.000 2.540 381 V HA 0.114 4.234 4.120 0.000 0.000 0.297 381 V C 0.929 177.021 176.094 -0.003 0.000 1.024 381 V CA -0.073 62.225 62.300 -0.004 0.000 1.105 381 V CB 0.735 32.557 31.823 -0.002 0.000 0.938 381 V HN 0.875 nan 8.190 nan 0.000 0.482 382 G N 2.796 111.595 108.800 -0.003 0.000 2.432 382 G HA2 0.839 4.799 3.960 0.000 0.000 0.331 382 G HA3 0.839 4.799 3.960 0.000 0.000 0.331 382 G C -0.560 174.339 174.900 -0.002 0.000 1.170 382 G CA 0.049 45.148 45.100 -0.003 0.000 0.943 382 G HN 1.174 nan 8.290 nan 0.000 0.483 383 A N -0.169 122.650 122.820 -0.002 0.000 2.534 383 A HA 0.848 5.168 4.320 0.000 0.000 0.300 383 A C 0.873 178.456 177.584 -0.002 0.000 1.223 383 A CA 0.414 52.450 52.037 -0.002 0.000 0.666 383 A CB 0.538 19.537 19.000 -0.001 0.000 1.316 383 A HN 1.741 nan 8.150 nan 0.000 0.468 384 A N -0.881 121.938 122.820 -0.001 0.000 1.943 384 A HA 0.453 4.773 4.320 0.000 0.000 0.213 384 A C 1.246 178.829 177.584 -0.001 0.000 1.181 384 A CA 2.192 54.228 52.037 -0.001 0.000 0.653 384 A CB -0.546 18.453 19.000 -0.001 0.000 0.833 384 A HN 1.945 nan 8.150 nan 0.000 0.451 385 T N -4.537 110.017 114.554 -0.001 0.000 2.907 385 T HA 0.457 4.807 4.350 0.000 0.000 0.290 385 T C 0.564 175.264 174.700 -0.001 0.000 1.066 385 T CA 0.083 62.182 62.100 -0.001 0.000 1.012 385 T CB 1.802 70.670 68.868 -0.001 0.000 1.184 385 T HN 0.217 nan 8.240 nan 0.000 0.522 386 E N -0.040 120.160 120.200 -0.000 0.000 2.051 386 E HA -0.133 4.217 4.350 0.000 0.000 0.192 386 E C 1.949 178.549 176.600 0.000 0.000 0.991 386 E CA 1.442 57.842 56.400 -0.000 0.000 0.799 386 E CB -0.227 29.473 29.700 0.000 0.000 0.748 386 E HN 0.517 nan 8.360 nan 0.000 0.449 387 V N 1.609 121.524 119.914 0.000 0.000 2.255 387 V HA -0.287 3.833 4.120 0.000 0.000 0.247 387 V C 2.290 178.384 176.094 0.000 0.000 1.051 387 V CA 2.266 64.566 62.300 0.001 0.000 1.018 387 V CB -0.677 31.146 31.823 0.000 0.000 0.641 387 V HN 0.322 nan 8.190 nan 0.000 0.445 388 E N -0.621 119.579 120.200 0.000 0.000 2.086 388 E HA -0.307 4.043 4.350 0.000 0.000 0.200 388 E C 2.188 178.788 176.600 0.000 0.000 1.012 388 E CA 1.907 58.307 56.400 -0.000 0.000 0.812 388 E CB -0.249 29.450 29.700 -0.001 0.000 0.743 388 E HN 0.447 nan 8.360 nan 0.000 0.453 389 M N 1.126 120.726 119.600 0.000 0.000 2.091 389 M HA -0.174 4.306 4.480 0.000 0.000 0.259 389 M C 1.896 178.196 176.300 0.001 0.000 1.076 389 M CA 1.618 56.918 55.300 0.000 0.000 1.111 389 M CB -0.460 32.140 32.600 -0.000 0.000 1.291 389 M HN -0.149 nan 8.290 nan 0.000 0.417 390 K N 0.472 120.873 120.400 0.001 0.000 2.242 390 K HA -0.217 4.103 4.320 0.000 0.000 0.206 390 K C 1.914 178.516 176.600 0.003 0.000 1.045 390 K CA 1.390 57.678 56.287 0.002 0.000 0.930 390 K CB -0.555 31.947 32.500 0.002 0.000 0.726 390 K HN 0.500 nan 8.250 nan 0.000 0.462 391 E N 1.083 121.285 120.200 0.003 0.000 2.086 391 E HA -0.110 4.240 4.350 0.000 0.000 0.190 391 E C 1.918 178.520 176.600 0.003 0.000 0.975 391 E CA 0.915 57.317 56.400 0.003 0.000 0.813 391 E CB 0.092 29.793 29.700 0.002 0.000 0.768 391 E HN 0.211 nan 8.360 nan 0.000 0.457 392 K N 1.190 121.592 120.400 0.002 0.000 2.026 392 K HA -0.166 4.154 4.320 0.000 0.000 0.208 392 K C 2.261 178.864 176.600 0.004 0.000 1.048 392 K CA 1.662 57.951 56.287 0.002 0.000 0.929 392 K CB -0.172 32.328 32.500 0.001 0.000 0.713 392 K HN -0.083 nan 8.250 nan 0.000 0.439 393 K N -0.005 120.398 120.400 0.004 0.000 2.362 393 K HA -0.137 4.184 4.320 0.000 0.000 0.202 393 K C 1.489 178.095 176.600 0.010 0.000 1.045 393 K CA 1.171 57.461 56.287 0.005 0.000 0.936 393 K CB -0.057 32.446 32.500 0.004 0.000 0.747 393 K HN 0.260 nan 8.250 nan 0.000 0.467 394 A N 0.619 123.445 122.820 0.010 0.000 2.081 394 A HA 0.045 4.365 4.320 0.000 0.000 0.214 394 A C 1.899 179.493 177.584 0.017 0.000 1.158 394 A CA 0.359 52.405 52.037 0.014 0.000 0.724 394 A CB -0.043 18.963 19.000 0.010 0.000 0.826 394 A HN 0.263 nan 8.150 nan 0.000 0.463 395 R N -0.859 119.649 120.500 0.013 0.000 2.075 395 R HA 0.037 4.377 4.340 0.000 0.000 0.220 395 R C 1.902 178.212 176.300 0.016 0.000 1.118 395 R CA 1.120 57.228 56.100 0.014 0.000 0.986 395 R CB -0.305 30.000 30.300 0.008 0.000 0.884 395 R HN 0.308 nan 8.270 nan 0.000 0.439 396 V N 1.384 121.304 119.914 0.011 0.000 2.469 396 V HA -0.241 3.879 4.120 0.000 0.000 0.251 396 V C 2.090 178.190 176.094 0.011 0.000 1.064 396 V CA 1.805 64.109 62.300 0.006 0.000 1.066 396 V CB -0.390 31.433 31.823 0.001 0.000 0.667 396 V HN 0.371 nan 8.190 nan 0.000 0.461 397 E N -0.613 119.601 120.200 0.022 0.000 2.112 397 E HA -0.177 4.173 4.350 0.000 0.000 0.190 397 E C 1.732 178.389 176.600 0.094 0.000 0.979 397 E CA 0.849 57.273 56.400 0.041 0.000 0.814 397 E CB 0.057 29.784 29.700 0.046 0.000 0.762 397 E HN 0.560 nan 8.360 nan 0.000 0.460 398 D N -0.799 119.648 120.400 0.079 0.000 2.348 398 D HA 0.031 4.671 4.640 0.000 0.000 0.211 398 D C 1.266 177.619 176.300 0.088 0.000 0.998 398 D CA 0.411 54.468 54.000 0.096 0.000 0.873 398 D CB 0.584 41.412 40.800 0.047 0.000 0.925 398 D HN 0.161 nan 8.370 nan 0.000 0.524 399 A N 0.421 123.275 122.820 0.056 0.000 2.044 399 A HA 0.016 4.336 4.320 0.000 0.000 0.213 399 A C 1.941 179.544 177.584 0.032 0.000 1.169 399 A CA 0.062 52.123 52.037 0.039 0.000 0.724 399 A CB -0.167 18.845 19.000 0.020 0.000 0.840 399 A HN 0.168 nan 8.150 nan 0.000 0.463 400 L N -0.825 120.404 121.223 0.011 0.000 2.265 400 L HA -0.123 4.217 4.340 0.000 0.000 0.215 400 L C 2.094 178.920 176.870 -0.073 0.000 1.117 400 L CA 1.750 56.563 54.840 -0.046 0.000 0.782 400 L CB -0.558 41.447 42.059 -0.090 0.000 0.914 400 L HN 0.481 nan 8.230 nan 0.000 0.441 401 H N -1.240 117.828 119.070 -0.002 0.000 2.384 401 H HA 0.193 4.749 4.556 0.000 0.000 0.300 401 H C 2.101 177.430 175.328 0.001 0.000 1.057 401 H CA 1.062 57.110 56.048 -0.001 0.000 1.370 401 H CB 0.110 29.871 29.762 -0.002 0.000 1.417 401 H HN 0.434 nan 8.280 nan 0.000 0.527 402 A N 0.080 122.979 122.820 0.132 0.000 1.969 402 A HA -0.123 4.197 4.320 0.000 0.000 0.218 402 A C 2.546 180.159 177.584 0.049 0.000 1.169 402 A CA 1.794 53.876 52.037 0.074 0.000 0.635 402 A CB -0.677 18.353 19.000 0.049 0.000 0.810 402 A HN 0.323 nan 8.150 nan 0.000 0.445 403 T N -0.641 113.934 114.554 0.035 0.000 2.668 403 T HA -0.107 4.243 4.350 0.000 0.000 0.262 403 T C 2.144 176.853 174.700 0.015 0.000 1.045 403 T CA 1.174 63.284 62.100 0.016 0.000 1.152 403 T CB -0.245 68.624 68.868 0.001 0.000 0.864 403 T HN 0.320 nan 8.240 nan 0.000 0.419 404 R N 1.179 121.683 120.500 0.008 0.000 2.153 404 R HA -0.100 4.240 4.340 0.000 0.000 0.252 404 R C 2.479 178.795 176.300 0.028 0.000 1.158 404 R CA 1.583 57.688 56.100 0.009 0.000 0.975 404 R CB -1.076 29.224 30.300 0.000 0.000 0.871 404 R HN 0.456 nan 8.270 nan 0.000 0.450 405 A N 0.023 122.870 122.820 0.045 0.000 2.015 405 A HA 0.032 4.352 4.320 0.000 0.000 0.219 405 A C 2.236 179.838 177.584 0.030 0.000 1.163 405 A CA 1.565 53.629 52.037 0.044 0.000 0.646 405 A CB -0.236 18.796 19.000 0.053 0.000 0.806 405 A HN 0.374 nan 8.150 nan 0.000 0.448 406 A N -0.959 121.876 122.820 0.025 0.000 1.871 406 A HA 0.178 4.498 4.320 0.000 0.000 0.211 406 A C 2.092 179.685 177.584 0.015 0.000 1.207 406 A CA 1.106 53.154 52.037 0.019 0.000 0.620 406 A CB -0.916 18.094 19.000 0.016 0.000 0.860 406 A HN 0.299 nan 8.150 nan 0.000 0.450 407 V N 0.679 120.600 119.914 0.013 0.000 2.370 407 V HA -0.345 3.776 4.120 0.000 0.000 0.252 407 V C 2.479 178.579 176.094 0.011 0.000 1.068 407 V CA 2.618 64.924 62.300 0.009 0.000 1.061 407 V CB -0.685 31.141 31.823 0.005 0.000 0.656 407 V HN 0.647 nan 8.190 nan 0.000 0.455 408 E N -0.725 119.484 120.200 0.015 0.000 2.028 408 E HA -0.151 4.199 4.350 0.000 0.000 0.190 408 E C 1.695 178.304 176.600 0.015 0.000 0.984 408 E CA 1.377 57.787 56.400 0.016 0.000 0.800 408 E CB -0.008 29.704 29.700 0.021 0.000 0.758 408 E HN 0.664 nan 8.360 nan 0.000 0.448 409 E N -0.681 119.529 120.200 0.016 0.000 2.676 409 E HA 0.241 4.591 4.350 0.000 0.000 0.222 409 E C 0.087 176.696 176.600 0.014 0.000 0.968 409 E CA 0.084 56.493 56.400 0.015 0.000 1.090 409 E CB 1.677 31.386 29.700 0.015 0.000 1.066 409 E HN 0.248 nan 8.360 nan 0.000 0.496 410 G N 1.143 109.952 108.800 0.014 0.000 2.728 410 G HA2 -0.176 3.784 3.960 0.000 0.000 0.294 410 G HA3 -0.176 3.784 3.960 0.000 0.000 0.294 410 G C -0.451 174.458 174.900 0.015 0.000 1.342 410 G CA -0.487 44.621 45.100 0.014 0.000 0.866 410 G HN 0.522 nan 8.290 nan 0.000 0.534 411 V N -2.214 117.709 119.914 0.015 0.000 3.040 411 V HA 0.996 5.116 4.120 0.000 0.000 0.312 411 V C 0.491 176.594 176.094 0.016 0.000 1.115 411 V CA 0.398 62.707 62.300 0.015 0.000 0.998 411 V CB 1.497 33.329 31.823 0.014 0.000 1.042 411 V HN 2.559 nan 8.190 nan 0.000 0.433 412 V N 0.084 120.008 119.914 0.016 0.000 3.156 412 V HA 1.022 5.142 4.120 0.000 0.000 0.310 412 V C 0.442 176.545 176.094 0.016 0.000 1.234 412 V CA -0.658 61.653 62.300 0.018 0.000 1.065 412 V CB 1.275 33.109 31.823 0.019 0.000 1.088 412 V HN 2.238 nan 8.190 nan 0.000 0.451 413 A N 0.557 123.388 122.820 0.019 0.000 2.520 413 A HA 0.656 4.976 4.320 0.000 0.000 0.245 413 A C 0.843 178.431 177.584 0.008 0.000 1.072 413 A CA 0.626 52.670 52.037 0.013 0.000 0.761 413 A CB -0.515 18.497 19.000 0.019 0.000 1.004 413 A HN 1.983 nan 8.150 nan 0.000 0.499 414 G N 0.690 109.489 108.800 -0.001 0.000 2.531 414 G HA2 0.505 4.465 3.960 0.000 0.000 0.253 414 G HA3 0.505 4.465 3.960 0.000 0.000 0.253 414 G C 1.139 176.036 174.900 -0.006 0.000 1.439 414 G CA -0.031 45.067 45.100 -0.003 0.000 1.056 414 G HN 2.226 nan 8.290 nan 0.000 0.555 415 G N -1.791 107.004 108.800 -0.008 0.000 2.258 415 G HA2 0.185 4.145 3.960 0.000 0.000 0.274 415 G HA3 0.185 4.145 3.960 0.000 0.000 0.274 415 G C 1.568 176.473 174.900 0.009 0.000 1.021 415 G CA 1.292 46.390 45.100 -0.004 0.000 0.798 415 G HN 2.427 nan 8.290 nan 0.000 0.507 416 G N -2.269 106.536 108.800 0.009 0.000 2.196 416 G HA2 -0.174 3.786 3.960 0.000 0.000 0.268 416 G HA3 -0.174 3.786 3.960 0.000 0.000 0.268 416 G C 1.981 176.891 174.900 0.017 0.000 0.975 416 G CA 2.175 47.282 45.100 0.013 0.000 0.648 416 G HN 2.235 nan 8.290 nan 0.000 0.538 417 V N -2.003 117.921 119.914 0.017 0.000 2.515 417 V HA 0.281 4.401 4.120 0.000 0.000 0.250 417 V C 2.858 178.970 176.094 0.030 0.000 1.058 417 V CA 2.039 64.354 62.300 0.024 0.000 1.064 417 V CB -1.013 30.821 31.823 0.019 0.000 0.675 417 V HN 1.415 nan 8.190 nan 0.000 0.461 418 A N 1.083 123.918 122.820 0.025 0.000 1.873 418 A HA -0.140 4.180 4.320 0.000 0.000 0.218 418 A C 2.260 179.860 177.584 0.026 0.000 1.193 418 A CA 2.462 54.516 52.037 0.027 0.000 0.629 418 A CB -0.831 18.183 19.000 0.022 0.000 0.826 418 A HN 0.604 nan 8.150 nan 0.000 0.447 419 L N -1.001 120.235 121.223 0.022 0.000 2.083 419 L HA -0.119 4.221 4.340 0.000 0.000 0.209 419 L C 2.479 179.363 176.870 0.022 0.000 1.083 419 L CA 1.336 56.188 54.840 0.020 0.000 0.752 419 L CB -0.331 41.738 42.059 0.017 0.000 0.899 419 L HN 0.486 nan 8.230 nan 0.000 0.433 420 I N -0.559 120.026 120.570 0.026 0.000 2.830 420 I HA -0.232 3.938 4.170 0.000 0.000 0.263 420 I C 2.641 178.780 176.117 0.037 0.000 1.230 420 I CA 0.507 61.824 61.300 0.028 0.000 1.480 420 I CB 0.045 38.062 38.000 0.029 0.000 1.095 420 I HN 0.202 nan 8.210 nan 0.000 0.455 421 R N 0.920 121.445 120.500 0.042 0.000 2.052 421 R HA -0.110 4.230 4.340 0.000 0.000 0.226 421 R C 2.140 178.462 176.300 0.036 0.000 1.145 421 R CA 2.488 58.617 56.100 0.049 0.000 0.952 421 R CB -1.117 29.216 30.300 0.055 0.000 0.847 421 R HN 0.292 nan 8.270 nan 0.000 0.431 422 V N -0.500 119.432 119.914 0.029 0.000 2.546 422 V HA -0.130 3.990 4.120 0.000 0.000 0.254 422 V C 2.206 178.311 176.094 0.019 0.000 1.076 422 V CA 1.792 64.106 62.300 0.022 0.000 1.087 422 V CB -1.519 30.314 31.823 0.017 0.000 0.674 422 V HN 0.393 nan 8.190 nan 0.000 0.470 423 A N 1.754 124.586 122.820 0.021 0.000 1.873 423 A HA -0.126 4.194 4.320 0.000 0.000 0.215 423 A C 2.582 180.177 177.584 0.018 0.000 1.186 423 A CA 2.293 54.340 52.037 0.017 0.000 0.616 423 A CB -0.957 18.053 19.000 0.018 0.000 0.823 423 A HN 0.880 nan 8.150 nan 0.000 0.442 424 S N -0.453 115.261 115.700 0.023 0.000 2.428 424 S HA -0.048 4.422 4.470 0.000 0.000 0.230 424 S C 1.538 176.150 174.600 0.019 0.000 1.014 424 S CA 1.258 59.472 58.200 0.023 0.000 0.957 424 S CB -0.298 62.921 63.200 0.031 0.000 0.784 424 S HN 0.512 nan 8.310 nan 0.000 0.499 425 K N 0.565 120.977 120.400 0.020 0.000 2.569 425 K HA 0.295 4.615 4.320 0.000 0.000 0.193 425 K C 0.090 176.697 176.600 0.012 0.000 1.026 425 K CA 0.215 56.512 56.287 0.017 0.000 1.093 425 K CB -0.150 32.361 32.500 0.018 0.000 0.849 425 K HN 0.444 nan 8.250 nan 0.000 0.509 426 L N -1.161 120.069 121.223 0.011 0.000 3.431 426 L HA 0.226 4.566 4.340 0.000 0.000 0.316 426 L C 1.200 178.075 176.870 0.007 0.000 1.305 426 L CA -0.175 54.670 54.840 0.008 0.000 0.995 426 L CB 0.827 42.891 42.059 0.007 0.000 1.411 426 L HN -0.029 nan 8.230 nan 0.000 0.610 427 A N -0.314 122.510 122.820 0.008 0.000 2.070 427 A HA -0.146 4.174 4.320 0.000 0.000 0.220 427 A C 1.340 178.927 177.584 0.005 0.000 1.159 427 A CA 1.584 53.625 52.037 0.007 0.000 0.656 427 A CB -0.160 18.844 19.000 0.007 0.000 0.800 427 A HN 0.382 nan 8.150 nan 0.000 0.453 428 D N -0.965 119.438 120.400 0.004 0.000 2.368 428 D HA 0.209 4.849 4.640 0.000 0.000 0.218 428 D C 0.026 176.327 176.300 0.003 0.000 1.112 428 D CA -0.286 53.716 54.000 0.003 0.000 0.834 428 D CB -0.014 40.788 40.800 0.003 0.000 0.953 428 D HN 0.310 nan 8.370 nan 0.000 0.505 429 L N 1.566 122.791 121.223 0.003 0.000 2.456 429 L HA 0.169 4.509 4.340 0.000 0.000 0.272 429 L C 0.152 177.023 176.870 0.002 0.000 1.189 429 L CA 0.568 55.409 54.840 0.002 0.000 0.846 429 L CB 0.230 42.291 42.059 0.003 0.000 1.111 429 L HN -0.193 nan 8.230 nan 0.000 0.475 430 R N 2.642 123.143 120.500 0.001 0.000 2.764 430 R HA 0.727 5.067 4.340 0.000 0.000 0.270 430 R C -0.536 175.765 176.300 0.001 0.000 1.014 430 R CA -0.448 55.652 56.100 0.001 0.000 0.904 430 R CB 1.505 31.806 30.300 0.001 0.000 1.236 430 R HN 0.802 nan 8.270 nan 0.000 0.466 431 G N -0.408 108.392 108.800 0.001 0.000 3.042 431 G HA2 0.294 4.254 3.960 0.000 0.000 0.278 431 G HA3 0.294 4.254 3.960 0.000 0.000 0.278 431 G C 0.167 175.067 174.900 0.001 0.000 1.371 431 G CA -0.345 44.755 45.100 0.001 0.000 1.009 431 G HN 0.396 nan 8.290 nan 0.000 0.523 432 Q N -0.496 119.304 119.800 0.001 0.000 1.985 432 Q HA -0.151 4.189 4.340 0.000 0.000 0.207 432 Q C 0.851 176.851 176.000 0.001 0.000 0.996 432 Q CA 2.064 57.867 55.803 0.001 0.000 0.851 432 Q CB -0.224 28.515 28.738 0.001 0.000 0.921 432 Q HN 0.685 nan 8.270 nan 0.000 0.418 433 N N -0.909 117.792 118.700 0.001 0.000 2.671 433 N HA 0.070 4.810 4.740 0.000 0.000 0.303 433 N C 0.223 175.733 175.510 0.001 0.000 1.277 433 N CA -0.414 52.637 53.050 0.001 0.000 0.933 433 N CB 0.355 38.843 38.487 0.001 0.000 1.190 433 N HN -0.174 nan 8.380 nan 0.000 0.600 434 E N -0.683 119.518 120.200 0.001 0.000 2.150 434 E HA -0.109 4.241 4.350 0.000 0.000 0.193 434 E C 0.534 177.135 176.600 0.001 0.000 0.985 434 E CA 1.197 57.598 56.400 0.001 0.000 0.814 434 E CB -0.309 29.391 29.700 0.001 0.000 0.752 434 E HN 0.541 nan 8.360 nan 0.000 0.466 435 D N 0.338 120.739 120.400 0.002 0.000 2.087 435 D HA -0.201 4.439 4.640 0.000 0.000 0.192 435 D C 1.890 178.192 176.300 0.002 0.000 0.993 435 D CA 1.203 55.205 54.000 0.002 0.000 0.828 435 D CB -0.346 40.456 40.800 0.002 0.000 0.968 435 D HN 0.339 nan 8.370 nan 0.000 0.448 436 Q N 0.240 120.041 119.800 0.002 0.000 2.173 436 Q HA -0.176 4.164 4.340 0.000 0.000 0.208 436 Q C 1.882 177.883 176.000 0.002 0.000 0.989 436 Q CA 1.035 56.839 55.803 0.002 0.000 0.872 436 Q CB -0.082 28.657 28.738 0.001 0.000 0.909 436 Q HN 0.271 nan 8.270 nan 0.000 0.420 437 N N -0.249 118.452 118.700 0.002 0.000 2.166 437 N HA -0.114 4.626 4.740 0.000 0.000 0.186 437 N C 1.796 177.308 175.510 0.002 0.000 1.019 437 N CA 0.966 54.017 53.050 0.002 0.000 0.856 437 N CB -0.245 38.242 38.487 0.002 0.000 0.993 437 N HN 0.069 nan 8.380 nan 0.000 0.426 438 V N 0.887 120.803 119.914 0.002 0.000 2.358 438 V HA -0.125 3.995 4.120 0.000 0.000 0.246 438 V C 2.435 178.530 176.094 0.003 0.000 1.047 438 V CA 1.938 64.239 62.300 0.002 0.000 1.035 438 V CB -1.182 30.642 31.823 0.002 0.000 0.658 438 V HN 0.330 nan 8.190 nan 0.000 0.452 439 G N -0.161 108.640 108.800 0.003 0.000 2.442 439 G HA2 -0.238 3.722 3.960 0.000 0.000 0.219 439 G HA3 -0.238 3.722 3.960 0.000 0.000 0.219 439 G C 1.503 176.404 174.900 0.003 0.000 1.141 439 G CA 1.095 46.197 45.100 0.003 0.000 0.763 439 G HN 0.443 nan 8.290 nan 0.000 0.554 440 I N 0.618 121.190 120.570 0.003 0.000 2.133 440 I HA -0.029 4.141 4.170 0.000 0.000 0.238 440 I C 2.497 178.616 176.117 0.004 0.000 1.074 440 I CA 1.066 62.368 61.300 0.003 0.000 1.342 440 I CB -0.113 37.888 38.000 0.002 0.000 1.053 440 I HN -0.089 nan 8.210 nan 0.000 0.404 441 K N 0.199 120.601 120.400 0.003 0.000 2.281 441 K HA -0.072 4.248 4.320 0.000 0.000 0.203 441 K C 2.136 178.739 176.600 0.004 0.000 1.046 441 K CA 0.912 57.201 56.287 0.004 0.000 0.938 441 K CB -0.659 31.843 32.500 0.003 0.000 0.737 441 K HN 0.227 nan 8.250 nan 0.000 0.458 442 V N 0.924 120.841 119.914 0.004 0.000 2.346 442 V HA -0.144 3.976 4.120 0.000 0.000 0.244 442 V C 2.332 178.429 176.094 0.005 0.000 1.037 442 V CA 1.716 64.018 62.300 0.005 0.000 1.029 442 V CB -0.414 31.412 31.823 0.005 0.000 0.663 442 V HN 0.271 nan 8.190 nan 0.000 0.454 443 A N -0.302 122.521 122.820 0.005 0.000 1.898 443 A HA -0.115 4.206 4.320 0.000 0.000 0.216 443 A C 2.140 179.728 177.584 0.007 0.000 1.181 443 A CA 1.560 53.600 52.037 0.006 0.000 0.620 443 A CB -0.483 18.520 19.000 0.005 0.000 0.819 443 A HN 0.502 nan 8.150 nan 0.000 0.442 444 L N -1.356 119.871 121.223 0.006 0.000 2.141 444 L HA -0.108 4.232 4.340 0.000 0.000 0.209 444 L C 2.744 179.619 176.870 0.008 0.000 1.094 444 L CA 1.381 56.225 54.840 0.007 0.000 0.763 444 L CB -0.478 41.586 42.059 0.007 0.000 0.908 444 L HN 0.393 nan 8.230 nan 0.000 0.437 445 R N 0.199 120.703 120.500 0.007 0.000 2.148 445 R HA -0.103 4.237 4.340 0.000 0.000 0.227 445 R C 2.238 178.541 176.300 0.006 0.000 1.103 445 R CA 1.125 57.229 56.100 0.006 0.000 0.983 445 R CB -0.054 30.249 30.300 0.005 0.000 0.874 445 R HN 0.348 nan 8.270 nan 0.000 0.451 446 A N 0.105 122.929 122.820 0.007 0.000 1.975 446 A HA -0.034 4.286 4.320 0.000 0.000 0.215 446 A C 1.901 179.490 177.584 0.009 0.000 1.170 446 A CA 0.539 52.580 52.037 0.008 0.000 0.656 446 A CB -0.149 18.856 19.000 0.009 0.000 0.821 446 A HN 0.247 nan 8.150 nan 0.000 0.449 447 M N -0.228 119.378 119.600 0.010 0.000 2.706 447 M HA -0.107 4.373 4.480 0.000 0.000 0.251 447 M C 1.332 177.638 176.300 0.011 0.000 1.070 447 M CA 0.938 56.245 55.300 0.011 0.000 1.073 447 M CB -0.185 32.422 32.600 0.012 0.000 1.449 447 M HN 0.475 nan 8.290 nan 0.000 0.531 448 E N -0.067 120.138 120.200 0.009 0.000 2.340 448 E HA 0.043 4.393 4.350 0.000 0.000 0.194 448 E C 2.118 178.721 176.600 0.004 0.000 0.996 448 E CA 0.460 56.864 56.400 0.007 0.000 0.869 448 E CB 0.069 29.772 29.700 0.005 0.000 0.835 448 E HN 0.487 nan 8.360 nan 0.000 0.493 449 A N 2.508 125.331 122.820 0.005 0.000 1.894 449 A HA -0.236 4.084 4.320 0.000 0.000 0.220 449 A C -0.344 177.242 177.584 0.003 0.000 1.237 449 A CA 2.016 54.055 52.037 0.004 0.000 0.660 449 A CB -1.804 17.200 19.000 0.006 0.000 0.835 449 A HN 0.148 nan 8.150 nan 0.000 0.461 450 P HA -0.192 nan 4.420 nan 0.000 0.214 450 P C 1.890 179.193 177.300 0.006 0.000 1.169 450 P CA 1.382 64.487 63.100 0.007 0.000 0.908 450 P CB -0.155 31.551 31.700 0.010 0.000 0.791 451 L N -0.897 120.329 121.223 0.006 0.000 1.994 451 L HA -0.184 4.156 4.340 0.000 0.000 0.208 451 L C 2.474 179.339 176.870 -0.008 0.000 1.071 451 L CA 1.708 56.550 54.840 0.004 0.000 0.745 451 L CB -0.338 41.723 42.059 0.003 0.000 0.892 451 L HN -0.186 nan 8.230 nan 0.000 0.431 452 R N -0.659 119.833 120.500 -0.013 0.000 2.139 452 R HA -0.259 4.081 4.340 0.000 0.000 0.243 452 R C 2.261 178.552 176.300 -0.014 0.000 1.145 452 R CA 1.797 57.885 56.100 -0.021 0.000 0.976 452 R CB -0.258 30.033 30.300 -0.016 0.000 0.866 452 R HN 0.421 nan 8.270 nan 0.000 0.449 453 Q N 0.792 120.589 119.800 -0.005 0.000 2.137 453 Q HA -0.022 4.318 4.340 0.000 0.000 0.198 453 Q C 1.741 177.743 176.000 0.002 0.000 0.960 453 Q CA 1.355 57.157 55.803 -0.002 0.000 0.847 453 Q CB 0.049 28.787 28.738 0.000 0.000 0.915 453 Q HN 0.350 nan 8.270 nan 0.000 0.448 454 I N -0.770 119.804 120.570 0.007 0.000 2.202 454 I HA -0.219 3.951 4.170 0.000 0.000 0.242 454 I C 1.985 178.118 176.117 0.026 0.000 1.091 454 I CA 0.816 62.126 61.300 0.017 0.000 1.368 454 I CB -0.346 37.670 38.000 0.025 0.000 1.058 454 I HN 0.031 nan 8.210 nan 0.000 0.410 455 V N 0.942 120.867 119.914 0.017 0.000 2.469 455 V HA -0.260 3.860 4.120 0.000 0.000 0.251 455 V C 2.352 178.445 176.094 -0.001 0.000 1.064 455 V CA 1.527 63.829 62.300 0.004 0.000 1.066 455 V CB -0.443 31.329 31.823 -0.086 0.000 0.667 455 V HN 0.350 nan 8.190 nan 0.000 0.461 456 L N 0.655 121.875 121.223 -0.006 0.000 2.044 456 L HA -0.039 4.301 4.340 0.000 0.000 0.205 456 L C 2.097 178.969 176.870 0.004 0.000 1.075 456 L CA 1.814 56.652 54.840 -0.004 0.000 0.747 456 L CB -1.052 41.003 42.059 -0.006 0.000 0.903 456 L HN 0.283 nan 8.230 nan 0.000 0.435 457 N N -0.934 117.770 118.700 0.006 0.000 2.430 457 N HA -0.160 4.580 4.740 0.000 0.000 0.186 457 N C 1.428 176.944 175.510 0.010 0.000 1.032 457 N CA 1.369 54.423 53.050 0.006 0.000 0.893 457 N CB -0.620 37.870 38.487 0.005 0.000 0.957 457 N HN 0.420 nan 8.380 nan 0.000 0.442 458 C N -0.314 118.997 119.300 0.018 0.000 2.754 458 C HA 0.359 4.819 4.460 0.000 0.000 0.276 458 C C 1.428 176.433 174.990 0.024 0.000 1.264 458 C CA -0.321 58.713 59.018 0.026 0.000 1.700 458 C CB -1.125 26.646 27.740 0.052 0.000 1.885 458 C HN 0.537 nan 8.230 nan 0.000 0.607 459 G N 1.889 110.698 108.800 0.015 0.000 2.314 459 G HA2 -0.179 3.781 3.960 0.000 0.000 0.292 459 G HA3 -0.179 3.781 3.960 0.000 0.000 0.292 459 G C -0.185 174.724 174.900 0.015 0.000 1.059 459 G CA 0.362 45.469 45.100 0.012 0.000 0.982 459 G HN 0.511 nan 8.290 nan 0.000 0.505 460 E N -1.060 119.146 120.200 0.010 0.000 2.412 460 E HA 0.603 4.953 4.350 0.000 0.000 0.255 460 E C 0.037 176.625 176.600 -0.020 0.000 0.933 460 E CA -1.193 55.207 56.400 0.001 0.000 0.823 460 E CB 0.995 30.693 29.700 -0.003 0.000 1.352 460 E HN 0.059 nan 8.360 nan 0.000 0.406 461 K N 1.760 122.138 120.400 -0.036 0.000 2.244 461 K HA 0.277 4.597 4.320 0.000 0.000 0.263 461 K C -2.116 174.443 176.600 -0.068 0.000 1.103 461 K CA -2.000 54.265 56.287 -0.038 0.000 0.966 461 K CB 0.693 33.179 32.500 -0.023 0.000 1.429 461 K HN 0.053 nan 8.250 nan 0.000 0.434 462 P HA -0.268 nan 4.420 nan 0.000 0.214 462 P C 0.869 178.132 177.300 -0.062 0.000 1.169 462 P CA 1.688 64.746 63.100 -0.070 0.000 0.908 462 P CB 0.116 31.791 31.700 -0.042 0.000 0.791 463 S N -0.860 114.817 115.700 -0.038 0.000 2.381 463 S HA -0.212 4.258 4.470 0.000 0.000 0.230 463 S C 2.011 176.596 174.600 -0.025 0.000 1.052 463 S CA 2.081 60.266 58.200 -0.025 0.000 1.068 463 S CB -1.927 61.264 63.200 -0.016 0.000 0.918 463 S HN -0.047 nan 8.310 nan 0.000 0.448 464 V N 1.871 121.767 119.914 -0.030 0.000 2.221 464 V HA -0.153 3.967 4.120 0.000 0.000 0.242 464 V C 2.685 178.766 176.094 -0.022 0.000 1.041 464 V CA 1.784 64.073 62.300 -0.019 0.000 0.995 464 V CB -0.971 30.844 31.823 -0.013 0.000 0.635 464 V HN 0.471 nan 8.190 nan 0.000 0.448 465 V N 0.453 120.314 119.914 -0.090 0.000 2.317 465 V HA -0.362 3.758 4.120 0.000 0.000 0.251 465 V C 2.679 178.731 176.094 -0.070 0.000 1.065 465 V CA 2.334 64.531 62.300 -0.173 0.000 1.049 465 V CB -1.395 30.098 31.823 -0.549 0.000 0.651 465 V HN 0.592 nan 8.190 nan 0.000 0.450 466 A N 0.361 123.142 122.820 -0.066 0.000 1.841 466 A HA -0.324 3.996 4.320 0.000 0.000 0.216 466 A C 2.054 179.652 177.584 0.023 0.000 1.199 466 A CA 2.528 54.553 52.037 -0.019 0.000 0.621 466 A CB -1.057 17.930 19.000 -0.021 0.000 0.835 466 A HN 0.691 nan 8.150 nan 0.000 0.445 467 N N -0.908 117.803 118.700 0.019 0.000 2.061 467 N HA -0.156 4.584 4.740 0.000 0.000 0.193 467 N C 1.775 177.319 175.510 0.057 0.000 1.030 467 N CA 1.886 54.954 53.050 0.030 0.000 0.856 467 N CB -0.384 38.113 38.487 0.016 0.000 1.023 467 N HN 0.528 nan 8.380 nan 0.000 0.424 468 T N 0.762 115.359 114.554 0.072 0.000 2.652 468 T HA -0.124 4.226 4.350 0.000 0.000 0.267 468 T C 2.154 176.982 174.700 0.213 0.000 1.039 468 T CA 1.118 63.283 62.100 0.108 0.000 1.153 468 T CB -0.484 68.443 68.868 0.100 0.000 0.863 468 T HN 0.016 nan 8.240 nan 0.000 0.428 469 V N 1.520 121.570 119.914 0.227 0.000 2.392 469 V HA -0.198 3.922 4.120 0.000 0.000 0.249 469 V C 2.438 178.658 176.094 0.210 0.000 1.059 469 V CA 1.611 64.054 62.300 0.238 0.000 1.051 469 V CB -0.531 31.368 31.823 0.127 0.000 0.658 469 V HN 0.488 nan 8.190 nan 0.000 0.455 470 K N 0.226 120.704 120.400 0.130 0.000 2.148 470 K HA -0.052 4.268 4.320 0.000 0.000 0.204 470 K C 1.973 178.627 176.600 0.089 0.000 1.050 470 K CA 1.172 57.515 56.287 0.094 0.000 0.942 470 K CB -0.436 32.098 32.500 0.057 0.000 0.724 470 K HN 0.561 nan 8.250 nan 0.000 0.446 471 G N 0.780 109.636 108.800 0.094 0.000 2.882 471 G HA2 0.029 3.989 3.960 0.000 0.000 0.206 471 G HA3 0.029 3.989 3.960 0.000 0.000 0.206 471 G C 0.444 175.364 174.900 0.032 0.000 1.155 471 G CA 0.261 45.392 45.100 0.053 0.000 0.800 471 G HN 0.311 nan 8.290 nan 0.000 0.524 472 G N -1.084 107.771 108.800 0.091 0.000 3.107 472 G HA2 0.537 4.497 3.960 0.000 0.000 0.232 472 G HA3 0.537 4.497 3.960 0.000 0.000 0.232 472 G C -1.741 173.180 174.900 0.036 0.000 1.339 472 G CA -0.401 44.694 45.100 -0.009 0.000 1.033 472 G HN 0.108 nan 8.290 nan 0.000 0.567 473 D N -3.043 117.371 120.400 0.023 0.000 2.661 473 D HA 0.542 5.182 4.640 0.000 0.000 0.228 473 D C 0.554 176.905 176.300 0.086 0.000 1.210 473 D CA 1.173 55.200 54.000 0.046 0.000 0.826 473 D CB 1.634 42.434 40.800 -0.000 0.000 1.542 473 D HN 1.317 nan 8.370 nan 0.000 0.447 474 G N 2.109 110.955 108.800 0.077 0.000 2.512 474 G HA2 -0.284 3.676 3.960 0.000 0.000 0.254 474 G HA3 -0.284 3.676 3.960 0.000 0.000 0.254 474 G C 0.166 175.130 174.900 0.107 0.000 1.199 474 G CA 0.199 45.347 45.100 0.080 0.000 0.941 474 G HN 0.590 nan 8.290 nan 0.000 0.569 475 N N 0.174 118.938 118.700 0.107 0.000 2.346 475 N HA 0.336 5.076 4.740 0.000 0.000 0.225 475 N C -0.029 175.564 175.510 0.139 0.000 1.144 475 N CA 0.052 53.161 53.050 0.098 0.000 0.837 475 N CB 0.195 38.720 38.487 0.064 0.000 1.069 475 N HN 0.553 nan 8.380 nan 0.000 0.487 476 Y N 0.727 121.059 120.300 0.052 0.000 2.402 476 Y HA 0.497 5.047 4.550 0.000 0.000 0.333 476 Y C 0.751 176.711 175.900 0.099 0.000 1.076 476 Y CA -0.179 57.966 58.100 0.075 0.000 1.299 476 Y CB 0.135 38.640 38.460 0.075 0.000 1.197 476 Y HN 0.063 nan 8.280 nan 0.000 0.517 477 G N 4.149 112.752 108.800 -0.328 0.000 2.947 477 G HA2 0.262 4.222 3.960 0.000 0.000 0.293 477 G HA3 0.262 4.222 3.960 0.000 0.000 0.293 477 G C -2.366 172.361 174.900 -0.288 0.000 1.243 477 G CA -0.881 44.079 45.100 -0.233 0.000 0.802 477 G HN 0.568 nan 8.290 nan 0.000 0.560 478 Y N 1.396 121.494 120.300 -0.337 0.000 2.338 478 Y HA 0.552 5.102 4.550 0.000 0.000 0.328 478 Y C -0.326 175.381 175.900 -0.322 0.000 0.965 478 Y CA -1.274 56.524 58.100 -0.503 0.000 1.208 478 Y CB 1.451 39.547 38.460 -0.606 0.000 1.132 478 Y HN 0.433 nan 8.280 nan 0.000 0.469 479 N N 4.772 123.090 118.700 -0.637 0.000 2.402 479 N HA 0.152 4.892 4.740 0.000 0.000 0.252 479 N C 0.489 175.516 175.510 -0.804 0.000 1.118 479 N CA 0.619 53.371 53.050 -0.497 0.000 0.945 479 N CB 1.393 39.674 38.487 -0.343 0.000 1.147 479 N HN 0.854 nan 8.380 nan 0.000 0.495 480 A N 3.479 125.983 122.820 -0.526 0.000 2.168 480 A HA 0.076 4.396 4.320 0.000 0.000 0.215 480 A C 1.882 179.320 177.584 -0.243 0.000 1.152 480 A CA 1.258 53.073 52.037 -0.369 0.000 0.716 480 A CB -0.363 18.650 19.000 0.021 0.000 0.794 480 A HN 0.724 nan 8.150 nan 0.000 0.465 481 A N -0.542 122.142 122.820 -0.228 0.000 1.975 481 A HA 0.053 4.373 4.320 0.000 0.000 0.215 481 A C 2.249 179.743 177.584 -0.150 0.000 1.170 481 A CA 2.013 53.963 52.037 -0.144 0.000 0.656 481 A CB -0.557 18.377 19.000 -0.110 0.000 0.821 481 A HN 0.707 nan 8.150 nan 0.000 0.449 482 T N -4.586 109.838 114.554 -0.217 0.000 2.971 482 T HA 0.230 4.580 4.350 0.000 0.000 0.252 482 T C 0.439 175.020 174.700 -0.199 0.000 1.022 482 T CA 0.861 62.858 62.100 -0.172 0.000 0.980 482 T CB -0.146 68.634 68.868 -0.147 0.000 1.044 482 T HN 0.530 nan 8.240 nan 0.000 0.501 483 E N 0.681 120.653 120.200 -0.380 0.000 3.413 483 E HA -0.146 4.204 4.350 0.000 0.000 0.300 483 E C -0.837 175.621 176.600 -0.236 0.000 0.891 483 E CA 0.761 56.947 56.400 -0.357 0.000 1.050 483 E CB -1.705 27.965 29.700 -0.050 0.000 1.534 483 E HN 0.755 nan 8.360 nan 0.000 0.436 484 E N 0.521 120.548 120.200 -0.289 0.000 2.182 484 E HA 0.279 4.629 4.350 0.000 0.000 0.258 484 E C -0.649 175.899 176.600 -0.088 0.000 0.879 484 E CA -0.653 55.713 56.400 -0.056 0.000 0.754 484 E CB 0.778 30.468 29.700 -0.016 0.000 1.162 484 E HN 0.045 nan 8.360 nan 0.000 0.419 485 Y N 1.510 121.785 120.300 -0.041 0.000 2.511 485 Y HA 0.352 4.902 4.550 0.000 0.000 0.347 485 Y C 1.430 177.285 175.900 -0.074 0.000 1.257 485 Y CA 0.807 58.844 58.100 -0.106 0.000 1.469 485 Y CB 0.524 38.950 38.460 -0.057 0.000 1.353 485 Y HN 0.706 nan 8.280 nan 0.000 0.617 486 G N 0.269 109.066 108.800 -0.005 0.000 2.452 486 G HA2 0.006 3.966 3.960 0.000 0.000 0.224 486 G HA3 0.006 3.966 3.960 0.000 0.000 0.224 486 G C -1.662 173.302 174.900 0.106 0.000 1.208 486 G CA -1.003 44.177 45.100 0.134 0.000 0.946 486 G HN 0.592 nan 8.290 nan 0.000 0.481 487 N N 1.301 120.066 118.700 0.108 0.000 2.485 487 N HA 0.204 4.944 4.740 0.000 0.000 0.243 487 N C 1.689 177.215 175.510 0.027 0.000 0.987 487 N CA -0.590 52.518 53.050 0.096 0.000 0.940 487 N CB 0.951 39.497 38.487 0.099 0.000 1.122 487 N HN 0.357 nan 8.380 nan 0.000 0.509 488 M N 3.083 122.684 119.600 0.001 0.000 2.143 488 M HA -0.201 4.279 4.480 0.000 0.000 0.258 488 M C 1.522 177.819 176.300 -0.007 0.000 1.071 488 M CA 1.254 56.541 55.300 -0.022 0.000 1.088 488 M CB -0.555 32.031 32.600 -0.023 0.000 1.360 488 M HN 0.557 nan 8.290 nan 0.000 0.404 489 I N -0.148 120.429 120.570 0.012 0.000 2.353 489 I HA -0.211 3.959 4.170 0.000 0.000 0.248 489 I C 1.714 177.836 176.117 0.008 0.000 1.119 489 I CA 1.334 62.640 61.300 0.011 0.000 1.417 489 I CB -1.488 36.524 38.000 0.019 0.000 1.078 489 I HN 0.208 nan 8.210 nan 0.000 0.421 490 D N 0.772 121.181 120.400 0.015 0.000 2.144 490 D HA -0.129 4.511 4.640 0.000 0.000 0.199 490 D C 2.083 178.383 176.300 0.001 0.000 0.984 490 D CA 1.082 55.090 54.000 0.013 0.000 0.834 490 D CB -0.111 40.703 40.800 0.024 0.000 0.955 490 D HN 0.237 nan 8.370 nan 0.000 0.465 491 M N -0.526 119.069 119.600 -0.008 0.000 2.628 491 M HA 0.163 4.643 4.480 0.000 0.000 0.232 491 M C 0.691 176.975 176.300 -0.027 0.000 1.128 491 M CA 0.254 55.540 55.300 -0.024 0.000 1.040 491 M CB 0.347 32.920 32.600 -0.045 0.000 1.608 491 M HN 0.056 nan 8.290 nan 0.000 0.507 492 G N 2.309 111.098 108.800 -0.017 0.000 2.333 492 G HA2 -0.236 3.724 3.960 0.000 0.000 0.296 492 G HA3 -0.236 3.724 3.960 0.000 0.000 0.296 492 G C -0.161 174.725 174.900 -0.023 0.000 1.059 492 G CA -0.188 44.902 45.100 -0.016 0.000 1.050 492 G HN 0.591 nan 8.290 nan 0.000 0.508 493 I N 0.812 121.368 120.570 -0.024 0.000 2.871 493 I HA 0.225 4.395 4.170 0.000 0.000 0.284 493 I C 0.163 176.270 176.117 -0.017 0.000 1.390 493 I CA -0.801 60.482 61.300 -0.029 0.000 0.958 493 I CB 0.265 38.236 38.000 -0.049 0.000 1.618 493 I HN 0.183 nan 8.210 nan 0.000 0.595 494 L N 0.638 121.856 121.223 -0.008 0.000 2.341 494 L HA 0.836 5.176 4.340 0.000 0.000 0.267 494 L C -0.545 176.327 176.870 0.003 0.000 1.022 494 L CA -0.752 54.088 54.840 -0.000 0.000 0.844 494 L CB 0.512 42.573 42.059 0.004 0.000 1.436 494 L HN -0.025 nan 8.230 nan 0.000 0.483 495 D N -1.401 119.004 120.400 0.008 0.000 2.871 495 D HA 0.303 4.943 4.640 0.000 0.000 0.209 495 D C -2.847 173.462 176.300 0.015 0.000 1.292 495 D CA -0.818 53.189 54.000 0.011 0.000 0.869 495 D CB 2.398 43.204 40.800 0.011 0.000 1.663 495 D HN 0.320 nan 8.370 nan 0.000 0.557 496 P HA 0.004 nan 4.420 nan 0.000 0.260 496 P C 0.996 178.309 177.300 0.022 0.000 1.185 496 P CA 0.277 63.390 63.100 0.022 0.000 0.763 496 P CB 0.611 32.328 31.700 0.028 0.000 0.776 497 T N 3.186 117.752 114.554 0.019 0.000 2.680 497 T HA -0.270 4.080 4.350 0.000 0.000 0.268 497 T C 1.634 176.346 174.700 0.020 0.000 1.033 497 T CA 1.504 63.615 62.100 0.018 0.000 1.152 497 T CB -0.371 68.506 68.868 0.016 0.000 0.859 497 T HN 0.502 nan 8.240 nan 0.000 0.452 498 K N 0.687 121.102 120.400 0.024 0.000 2.113 498 K HA -0.156 4.164 4.320 0.000 0.000 0.208 498 K C 2.424 179.046 176.600 0.037 0.000 1.047 498 K CA 1.708 58.012 56.287 0.028 0.000 0.928 498 K CB -0.385 32.136 32.500 0.034 0.000 0.716 498 K HN 0.381 nan 8.250 nan 0.000 0.446 499 V N -0.467 119.469 119.914 0.036 0.000 2.283 499 V HA -0.170 3.950 4.120 0.000 0.000 0.243 499 V C 1.799 177.917 176.094 0.041 0.000 1.039 499 V CA 2.362 64.687 62.300 0.042 0.000 1.016 499 V CB -0.854 30.988 31.823 0.030 0.000 0.650 499 V HN 0.321 nan 8.190 nan 0.000 0.449 500 T N 0.509 115.081 114.554 0.029 0.000 2.699 500 T HA -0.243 4.107 4.350 0.000 0.000 0.268 500 T C 1.968 176.683 174.700 0.024 0.000 1.036 500 T CA 2.418 64.533 62.100 0.026 0.000 1.147 500 T CB -0.454 68.426 68.868 0.020 0.000 0.862 500 T HN 0.628 nan 8.240 nan 0.000 0.446 501 R N 0.766 121.277 120.500 0.018 0.000 2.070 501 R HA -0.100 4.240 4.340 0.000 0.000 0.232 501 R C 2.682 178.982 176.300 -0.000 0.000 1.138 501 R CA 1.845 57.947 56.100 0.003 0.000 0.936 501 R CB -0.462 29.835 30.300 -0.004 0.000 0.839 501 R HN 0.244 nan 8.270 nan 0.000 0.429 502 S N 0.645 116.362 115.700 0.028 0.000 2.359 502 S HA -0.223 4.247 4.470 0.000 0.000 0.223 502 S C 2.046 176.739 174.600 0.156 0.000 1.039 502 S CA 1.410 59.654 58.200 0.074 0.000 1.042 502 S CB -0.473 62.830 63.200 0.172 0.000 0.915 502 S HN 0.601 nan 8.310 nan 0.000 0.439 503 A N 1.401 124.300 122.820 0.132 0.000 1.873 503 A HA -0.148 4.172 4.320 0.000 0.000 0.218 503 A C 2.169 179.814 177.584 0.101 0.000 1.193 503 A CA 1.862 53.975 52.037 0.127 0.000 0.629 503 A CB -0.917 18.125 19.000 0.071 0.000 0.826 503 A HN 0.420 nan 8.150 nan 0.000 0.447 504 L N -0.134 121.119 121.223 0.049 0.000 2.017 504 L HA -0.205 4.135 4.340 0.000 0.000 0.208 504 L C 2.554 179.425 176.870 0.001 0.000 1.073 504 L CA 2.387 57.242 54.840 0.024 0.000 0.745 504 L CB -0.851 41.213 42.059 0.008 0.000 0.894 504 L HN 0.496 nan 8.230 nan 0.000 0.432 505 Q N -1.435 118.333 119.800 -0.054 0.000 2.152 505 Q HA -0.259 4.081 4.340 0.000 0.000 0.206 505 Q C 2.189 178.087 176.000 -0.170 0.000 0.985 505 Q CA 2.116 57.826 55.803 -0.155 0.000 0.863 505 Q CB -0.448 28.113 28.738 -0.294 0.000 0.904 505 Q HN 0.554 nan 8.270 nan 0.000 0.422 506 Y N 0.135 120.435 120.300 0.001 0.000 2.243 506 Y HA -0.022 4.528 4.550 0.000 0.000 0.293 506 Y C 2.465 178.365 175.900 0.000 0.000 1.124 506 Y CA 0.678 58.778 58.100 -0.000 0.000 1.159 506 Y CB -0.661 37.797 38.460 -0.002 0.000 1.008 506 Y HN 0.094 nan 8.280 nan 0.000 0.527 507 A N 0.166 123.084 122.820 0.162 0.000 1.908 507 A HA -0.187 4.133 4.320 0.000 0.000 0.218 507 A C 2.456 180.078 177.584 0.064 0.000 1.181 507 A CA 2.023 54.115 52.037 0.092 0.000 0.627 507 A CB -1.252 17.785 19.000 0.062 0.000 0.818 507 A HN 0.395 nan 8.150 nan 0.000 0.445 508 A N -0.761 122.085 122.820 0.044 0.000 1.908 508 A HA -0.124 4.196 4.320 0.000 0.000 0.218 508 A C 2.470 180.070 177.584 0.028 0.000 1.181 508 A CA 2.265 54.315 52.037 0.022 0.000 0.627 508 A CB -1.035 17.964 19.000 -0.002 0.000 0.818 508 A HN 0.609 nan 8.150 nan 0.000 0.445 509 S N -0.818 114.907 115.700 0.043 0.000 2.354 509 S HA -0.173 4.297 4.470 0.000 0.000 0.219 509 S C 2.010 176.644 174.600 0.057 0.000 1.035 509 S CA 1.976 60.208 58.200 0.052 0.000 1.037 509 S CB -0.765 62.495 63.200 0.100 0.000 0.956 509 S HN 0.718 nan 8.310 nan 0.000 0.428 510 V N 1.941 121.899 119.914 0.074 0.000 2.407 510 V HA -0.061 4.059 4.120 0.000 0.000 0.248 510 V C 2.567 178.683 176.094 0.037 0.000 1.055 510 V CA 2.229 64.561 62.300 0.053 0.000 1.049 510 V CB -1.276 30.578 31.823 0.051 0.000 0.662 510 V HN 0.618 nan 8.190 nan 0.000 0.455 511 A N 0.247 123.088 122.820 0.036 0.000 1.865 511 A HA -0.081 4.239 4.320 0.000 0.000 0.217 511 A C 2.438 180.035 177.584 0.021 0.000 1.191 511 A CA 2.171 54.223 52.037 0.025 0.000 0.623 511 A CB -1.677 17.337 19.000 0.023 0.000 0.826 511 A HN 0.694 nan 8.150 nan 0.000 0.444 512 G N -0.060 108.752 108.800 0.020 0.000 2.491 512 G HA2 -0.252 3.708 3.960 0.000 0.000 0.218 512 G HA3 -0.252 3.708 3.960 0.000 0.000 0.218 512 G C 1.561 176.471 174.900 0.017 0.000 1.180 512 G CA 1.198 46.308 45.100 0.016 0.000 0.774 512 G HN 0.453 nan 8.290 nan 0.000 0.562 513 L N -0.229 121.007 121.223 0.021 0.000 2.043 513 L HA -0.170 4.170 4.340 0.000 0.000 0.212 513 L C 3.144 180.026 176.870 0.019 0.000 1.075 513 L CA 1.441 56.294 54.840 0.021 0.000 0.752 513 L CB -0.393 41.681 42.059 0.025 0.000 0.891 513 L HN 0.276 nan 8.230 nan 0.000 0.432 514 M N -0.801 118.810 119.600 0.019 0.000 2.156 514 M HA -0.157 4.323 4.480 0.000 0.000 0.264 514 M C 2.310 178.618 176.300 0.013 0.000 1.067 514 M CA 1.649 56.959 55.300 0.016 0.000 1.131 514 M CB -0.315 32.295 32.600 0.016 0.000 1.368 514 M HN 0.186 nan 8.290 nan 0.000 0.416 515 I N 0.302 120.880 120.570 0.013 0.000 2.423 515 I HA -0.218 3.952 4.170 0.000 0.000 0.254 515 I C 1.802 177.927 176.117 0.012 0.000 1.151 515 I CA 1.471 62.778 61.300 0.011 0.000 1.421 515 I CB -0.584 37.423 38.000 0.011 0.000 1.079 515 I HN 0.407 nan 8.210 nan 0.000 0.431 516 T N -3.213 111.350 114.554 0.014 0.000 3.223 516 T HA 0.161 4.511 4.350 0.000 0.000 0.259 516 T C 0.510 175.221 174.700 0.019 0.000 1.015 516 T CA -0.312 61.798 62.100 0.016 0.000 0.908 516 T CB -0.389 68.488 68.868 0.016 0.000 1.054 516 T HN -0.053 nan 8.240 nan 0.000 0.567 517 T N 2.129 116.694 114.554 0.017 0.000 2.845 517 T HA 0.361 4.711 4.350 0.000 0.000 0.288 517 T C 0.539 175.252 174.700 0.021 0.000 0.980 517 T CA -0.539 61.572 62.100 0.017 0.000 1.071 517 T CB 1.626 70.501 68.868 0.012 0.000 0.941 517 T HN 0.059 nan 8.240 nan 0.000 0.487 518 E N 0.260 120.479 120.200 0.032 0.000 2.541 518 E HA 0.205 4.555 4.350 0.000 0.000 0.219 518 E C -0.149 176.488 176.600 0.061 0.000 0.922 518 E CA 0.065 56.502 56.400 0.061 0.000 1.095 518 E CB 0.740 30.494 29.700 0.091 0.000 1.112 518 E HN 0.601 nan 8.360 nan 0.000 0.516 519 C N 0.538 119.829 119.300 -0.015 0.000 3.113 519 C HA 0.646 5.106 4.460 0.000 0.000 0.376 519 C C -1.507 173.401 174.990 -0.138 0.000 1.077 519 C CA -0.642 58.275 59.018 -0.168 0.000 1.253 519 C CB 0.219 27.843 27.740 -0.194 0.000 1.637 519 C HN 0.115 nan 8.230 nan 0.000 0.535 520 M N 4.823 124.324 119.600 -0.165 0.000 2.465 520 M HA 0.671 5.151 4.480 0.000 0.000 0.316 520 M C -1.034 175.300 176.300 0.057 0.000 1.121 520 M CA -0.665 54.644 55.300 0.014 0.000 0.934 520 M CB 2.184 34.890 32.600 0.177 0.000 1.692 520 M HN 0.409 nan 8.290 nan 0.000 0.444 521 V N 1.238 121.175 119.914 0.038 0.000 2.483 521 V HA 0.730 4.850 4.120 0.000 0.000 0.297 521 V C -0.416 175.642 176.094 -0.060 0.000 1.027 521 V CA -0.347 61.954 62.300 0.001 0.000 0.855 521 V CB 1.998 33.806 31.823 -0.024 0.000 0.995 521 V HN 0.971 nan 8.190 nan 0.000 0.424 522 T N 2.396 116.861 114.554 -0.147 0.000 2.816 522 T HA 0.446 4.796 4.350 0.000 0.000 0.299 522 T C -1.152 173.420 174.700 -0.213 0.000 1.230 522 T CA -0.537 61.411 62.100 -0.253 0.000 1.007 522 T CB 1.867 70.425 68.868 -0.516 0.000 1.289 522 T HN 0.651 nan 8.240 nan 0.000 0.508 523 D N 1.175 121.466 120.400 -0.183 0.000 2.368 523 D HA 0.377 5.017 4.640 0.000 0.000 0.240 523 D C -0.285 175.940 176.300 -0.126 0.000 1.169 523 D CA -0.202 53.724 54.000 -0.123 0.000 0.906 523 D CB 0.368 41.113 40.800 -0.092 0.000 1.187 523 D HN 0.186 nan 8.370 nan 0.000 0.435 524 L N 3.135 124.315 121.223 -0.071 0.000 2.367 524 L HA 0.255 4.595 4.340 0.000 0.000 0.275 524 L C -1.479 175.364 176.870 -0.045 0.000 1.129 524 L CA -1.257 53.555 54.840 -0.047 0.000 0.839 524 L CB -0.254 41.794 42.059 -0.019 0.000 1.133 524 L HN 0.412 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.083 63.100 -0.029 0.000 0.800 525 P CB 0.000 31.693 31.700 -0.011 0.000 0.726