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 1pcq_1_K DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.577 177.584 -0.012 0.000 1.274 2 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 3 A N 3.151 125.967 122.820 -0.008 0.000 2.567 3 A HA 0.478 4.798 4.320 -0.000 0.000 0.240 3 A C 0.424 178.001 177.584 -0.012 0.000 1.053 3 A CA 0.505 52.540 52.037 -0.004 0.000 0.755 3 A CB -0.036 18.965 19.000 0.001 0.000 0.978 3 A HN 0.639 nan 8.150 nan 0.000 0.507 4 K N 1.638 122.032 120.400 -0.010 0.000 2.185 4 K HA 0.433 4.753 4.320 -0.000 0.000 0.240 4 K C -1.022 175.574 176.600 -0.007 0.000 0.983 4 K CA -0.750 55.523 56.287 -0.024 0.000 0.873 4 K CB 1.316 33.799 32.500 -0.028 0.000 1.118 4 K HN 0.716 nan 8.250 nan 0.000 0.441 5 D N 0.924 121.317 120.400 -0.012 0.000 2.256 5 D HA 0.331 4.971 4.640 -0.000 0.000 0.240 5 D C -1.307 175.058 176.300 0.109 0.000 1.062 5 D CA -0.628 53.408 54.000 0.060 0.000 0.832 5 D CB 1.291 42.149 40.800 0.096 0.000 1.135 5 D HN 0.063 nan 8.370 nan 0.000 0.484 6 V N 4.308 124.261 119.914 0.064 0.000 2.444 6 V HA 0.414 4.534 4.120 -0.000 0.000 0.294 6 V C 0.090 176.030 176.094 -0.258 0.000 1.022 6 V CA -0.790 61.450 62.300 -0.101 0.000 0.850 6 V CB 1.722 33.421 31.823 -0.206 0.000 0.992 6 V HN 0.409 nan 8.190 nan 0.000 0.426 7 K N 3.440 123.641 120.400 -0.333 0.000 2.259 7 K HA 0.759 5.079 4.320 -0.000 0.000 0.249 7 K C -1.582 174.692 176.600 -0.542 0.000 0.942 7 K CA -0.451 55.573 56.287 -0.439 0.000 0.816 7 K CB 1.958 34.087 32.500 -0.617 0.000 1.155 7 K HN 0.503 nan 8.250 nan 0.000 0.428 8 F N 0.956 120.870 119.950 -0.060 0.000 2.532 8 F HA 0.397 4.924 4.527 -0.000 0.000 0.321 8 F C 1.152 176.927 175.800 -0.043 0.000 1.089 8 F CA 0.106 58.087 58.000 -0.032 0.000 0.926 8 F CB 2.073 41.063 39.000 -0.018 0.000 1.168 8 F HN 0.833 nan 8.300 nan 0.000 0.459 9 G N 2.719 111.636 108.800 0.195 0.000 2.634 9 G HA2 -0.488 3.472 3.960 -0.000 0.000 0.318 9 G HA3 -0.488 3.472 3.960 -0.000 0.000 0.318 9 G C 0.997 175.922 174.900 0.042 0.000 1.207 9 G CA 1.142 46.303 45.100 0.101 0.000 0.987 9 G HN 0.705 nan 8.290 nan 0.000 0.547 10 N N 0.973 119.689 118.700 0.027 0.000 2.025 10 N HA -0.061 4.679 4.740 -0.000 0.000 0.194 10 N C 1.878 177.372 175.510 -0.027 0.000 1.044 10 N CA 2.275 55.325 53.050 0.001 0.000 0.851 10 N CB -0.332 38.155 38.487 -0.000 0.000 1.036 10 N HN 0.554 nan 8.380 nan 0.000 0.422 11 D N 0.188 120.564 120.400 -0.040 0.000 2.126 11 D HA -0.199 4.441 4.640 -0.000 0.000 0.190 11 D C 1.814 178.016 176.300 -0.162 0.000 1.001 11 D CA 1.559 55.498 54.000 -0.101 0.000 0.841 11 D CB -0.854 39.874 40.800 -0.120 0.000 0.949 11 D HN 0.412 nan 8.370 nan 0.000 0.446 12 A N 0.683 123.411 122.820 -0.154 0.000 1.917 12 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 12 A C 2.208 179.737 177.584 -0.092 0.000 1.182 12 A CA 1.755 53.687 52.037 -0.175 0.000 0.633 12 A CB -0.437 18.508 19.000 -0.092 0.000 0.819 12 A HN 0.151 nan 8.150 nan 0.000 0.448 13 R N -1.278 119.194 120.500 -0.047 0.000 2.066 13 R HA 0.034 4.374 4.340 -0.000 0.000 0.224 13 R C 2.094 178.381 176.300 -0.023 0.000 1.122 13 R CA 1.048 57.138 56.100 -0.017 0.000 0.974 13 R CB -0.529 29.770 30.300 -0.002 0.000 0.871 13 R HN 0.347 nan 8.270 nan 0.000 0.435 14 V N 1.899 121.792 119.914 -0.035 0.000 2.324 14 V HA -0.323 3.797 4.120 -0.000 0.000 0.250 14 V C 2.176 178.250 176.094 -0.033 0.000 1.060 14 V CA 1.757 64.038 62.300 -0.032 0.000 1.042 14 V CB -0.365 31.435 31.823 -0.039 0.000 0.650 14 V HN 0.202 nan 8.190 nan 0.000 0.450 15 K N -0.705 119.657 120.400 -0.063 0.000 1.991 15 K HA -0.128 4.192 4.320 -0.000 0.000 0.212 15 K C 2.090 178.699 176.600 0.014 0.000 1.049 15 K CA 1.736 58.000 56.287 -0.039 0.000 0.932 15 K CB -0.792 31.640 32.500 -0.114 0.000 0.717 15 K HN 0.381 nan 8.250 nan 0.000 0.441 16 M N 0.148 119.760 119.600 0.019 0.000 2.195 16 M HA -0.207 4.273 4.480 -0.000 0.000 0.260 16 M C 1.919 178.235 176.300 0.027 0.000 1.066 16 M CA 1.124 56.448 55.300 0.040 0.000 1.089 16 M CB -0.140 32.483 32.600 0.037 0.000 1.377 16 M HN 0.079 nan 8.290 nan 0.000 0.411 17 L N 0.450 121.682 121.223 0.014 0.000 1.976 17 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 17 L C 2.311 179.189 176.870 0.013 0.000 1.071 17 L CA 1.919 56.766 54.840 0.012 0.000 0.746 17 L CB -0.725 41.337 42.059 0.005 0.000 0.890 17 L HN 0.198 nan 8.230 nan 0.000 0.432 18 R N -0.330 120.176 120.500 0.011 0.000 2.117 18 R HA -0.156 4.184 4.340 -0.000 0.000 0.243 18 R C 2.151 178.462 176.300 0.018 0.000 1.143 18 R CA 1.249 57.357 56.100 0.012 0.000 0.968 18 R CB -1.234 29.073 30.300 0.011 0.000 0.863 18 R HN 0.616 nan 8.270 nan 0.000 0.444 19 G N 0.967 109.783 108.800 0.026 0.000 2.511 19 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 19 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 19 G C 1.440 176.353 174.900 0.021 0.000 1.218 19 G CA 0.950 46.067 45.100 0.029 0.000 0.788 19 G HN 0.279 nan 8.290 nan 0.000 0.560 20 V N 1.210 121.136 119.914 0.020 0.000 2.287 20 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 20 V C 2.337 178.438 176.094 0.012 0.000 1.053 20 V CA 2.900 65.210 62.300 0.016 0.000 1.027 20 V CB -0.899 30.934 31.823 0.017 0.000 0.646 20 V HN 0.546 nan 8.190 nan 0.000 0.447 21 N N -0.512 118.195 118.700 0.011 0.000 2.091 21 N HA -0.214 4.526 4.740 -0.000 0.000 0.193 21 N C 1.753 177.267 175.510 0.008 0.000 1.021 21 N CA 1.848 54.903 53.050 0.009 0.000 0.862 21 N CB -0.279 38.213 38.487 0.008 0.000 1.018 21 N HN 0.468 nan 8.380 nan 0.000 0.429 22 V N 1.622 121.541 119.914 0.009 0.000 2.237 22 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 22 V C 2.246 178.343 176.094 0.005 0.000 1.046 22 V CA 1.380 63.684 62.300 0.007 0.000 1.007 22 V CB -0.643 31.185 31.823 0.009 0.000 0.638 22 V HN 0.401 nan 8.190 nan 0.000 0.445 23 L N -0.001 121.225 121.223 0.006 0.000 1.990 23 L HA -0.271 4.069 4.340 -0.000 0.000 0.213 23 L C 2.572 179.444 176.870 0.002 0.000 1.072 23 L CA 2.545 57.387 54.840 0.003 0.000 0.755 23 L CB -0.718 41.343 42.059 0.003 0.000 0.889 23 L HN 0.408 nan 8.230 nan 0.000 0.432 24 A N -0.585 122.237 122.820 0.004 0.000 1.902 24 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 24 A C 1.809 179.395 177.584 0.003 0.000 1.181 24 A CA 1.878 53.917 52.037 0.004 0.000 0.623 24 A CB -0.641 18.363 19.000 0.006 0.000 0.818 24 A HN 0.509 nan 8.150 nan 0.000 0.443 25 D N 0.003 120.405 120.400 0.003 0.000 2.178 25 D HA -0.028 4.612 4.640 -0.000 0.000 0.201 25 D C 2.112 178.412 176.300 0.001 0.000 0.980 25 D CA 1.364 55.366 54.000 0.003 0.000 0.842 25 D CB -0.273 40.529 40.800 0.003 0.000 0.948 25 D HN 0.446 nan 8.370 nan 0.000 0.472 26 A N 0.166 122.986 122.820 0.001 0.000 1.898 26 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 26 A C 2.334 179.917 177.584 -0.001 0.000 1.183 26 A CA 0.826 52.863 52.037 -0.000 0.000 0.622 26 A CB -0.486 18.513 19.000 -0.001 0.000 0.824 26 A HN 0.182 nan 8.150 nan 0.000 0.444 27 V N 0.933 120.846 119.914 -0.001 0.000 2.725 27 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 27 V C 2.415 178.508 176.094 -0.002 0.000 1.058 27 V CA 1.959 64.258 62.300 -0.003 0.000 1.080 27 V CB -0.384 31.436 31.823 -0.004 0.000 0.713 27 V HN 0.791 nan 8.190 nan 0.000 0.465 28 K N 0.771 121.172 120.400 0.000 0.000 2.362 28 K HA -0.067 4.253 4.320 -0.000 0.000 0.200 28 K C 1.563 178.164 176.600 0.001 0.000 1.046 28 K CA 1.772 58.060 56.287 0.001 0.000 0.952 28 K CB -0.535 31.967 32.500 0.003 0.000 0.753 28 K HN 0.507 nan 8.250 nan 0.000 0.466 29 V N -0.254 119.660 119.914 0.001 0.000 3.510 29 V HA -0.046 4.074 4.120 -0.000 0.000 0.270 29 V C 1.760 177.854 176.094 0.000 0.000 1.201 29 V CA 1.337 63.637 62.300 0.001 0.000 1.166 29 V CB -0.893 30.930 31.823 0.000 0.000 0.825 29 V HN 0.509 nan 8.190 nan 0.000 0.484 30 T N -3.441 111.112 114.554 -0.001 0.000 3.069 30 T HA 0.202 4.552 4.350 -0.000 0.000 0.252 30 T C 1.454 176.153 174.700 -0.002 0.000 1.053 30 T CA 0.477 62.576 62.100 -0.002 0.000 0.964 30 T CB 0.444 69.310 68.868 -0.004 0.000 1.005 30 T HN 0.315 nan 8.240 nan 0.000 0.532 31 L N 2.836 124.059 121.223 -0.000 0.000 1.994 31 L HA 0.301 4.641 4.340 -0.000 0.000 0.208 31 L C 1.708 178.578 176.870 0.001 0.000 1.071 31 L CA 1.527 56.368 54.840 0.001 0.000 0.745 31 L CB -1.383 40.678 42.059 0.003 0.000 0.892 31 L HN 0.413 nan 8.230 nan 0.000 0.431 32 G N -0.660 108.142 108.800 0.003 0.000 2.504 32 G HA2 0.010 3.970 3.960 -0.000 0.000 0.291 32 G HA3 0.010 3.970 3.960 -0.000 0.000 0.291 32 G C -1.579 173.318 174.900 -0.006 0.000 1.345 32 G CA 0.322 45.424 45.100 0.003 0.000 1.090 32 G HN 0.412 nan 8.290 nan 0.000 0.591 33 P HA 0.156 nan 4.420 nan 0.000 0.245 33 P C 0.214 177.505 177.300 -0.015 0.000 1.206 33 P CA 0.766 63.855 63.100 -0.018 0.000 0.781 33 P CB 0.533 32.214 31.700 -0.031 0.000 0.994 34 K N 0.769 121.164 120.400 -0.009 0.000 3.163 34 K HA 0.334 4.654 4.320 -0.000 0.000 0.186 34 K C 0.595 177.195 176.600 -0.000 0.000 1.111 34 K CA -0.355 55.929 56.287 -0.005 0.000 0.918 34 K CB 1.231 33.729 32.500 -0.003 0.000 1.059 34 K HN -0.015 nan 8.250 nan 0.000 0.558 35 G N 1.160 109.958 108.800 -0.002 0.000 2.594 35 G HA2 0.091 4.051 3.960 -0.000 0.000 0.243 35 G HA3 0.091 4.051 3.960 -0.000 0.000 0.243 35 G C 0.236 175.135 174.900 -0.001 0.000 1.229 35 G CA -0.446 44.653 45.100 -0.001 0.000 0.843 35 G HN 0.204 nan 8.290 nan 0.000 0.578 36 R N 0.092 120.592 120.500 0.000 0.000 2.583 36 R HA 0.199 4.539 4.340 -0.000 0.000 0.268 36 R C 0.539 176.838 176.300 -0.001 0.000 1.101 36 R CA -0.466 55.634 56.100 -0.000 0.000 1.180 36 R CB 0.288 30.588 30.300 0.000 0.000 1.128 36 R HN 0.742 nan 8.270 nan 0.000 0.568 37 N N -0.210 118.489 118.700 -0.001 0.000 2.489 37 N HA 0.359 5.099 4.740 -0.000 0.000 0.284 37 N C -0.749 174.760 175.510 -0.002 0.000 1.158 37 N CA -0.674 52.374 53.050 -0.002 0.000 0.965 37 N CB 1.643 40.129 38.487 -0.002 0.000 1.195 37 N HN 0.047 nan 8.380 nan 0.000 0.506 38 V N 1.335 121.248 119.914 -0.002 0.000 2.495 38 V HA 0.241 4.361 4.120 -0.000 0.000 0.298 38 V C -0.016 176.077 176.094 -0.002 0.000 1.031 38 V CA -0.851 61.447 62.300 -0.002 0.000 0.871 38 V CB 1.935 33.757 31.823 -0.003 0.000 0.988 38 V HN 0.402 nan 8.190 nan 0.000 0.432 39 V N 6.074 125.986 119.914 -0.002 0.000 2.383 39 V HA 0.405 4.525 4.120 -0.000 0.000 0.275 39 V C -0.440 175.653 176.094 -0.002 0.000 1.036 39 V CA -0.506 61.793 62.300 -0.002 0.000 0.889 39 V CB 1.334 33.156 31.823 -0.002 0.000 0.985 39 V HN 0.488 nan 8.190 nan 0.000 0.459 40 L N 4.351 125.573 121.223 -0.001 0.000 2.316 40 L HA 0.498 4.838 4.340 -0.000 0.000 0.280 40 L C 0.099 176.969 176.870 0.001 0.000 1.006 40 L CA -0.303 54.537 54.840 -0.001 0.000 0.836 40 L CB 0.952 43.010 42.059 -0.001 0.000 1.221 40 L HN 0.606 nan 8.230 nan 0.000 0.418 41 D N 3.344 123.744 120.400 -0.001 0.000 2.364 41 D HA 0.199 4.839 4.640 -0.000 0.000 0.236 41 D C -0.095 176.208 176.300 0.006 0.000 1.221 41 D CA 0.481 54.480 54.000 -0.001 0.000 0.891 41 D CB 0.819 41.615 40.800 -0.007 0.000 1.190 41 D HN 0.418 nan 8.370 nan 0.000 0.449 42 K N 0.219 120.626 120.400 0.011 0.000 2.546 42 K HA 0.238 4.558 4.320 -0.000 0.000 0.264 42 K C 0.439 177.060 176.600 0.036 0.000 0.937 42 K CA -0.536 55.770 56.287 0.032 0.000 0.833 42 K CB 1.229 33.753 32.500 0.040 0.000 1.378 42 K HN 0.363 nan 8.250 nan 0.000 0.432 43 S N 1.764 117.509 115.700 0.074 0.000 2.406 43 S HA -0.005 4.465 4.470 -0.000 0.000 0.211 43 S C 0.570 175.154 174.600 -0.027 0.000 1.045 43 S CA 0.861 59.067 58.200 0.010 0.000 1.058 43 S CB -0.504 62.761 63.200 0.108 0.000 1.044 43 S HN 0.448 nan 8.310 nan 0.000 0.413 44 F N 2.394 122.338 119.950 -0.010 0.000 2.429 44 F HA 0.548 5.075 4.527 -0.000 0.000 0.348 44 F C 1.402 177.197 175.800 -0.009 0.000 1.109 44 F CA 0.206 58.201 58.000 -0.009 0.000 1.232 44 F CB -0.435 38.560 39.000 -0.009 0.000 1.157 44 F HN 0.665 nan 8.300 nan 0.000 0.564 45 G N 0.763 109.646 108.800 0.139 0.000 2.725 45 G HA2 0.212 4.172 3.960 -0.000 0.000 0.220 45 G HA3 0.212 4.172 3.960 -0.000 0.000 0.220 45 G C -0.623 174.303 174.900 0.043 0.000 1.357 45 G CA -0.765 44.384 45.100 0.081 0.000 0.866 45 G HN 1.129 nan 8.290 nan 0.000 0.548 46 A N 1.113 123.952 122.820 0.032 0.000 2.351 46 A HA 0.775 5.095 4.320 -0.000 0.000 0.257 46 A C -0.679 176.915 177.584 0.017 0.000 1.087 46 A CA 0.054 52.101 52.037 0.018 0.000 0.798 46 A CB -0.125 18.883 19.000 0.014 0.000 1.033 46 A HN 0.936 nan 8.150 nan 0.000 0.488 47 P HA 0.263 nan 4.420 nan 0.000 0.275 47 P C -0.374 176.930 177.300 0.008 0.000 1.270 47 P CA -0.052 63.053 63.100 0.008 0.000 0.791 47 P CB 0.342 32.044 31.700 0.002 0.000 1.089 48 T N 0.627 115.185 114.554 0.006 0.000 2.792 48 T HA 0.525 4.875 4.350 -0.000 0.000 0.280 48 T C 0.100 174.801 174.700 0.001 0.000 0.990 48 T CA -0.363 61.740 62.100 0.004 0.000 0.960 48 T CB 0.109 68.980 68.868 0.004 0.000 0.939 48 T HN 0.161 nan 8.240 nan 0.000 0.439 49 I N 2.683 123.253 120.570 0.001 0.000 2.359 49 I HA 0.544 4.714 4.170 -0.000 0.000 0.294 49 I C 0.442 176.558 176.117 -0.002 0.000 0.987 49 I CA -0.544 60.755 61.300 -0.001 0.000 1.225 49 I CB 1.705 39.705 38.000 -0.001 0.000 1.366 49 I HN 0.442 nan 8.210 nan 0.000 0.466 50 T N 4.257 118.810 114.554 -0.002 0.000 2.923 50 T HA 0.316 4.666 4.350 -0.000 0.000 0.311 50 T C -0.100 174.598 174.700 -0.004 0.000 1.183 50 T CA -0.556 61.542 62.100 -0.003 0.000 1.020 50 T CB 1.696 70.562 68.868 -0.004 0.000 1.165 50 T HN 0.650 nan 8.240 nan 0.000 0.482 51 K N 1.742 122.139 120.400 -0.004 0.000 2.440 51 K HA 0.246 4.566 4.320 -0.000 0.000 0.206 51 K C -0.567 176.029 176.600 -0.006 0.000 1.025 51 K CA -0.150 56.134 56.287 -0.005 0.000 1.135 51 K CB 0.436 32.933 32.500 -0.005 0.000 0.856 51 K HN 0.389 nan 8.250 nan 0.000 0.502 52 D N -0.561 119.835 120.400 -0.006 0.000 2.472 52 D HA 0.164 4.804 4.640 -0.000 0.000 0.234 52 D C 1.159 177.454 176.300 -0.009 0.000 1.088 52 D CA -0.429 53.566 54.000 -0.008 0.000 0.882 52 D CB 1.131 41.926 40.800 -0.009 0.000 1.037 52 D HN 0.151 nan 8.370 nan 0.000 0.520 53 G N 2.324 111.118 108.800 -0.010 0.000 2.556 53 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 53 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 53 G C 1.557 176.449 174.900 -0.013 0.000 1.156 53 G CA 1.174 46.268 45.100 -0.011 0.000 0.766 53 G HN 0.473 nan 8.290 nan 0.000 0.583 54 V N 0.611 120.515 119.914 -0.017 0.000 2.282 54 V HA -0.222 3.898 4.120 -0.000 0.000 0.249 54 V C 3.087 179.171 176.094 -0.017 0.000 1.057 54 V CA 2.392 64.680 62.300 -0.020 0.000 1.032 54 V CB -0.708 31.100 31.823 -0.024 0.000 0.645 54 V HN 0.402 nan 8.190 nan 0.000 0.447 55 S N -0.737 114.955 115.700 -0.014 0.000 2.382 55 S HA -0.139 4.331 4.470 -0.000 0.000 0.228 55 S C 1.920 176.514 174.600 -0.010 0.000 1.027 55 S CA 1.395 59.589 58.200 -0.011 0.000 0.991 55 S CB -0.080 63.115 63.200 -0.009 0.000 0.823 55 S HN 0.380 nan 8.310 nan 0.000 0.469 56 V N 1.720 121.629 119.914 -0.009 0.000 2.270 56 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 56 V C 2.637 178.725 176.094 -0.009 0.000 1.043 56 V CA 1.672 63.968 62.300 -0.008 0.000 1.014 56 V CB -1.233 30.586 31.823 -0.006 0.000 0.645 56 V HN 0.522 nan 8.190 nan 0.000 0.447 57 A N 0.389 123.203 122.820 -0.011 0.000 1.892 57 A HA -0.346 3.974 4.320 -0.000 0.000 0.218 57 A C 2.363 179.939 177.584 -0.013 0.000 1.188 57 A CA 2.574 54.603 52.037 -0.012 0.000 0.631 57 A CB -0.746 18.245 19.000 -0.016 0.000 0.822 57 A HN 0.526 nan 8.150 nan 0.000 0.447 58 R N -0.655 119.836 120.500 -0.014 0.000 2.154 58 R HA -0.233 4.107 4.340 -0.000 0.000 0.248 58 R C 1.768 178.061 176.300 -0.013 0.000 1.155 58 R CA 2.047 58.138 56.100 -0.015 0.000 0.979 58 R CB -0.214 30.076 30.300 -0.016 0.000 0.869 58 R HN 0.479 nan 8.270 nan 0.000 0.452 59 E N -0.122 120.071 120.200 -0.010 0.000 2.299 59 E HA 0.068 4.418 4.350 -0.000 0.000 0.193 59 E C -0.114 176.481 176.600 -0.008 0.000 0.998 59 E CA 0.190 56.585 56.400 -0.009 0.000 0.851 59 E CB 0.217 29.913 29.700 -0.007 0.000 0.795 59 E HN 0.218 nan 8.360 nan 0.000 0.492 60 I N 1.969 122.535 120.570 -0.007 0.000 2.517 60 I HA 0.142 4.312 4.170 -0.000 0.000 0.285 60 I C 0.150 176.264 176.117 -0.006 0.000 1.106 60 I CA 0.450 61.746 61.300 -0.005 0.000 1.402 60 I CB 0.252 38.250 38.000 -0.004 0.000 1.399 60 I HN 0.057 nan 8.210 nan 0.000 0.535 61 E N 6.945 127.142 120.200 -0.005 0.000 2.343 61 E HA 0.478 4.828 4.350 -0.000 0.000 0.286 61 E C -1.728 174.870 176.600 -0.003 0.000 0.915 61 E CA -0.565 55.832 56.400 -0.006 0.000 0.784 61 E CB 1.841 31.535 29.700 -0.009 0.000 1.251 61 E HN 0.449 nan 8.360 nan 0.000 0.407 62 L N 3.151 124.374 121.223 -0.001 0.000 2.358 62 L HA 0.420 4.760 4.340 -0.000 0.000 0.268 62 L C 1.482 178.353 176.870 0.002 0.000 1.032 62 L CA -0.499 54.344 54.840 0.004 0.000 0.805 62 L CB 1.425 43.492 42.059 0.013 0.000 1.253 62 L HN 0.736 nan 8.230 nan 0.000 0.452 63 E N 0.363 120.567 120.200 0.006 0.000 2.033 63 E HA -0.149 4.201 4.350 -0.000 0.000 0.189 63 E C 0.426 177.031 176.600 0.008 0.000 0.979 63 E CA 0.315 56.717 56.400 0.003 0.000 0.802 63 E CB 0.267 29.970 29.700 0.005 0.000 0.763 63 E HN 0.641 nan 8.360 nan 0.000 0.449 64 D N 2.049 122.465 120.400 0.027 0.000 2.346 64 D HA -0.034 4.606 4.640 -0.000 0.000 0.267 64 D C -0.682 175.649 176.300 0.052 0.000 1.320 64 D CA 0.168 54.203 54.000 0.058 0.000 0.951 64 D CB 0.278 41.128 40.800 0.082 0.000 1.079 64 D HN 0.105 nan 8.370 nan 0.000 0.509 65 K N 2.788 123.179 120.400 -0.016 0.000 2.455 65 K HA 0.084 4.404 4.320 -0.000 0.000 0.269 65 K C 0.525 177.095 176.600 -0.051 0.000 0.972 65 K CA -0.345 55.868 56.287 -0.123 0.000 0.938 65 K CB 0.714 33.046 32.500 -0.280 0.000 0.931 65 K HN 0.355 nan 8.250 nan 0.000 0.507 66 F N -1.388 118.550 119.950 -0.021 0.000 2.511 66 F HA -0.338 4.189 4.527 -0.000 0.000 0.763 66 F C 1.962 177.753 175.800 -0.016 0.000 0.485 66 F CA 1.589 59.575 58.000 -0.023 0.000 0.803 66 F CB -1.409 37.575 39.000 -0.027 0.000 1.635 66 F HN 0.751 nan 8.300 nan 0.000 0.281 67 E N 0.341 120.677 120.200 0.227 0.000 2.086 67 E HA -0.322 4.028 4.350 -0.000 0.000 0.205 67 E C 1.597 178.240 176.600 0.071 0.000 1.027 67 E CA 2.019 58.484 56.400 0.109 0.000 0.830 67 E CB -0.376 29.374 29.700 0.082 0.000 0.751 67 E HN 0.451 nan 8.360 nan 0.000 0.456 68 N N -0.125 118.606 118.700 0.050 0.000 2.061 68 N HA -0.197 4.543 4.740 -0.000 0.000 0.193 68 N C 1.735 177.254 175.510 0.015 0.000 1.030 68 N CA 1.677 54.737 53.050 0.017 0.000 0.856 68 N CB -0.040 38.442 38.487 -0.010 0.000 1.023 68 N HN 0.144 nan 8.380 nan 0.000 0.424 69 M N -0.749 118.864 119.600 0.021 0.000 2.086 69 M HA -0.071 4.409 4.480 -0.000 0.000 0.261 69 M C 2.280 178.600 176.300 0.033 0.000 1.067 69 M CA 1.668 56.979 55.300 0.019 0.000 1.116 69 M CB -0.919 31.697 32.600 0.027 0.000 1.348 69 M HN 0.315 nan 8.290 nan 0.000 0.407 70 G N 0.372 109.204 108.800 0.053 0.000 2.574 70 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 70 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 70 G C 1.599 176.515 174.900 0.027 0.000 1.173 70 G CA 1.526 46.651 45.100 0.042 0.000 0.772 70 G HN 0.568 nan 8.290 nan 0.000 0.585 71 A N -0.584 122.249 122.820 0.023 0.000 1.897 71 A HA 0.010 4.330 4.320 -0.000 0.000 0.215 71 A C 2.386 179.974 177.584 0.007 0.000 1.181 71 A CA 1.846 53.890 52.037 0.013 0.000 0.620 71 A CB -0.329 18.677 19.000 0.011 0.000 0.821 71 A HN 0.318 nan 8.150 nan 0.000 0.443 72 Q N -0.801 119.002 119.800 0.005 0.000 2.226 72 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 72 Q C 1.979 177.979 176.000 -0.001 0.000 0.975 72 Q CA 1.371 57.173 55.803 -0.001 0.000 0.866 72 Q CB -0.426 28.309 28.738 -0.005 0.000 0.915 72 Q HN 0.770 nan 8.270 nan 0.000 0.440 73 M N -0.762 118.842 119.600 0.007 0.000 2.098 73 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 73 M C 2.218 178.522 176.300 0.007 0.000 1.072 73 M CA 0.991 56.298 55.300 0.011 0.000 1.133 73 M CB -0.137 32.476 32.600 0.021 0.000 1.344 73 M HN -0.065 nan 8.290 nan 0.000 0.414 74 V N 0.566 120.486 119.914 0.009 0.000 2.332 74 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 74 V C 2.161 178.248 176.094 -0.010 0.000 1.055 74 V CA 1.789 64.093 62.300 0.006 0.000 1.038 74 V CB -0.770 31.059 31.823 0.010 0.000 0.651 74 V HN 0.436 nan 8.190 nan 0.000 0.450 75 K N -0.345 120.047 120.400 -0.013 0.000 2.074 75 K HA -0.260 4.060 4.320 -0.000 0.000 0.209 75 K C 2.294 178.870 176.600 -0.041 0.000 1.048 75 K CA 1.918 58.190 56.287 -0.024 0.000 0.926 75 K CB -0.197 32.292 32.500 -0.018 0.000 0.713 75 K HN 0.527 nan 8.250 nan 0.000 0.444 76 E N 0.441 120.619 120.200 -0.037 0.000 2.072 76 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 76 E C 2.013 178.552 176.600 -0.102 0.000 0.985 76 E CA 0.812 57.180 56.400 -0.053 0.000 0.801 76 E CB 0.207 29.889 29.700 -0.030 0.000 0.750 76 E HN 0.044 nan 8.360 nan 0.000 0.452 77 V N 1.034 120.896 119.914 -0.086 0.000 2.261 77 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 77 V C 2.403 178.343 176.094 -0.257 0.000 1.047 77 V CA 1.954 64.173 62.300 -0.135 0.000 1.015 77 V CB -0.598 31.229 31.823 0.007 0.000 0.642 77 V HN 0.408 nan 8.190 nan 0.000 0.446 78 A N -0.987 121.756 122.820 -0.129 0.000 1.940 78 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 78 A C 2.549 180.041 177.584 -0.154 0.000 1.176 78 A CA 2.278 54.248 52.037 -0.112 0.000 0.631 78 A CB -0.813 18.158 19.000 -0.049 0.000 0.814 78 A HN 0.539 nan 8.150 nan 0.000 0.446 79 S N -0.586 115.026 115.700 -0.147 0.000 2.368 79 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 79 S C 2.049 176.530 174.600 -0.199 0.000 1.030 79 S CA 1.931 60.050 58.200 -0.135 0.000 0.999 79 S CB -0.306 62.836 63.200 -0.095 0.000 0.844 79 S HN 0.594 nan 8.310 nan 0.000 0.459 80 K N 0.448 120.650 120.400 -0.331 0.000 2.147 80 K HA 0.033 4.353 4.320 -0.000 0.000 0.205 80 K C 2.309 178.609 176.600 -0.500 0.000 1.049 80 K CA 0.911 56.925 56.287 -0.454 0.000 0.936 80 K CB -0.413 31.683 32.500 -0.673 0.000 0.722 80 K HN 0.457 nan 8.250 nan 0.000 0.446 81 A N 1.878 124.363 122.820 -0.558 0.000 1.859 81 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 81 A C 1.979 179.524 177.584 -0.065 0.000 1.198 81 A CA 1.943 53.897 52.037 -0.139 0.000 0.629 81 A CB -0.867 18.116 19.000 -0.028 0.000 0.830 81 A HN 0.346 nan 8.150 nan 0.000 0.446 82 N N 0.115 118.751 118.700 -0.106 0.000 2.149 82 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 82 N C 0.875 176.324 175.510 -0.102 0.000 1.019 82 N CA 1.727 54.716 53.050 -0.101 0.000 0.857 82 N CB -0.343 38.082 38.487 -0.102 0.000 0.997 82 N HN 0.452 nan 8.380 nan 0.000 0.426 83 D N -0.024 120.325 120.400 -0.087 0.000 2.219 83 D HA -0.041 4.599 4.640 -0.000 0.000 0.205 83 D C 0.913 177.216 176.300 0.005 0.000 0.970 83 D CA 0.605 54.580 54.000 -0.042 0.000 0.851 83 D CB -0.072 40.701 40.800 -0.045 0.000 0.943 83 D HN 0.308 nan 8.370 nan 0.000 0.488 84 A N -0.918 121.915 122.820 0.021 0.000 2.574 84 A HA 0.703 5.023 4.320 -0.000 0.000 0.283 84 A C 1.087 178.714 177.584 0.072 0.000 1.270 84 A CA 0.522 52.606 52.037 0.079 0.000 0.945 84 A CB 0.482 19.580 19.000 0.163 0.000 1.127 84 A HN 0.152 nan 8.150 nan 0.000 0.522 85 A N -2.457 120.380 122.820 0.029 0.000 1.703 85 A HA 0.538 4.858 4.320 -0.000 0.000 0.152 85 A C 1.306 178.863 177.584 -0.046 0.000 1.447 85 A CA 0.846 52.895 52.037 0.020 0.000 1.675 85 A CB -0.484 18.528 19.000 0.021 0.000 1.582 85 A HN 1.692 nan 8.150 nan 0.000 0.983 86 G N -0.992 107.703 108.800 -0.174 0.000 2.870 86 G HA2 0.176 4.136 3.960 -0.000 0.000 0.216 86 G HA3 0.176 4.136 3.960 -0.000 0.000 0.216 86 G C -0.450 174.318 174.900 -0.222 0.000 0.973 86 G CA 0.697 45.557 45.100 -0.399 0.000 0.807 86 G HN 0.769 nan 8.290 nan 0.000 0.573 87 D N -2.110 118.220 120.400 -0.117 0.000 2.779 87 D HA 0.494 5.134 4.640 -0.000 0.000 0.331 87 D C 0.979 177.253 176.300 -0.043 0.000 1.331 87 D CA 0.437 54.395 54.000 -0.070 0.000 0.866 87 D CB 0.972 41.746 40.800 -0.043 0.000 1.409 87 D HN 1.117 nan 8.370 nan 0.000 0.486 88 G N -0.516 108.268 108.800 -0.027 0.000 2.238 88 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 88 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 88 G C 1.106 175.999 174.900 -0.012 0.000 0.996 88 G CA 0.989 46.084 45.100 -0.008 0.000 0.632 88 G HN 0.508 nan 8.290 nan 0.000 0.503 89 T N 1.400 115.936 114.554 -0.030 0.000 2.635 89 T HA -0.264 4.086 4.350 -0.000 0.000 0.265 89 T C 2.418 177.106 174.700 -0.020 0.000 1.058 89 T CA 2.852 64.931 62.100 -0.035 0.000 1.162 89 T CB -0.785 68.057 68.868 -0.043 0.000 0.859 89 T HN 0.582 nan 8.240 nan 0.000 0.449 90 T N 1.604 116.149 114.554 -0.015 0.000 2.812 90 T HA -0.080 4.270 4.350 -0.000 0.000 0.264 90 T C 2.349 177.049 174.700 0.000 0.000 1.042 90 T CA 1.604 63.700 62.100 -0.007 0.000 1.140 90 T CB -0.709 68.155 68.868 -0.007 0.000 0.870 90 T HN 0.482 nan 8.240 nan 0.000 0.445 91 T N 2.417 116.973 114.554 0.003 0.000 2.674 91 T HA -0.047 4.303 4.350 -0.000 0.000 0.265 91 T C 2.472 177.183 174.700 0.018 0.000 1.039 91 T CA 1.159 63.266 62.100 0.011 0.000 1.150 91 T CB -0.770 68.106 68.868 0.014 0.000 0.864 91 T HN 0.426 nan 8.240 nan 0.000 0.427 92 A N 1.825 124.657 122.820 0.022 0.000 1.896 92 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 92 A C 2.574 180.173 177.584 0.025 0.000 1.206 92 A CA 2.663 54.720 52.037 0.034 0.000 0.647 92 A CB -1.628 17.388 19.000 0.025 0.000 0.828 92 A HN 0.517 nan 8.150 nan 0.000 0.455 93 T N -0.323 114.237 114.554 0.010 0.000 2.652 93 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 93 T C 1.875 176.582 174.700 0.012 0.000 1.039 93 T CA 1.756 63.861 62.100 0.008 0.000 1.153 93 T CB -0.655 68.213 68.868 0.000 0.000 0.863 93 T HN 0.194 nan 8.240 nan 0.000 0.428 94 V N 1.320 121.240 119.914 0.011 0.000 2.392 94 V HA -0.129 3.991 4.120 -0.000 0.000 0.249 94 V C 2.440 178.543 176.094 0.014 0.000 1.059 94 V CA 1.463 63.770 62.300 0.011 0.000 1.051 94 V CB -0.719 31.110 31.823 0.010 0.000 0.658 94 V HN 0.398 nan 8.190 nan 0.000 0.455 95 L N -0.295 120.939 121.223 0.019 0.000 2.068 95 L HA -0.035 4.305 4.340 -0.000 0.000 0.204 95 L C 2.759 179.643 176.870 0.023 0.000 1.076 95 L CA 1.317 56.170 54.840 0.021 0.000 0.753 95 L CB -0.752 41.323 42.059 0.027 0.000 0.910 95 L HN 0.320 nan 8.230 nan 0.000 0.439 96 A N -0.315 122.522 122.820 0.027 0.000 1.873 96 A HA -0.344 3.976 4.320 -0.000 0.000 0.218 96 A C 2.231 179.828 177.584 0.022 0.000 1.193 96 A CA 2.214 54.268 52.037 0.029 0.000 0.629 96 A CB -0.828 18.191 19.000 0.032 0.000 0.826 96 A HN 0.526 nan 8.150 nan 0.000 0.447 97 Q N -0.633 119.177 119.800 0.017 0.000 2.152 97 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 97 Q C 2.093 178.101 176.000 0.013 0.000 0.985 97 Q CA 1.858 57.670 55.803 0.014 0.000 0.863 97 Q CB -0.334 28.410 28.738 0.011 0.000 0.904 97 Q HN 0.638 nan 8.270 nan 0.000 0.422 98 A N 0.366 123.194 122.820 0.014 0.000 1.897 98 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 98 A C 1.911 179.502 177.584 0.012 0.000 1.181 98 A CA 1.110 53.154 52.037 0.012 0.000 0.620 98 A CB -0.394 18.613 19.000 0.012 0.000 0.821 98 A HN 0.446 nan 8.150 nan 0.000 0.443 99 I N -0.208 120.371 120.570 0.015 0.000 2.162 99 I HA -0.185 3.985 4.170 -0.000 0.000 0.238 99 I C 2.246 178.372 176.117 0.014 0.000 1.076 99 I CA 1.126 62.435 61.300 0.015 0.000 1.353 99 I CB -0.500 37.510 38.000 0.017 0.000 1.063 99 I HN 0.231 nan 8.210 nan 0.000 0.408 100 I N 0.672 121.252 120.570 0.016 0.000 2.145 100 I HA -0.346 3.824 4.170 -0.000 0.000 0.244 100 I C 2.651 178.775 176.117 0.012 0.000 1.075 100 I CA 1.802 63.112 61.300 0.016 0.000 1.332 100 I CB -0.897 37.114 38.000 0.018 0.000 1.033 100 I HN 0.282 nan 8.210 nan 0.000 0.410 101 T N 0.069 114.629 114.554 0.011 0.000 2.684 101 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 101 T C 1.850 176.554 174.700 0.007 0.000 1.036 101 T CA 1.422 63.528 62.100 0.008 0.000 1.148 101 T CB -0.108 68.765 68.868 0.008 0.000 0.863 101 T HN 0.312 nan 8.240 nan 0.000 0.436 102 E N 0.126 120.330 120.200 0.008 0.000 2.122 102 E HA 0.093 4.443 4.350 -0.000 0.000 0.190 102 E C 2.444 179.048 176.600 0.007 0.000 0.977 102 E CA 0.695 57.099 56.400 0.007 0.000 0.820 102 E CB -0.701 29.003 29.700 0.007 0.000 0.770 102 E HN 0.521 nan 8.360 nan 0.000 0.462 103 G N 1.865 110.670 108.800 0.009 0.000 2.511 103 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 103 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 103 G C 1.529 176.434 174.900 0.009 0.000 1.218 103 G CA 0.595 45.701 45.100 0.009 0.000 0.788 103 G HN 0.154 nan 8.290 nan 0.000 0.560 104 L N 0.862 122.091 121.223 0.009 0.000 2.043 104 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 104 L C 2.720 179.593 176.870 0.005 0.000 1.075 104 L CA 1.785 56.630 54.840 0.008 0.000 0.752 104 L CB -0.807 41.257 42.059 0.008 0.000 0.891 104 L HN 0.234 nan 8.230 nan 0.000 0.432 105 K N -1.368 119.035 120.400 0.005 0.000 2.103 105 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 105 K C 2.022 178.623 176.600 0.003 0.000 1.048 105 K CA 1.342 57.631 56.287 0.003 0.000 0.930 105 K CB -0.079 32.423 32.500 0.003 0.000 0.716 105 K HN 0.378 nan 8.250 nan 0.000 0.444 106 A N 0.418 123.240 122.820 0.004 0.000 1.872 106 A HA -0.105 4.215 4.320 -0.000 0.000 0.214 106 A C 2.181 179.767 177.584 0.004 0.000 1.187 106 A CA 1.509 53.548 52.037 0.004 0.000 0.614 106 A CB -0.825 18.178 19.000 0.005 0.000 0.826 106 A HN 0.255 nan 8.150 nan 0.000 0.442 107 V N -0.712 119.205 119.914 0.005 0.000 2.407 107 V HA -0.119 4.001 4.120 -0.000 0.000 0.248 107 V C 2.427 178.523 176.094 0.005 0.000 1.055 107 V CA 2.426 64.730 62.300 0.006 0.000 1.049 107 V CB -1.005 30.823 31.823 0.009 0.000 0.662 107 V HN 0.558 nan 8.190 nan 0.000 0.455 108 A N -0.100 122.723 122.820 0.004 0.000 2.121 108 A HA 0.286 4.606 4.320 -0.000 0.000 0.218 108 A C 2.340 179.924 177.584 0.001 0.000 1.154 108 A CA 1.655 53.693 52.037 0.002 0.000 0.679 108 A CB -0.776 18.224 19.000 0.000 0.000 0.795 108 A HN 1.082 nan 8.150 nan 0.000 0.458 109 A N -1.825 120.996 122.820 0.001 0.000 2.132 109 A HA 0.431 4.751 4.320 -0.000 0.000 0.213 109 A C 1.551 179.135 177.584 0.001 0.000 1.154 109 A CA 1.204 53.242 52.037 0.001 0.000 0.753 109 A CB -0.427 18.574 19.000 0.001 0.000 0.826 109 A HN 1.756 nan 8.150 nan 0.000 0.469 110 G N -1.511 107.290 108.800 0.001 0.000 2.189 110 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.113 110 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.113 110 G C -0.141 174.760 174.900 0.001 0.000 1.038 110 G CA 0.003 45.103 45.100 0.001 0.000 0.704 110 G HN 0.269 nan 8.290 nan 0.000 0.490 111 M N 0.191 119.793 119.600 0.002 0.000 2.705 111 M HA 0.412 4.892 4.480 -0.000 0.000 0.311 111 M C 0.199 176.502 176.300 0.004 0.000 1.214 111 M CA -0.970 54.331 55.300 0.003 0.000 0.920 111 M CB 1.292 33.894 32.600 0.003 0.000 1.687 111 M HN 0.080 nan 8.290 nan 0.000 0.481 112 N N 2.116 120.819 118.700 0.004 0.000 2.416 112 N HA 0.126 4.866 4.740 -0.000 0.000 0.265 112 N C -2.124 173.390 175.510 0.006 0.000 1.195 112 N CA -1.204 51.849 53.050 0.004 0.000 0.943 112 N CB 1.096 39.586 38.487 0.004 0.000 1.115 112 N HN 0.269 nan 8.380 nan 0.000 0.481 113 P HA -0.103 nan 4.420 nan 0.000 0.218 113 P C 1.274 178.580 177.300 0.010 0.000 1.148 113 P CA 1.103 64.209 63.100 0.010 0.000 0.822 113 P CB 0.297 32.005 31.700 0.013 0.000 0.784 114 M N -1.039 118.566 119.600 0.009 0.000 2.236 114 M HA -0.073 4.407 4.480 -0.000 0.000 0.266 114 M C 1.413 177.717 176.300 0.006 0.000 1.070 114 M CA 1.589 56.894 55.300 0.008 0.000 1.137 114 M CB -0.838 31.766 32.600 0.007 0.000 1.378 114 M HN -0.216 nan 8.290 nan 0.000 0.426 115 D N -0.240 120.163 120.400 0.006 0.000 2.097 115 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 115 D C 2.081 178.384 176.300 0.005 0.000 0.984 115 D CA 1.295 55.298 54.000 0.005 0.000 0.826 115 D CB -0.326 40.477 40.800 0.004 0.000 0.973 115 D HN 0.312 nan 8.370 nan 0.000 0.460 116 L N 0.849 122.076 121.223 0.006 0.000 2.042 116 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 116 L C 2.546 179.420 176.870 0.007 0.000 1.076 116 L CA 1.266 56.110 54.840 0.007 0.000 0.749 116 L CB -0.323 41.741 42.059 0.007 0.000 0.893 116 L HN 0.003 nan 8.230 nan 0.000 0.432 117 K N 0.119 120.524 120.400 0.008 0.000 2.057 117 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 117 K C 2.323 178.926 176.600 0.006 0.000 1.049 117 K CA 1.333 57.625 56.287 0.008 0.000 0.931 117 K CB -0.010 32.496 32.500 0.009 0.000 0.714 117 K HN 0.101 nan 8.250 nan 0.000 0.440 118 R N -0.248 120.255 120.500 0.005 0.000 2.080 118 R HA -0.123 4.217 4.340 -0.000 0.000 0.236 118 R C 2.385 178.686 176.300 0.002 0.000 1.137 118 R CA 1.789 57.891 56.100 0.003 0.000 0.943 118 R CB -0.705 29.596 30.300 0.003 0.000 0.846 118 R HN 0.435 nan 8.270 nan 0.000 0.431 119 G N 0.976 109.778 108.800 0.003 0.000 2.514 119 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 119 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 119 G C 1.419 176.321 174.900 0.003 0.000 1.198 119 G CA 1.274 46.376 45.100 0.003 0.000 0.780 119 G HN 0.266 nan 8.290 nan 0.000 0.565 120 I N 1.259 121.832 120.570 0.005 0.000 2.113 120 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 120 I C 2.410 178.528 176.117 0.002 0.000 1.064 120 I CA 1.835 63.138 61.300 0.005 0.000 1.320 120 I CB -0.177 37.828 38.000 0.007 0.000 1.028 120 I HN 0.110 nan 8.210 nan 0.000 0.406 121 D N 0.257 120.657 120.400 0.000 0.000 2.144 121 D HA -0.212 4.428 4.640 -0.000 0.000 0.199 121 D C 2.068 178.366 176.300 -0.004 0.000 0.984 121 D CA 1.139 55.136 54.000 -0.004 0.000 0.834 121 D CB -0.245 40.552 40.800 -0.005 0.000 0.955 121 D HN 0.362 nan 8.370 nan 0.000 0.465 122 K N 0.778 121.176 120.400 -0.002 0.000 2.025 122 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 122 K C 2.062 178.662 176.600 -0.001 0.000 1.049 122 K CA 1.170 57.456 56.287 -0.001 0.000 0.933 122 K CB -0.012 32.488 32.500 0.000 0.000 0.714 122 K HN 0.003 nan 8.250 nan 0.000 0.438 123 A N 0.633 123.453 122.820 0.001 0.000 1.902 123 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 123 A C 2.232 179.816 177.584 0.001 0.000 1.181 123 A CA 1.745 53.784 52.037 0.002 0.000 0.623 123 A CB -0.724 18.279 19.000 0.004 0.000 0.818 123 A HN 0.177 nan 8.150 nan 0.000 0.443 124 V N -0.375 119.539 119.914 -0.001 0.000 2.343 124 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 124 V C 2.735 178.824 176.094 -0.008 0.000 1.051 124 V CA 2.495 64.792 62.300 -0.005 0.000 1.036 124 V CB -1.339 30.479 31.823 -0.009 0.000 0.654 124 V HN 0.604 nan 8.190 nan 0.000 0.451 125 T N 0.337 114.886 114.554 -0.009 0.000 2.684 125 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 125 T C 2.063 176.760 174.700 -0.005 0.000 1.036 125 T CA 1.815 63.909 62.100 -0.009 0.000 1.148 125 T CB -0.447 68.417 68.868 -0.008 0.000 0.863 125 T HN 0.588 nan 8.240 nan 0.000 0.436 126 A N 1.411 124.230 122.820 -0.002 0.000 1.858 126 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 126 A C 2.655 180.240 177.584 0.003 0.000 1.190 126 A CA 1.943 53.980 52.037 0.001 0.000 0.617 126 A CB -1.199 17.802 19.000 0.002 0.000 0.827 126 A HN 0.512 nan 8.150 nan 0.000 0.443 127 A N -0.615 122.206 122.820 0.003 0.000 1.933 127 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 127 A C 2.189 179.775 177.584 0.004 0.000 1.175 127 A CA 1.771 53.811 52.037 0.005 0.000 0.628 127 A CB -0.921 18.083 19.000 0.007 0.000 0.814 127 A HN 0.423 nan 8.150 nan 0.000 0.444 128 V N -0.142 119.772 119.914 -0.001 0.000 2.490 128 V HA -0.221 3.899 4.120 -0.000 0.000 0.250 128 V C 2.573 178.667 176.094 0.001 0.000 1.061 128 V CA 2.289 64.588 62.300 -0.003 0.000 1.064 128 V CB -0.710 31.106 31.823 -0.011 0.000 0.670 128 V HN 0.515 nan 8.190 nan 0.000 0.461 129 E N 0.224 120.425 120.200 0.001 0.000 2.015 129 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 129 E C 2.347 178.951 176.600 0.006 0.000 0.991 129 E CA 1.107 57.509 56.400 0.003 0.000 0.802 129 E CB -0.342 29.360 29.700 0.003 0.000 0.759 129 E HN 0.512 nan 8.360 nan 0.000 0.447 130 E N 0.036 120.240 120.200 0.008 0.000 2.130 130 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 130 E C 2.144 178.752 176.600 0.013 0.000 0.998 130 E CA 0.663 57.070 56.400 0.011 0.000 0.806 130 E CB -0.262 29.446 29.700 0.012 0.000 0.738 130 E HN 0.158 nan 8.360 nan 0.000 0.459 131 L N 1.426 122.656 121.223 0.012 0.000 2.046 131 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 131 L C 2.187 179.065 176.870 0.013 0.000 1.077 131 L CA 1.668 56.517 54.840 0.014 0.000 0.747 131 L CB -0.241 41.826 42.059 0.012 0.000 0.896 131 L HN -0.020 nan 8.230 nan 0.000 0.432 132 K N -1.175 119.232 120.400 0.010 0.000 2.211 132 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 132 K C 1.980 178.587 176.600 0.012 0.000 1.050 132 K CA 1.039 57.332 56.287 0.010 0.000 0.945 132 K CB -0.162 32.342 32.500 0.008 0.000 0.732 132 K HN 0.380 nan 8.250 nan 0.000 0.451 133 A N 1.259 124.086 122.820 0.012 0.000 1.874 133 A HA -0.084 4.236 4.320 -0.000 0.000 0.214 133 A C 2.005 179.598 177.584 0.016 0.000 1.189 133 A CA 0.732 52.777 52.037 0.013 0.000 0.615 133 A CB -0.332 18.676 19.000 0.012 0.000 0.830 133 A HN 0.221 nan 8.150 nan 0.000 0.443 134 L N 0.213 121.447 121.223 0.018 0.000 2.376 134 L HA 0.106 4.446 4.340 -0.000 0.000 0.219 134 L C 1.342 178.226 176.870 0.022 0.000 1.133 134 L CA 1.100 55.953 54.840 0.022 0.000 0.816 134 L CB -0.578 41.497 42.059 0.026 0.000 0.933 134 L HN 0.281 nan 8.230 nan 0.000 0.449 135 S N -0.729 114.982 115.700 0.019 0.000 2.560 135 S HA 0.237 4.707 4.470 -0.000 0.000 0.284 135 S C -0.163 174.447 174.600 0.018 0.000 1.327 135 S CA -0.557 57.654 58.200 0.018 0.000 1.055 135 S CB 0.428 63.638 63.200 0.016 0.000 0.868 135 S HN 0.065 nan 8.310 nan 0.000 0.506 136 V N 7.781 127.706 119.914 0.018 0.000 2.384 136 V HA 0.392 4.512 4.120 -0.000 0.000 0.287 136 V C -2.069 174.034 176.094 0.015 0.000 1.020 136 V CA -1.854 60.456 62.300 0.017 0.000 0.850 136 V CB 1.215 33.049 31.823 0.018 0.000 0.987 136 V HN 0.802 nan 8.190 nan 0.000 0.436 137 P HA 0.062 nan 4.420 nan 0.000 0.267 137 P C -0.533 176.774 177.300 0.012 0.000 1.201 137 P CA -0.079 63.029 63.100 0.012 0.000 0.775 137 P CB 0.380 32.087 31.700 0.011 0.000 0.854 138 C N 2.372 121.679 119.300 0.012 0.000 3.123 138 C HA 0.501 4.961 4.460 -0.000 0.000 0.284 138 C C 1.233 176.229 174.990 0.010 0.000 1.076 138 C CA 0.233 59.258 59.018 0.011 0.000 1.416 138 C CB -1.022 26.725 27.740 0.013 0.000 1.841 138 C HN 0.641 nan 8.230 nan 0.000 0.501 139 S N 2.395 118.100 115.700 0.009 0.000 2.807 139 S HA 0.184 4.654 4.470 -0.000 0.000 0.247 139 S C 0.417 175.021 174.600 0.006 0.000 1.078 139 S CA 0.503 58.708 58.200 0.008 0.000 0.867 139 S CB -0.087 63.117 63.200 0.007 0.000 0.797 139 S HN 0.926 nan 8.310 nan 0.000 0.515 140 D N 0.911 121.315 120.400 0.006 0.000 2.348 140 D HA 0.323 4.963 4.640 -0.000 0.000 0.249 140 D C 0.876 177.179 176.300 0.004 0.000 1.110 140 D CA -0.172 53.831 54.000 0.004 0.000 0.967 140 D CB 1.024 41.827 40.800 0.004 0.000 1.139 140 D HN 0.085 nan 8.370 nan 0.000 0.466 141 S N -0.058 115.644 115.700 0.003 0.000 2.387 141 S HA -0.224 4.246 4.470 -0.000 0.000 0.230 141 S C 1.606 176.207 174.600 0.003 0.000 1.035 141 S CA 1.558 59.759 58.200 0.002 0.000 1.014 141 S CB -0.304 62.897 63.200 0.001 0.000 0.836 141 S HN 0.620 nan 8.310 nan 0.000 0.466 142 K N 0.775 121.177 120.400 0.003 0.000 2.063 142 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 142 K C 2.080 178.682 176.600 0.004 0.000 1.048 142 K CA 1.366 57.655 56.287 0.003 0.000 0.928 142 K CB -0.315 32.187 32.500 0.004 0.000 0.713 142 K HN 0.331 nan 8.250 nan 0.000 0.442 143 A N 0.798 123.621 122.820 0.005 0.000 1.930 143 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 143 A C 1.924 179.512 177.584 0.007 0.000 1.176 143 A CA 0.805 52.846 52.037 0.007 0.000 0.632 143 A CB -0.341 18.664 19.000 0.008 0.000 0.819 143 A HN 0.220 nan 8.150 nan 0.000 0.445 144 I N 0.482 121.056 120.570 0.006 0.000 2.099 144 I HA -0.268 3.902 4.170 -0.000 0.000 0.239 144 I C 2.986 179.106 176.117 0.005 0.000 1.066 144 I CA 1.510 62.813 61.300 0.006 0.000 1.324 144 I CB -1.704 36.299 38.000 0.004 0.000 1.037 144 I HN 0.347 nan 8.210 nan 0.000 0.401 145 A N -0.104 122.719 122.820 0.003 0.000 1.917 145 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 145 A C 2.362 179.948 177.584 0.003 0.000 1.182 145 A CA 2.180 54.219 52.037 0.003 0.000 0.633 145 A CB -0.862 18.139 19.000 0.002 0.000 0.819 145 A HN 0.593 nan 8.150 nan 0.000 0.448 146 Q N -0.771 119.031 119.800 0.004 0.000 2.030 146 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 146 Q C 2.037 178.040 176.000 0.005 0.000 0.986 146 Q CA 2.047 57.852 55.803 0.004 0.000 0.843 146 Q CB -0.295 28.446 28.738 0.005 0.000 0.904 146 Q HN 0.380 nan 8.270 nan 0.000 0.420 147 V N 0.221 120.139 119.914 0.007 0.000 2.490 147 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 147 V C 2.065 178.164 176.094 0.010 0.000 1.061 147 V CA 1.963 64.269 62.300 0.009 0.000 1.064 147 V CB -0.730 31.100 31.823 0.012 0.000 0.670 147 V HN 0.655 nan 8.190 nan 0.000 0.461 148 G N -0.325 108.480 108.800 0.009 0.000 2.433 148 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.216 148 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.216 148 G C 1.759 176.662 174.900 0.006 0.000 1.186 148 G CA 1.688 46.793 45.100 0.008 0.000 0.779 148 G HN 0.575 nan 8.290 nan 0.000 0.543 149 T N -0.311 114.245 114.554 0.004 0.000 2.821 149 T HA 0.003 4.353 4.350 -0.000 0.000 0.267 149 T C 2.409 177.109 174.700 0.001 0.000 1.046 149 T CA 1.140 63.241 62.100 0.002 0.000 1.139 149 T CB -0.254 68.614 68.868 0.000 0.000 0.871 149 T HN 0.192 nan 8.240 nan 0.000 0.454 150 I N 1.393 121.964 120.570 0.001 0.000 2.226 150 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 150 I C 3.049 179.166 176.117 -0.000 0.000 1.100 150 I CA 1.345 62.645 61.300 -0.001 0.000 1.374 150 I CB -0.386 37.614 38.000 -0.001 0.000 1.057 150 I HN 0.298 nan 8.210 nan 0.000 0.413 151 S N 0.152 115.854 115.700 0.005 0.000 2.402 151 S HA -0.024 4.446 4.470 -0.000 0.000 0.229 151 S C 1.862 176.466 174.600 0.007 0.000 1.021 151 S CA 1.103 59.308 58.200 0.008 0.000 0.974 151 S CB -0.159 63.051 63.200 0.016 0.000 0.800 151 S HN 0.448 nan 8.310 nan 0.000 0.484 152 A N 1.420 124.244 122.820 0.006 0.000 2.327 152 A HA 0.294 4.614 4.320 -0.000 0.000 0.228 152 A C 0.521 178.105 177.584 0.000 0.000 1.275 152 A CA 0.033 52.073 52.037 0.005 0.000 0.875 152 A CB -0.922 18.081 19.000 0.005 0.000 0.925 152 A HN 0.759 nan 8.150 nan 0.000 0.493 153 N N 0.207 118.906 118.700 -0.002 0.000 2.573 153 N HA -0.194 4.546 4.740 -0.000 0.000 0.275 153 N C -0.120 175.386 175.510 -0.007 0.000 1.208 153 N CA 0.482 53.529 53.050 -0.006 0.000 0.688 153 N CB -1.081 37.401 38.487 -0.007 0.000 0.882 153 N HN 0.405 nan 8.380 nan 0.000 0.548 154 S N 0.313 116.009 115.700 -0.007 0.000 3.521 154 S HA -0.212 4.258 4.470 -0.000 0.000 0.362 154 S C -0.387 174.210 174.600 -0.005 0.000 1.044 154 S CA 1.175 59.371 58.200 -0.007 0.000 1.091 154 S CB -0.650 62.545 63.200 -0.010 0.000 0.908 154 S HN 0.711 nan 8.310 nan 0.000 0.473 155 D N 0.597 120.995 120.400 -0.003 0.000 2.479 155 D HA 0.300 4.940 4.640 -0.000 0.000 0.247 155 D C 1.006 177.305 176.300 -0.002 0.000 1.119 155 D CA -0.485 53.514 54.000 -0.003 0.000 0.922 155 D CB 0.510 41.309 40.800 -0.002 0.000 1.014 155 D HN 0.399 nan 8.370 nan 0.000 0.510 156 E N 0.391 120.590 120.200 -0.002 0.000 2.147 156 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 156 E C 1.792 178.391 176.600 -0.002 0.000 1.005 156 E CA 1.762 58.161 56.400 -0.002 0.000 0.810 156 E CB 0.260 29.959 29.700 -0.002 0.000 0.736 156 E HN 0.577 nan 8.360 nan 0.000 0.460 157 T N -1.622 112.931 114.554 -0.002 0.000 2.881 157 T HA -0.098 4.252 4.350 -0.000 0.000 0.270 157 T C 1.945 176.644 174.700 -0.002 0.000 1.068 157 T CA 1.105 63.203 62.100 -0.003 0.000 1.131 157 T CB -0.268 68.598 68.868 -0.003 0.000 0.871 157 T HN -0.034 nan 8.240 nan 0.000 0.479 158 V N 1.768 121.681 119.914 -0.002 0.000 2.283 158 V HA 0.107 4.227 4.120 -0.000 0.000 0.243 158 V C 3.170 179.263 176.094 -0.001 0.000 1.039 158 V CA 1.707 64.007 62.300 -0.001 0.000 1.016 158 V CB -1.500 30.323 31.823 0.000 0.000 0.650 158 V HN 0.639 nan 8.190 nan 0.000 0.449 159 G N -0.423 108.377 108.800 -0.000 0.000 2.469 159 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.219 159 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.219 159 G C 1.644 176.543 174.900 -0.001 0.000 1.150 159 G CA 1.218 46.318 45.100 0.001 0.000 0.763 159 G HN 0.454 nan 8.290 nan 0.000 0.561 160 K N -0.603 119.796 120.400 -0.001 0.000 2.044 160 K HA -0.122 4.198 4.320 -0.000 0.000 0.210 160 K C 2.471 179.069 176.600 -0.003 0.000 1.049 160 K CA 1.237 57.522 56.287 -0.002 0.000 0.927 160 K CB -0.226 32.272 32.500 -0.002 0.000 0.713 160 K HN 0.235 nan 8.250 nan 0.000 0.443 161 L N 1.035 122.256 121.223 -0.004 0.000 2.027 161 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 161 L C 2.182 179.047 176.870 -0.007 0.000 1.074 161 L CA 1.393 56.229 54.840 -0.006 0.000 0.745 161 L CB -0.476 41.579 42.059 -0.007 0.000 0.898 161 L HN 0.219 nan 8.230 nan 0.000 0.433 162 I N -0.844 119.722 120.570 -0.006 0.000 2.163 162 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 162 I C 2.544 178.657 176.117 -0.006 0.000 1.085 162 I CA 1.331 62.626 61.300 -0.007 0.000 1.347 162 I CB -0.464 37.534 38.000 -0.004 0.000 1.044 162 I HN 0.234 nan 8.210 nan 0.000 0.408 163 A N 0.007 122.825 122.820 -0.004 0.000 1.933 163 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 163 A C 2.213 179.794 177.584 -0.004 0.000 1.175 163 A CA 1.749 53.784 52.037 -0.003 0.000 0.628 163 A CB -0.582 18.417 19.000 -0.001 0.000 0.814 163 A HN 0.454 nan 8.150 nan 0.000 0.444 164 E N -0.565 119.632 120.200 -0.005 0.000 2.150 164 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 164 E C 2.255 178.850 176.600 -0.007 0.000 0.985 164 E CA 0.759 57.156 56.400 -0.006 0.000 0.814 164 E CB -0.188 29.509 29.700 -0.006 0.000 0.752 164 E HN 0.643 nan 8.360 nan 0.000 0.466 165 A N 0.784 123.599 122.820 -0.009 0.000 1.872 165 A HA -0.130 4.190 4.320 -0.000 0.000 0.214 165 A C 2.103 179.681 177.584 -0.011 0.000 1.187 165 A CA 1.037 53.067 52.037 -0.012 0.000 0.614 165 A CB -0.314 18.677 19.000 -0.015 0.000 0.826 165 A HN 0.126 nan 8.150 nan 0.000 0.442 166 M N -0.889 118.706 119.600 -0.009 0.000 2.229 166 M HA -0.129 4.351 4.480 -0.000 0.000 0.264 166 M C 1.621 177.918 176.300 -0.006 0.000 1.063 166 M CA 1.622 56.918 55.300 -0.008 0.000 1.114 166 M CB -0.496 32.101 32.600 -0.006 0.000 1.387 166 M HN 0.367 nan 8.290 nan 0.000 0.420 167 D N 0.642 121.040 120.400 -0.005 0.000 2.218 167 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 167 D C 1.981 178.278 176.300 -0.005 0.000 0.976 167 D CA 1.127 55.125 54.000 -0.004 0.000 0.853 167 D CB 0.264 41.062 40.800 -0.004 0.000 0.939 167 D HN 0.199 nan 8.370 nan 0.000 0.481 168 K N -0.860 119.537 120.400 -0.006 0.000 2.214 168 K HA 0.120 4.440 4.320 -0.000 0.000 0.201 168 K C 1.275 177.871 176.600 -0.007 0.000 1.049 168 K CA 0.217 56.500 56.287 -0.006 0.000 0.978 168 K CB 0.591 33.087 32.500 -0.007 0.000 0.842 168 K HN -0.006 nan 8.250 nan 0.000 0.474 169 V N 0.589 120.498 119.914 -0.008 0.000 3.578 169 V HA 0.225 4.345 4.120 -0.000 0.000 0.290 169 V C -0.100 175.990 176.094 -0.007 0.000 1.376 169 V CA 0.675 62.970 62.300 -0.008 0.000 1.083 169 V CB 0.132 31.949 31.823 -0.011 0.000 0.911 169 V HN 0.568 nan 8.190 nan 0.000 0.433 170 G N 0.655 109.451 108.800 -0.006 0.000 2.730 170 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.686 170 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.686 170 G C 0.147 175.044 174.900 -0.005 0.000 1.343 170 G CA 0.062 45.160 45.100 -0.004 0.000 0.826 170 G HN 0.291 nan 8.290 nan 0.000 0.582 171 K N -0.005 120.393 120.400 -0.003 0.000 2.211 171 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 171 K C 2.119 178.717 176.600 -0.003 0.000 1.050 171 K CA 1.777 58.063 56.287 -0.002 0.000 0.945 171 K CB 0.046 32.547 32.500 0.001 0.000 0.732 171 K HN 0.427 nan 8.250 nan 0.000 0.451 172 E N 0.305 120.504 120.200 -0.002 0.000 2.190 172 E HA 0.036 4.386 4.350 -0.000 0.000 0.191 172 E C 0.713 177.309 176.600 -0.007 0.000 0.978 172 E CA 0.168 56.567 56.400 -0.002 0.000 0.839 172 E CB -0.054 29.647 29.700 0.001 0.000 0.787 172 E HN 0.297 nan 8.360 nan 0.000 0.473 173 G N 0.316 109.111 108.800 -0.008 0.000 2.647 173 G HA2 0.123 4.083 3.960 -0.000 0.000 0.234 173 G HA3 0.123 4.083 3.960 -0.000 0.000 0.234 173 G C -0.120 174.769 174.900 -0.019 0.000 1.252 173 G CA -0.363 44.730 45.100 -0.011 0.000 0.846 173 G HN 0.036 nan 8.290 nan 0.000 0.589 174 V N 1.545 121.447 119.914 -0.021 0.000 2.488 174 V HA 0.335 4.455 4.120 -0.000 0.000 0.277 174 V C 0.287 176.359 176.094 -0.036 0.000 1.046 174 V CA -0.059 62.221 62.300 -0.033 0.000 0.986 174 V CB 0.677 32.480 31.823 -0.034 0.000 0.989 174 V HN 0.479 nan 8.190 nan 0.000 0.475 175 I N 4.771 125.313 120.570 -0.047 0.000 2.447 175 I HA 0.555 4.725 4.170 -0.000 0.000 0.287 175 I C 0.348 176.430 176.117 -0.058 0.000 1.023 175 I CA -0.067 61.205 61.300 -0.047 0.000 1.083 175 I CB 2.208 40.181 38.000 -0.045 0.000 1.245 175 I HN 0.797 nan 8.210 nan 0.000 0.434 176 T N 2.415 116.939 114.554 -0.049 0.000 2.910 176 T HA 0.842 5.192 4.350 -0.000 0.000 0.287 176 T C -0.615 174.062 174.700 -0.038 0.000 1.050 176 T CA -0.876 61.195 62.100 -0.049 0.000 1.011 176 T CB 2.020 70.861 68.868 -0.046 0.000 1.195 176 T HN 0.172 nan 8.240 nan 0.000 0.540 177 V N 1.197 121.091 119.914 -0.034 0.000 2.443 177 V HA 0.481 4.601 4.120 -0.000 0.000 0.293 177 V C -0.214 175.868 176.094 -0.020 0.000 1.021 177 V CA -0.770 61.515 62.300 -0.024 0.000 0.848 177 V CB 1.243 33.053 31.823 -0.021 0.000 0.998 177 V HN 0.955 nan 8.190 nan 0.000 0.424 178 E N 1.797 121.986 120.200 -0.018 0.000 2.239 178 E HA 0.418 4.768 4.350 -0.000 0.000 0.261 178 E C -1.184 175.408 176.600 -0.012 0.000 1.016 178 E CA -0.944 55.446 56.400 -0.016 0.000 0.882 178 E CB 1.366 31.056 29.700 -0.017 0.000 1.190 178 E HN 0.655 nan 8.360 nan 0.000 0.415 179 D N 0.390 120.784 120.400 -0.011 0.000 2.390 179 D HA 0.229 4.869 4.640 -0.000 0.000 0.249 179 D C -0.083 176.212 176.300 -0.010 0.000 1.144 179 D CA 0.241 54.235 54.000 -0.009 0.000 0.880 179 D CB 0.991 41.786 40.800 -0.009 0.000 1.182 179 D HN 0.418 nan 8.370 nan 0.000 0.451 180 G N 0.303 109.098 108.800 -0.009 0.000 2.503 180 G HA2 0.315 4.275 3.960 -0.000 0.000 0.257 180 G HA3 0.315 4.275 3.960 -0.000 0.000 0.257 180 G C 1.060 175.955 174.900 -0.008 0.000 1.214 180 G CA -0.356 44.739 45.100 -0.009 0.000 0.839 180 G HN 0.509 nan 8.290 nan 0.000 0.559 181 T N -0.609 113.940 114.554 -0.008 0.000 3.010 181 T HA 0.304 4.654 4.350 -0.000 0.000 0.252 181 T C 1.351 176.047 174.700 -0.007 0.000 1.047 181 T CA 0.824 62.919 62.100 -0.008 0.000 1.140 181 T CB 0.154 69.017 68.868 -0.009 0.000 0.885 181 T HN 0.720 nan 8.240 nan 0.000 0.464 182 G N 0.863 109.659 108.800 -0.007 0.000 3.008 182 G HA2 0.531 4.491 3.960 -0.000 0.000 0.181 182 G HA3 0.531 4.491 3.960 -0.000 0.000 0.181 182 G C 0.322 175.219 174.900 -0.005 0.000 1.309 182 G CA -0.249 44.847 45.100 -0.006 0.000 1.009 182 G HN 0.244 nan 8.290 nan 0.000 0.584 183 L N -0.900 120.320 121.223 -0.005 0.000 2.375 183 L HA 0.319 4.659 4.340 -0.000 0.000 0.215 183 L C 0.907 177.774 176.870 -0.005 0.000 1.108 183 L CA 0.687 55.525 54.840 -0.005 0.000 0.830 183 L CB -0.336 41.721 42.059 -0.004 0.000 0.959 183 L HN 0.246 nan 8.230 nan 0.000 0.457 184 Q N 1.413 121.210 119.800 -0.005 0.000 2.299 184 Q HA 0.170 4.510 4.340 -0.000 0.000 0.246 184 Q C -0.805 175.191 176.000 -0.006 0.000 0.935 184 Q CA -0.227 55.573 55.803 -0.005 0.000 0.887 184 Q CB 0.791 29.526 28.738 -0.005 0.000 1.223 184 Q HN 0.296 nan 8.270 nan 0.000 0.439 185 D N 1.953 122.350 120.400 -0.006 0.000 2.304 185 D HA 0.176 4.816 4.640 -0.000 0.000 0.250 185 D C -0.250 176.046 176.300 -0.007 0.000 1.107 185 D CA 0.191 54.187 54.000 -0.007 0.000 0.885 185 D CB 1.150 41.947 40.800 -0.006 0.000 1.192 185 D HN 0.345 nan 8.370 nan 0.000 0.436 186 E N 0.646 120.841 120.200 -0.008 0.000 2.277 186 E HA 0.583 4.933 4.350 -0.000 0.000 0.266 186 E C -0.798 175.796 176.600 -0.010 0.000 0.901 186 E CA -0.870 55.525 56.400 -0.009 0.000 0.782 186 E CB 2.550 32.245 29.700 -0.010 0.000 1.228 186 E HN 0.176 nan 8.360 nan 0.000 0.424 187 L N 2.750 123.967 121.223 -0.010 0.000 2.471 187 L HA 0.366 4.706 4.340 -0.000 0.000 0.263 187 L C -1.622 175.241 176.870 -0.011 0.000 0.985 187 L CA -0.436 54.398 54.840 -0.011 0.000 0.868 187 L CB 0.779 42.832 42.059 -0.010 0.000 1.203 187 L HN 0.484 nan 8.230 nan 0.000 0.429 188 D N 3.727 124.120 120.400 -0.012 0.000 2.228 188 D HA 0.498 5.138 4.640 -0.000 0.000 0.247 188 D C -0.497 175.796 176.300 -0.013 0.000 0.995 188 D CA -0.229 53.764 54.000 -0.012 0.000 0.903 188 D CB 2.838 43.631 40.800 -0.013 0.000 1.205 188 D HN 0.266 nan 8.370 nan 0.000 0.459 189 V N -0.884 119.023 119.914 -0.012 0.000 2.459 189 V HA 0.751 4.871 4.120 -0.000 0.000 0.295 189 V C -0.089 175.998 176.094 -0.012 0.000 1.029 189 V CA -0.722 61.571 62.300 -0.012 0.000 0.874 189 V CB 1.589 33.406 31.823 -0.010 0.000 0.985 189 V HN 0.314 nan 8.190 nan 0.000 0.438 190 V N 2.394 122.301 119.914 -0.012 0.000 3.049 190 V HA 0.512 4.632 4.120 -0.000 0.000 0.309 190 V C -0.499 175.589 176.094 -0.010 0.000 1.148 190 V CA -0.544 61.748 62.300 -0.012 0.000 0.990 190 V CB 2.438 34.252 31.823 -0.015 0.000 1.039 190 V HN 1.038 nan 8.190 nan 0.000 0.430 191 E N 3.563 123.758 120.200 -0.008 0.000 2.383 191 E HA 0.439 4.788 4.350 -0.000 0.000 0.257 191 E C 0.198 176.796 176.600 -0.003 0.000 1.079 191 E CA 0.611 57.008 56.400 -0.005 0.000 0.934 191 E CB 0.710 30.407 29.700 -0.004 0.000 0.978 191 E HN 0.944 nan 8.360 nan 0.000 0.462 192 G N 1.703 110.503 108.800 0.000 0.000 2.606 192 G HA2 0.647 4.607 3.960 -0.000 0.000 0.300 192 G HA3 0.647 4.607 3.960 -0.000 0.000 0.300 192 G C -1.208 173.700 174.900 0.013 0.000 1.360 192 G CA -0.654 44.447 45.100 0.003 0.000 0.783 192 G HN 0.374 nan 8.290 nan 0.000 0.484 193 M N -0.089 119.521 119.600 0.017 0.000 2.562 193 M HA 0.546 5.026 4.480 -0.000 0.000 0.281 193 M C -2.296 174.007 176.300 0.005 0.000 1.195 193 M CA -0.638 54.688 55.300 0.042 0.000 0.888 193 M CB 2.500 35.162 32.600 0.103 0.000 1.731 193 M HN 0.710 nan 8.290 nan 0.000 0.493 194 Q N 3.591 123.396 119.800 0.009 0.000 2.305 194 Q HA 0.664 5.004 4.340 -0.000 0.000 0.271 194 Q C -2.213 173.794 176.000 0.011 0.000 1.046 194 Q CA -0.636 55.109 55.803 -0.097 0.000 0.798 194 Q CB 2.038 30.720 28.738 -0.094 0.000 1.286 194 Q HN 0.588 nan 8.270 nan 0.000 0.435 195 F N -0.131 119.817 119.950 -0.002 0.000 2.603 195 F HA 0.519 5.046 4.527 -0.000 0.000 0.317 195 F C -0.425 175.376 175.800 0.001 0.000 1.066 195 F CA -1.242 56.759 58.000 0.001 0.000 0.941 195 F CB 1.143 40.145 39.000 0.005 0.000 1.291 195 F HN 0.322 nan 8.300 nan 0.000 0.472 196 D N 2.269 122.826 120.400 0.262 0.000 2.671 196 D HA 0.176 4.816 4.640 -0.000 0.000 0.228 196 D C -0.485 175.918 176.300 0.172 0.000 1.102 196 D CA 0.427 54.511 54.000 0.141 0.000 1.044 196 D CB -0.051 40.811 40.800 0.104 0.000 1.113 196 D HN 0.400 nan 8.370 nan 0.000 0.480 197 R N -0.450 120.156 120.500 0.177 0.000 2.574 197 R HA 0.515 4.855 4.340 -0.000 0.000 0.288 197 R C 0.044 176.362 176.300 0.030 0.000 1.004 197 R CA -0.552 55.647 56.100 0.165 0.000 0.895 197 R CB 1.933 32.453 30.300 0.367 0.000 1.191 197 R HN 0.182 nan 8.270 nan 0.000 0.444 198 G N 1.477 110.253 108.800 -0.039 0.000 2.488 198 G HA2 0.326 4.286 3.960 -0.000 0.000 0.318 198 G HA3 0.326 4.286 3.960 -0.000 0.000 0.318 198 G C -0.826 174.016 174.900 -0.097 0.000 1.188 198 G CA -0.560 44.424 45.100 -0.193 0.000 0.944 198 G HN 0.541 nan 8.290 nan 0.000 0.495 199 Y N -1.091 119.275 120.300 0.110 0.000 2.652 199 Y HA 0.281 4.831 4.550 0.000 0.000 0.344 199 Y C 0.979 177.007 175.900 0.214 0.000 1.254 199 Y CA -1.143 57.062 58.100 0.175 0.000 1.480 199 Y CB 0.265 38.881 38.460 0.260 0.000 1.345 199 Y HN 0.140 nan 8.280 nan 0.000 0.617 200 L N 1.462 123.009 121.223 0.539 0.000 2.591 200 L HA 0.247 4.587 4.340 -0.000 0.000 0.228 200 L C 0.294 177.420 176.870 0.428 0.000 1.133 200 L CA 0.721 55.814 54.840 0.422 0.000 0.880 200 L CB -0.641 41.617 42.059 0.332 0.000 1.033 200 L HN 0.774 nan 8.230 nan 0.000 0.450 201 S N -1.921 114.085 115.700 0.510 0.000 2.583 201 S HA 0.329 4.799 4.470 -0.000 0.000 0.294 201 S C -2.442 172.100 174.600 -0.098 0.000 1.121 201 S CA -0.656 57.612 58.200 0.114 0.000 0.910 201 S CB 1.319 64.329 63.200 -0.316 0.000 1.102 201 S HN -0.189 nan 8.310 nan 0.000 0.451 202 P HA 0.004 nan 4.420 nan 0.000 0.234 202 P C 0.188 177.279 177.300 -0.348 0.000 1.162 202 P CA 0.815 63.676 63.100 -0.399 0.000 0.759 202 P CB -0.163 31.481 31.700 -0.093 0.000 0.813 203 Y N -3.094 116.920 120.300 -0.477 0.000 2.490 203 Y HA 0.128 4.678 4.550 -0.000 0.000 0.281 203 Y C 1.492 177.142 175.900 -0.417 0.000 1.174 203 Y CA 0.244 58.089 58.100 -0.426 0.000 1.295 203 Y CB -0.786 37.417 38.460 -0.428 0.000 1.062 203 Y HN -0.061 nan 8.280 nan 0.000 0.522 204 F N -0.550 119.365 119.950 -0.058 0.000 2.664 204 F HA 0.136 4.663 4.527 -0.000 0.000 0.296 204 F C 0.946 176.686 175.800 -0.100 0.000 1.125 204 F CA -0.666 57.300 58.000 -0.057 0.000 1.444 204 F CB -0.535 38.445 39.000 -0.032 0.000 1.114 204 F HN -0.194 nan 8.300 nan 0.000 0.576 205 I N 3.327 123.864 120.570 -0.055 0.000 2.845 205 I HA -0.176 3.994 4.170 -0.000 0.000 0.290 205 I C 1.282 177.379 176.117 -0.034 0.000 1.202 205 I CA 0.379 61.633 61.300 -0.077 0.000 1.406 205 I CB 0.242 38.142 38.000 -0.167 0.000 1.383 205 I HN 0.292 nan 8.210 nan 0.000 0.549 206 N N 6.261 124.961 118.700 -0.001 0.000 2.294 206 N HA -0.000 4.740 4.740 -0.000 0.000 0.186 206 N C 0.005 175.508 175.510 -0.010 0.000 1.107 206 N CA 0.015 53.064 53.050 -0.002 0.000 0.884 206 N CB 0.542 39.040 38.487 0.017 0.000 1.030 206 N HN 0.402 nan 8.380 nan 0.000 0.482 207 K N 2.378 122.774 120.400 -0.007 0.000 2.357 207 K HA 0.276 4.596 4.320 -0.000 0.000 0.251 207 K C -1.785 174.807 176.600 -0.014 0.000 1.069 207 K CA -1.650 54.633 56.287 -0.007 0.000 0.994 207 K CB 2.171 34.674 32.500 0.005 0.000 1.411 207 K HN 0.046 nan 8.250 nan 0.000 0.450 208 P HA -0.170 nan 4.420 nan 0.000 0.218 208 P C 0.756 178.044 177.300 -0.019 0.000 1.149 208 P CA 1.151 64.230 63.100 -0.036 0.000 0.817 208 P CB 0.554 32.228 31.700 -0.044 0.000 0.785 209 E N 0.262 120.455 120.200 -0.011 0.000 2.005 209 E HA -0.118 4.232 4.350 -0.000 0.000 0.198 209 E C 2.029 178.634 176.600 0.008 0.000 1.010 209 E CA 1.801 58.199 56.400 -0.003 0.000 0.825 209 E CB -1.558 28.142 29.700 -0.001 0.000 0.769 209 E HN 0.283 nan 8.360 nan 0.000 0.456 210 T N -0.431 114.132 114.554 0.016 0.000 2.929 210 T HA 0.058 4.408 4.350 -0.000 0.000 0.271 210 T C 1.299 176.026 174.700 0.045 0.000 1.085 210 T CA 0.998 63.118 62.100 0.033 0.000 1.125 210 T CB -0.339 68.550 68.868 0.036 0.000 0.874 210 T HN 0.487 nan 8.240 nan 0.000 0.494 211 G N 1.320 110.140 108.800 0.034 0.000 2.272 211 G HA2 0.064 4.024 3.960 -0.000 0.000 0.280 211 G HA3 0.064 4.024 3.960 -0.000 0.000 0.280 211 G C 0.029 174.989 174.900 0.100 0.000 1.067 211 G CA 0.025 45.154 45.100 0.048 0.000 0.902 211 G HN 0.985 nan 8.290 nan 0.000 0.500 212 A N -1.539 121.325 122.820 0.074 0.000 2.483 212 A HA 0.947 5.267 4.320 -0.000 0.000 0.286 212 A C -0.451 177.177 177.584 0.073 0.000 1.207 212 A CA -0.249 51.852 52.037 0.108 0.000 0.764 212 A CB 1.926 20.975 19.000 0.081 0.000 1.341 212 A HN 1.281 nan 8.150 nan 0.000 0.428 213 V N 1.663 121.632 119.914 0.092 0.000 2.325 213 V HA 0.323 4.443 4.120 -0.000 0.000 0.280 213 V C -0.573 175.545 176.094 0.040 0.000 1.016 213 V CA -0.324 62.017 62.300 0.068 0.000 0.818 213 V CB 0.783 32.666 31.823 0.101 0.000 1.019 213 V HN 0.840 nan 8.190 nan 0.000 0.434 214 E N 5.301 125.515 120.200 0.024 0.000 2.174 214 E HA 0.654 5.004 4.350 -0.000 0.000 0.282 214 E C -1.135 175.470 176.600 0.007 0.000 0.992 214 E CA -0.491 55.915 56.400 0.009 0.000 0.803 214 E CB 2.161 31.864 29.700 0.005 0.000 1.090 214 E HN 0.509 nan 8.360 nan 0.000 0.396 215 L N 2.723 123.945 121.223 -0.002 0.000 2.385 215 L HA 0.355 4.695 4.340 -0.000 0.000 0.273 215 L C -0.102 176.760 176.870 -0.014 0.000 0.990 215 L CA -0.920 53.919 54.840 -0.002 0.000 0.821 215 L CB 1.870 43.928 42.059 -0.002 0.000 1.279 215 L HN 0.348 nan 8.230 nan 0.000 0.412 216 E N 1.782 121.974 120.200 -0.013 0.000 2.167 216 E HA 0.116 4.466 4.350 -0.000 0.000 0.284 216 E C 0.315 176.888 176.600 -0.045 0.000 1.016 216 E CA -0.139 56.246 56.400 -0.025 0.000 0.817 216 E CB 1.605 31.296 29.700 -0.017 0.000 1.080 216 E HN 0.689 nan 8.360 nan 0.000 0.397 217 S N 2.580 118.239 115.700 -0.068 0.000 3.230 217 S HA -0.149 4.321 4.470 -0.000 0.000 0.309 217 S C -2.343 172.145 174.600 -0.187 0.000 0.859 217 S CA -0.147 57.981 58.200 -0.120 0.000 1.323 217 S CB -1.517 61.609 63.200 -0.123 0.000 0.875 217 S HN 0.238 nan 8.310 nan 0.000 0.469 218 P HA 0.650 nan 4.420 nan 0.000 0.283 218 P C 0.010 177.194 177.300 -0.193 0.000 1.278 218 P CA -1.001 62.032 63.100 -0.111 0.000 0.834 218 P CB 0.373 32.073 31.700 -0.000 0.000 1.150 219 F N -0.173 119.776 119.950 -0.002 0.000 2.382 219 F HA 0.408 4.935 4.527 -0.000 0.000 0.331 219 F C 0.779 176.579 175.800 -0.000 0.000 1.121 219 F CA -0.044 57.956 58.000 -0.001 0.000 1.183 219 F CB 0.250 39.250 39.000 -0.001 0.000 1.207 219 F HN 0.005 nan 8.300 nan 0.000 0.555 220 I N 3.413 124.095 120.570 0.187 0.000 2.436 220 I HA 0.243 4.413 4.170 -0.000 0.000 0.289 220 I C -1.049 175.126 176.117 0.095 0.000 1.010 220 I CA -0.482 60.884 61.300 0.110 0.000 1.098 220 I CB 1.642 39.688 38.000 0.075 0.000 1.266 220 I HN 0.333 nan 8.210 nan 0.000 0.434 221 L N 7.695 128.959 121.223 0.067 0.000 2.275 221 L HA 0.545 4.885 4.340 -0.000 0.000 0.288 221 L C -1.160 175.728 176.870 0.029 0.000 1.046 221 L CA -0.483 54.381 54.840 0.041 0.000 0.805 221 L CB 1.174 43.248 42.059 0.025 0.000 1.193 221 L HN 0.609 nan 8.230 nan 0.000 0.426 222 L N 6.059 127.294 121.223 0.021 0.000 2.356 222 L HA 0.496 4.836 4.340 -0.000 0.000 0.264 222 L C 0.019 176.889 176.870 0.000 0.000 1.029 222 L CA -0.241 54.604 54.840 0.008 0.000 0.897 222 L CB 1.394 43.456 42.059 0.006 0.000 1.256 222 L HN 0.674 nan 8.230 nan 0.000 0.444 223 A N 0.830 123.649 122.820 -0.001 0.000 2.305 223 A HA 0.376 4.696 4.320 -0.000 0.000 0.322 223 A C 0.325 177.905 177.584 -0.007 0.000 1.187 223 A CA -0.442 51.593 52.037 -0.002 0.000 0.825 223 A CB 1.202 20.203 19.000 0.002 0.000 1.164 223 A HN 0.689 nan 8.150 nan 0.000 0.498 224 D N 0.679 121.075 120.400 -0.007 0.000 2.305 224 D HA 0.020 4.660 4.640 -0.000 0.000 0.206 224 D C 0.813 177.111 176.300 -0.002 0.000 0.974 224 D CA 1.053 55.048 54.000 -0.009 0.000 0.871 224 D CB 0.155 40.949 40.800 -0.010 0.000 0.947 224 D HN 0.690 nan 8.370 nan 0.000 0.516 225 K N -0.589 119.812 120.400 0.002 0.000 2.210 225 K HA 0.439 4.759 4.320 -0.000 0.000 0.236 225 K C -0.416 176.190 176.600 0.010 0.000 1.016 225 K CA -0.946 55.345 56.287 0.006 0.000 0.913 225 K CB 1.113 33.617 32.500 0.006 0.000 1.141 225 K HN -0.349 nan 8.250 nan 0.000 0.462 226 K N 0.634 121.043 120.400 0.014 0.000 2.270 226 K HA 0.200 4.520 4.320 -0.000 0.000 0.276 226 K C -0.490 176.120 176.600 0.017 0.000 1.023 226 K CA -0.329 55.969 56.287 0.018 0.000 0.955 226 K CB 0.532 33.043 32.500 0.019 0.000 0.975 226 K HN 0.425 nan 8.250 nan 0.000 0.471 227 I N 3.415 123.998 120.570 0.021 0.000 2.388 227 I HA 0.061 4.231 4.170 -0.000 0.000 0.281 227 I C 0.856 176.987 176.117 0.023 0.000 1.046 227 I CA 0.039 61.352 61.300 0.021 0.000 1.187 227 I CB 0.204 38.218 38.000 0.023 0.000 1.351 227 I HN 0.724 nan 8.210 nan 0.000 0.472 228 S N 4.289 120.000 115.700 0.018 0.000 2.527 228 S HA 0.128 4.598 4.470 -0.000 0.000 0.225 228 S C 0.906 175.514 174.600 0.015 0.000 1.046 228 S CA -0.030 58.180 58.200 0.017 0.000 0.929 228 S CB 0.156 63.364 63.200 0.013 0.000 0.851 228 S HN 0.580 nan 8.310 nan 0.000 0.565 229 N N 1.184 119.891 118.700 0.011 0.000 2.513 229 N HA 0.303 5.043 4.740 -0.000 0.000 0.274 229 N C 0.156 175.672 175.510 0.011 0.000 1.189 229 N CA -0.070 52.985 53.050 0.009 0.000 0.975 229 N CB 1.000 39.490 38.487 0.006 0.000 1.157 229 N HN 0.322 nan 8.380 nan 0.000 0.465 230 I N 1.075 121.650 120.570 0.009 0.000 3.956 230 I HA 0.207 4.377 4.170 -0.000 0.000 0.333 230 I C 2.148 178.268 176.117 0.006 0.000 1.302 230 I CA -0.103 61.203 61.300 0.010 0.000 1.122 230 I CB -0.150 37.858 38.000 0.012 0.000 1.013 230 I HN 0.454 nan 8.210 nan 0.000 0.405 231 R N 2.045 122.547 120.500 0.004 0.000 2.090 231 R HA -0.114 4.226 4.340 -0.000 0.000 0.228 231 R C 1.375 177.675 176.300 -0.001 0.000 1.110 231 R CA 1.493 57.593 56.100 0.001 0.000 0.973 231 R CB 0.106 30.406 30.300 0.000 0.000 0.869 231 R HN 0.390 nan 8.270 nan 0.000 0.440 232 E N -0.164 120.036 120.200 -0.000 0.000 2.516 232 E HA -0.109 4.241 4.350 -0.000 0.000 0.199 232 E C 1.346 177.943 176.600 -0.005 0.000 1.069 232 E CA 0.536 56.934 56.400 -0.003 0.000 0.876 232 E CB 0.005 29.704 29.700 -0.001 0.000 0.843 232 E HN 0.206 nan 8.360 nan 0.000 0.530 233 M N -0.106 119.492 119.600 -0.003 0.000 2.357 233 M HA 0.106 4.586 4.480 -0.000 0.000 0.266 233 M C 1.520 177.812 176.300 -0.012 0.000 1.095 233 M CA 0.983 56.279 55.300 -0.005 0.000 1.156 233 M CB 0.171 32.773 32.600 0.003 0.000 1.365 233 M HN 0.114 nan 8.290 nan 0.000 0.447 234 L N 0.412 121.628 121.223 -0.010 0.000 2.079 234 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 234 L C -0.593 176.264 176.870 -0.022 0.000 1.081 234 L CA 1.172 56.004 54.840 -0.014 0.000 0.752 234 L CB -2.340 39.713 42.059 -0.010 0.000 0.896 234 L HN 0.243 nan 8.230 nan 0.000 0.433 235 P HA -0.150 nan 4.420 nan 0.000 0.215 235 P C 1.703 178.976 177.300 -0.045 0.000 1.153 235 P CA 1.937 65.019 63.100 -0.030 0.000 0.853 235 P CB -0.101 31.584 31.700 -0.024 0.000 0.788 236 V N -3.166 116.719 119.914 -0.048 0.000 2.575 236 V HA 0.011 4.131 4.120 -0.000 0.000 0.242 236 V C 2.399 178.443 176.094 -0.083 0.000 1.045 236 V CA 0.708 62.964 62.300 -0.073 0.000 1.065 236 V CB -1.810 29.974 31.823 -0.064 0.000 0.717 236 V HN -0.103 nan 8.190 nan 0.000 0.467 237 L N 0.874 122.065 121.223 -0.053 0.000 2.362 237 L HA 0.052 4.392 4.340 -0.000 0.000 0.219 237 L C 2.294 179.138 176.870 -0.044 0.000 1.134 237 L CA 1.957 56.772 54.840 -0.043 0.000 0.807 237 L CB -0.735 41.313 42.059 -0.018 0.000 0.927 237 L HN 0.553 nan 8.230 nan 0.000 0.447 238 E N -1.293 118.878 120.200 -0.047 0.000 2.364 238 E HA 0.035 4.385 4.350 -0.000 0.000 0.196 238 E C 1.938 178.502 176.600 -0.060 0.000 0.990 238 E CA 0.628 57.003 56.400 -0.042 0.000 0.886 238 E CB 0.322 30.004 29.700 -0.030 0.000 0.866 238 E HN 0.523 nan 8.360 nan 0.000 0.493 239 A N 0.910 123.677 122.820 -0.088 0.000 2.016 239 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 239 A C 2.152 179.628 177.584 -0.179 0.000 1.162 239 A CA 1.196 53.161 52.037 -0.120 0.000 0.662 239 A CB -0.271 18.649 19.000 -0.135 0.000 0.812 239 A HN 0.218 nan 8.150 nan 0.000 0.450 240 V N -3.856 115.936 119.914 -0.203 0.000 3.608 240 V HA 0.417 4.537 4.120 -0.000 0.000 0.269 240 V C 2.011 178.059 176.094 -0.075 0.000 1.245 240 V CA 1.019 63.178 62.300 -0.235 0.000 1.138 240 V CB -0.517 31.133 31.823 -0.288 0.000 0.841 240 V HN 0.391 nan 8.190 nan 0.000 0.451 241 A N 1.151 123.940 122.820 -0.053 0.000 1.897 241 A HA 0.012 4.332 4.320 -0.000 0.000 0.215 241 A C 2.175 179.754 177.584 -0.007 0.000 1.181 241 A CA 1.570 53.598 52.037 -0.016 0.000 0.620 241 A CB -0.355 18.636 19.000 -0.015 0.000 0.821 241 A HN 0.551 nan 8.150 nan 0.000 0.443 242 K N -0.318 120.069 120.400 -0.021 0.000 2.444 242 K HA 0.285 4.605 4.320 -0.000 0.000 0.193 242 K C 1.220 177.822 176.600 0.003 0.000 1.024 242 K CA 0.463 56.745 56.287 -0.009 0.000 1.077 242 K CB 0.137 32.628 32.500 -0.016 0.000 0.833 242 K HN 0.400 nan 8.250 nan 0.000 0.517 243 A N 0.275 123.098 122.820 0.005 0.000 2.308 243 A HA 0.287 4.607 4.320 -0.000 0.000 0.217 243 A C 1.512 179.166 177.584 0.116 0.000 1.216 243 A CA 0.599 52.674 52.037 0.064 0.000 0.864 243 A CB -0.118 18.911 19.000 0.047 0.000 0.902 243 A HN 0.352 nan 8.150 nan 0.000 0.499 244 G N -0.078 108.769 108.800 0.077 0.000 2.353 244 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.258 244 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.258 244 G C 0.459 175.417 174.900 0.097 0.000 1.013 244 G CA 0.963 46.107 45.100 0.073 0.000 0.622 244 G HN 0.606 nan 8.290 nan 0.000 0.535 245 K N 1.316 121.819 120.400 0.171 0.000 2.098 245 K HA 0.520 4.840 4.320 -0.000 0.000 0.257 245 K C -2.223 174.487 176.600 0.183 0.000 0.999 245 K CA -1.740 54.657 56.287 0.184 0.000 0.924 245 K CB 0.982 33.630 32.500 0.247 0.000 1.028 245 K HN 0.091 nan 8.250 nan 0.000 0.466 246 P HA 0.172 nan 4.420 nan 0.000 0.277 246 P C -1.105 176.292 177.300 0.162 0.000 1.276 246 P CA -0.578 62.587 63.100 0.108 0.000 0.788 246 P CB 0.525 32.260 31.700 0.059 0.000 1.114 247 L N 0.407 121.691 121.223 0.102 0.000 2.493 247 L HA 0.431 4.771 4.340 -0.000 0.000 0.265 247 L C -1.844 175.047 176.870 0.034 0.000 0.954 247 L CA -0.749 54.156 54.840 0.108 0.000 0.844 247 L CB 1.615 43.724 42.059 0.083 0.000 1.302 247 L HN 0.279 nan 8.230 nan 0.000 0.405 248 L N 5.767 127.015 121.223 0.042 0.000 2.309 248 L HA 0.561 4.901 4.340 -0.000 0.000 0.282 248 L C -0.773 176.104 176.870 0.011 0.000 1.036 248 L CA -0.533 54.309 54.840 0.003 0.000 0.806 248 L CB 1.782 43.854 42.059 0.022 0.000 1.220 248 L HN 0.619 nan 8.230 nan 0.000 0.429 249 I N 6.095 126.653 120.570 -0.021 0.000 2.355 249 I HA 0.379 4.549 4.170 -0.000 0.000 0.288 249 I C -0.342 175.786 176.117 0.018 0.000 0.999 249 I CA -0.391 60.907 61.300 -0.003 0.000 1.163 249 I CB 1.672 39.659 38.000 -0.021 0.000 1.316 249 I HN 0.409 nan 8.210 nan 0.000 0.454 250 I N 6.099 126.688 120.570 0.032 0.000 2.382 250 I HA 0.765 4.935 4.170 -0.000 0.000 0.286 250 I C 0.085 176.206 176.117 0.007 0.000 1.002 250 I CA -0.248 61.071 61.300 0.032 0.000 1.135 250 I CB 1.521 39.541 38.000 0.034 0.000 1.288 250 I HN 0.659 nan 8.210 nan 0.000 0.448 251 A N 4.651 127.476 122.820 0.008 0.000 2.564 251 A HA 0.474 4.794 4.320 -0.000 0.000 0.288 251 A C 0.661 178.249 177.584 0.006 0.000 1.164 251 A CA -0.530 51.509 52.037 0.004 0.000 0.712 251 A CB 1.380 20.387 19.000 0.012 0.000 1.303 251 A HN 0.691 nan 8.150 nan 0.000 0.418 252 E N -0.287 119.917 120.200 0.007 0.000 2.114 252 E HA -0.185 4.165 4.350 -0.000 0.000 0.199 252 E C -0.186 176.431 176.600 0.027 0.000 1.008 252 E CA 1.896 58.306 56.400 0.015 0.000 0.810 252 E CB 0.158 29.868 29.700 0.018 0.000 0.739 252 E HN 0.574 nan 8.360 nan 0.000 0.456 253 D N -2.343 118.075 120.400 0.030 0.000 2.738 253 D HA 0.193 4.833 4.640 -0.000 0.000 0.308 253 D C -1.733 174.593 176.300 0.043 0.000 1.311 253 D CA -0.455 53.570 54.000 0.041 0.000 0.799 253 D CB 1.994 42.817 40.800 0.039 0.000 1.332 253 D HN -0.223 nan 8.370 nan 0.000 0.441 254 V N 1.765 121.713 119.914 0.056 0.000 2.488 254 V HA 0.311 4.431 4.120 -0.000 0.000 0.293 254 V C -0.240 175.889 176.094 0.059 0.000 1.027 254 V CA -0.663 61.673 62.300 0.059 0.000 0.862 254 V CB 1.523 33.393 31.823 0.078 0.000 1.008 254 V HN 0.410 nan 8.190 nan 0.000 0.428 255 E N 2.474 122.699 120.200 0.042 0.000 2.349 255 E HA 0.474 4.824 4.350 -0.000 0.000 0.265 255 E C 1.484 178.101 176.600 0.028 0.000 1.064 255 E CA 0.798 57.217 56.400 0.032 0.000 0.886 255 E CB 1.476 31.190 29.700 0.023 0.000 1.036 255 E HN 0.689 nan 8.360 nan 0.000 0.413 256 G N 2.332 111.143 108.800 0.018 0.000 2.656 256 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.223 256 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.223 256 G C 1.306 176.207 174.900 0.001 0.000 1.130 256 G CA 1.545 46.647 45.100 0.004 0.000 0.758 256 G HN 0.707 nan 8.290 nan 0.000 0.608 257 E N 0.320 120.523 120.200 0.006 0.000 2.031 257 E HA -0.040 4.310 4.350 -0.000 0.000 0.193 257 E C 2.767 179.373 176.600 0.011 0.000 0.994 257 E CA 1.195 57.598 56.400 0.004 0.000 0.800 257 E CB -0.261 29.442 29.700 0.006 0.000 0.752 257 E HN 0.419 nan 8.360 nan 0.000 0.447 258 A N 0.645 123.477 122.820 0.021 0.000 2.021 258 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 258 A C 2.058 179.672 177.584 0.050 0.000 1.163 258 A CA 0.391 52.447 52.037 0.031 0.000 0.676 258 A CB -0.383 18.637 19.000 0.032 0.000 0.818 258 A HN 0.377 nan 8.150 nan 0.000 0.453 259 L N -0.246 121.010 121.223 0.055 0.000 1.988 259 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 259 L C 2.717 179.609 176.870 0.037 0.000 1.071 259 L CA 1.843 56.734 54.840 0.085 0.000 0.744 259 L CB -0.384 41.720 42.059 0.076 0.000 0.893 259 L HN 0.314 nan 8.230 nan 0.000 0.433 260 A N -0.849 121.962 122.820 -0.015 0.000 2.019 260 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 260 A C 2.280 179.838 177.584 -0.042 0.000 1.164 260 A CA 2.158 54.156 52.037 -0.066 0.000 0.644 260 A CB -1.220 17.737 19.000 -0.071 0.000 0.805 260 A HN 0.676 nan 8.150 nan 0.000 0.449 261 T N -1.598 112.954 114.554 -0.005 0.000 2.812 261 T HA 0.011 4.361 4.350 -0.000 0.000 0.264 261 T C 1.822 176.542 174.700 0.032 0.000 1.042 261 T CA 1.202 63.307 62.100 0.008 0.000 1.140 261 T CB -0.456 68.420 68.868 0.014 0.000 0.870 261 T HN 0.293 nan 8.240 nan 0.000 0.445 262 L N 0.637 121.902 121.223 0.070 0.000 2.093 262 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 262 L C 2.902 179.870 176.870 0.162 0.000 1.085 262 L CA 0.608 55.531 54.840 0.137 0.000 0.755 262 L CB -0.572 41.611 42.059 0.205 0.000 0.904 262 L HN 0.161 nan 8.230 nan 0.000 0.435 263 V N -0.315 119.629 119.914 0.051 0.000 2.255 263 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 263 V C 2.279 178.338 176.094 -0.058 0.000 1.051 263 V CA 1.806 64.027 62.300 -0.131 0.000 1.018 263 V CB -0.222 31.407 31.823 -0.323 0.000 0.641 263 V HN 0.251 nan 8.190 nan 0.000 0.445 264 V N 0.107 119.995 119.914 -0.043 0.000 3.041 264 V HA -0.099 4.021 4.120 -0.000 0.000 0.260 264 V C 2.039 178.145 176.094 0.021 0.000 1.105 264 V CA 1.463 63.757 62.300 -0.010 0.000 1.125 264 V CB -0.963 30.845 31.823 -0.024 0.000 0.730 264 V HN 0.598 nan 8.190 nan 0.000 0.479 265 N N 0.814 119.538 118.700 0.039 0.000 2.494 265 N HA -0.111 4.629 4.740 -0.000 0.000 0.182 265 N C 1.843 177.394 175.510 0.068 0.000 1.076 265 N CA 1.636 54.716 53.050 0.051 0.000 0.908 265 N CB 0.382 38.903 38.487 0.056 0.000 0.967 265 N HN 0.738 nan 8.380 nan 0.000 0.449 266 T N -1.498 113.112 114.554 0.092 0.000 3.082 266 T HA 0.091 4.441 4.350 -0.000 0.000 0.235 266 T C 1.151 175.892 174.700 0.069 0.000 0.991 266 T CA -0.194 61.968 62.100 0.104 0.000 1.220 266 T CB -0.297 68.684 68.868 0.189 0.000 0.909 266 T HN 0.098 nan 8.240 nan 0.000 0.424 267 M N 1.398 121.035 119.600 0.062 0.000 2.292 267 M HA 0.662 5.142 4.480 -0.000 0.000 0.342 267 M C 0.447 176.765 176.300 0.030 0.000 1.538 267 M CA -0.373 54.950 55.300 0.037 0.000 1.163 267 M CB 0.573 33.194 32.600 0.035 0.000 1.823 267 M HN 0.217 nan 8.290 nan 0.000 0.462 268 R N 0.820 121.331 120.500 0.018 0.000 3.584 268 R HA -0.087 4.253 4.340 -0.000 0.000 0.488 268 R C -0.235 176.075 176.300 0.016 0.000 0.869 268 R CA 1.167 57.275 56.100 0.013 0.000 1.325 268 R CB -2.145 28.163 30.300 0.013 0.000 2.015 268 R HN 1.145 nan 8.270 nan 0.000 0.489 269 G N -1.144 107.671 108.800 0.024 0.000 2.788 269 G HA2 0.626 4.586 3.960 -0.000 0.000 0.293 269 G HA3 0.626 4.586 3.960 -0.000 0.000 0.293 269 G C 1.198 176.115 174.900 0.027 0.000 1.305 269 G CA -0.349 44.767 45.100 0.026 0.000 1.005 269 G HN 0.001 nan 8.290 nan 0.000 0.496 270 I N -0.475 120.110 120.570 0.025 0.000 2.070 270 I HA -0.062 4.108 4.170 -0.000 0.000 0.224 270 I C 0.797 176.932 176.117 0.030 0.000 1.049 270 I CA 0.770 62.083 61.300 0.023 0.000 1.334 270 I CB -0.606 37.404 38.000 0.017 0.000 1.095 270 I HN 0.006 nan 8.210 nan 0.000 0.391 271 V N 1.986 121.919 119.914 0.032 0.000 2.455 271 V HA 0.087 4.207 4.120 -0.000 0.000 0.273 271 V C 0.119 176.246 176.094 0.054 0.000 1.045 271 V CA -0.473 61.850 62.300 0.039 0.000 0.976 271 V CB 0.427 32.268 31.823 0.030 0.000 0.993 271 V HN 0.224 nan 8.190 nan 0.000 0.475 272 K N 4.237 124.672 120.400 0.057 0.000 2.273 272 K HA 0.504 4.824 4.320 -0.000 0.000 0.287 272 K C -0.402 176.237 176.600 0.065 0.000 1.089 272 K CA -0.185 56.146 56.287 0.072 0.000 0.909 272 K CB 0.896 33.433 32.500 0.062 0.000 1.123 272 K HN 0.731 nan 8.250 nan 0.000 0.473 273 V N -0.261 119.697 119.914 0.073 0.000 3.102 273 V HA 0.976 5.096 4.120 -0.000 0.000 0.312 273 V C -0.965 175.040 176.094 -0.149 0.000 1.135 273 V CA -1.013 61.285 62.300 -0.004 0.000 1.022 273 V CB 1.877 33.698 31.823 -0.003 0.000 1.056 273 V HN 0.656 nan 8.190 nan 0.000 0.436 274 A N 0.974 123.576 122.820 -0.365 0.000 2.587 274 A HA 1.078 5.398 4.320 -0.000 0.000 0.293 274 A C -0.466 176.748 177.584 -0.617 0.000 1.087 274 A CA -0.358 51.114 52.037 -0.941 0.000 0.692 274 A CB 1.723 20.374 19.000 -0.581 0.000 1.291 274 A HN 2.595 nan 8.150 nan 0.000 0.407 275 A N 0.076 122.474 122.820 -0.703 0.000 2.486 275 A HA 0.820 5.140 4.320 -0.000 0.000 0.300 275 A C -0.721 176.837 177.584 -0.044 0.000 1.048 275 A CA -0.062 51.839 52.037 -0.227 0.000 0.696 275 A CB 1.389 20.318 19.000 -0.117 0.000 1.278 275 A HN 2.274 nan 8.150 nan 0.000 0.405 276 V N -0.875 119.064 119.914 0.040 0.000 2.925 276 V HA 0.602 4.722 4.120 -0.000 0.000 0.311 276 V C -0.388 175.773 176.094 0.112 0.000 1.104 276 V CA -1.262 61.107 62.300 0.115 0.000 0.954 276 V CB 1.550 33.477 31.823 0.173 0.000 1.022 276 V HN 0.862 nan 8.190 nan 0.000 0.427 277 K N 2.030 122.495 120.400 0.109 0.000 2.436 277 K HA 0.551 4.871 4.320 -0.000 0.000 0.275 277 K C 0.548 177.169 176.600 0.035 0.000 0.999 277 K CA 0.404 56.733 56.287 0.069 0.000 0.980 277 K CB 1.117 33.657 32.500 0.067 0.000 0.919 277 K HN 1.108 nan 8.250 nan 0.000 0.484 278 A N 5.047 127.846 122.820 -0.035 0.000 2.445 278 A HA 0.197 4.517 4.320 -0.000 0.000 0.242 278 A C -2.019 175.459 177.584 -0.177 0.000 1.075 278 A CA -1.086 50.854 52.037 -0.161 0.000 0.777 278 A CB -0.331 18.595 19.000 -0.123 0.000 1.013 278 A HN 0.462 nan 8.150 nan 0.000 0.493 279 P HA 0.383 nan 4.420 nan 0.000 0.272 279 P C 0.754 178.011 177.300 -0.071 0.000 1.223 279 P CA 1.369 64.338 63.100 -0.218 0.000 0.784 279 P CB 0.531 31.993 31.700 -0.398 0.000 0.923 280 G N 1.531 110.356 108.800 0.042 0.000 2.645 280 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.239 280 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.239 280 G C -0.885 174.162 174.900 0.245 0.000 1.331 280 G CA 0.103 45.284 45.100 0.135 0.000 0.890 280 G HN 0.777 nan 8.290 nan 0.000 0.572 281 F N -2.323 117.624 119.950 -0.005 0.000 2.654 281 F HA 0.746 5.273 4.527 -0.000 0.000 0.308 281 F C 0.980 176.783 175.800 0.004 0.000 1.108 281 F CA 0.405 58.404 58.000 -0.001 0.000 0.957 281 F CB 1.074 40.080 39.000 0.010 0.000 1.309 281 F HN 2.457 nan 8.300 nan 0.000 0.446 282 G N 1.906 110.688 108.800 -0.029 0.000 2.574 282 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.301 282 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.301 282 G C 0.446 175.261 174.900 -0.143 0.000 1.166 282 G CA 0.633 45.663 45.100 -0.116 0.000 0.971 282 G HN 0.848 nan 8.290 nan 0.000 0.542 283 D N 0.562 120.845 120.400 -0.194 0.000 2.277 283 D HA 0.051 4.691 4.640 -0.000 0.000 0.208 283 D C 2.508 178.726 176.300 -0.137 0.000 0.962 283 D CA 0.947 54.868 54.000 -0.133 0.000 0.865 283 D CB -0.021 40.713 40.800 -0.110 0.000 0.939 283 D HN 0.251 nan 8.370 nan 0.000 0.510 284 R N 1.449 121.830 120.500 -0.198 0.000 2.061 284 R HA -0.058 4.282 4.340 -0.000 0.000 0.230 284 R C 2.304 178.536 176.300 -0.115 0.000 1.140 284 R CA 1.279 57.285 56.100 -0.156 0.000 0.940 284 R CB -0.234 29.955 30.300 -0.185 0.000 0.839 284 R HN 0.193 nan 8.270 nan 0.000 0.429 285 R N 0.575 121.011 120.500 -0.107 0.000 2.193 285 R HA -0.053 4.287 4.340 -0.000 0.000 0.229 285 R C 1.651 177.905 176.300 -0.076 0.000 1.110 285 R CA 1.132 57.181 56.100 -0.085 0.000 0.988 285 R CB -0.333 29.934 30.300 -0.055 0.000 0.871 285 R HN 0.059 nan 8.270 nan 0.000 0.458 286 K N 1.281 121.640 120.400 -0.069 0.000 1.991 286 K HA -0.091 4.229 4.320 -0.000 0.000 0.212 286 K C 2.250 178.817 176.600 -0.055 0.000 1.049 286 K CA 1.816 58.071 56.287 -0.055 0.000 0.932 286 K CB -0.333 32.137 32.500 -0.050 0.000 0.717 286 K HN 0.335 nan 8.250 nan 0.000 0.441 287 A N 0.959 123.743 122.820 -0.060 0.000 1.975 287 A HA 0.016 4.336 4.320 -0.000 0.000 0.215 287 A C 2.127 179.675 177.584 -0.060 0.000 1.170 287 A CA 0.656 52.661 52.037 -0.053 0.000 0.656 287 A CB -0.225 18.745 19.000 -0.051 0.000 0.821 287 A HN 0.148 nan 8.150 nan 0.000 0.449 288 M N -0.974 118.580 119.600 -0.076 0.000 2.229 288 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 288 M C 2.069 178.304 176.300 -0.109 0.000 1.063 288 M CA 1.207 56.453 55.300 -0.091 0.000 1.114 288 M CB -0.357 32.177 32.600 -0.109 0.000 1.387 288 M HN 0.496 nan 8.290 nan 0.000 0.420 289 L N 0.230 121.390 121.223 -0.105 0.000 2.131 289 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 289 L C 2.307 179.141 176.870 -0.060 0.000 1.087 289 L CA 1.678 56.457 54.840 -0.101 0.000 0.767 289 L CB -0.605 41.401 42.059 -0.087 0.000 0.917 289 L HN 0.201 nan 8.230 nan 0.000 0.441 290 Q N -0.238 119.534 119.800 -0.047 0.000 2.170 290 Q HA -0.213 4.126 4.340 -0.000 0.000 0.203 290 Q C 1.721 177.707 176.000 -0.024 0.000 0.976 290 Q CA 1.904 57.689 55.803 -0.030 0.000 0.858 290 Q CB -0.225 28.496 28.738 -0.028 0.000 0.907 290 Q HN 0.516 nan 8.270 nan 0.000 0.433 291 D N -0.244 120.138 120.400 -0.030 0.000 2.116 291 D HA -0.180 4.460 4.640 -0.000 0.000 0.193 291 D C 1.748 178.045 176.300 -0.004 0.000 0.998 291 D CA 1.487 55.476 54.000 -0.018 0.000 0.836 291 D CB -0.208 40.578 40.800 -0.022 0.000 0.951 291 D HN 0.363 nan 8.370 nan 0.000 0.449 292 I N 0.952 121.516 120.570 -0.008 0.000 2.226 292 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 292 I C 2.454 178.582 176.117 0.018 0.000 1.100 292 I CA 1.017 62.329 61.300 0.019 0.000 1.374 292 I CB -0.225 37.786 38.000 0.017 0.000 1.057 292 I HN -0.073 nan 8.210 nan 0.000 0.413 293 A N 0.549 123.371 122.820 0.004 0.000 1.892 293 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 293 A C 2.411 180.000 177.584 0.010 0.000 1.188 293 A CA 2.771 54.813 52.037 0.008 0.000 0.631 293 A CB -1.318 17.682 19.000 0.000 0.000 0.822 293 A HN 0.424 nan 8.150 nan 0.000 0.447 294 T N 0.021 114.578 114.554 0.004 0.000 2.684 294 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 294 T C 1.835 176.539 174.700 0.007 0.000 1.036 294 T CA 1.568 63.670 62.100 0.004 0.000 1.148 294 T CB -0.439 68.429 68.868 -0.000 0.000 0.863 294 T HN 0.320 nan 8.240 nan 0.000 0.436 295 L N 1.821 123.051 121.223 0.011 0.000 2.083 295 L HA -0.057 4.283 4.340 -0.000 0.000 0.209 295 L C 2.492 179.369 176.870 0.012 0.000 1.083 295 L CA 2.145 56.993 54.840 0.014 0.000 0.752 295 L CB -1.021 41.052 42.059 0.023 0.000 0.899 295 L HN 0.456 nan 8.230 nan 0.000 0.433 296 T N -3.907 110.657 114.554 0.017 0.000 3.081 296 T HA 0.306 4.655 4.350 -0.000 0.000 0.250 296 T C 1.287 175.995 174.700 0.014 0.000 1.100 296 T CA 0.237 62.346 62.100 0.015 0.000 1.038 296 T CB -0.378 68.507 68.868 0.027 0.000 0.962 296 T HN 0.642 nan 8.240 nan 0.000 0.516 297 G N 0.591 109.400 108.800 0.015 0.000 2.298 297 G HA2 0.130 4.090 3.960 -0.000 0.000 0.287 297 G HA3 0.130 4.090 3.960 -0.000 0.000 0.287 297 G C 0.236 175.152 174.900 0.026 0.000 1.075 297 G CA -0.182 44.928 45.100 0.016 0.000 0.960 297 G HN 1.037 nan 8.290 nan 0.000 0.502 298 G N -1.486 107.330 108.800 0.027 0.000 3.013 298 G HA2 0.896 4.856 3.960 -0.000 0.000 0.278 298 G HA3 0.896 4.856 3.960 -0.000 0.000 0.278 298 G C -0.404 174.509 174.900 0.022 0.000 1.353 298 G CA 0.188 45.309 45.100 0.034 0.000 1.043 298 G HN 0.753 nan 8.290 nan 0.000 0.523 299 T N -0.047 114.519 114.554 0.021 0.000 2.856 299 T HA 0.521 4.871 4.350 -0.000 0.000 0.283 299 T C 0.048 174.752 174.700 0.008 0.000 1.008 299 T CA -0.445 61.661 62.100 0.011 0.000 0.997 299 T CB 1.622 70.496 68.868 0.010 0.000 0.992 299 T HN 0.914 nan 8.240 nan 0.000 0.454 300 V N 0.715 120.629 119.914 0.001 0.000 2.432 300 V HA 0.515 4.635 4.120 -0.000 0.000 0.271 300 V C -0.139 175.953 176.094 -0.004 0.000 1.046 300 V CA -0.779 61.519 62.300 -0.004 0.000 0.945 300 V CB -0.179 31.638 31.823 -0.011 0.000 0.992 300 V HN 0.748 nan 8.190 nan 0.000 0.471 301 I N 5.101 125.669 120.570 -0.003 0.000 2.260 301 I HA 0.234 4.404 4.170 -0.000 0.000 0.297 301 I C 0.844 176.958 176.117 -0.005 0.000 1.143 301 I CA 1.055 62.353 61.300 -0.003 0.000 1.271 301 I CB 0.081 38.080 38.000 -0.002 0.000 1.461 301 I HN 0.738 nan 8.210 nan 0.000 0.530 302 S N 4.632 120.329 115.700 -0.006 0.000 2.616 302 S HA 0.306 4.776 4.470 -0.000 0.000 0.277 302 S C 1.052 175.650 174.600 -0.005 0.000 1.234 302 S CA -0.799 57.397 58.200 -0.007 0.000 1.028 302 S CB 1.673 64.868 63.200 -0.008 0.000 0.988 302 S HN 0.482 nan 8.310 nan 0.000 0.522 303 E N 1.513 121.711 120.200 -0.004 0.000 2.190 303 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 303 E C 1.080 177.678 176.600 -0.003 0.000 0.978 303 E CA 0.740 57.138 56.400 -0.003 0.000 0.839 303 E CB -0.102 29.597 29.700 -0.001 0.000 0.787 303 E HN 0.618 nan 8.360 nan 0.000 0.473 304 E N 0.284 120.481 120.200 -0.004 0.000 2.516 304 E HA 0.004 4.354 4.350 -0.000 0.000 0.199 304 E C 1.511 178.109 176.600 -0.004 0.000 1.069 304 E CA 0.348 56.745 56.400 -0.004 0.000 0.876 304 E CB 0.001 29.697 29.700 -0.006 0.000 0.843 304 E HN 0.291 nan 8.360 nan 0.000 0.530 305 I N -1.947 118.621 120.570 -0.004 0.000 4.035 305 I HA 0.263 4.433 4.170 -0.000 0.000 0.321 305 I C 1.561 177.676 176.117 -0.003 0.000 1.289 305 I CA 0.397 61.694 61.300 -0.004 0.000 1.236 305 I CB 0.575 38.572 38.000 -0.004 0.000 1.076 305 I HN 0.229 nan 8.210 nan 0.000 0.418 306 G N 1.404 110.202 108.800 -0.003 0.000 2.254 306 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.225 306 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.225 306 G C 0.459 175.357 174.900 -0.003 0.000 1.003 306 G CA -0.325 44.773 45.100 -0.002 0.000 0.622 306 G HN 0.214 nan 8.290 nan 0.000 0.507 307 M N 1.463 121.061 119.600 -0.003 0.000 2.255 307 M HA 0.289 4.769 4.480 -0.000 0.000 0.356 307 M C 0.529 176.827 176.300 -0.003 0.000 1.338 307 M CA 1.114 56.412 55.300 -0.003 0.000 0.962 307 M CB 0.296 32.894 32.600 -0.003 0.000 1.877 307 M HN 0.351 nan 8.290 nan 0.000 0.463 308 E N 2.027 122.225 120.200 -0.003 0.000 2.281 308 E HA 0.333 4.683 4.350 -0.000 0.000 0.262 308 E C 0.296 176.894 176.600 -0.005 0.000 0.933 308 E CA -0.658 55.740 56.400 -0.003 0.000 0.809 308 E CB 1.562 31.261 29.700 -0.003 0.000 1.242 308 E HN 0.702 nan 8.360 nan 0.000 0.418 309 L N 1.338 122.558 121.223 -0.004 0.000 2.131 309 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 309 L C 1.994 178.859 176.870 -0.009 0.000 1.092 309 L CA 1.179 56.015 54.840 -0.006 0.000 0.759 309 L CB -0.281 41.776 42.059 -0.004 0.000 0.903 309 L HN 0.596 nan 8.230 nan 0.000 0.435 310 E N 0.450 120.645 120.200 -0.008 0.000 2.153 310 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 310 E C 0.763 177.356 176.600 -0.012 0.000 0.988 310 E CA 0.944 57.338 56.400 -0.010 0.000 0.811 310 E CB -0.011 29.684 29.700 -0.008 0.000 0.746 310 E HN 0.305 nan 8.360 nan 0.000 0.466 311 K N 0.704 121.098 120.400 -0.010 0.000 2.997 311 K HA 0.323 4.643 4.320 -0.000 0.000 0.249 311 K C -0.969 175.624 176.600 -0.011 0.000 1.284 311 K CA -0.204 56.077 56.287 -0.010 0.000 1.245 311 K CB 1.316 33.812 32.500 -0.007 0.000 1.670 311 K HN 0.020 nan 8.250 nan 0.000 0.385 312 A N 0.202 123.013 122.820 -0.015 0.000 2.486 312 A HA 0.683 5.003 4.320 -0.000 0.000 0.300 312 A C -0.412 177.155 177.584 -0.028 0.000 1.048 312 A CA -0.691 51.336 52.037 -0.017 0.000 0.696 312 A CB 1.230 20.221 19.000 -0.015 0.000 1.278 312 A HN 0.248 nan 8.150 nan 0.000 0.405 313 T N 1.267 115.804 114.554 -0.028 0.000 2.841 313 T HA 0.470 4.820 4.350 -0.000 0.000 0.276 313 T C 1.304 175.969 174.700 -0.058 0.000 1.003 313 T CA -0.553 61.521 62.100 -0.043 0.000 0.995 313 T CB 0.573 69.423 68.868 -0.029 0.000 1.260 313 T HN 0.366 nan 8.240 nan 0.000 0.581 314 L N 0.910 122.078 121.223 -0.090 0.000 2.042 314 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 314 L C 2.821 179.695 176.870 0.006 0.000 1.076 314 L CA 1.665 56.431 54.840 -0.122 0.000 0.749 314 L CB -1.058 40.900 42.059 -0.168 0.000 0.893 314 L HN 0.848 nan 8.230 nan 0.000 0.432 315 E N -0.173 120.036 120.200 0.016 0.000 2.171 315 E HA -0.284 4.066 4.350 -0.000 0.000 0.197 315 E C 1.070 177.695 176.600 0.041 0.000 0.997 315 E CA 1.721 58.144 56.400 0.040 0.000 0.810 315 E CB -0.522 29.192 29.700 0.023 0.000 0.738 315 E HN 0.562 nan 8.360 nan 0.000 0.467 316 D N 0.392 120.807 120.400 0.025 0.000 2.317 316 D HA 0.024 4.664 4.640 -0.000 0.000 0.211 316 D C 0.426 176.751 176.300 0.042 0.000 0.966 316 D CA 0.357 54.371 54.000 0.024 0.000 0.876 316 D CB 0.089 40.894 40.800 0.009 0.000 0.927 316 D HN 0.132 nan 8.370 nan 0.000 0.519 317 L N 0.451 121.715 121.223 0.068 0.000 2.439 317 L HA 0.388 4.728 4.340 -0.000 0.000 0.261 317 L C 1.299 178.248 176.870 0.132 0.000 1.153 317 L CA -0.227 54.679 54.840 0.109 0.000 0.808 317 L CB 1.056 43.209 42.059 0.157 0.000 1.126 317 L HN -0.163 nan 8.230 nan 0.000 0.460 318 G N 0.478 109.345 108.800 0.113 0.000 2.511 318 G HA2 0.619 4.579 3.960 -0.000 0.000 0.316 318 G HA3 0.619 4.579 3.960 -0.000 0.000 0.316 318 G C -1.084 173.851 174.900 0.058 0.000 1.210 318 G CA -0.286 44.858 45.100 0.074 0.000 0.969 318 G HN 0.507 nan 8.290 nan 0.000 0.492 319 Q N -1.519 118.277 119.800 -0.008 0.000 2.377 319 Q HA 0.588 4.928 4.340 -0.000 0.000 0.279 319 Q C -1.006 174.950 176.000 -0.074 0.000 1.049 319 Q CA -0.741 55.005 55.803 -0.094 0.000 0.825 319 Q CB 2.620 31.256 28.738 -0.170 0.000 1.401 319 Q HN 0.866 nan 8.270 nan 0.000 0.404 320 A N 1.146 123.910 122.820 -0.093 0.000 2.515 320 A HA 0.477 4.797 4.320 -0.000 0.000 0.296 320 A C -0.431 177.102 177.584 -0.085 0.000 1.094 320 A CA -0.576 51.420 52.037 -0.067 0.000 0.718 320 A CB 1.589 20.566 19.000 -0.039 0.000 1.307 320 A HN 0.757 nan 8.150 nan 0.000 0.408 321 K N -0.557 119.804 120.400 -0.065 0.000 2.296 321 K HA 0.110 4.430 4.320 -0.000 0.000 0.200 321 K C 0.553 177.121 176.600 -0.053 0.000 1.048 321 K CA 1.033 57.282 56.287 -0.063 0.000 0.966 321 K CB 0.121 32.592 32.500 -0.049 0.000 0.754 321 K HN 0.574 nan 8.250 nan 0.000 0.466 322 R N -1.151 119.322 120.500 -0.046 0.000 2.712 322 R HA 0.374 4.714 4.340 -0.000 0.000 0.272 322 R C -2.130 174.148 176.300 -0.036 0.000 1.032 322 R CA -0.654 55.423 56.100 -0.038 0.000 0.874 322 R CB 2.442 32.722 30.300 -0.033 0.000 1.256 322 R HN -0.102 nan 8.270 nan 0.000 0.468 323 V N 1.824 121.719 119.914 -0.033 0.000 2.882 323 V HA 0.580 4.700 4.120 -0.000 0.000 0.295 323 V C -1.762 174.313 176.094 -0.033 0.000 1.273 323 V CA -0.515 61.762 62.300 -0.038 0.000 0.949 323 V CB 2.060 33.864 31.823 -0.032 0.000 1.071 323 V HN 0.577 nan 8.190 nan 0.000 0.432 324 V N 5.122 125.009 119.914 -0.045 0.000 2.487 324 V HA 0.826 4.946 4.120 -0.000 0.000 0.298 324 V C -0.714 175.358 176.094 -0.037 0.000 1.028 324 V CA -0.484 61.799 62.300 -0.028 0.000 0.860 324 V CB 1.442 33.252 31.823 -0.022 0.000 0.991 324 V HN 0.756 nan 8.190 nan 0.000 0.427 325 I N 6.548 127.127 120.570 0.015 0.000 2.474 325 I HA 0.599 4.768 4.170 -0.000 0.000 0.294 325 I C 0.217 176.419 176.117 0.143 0.000 1.005 325 I CA -0.151 61.176 61.300 0.046 0.000 1.113 325 I CB 1.882 39.939 38.000 0.096 0.000 1.289 325 I HN 0.982 nan 8.210 nan 0.000 0.436 326 N N 4.655 123.406 118.700 0.086 0.000 3.283 326 N HA 0.306 5.046 4.740 -0.000 0.000 0.338 326 N C 0.612 176.000 175.510 -0.204 0.000 1.517 326 N CA -0.778 52.351 53.050 0.133 0.000 0.733 326 N CB 0.849 39.385 38.487 0.081 0.000 1.797 326 N HN 0.408 nan 8.380 nan 0.000 0.637 327 K N -0.362 119.905 120.400 -0.222 0.000 2.127 327 K HA -0.238 4.082 4.320 -0.000 0.000 0.212 327 K C -0.302 176.036 176.600 -0.437 0.000 1.050 327 K CA 2.974 58.972 56.287 -0.481 0.000 0.929 327 K CB -0.235 32.190 32.500 -0.126 0.000 0.715 327 K HN 0.739 nan 8.250 nan 0.000 0.457 328 D N -3.015 117.250 120.400 -0.225 0.000 2.523 328 D HA 0.083 4.723 4.640 -0.000 0.000 0.269 328 D C -0.578 175.671 176.300 -0.085 0.000 1.374 328 D CA -0.365 53.555 54.000 -0.134 0.000 0.820 328 D CB 0.905 41.662 40.800 -0.073 0.000 1.211 328 D HN -0.161 nan 8.370 nan 0.000 0.502 329 T N 0.145 114.636 114.554 -0.106 0.000 2.881 329 T HA 0.605 4.955 4.350 -0.000 0.000 0.290 329 T C -1.052 173.538 174.700 -0.184 0.000 1.000 329 T CA -0.291 61.737 62.100 -0.120 0.000 0.978 329 T CB 1.932 70.746 68.868 -0.089 0.000 0.997 329 T HN -0.118 nan 8.240 nan 0.000 0.443 330 T N 2.457 116.792 114.554 -0.365 0.000 2.807 330 T HA 0.681 5.031 4.350 -0.000 0.000 0.279 330 T C -0.463 173.876 174.700 -0.602 0.000 0.993 330 T CA -0.594 61.203 62.100 -0.505 0.000 0.970 330 T CB 1.524 69.950 68.868 -0.737 0.000 0.950 330 T HN 0.645 nan 8.240 nan 0.000 0.441 331 T N 2.907 117.251 114.554 -0.349 0.000 2.937 331 T HA 0.650 5.000 4.350 -0.000 0.000 0.297 331 T C -0.523 174.086 174.700 -0.152 0.000 0.991 331 T CA -0.927 61.023 62.100 -0.249 0.000 0.990 331 T CB 0.259 69.031 68.868 -0.159 0.000 0.991 331 T HN 0.652 nan 8.240 nan 0.000 0.440 332 I N 2.611 123.119 120.570 -0.104 0.000 2.498 332 I HA 0.789 4.959 4.170 -0.000 0.000 0.301 332 I C -1.213 174.884 176.117 -0.033 0.000 0.984 332 I CA -1.374 59.898 61.300 -0.046 0.000 1.204 332 I CB 1.520 39.521 38.000 0.002 0.000 1.362 332 I HN 0.604 nan 8.210 nan 0.000 0.471 333 I N 4.346 124.898 120.570 -0.030 0.000 2.466 333 I HA 0.325 4.495 4.170 -0.000 0.000 0.289 333 I C -0.851 175.250 176.117 -0.027 0.000 1.026 333 I CA -0.401 60.882 61.300 -0.029 0.000 1.078 333 I CB 1.563 39.543 38.000 -0.033 0.000 1.249 333 I HN 0.734 nan 8.210 nan 0.000 0.429 334 D N 4.938 125.325 120.400 -0.022 0.000 3.437 334 D HA -0.112 4.528 4.640 -0.000 0.000 0.243 334 D C -0.014 176.272 176.300 -0.024 0.000 1.104 334 D CA 0.793 54.779 54.000 -0.023 0.000 1.009 334 D CB -0.128 40.656 40.800 -0.028 0.000 0.937 334 D HN 0.824 nan 8.370 nan 0.000 0.417 335 G N 0.863 109.654 108.800 -0.015 0.000 2.432 335 G HA2 0.396 4.356 3.960 -0.000 0.000 0.257 335 G HA3 0.396 4.356 3.960 -0.000 0.000 0.257 335 G C 1.381 176.271 174.900 -0.017 0.000 1.238 335 G CA -0.345 44.747 45.100 -0.013 0.000 0.838 335 G HN 0.301 nan 8.290 nan 0.000 0.547 336 V N 2.480 122.381 119.914 -0.022 0.000 3.305 336 V HA 0.036 4.156 4.120 -0.000 0.000 0.269 336 V C 2.074 178.163 176.094 -0.009 0.000 1.157 336 V CA 0.756 63.044 62.300 -0.021 0.000 1.157 336 V CB -1.041 30.764 31.823 -0.030 0.000 0.772 336 V HN 0.797 nan 8.190 nan 0.000 0.498 337 G N 0.906 109.704 108.800 -0.004 0.000 2.321 337 G HA2 0.092 4.052 3.960 -0.000 0.000 0.237 337 G HA3 0.092 4.052 3.960 -0.000 0.000 0.237 337 G C 0.059 174.959 174.900 -0.001 0.000 1.282 337 G CA -0.257 44.844 45.100 0.001 0.000 0.886 337 G HN 0.264 nan 8.290 nan 0.000 0.528 338 E N 1.375 121.575 120.200 0.000 0.000 2.437 338 E HA -0.019 4.331 4.350 -0.000 0.000 0.263 338 E C 1.283 177.882 176.600 -0.002 0.000 1.030 338 E CA -0.229 56.170 56.400 -0.001 0.000 0.934 338 E CB 0.755 30.455 29.700 0.000 0.000 0.943 338 E HN 0.523 nan 8.360 nan 0.000 0.444 339 E N 1.772 121.970 120.200 -0.002 0.000 2.150 339 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 339 E C 1.641 178.240 176.600 -0.002 0.000 0.985 339 E CA 1.220 57.618 56.400 -0.003 0.000 0.814 339 E CB -0.096 29.602 29.700 -0.003 0.000 0.752 339 E HN 0.551 nan 8.360 nan 0.000 0.466 340 A N 1.243 124.061 122.820 -0.002 0.000 1.873 340 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 340 A C 2.409 179.992 177.584 -0.002 0.000 1.186 340 A CA 1.999 54.035 52.037 -0.002 0.000 0.616 340 A CB -0.601 18.398 19.000 -0.001 0.000 0.823 340 A HN 0.265 nan 8.150 nan 0.000 0.442 341 A N -0.144 122.675 122.820 -0.001 0.000 1.902 341 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 341 A C 2.111 179.694 177.584 -0.002 0.000 1.181 341 A CA 1.569 53.605 52.037 -0.001 0.000 0.623 341 A CB -0.597 18.403 19.000 0.001 0.000 0.818 341 A HN 0.496 nan 8.150 nan 0.000 0.443 342 I N -0.912 119.657 120.570 -0.001 0.000 2.286 342 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 342 I C 2.577 178.693 176.117 -0.003 0.000 1.104 342 I CA 1.001 62.300 61.300 -0.001 0.000 1.397 342 I CB -0.291 37.709 38.000 -0.000 0.000 1.072 342 I HN 0.204 nan 8.210 nan 0.000 0.417 343 Q N 0.818 120.616 119.800 -0.003 0.000 2.170 343 Q HA -0.092 4.248 4.340 -0.000 0.000 0.203 343 Q C 2.314 178.312 176.000 -0.004 0.000 0.976 343 Q CA 1.630 57.431 55.803 -0.004 0.000 0.858 343 Q CB -1.007 27.730 28.738 -0.003 0.000 0.907 343 Q HN 0.569 nan 8.270 nan 0.000 0.433 344 G N 0.078 108.876 108.800 -0.004 0.000 2.418 344 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 344 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 344 G C 1.673 176.570 174.900 -0.006 0.000 1.158 344 G CA 0.830 45.927 45.100 -0.005 0.000 0.771 344 G HN 0.278 nan 8.290 nan 0.000 0.545 345 R N -0.222 120.274 120.500 -0.006 0.000 2.148 345 R HA 0.115 4.455 4.340 -0.000 0.000 0.223 345 R C 2.553 178.847 176.300 -0.009 0.000 1.088 345 R CA 0.688 56.783 56.100 -0.008 0.000 0.985 345 R CB -0.439 29.857 30.300 -0.007 0.000 0.880 345 R HN 0.238 nan 8.270 nan 0.000 0.451 346 V N 0.281 120.191 119.914 -0.007 0.000 2.270 346 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 346 V C 2.227 178.316 176.094 -0.009 0.000 1.043 346 V CA 1.974 64.269 62.300 -0.008 0.000 1.014 346 V CB -0.738 31.081 31.823 -0.006 0.000 0.645 346 V HN 0.506 nan 8.190 nan 0.000 0.447 347 A N -1.225 121.590 122.820 -0.008 0.000 2.019 347 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 347 A C 2.157 179.735 177.584 -0.009 0.000 1.164 347 A CA 1.877 53.910 52.037 -0.007 0.000 0.644 347 A CB -0.450 18.546 19.000 -0.006 0.000 0.805 347 A HN 0.642 nan 8.150 nan 0.000 0.449 348 Q N -0.698 119.097 119.800 -0.009 0.000 2.079 348 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 348 Q C 1.946 177.938 176.000 -0.013 0.000 0.974 348 Q CA 1.620 57.416 55.803 -0.011 0.000 0.840 348 Q CB -0.221 28.510 28.738 -0.011 0.000 0.898 348 Q HN 0.789 nan 8.270 nan 0.000 0.430 349 I N -0.193 120.368 120.570 -0.015 0.000 2.480 349 I HA -0.179 3.991 4.170 -0.000 0.000 0.251 349 I C 2.276 178.383 176.117 -0.017 0.000 1.124 349 I CA 0.406 61.695 61.300 -0.018 0.000 1.444 349 I CB -0.214 37.773 38.000 -0.021 0.000 1.098 349 I HN 0.066 nan 8.210 nan 0.000 0.428 350 R N 0.841 121.332 120.500 -0.014 0.000 2.103 350 R HA -0.254 4.086 4.340 -0.000 0.000 0.242 350 R C 2.179 178.473 176.300 -0.011 0.000 1.142 350 R CA 1.682 57.775 56.100 -0.012 0.000 0.960 350 R CB -0.725 29.570 30.300 -0.010 0.000 0.858 350 R HN 0.535 nan 8.270 nan 0.000 0.439 351 Q N 0.910 120.703 119.800 -0.010 0.000 1.975 351 Q HA -0.226 4.114 4.340 -0.000 0.000 0.205 351 Q C 2.026 178.020 176.000 -0.011 0.000 0.990 351 Q CA 1.795 57.592 55.803 -0.009 0.000 0.845 351 Q CB -0.057 28.676 28.738 -0.009 0.000 0.913 351 Q HN 0.406 nan 8.270 nan 0.000 0.420 352 Q N -0.121 119.672 119.800 -0.013 0.000 2.376 352 Q HA -0.181 4.159 4.340 -0.000 0.000 0.211 352 Q C 1.908 177.898 176.000 -0.015 0.000 0.986 352 Q CA 1.142 56.937 55.803 -0.015 0.000 0.886 352 Q CB -0.165 28.561 28.738 -0.019 0.000 0.927 352 Q HN 0.508 nan 8.270 nan 0.000 0.457 353 I N 1.057 121.617 120.570 -0.016 0.000 2.676 353 I HA -0.230 3.940 4.170 -0.000 0.000 0.259 353 I C 2.477 178.588 176.117 -0.010 0.000 1.194 353 I CA 0.883 62.173 61.300 -0.016 0.000 1.473 353 I CB -0.419 37.571 38.000 -0.017 0.000 1.096 353 I HN 0.297 nan 8.210 nan 0.000 0.443 354 E N 1.514 121.709 120.200 -0.008 0.000 2.267 354 E HA -0.278 4.072 4.350 -0.000 0.000 0.197 354 E C 1.516 178.114 176.600 -0.003 0.000 0.998 354 E CA 1.253 57.650 56.400 -0.005 0.000 0.830 354 E CB -0.054 29.643 29.700 -0.005 0.000 0.751 354 E HN 0.471 nan 8.360 nan 0.000 0.491 355 E N 1.417 121.615 120.200 -0.004 0.000 2.012 355 E HA -0.078 4.272 4.350 -0.000 0.000 0.197 355 E C 1.123 177.725 176.600 0.004 0.000 1.007 355 E CA 2.082 58.482 56.400 -0.000 0.000 0.816 355 E CB -0.469 29.230 29.700 -0.001 0.000 0.762 355 E HN 0.466 nan 8.360 nan 0.000 0.451 356 A N -0.577 122.245 122.820 0.004 0.000 2.783 356 A HA -0.283 4.037 4.320 -0.000 0.000 0.292 356 A C 1.394 178.988 177.584 0.016 0.000 1.495 356 A CA 1.237 53.280 52.037 0.010 0.000 0.787 356 A CB -2.452 16.553 19.000 0.007 0.000 1.017 356 A HN 0.314 nan 8.150 nan 0.000 0.516 357 T N -1.008 113.557 114.554 0.019 0.000 2.867 357 T HA 0.216 4.566 4.350 -0.000 0.000 0.268 357 T C 0.953 175.674 174.700 0.035 0.000 1.057 357 T CA 1.626 63.740 62.100 0.023 0.000 1.136 357 T CB -0.024 68.858 68.868 0.023 0.000 0.874 357 T HN 1.577 nan 8.240 nan 0.000 0.466 358 S N -0.586 115.144 115.700 0.051 0.000 2.541 358 S HA 0.320 4.790 4.470 -0.000 0.000 0.271 358 S C -0.686 173.961 174.600 0.079 0.000 1.133 358 S CA -0.726 57.518 58.200 0.073 0.000 0.876 358 S CB 1.769 65.034 63.200 0.109 0.000 1.105 358 S HN -0.004 nan 8.310 nan 0.000 0.470 359 D N 1.159 121.606 120.400 0.079 0.000 2.309 359 D HA 0.016 4.656 4.640 -0.000 0.000 0.212 359 D C 1.108 177.463 176.300 0.091 0.000 0.968 359 D CA 1.074 55.114 54.000 0.067 0.000 0.882 359 D CB -0.071 40.764 40.800 0.058 0.000 0.918 359 D HN 0.595 nan 8.370 nan 0.000 0.503 360 Y N 1.206 121.509 120.300 0.004 0.000 2.153 360 Y HA -0.126 4.424 4.550 -0.000 0.000 0.289 360 Y C 1.413 177.312 175.900 -0.001 0.000 1.127 360 Y CA 1.625 59.728 58.100 0.005 0.000 1.131 360 Y CB -0.196 38.268 38.460 0.007 0.000 0.995 360 Y HN -0.112 nan 8.280 nan 0.000 0.505 361 D N -0.545 119.877 120.400 0.037 0.000 2.144 361 D HA -0.135 4.505 4.640 -0.000 0.000 0.200 361 D C 2.144 178.391 176.300 -0.089 0.000 0.978 361 D CA 1.154 55.122 54.000 -0.053 0.000 0.833 361 D CB -0.174 40.650 40.800 0.039 0.000 0.961 361 D HN 0.192 nan 8.370 nan 0.000 0.470 362 R N 0.668 121.140 120.500 -0.047 0.000 2.148 362 R HA -0.111 4.229 4.340 -0.000 0.000 0.227 362 R C 1.946 178.206 176.300 -0.067 0.000 1.103 362 R CA 0.956 57.030 56.100 -0.043 0.000 0.983 362 R CB 0.088 30.379 30.300 -0.016 0.000 0.874 362 R HN 0.276 nan 8.270 nan 0.000 0.451 363 E N 0.072 120.213 120.200 -0.098 0.000 2.122 363 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 363 E C 1.524 178.029 176.600 -0.157 0.000 0.977 363 E CA 0.819 57.155 56.400 -0.108 0.000 0.820 363 E CB 0.261 29.904 29.700 -0.095 0.000 0.770 363 E HN -0.009 nan 8.360 nan 0.000 0.462 364 K N 0.368 120.610 120.400 -0.263 0.000 2.155 364 K HA 0.025 4.345 4.320 -0.000 0.000 0.203 364 K C 1.998 178.504 176.600 -0.157 0.000 1.052 364 K CA 0.605 56.729 56.287 -0.272 0.000 0.948 364 K CB 0.043 32.269 32.500 -0.457 0.000 0.728 364 K HN 0.147 nan 8.250 nan 0.000 0.448 365 L N -0.112 121.035 121.223 -0.126 0.000 2.240 365 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 365 L C 2.278 179.112 176.870 -0.060 0.000 1.106 365 L CA 0.654 55.446 54.840 -0.080 0.000 0.793 365 L CB -0.282 41.739 42.059 -0.063 0.000 0.927 365 L HN 0.165 nan 8.230 nan 0.000 0.446 366 Q N 1.005 120.767 119.800 -0.062 0.000 2.119 366 Q HA -0.209 4.131 4.340 -0.000 0.000 0.201 366 Q C 1.906 177.884 176.000 -0.037 0.000 0.972 366 Q CA 1.647 57.424 55.803 -0.043 0.000 0.847 366 Q CB -0.001 28.712 28.738 -0.041 0.000 0.903 366 Q HN 0.464 nan 8.270 nan 0.000 0.433 367 E N -0.577 119.594 120.200 -0.047 0.000 2.106 367 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 367 E C 2.080 178.667 176.600 -0.021 0.000 0.984 367 E CA 0.846 57.227 56.400 -0.032 0.000 0.806 367 E CB -0.023 29.654 29.700 -0.038 0.000 0.750 367 E HN 0.298 nan 8.360 nan 0.000 0.458 368 R N 0.284 120.766 120.500 -0.031 0.000 2.115 368 R HA -0.065 4.275 4.340 -0.000 0.000 0.226 368 R C 2.369 178.660 176.300 -0.014 0.000 1.100 368 R CA 0.776 56.863 56.100 -0.022 0.000 0.980 368 R CB -0.134 30.145 30.300 -0.035 0.000 0.875 368 R HN 0.040 nan 8.270 nan 0.000 0.445 369 V N 1.059 120.963 119.914 -0.018 0.000 2.270 369 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 369 V C 2.476 178.566 176.094 -0.007 0.000 1.043 369 V CA 1.998 64.290 62.300 -0.013 0.000 1.014 369 V CB -0.784 31.030 31.823 -0.016 0.000 0.645 369 V HN 0.383 nan 8.190 nan 0.000 0.447 370 A N -0.117 122.699 122.820 -0.007 0.000 1.892 370 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 370 A C 2.289 179.876 177.584 0.004 0.000 1.188 370 A CA 1.965 54.000 52.037 -0.002 0.000 0.631 370 A CB -0.500 18.498 19.000 -0.003 0.000 0.822 370 A HN 0.423 nan 8.150 nan 0.000 0.447 371 K N -0.900 119.506 120.400 0.011 0.000 2.032 371 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 371 K C 1.926 178.538 176.600 0.021 0.000 1.048 371 K CA 1.317 57.619 56.287 0.024 0.000 0.927 371 K CB -0.814 31.711 32.500 0.042 0.000 0.712 371 K HN 0.440 nan 8.250 nan 0.000 0.441 372 L N 0.551 121.782 121.223 0.014 0.000 2.034 372 L HA 0.033 4.373 4.340 -0.000 0.000 0.203 372 L C 2.116 178.990 176.870 0.006 0.000 1.074 372 L CA 1.895 56.742 54.840 0.011 0.000 0.748 372 L CB -0.868 41.194 42.059 0.005 0.000 0.905 372 L HN 0.126 nan 8.230 nan 0.000 0.439 373 A N -1.178 121.643 122.820 0.002 0.000 2.123 373 A HA 0.148 4.468 4.320 -0.000 0.000 0.214 373 A C 2.159 179.742 177.584 -0.001 0.000 1.152 373 A CA 0.899 52.936 52.037 -0.001 0.000 0.728 373 A CB -1.099 17.899 19.000 -0.003 0.000 0.814 373 A HN 0.500 nan 8.150 nan 0.000 0.464 374 G N -0.609 108.192 108.800 0.000 0.000 2.448 374 G HA2 0.367 4.327 3.960 -0.000 0.000 0.218 374 G HA3 0.367 4.327 3.960 -0.000 0.000 0.218 374 G C 1.105 176.003 174.900 -0.002 0.000 1.135 374 G CA 0.663 45.763 45.100 -0.001 0.000 0.784 374 G HN 1.585 nan 8.290 nan 0.000 0.543 375 G N -1.583 107.217 108.800 -0.001 0.000 2.877 375 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.279 375 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.279 375 G C -0.616 174.279 174.900 -0.007 0.000 1.431 375 G CA -0.265 44.833 45.100 -0.003 0.000 0.883 375 G HN 0.946 nan 8.290 nan 0.000 0.547 376 V N 0.411 120.318 119.914 -0.012 0.000 2.588 376 V HA 0.744 4.864 4.120 -0.000 0.000 0.304 376 V C 0.721 176.804 176.094 -0.019 0.000 1.042 376 V CA -0.069 62.220 62.300 -0.018 0.000 0.877 376 V CB 1.643 33.452 31.823 -0.023 0.000 0.996 376 V HN 2.028 nan 8.190 nan 0.000 0.425 377 A N 4.500 127.307 122.820 -0.021 0.000 2.252 377 A HA 0.714 5.034 4.320 -0.000 0.000 0.309 377 A C -0.240 177.330 177.584 -0.023 0.000 1.285 377 A CA -0.404 51.621 52.037 -0.020 0.000 0.900 377 A CB 0.847 19.836 19.000 -0.018 0.000 1.157 377 A HN 1.345 nan 8.150 nan 0.000 0.536 378 V N 1.936 121.837 119.914 -0.022 0.000 2.481 378 V HA 0.734 4.854 4.120 -0.000 0.000 0.286 378 V C -0.362 175.720 176.094 -0.020 0.000 1.042 378 V CA -0.616 61.671 62.300 -0.023 0.000 0.928 378 V CB 1.011 32.821 31.823 -0.022 0.000 0.986 378 V HN 0.595 nan 8.190 nan 0.000 0.462 379 I N 5.092 125.650 120.570 -0.020 0.000 2.359 379 I HA 0.423 4.593 4.170 -0.000 0.000 0.284 379 I C 0.253 176.361 176.117 -0.015 0.000 1.018 379 I CA -0.490 60.800 61.300 -0.017 0.000 1.173 379 I CB 1.264 39.254 38.000 -0.017 0.000 1.326 379 I HN 0.618 nan 8.210 nan 0.000 0.462 380 K N 5.636 126.028 120.400 -0.014 0.000 2.316 380 K HA 0.370 4.690 4.320 -0.000 0.000 0.289 380 K C -0.629 175.965 176.600 -0.010 0.000 1.070 380 K CA -0.440 55.839 56.287 -0.012 0.000 0.928 380 K CB 1.584 34.077 32.500 -0.012 0.000 1.039 380 K HN 0.317 nan 8.250 nan 0.000 0.480 381 V N 2.979 122.887 119.914 -0.009 0.000 2.406 381 V HA 0.253 4.373 4.120 -0.000 0.000 0.272 381 V C 0.721 176.811 176.094 -0.007 0.000 1.043 381 V CA -0.600 61.696 62.300 -0.007 0.000 0.915 381 V CB 1.253 33.072 31.823 -0.006 0.000 0.988 381 V HN 0.901 nan 8.190 nan 0.000 0.466 382 G N 3.201 111.998 108.800 -0.006 0.000 2.410 382 G HA2 0.831 4.791 3.960 -0.000 0.000 0.330 382 G HA3 0.831 4.791 3.960 -0.000 0.000 0.330 382 G C -0.490 174.407 174.900 -0.005 0.000 1.142 382 G CA 0.155 45.252 45.100 -0.006 0.000 0.902 382 G HN 1.182 nan 8.290 nan 0.000 0.491 383 A N -0.306 122.511 122.820 -0.005 0.000 2.536 383 A HA 0.799 5.119 4.320 -0.000 0.000 0.293 383 A C 0.789 178.371 177.584 -0.004 0.000 1.119 383 A CA 0.410 52.445 52.037 -0.004 0.000 0.654 383 A CB 0.394 19.392 19.000 -0.004 0.000 1.291 383 A HN 1.766 nan 8.150 nan 0.000 0.439 384 A N -0.789 122.029 122.820 -0.004 0.000 1.935 384 A HA 0.468 4.788 4.320 -0.000 0.000 0.214 384 A C 1.259 178.841 177.584 -0.004 0.000 1.178 384 A CA 2.255 54.290 52.037 -0.004 0.000 0.640 384 A CB -0.389 18.610 19.000 -0.003 0.000 0.825 384 A HN 2.053 nan 8.150 nan 0.000 0.447 385 T N -2.589 111.963 114.554 -0.004 0.000 2.906 385 T HA 0.372 4.721 4.350 -0.000 0.000 0.295 385 T C 0.568 175.266 174.700 -0.004 0.000 1.061 385 T CA 0.072 62.170 62.100 -0.004 0.000 1.000 385 T CB 1.709 70.575 68.868 -0.003 0.000 1.103 385 T HN 0.321 nan 8.240 nan 0.000 0.486 386 E N 1.536 121.733 120.200 -0.004 0.000 2.070 386 E HA -0.141 4.209 4.350 -0.000 0.000 0.197 386 E C 1.898 178.496 176.600 -0.004 0.000 1.004 386 E CA 2.005 58.403 56.400 -0.004 0.000 0.805 386 E CB -0.188 29.509 29.700 -0.004 0.000 0.744 386 E HN 0.593 nan 8.360 nan 0.000 0.451 387 V N 1.146 121.058 119.914 -0.004 0.000 2.332 387 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 387 V C 2.416 178.508 176.094 -0.003 0.000 1.055 387 V CA 2.336 64.634 62.300 -0.003 0.000 1.038 387 V CB -0.684 31.137 31.823 -0.003 0.000 0.651 387 V HN 0.360 nan 8.190 nan 0.000 0.450 388 E N -0.709 119.489 120.200 -0.003 0.000 2.152 388 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 388 E C 2.155 178.753 176.600 -0.003 0.000 0.983 388 E CA 1.009 57.408 56.400 -0.003 0.000 0.818 388 E CB -0.013 29.685 29.700 -0.003 0.000 0.758 388 E HN 0.556 nan 8.360 nan 0.000 0.467 389 M N 0.504 120.102 119.600 -0.003 0.000 2.171 389 M HA -0.070 4.410 4.480 -0.000 0.000 0.260 389 M C 1.950 178.248 176.300 -0.003 0.000 1.087 389 M CA 1.256 56.554 55.300 -0.003 0.000 1.154 389 M CB -0.146 32.452 32.600 -0.004 0.000 1.331 389 M HN -0.127 nan 8.290 nan 0.000 0.431 390 K N 0.310 120.708 120.400 -0.003 0.000 2.362 390 K HA -0.198 4.122 4.320 -0.000 0.000 0.202 390 K C 1.882 178.481 176.600 -0.001 0.000 1.045 390 K CA 1.074 57.360 56.287 -0.003 0.000 0.936 390 K CB -0.067 32.431 32.500 -0.003 0.000 0.747 390 K HN 0.412 nan 8.250 nan 0.000 0.467 391 E N 1.362 121.561 120.200 -0.001 0.000 2.021 391 E HA -0.157 4.193 4.350 -0.000 0.000 0.189 391 E C 1.808 178.409 176.600 0.001 0.000 0.980 391 E CA 1.125 57.525 56.400 -0.000 0.000 0.803 391 E CB 0.054 29.753 29.700 -0.001 0.000 0.766 391 E HN 0.107 nan 8.360 nan 0.000 0.449 392 K N 1.114 121.513 120.400 -0.001 0.000 2.074 392 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 392 K C 2.357 178.958 176.600 0.001 0.000 1.048 392 K CA 1.833 58.119 56.287 -0.000 0.000 0.926 392 K CB -0.151 32.348 32.500 -0.002 0.000 0.713 392 K HN -0.037 nan 8.250 nan 0.000 0.444 393 K N 0.161 120.561 120.400 0.000 0.000 2.034 393 K HA -0.229 4.091 4.320 -0.000 0.000 0.214 393 K C 1.984 178.587 176.600 0.005 0.000 1.051 393 K CA 1.735 58.023 56.287 0.000 0.000 0.931 393 K CB -0.312 32.187 32.500 -0.001 0.000 0.715 393 K HN 0.240 nan 8.250 nan 0.000 0.446 394 A N 1.325 124.149 122.820 0.007 0.000 1.908 394 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 394 A C 2.194 179.789 177.584 0.018 0.000 1.181 394 A CA 1.783 53.828 52.037 0.014 0.000 0.627 394 A CB -0.613 18.394 19.000 0.011 0.000 0.818 394 A HN 0.436 nan 8.150 nan 0.000 0.445 395 R N -0.686 119.821 120.500 0.012 0.000 2.096 395 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 395 R C 1.986 178.295 176.300 0.015 0.000 1.127 395 R CA 1.525 57.633 56.100 0.012 0.000 0.968 395 R CB -0.335 29.969 30.300 0.006 0.000 0.861 395 R HN 0.362 nan 8.270 nan 0.000 0.440 396 V N 0.925 120.845 119.914 0.011 0.000 2.307 396 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 396 V C 1.931 178.034 176.094 0.015 0.000 1.045 396 V CA 1.900 64.205 62.300 0.009 0.000 1.024 396 V CB -0.401 31.423 31.823 0.001 0.000 0.651 396 V HN 0.401 nan 8.190 nan 0.000 0.449 397 E N -0.285 119.927 120.200 0.019 0.000 2.160 397 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 397 E C 1.957 178.610 176.600 0.089 0.000 0.991 397 E CA 1.434 57.852 56.400 0.031 0.000 0.810 397 E CB -0.154 29.568 29.700 0.037 0.000 0.742 397 E HN 0.618 nan 8.360 nan 0.000 0.466 398 D N 0.097 120.545 120.400 0.081 0.000 2.097 398 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 398 D C 1.918 178.273 176.300 0.092 0.000 0.984 398 D CA 1.291 55.346 54.000 0.091 0.000 0.826 398 D CB -0.094 40.732 40.800 0.044 0.000 0.973 398 D HN 0.153 nan 8.370 nan 0.000 0.460 399 A N 0.953 123.806 122.820 0.055 0.000 1.898 399 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 399 A C 2.317 179.928 177.584 0.046 0.000 1.181 399 A CA 0.714 52.776 52.037 0.042 0.000 0.620 399 A CB -0.834 18.179 19.000 0.022 0.000 0.819 399 A HN 0.222 nan 8.150 nan 0.000 0.442 400 L N -1.164 120.077 121.223 0.031 0.000 1.990 400 L HA -0.278 4.062 4.340 -0.000 0.000 0.213 400 L C 2.657 179.538 176.870 0.018 0.000 1.072 400 L CA 2.167 57.007 54.840 0.000 0.000 0.755 400 L CB -0.476 41.557 42.059 -0.043 0.000 0.889 400 L HN 0.511 nan 8.230 nan 0.000 0.432 401 H N -0.316 118.754 119.070 -0.000 0.000 2.252 401 H HA -0.226 4.330 4.556 -0.000 0.000 0.292 401 H C 2.104 177.435 175.328 0.004 0.000 1.082 401 H CA 1.960 58.009 56.048 0.002 0.000 1.229 401 H CB -0.416 29.347 29.762 0.002 0.000 1.353 401 H HN 0.545 nan 8.280 nan 0.000 0.488 402 A N -0.303 122.612 122.820 0.157 0.000 2.070 402 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 402 A C 2.639 180.258 177.584 0.059 0.000 1.159 402 A CA 1.882 53.968 52.037 0.082 0.000 0.656 402 A CB -0.626 18.404 19.000 0.051 0.000 0.800 402 A HN 0.468 nan 8.150 nan 0.000 0.453 403 T N -0.361 114.224 114.554 0.052 0.000 2.732 403 T HA -0.095 4.255 4.350 -0.000 0.000 0.261 403 T C 2.020 176.739 174.700 0.031 0.000 1.040 403 T CA 1.304 63.423 62.100 0.032 0.000 1.145 403 T CB -0.225 68.654 68.868 0.019 0.000 0.866 403 T HN 0.532 nan 8.240 nan 0.000 0.427 404 R N 1.141 121.660 120.500 0.032 0.000 2.139 404 R HA -0.048 4.292 4.340 -0.000 0.000 0.243 404 R C 2.540 178.864 176.300 0.040 0.000 1.145 404 R CA 1.331 57.447 56.100 0.027 0.000 0.976 404 R CB -0.362 29.949 30.300 0.018 0.000 0.866 404 R HN 0.344 nan 8.270 nan 0.000 0.449 405 A N 0.554 123.407 122.820 0.055 0.000 2.072 405 A HA 0.141 4.461 4.320 -0.000 0.000 0.216 405 A C 2.188 179.794 177.584 0.036 0.000 1.156 405 A CA 1.029 53.096 52.037 0.051 0.000 0.701 405 A CB -0.112 18.924 19.000 0.061 0.000 0.816 405 A HN 0.349 nan 8.150 nan 0.000 0.458 406 A N -0.468 122.372 122.820 0.032 0.000 1.903 406 A HA 0.120 4.440 4.320 -0.000 0.000 0.213 406 A C 2.080 179.676 177.584 0.021 0.000 1.185 406 A CA 1.335 53.387 52.037 0.024 0.000 0.628 406 A CB -0.806 18.207 19.000 0.022 0.000 0.830 406 A HN 0.306 nan 8.150 nan 0.000 0.446 407 V N 0.429 120.355 119.914 0.020 0.000 2.380 407 V HA -0.308 3.812 4.120 -0.000 0.000 0.251 407 V C 2.395 178.499 176.094 0.017 0.000 1.063 407 V CA 2.447 64.756 62.300 0.016 0.000 1.055 407 V CB -0.790 31.041 31.823 0.013 0.000 0.657 407 V HN 0.632 nan 8.190 nan 0.000 0.455 408 E N -0.632 119.580 120.200 0.020 0.000 2.051 408 E HA -0.105 4.245 4.350 -0.000 0.000 0.189 408 E C 1.668 178.279 176.600 0.019 0.000 0.979 408 E CA 1.109 57.522 56.400 0.020 0.000 0.803 408 E CB 0.091 29.806 29.700 0.026 0.000 0.761 408 E HN 0.634 nan 8.360 nan 0.000 0.451 409 E N -0.894 119.318 120.200 0.020 0.000 2.743 409 E HA 0.210 4.560 4.350 -0.000 0.000 0.222 409 E C -0.001 176.609 176.600 0.017 0.000 0.959 409 E CA 0.108 56.519 56.400 0.018 0.000 1.198 409 E CB 1.697 31.409 29.700 0.019 0.000 1.100 409 E HN 0.239 nan 8.360 nan 0.000 0.518 410 G N 1.174 109.984 108.800 0.017 0.000 2.698 410 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.225 410 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.225 410 G C -0.339 174.572 174.900 0.018 0.000 1.345 410 G CA -0.451 44.659 45.100 0.017 0.000 0.871 410 G HN 0.488 nan 8.290 nan 0.000 0.540 411 V N -2.667 117.258 119.914 0.017 0.000 3.040 411 V HA 1.004 5.124 4.120 -0.000 0.000 0.312 411 V C 0.513 176.618 176.094 0.019 0.000 1.115 411 V CA 0.176 62.487 62.300 0.018 0.000 0.998 411 V CB 1.425 33.258 31.823 0.016 0.000 1.042 411 V HN 2.535 nan 8.190 nan 0.000 0.433 412 V N -1.046 118.879 119.914 0.019 0.000 3.206 412 V HA 0.980 5.100 4.120 -0.000 0.000 0.305 412 V C 0.384 176.490 176.094 0.020 0.000 1.257 412 V CA -0.800 61.513 62.300 0.021 0.000 1.057 412 V CB 1.172 33.008 31.823 0.022 0.000 1.075 412 V HN 2.286 nan 8.190 nan 0.000 0.443 413 A N 0.749 123.584 122.820 0.024 0.000 2.563 413 A HA 0.454 4.774 4.320 -0.000 0.000 0.256 413 A C 1.385 178.977 177.584 0.014 0.000 1.056 413 A CA 0.681 52.730 52.037 0.020 0.000 0.775 413 A CB -0.438 18.580 19.000 0.030 0.000 0.973 413 A HN 2.110 nan 8.150 nan 0.000 0.516 414 G N 2.054 110.858 108.800 0.005 0.000 2.985 414 G HA2 0.274 4.234 3.960 -0.000 0.000 0.209 414 G HA3 0.274 4.234 3.960 -0.000 0.000 0.209 414 G C 0.846 175.747 174.900 0.001 0.000 1.165 414 G CA 0.661 45.763 45.100 0.002 0.000 0.776 414 G HN 1.151 nan 8.290 nan 0.000 0.541 415 G N -0.117 108.685 108.800 0.003 0.000 3.496 415 G HA2 0.409 4.369 3.960 -0.000 0.000 0.273 415 G HA3 0.409 4.369 3.960 -0.000 0.000 0.273 415 G C 1.217 176.131 174.900 0.024 0.000 1.279 415 G CA 0.241 45.347 45.100 0.010 0.000 1.041 415 G HN 1.053 nan 8.290 nan 0.000 0.539 416 G N -0.832 107.980 108.800 0.019 0.000 2.175 416 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.265 416 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.265 416 G C 1.300 176.216 174.900 0.027 0.000 0.979 416 G CA 0.698 45.811 45.100 0.022 0.000 0.663 416 G HN 0.546 nan 8.290 nan 0.000 0.533 417 V N 0.727 120.657 119.914 0.028 0.000 2.261 417 V HA -0.050 4.070 4.120 -0.000 0.000 0.246 417 V C 3.297 179.413 176.094 0.036 0.000 1.047 417 V CA 2.874 65.194 62.300 0.034 0.000 1.015 417 V CB -1.411 30.429 31.823 0.028 0.000 0.642 417 V HN 1.027 nan 8.190 nan 0.000 0.446 418 A N 0.207 123.046 122.820 0.031 0.000 1.909 418 A HA -0.281 4.039 4.320 -0.000 0.000 0.221 418 A C 2.221 179.823 177.584 0.029 0.000 1.223 418 A CA 2.423 54.479 52.037 0.031 0.000 0.658 418 A CB -0.828 18.187 19.000 0.026 0.000 0.831 418 A HN 0.393 nan 8.150 nan 0.000 0.462 419 L N -0.377 120.862 121.223 0.026 0.000 2.042 419 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 419 L C 2.457 179.342 176.870 0.025 0.000 1.076 419 L CA 1.518 56.373 54.840 0.024 0.000 0.749 419 L CB -0.970 41.102 42.059 0.022 0.000 0.893 419 L HN 0.409 nan 8.230 nan 0.000 0.432 420 I N -0.865 119.723 120.570 0.029 0.000 2.361 420 I HA -0.290 3.880 4.170 -0.000 0.000 0.251 420 I C 2.631 178.769 176.117 0.035 0.000 1.133 420 I CA 0.786 62.104 61.300 0.031 0.000 1.413 420 I CB -0.403 37.618 38.000 0.035 0.000 1.073 420 I HN 0.315 nan 8.210 nan 0.000 0.424 421 R N 1.357 121.881 120.500 0.040 0.000 2.061 421 R HA -0.143 4.197 4.340 -0.000 0.000 0.230 421 R C 2.388 178.709 176.300 0.034 0.000 1.140 421 R CA 2.220 58.346 56.100 0.044 0.000 0.940 421 R CB -0.699 29.631 30.300 0.050 0.000 0.839 421 R HN 0.273 nan 8.270 nan 0.000 0.429 422 V N -0.901 119.030 119.914 0.028 0.000 2.392 422 V HA -0.131 3.989 4.120 -0.000 0.000 0.249 422 V C 2.175 178.280 176.094 0.019 0.000 1.059 422 V CA 1.955 64.268 62.300 0.022 0.000 1.051 422 V CB -1.356 30.479 31.823 0.019 0.000 0.658 422 V HN 0.395 nan 8.190 nan 0.000 0.455 423 A N 1.326 124.157 122.820 0.020 0.000 2.019 423 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 423 A C 2.544 180.138 177.584 0.017 0.000 1.164 423 A CA 2.374 54.421 52.037 0.017 0.000 0.644 423 A CB -0.868 18.142 19.000 0.017 0.000 0.805 423 A HN 1.008 nan 8.150 nan 0.000 0.449 424 S N -0.483 115.230 115.700 0.021 0.000 2.446 424 S HA -0.028 4.442 4.470 -0.000 0.000 0.225 424 S C 1.793 176.403 174.600 0.018 0.000 1.016 424 S CA 0.842 59.054 58.200 0.020 0.000 0.943 424 S CB -0.177 63.039 63.200 0.027 0.000 0.786 424 S HN 0.578 nan 8.310 nan 0.000 0.508 425 K N 1.474 121.885 120.400 0.018 0.000 1.984 425 K HA 0.012 4.332 4.320 -0.000 0.000 0.209 425 K C 0.883 177.490 176.600 0.012 0.000 1.046 425 K CA 1.271 57.567 56.287 0.015 0.000 0.934 425 K CB -0.680 31.829 32.500 0.016 0.000 0.717 425 K HN 0.470 nan 8.250 nan 0.000 0.438 426 L N -0.157 121.073 121.223 0.011 0.000 2.873 426 L HA 0.305 4.645 4.340 -0.000 0.000 0.236 426 L C 1.120 177.995 176.870 0.008 0.000 1.375 426 L CA -0.095 54.750 54.840 0.009 0.000 1.239 426 L CB 0.071 42.135 42.059 0.008 0.000 1.603 426 L HN -0.060 nan 8.230 nan 0.000 0.430 427 A N -1.101 121.724 122.820 0.008 0.000 2.206 427 A HA -0.008 4.312 4.320 -0.000 0.000 0.211 427 A C 1.599 179.186 177.584 0.005 0.000 1.158 427 A CA 0.656 52.697 52.037 0.007 0.000 0.761 427 A CB -0.165 18.840 19.000 0.008 0.000 0.801 427 A HN 0.460 nan 8.150 nan 0.000 0.473 428 D N -0.965 119.438 120.400 0.005 0.000 2.354 428 D HA 0.102 4.742 4.640 -0.000 0.000 0.209 428 D C 0.368 176.671 176.300 0.004 0.000 1.015 428 D CA -0.141 53.861 54.000 0.004 0.000 0.867 428 D CB -0.129 40.673 40.800 0.004 0.000 0.933 428 D HN 0.289 nan 8.370 nan 0.000 0.520 429 L N 1.919 123.145 121.223 0.004 0.000 2.640 429 L HA -0.048 4.292 4.340 -0.000 0.000 0.280 429 L C 0.363 177.235 176.870 0.003 0.000 1.229 429 L CA 0.858 55.700 54.840 0.004 0.000 0.919 429 L CB 0.044 42.105 42.059 0.004 0.000 1.168 429 L HN -0.165 nan 8.230 nan 0.000 0.496 430 R N 2.894 123.395 120.500 0.003 0.000 2.930 430 R HA 0.808 5.148 4.340 -0.000 0.000 0.257 430 R C -0.057 176.244 176.300 0.002 0.000 1.107 430 R CA -0.315 55.787 56.100 0.002 0.000 0.999 430 R CB 1.387 31.688 30.300 0.002 0.000 1.209 430 R HN 0.772 nan 8.270 nan 0.000 0.486 431 G N -0.241 108.561 108.800 0.002 0.000 3.251 431 G HA2 0.351 4.311 3.960 -0.000 0.000 0.248 431 G HA3 0.351 4.311 3.960 -0.000 0.000 0.248 431 G C -0.266 174.635 174.900 0.002 0.000 1.320 431 G CA -0.161 44.940 45.100 0.002 0.000 0.982 431 G HN 0.319 nan 8.290 nan 0.000 0.575 432 Q N -0.378 119.423 119.800 0.002 0.000 2.141 432 Q HA 0.141 4.481 4.340 -0.000 0.000 0.194 432 Q C 1.202 177.203 176.000 0.001 0.000 0.975 432 Q CA 0.175 55.979 55.803 0.001 0.000 0.834 432 Q CB -0.164 28.575 28.738 0.001 0.000 0.916 432 Q HN 0.551 nan 8.270 nan 0.000 0.484 433 N N 1.214 119.915 118.700 0.002 0.000 2.458 433 N HA -0.076 4.664 4.740 -0.000 0.000 0.258 433 N C 0.614 176.125 175.510 0.002 0.000 1.219 433 N CA -0.020 53.031 53.050 0.002 0.000 0.902 433 N CB 0.607 39.095 38.487 0.002 0.000 1.076 433 N HN 0.304 nan 8.380 nan 0.000 0.455 434 E N 1.998 122.199 120.200 0.002 0.000 2.333 434 E HA -0.206 4.144 4.350 -0.000 0.000 0.198 434 E C 0.195 176.796 176.600 0.002 0.000 1.007 434 E CA 1.174 57.575 56.400 0.002 0.000 0.845 434 E CB 0.155 29.855 29.700 0.001 0.000 0.766 434 E HN 0.558 nan 8.360 nan 0.000 0.507 435 D N 0.851 121.252 120.400 0.002 0.000 2.224 435 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 435 D C 1.748 178.050 176.300 0.003 0.000 0.965 435 D CA 0.772 54.774 54.000 0.003 0.000 0.852 435 D CB -0.063 40.738 40.800 0.003 0.000 0.947 435 D HN 0.359 nan 8.370 nan 0.000 0.494 436 Q N 0.049 119.851 119.800 0.003 0.000 2.172 436 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 436 Q C 1.644 177.646 176.000 0.003 0.000 0.964 436 Q CA 0.613 56.418 55.803 0.003 0.000 0.855 436 Q CB 0.241 28.980 28.738 0.003 0.000 0.918 436 Q HN 0.146 nan 8.270 nan 0.000 0.444 437 N N -0.297 118.405 118.700 0.003 0.000 2.039 437 N HA -0.145 4.595 4.740 -0.000 0.000 0.193 437 N C 1.821 177.333 175.510 0.003 0.000 1.044 437 N CA 1.240 54.292 53.050 0.003 0.000 0.847 437 N CB -0.581 37.907 38.487 0.003 0.000 1.030 437 N HN 0.033 nan 8.380 nan 0.000 0.422 438 V N 1.202 121.118 119.914 0.003 0.000 2.313 438 V HA -0.265 3.855 4.120 -0.000 0.000 0.253 438 V C 2.412 178.509 176.094 0.004 0.000 1.070 438 V CA 2.182 64.484 62.300 0.004 0.000 1.057 438 V CB -1.405 30.420 31.823 0.004 0.000 0.653 438 V HN 0.419 nan 8.190 nan 0.000 0.450 439 G N -0.244 108.559 108.800 0.005 0.000 2.440 439 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 439 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 439 G C 1.503 176.406 174.900 0.005 0.000 1.154 439 G CA 1.320 46.423 45.100 0.005 0.000 0.767 439 G HN 0.549 nan 8.290 nan 0.000 0.552 440 I N -0.021 120.552 120.570 0.005 0.000 2.193 440 I HA -0.037 4.133 4.170 -0.000 0.000 0.240 440 I C 2.666 178.786 176.117 0.006 0.000 1.084 440 I CA 0.967 62.270 61.300 0.005 0.000 1.365 440 I CB -0.176 37.826 38.000 0.004 0.000 1.064 440 I HN -0.086 nan 8.210 nan 0.000 0.410 441 K N 0.887 121.290 120.400 0.005 0.000 2.113 441 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 441 K C 2.038 178.641 176.600 0.006 0.000 1.047 441 K CA 1.043 57.333 56.287 0.005 0.000 0.928 441 K CB -0.828 31.675 32.500 0.004 0.000 0.716 441 K HN 0.128 nan 8.250 nan 0.000 0.446 442 V N 0.623 120.540 119.914 0.006 0.000 2.233 442 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 442 V C 2.218 178.317 176.094 0.008 0.000 1.050 442 V CA 2.206 64.510 62.300 0.007 0.000 1.010 442 V CB -0.820 31.007 31.823 0.007 0.000 0.637 442 V HN 0.389 nan 8.190 nan 0.000 0.444 443 A N -0.830 121.995 122.820 0.008 0.000 1.933 443 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 443 A C 2.213 179.803 177.584 0.009 0.000 1.175 443 A CA 1.778 53.821 52.037 0.009 0.000 0.628 443 A CB -0.509 18.496 19.000 0.008 0.000 0.814 443 A HN 0.501 nan 8.150 nan 0.000 0.444 444 L N -1.429 119.799 121.223 0.008 0.000 1.961 444 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 444 L C 2.818 179.694 176.870 0.010 0.000 1.072 444 L CA 1.927 56.773 54.840 0.009 0.000 0.749 444 L CB -0.540 41.524 42.059 0.008 0.000 0.889 444 L HN 0.388 nan 8.230 nan 0.000 0.432 445 R N -0.224 120.281 120.500 0.009 0.000 2.133 445 R HA -0.218 4.122 4.340 -0.000 0.000 0.247 445 R C 2.156 178.462 176.300 0.009 0.000 1.151 445 R CA 1.568 57.672 56.100 0.008 0.000 0.971 445 R CB -0.281 30.023 30.300 0.007 0.000 0.866 445 R HN 0.430 nan 8.270 nan 0.000 0.447 446 A N -0.239 122.587 122.820 0.010 0.000 2.121 446 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 446 A C 1.914 179.505 177.584 0.013 0.000 1.154 446 A CA 0.979 53.023 52.037 0.011 0.000 0.679 446 A CB -0.236 18.772 19.000 0.013 0.000 0.795 446 A HN 0.295 nan 8.150 nan 0.000 0.458 447 M N -0.638 118.970 119.600 0.013 0.000 2.506 447 M HA -0.038 4.442 4.480 -0.000 0.000 0.260 447 M C 1.089 177.398 176.300 0.016 0.000 1.104 447 M CA 0.772 56.081 55.300 0.015 0.000 1.112 447 M CB -0.110 32.499 32.600 0.015 0.000 1.401 447 M HN 0.435 nan 8.290 nan 0.000 0.473 448 E N 0.498 120.706 120.200 0.013 0.000 2.502 448 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 448 E C 1.756 178.362 176.600 0.010 0.000 1.062 448 E CA 0.275 56.682 56.400 0.012 0.000 0.867 448 E CB 0.059 29.764 29.700 0.010 0.000 0.888 448 E HN 0.446 nan 8.360 nan 0.000 0.510 449 A N 2.403 125.230 122.820 0.011 0.000 1.854 449 A HA -0.033 4.287 4.320 -0.000 0.000 0.214 449 A C -0.277 177.313 177.584 0.010 0.000 1.192 449 A CA 0.739 52.782 52.037 0.009 0.000 0.611 449 A CB -1.238 17.768 19.000 0.010 0.000 0.832 449 A HN 0.106 nan 8.150 nan 0.000 0.442 450 P HA -0.177 nan 4.420 nan 0.000 0.214 450 P C 1.786 179.095 177.300 0.015 0.000 1.163 450 P CA 1.118 64.226 63.100 0.014 0.000 0.889 450 P CB -0.102 31.608 31.700 0.016 0.000 0.790 451 L N -0.536 120.698 121.223 0.017 0.000 1.970 451 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 451 L C 2.470 179.345 176.870 0.008 0.000 1.071 451 L CA 1.950 56.802 54.840 0.020 0.000 0.751 451 L CB -0.698 41.376 42.059 0.024 0.000 0.889 451 L HN -0.279 nan 8.230 nan 0.000 0.432 452 R N -1.065 119.436 120.500 0.001 0.000 2.154 452 R HA -0.254 4.086 4.340 -0.000 0.000 0.248 452 R C 2.325 178.621 176.300 -0.007 0.000 1.155 452 R CA 1.776 57.870 56.100 -0.010 0.000 0.979 452 R CB -0.281 30.015 30.300 -0.008 0.000 0.869 452 R HN 0.470 nan 8.270 nan 0.000 0.452 453 Q N 0.521 120.322 119.800 0.002 0.000 2.020 453 Q HA -0.052 4.288 4.340 -0.000 0.000 0.198 453 Q C 1.838 177.843 176.000 0.008 0.000 0.974 453 Q CA 1.510 57.315 55.803 0.004 0.000 0.829 453 Q CB -0.095 28.646 28.738 0.006 0.000 0.894 453 Q HN 0.243 nan 8.270 nan 0.000 0.433 454 I N -0.004 120.575 120.570 0.016 0.000 2.113 454 I HA -0.331 3.839 4.170 -0.000 0.000 0.242 454 I C 2.186 178.324 176.117 0.036 0.000 1.057 454 I CA 1.463 62.780 61.300 0.027 0.000 1.314 454 I CB -1.226 36.798 38.000 0.041 0.000 1.022 454 I HN 0.099 nan 8.210 nan 0.000 0.408 455 V N 0.814 120.745 119.914 0.028 0.000 2.324 455 V HA -0.285 3.835 4.120 -0.000 0.000 0.250 455 V C 2.550 178.643 176.094 -0.001 0.000 1.060 455 V CA 1.915 64.217 62.300 0.004 0.000 1.042 455 V CB -0.613 31.157 31.823 -0.088 0.000 0.650 455 V HN 0.330 nan 8.190 nan 0.000 0.450 456 L N 0.508 121.728 121.223 -0.005 0.000 2.056 456 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 456 L C 2.155 179.027 176.870 0.004 0.000 1.078 456 L CA 1.767 56.604 54.840 -0.004 0.000 0.749 456 L CB -0.729 41.327 42.059 -0.005 0.000 0.901 456 L HN 0.322 nan 8.230 nan 0.000 0.433 457 N N -1.209 117.495 118.700 0.008 0.000 2.586 457 N HA -0.177 4.563 4.740 -0.000 0.000 0.191 457 N C 1.391 176.909 175.510 0.013 0.000 1.085 457 N CA 1.371 54.427 53.050 0.009 0.000 0.921 457 N CB -0.569 37.923 38.487 0.009 0.000 0.954 457 N HN 0.446 nan 8.380 nan 0.000 0.448 458 C N -1.804 117.508 119.300 0.020 0.000 3.065 458 C HA 0.411 4.871 4.460 -0.000 0.000 0.285 458 C C 1.607 176.610 174.990 0.022 0.000 1.257 458 C CA 0.048 59.083 59.018 0.027 0.000 1.691 458 C CB -0.470 27.303 27.740 0.057 0.000 2.089 458 C HN 0.538 nan 8.230 nan 0.000 0.630 459 G N 1.522 110.329 108.800 0.012 0.000 2.136 459 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.242 459 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.242 459 G C -0.380 174.524 174.900 0.005 0.000 0.989 459 G CA 0.025 45.130 45.100 0.008 0.000 0.682 459 G HN 0.483 nan 8.290 nan 0.000 0.522 460 E N 0.770 120.970 120.200 -0.000 0.000 2.222 460 E HA 0.358 4.708 4.350 -0.000 0.000 0.272 460 E C 0.403 176.979 176.600 -0.039 0.000 0.982 460 E CA -0.745 55.644 56.400 -0.018 0.000 0.842 460 E CB 0.784 30.465 29.700 -0.031 0.000 1.144 460 E HN 0.409 nan 8.360 nan 0.000 0.397 461 E N 2.734 122.909 120.200 -0.041 0.000 2.585 461 E HA -0.037 4.313 4.350 -0.000 0.000 0.252 461 E C -1.676 174.883 176.600 -0.069 0.000 0.981 461 E CA -0.911 55.463 56.400 -0.042 0.000 0.943 461 E CB 0.408 30.088 29.700 -0.033 0.000 0.923 461 E HN 0.223 nan 8.360 nan 0.000 0.486 462 P HA -0.117 nan 4.420 nan 0.000 0.215 462 P C 1.494 178.761 177.300 -0.055 0.000 1.157 462 P CA 0.942 64.003 63.100 -0.064 0.000 0.869 462 P CB 0.070 31.748 31.700 -0.038 0.000 0.781 463 S N 0.075 115.755 115.700 -0.035 0.000 2.406 463 S HA -0.235 4.235 4.470 -0.000 0.000 0.242 463 S C 2.067 176.650 174.600 -0.029 0.000 1.079 463 S CA 2.151 60.336 58.200 -0.025 0.000 1.133 463 S CB -2.050 61.139 63.200 -0.018 0.000 1.005 463 S HN -0.049 nan 8.310 nan 0.000 0.443 464 V N 1.462 121.355 119.914 -0.036 0.000 2.270 464 V HA -0.125 3.995 4.120 -0.000 0.000 0.245 464 V C 2.680 178.752 176.094 -0.036 0.000 1.043 464 V CA 1.743 64.025 62.300 -0.030 0.000 1.014 464 V CB -0.740 31.069 31.823 -0.023 0.000 0.645 464 V HN 0.476 nan 8.190 nan 0.000 0.447 465 V N 0.149 120.008 119.914 -0.093 0.000 2.332 465 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 465 V C 2.662 178.735 176.094 -0.033 0.000 1.055 465 V CA 2.140 64.362 62.300 -0.130 0.000 1.038 465 V CB -1.083 30.444 31.823 -0.493 0.000 0.651 465 V HN 0.579 nan 8.190 nan 0.000 0.450 466 A N 0.625 123.419 122.820 -0.043 0.000 1.851 466 A HA -0.336 3.984 4.320 -0.000 0.000 0.216 466 A C 2.058 179.649 177.584 0.013 0.000 1.195 466 A CA 2.465 54.498 52.037 -0.007 0.000 0.622 466 A CB -1.063 17.931 19.000 -0.011 0.000 0.831 466 A HN 0.684 nan 8.150 nan 0.000 0.444 467 N N -0.407 118.294 118.700 0.001 0.000 2.091 467 N HA -0.234 4.506 4.740 -0.000 0.000 0.193 467 N C 1.775 177.289 175.510 0.007 0.000 1.021 467 N CA 3.401 56.453 53.050 0.003 0.000 0.862 467 N CB -0.516 37.967 38.487 -0.007 0.000 1.018 467 N HN 0.542 nan 8.380 nan 0.000 0.429 468 T N -2.158 112.393 114.554 -0.005 0.000 2.896 468 T HA -0.004 4.346 4.350 -0.000 0.000 0.263 468 T C 1.943 176.676 174.700 0.055 0.000 1.050 468 T CA 1.293 63.373 62.100 -0.033 0.000 1.140 468 T CB -0.750 67.997 68.868 -0.201 0.000 0.877 468 T HN 0.025 nan 8.240 nan 0.000 0.457 469 V N 2.179 122.152 119.914 0.098 0.000 2.282 469 V HA -0.197 3.923 4.120 -0.000 0.000 0.249 469 V C 2.898 179.078 176.094 0.143 0.000 1.057 469 V CA 2.131 64.509 62.300 0.130 0.000 1.032 469 V CB -0.653 31.232 31.823 0.103 0.000 0.645 469 V HN 0.533 nan 8.190 nan 0.000 0.447 470 K N 0.263 120.715 120.400 0.087 0.000 2.113 470 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 470 K C 2.122 178.764 176.600 0.070 0.000 1.047 470 K CA 1.602 57.930 56.287 0.068 0.000 0.928 470 K CB -0.697 31.827 32.500 0.039 0.000 0.716 470 K HN 0.596 nan 8.250 nan 0.000 0.446 471 G N 0.784 109.624 108.800 0.067 0.000 2.625 471 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.214 471 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.214 471 G C 0.736 175.660 174.900 0.039 0.000 1.132 471 G CA 0.665 45.789 45.100 0.040 0.000 0.782 471 G HN 0.362 nan 8.290 nan 0.000 0.538 472 G N -1.099 107.772 108.800 0.119 0.000 2.641 472 G HA2 0.535 4.495 3.960 -0.000 0.000 0.239 472 G HA3 0.535 4.495 3.960 -0.000 0.000 0.239 472 G C -1.111 173.831 174.900 0.071 0.000 1.402 472 G CA -0.465 44.673 45.100 0.063 0.000 1.046 472 G HN 0.116 nan 8.290 nan 0.000 0.565 473 D N -1.972 118.469 120.400 0.069 0.000 2.570 473 D HA 0.487 5.127 4.640 -0.000 0.000 0.244 473 D C 0.794 177.151 176.300 0.095 0.000 1.178 473 D CA 0.596 54.631 54.000 0.060 0.000 0.881 473 D CB 2.096 42.900 40.800 0.007 0.000 1.453 473 D HN 0.860 nan 8.370 nan 0.000 0.447 474 G N 1.733 110.576 108.800 0.072 0.000 2.651 474 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.315 474 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.315 474 G C 0.444 175.403 174.900 0.098 0.000 1.258 474 G CA 0.156 45.299 45.100 0.072 0.000 1.002 474 G HN 0.571 nan 8.290 nan 0.000 0.551 475 N N 0.493 119.255 118.700 0.104 0.000 2.327 475 N HA 0.178 4.918 4.740 -0.000 0.000 0.231 475 N C -0.161 175.440 175.510 0.152 0.000 1.130 475 N CA 0.050 53.161 53.050 0.103 0.000 0.845 475 N CB 0.155 38.683 38.487 0.069 0.000 1.073 475 N HN 0.452 nan 8.380 nan 0.000 0.496 476 Y N 1.030 121.361 120.300 0.052 0.000 2.377 476 Y HA 0.462 5.012 4.550 -0.000 0.000 0.330 476 Y C 0.741 176.704 175.900 0.106 0.000 1.108 476 Y CA -0.117 58.028 58.100 0.075 0.000 1.308 476 Y CB 0.451 38.950 38.460 0.066 0.000 1.216 476 Y HN 0.115 nan 8.280 nan 0.000 0.518 477 G N 3.942 112.524 108.800 -0.362 0.000 2.619 477 G HA2 0.271 4.231 3.960 -0.000 0.000 0.305 477 G HA3 0.271 4.231 3.960 -0.000 0.000 0.305 477 G C -2.494 172.296 174.900 -0.184 0.000 1.330 477 G CA -0.934 44.035 45.100 -0.219 0.000 0.789 477 G HN 0.558 nan 8.290 nan 0.000 0.487 478 Y N 1.345 121.519 120.300 -0.210 0.000 2.331 478 Y HA 0.624 5.174 4.550 -0.000 0.000 0.338 478 Y C -0.222 175.520 175.900 -0.264 0.000 0.992 478 Y CA -1.295 56.580 58.100 -0.374 0.000 1.121 478 Y CB 1.652 39.892 38.460 -0.365 0.000 1.184 478 Y HN 0.472 nan 8.280 nan 0.000 0.469 479 N N 4.739 122.988 118.700 -0.751 0.000 2.462 479 N HA 0.255 4.995 4.740 -0.000 0.000 0.242 479 N C 0.304 175.312 175.510 -0.837 0.000 1.010 479 N CA 0.358 53.072 53.050 -0.560 0.000 0.939 479 N CB 1.418 39.688 38.487 -0.361 0.000 1.127 479 N HN 0.858 nan 8.380 nan 0.000 0.509 480 A N 3.841 126.359 122.820 -0.502 0.000 1.972 480 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 480 A C 2.002 179.455 177.584 -0.218 0.000 1.169 480 A CA 1.671 53.534 52.037 -0.289 0.000 0.635 480 A CB -0.726 18.284 19.000 0.017 0.000 0.810 480 A HN 0.748 nan 8.150 nan 0.000 0.446 481 A N -0.610 122.094 122.820 -0.194 0.000 1.969 481 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 481 A C 2.217 179.716 177.584 -0.142 0.000 1.169 481 A CA 2.283 54.242 52.037 -0.129 0.000 0.635 481 A CB -0.708 18.232 19.000 -0.100 0.000 0.810 481 A HN 0.836 nan 8.150 nan 0.000 0.445 482 T N -4.416 110.010 114.554 -0.214 0.000 3.003 482 T HA 0.242 4.592 4.350 -0.000 0.000 0.261 482 T C 0.270 174.835 174.700 -0.225 0.000 1.003 482 T CA 0.702 62.695 62.100 -0.179 0.000 0.917 482 T CB -0.166 68.611 68.868 -0.152 0.000 1.084 482 T HN 0.574 nan 8.240 nan 0.000 0.522 483 E N 0.419 120.385 120.200 -0.391 0.000 2.971 483 E HA -0.180 4.170 4.350 -0.000 0.000 0.278 483 E C -0.684 175.684 176.600 -0.386 0.000 1.009 483 E CA 0.769 56.929 56.400 -0.400 0.000 0.862 483 E CB -2.203 27.461 29.700 -0.059 0.000 1.436 483 E HN 0.753 nan 8.360 nan 0.000 0.434 484 E N -0.370 119.546 120.200 -0.474 0.000 2.221 484 E HA 0.519 4.869 4.350 -0.000 0.000 0.268 484 E C -0.607 175.744 176.600 -0.415 0.000 0.933 484 E CA -0.733 55.491 56.400 -0.292 0.000 0.809 484 E CB 0.956 30.587 29.700 -0.116 0.000 1.190 484 E HN 0.059 nan 8.360 nan 0.000 0.406 485 Y N 0.406 120.689 120.300 -0.029 0.000 2.316 485 Y HA 0.658 5.208 4.550 -0.000 0.000 0.324 485 Y C 1.046 176.933 175.900 -0.021 0.000 1.267 485 Y CA 0.198 58.247 58.100 -0.085 0.000 1.311 485 Y CB 1.611 40.058 38.460 -0.022 0.000 1.267 485 Y HN 0.655 nan 8.280 nan 0.000 0.516 486 G N 0.583 109.433 108.800 0.083 0.000 2.323 486 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.291 486 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.291 486 G C -1.897 173.110 174.900 0.178 0.000 1.278 486 G CA -1.194 44.027 45.100 0.202 0.000 0.860 486 G HN 0.562 nan 8.290 nan 0.000 0.504 487 N N 1.200 120.001 118.700 0.168 0.000 2.415 487 N HA 0.105 4.845 4.740 -0.000 0.000 0.246 487 N C 1.766 177.310 175.510 0.056 0.000 1.078 487 N CA -0.550 52.580 53.050 0.134 0.000 0.942 487 N CB 0.662 39.218 38.487 0.114 0.000 1.140 487 N HN 0.405 nan 8.380 nan 0.000 0.501 488 M N 3.484 123.103 119.600 0.032 0.000 2.144 488 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 488 M C 1.689 177.991 176.300 0.005 0.000 1.067 488 M CA 1.360 56.659 55.300 -0.002 0.000 1.095 488 M CB -0.583 32.013 32.600 -0.007 0.000 1.365 488 M HN 0.584 nan 8.290 nan 0.000 0.406 489 I N 0.249 120.831 120.570 0.021 0.000 2.286 489 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 489 I C 1.974 178.098 176.117 0.013 0.000 1.104 489 I CA 1.069 62.379 61.300 0.016 0.000 1.397 489 I CB -0.359 37.655 38.000 0.022 0.000 1.072 489 I HN 0.210 nan 8.210 nan 0.000 0.417 490 D N 0.656 121.068 120.400 0.020 0.000 2.144 490 D HA -0.155 4.485 4.640 -0.000 0.000 0.199 490 D C 2.099 178.403 176.300 0.006 0.000 0.984 490 D CA 1.424 55.434 54.000 0.017 0.000 0.834 490 D CB -0.200 40.616 40.800 0.027 0.000 0.955 490 D HN 0.354 nan 8.370 nan 0.000 0.465 491 M N -0.453 119.146 119.600 -0.001 0.000 2.659 491 M HA 0.130 4.610 4.480 -0.000 0.000 0.243 491 M C 1.053 177.339 176.300 -0.024 0.000 1.111 491 M CA 0.599 55.887 55.300 -0.019 0.000 1.070 491 M CB 0.218 32.795 32.600 -0.039 0.000 1.525 491 M HN 0.017 nan 8.290 nan 0.000 0.517 492 G N 1.837 110.629 108.800 -0.014 0.000 2.198 492 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.257 492 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.257 492 G C -0.168 174.721 174.900 -0.019 0.000 1.042 492 G CA -0.312 44.780 45.100 -0.013 0.000 0.791 492 G HN 0.416 nan 8.290 nan 0.000 0.502 493 I N 1.023 121.580 120.570 -0.023 0.000 2.442 493 I HA 0.479 4.649 4.170 -0.000 0.000 0.279 493 I C 0.113 176.223 176.117 -0.012 0.000 1.081 493 I CA -1.112 60.173 61.300 -0.026 0.000 1.197 493 I CB 0.175 38.147 38.000 -0.046 0.000 1.394 493 I HN 0.252 nan 8.210 nan 0.000 0.488 494 L N 2.555 123.775 121.223 -0.005 0.000 2.408 494 L HA 0.731 5.071 4.340 -0.000 0.000 0.268 494 L C -0.620 176.253 176.870 0.005 0.000 0.986 494 L CA -0.598 54.244 54.840 0.003 0.000 0.820 494 L CB 1.711 43.774 42.059 0.007 0.000 1.303 494 L HN 0.032 nan 8.230 nan 0.000 0.411 495 D N 2.291 122.696 120.400 0.008 0.000 2.210 495 D HA 0.443 5.083 4.640 -0.000 0.000 0.249 495 D C -2.434 173.875 176.300 0.015 0.000 1.062 495 D CA -1.290 52.716 54.000 0.011 0.000 0.891 495 D CB 1.464 42.271 40.800 0.012 0.000 1.186 495 D HN 0.399 nan 8.370 nan 0.000 0.432 496 P HA 0.024 nan 4.420 nan 0.000 0.269 496 P C 0.762 178.075 177.300 0.021 0.000 1.217 496 P CA 0.049 63.162 63.100 0.021 0.000 0.783 496 P CB 0.597 32.313 31.700 0.026 0.000 0.898 497 T N 0.580 115.147 114.554 0.022 0.000 2.812 497 T HA -0.126 4.224 4.350 -0.000 0.000 0.264 497 T C 1.638 176.352 174.700 0.023 0.000 1.042 497 T CA 1.105 63.217 62.100 0.021 0.000 1.140 497 T CB -0.367 68.512 68.868 0.018 0.000 0.870 497 T HN 0.424 nan 8.240 nan 0.000 0.445 498 K N 1.014 121.430 120.400 0.026 0.000 2.030 498 K HA -0.215 4.105 4.320 -0.000 0.000 0.222 498 K C 2.368 178.991 176.600 0.037 0.000 1.056 498 K CA 2.185 58.491 56.287 0.032 0.000 0.957 498 K CB -0.812 31.710 32.500 0.038 0.000 0.727 498 K HN 0.254 nan 8.250 nan 0.000 0.452 499 V N -0.082 119.852 119.914 0.034 0.000 2.332 499 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 499 V C 1.760 177.875 176.094 0.036 0.000 1.055 499 V CA 2.631 64.952 62.300 0.034 0.000 1.038 499 V CB -0.879 30.954 31.823 0.018 0.000 0.651 499 V HN 0.494 nan 8.190 nan 0.000 0.450 500 T N 0.588 115.159 114.554 0.029 0.000 2.746 500 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 500 T C 1.953 176.670 174.700 0.029 0.000 1.039 500 T CA 2.102 64.218 62.100 0.027 0.000 1.142 500 T CB -0.379 68.502 68.868 0.022 0.000 0.866 500 T HN 0.685 nan 8.240 nan 0.000 0.444 501 R N 1.003 121.518 120.500 0.025 0.000 2.061 501 R HA -0.078 4.262 4.340 -0.000 0.000 0.230 501 R C 2.576 178.886 176.300 0.017 0.000 1.140 501 R CA 1.820 57.928 56.100 0.014 0.000 0.940 501 R CB -0.568 29.735 30.300 0.005 0.000 0.839 501 R HN 0.203 nan 8.270 nan 0.000 0.429 502 S N 0.822 116.548 115.700 0.042 0.000 2.372 502 S HA -0.240 4.230 4.470 -0.000 0.000 0.227 502 S C 2.075 176.785 174.600 0.184 0.000 1.044 502 S CA 1.529 59.791 58.200 0.104 0.000 1.050 502 S CB -0.487 62.816 63.200 0.172 0.000 0.901 502 S HN 0.616 nan 8.310 nan 0.000 0.447 503 A N 1.321 124.218 122.820 0.130 0.000 1.892 503 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 503 A C 2.150 179.793 177.584 0.097 0.000 1.188 503 A CA 1.484 53.590 52.037 0.115 0.000 0.631 503 A CB -0.864 18.173 19.000 0.063 0.000 0.822 503 A HN 0.472 nan 8.150 nan 0.000 0.447 504 L N -1.021 120.236 121.223 0.056 0.000 2.046 504 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 504 L C 2.849 179.733 176.870 0.022 0.000 1.077 504 L CA 1.964 56.824 54.840 0.034 0.000 0.747 504 L CB -0.430 41.639 42.059 0.016 0.000 0.896 504 L HN 0.562 nan 8.230 nan 0.000 0.432 505 Q N -1.562 118.229 119.800 -0.015 0.000 2.049 505 Q HA -0.206 4.134 4.340 -0.000 0.000 0.198 505 Q C 2.077 178.028 176.000 -0.082 0.000 0.971 505 Q CA 1.558 57.304 55.803 -0.095 0.000 0.833 505 Q CB -0.150 28.468 28.738 -0.200 0.000 0.896 505 Q HN 0.419 nan 8.270 nan 0.000 0.434 506 Y N 0.526 120.829 120.300 0.005 0.000 2.128 506 Y HA -0.258 4.292 4.550 -0.000 0.000 0.284 506 Y C 2.426 178.329 175.900 0.005 0.000 1.154 506 Y CA 1.160 59.263 58.100 0.005 0.000 1.149 506 Y CB -0.851 37.611 38.460 0.003 0.000 0.976 506 Y HN 0.154 nan 8.280 nan 0.000 0.505 507 A N 0.133 123.056 122.820 0.172 0.000 1.903 507 A HA -0.273 4.047 4.320 -0.000 0.000 0.219 507 A C 2.486 180.111 177.584 0.068 0.000 1.191 507 A CA 2.509 54.602 52.037 0.094 0.000 0.638 507 A CB -1.399 17.640 19.000 0.065 0.000 0.823 507 A HN 0.447 nan 8.150 nan 0.000 0.451 508 A N -0.578 122.271 122.820 0.049 0.000 1.902 508 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 508 A C 2.511 180.111 177.584 0.028 0.000 1.181 508 A CA 2.356 54.409 52.037 0.026 0.000 0.623 508 A CB -1.038 17.965 19.000 0.005 0.000 0.818 508 A HN 0.882 nan 8.150 nan 0.000 0.443 509 S N -0.555 115.166 115.700 0.034 0.000 2.363 509 S HA -0.169 4.301 4.470 -0.000 0.000 0.218 509 S C 1.942 176.574 174.600 0.053 0.000 1.035 509 S CA 1.925 60.147 58.200 0.037 0.000 1.043 509 S CB -0.999 62.229 63.200 0.046 0.000 0.986 509 S HN 0.625 nan 8.310 nan 0.000 0.423 510 V N 2.176 122.136 119.914 0.077 0.000 2.380 510 V HA -0.133 3.987 4.120 -0.000 0.000 0.251 510 V C 2.844 178.965 176.094 0.044 0.000 1.063 510 V CA 2.280 64.617 62.300 0.062 0.000 1.055 510 V CB -1.381 30.480 31.823 0.064 0.000 0.657 510 V HN 0.692 nan 8.190 nan 0.000 0.455 511 A N -0.342 122.502 122.820 0.040 0.000 1.902 511 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 511 A C 2.345 179.945 177.584 0.026 0.000 1.181 511 A CA 1.886 53.942 52.037 0.031 0.000 0.623 511 A CB -1.279 17.737 19.000 0.027 0.000 0.818 511 A HN 0.626 nan 8.150 nan 0.000 0.443 512 G N -0.257 108.558 108.800 0.026 0.000 2.414 512 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.215 512 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.215 512 G C 1.374 176.288 174.900 0.024 0.000 1.188 512 G CA 1.043 46.155 45.100 0.021 0.000 0.783 512 G HN 0.313 nan 8.290 nan 0.000 0.537 513 L N 0.549 121.789 121.223 0.028 0.000 2.054 513 L HA -0.164 4.176 4.340 -0.000 0.000 0.220 513 L C 3.032 179.920 176.870 0.031 0.000 1.081 513 L CA 1.740 56.599 54.840 0.031 0.000 0.780 513 L CB -0.570 41.511 42.059 0.036 0.000 0.893 513 L HN 0.282 nan 8.230 nan 0.000 0.438 514 M N -2.064 117.554 119.600 0.030 0.000 2.200 514 M HA -0.150 4.330 4.480 -0.000 0.000 0.265 514 M C 2.191 178.506 176.300 0.026 0.000 1.066 514 M CA 1.414 56.731 55.300 0.029 0.000 1.127 514 M CB -0.320 32.297 32.600 0.028 0.000 1.379 514 M HN 0.150 nan 8.290 nan 0.000 0.420 515 I N 0.287 120.871 120.570 0.023 0.000 2.614 515 I HA -0.199 3.971 4.170 -0.000 0.000 0.258 515 I C 2.111 178.241 176.117 0.022 0.000 1.189 515 I CA 1.327 62.639 61.300 0.020 0.000 1.462 515 I CB -0.425 37.585 38.000 0.017 0.000 1.092 515 I HN 0.377 nan 8.210 nan 0.000 0.442 516 T N -3.993 110.575 114.554 0.024 0.000 3.105 516 T HA 0.147 4.497 4.350 -0.000 0.000 0.253 516 T C 0.756 175.476 174.700 0.033 0.000 1.047 516 T CA -0.229 61.886 62.100 0.026 0.000 0.944 516 T CB -0.494 68.388 68.868 0.023 0.000 1.016 516 T HN -0.018 nan 8.240 nan 0.000 0.544 517 T N 2.967 117.542 114.554 0.035 0.000 2.814 517 T HA 0.198 4.548 4.350 -0.000 0.000 0.297 517 T C 0.697 175.429 174.700 0.053 0.000 0.956 517 T CA -0.226 61.900 62.100 0.044 0.000 1.123 517 T CB 1.006 69.899 68.868 0.041 0.000 0.902 517 T HN 0.146 nan 8.240 nan 0.000 0.528 518 E N 0.649 120.893 120.200 0.073 0.000 2.490 518 E HA 0.180 4.530 4.350 -0.000 0.000 0.209 518 E C 0.097 176.803 176.600 0.175 0.000 0.971 518 E CA 0.087 56.552 56.400 0.108 0.000 0.988 518 E CB 0.688 30.450 29.700 0.102 0.000 1.029 518 E HN 0.578 nan 8.360 nan 0.000 0.496 519 C N 0.641 120.012 119.300 0.119 0.000 3.006 519 C HA 0.635 5.095 4.460 -0.000 0.000 0.359 519 C C -1.449 173.541 174.990 0.001 0.000 1.103 519 C CA -0.630 58.424 59.018 0.059 0.000 1.286 519 C CB 0.252 28.085 27.740 0.155 0.000 1.694 519 C HN 0.102 nan 8.230 nan 0.000 0.511 520 M N 5.128 124.700 119.600 -0.046 0.000 2.395 520 M HA 0.632 5.112 4.480 -0.000 0.000 0.307 520 M C -1.120 175.238 176.300 0.096 0.000 1.091 520 M CA -0.632 54.716 55.300 0.081 0.000 0.919 520 M CB 2.197 34.937 32.600 0.233 0.000 1.662 520 M HN 0.406 nan 8.290 nan 0.000 0.440 521 V N 1.545 121.480 119.914 0.034 0.000 2.482 521 V HA 0.694 4.814 4.120 -0.000 0.000 0.295 521 V C -0.425 175.602 176.094 -0.113 0.000 1.026 521 V CA -0.337 61.946 62.300 -0.029 0.000 0.856 521 V CB 1.987 33.792 31.823 -0.031 0.000 1.001 521 V HN 0.966 nan 8.190 nan 0.000 0.424 522 T N 2.374 116.805 114.554 -0.206 0.000 2.816 522 T HA 0.449 4.799 4.350 -0.000 0.000 0.299 522 T C -1.094 173.477 174.700 -0.214 0.000 1.230 522 T CA -0.542 61.389 62.100 -0.281 0.000 1.007 522 T CB 1.862 70.394 68.868 -0.561 0.000 1.289 522 T HN 0.635 nan 8.240 nan 0.000 0.508 523 D N 1.438 121.734 120.400 -0.174 0.000 2.382 523 D HA 0.306 4.946 4.640 -0.000 0.000 0.240 523 D C 0.193 176.426 176.300 -0.112 0.000 1.146 523 D CA 0.048 53.979 54.000 -0.114 0.000 0.897 523 D CB 0.393 41.142 40.800 -0.085 0.000 1.197 523 D HN 0.380 nan 8.370 nan 0.000 0.432 524 L N 3.345 124.530 121.223 -0.063 0.000 2.499 524 L HA 0.134 4.474 4.340 -0.000 0.000 0.273 524 L C -1.267 175.580 176.870 -0.038 0.000 1.195 524 L CA -1.478 53.340 54.840 -0.037 0.000 0.882 524 L CB -0.160 41.889 42.059 -0.016 0.000 1.133 524 L HN 0.392 nan 8.230 nan 0.000 0.483 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.089 63.100 -0.018 0.000 0.800 525 P CB 0.000 31.703 31.700 0.006 0.000 0.726