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 1hr6_1_E DATA FIRST_RESID 14 DATA SEQUENCE ARTDNFKLSS LANGLKVATS NTPGHFSALG LYIDAGSRFE GRNLKGCTHI DATA SEQUENCE LDRLAFKSTE HVEGRAMAET LELLGGNYQC TSSRENLMYQ ASVFNQDVGK DATA SEQUENCE MLQLMSETVR FPKITEQELQ EQKLSAEYEI DEVWMKPELV LPELLHTAAY DATA SEQUENCE SGETLGSPLI CPRGLIPSIS KYYLLDYRNK FYTPENTVAA FVGVPHEKAL DATA SEQUENCE ELTGKYLGDW QSTHPPITKK VAQYTGGESC IPPAPVFGNL PELFHIQIGF DATA SEQUENCE EGLPIDHPDI YALATLQTLL GGGGSFSAGG PGKGMYSRLY THVLNQYYFV DATA SEQUENCE ENCVAFNHSY SDSGIFGISL SCIPQAAPQA VEVIAQQMYN TFANKDLRLT DATA SEQUENCE EDEVSRAKNQ LKSSLLMNLE SKLVELEDMG RQVLMHGRKI PVNEMISKIE DATA SEQUENCE DLKPDDISRV AEMIFTGNVN NAGNGKGRAT VVMQGDRGSF GDVENVLKAY DATA SEQUENCE GLGNS 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.663 177.584 0.132 0.000 1.274 14 A CA 0.000 52.156 52.037 0.198 0.000 0.836 14 A CB 0.000 19.055 19.000 0.092 0.000 0.831 15 R N -0.434 120.111 120.500 0.074 0.000 2.023 15 R HA 0.144 4.484 4.340 -0.000 0.000 0.217 15 R C 2.052 178.378 176.300 0.043 0.000 1.255 15 R CA 1.585 57.713 56.100 0.047 0.000 0.981 15 R CB -0.911 29.406 30.300 0.028 0.000 0.853 15 R HN 0.545 nan 8.270 nan 0.000 0.463 16 T N 1.779 116.352 114.554 0.033 0.000 2.803 16 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 16 T C 1.121 175.846 174.700 0.042 0.000 1.052 16 T CA 1.541 63.658 62.100 0.028 0.000 1.136 16 T CB -0.419 68.459 68.868 0.017 0.000 0.864 16 T HN 0.210 nan 8.240 nan 0.000 0.467 17 D N 1.091 121.528 120.400 0.061 0.000 2.133 17 D HA -0.153 4.487 4.640 -0.000 0.000 0.192 17 D C 1.352 177.718 176.300 0.109 0.000 1.001 17 D CA 1.466 55.521 54.000 0.091 0.000 0.844 17 D CB -0.407 40.478 40.800 0.142 0.000 0.944 17 D HN 0.427 nan 8.370 nan 0.000 0.447 18 N N -1.868 116.897 118.700 0.107 0.000 2.862 18 N HA -0.234 4.506 4.740 -0.000 0.000 0.248 18 N C -0.850 174.723 175.510 0.105 0.000 1.116 18 N CA 0.160 53.254 53.050 0.072 0.000 0.727 18 N CB -2.020 36.499 38.487 0.053 0.000 1.083 18 N HN 0.143 nan 8.380 nan 0.000 0.555 19 F N 1.716 121.665 119.950 -0.002 0.000 2.467 19 F HA 0.496 5.023 4.527 -0.000 0.000 0.362 19 F C 0.276 176.051 175.800 -0.042 0.000 1.090 19 F CA 0.059 58.060 58.000 0.003 0.000 1.202 19 F CB 0.530 39.536 39.000 0.011 0.000 1.113 19 F HN 0.062 nan 8.300 nan 0.000 0.541 20 K N 6.555 126.435 120.400 -0.866 0.000 2.422 20 K HA 0.657 4.977 4.320 -0.000 0.000 0.251 20 K C -1.978 174.011 176.600 -1.018 0.000 0.933 20 K CA -1.082 54.627 56.287 -0.963 0.000 0.798 20 K CB 2.590 34.556 32.500 -0.891 0.000 1.238 20 K HN 0.607 nan 8.250 nan 0.000 0.428 21 L N 1.312 122.075 121.223 -0.767 0.000 2.436 21 L HA 0.600 4.940 4.340 -0.000 0.000 0.268 21 L C -1.321 175.516 176.870 -0.055 0.000 0.974 21 L CA 0.155 54.826 54.840 -0.282 0.000 0.826 21 L CB 2.081 44.020 42.059 -0.200 0.000 1.291 21 L HN 0.845 nan 8.230 nan 0.000 0.406 22 S N 1.656 117.437 115.700 0.135 0.000 2.688 22 S HA 0.881 5.351 4.470 -0.000 0.000 0.275 22 S C -1.037 173.625 174.600 0.103 0.000 1.175 22 S CA -0.847 57.424 58.200 0.118 0.000 0.818 22 S CB 1.585 64.893 63.200 0.180 0.000 1.157 22 S HN 0.590 nan 8.310 nan 0.000 0.482 23 S N 0.197 115.941 115.700 0.072 0.000 2.566 23 S HA 0.670 5.140 4.470 -0.000 0.000 0.298 23 S C -0.547 174.081 174.600 0.046 0.000 1.083 23 S CA -0.882 57.354 58.200 0.059 0.000 0.978 23 S CB 0.905 64.132 63.200 0.044 0.000 1.073 23 S HN 0.620 nan 8.310 nan 0.000 0.491 24 L N 1.380 122.631 121.223 0.045 0.000 2.454 24 L HA 0.436 4.776 4.340 -0.000 0.000 0.256 24 L C 1.723 178.609 176.870 0.026 0.000 1.136 24 L CA -0.649 54.214 54.840 0.039 0.000 0.804 24 L CB 0.382 42.475 42.059 0.057 0.000 1.181 24 L HN 0.900 nan 8.230 nan 0.000 0.469 25 A N 1.300 124.134 122.820 0.023 0.000 1.940 25 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 25 A C 1.533 179.119 177.584 0.004 0.000 1.176 25 A CA 1.995 54.041 52.037 0.015 0.000 0.631 25 A CB -0.849 18.162 19.000 0.017 0.000 0.814 25 A HN 0.927 nan 8.150 nan 0.000 0.446 26 N N -1.005 117.695 118.700 0.000 0.000 2.515 26 N HA 0.252 4.992 4.740 -0.000 0.000 0.191 26 N C 0.983 176.447 175.510 -0.077 0.000 1.182 26 N CA 1.210 54.235 53.050 -0.042 0.000 0.879 26 N CB -0.390 38.068 38.487 -0.048 0.000 0.984 26 N HN 0.806 nan 8.380 nan 0.000 0.453 27 G N -0.631 108.147 108.800 -0.037 0.000 2.195 27 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.246 27 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.246 27 G C -0.197 174.686 174.900 -0.028 0.000 0.984 27 G CA 0.183 45.258 45.100 -0.042 0.000 0.633 27 G HN 0.512 nan 8.290 nan 0.000 0.525 28 L N 1.914 123.130 121.223 -0.011 0.000 2.477 28 L HA 0.505 4.845 4.340 -0.000 0.000 0.272 28 L C 0.698 177.613 176.870 0.076 0.000 1.157 28 L CA 0.212 55.077 54.840 0.043 0.000 0.889 28 L CB 0.283 42.412 42.059 0.117 0.000 1.158 28 L HN 0.205 nan 8.230 nan 0.000 0.473 29 K N 4.014 124.467 120.400 0.088 0.000 2.174 29 K HA 0.527 4.847 4.320 -0.000 0.000 0.275 29 K C -1.145 175.548 176.600 0.155 0.000 1.015 29 K CA -0.687 55.666 56.287 0.109 0.000 0.933 29 K CB 1.538 34.100 32.500 0.103 0.000 1.025 29 K HN 0.437 nan 8.250 nan 0.000 0.463 30 V N 1.869 121.883 119.914 0.166 0.000 2.483 30 V HA 0.504 4.624 4.120 -0.000 0.000 0.297 30 V C -0.740 175.506 176.094 0.253 0.000 1.027 30 V CA -0.914 61.514 62.300 0.212 0.000 0.855 30 V CB 1.438 33.327 31.823 0.111 0.000 0.995 30 V HN 0.885 nan 8.190 nan 0.000 0.424 31 A N 3.581 126.588 122.820 0.311 0.000 2.343 31 A HA 0.949 5.269 4.320 -0.000 0.000 0.316 31 A C -0.018 177.794 177.584 0.381 0.000 1.104 31 A CA -0.417 51.806 52.037 0.310 0.000 0.768 31 A CB 1.631 20.851 19.000 0.367 0.000 1.213 31 A HN 0.929 nan 8.150 nan 0.000 0.456 32 T N -0.768 113.970 114.554 0.307 0.000 2.916 32 T HA 0.888 5.238 4.350 -0.000 0.000 0.292 32 T C -0.206 174.652 174.700 0.263 0.000 1.055 32 T CA -0.077 62.213 62.100 0.317 0.000 1.009 32 T CB 1.573 70.615 68.868 0.290 0.000 1.118 32 T HN 1.963 nan 8.240 nan 0.000 0.497 33 S N 1.533 117.382 115.700 0.248 0.000 2.615 33 S HA 0.701 5.171 4.470 -0.000 0.000 0.269 33 S C -0.691 173.995 174.600 0.143 0.000 1.161 33 S CA -0.655 57.678 58.200 0.221 0.000 0.817 33 S CB 1.365 64.730 63.200 0.274 0.000 1.131 33 S HN 1.376 nan 8.310 nan 0.000 0.467 34 N N -0.595 118.170 118.700 0.108 0.000 6.874 34 N HA -0.155 4.584 4.740 -0.000 0.000 0.421 34 N C -0.485 175.052 175.510 0.045 0.000 0.945 34 N CA 1.464 54.551 53.050 0.062 0.000 1.414 34 N CB -1.276 37.240 38.487 0.047 0.000 0.811 34 N HN 1.488 nan 8.380 nan 0.000 0.316 35 T N -2.066 112.498 114.554 0.016 0.000 2.910 35 T HA 0.772 5.122 4.350 -0.000 0.000 0.287 35 T C -2.740 171.950 174.700 -0.016 0.000 1.050 35 T CA -1.241 60.861 62.100 0.004 0.000 1.011 35 T CB 1.590 70.454 68.868 -0.006 0.000 1.195 35 T HN 0.377 nan 8.240 nan 0.000 0.540 36 P HA 0.448 nan 4.420 nan 0.000 0.266 36 P C 0.091 177.335 177.300 -0.094 0.000 1.193 36 P CA 0.288 63.367 63.100 -0.035 0.000 0.770 36 P CB 0.209 31.896 31.700 -0.023 0.000 0.836 37 G N -0.082 108.643 108.800 -0.125 0.000 2.815 37 G HA2 0.148 4.108 3.960 -0.000 0.000 0.305 37 G HA3 0.148 4.108 3.960 -0.000 0.000 0.305 37 G C 0.217 174.976 174.900 -0.234 0.000 1.277 37 G CA -0.297 44.650 45.100 -0.255 0.000 0.795 37 G HN 0.488 nan 8.290 nan 0.000 0.528 38 H N -0.696 118.321 119.070 -0.089 0.000 2.521 38 H HA 0.113 4.669 4.556 -0.000 0.000 0.286 38 H C 0.521 176.007 175.328 0.262 0.000 1.034 38 H CA 1.763 57.857 56.048 0.077 0.000 1.278 38 H CB -0.172 29.663 29.762 0.122 0.000 1.386 38 H HN 0.387 nan 8.280 nan 0.000 0.567 39 F N -2.916 117.136 119.950 0.170 0.000 2.900 39 F HA 0.564 5.091 4.527 -0.000 0.000 0.321 39 F C -1.002 174.841 175.800 0.072 0.000 1.160 39 F CA -1.319 56.746 58.000 0.109 0.000 0.890 39 F CB 0.887 39.881 39.000 -0.010 0.000 1.334 39 F HN -0.360 nan 8.300 nan 0.000 0.459 40 S N -0.044 115.891 115.700 0.393 0.000 2.726 40 S HA 0.985 5.455 4.470 -0.000 0.000 0.308 40 S C -0.938 173.850 174.600 0.314 0.000 1.115 40 S CA -0.336 58.024 58.200 0.267 0.000 0.965 40 S CB 1.722 65.058 63.200 0.226 0.000 1.145 40 S HN 1.139 nan 8.310 nan 0.000 0.532 41 A N 1.058 124.019 122.820 0.234 0.000 2.475 41 A HA 0.908 5.228 4.320 -0.000 0.000 0.301 41 A C -1.305 176.369 177.584 0.150 0.000 1.059 41 A CA -0.822 51.330 52.037 0.193 0.000 0.710 41 A CB 0.918 20.031 19.000 0.187 0.000 1.288 41 A HN 1.040 nan 8.150 nan 0.000 0.408 42 L N -1.058 120.208 121.223 0.072 0.000 2.622 42 L HA 1.035 5.375 4.340 -0.000 0.000 0.258 42 L C -0.337 176.492 176.870 -0.068 0.000 0.996 42 L CA -0.497 54.274 54.840 -0.114 0.000 0.858 42 L CB 1.866 43.809 42.059 -0.193 0.000 1.449 42 L HN 1.405 nan 8.230 nan 0.000 0.411 43 G N 1.176 109.901 108.800 -0.125 0.000 2.673 43 G HA2 0.606 4.566 3.960 -0.000 0.000 0.292 43 G HA3 0.606 4.566 3.960 -0.000 0.000 0.292 43 G C -2.063 172.733 174.900 -0.173 0.000 1.450 43 G CA -0.859 44.168 45.100 -0.122 0.000 0.837 43 G HN 0.633 nan 8.290 nan 0.000 0.505 44 L N 0.697 121.729 121.223 -0.320 0.000 2.313 44 L HA 0.525 4.865 4.340 -0.000 0.000 0.283 44 L C -1.187 175.464 176.870 -0.365 0.000 1.013 44 L CA -0.914 53.832 54.840 -0.157 0.000 0.816 44 L CB 1.758 43.740 42.059 -0.128 0.000 1.236 44 L HN 0.505 nan 8.230 nan 0.000 0.419 45 Y N 3.675 124.019 120.300 0.073 0.000 2.341 45 Y HA 0.552 5.102 4.550 -0.000 0.000 0.338 45 Y C 0.016 175.938 175.900 0.035 0.000 0.965 45 Y CA -0.627 57.511 58.100 0.063 0.000 1.108 45 Y CB 1.575 40.059 38.460 0.040 0.000 1.180 45 Y HN 0.337 nan 8.280 nan 0.000 0.458 46 I N 2.825 123.455 120.570 0.101 0.000 2.404 46 I HA 0.185 4.355 4.170 -0.000 0.000 0.293 46 I C -0.333 175.789 176.117 0.008 0.000 0.992 46 I CA -0.843 60.459 61.300 0.003 0.000 1.149 46 I CB 1.496 39.399 38.000 -0.162 0.000 1.315 46 I HN 0.533 nan 8.210 nan 0.000 0.446 47 D N 6.272 126.658 120.400 -0.024 0.000 2.498 47 D HA 0.453 5.093 4.640 -0.000 0.000 0.229 47 D C -0.342 175.828 176.300 -0.216 0.000 1.188 47 D CA 0.341 54.312 54.000 -0.049 0.000 1.028 47 D CB 0.169 40.927 40.800 -0.070 0.000 1.087 47 D HN 0.648 nan 8.370 nan 0.000 0.510 48 A N 0.984 123.753 122.820 -0.084 0.000 2.524 48 A HA 0.980 5.300 4.320 -0.000 0.000 0.289 48 A C 0.078 177.797 177.584 0.225 0.000 1.248 48 A CA -0.153 51.783 52.037 -0.169 0.000 0.712 48 A CB 1.569 20.475 19.000 -0.157 0.000 1.312 48 A HN 0.609 nan 8.150 nan 0.000 0.441 49 G N -1.815 107.136 108.800 0.251 0.000 2.368 49 G HA2 0.507 4.467 3.960 -0.000 0.000 0.302 49 G HA3 0.507 4.467 3.960 -0.000 0.000 0.302 49 G C 0.622 175.544 174.900 0.038 0.000 1.329 49 G CA 0.639 45.811 45.100 0.119 0.000 0.935 49 G HN 2.000 nan 8.290 nan 0.000 0.590 50 S N -0.266 115.392 115.700 -0.069 0.000 2.400 50 S HA -0.224 4.246 4.470 -0.000 0.000 0.232 50 S C 2.131 176.609 174.600 -0.202 0.000 1.025 50 S CA 1.886 60.025 58.200 -0.102 0.000 0.993 50 S CB -0.389 62.724 63.200 -0.146 0.000 0.808 50 S HN 1.237 nan 8.310 nan 0.000 0.478 51 R N 0.115 120.369 120.500 -0.410 0.000 2.293 51 R HA 0.036 4.376 4.340 -0.000 0.000 0.219 51 R C 0.671 176.602 176.300 -0.614 0.000 1.091 51 R CA 1.187 56.937 56.100 -0.582 0.000 1.004 51 R CB -0.633 29.177 30.300 -0.817 0.000 0.865 51 R HN 0.513 nan 8.270 nan 0.000 0.469 52 F N 0.947 120.812 119.950 -0.142 0.000 2.678 52 F HA 0.312 4.839 4.527 -0.000 0.000 0.305 52 F C 1.250 177.049 175.800 -0.002 0.000 1.090 52 F CA -0.397 57.526 58.000 -0.128 0.000 1.272 52 F CB 0.422 39.154 39.000 -0.445 0.000 1.060 52 F HN 0.026 nan 8.300 nan 0.000 0.576 53 E N 0.433 120.722 120.200 0.148 0.000 2.358 53 E HA 0.154 4.504 4.350 -0.000 0.000 0.195 53 E C 1.894 178.580 176.600 0.144 0.000 1.010 53 E CA 0.446 56.969 56.400 0.205 0.000 0.856 53 E CB -0.157 29.639 29.700 0.159 0.000 0.795 53 E HN 0.373 nan 8.360 nan 0.000 0.504 54 G N 1.645 110.498 108.800 0.088 0.000 2.582 54 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.288 54 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.288 54 G C 0.564 175.488 174.900 0.041 0.000 1.247 54 G CA 0.605 45.744 45.100 0.065 0.000 0.972 54 G HN 0.294 nan 8.290 nan 0.000 0.557 55 R N -0.319 120.203 120.500 0.036 0.000 2.225 55 R HA 0.221 4.561 4.340 -0.000 0.000 0.194 55 R C 2.446 178.741 176.300 -0.008 0.000 0.957 55 R CA 0.676 56.782 56.100 0.010 0.000 1.042 55 R CB -0.136 30.170 30.300 0.009 0.000 1.004 55 R HN 0.559 nan 8.270 nan 0.000 0.509 56 N N 0.436 119.146 118.700 0.018 0.000 2.244 56 N HA -0.044 4.696 4.740 -0.000 0.000 0.183 56 N C 0.567 176.018 175.510 -0.098 0.000 1.016 56 N CA 0.782 53.820 53.050 -0.020 0.000 0.866 56 N CB 0.257 38.804 38.487 0.100 0.000 0.980 56 N HN 0.082 nan 8.380 nan 0.000 0.430 57 L N 0.555 121.802 121.223 0.039 0.000 3.110 57 L HA 0.241 4.581 4.340 -0.000 0.000 0.266 57 L C -0.204 176.709 176.870 0.072 0.000 1.257 57 L CA -0.483 54.418 54.840 0.102 0.000 1.038 57 L CB 0.462 42.728 42.059 0.345 0.000 1.395 57 L HN -0.097 nan 8.230 nan 0.000 0.566 58 K N 1.641 122.041 120.400 -0.000 0.000 2.472 58 K HA 0.212 4.532 4.320 -0.000 0.000 0.280 58 K C 1.214 177.806 176.600 -0.013 0.000 1.028 58 K CA 1.082 57.367 56.287 -0.003 0.000 1.045 58 K CB 0.202 32.688 32.500 -0.023 0.000 0.902 58 K HN 0.333 nan 8.250 nan 0.000 0.478 59 G N 2.826 111.622 108.800 -0.007 0.000 2.179 59 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.260 59 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.260 59 G C 1.311 176.191 174.900 -0.032 0.000 0.977 59 G CA 0.300 45.398 45.100 -0.004 0.000 0.641 59 G HN 0.647 nan 8.290 nan 0.000 0.533 60 C N 0.465 119.718 119.300 -0.079 0.000 2.440 60 C HA 0.072 4.532 4.460 -0.000 0.000 0.278 60 C C 3.040 177.785 174.990 -0.408 0.000 1.295 60 C CA 2.025 60.916 59.018 -0.213 0.000 1.738 60 C CB -1.206 26.411 27.740 -0.204 0.000 1.987 60 C HN 0.659 nan 8.230 nan 0.000 0.492 61 T N -0.538 113.768 114.554 -0.414 0.000 2.684 61 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 61 T C 1.666 176.295 174.700 -0.118 0.000 1.036 61 T CA 2.158 64.063 62.100 -0.325 0.000 1.148 61 T CB -0.495 68.326 68.868 -0.077 0.000 0.863 61 T HN 0.657 nan 8.240 nan 0.000 0.436 62 H N 0.986 119.967 119.070 -0.148 0.000 2.353 62 H HA 0.037 4.592 4.556 -0.000 0.000 0.300 62 H C 2.048 177.319 175.328 -0.095 0.000 1.090 62 H CA 1.129 57.113 56.048 -0.107 0.000 1.327 62 H CB -0.450 29.259 29.762 -0.088 0.000 1.383 62 H HN 0.170 nan 8.280 nan 0.000 0.508 63 I N 0.313 120.784 120.570 -0.165 0.000 2.226 63 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 63 I C 2.450 178.463 176.117 -0.172 0.000 1.100 63 I CA 1.004 62.187 61.300 -0.194 0.000 1.374 63 I CB -1.069 36.869 38.000 -0.104 0.000 1.057 63 I HN 0.332 nan 8.210 nan 0.000 0.413 64 L N 0.901 122.030 121.223 -0.158 0.000 2.083 64 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 64 L C 2.257 179.084 176.870 -0.073 0.000 1.083 64 L CA 1.881 56.660 54.840 -0.101 0.000 0.752 64 L CB -0.739 41.276 42.059 -0.074 0.000 0.899 64 L HN 0.343 nan 8.230 nan 0.000 0.433 65 D N -0.368 119.958 120.400 -0.124 0.000 2.224 65 D HA -0.215 4.425 4.640 -0.000 0.000 0.205 65 D C 2.150 178.364 176.300 -0.143 0.000 0.965 65 D CA 0.915 54.823 54.000 -0.153 0.000 0.852 65 D CB -0.050 40.659 40.800 -0.152 0.000 0.947 65 D HN -0.055 nan 8.370 nan 0.000 0.494 66 R N -0.884 119.491 120.500 -0.208 0.000 2.236 66 R HA 0.209 4.549 4.340 -0.000 0.000 0.208 66 R C 1.359 177.616 176.300 -0.071 0.000 1.036 66 R CA 0.296 56.291 56.100 -0.175 0.000 1.001 66 R CB -0.292 29.831 30.300 -0.295 0.000 0.896 66 R HN 0.197 nan 8.270 nan 0.000 0.464 67 L N -0.273 120.912 121.223 -0.063 0.000 2.567 67 L HA 0.390 4.730 4.340 -0.000 0.000 0.225 67 L C 0.255 177.136 176.870 0.018 0.000 1.119 67 L CA 0.076 54.902 54.840 -0.024 0.000 0.871 67 L CB -0.826 41.204 42.059 -0.048 0.000 1.036 67 L HN 0.031 nan 8.230 nan 0.000 0.459 68 A N -1.024 121.820 122.820 0.040 0.000 2.561 68 A HA 0.137 4.457 4.320 -0.000 0.000 0.234 68 A C 0.354 178.031 177.584 0.154 0.000 1.055 68 A CA 0.012 52.077 52.037 0.046 0.000 0.756 68 A CB -0.724 18.317 19.000 0.069 0.000 0.986 68 A HN 0.366 nan 8.150 nan 0.000 0.505 69 F N -0.918 119.106 119.950 0.123 0.000 3.093 69 F HA -0.213 4.314 4.527 -0.000 0.000 0.287 69 F C 1.046 176.858 175.800 0.021 0.000 0.882 69 F CA 1.435 59.460 58.000 0.042 0.000 1.063 69 F CB -1.677 37.354 39.000 0.052 0.000 1.097 69 F HN 0.594 nan 8.300 nan 0.000 0.604 70 K N 0.183 120.650 120.400 0.111 0.000 2.762 70 K HA 0.611 4.931 4.320 -0.000 0.000 0.292 70 K C 0.854 177.475 176.600 0.035 0.000 1.008 70 K CA 0.106 56.437 56.287 0.072 0.000 1.142 70 K CB -0.003 32.521 32.500 0.039 0.000 1.490 70 K HN 0.118 nan 8.250 nan 0.000 0.581 71 S N 0.237 115.945 115.700 0.014 0.000 2.573 71 S HA 0.197 4.667 4.470 -0.000 0.000 0.277 71 S C 0.400 174.986 174.600 -0.023 0.000 1.346 71 S CA -0.289 57.909 58.200 -0.003 0.000 1.034 71 S CB 0.135 63.330 63.200 -0.009 0.000 0.879 71 S HN 0.597 nan 8.310 nan 0.000 0.528 72 T N -1.267 113.267 114.554 -0.033 0.000 2.831 72 T HA 0.510 4.860 4.350 -0.000 0.000 0.287 72 T C 0.560 175.188 174.700 -0.121 0.000 1.070 72 T CA -0.883 61.185 62.100 -0.054 0.000 1.010 72 T CB 1.051 69.904 68.868 -0.024 0.000 1.264 72 T HN 0.427 nan 8.240 nan 0.000 0.532 73 E N 0.400 120.459 120.200 -0.235 0.000 2.160 73 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 73 E C 1.276 177.586 176.600 -0.483 0.000 0.991 73 E CA 1.736 57.871 56.400 -0.443 0.000 0.810 73 E CB -0.315 28.932 29.700 -0.756 0.000 0.742 73 E HN 0.835 nan 8.360 nan 0.000 0.466 74 H N -1.804 117.192 119.070 -0.123 0.000 2.672 74 H HA 0.302 4.858 4.556 -0.000 0.000 0.277 74 H C -0.466 174.826 175.328 -0.059 0.000 1.074 74 H CA -0.319 55.661 56.048 -0.112 0.000 1.173 74 H CB 1.076 30.748 29.762 -0.151 0.000 1.558 74 H HN -0.199 nan 8.280 nan 0.000 0.539 75 V N 1.565 121.493 119.914 0.023 0.000 2.612 75 V HA 0.102 4.222 4.120 -0.000 0.000 0.301 75 V C -0.231 175.864 176.094 0.001 0.000 1.059 75 V CA -1.081 61.231 62.300 0.020 0.000 0.886 75 V CB 2.271 34.109 31.823 0.025 0.000 1.007 75 V HN 0.178 nan 8.190 nan 0.000 0.426 76 E N 2.279 122.481 120.200 0.002 0.000 2.422 76 E HA 0.157 4.507 4.350 -0.000 0.000 0.260 76 E C 1.378 177.982 176.600 0.006 0.000 1.108 76 E CA 0.747 57.147 56.400 -0.000 0.000 0.943 76 E CB 1.330 31.031 29.700 0.001 0.000 0.961 76 E HN 0.803 nan 8.360 nan 0.000 0.443 77 G N 2.232 111.037 108.800 0.008 0.000 2.446 77 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.217 77 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.217 77 G C 1.499 176.411 174.900 0.020 0.000 1.168 77 G CA 1.049 46.160 45.100 0.018 0.000 0.771 77 G HN 0.505 nan 8.290 nan 0.000 0.551 78 R N 0.563 121.072 120.500 0.014 0.000 2.081 78 R HA 0.057 4.397 4.340 -0.000 0.000 0.235 78 R C 2.821 179.126 176.300 0.008 0.000 1.131 78 R CA 1.503 57.611 56.100 0.013 0.000 0.960 78 R CB -0.389 29.917 30.300 0.010 0.000 0.856 78 R HN 0.282 nan 8.270 nan 0.000 0.436 79 A N 0.972 123.796 122.820 0.006 0.000 1.877 79 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 79 A C 2.106 179.687 177.584 -0.005 0.000 1.186 79 A CA 1.570 53.607 52.037 0.001 0.000 0.620 79 A CB -0.565 18.437 19.000 0.002 0.000 0.822 79 A HN 0.469 nan 8.150 nan 0.000 0.443 80 M N 0.557 120.157 119.600 0.001 0.000 2.073 80 M HA -0.135 4.345 4.480 -0.000 0.000 0.258 80 M C 2.171 178.450 176.300 -0.034 0.000 1.070 80 M CA 2.132 57.428 55.300 -0.005 0.000 1.103 80 M CB -0.792 31.827 32.600 0.030 0.000 1.321 80 M HN 0.380 nan 8.290 nan 0.000 0.405 81 A N -0.513 122.304 122.820 -0.006 0.000 1.883 81 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 81 A C 2.083 179.658 177.584 -0.016 0.000 1.186 81 A CA 2.244 54.280 52.037 -0.002 0.000 0.624 81 A CB -1.070 17.949 19.000 0.032 0.000 0.822 81 A HN 0.718 nan 8.150 nan 0.000 0.444 82 E N -1.112 119.083 120.200 -0.009 0.000 2.072 82 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 82 E C 2.078 178.666 176.600 -0.020 0.000 0.985 82 E CA 1.543 57.939 56.400 -0.006 0.000 0.801 82 E CB -0.241 29.459 29.700 -0.001 0.000 0.750 82 E HN 0.619 nan 8.360 nan 0.000 0.452 83 T N 1.300 115.833 114.554 -0.035 0.000 2.821 83 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 83 T C 1.892 176.545 174.700 -0.079 0.000 1.046 83 T CA 0.647 62.721 62.100 -0.044 0.000 1.139 83 T CB -0.084 68.757 68.868 -0.045 0.000 0.871 83 T HN 0.081 nan 8.240 nan 0.000 0.454 84 L N 0.629 121.765 121.223 -0.146 0.000 2.093 84 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 84 L C 2.723 179.549 176.870 -0.074 0.000 1.085 84 L CA 1.303 55.989 54.840 -0.257 0.000 0.755 84 L CB -0.491 41.207 42.059 -0.601 0.000 0.904 84 L HN 0.335 nan 8.230 nan 0.000 0.435 85 E N 0.249 120.442 120.200 -0.011 0.000 2.031 85 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 85 E C 2.264 178.881 176.600 0.029 0.000 0.994 85 E CA 1.081 57.501 56.400 0.034 0.000 0.800 85 E CB -0.197 29.520 29.700 0.028 0.000 0.752 85 E HN 0.454 nan 8.360 nan 0.000 0.447 86 L N 0.820 122.052 121.223 0.015 0.000 2.353 86 L HA -0.152 4.188 4.340 -0.000 0.000 0.220 86 L C 2.086 178.985 176.870 0.049 0.000 1.133 86 L CA 0.555 55.412 54.840 0.027 0.000 0.798 86 L CB -0.206 41.862 42.059 0.015 0.000 0.922 86 L HN 0.161 nan 8.230 nan 0.000 0.445 87 L N -0.873 120.369 121.223 0.032 0.000 2.591 87 L HA 0.142 4.482 4.340 -0.000 0.000 0.228 87 L C 1.496 178.411 176.870 0.075 0.000 1.133 87 L CA 0.635 55.509 54.840 0.056 0.000 0.880 87 L CB -0.025 42.030 42.059 -0.006 0.000 1.033 87 L HN 0.462 nan 8.230 nan 0.000 0.450 88 G N -1.141 107.702 108.800 0.073 0.000 2.284 88 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.201 88 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.201 88 G C 0.925 175.840 174.900 0.026 0.000 0.998 88 G CA -0.261 44.871 45.100 0.052 0.000 0.651 88 G HN 0.456 nan 8.290 nan 0.000 0.489 89 G N -0.221 108.628 108.800 0.081 0.000 2.168 89 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 89 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 89 G C 0.134 175.057 174.900 0.039 0.000 0.997 89 G CA 1.044 46.238 45.100 0.156 0.000 0.708 89 G HN 1.459 nan 8.290 nan 0.000 0.520 90 N N 0.323 119.042 118.700 0.032 0.000 3.234 90 N HA 0.532 5.272 4.740 -0.000 0.000 0.272 90 N C -0.333 175.169 175.510 -0.013 0.000 1.254 90 N CA -0.531 52.472 53.050 -0.079 0.000 1.087 90 N CB -0.139 38.267 38.487 -0.135 0.000 1.356 90 N HN 0.646 nan 8.380 nan 0.000 0.511 91 Y N -0.942 119.260 120.300 -0.164 0.000 2.615 91 Y HA 0.652 5.202 4.550 -0.000 0.000 0.341 91 Y C -1.100 174.720 175.900 -0.133 0.000 1.089 91 Y CA -1.250 56.743 58.100 -0.177 0.000 1.049 91 Y CB 0.956 39.195 38.460 -0.368 0.000 1.296 91 Y HN 0.246 nan 8.280 nan 0.000 0.470 92 Q N 0.847 120.656 119.800 0.014 0.000 2.647 92 Q HA 0.578 4.918 4.340 -0.000 0.000 0.283 92 Q C -2.212 173.879 176.000 0.151 0.000 0.943 92 Q CA -0.904 54.899 55.803 -0.000 0.000 0.813 92 Q CB 1.868 30.544 28.738 -0.104 0.000 1.477 92 Q HN 1.106 nan 8.270 nan 0.000 0.393 93 C N 2.070 121.412 119.300 0.070 0.000 2.369 93 C HA 0.957 5.417 4.460 -0.000 0.000 0.322 93 C C -0.461 174.427 174.990 -0.170 0.000 1.258 93 C CA 0.710 59.615 59.018 -0.187 0.000 1.487 93 C CB 0.845 28.368 27.740 -0.361 0.000 2.165 93 C HN 0.889 nan 8.230 nan 0.000 0.483 94 T N 2.344 116.784 114.554 -0.191 0.000 2.864 94 T HA 0.903 5.253 4.350 -0.000 0.000 0.299 94 T C -0.601 174.035 174.700 -0.105 0.000 1.166 94 T CA -0.334 61.704 62.100 -0.104 0.000 1.007 94 T CB 1.610 70.447 68.868 -0.051 0.000 1.219 94 T HN 1.317 nan 8.240 nan 0.000 0.506 95 S N -0.101 115.572 115.700 -0.045 0.000 2.579 95 S HA 0.875 5.345 4.470 -0.000 0.000 0.272 95 S C -0.361 174.228 174.600 -0.019 0.000 1.141 95 S CA -0.516 57.668 58.200 -0.027 0.000 0.843 95 S CB 1.750 64.939 63.200 -0.017 0.000 1.122 95 S HN 1.110 nan 8.310 nan 0.000 0.468 96 S N -0.451 115.238 115.700 -0.019 0.000 3.952 96 S HA 0.489 4.959 4.470 -0.000 0.000 0.293 96 S C 0.661 175.214 174.600 -0.079 0.000 1.090 96 S CA -0.677 57.495 58.200 -0.048 0.000 1.264 96 S CB 0.419 63.612 63.200 -0.012 0.000 1.393 96 S HN 0.731 nan 8.310 nan 0.000 0.757 97 R N 0.559 120.991 120.500 -0.114 0.000 2.093 97 R HA 0.236 4.576 4.340 -0.000 0.000 0.224 97 R C 0.796 176.969 176.300 -0.212 0.000 1.101 97 R CA 1.031 56.997 56.100 -0.223 0.000 0.979 97 R CB -0.062 30.012 30.300 -0.377 0.000 0.877 97 R HN 0.547 nan 8.270 nan 0.000 0.441 98 E N 0.459 120.619 120.200 -0.067 0.000 2.660 98 E HA 0.078 4.428 4.350 -0.000 0.000 0.216 98 E C -0.644 176.024 176.600 0.112 0.000 0.986 98 E CA -0.218 56.194 56.400 0.020 0.000 1.037 98 E CB 0.565 30.313 29.700 0.079 0.000 1.041 98 E HN 0.312 nan 8.360 nan 0.000 0.480 99 N N 0.758 119.507 118.700 0.082 0.000 2.416 99 N HA 0.394 5.134 4.740 -0.000 0.000 0.276 99 N C -1.459 174.084 175.510 0.055 0.000 1.261 99 N CA -0.768 52.337 53.050 0.091 0.000 0.790 99 N CB 2.475 41.022 38.487 0.100 0.000 1.554 99 N HN -0.058 nan 8.380 nan 0.000 0.481 100 L N 0.831 122.079 121.223 0.041 0.000 2.596 100 L HA 0.534 4.874 4.340 -0.000 0.000 0.265 100 L C -1.458 175.372 176.870 -0.066 0.000 0.962 100 L CA -0.303 54.521 54.840 -0.026 0.000 0.891 100 L CB 1.263 43.329 42.059 0.013 0.000 1.248 100 L HN 0.808 nan 8.230 nan 0.000 0.410 101 M N 2.896 122.383 119.600 -0.188 0.000 2.501 101 M HA 0.587 5.067 4.480 -0.000 0.000 0.293 101 M C -1.856 174.204 176.300 -0.401 0.000 1.192 101 M CA -0.686 54.445 55.300 -0.281 0.000 0.886 101 M CB 2.401 34.853 32.600 -0.247 0.000 1.710 101 M HN 0.426 nan 8.290 nan 0.000 0.457 102 Y N 1.262 121.377 120.300 -0.309 0.000 2.345 102 Y HA 0.537 5.087 4.550 -0.000 0.000 0.331 102 Y C -0.446 175.371 175.900 -0.139 0.000 0.959 102 Y CA -0.381 57.656 58.100 -0.106 0.000 1.204 102 Y CB 1.599 39.999 38.460 -0.100 0.000 1.135 102 Y HN 0.659 nan 8.280 nan 0.000 0.477 103 Q N 2.047 121.905 119.800 0.096 0.000 2.451 103 Q HA 0.972 5.312 4.340 -0.000 0.000 0.281 103 Q C -1.283 174.789 176.000 0.119 0.000 1.099 103 Q CA -1.523 54.320 55.803 0.066 0.000 0.806 103 Q CB 3.212 31.980 28.738 0.050 0.000 1.419 103 Q HN 0.704 nan 8.270 nan 0.000 0.427 104 A N 0.746 123.621 122.820 0.093 0.000 2.597 104 A HA 0.668 4.988 4.320 -0.000 0.000 0.292 104 A C -1.393 176.227 177.584 0.061 0.000 1.057 104 A CA -0.634 51.449 52.037 0.077 0.000 0.674 104 A CB 1.552 20.607 19.000 0.092 0.000 1.278 104 A HN 0.681 nan 8.150 nan 0.000 0.416 105 S N 0.046 115.752 115.700 0.011 0.000 2.482 105 S HA 0.887 5.357 4.470 -0.000 0.000 0.303 105 S C -0.216 174.309 174.600 -0.126 0.000 1.091 105 S CA 0.025 58.231 58.200 0.010 0.000 1.057 105 S CB 1.086 64.284 63.200 -0.002 0.000 1.031 105 S HN 2.286 nan 8.310 nan 0.000 0.485 106 V N -0.716 119.148 119.914 -0.085 0.000 3.206 106 V HA 0.753 4.873 4.120 -0.000 0.000 0.305 106 V C -0.968 175.037 176.094 -0.148 0.000 1.257 106 V CA -1.454 60.737 62.300 -0.182 0.000 1.057 106 V CB 0.604 32.424 31.823 -0.004 0.000 1.075 106 V HN 0.775 nan 8.190 nan 0.000 0.443 107 F N 1.940 121.946 119.950 0.094 0.000 2.506 107 F HA 0.376 4.903 4.527 -0.000 0.000 0.351 107 F C 1.989 177.880 175.800 0.151 0.000 1.136 107 F CA 0.032 58.117 58.000 0.143 0.000 1.298 107 F CB 0.201 39.256 39.000 0.091 0.000 1.145 107 F HN 0.582 nan 8.300 nan 0.000 0.593 108 N N 1.315 120.224 118.700 0.347 0.000 2.132 108 N HA -0.218 4.522 4.740 -0.000 0.000 0.191 108 N C 1.785 177.406 175.510 0.184 0.000 1.015 108 N CA 1.447 54.635 53.050 0.229 0.000 0.864 108 N CB -0.314 38.286 38.487 0.188 0.000 1.006 108 N HN 0.670 nan 8.380 nan 0.000 0.430 109 Q N 0.403 120.315 119.800 0.186 0.000 2.435 109 Q HA -0.038 4.302 4.340 -0.000 0.000 0.207 109 Q C -0.157 175.923 176.000 0.135 0.000 0.956 109 Q CA 1.019 56.902 55.803 0.133 0.000 0.917 109 Q CB 0.058 28.858 28.738 0.103 0.000 0.997 109 Q HN 0.205 nan 8.270 nan 0.000 0.497 110 D N 0.678 121.179 120.400 0.168 0.000 2.340 110 D HA 0.095 4.735 4.640 -0.000 0.000 0.217 110 D C 1.644 178.023 176.300 0.131 0.000 1.081 110 D CA -0.018 54.067 54.000 0.142 0.000 0.842 110 D CB 0.629 41.526 40.800 0.161 0.000 0.934 110 D HN 0.026 nan 8.370 nan 0.000 0.511 111 V N 0.936 120.943 119.914 0.155 0.000 2.287 111 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 111 V C 2.613 178.816 176.094 0.182 0.000 1.053 111 V CA 2.237 64.649 62.300 0.186 0.000 1.027 111 V CB -0.881 31.075 31.823 0.223 0.000 0.646 111 V HN 0.278 nan 8.190 nan 0.000 0.447 112 G N -0.286 108.616 108.800 0.170 0.000 2.446 112 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.217 112 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.217 112 G C 1.603 176.566 174.900 0.106 0.000 1.168 112 G CA 1.298 46.523 45.100 0.208 0.000 0.771 112 G HN 0.457 nan 8.290 nan 0.000 0.551 113 K N -0.107 120.333 120.400 0.067 0.000 2.057 113 K HA -0.010 4.310 4.320 -0.000 0.000 0.207 113 K C 2.376 178.938 176.600 -0.062 0.000 1.049 113 K CA 1.492 57.775 56.287 -0.008 0.000 0.931 113 K CB -0.427 32.084 32.500 0.018 0.000 0.714 113 K HN 0.264 nan 8.250 nan 0.000 0.440 114 M N 0.029 119.623 119.600 -0.010 0.000 2.159 114 M HA -0.026 4.454 4.480 -0.000 0.000 0.263 114 M C 1.706 177.987 176.300 -0.031 0.000 1.063 114 M CA 1.265 56.554 55.300 -0.020 0.000 1.110 114 M CB -0.442 32.171 32.600 0.021 0.000 1.374 114 M HN 0.256 nan 8.290 nan 0.000 0.411 115 L N 0.081 121.299 121.223 -0.008 0.000 2.131 115 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 115 L C 2.321 179.031 176.870 -0.267 0.000 1.092 115 L CA 1.988 56.816 54.840 -0.020 0.000 0.759 115 L CB -1.012 41.158 42.059 0.184 0.000 0.903 115 L HN 0.608 nan 8.230 nan 0.000 0.435 116 Q N -0.709 118.761 119.800 -0.550 0.000 2.016 116 Q HA -0.195 4.145 4.340 -0.000 0.000 0.200 116 Q C 2.244 178.036 176.000 -0.348 0.000 0.978 116 Q CA 2.040 57.316 55.803 -0.877 0.000 0.833 116 Q CB -0.205 27.997 28.738 -0.893 0.000 0.895 116 Q HN 0.605 nan 8.270 nan 0.000 0.427 117 L N 0.038 121.148 121.223 -0.188 0.000 2.012 117 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 117 L C 2.718 179.566 176.870 -0.035 0.000 1.073 117 L CA 1.288 56.094 54.840 -0.056 0.000 0.748 117 L CB -0.476 41.578 42.059 -0.008 0.000 0.891 117 L HN 0.401 nan 8.230 nan 0.000 0.431 118 M N -0.173 119.413 119.600 -0.024 0.000 2.080 118 M HA -0.207 4.273 4.480 -0.000 0.000 0.260 118 M C 2.591 178.695 176.300 -0.326 0.000 1.068 118 M CA 2.350 57.571 55.300 -0.131 0.000 1.109 118 M CB -0.462 32.099 32.600 -0.065 0.000 1.342 118 M HN 0.395 nan 8.290 nan 0.000 0.405 119 S N -0.454 115.091 115.700 -0.258 0.000 2.447 119 S HA -0.090 4.380 4.470 -0.000 0.000 0.233 119 S C 1.685 176.107 174.600 -0.297 0.000 1.006 119 S CA 0.799 58.813 58.200 -0.310 0.000 0.957 119 S CB -0.373 62.723 63.200 -0.174 0.000 0.773 119 S HN 0.387 nan 8.310 nan 0.000 0.507 120 E N 1.273 121.382 120.200 -0.152 0.000 2.028 120 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 120 E C 2.221 178.735 176.600 -0.143 0.000 0.988 120 E CA 1.509 57.912 56.400 0.005 0.000 0.799 120 E CB -0.904 28.827 29.700 0.051 0.000 0.755 120 E HN 0.583 nan 8.360 nan 0.000 0.447 121 T N 0.241 114.639 114.554 -0.260 0.000 2.995 121 T HA -0.038 4.312 4.350 -0.000 0.000 0.269 121 T C 1.794 176.246 174.700 -0.412 0.000 1.091 121 T CA 0.574 62.475 62.100 -0.331 0.000 1.128 121 T CB 0.089 68.656 68.868 -0.502 0.000 0.891 121 T HN -0.097 nan 8.240 nan 0.000 0.492 122 V N 0.453 120.047 119.914 -0.533 0.000 2.725 122 V HA 0.160 4.280 4.120 -0.000 0.000 0.247 122 V C 2.535 178.339 176.094 -0.483 0.000 1.058 122 V CA 1.254 63.265 62.300 -0.482 0.000 1.080 122 V CB -0.237 31.208 31.823 -0.629 0.000 0.713 122 V HN 0.340 nan 8.190 nan 0.000 0.465 123 R N -1.482 118.581 120.500 -0.729 0.000 2.195 123 R HA 0.201 4.541 4.340 -0.000 0.000 0.197 123 R C 0.386 176.076 176.300 -1.017 0.000 0.990 123 R CA 0.530 55.977 56.100 -1.088 0.000 1.048 123 R CB 0.345 29.610 30.300 -1.725 0.000 0.997 123 R HN 0.456 nan 8.270 nan 0.000 0.502 124 F N 1.457 121.259 119.950 -0.247 0.000 2.749 124 F HA 0.323 4.850 4.527 -0.000 0.000 0.380 124 F C -2.264 173.409 175.800 -0.211 0.000 1.365 124 F CA -2.743 55.124 58.000 -0.223 0.000 1.186 124 F CB 0.614 39.446 39.000 -0.280 0.000 1.080 124 F HN -0.209 nan 8.300 nan 0.000 0.513 125 P HA 0.075 nan 4.420 nan 0.000 0.271 125 P C 0.378 177.639 177.300 -0.064 0.000 1.218 125 P CA 0.022 63.066 63.100 -0.093 0.000 0.780 125 P CB 1.774 33.388 31.700 -0.144 0.000 0.901 126 K N 1.738 122.106 120.400 -0.053 0.000 2.128 126 K HA 0.143 4.463 4.320 -0.000 0.000 0.202 126 K C 0.643 177.218 176.600 -0.041 0.000 1.050 126 K CA 0.144 56.404 56.287 -0.045 0.000 0.966 126 K CB -0.291 32.185 32.500 -0.040 0.000 0.759 126 K HN 0.447 nan 8.250 nan 0.000 0.454 127 I N 3.154 123.699 120.570 -0.041 0.000 7.474 127 I HA -0.262 3.908 4.170 -0.000 0.000 0.126 127 I C 0.253 176.357 176.117 -0.022 0.000 1.805 127 I CA 0.177 61.456 61.300 -0.035 0.000 2.128 127 I CB -1.790 36.183 38.000 -0.045 0.000 3.592 127 I HN 0.342 nan 8.210 nan 0.000 0.196 128 T N -0.822 113.722 114.554 -0.017 0.000 2.828 128 T HA 0.277 4.627 4.350 -0.000 0.000 0.290 128 T C 1.252 175.948 174.700 -0.006 0.000 1.019 128 T CA -0.190 61.904 62.100 -0.011 0.000 1.031 128 T CB 1.558 70.421 68.868 -0.009 0.000 1.001 128 T HN 0.487 nan 8.240 nan 0.000 0.531 129 E N 0.130 120.329 120.200 -0.002 0.000 2.058 129 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 129 E C 2.222 178.822 176.600 0.000 0.000 0.997 129 E CA 1.208 57.608 56.400 0.001 0.000 0.801 129 E CB -0.136 29.565 29.700 0.003 0.000 0.746 129 E HN 0.735 nan 8.360 nan 0.000 0.450 130 Q N 0.719 120.519 119.800 -0.000 0.000 2.096 130 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 130 Q C 1.927 177.928 176.000 0.000 0.000 0.982 130 Q CA 1.477 57.281 55.803 0.001 0.000 0.850 130 Q CB 0.073 28.812 28.738 0.003 0.000 0.901 130 Q HN 0.339 nan 8.270 nan 0.000 0.422 131 E N 0.077 120.276 120.200 -0.002 0.000 2.106 131 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 131 E C 1.960 178.554 176.600 -0.009 0.000 0.984 131 E CA 0.854 57.252 56.400 -0.003 0.000 0.806 131 E CB -0.059 29.639 29.700 -0.004 0.000 0.750 131 E HN 0.204 nan 8.360 nan 0.000 0.458 132 L N 1.171 122.388 121.223 -0.010 0.000 2.056 132 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 132 L C 2.329 179.193 176.870 -0.011 0.000 1.078 132 L CA 1.767 56.600 54.840 -0.012 0.000 0.749 132 L CB -0.464 41.592 42.059 -0.004 0.000 0.901 132 L HN -0.011 nan 8.230 nan 0.000 0.433 133 Q N 0.184 119.980 119.800 -0.006 0.000 2.084 133 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 133 Q C 2.124 178.116 176.000 -0.013 0.000 0.978 133 Q CA 2.075 57.873 55.803 -0.008 0.000 0.844 133 Q CB -0.204 28.531 28.738 -0.004 0.000 0.898 133 Q HN 0.656 nan 8.270 nan 0.000 0.426 134 E N -0.779 119.417 120.200 -0.007 0.000 2.031 134 E HA -0.205 4.144 4.350 -0.000 0.000 0.193 134 E C 2.017 178.610 176.600 -0.011 0.000 0.994 134 E CA 1.198 57.597 56.400 -0.002 0.000 0.800 134 E CB 0.022 29.725 29.700 0.006 0.000 0.752 134 E HN 0.333 nan 8.360 nan 0.000 0.447 135 Q N 0.636 120.424 119.800 -0.020 0.000 2.170 135 Q HA -0.129 4.211 4.340 -0.000 0.000 0.203 135 Q C 1.856 177.832 176.000 -0.040 0.000 0.976 135 Q CA 1.214 56.995 55.803 -0.036 0.000 0.858 135 Q CB -0.095 28.608 28.738 -0.058 0.000 0.907 135 Q HN 0.207 nan 8.270 nan 0.000 0.433 136 K N 0.143 120.521 120.400 -0.037 0.000 2.031 136 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 136 K C 2.044 178.601 176.600 -0.071 0.000 1.049 136 K CA 0.763 57.026 56.287 -0.040 0.000 0.939 136 K CB -0.272 32.210 32.500 -0.030 0.000 0.717 136 K HN 0.056 nan 8.250 nan 0.000 0.438 137 L N 1.116 122.290 121.223 -0.082 0.000 2.012 137 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 137 L C 2.278 179.023 176.870 -0.209 0.000 1.073 137 L CA 2.102 56.848 54.840 -0.157 0.000 0.748 137 L CB -1.086 40.917 42.059 -0.093 0.000 0.891 137 L HN 0.129 nan 8.230 nan 0.000 0.431 138 S N -0.715 114.947 115.700 -0.065 0.000 2.399 138 S HA -0.122 4.348 4.470 -0.000 0.000 0.231 138 S C 2.120 176.737 174.600 0.028 0.000 1.022 138 S CA 1.121 59.336 58.200 0.024 0.000 0.983 138 S CB -0.545 62.685 63.200 0.050 0.000 0.803 138 S HN 0.684 nan 8.310 nan 0.000 0.480 139 A N 1.071 123.891 122.820 -0.001 0.000 1.969 139 A HA -0.028 4.291 4.320 -0.000 0.000 0.218 139 A C 2.031 179.635 177.584 0.032 0.000 1.169 139 A CA 1.390 53.460 52.037 0.055 0.000 0.635 139 A CB -0.589 18.447 19.000 0.061 0.000 0.810 139 A HN 0.719 nan 8.150 nan 0.000 0.445 140 E N -1.071 119.087 120.200 -0.070 0.000 2.051 140 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 140 E C 1.794 178.394 176.600 -0.001 0.000 0.991 140 E CA 1.456 57.800 56.400 -0.092 0.000 0.799 140 E CB -0.336 29.216 29.700 -0.246 0.000 0.748 140 E HN 0.757 nan 8.360 nan 0.000 0.449 141 Y N 1.253 121.582 120.300 0.047 0.000 2.224 141 Y HA -0.159 4.391 4.550 -0.000 0.000 0.289 141 Y C 2.301 178.230 175.900 0.048 0.000 1.146 141 Y CA 0.925 59.051 58.100 0.043 0.000 1.182 141 Y CB -0.584 37.895 38.460 0.031 0.000 0.983 141 Y HN 0.123 nan 8.280 nan 0.000 0.524 142 E N 0.033 120.352 120.200 0.200 0.000 2.051 142 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 142 E C 1.991 178.646 176.600 0.092 0.000 0.991 142 E CA 1.427 57.903 56.400 0.127 0.000 0.799 142 E CB -0.197 29.578 29.700 0.125 0.000 0.748 142 E HN 0.279 nan 8.360 nan 0.000 0.449 143 I N 2.130 122.761 120.570 0.102 0.000 2.208 143 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 143 I C 1.886 178.146 176.117 0.238 0.000 1.097 143 I CA 1.373 62.747 61.300 0.123 0.000 1.363 143 I CB -0.484 37.614 38.000 0.164 0.000 1.051 143 I HN 0.099 nan 8.210 nan 0.000 0.413 144 D N 0.345 120.880 120.400 0.225 0.000 2.123 144 D HA -0.197 4.443 4.640 -0.000 0.000 0.196 144 D C 2.176 178.597 176.300 0.201 0.000 0.992 144 D CA 1.239 55.379 54.000 0.234 0.000 0.833 144 D CB -0.189 40.733 40.800 0.204 0.000 0.954 144 D HN 0.468 nan 8.370 nan 0.000 0.455 145 E N 0.026 120.310 120.200 0.140 0.000 2.072 145 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 145 E C 2.298 178.928 176.600 0.050 0.000 0.982 145 E CA 0.356 56.807 56.400 0.085 0.000 0.803 145 E CB 0.142 29.873 29.700 0.052 0.000 0.755 145 E HN 0.034 nan 8.360 nan 0.000 0.453 146 V N 0.264 120.176 119.914 -0.004 0.000 2.392 146 V HA -0.236 3.884 4.120 -0.000 0.000 0.249 146 V C 1.394 177.394 176.094 -0.157 0.000 1.059 146 V CA 1.578 63.798 62.300 -0.133 0.000 1.051 146 V CB -0.497 31.167 31.823 -0.266 0.000 0.658 146 V HN 0.440 nan 8.190 nan 0.000 0.455 147 W N -0.926 120.366 121.300 -0.013 0.000 3.096 147 W HA 0.084 4.744 4.660 0.000 0.000 0.241 147 W C 2.020 178.542 176.519 0.005 0.000 1.316 147 W CA 0.391 57.729 57.345 -0.012 0.000 1.520 147 W CB -0.295 29.161 29.460 -0.007 0.000 1.128 147 W HN 0.250 nan 8.180 nan 0.000 0.707 148 M N -0.845 118.859 119.600 0.173 0.000 2.337 148 M HA 0.098 4.578 4.480 -0.000 0.000 0.256 148 M C 0.201 176.555 176.300 0.090 0.000 1.075 148 M CA 0.561 55.952 55.300 0.153 0.000 1.024 148 M CB 0.370 33.052 32.600 0.136 0.000 1.429 148 M HN -0.350 nan 8.290 nan 0.000 0.497 149 K N 1.071 121.484 120.400 0.021 0.000 2.292 149 K HA 0.253 4.573 4.320 -0.000 0.000 0.270 149 K C -2.136 174.424 176.600 -0.068 0.000 1.062 149 K CA -1.623 54.651 56.287 -0.021 0.000 0.916 149 K CB 1.153 33.623 32.500 -0.050 0.000 1.166 149 K HN -0.214 nan 8.250 nan 0.000 0.458 150 P HA -0.218 nan 4.420 nan 0.000 0.217 150 P C 0.224 177.421 177.300 -0.172 0.000 1.148 150 P CA 1.282 64.265 63.100 -0.195 0.000 0.828 150 P CB 0.297 31.776 31.700 -0.369 0.000 0.783 151 E N -1.042 119.094 120.200 -0.107 0.000 2.338 151 E HA -0.081 4.269 4.350 -0.000 0.000 0.197 151 E C 1.717 178.257 176.600 -0.099 0.000 1.007 151 E CA 0.826 57.180 56.400 -0.077 0.000 0.849 151 E CB -0.870 28.807 29.700 -0.038 0.000 0.774 151 E HN 0.303 nan 8.360 nan 0.000 0.506 152 L N -0.601 120.541 121.223 -0.135 0.000 2.362 152 L HA 0.071 4.411 4.340 -0.000 0.000 0.204 152 L C 2.030 178.756 176.870 -0.239 0.000 1.060 152 L CA 0.123 54.854 54.840 -0.182 0.000 0.827 152 L CB -0.110 41.823 42.059 -0.210 0.000 1.027 152 L HN 0.018 nan 8.230 nan 0.000 0.474 153 V N 0.310 120.079 119.914 -0.242 0.000 2.270 153 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 153 V C 2.537 178.533 176.094 -0.164 0.000 1.043 153 V CA 1.285 63.428 62.300 -0.262 0.000 1.014 153 V CB -0.398 31.344 31.823 -0.135 0.000 0.645 153 V HN 0.262 nan 8.190 nan 0.000 0.447 154 L N -0.121 121.022 121.223 -0.134 0.000 2.013 154 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 154 L C 0.339 177.139 176.870 -0.116 0.000 1.073 154 L CA 2.638 57.414 54.840 -0.106 0.000 0.753 154 L CB -2.763 39.234 42.059 -0.103 0.000 0.890 154 L HN 0.352 nan 8.230 nan 0.000 0.432 155 P HA -0.169 nan 4.420 nan 0.000 0.218 155 P C 1.497 178.772 177.300 -0.041 0.000 1.149 155 P CA 1.130 64.166 63.100 -0.108 0.000 0.817 155 P CB 0.159 31.809 31.700 -0.083 0.000 0.785 156 E N 0.116 120.240 120.200 -0.126 0.000 2.051 156 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 156 E C 1.864 178.433 176.600 -0.052 0.000 0.991 156 E CA 1.220 57.536 56.400 -0.141 0.000 0.799 156 E CB -1.224 28.313 29.700 -0.271 0.000 0.748 156 E HN 0.094 nan 8.360 nan 0.000 0.449 157 L N 0.166 121.361 121.223 -0.048 0.000 2.079 157 L HA -0.152 4.187 4.340 -0.000 0.000 0.210 157 L C 2.565 179.410 176.870 -0.041 0.000 1.081 157 L CA 0.915 55.745 54.840 -0.017 0.000 0.752 157 L CB -0.648 41.404 42.059 -0.011 0.000 0.896 157 L HN 0.273 nan 8.230 nan 0.000 0.433 158 L N -0.308 120.872 121.223 -0.072 0.000 1.971 158 L HA -0.278 4.062 4.340 -0.000 0.000 0.215 158 L C 2.499 179.297 176.870 -0.119 0.000 1.072 158 L CA 2.056 56.819 54.840 -0.129 0.000 0.758 158 L CB -0.635 41.283 42.059 -0.236 0.000 0.889 158 L HN 0.183 nan 8.230 nan 0.000 0.433 159 H N -1.170 117.838 119.070 -0.104 0.000 2.353 159 H HA -0.126 4.430 4.556 -0.000 0.000 0.300 159 H C 2.154 177.496 175.328 0.024 0.000 1.090 159 H CA 2.031 58.074 56.048 -0.008 0.000 1.327 159 H CB -0.697 29.009 29.762 -0.094 0.000 1.383 159 H HN 0.372 nan 8.280 nan 0.000 0.508 160 T N -0.008 114.598 114.554 0.087 0.000 2.720 160 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 160 T C 2.278 176.974 174.700 -0.007 0.000 1.037 160 T CA 1.346 63.468 62.100 0.038 0.000 1.144 160 T CB -0.457 68.421 68.868 0.017 0.000 0.864 160 T HN 0.514 nan 8.240 nan 0.000 0.444 161 A N 1.002 123.789 122.820 -0.054 0.000 1.970 161 A HA 0.398 4.718 4.320 -0.000 0.000 0.216 161 A C 2.585 180.032 177.584 -0.227 0.000 1.170 161 A CA 1.359 53.325 52.037 -0.118 0.000 0.645 161 A CB -0.831 18.097 19.000 -0.120 0.000 0.816 161 A HN 0.479 nan 8.150 nan 0.000 0.447 162 A N -1.587 121.070 122.820 -0.271 0.000 1.972 162 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 162 A C 1.505 178.539 177.584 -0.917 0.000 1.169 162 A CA 1.375 53.034 52.037 -0.629 0.000 0.635 162 A CB -0.524 18.171 19.000 -0.507 0.000 0.810 162 A HN 0.613 nan 8.150 nan 0.000 0.446 163 Y N -1.218 118.946 120.300 -0.227 0.000 2.682 163 Y HA 0.288 4.838 4.550 -0.000 0.000 0.251 163 Y C 0.968 176.790 175.900 -0.131 0.000 1.172 163 Y CA 0.050 58.048 58.100 -0.170 0.000 1.186 163 Y CB 0.126 38.527 38.460 -0.098 0.000 1.216 163 Y HN 0.178 nan 8.280 nan 0.000 0.540 164 S N 0.469 116.140 115.700 -0.050 0.000 3.614 164 S HA -0.204 4.266 4.470 -0.000 0.000 0.360 164 S C 1.553 176.153 174.600 -0.000 0.000 1.023 164 S CA 0.993 59.172 58.200 -0.036 0.000 1.114 164 S CB -1.641 61.532 63.200 -0.045 0.000 0.907 164 S HN 1.204 nan 8.310 nan 0.000 0.470 165 G N -0.551 108.258 108.800 0.015 0.000 2.155 165 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.257 165 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.257 165 G C -0.257 174.639 174.900 -0.007 0.000 0.983 165 G CA 0.698 45.801 45.100 0.004 0.000 0.676 165 G HN 0.627 nan 8.290 nan 0.000 0.528 166 E N -0.154 120.049 120.200 0.005 0.000 2.244 166 E HA 0.572 4.922 4.350 -0.000 0.000 0.266 166 E C 1.427 177.971 176.600 -0.095 0.000 0.914 166 E CA 0.284 56.669 56.400 -0.025 0.000 0.794 166 E CB 1.530 31.232 29.700 0.004 0.000 1.210 166 E HN 0.835 nan 8.360 nan 0.000 0.414 167 T N -0.580 113.884 114.554 -0.150 0.000 12.930 167 T HA -0.382 3.968 4.350 -0.000 0.000 0.400 167 T C 1.573 176.023 174.700 -0.417 0.000 1.463 167 T CA 1.841 63.770 62.100 -0.284 0.000 2.252 167 T CB -1.239 67.461 68.868 -0.281 0.000 2.673 167 T HN 0.480 nan 8.240 nan 0.000 0.523 168 L N 2.076 122.917 121.223 -0.637 0.000 2.450 168 L HA 0.184 4.524 4.340 -0.000 0.000 0.224 168 L C 2.794 179.384 176.870 -0.466 0.000 1.149 168 L CA 1.340 55.709 54.840 -0.786 0.000 0.816 168 L CB -0.737 40.557 42.059 -1.274 0.000 0.932 168 L HN 0.865 nan 8.230 nan 0.000 0.449 169 G N -1.767 106.878 108.800 -0.258 0.000 3.159 169 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.232 169 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.232 169 G C 0.528 175.393 174.900 -0.058 0.000 1.116 169 G CA -0.109 44.989 45.100 -0.005 0.000 0.767 169 G HN 0.157 nan 8.290 nan 0.000 0.547 170 S N 1.648 117.274 115.700 -0.124 0.000 2.533 170 S HA 0.361 4.831 4.470 -0.000 0.000 0.282 170 S C -2.318 172.217 174.600 -0.108 0.000 1.304 170 S CA -1.101 57.041 58.200 -0.097 0.000 1.063 170 S CB 0.790 63.923 63.200 -0.112 0.000 0.881 170 S HN -0.019 nan 8.310 nan 0.000 0.493 171 P HA -0.049 nan 4.420 nan 0.000 0.259 171 P C 0.402 177.627 177.300 -0.125 0.000 1.163 171 P CA 0.019 63.072 63.100 -0.079 0.000 0.760 171 P CB 0.339 32.026 31.700 -0.021 0.000 0.762 172 L N 5.236 126.350 121.223 -0.181 0.000 2.270 172 L HA 0.189 4.529 4.340 -0.000 0.000 0.210 172 L C 0.613 177.348 176.870 -0.226 0.000 1.104 172 L CA 1.138 55.849 54.840 -0.216 0.000 0.804 172 L CB -0.163 41.731 42.059 -0.275 0.000 0.937 172 L HN 0.247 nan 8.230 nan 0.000 0.450 173 I N 0.216 120.653 120.570 -0.221 0.000 2.315 173 I HA 0.103 4.273 4.170 -0.000 0.000 0.291 173 I C -0.083 175.982 176.117 -0.087 0.000 1.006 173 I CA -0.625 60.535 61.300 -0.233 0.000 1.265 173 I CB 0.933 38.707 38.000 -0.376 0.000 1.387 173 I HN 0.010 nan 8.210 nan 0.000 0.475 174 C N 9.109 128.370 119.300 -0.065 0.000 2.629 174 C HA 0.251 4.711 4.460 -0.000 0.000 0.410 174 C C -1.887 173.150 174.990 0.078 0.000 1.339 174 C CA -1.186 57.835 59.018 0.005 0.000 1.810 174 C CB -0.283 27.462 27.740 0.009 0.000 2.549 174 C HN 0.506 nan 8.230 nan 0.000 0.589 175 P HA 0.056 nan 4.420 nan 0.000 0.262 175 P C 0.729 178.068 177.300 0.064 0.000 1.182 175 P CA 0.408 63.561 63.100 0.089 0.000 0.761 175 P CB 0.302 32.026 31.700 0.040 0.000 0.795 176 R N 3.361 123.904 120.500 0.071 0.000 2.096 176 R HA -0.154 4.186 4.340 -0.000 0.000 0.240 176 R C 2.155 178.461 176.300 0.009 0.000 1.139 176 R CA 2.166 58.291 56.100 0.043 0.000 0.952 176 R CB -1.043 29.273 30.300 0.028 0.000 0.854 176 R HN 0.684 nan 8.270 nan 0.000 0.436 177 G N 0.120 108.917 108.800 -0.005 0.000 2.535 177 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.218 177 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.218 177 G C 1.254 176.148 174.900 -0.010 0.000 1.122 177 G CA 0.239 45.331 45.100 -0.012 0.000 0.769 177 G HN 0.257 nan 8.290 nan 0.000 0.549 178 L N -0.229 120.990 121.223 -0.006 0.000 2.529 178 L HA 0.292 4.632 4.340 -0.000 0.000 0.223 178 L C 2.465 179.329 176.870 -0.010 0.000 1.113 178 L CA -0.109 54.723 54.840 -0.014 0.000 0.861 178 L CB -0.037 42.010 42.059 -0.019 0.000 1.012 178 L HN 0.170 nan 8.230 nan 0.000 0.461 179 I N 1.017 121.586 120.570 -0.001 0.000 2.226 179 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 179 I C -0.394 175.723 176.117 0.000 0.000 1.100 179 I CA 1.355 62.656 61.300 0.001 0.000 1.374 179 I CB -1.018 36.983 38.000 0.002 0.000 1.057 179 I HN 0.214 nan 8.210 nan 0.000 0.413 180 P HA -0.100 nan 4.420 nan 0.000 0.226 180 P C 1.254 178.567 177.300 0.022 0.000 1.153 180 P CA 1.161 64.262 63.100 0.002 0.000 0.777 180 P CB -0.077 31.620 31.700 -0.005 0.000 0.794 181 S N -1.720 113.994 115.700 0.024 0.000 2.577 181 S HA 0.151 4.621 4.470 -0.000 0.000 0.219 181 S C 0.628 175.284 174.600 0.093 0.000 0.962 181 S CA -0.345 57.888 58.200 0.054 0.000 0.921 181 S CB -0.995 62.225 63.200 0.033 0.000 0.789 181 S HN 0.006 nan 8.310 nan 0.000 0.497 182 I N 3.974 124.585 120.570 0.069 0.000 2.347 182 I HA 0.165 4.335 4.170 -0.000 0.000 0.294 182 I C 0.587 176.794 176.117 0.151 0.000 1.090 182 I CA -0.291 61.070 61.300 0.102 0.000 1.314 182 I CB 0.447 38.472 38.000 0.043 0.000 1.423 182 I HN 0.365 nan 8.210 nan 0.000 0.503 183 S N 5.052 120.918 115.700 0.276 0.000 2.722 183 S HA 0.328 4.798 4.470 -0.000 0.000 0.292 183 S C 0.926 175.625 174.600 0.165 0.000 1.135 183 S CA -0.879 57.445 58.200 0.206 0.000 1.003 183 S CB 2.089 65.425 63.200 0.226 0.000 1.067 183 S HN 0.654 nan 8.310 nan 0.000 0.546 184 K N -0.302 120.158 120.400 0.100 0.000 2.097 184 K HA -0.186 4.133 4.320 -0.000 0.000 0.206 184 K C 1.893 178.523 176.600 0.049 0.000 1.049 184 K CA 1.443 57.764 56.287 0.057 0.000 0.933 184 K CB -0.499 32.021 32.500 0.033 0.000 0.717 184 K HN 0.751 nan 8.250 nan 0.000 0.442 185 Y N 0.075 120.340 120.300 -0.059 0.000 2.165 185 Y HA -0.296 4.254 4.550 -0.000 0.000 0.286 185 Y C 1.508 177.323 175.900 -0.141 0.000 1.155 185 Y CA 1.813 59.826 58.100 -0.145 0.000 1.164 185 Y CB -0.287 38.010 38.460 -0.272 0.000 0.978 185 Y HN 0.093 nan 8.280 nan 0.000 0.513 186 Y N -0.156 120.194 120.300 0.084 0.000 2.314 186 Y HA -0.133 4.417 4.550 -0.000 0.000 0.293 186 Y C 2.275 178.174 175.900 -0.003 0.000 1.129 186 Y CA 1.276 59.390 58.100 0.024 0.000 1.201 186 Y CB -0.524 38.027 38.460 0.152 0.000 0.999 186 Y HN 0.137 nan 8.280 nan 0.000 0.541 187 L N -0.943 120.356 121.223 0.127 0.000 2.093 187 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 187 L C 2.117 178.996 176.870 0.015 0.000 1.085 187 L CA 1.106 55.980 54.840 0.056 0.000 0.755 187 L CB -0.592 41.465 42.059 -0.003 0.000 0.904 187 L HN 0.244 nan 8.230 nan 0.000 0.435 188 L N -0.503 120.675 121.223 -0.075 0.000 2.109 188 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 188 L C 2.175 178.964 176.870 -0.135 0.000 1.086 188 L CA 1.198 55.966 54.840 -0.120 0.000 0.760 188 L CB -0.476 41.489 42.059 -0.156 0.000 0.910 188 L HN 0.284 nan 8.230 nan 0.000 0.437 189 D N -0.613 119.649 120.400 -0.229 0.000 2.117 189 D HA -0.279 4.361 4.640 -0.000 0.000 0.197 189 D C 2.083 178.386 176.300 0.007 0.000 0.987 189 D CA 1.212 55.096 54.000 -0.193 0.000 0.829 189 D CB -0.030 40.617 40.800 -0.255 0.000 0.961 189 D HN 0.264 nan 8.370 nan 0.000 0.460 190 Y N 1.197 121.512 120.300 0.025 0.000 2.163 190 Y HA -0.065 4.485 4.550 -0.000 0.000 0.288 190 Y C 2.191 178.215 175.900 0.207 0.000 1.136 190 Y CA 1.661 59.878 58.100 0.194 0.000 1.147 190 Y CB -0.104 38.510 38.460 0.257 0.000 0.987 190 Y HN -0.115 nan 8.280 nan 0.000 0.509 191 R N -0.147 120.555 120.500 0.337 0.000 2.096 191 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 191 R C 1.649 178.013 176.300 0.106 0.000 1.127 191 R CA 1.399 57.595 56.100 0.159 0.000 0.968 191 R CB -0.468 29.712 30.300 -0.200 0.000 0.861 191 R HN 0.365 nan 8.270 nan 0.000 0.440 192 N N 0.752 119.444 118.700 -0.014 0.000 2.512 192 N HA -0.081 4.658 4.740 -0.000 0.000 0.183 192 N C 1.129 176.533 175.510 -0.177 0.000 1.073 192 N CA 1.044 54.052 53.050 -0.071 0.000 0.911 192 N CB 0.146 38.578 38.487 -0.092 0.000 0.964 192 N HN 0.303 nan 8.380 nan 0.000 0.447 193 K N -0.982 119.223 120.400 -0.324 0.000 2.202 193 K HA 0.164 4.484 4.320 -0.000 0.000 0.201 193 K C 0.726 176.807 176.600 -0.865 0.000 1.051 193 K CA 0.633 56.494 56.287 -0.709 0.000 0.977 193 K CB 0.216 32.024 32.500 -1.153 0.000 0.792 193 K HN 0.044 nan 8.250 nan 0.000 0.469 194 F N -1.326 118.553 119.950 -0.118 0.000 2.712 194 F HA 0.171 4.698 4.527 -0.000 0.000 0.297 194 F C 0.257 176.055 175.800 -0.003 0.000 1.114 194 F CA -0.431 57.486 58.000 -0.140 0.000 1.305 194 F CB 0.177 39.002 39.000 -0.292 0.000 1.086 194 F HN -0.154 nan 8.300 nan 0.000 0.599 195 Y N 2.330 122.722 120.300 0.153 0.000 2.623 195 Y HA 0.308 4.858 4.550 -0.000 0.000 0.341 195 Y C 0.803 176.798 175.900 0.158 0.000 1.292 195 Y CA -0.943 57.309 58.100 0.253 0.000 1.840 195 Y CB -0.749 37.886 38.460 0.291 0.000 1.865 195 Y HN -0.090 nan 8.280 nan 0.000 0.440 196 T N -1.622 112.873 114.554 -0.098 0.000 2.893 196 T HA 0.337 4.687 4.350 -0.000 0.000 0.291 196 T C -2.025 172.083 174.700 -0.987 0.000 1.028 196 T CA -2.601 59.136 62.100 -0.605 0.000 0.995 196 T CB 2.709 71.321 68.868 -0.427 0.000 1.051 196 T HN 0.043 nan 8.240 nan 0.000 0.470 197 P HA -0.165 nan 4.420 nan 0.000 0.218 197 P C 1.165 178.220 177.300 -0.408 0.000 1.148 197 P CA 1.237 63.745 63.100 -0.986 0.000 0.822 197 P CB 0.161 31.395 31.700 -0.778 0.000 0.784 198 E N -0.320 119.658 120.200 -0.369 0.000 2.427 198 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 198 E C 0.979 177.490 176.600 -0.149 0.000 1.028 198 E CA 0.672 56.951 56.400 -0.202 0.000 0.864 198 E CB -0.898 28.694 29.700 -0.181 0.000 0.813 198 E HN 0.179 nan 8.360 nan 0.000 0.514 199 N N 0.261 118.854 118.700 -0.179 0.000 2.214 199 N HA 0.065 4.805 4.740 -0.000 0.000 0.214 199 N C -1.103 174.376 175.510 -0.052 0.000 1.132 199 N CA 0.075 53.060 53.050 -0.107 0.000 0.856 199 N CB 0.745 39.164 38.487 -0.113 0.000 1.020 199 N HN -0.049 nan 8.380 nan 0.000 0.509 200 T N -0.812 113.723 114.554 -0.031 0.000 2.907 200 T HA 0.561 4.911 4.350 -0.000 0.000 0.292 200 T C -0.952 173.817 174.700 0.116 0.000 1.043 200 T CA -0.549 61.595 62.100 0.073 0.000 1.003 200 T CB 2.445 71.414 68.868 0.169 0.000 1.084 200 T HN -0.310 nan 8.240 nan 0.000 0.483 201 V N 1.555 121.577 119.914 0.179 0.000 2.638 201 V HA 0.784 4.904 4.120 -0.000 0.000 0.306 201 V C -0.494 175.759 176.094 0.265 0.000 1.052 201 V CA -0.911 61.507 62.300 0.198 0.000 0.885 201 V CB 1.790 33.709 31.823 0.159 0.000 0.999 201 V HN 1.119 nan 8.190 nan 0.000 0.424 202 A N 3.795 126.752 122.820 0.230 0.000 2.287 202 A HA 0.955 5.275 4.320 -0.000 0.000 0.317 202 A C -0.100 177.583 177.584 0.164 0.000 1.220 202 A CA -0.131 52.012 52.037 0.178 0.000 0.835 202 A CB 1.154 20.306 19.000 0.253 0.000 1.180 202 A HN 1.362 nan 8.150 nan 0.000 0.500 203 A N 1.859 124.666 122.820 -0.021 0.000 2.380 203 A HA 0.951 5.271 4.320 -0.000 0.000 0.315 203 A C -1.226 176.166 177.584 -0.319 0.000 1.101 203 A CA -0.445 51.617 52.037 0.042 0.000 0.771 203 A CB 0.850 19.891 19.000 0.068 0.000 1.287 203 A HN 0.805 nan 8.150 nan 0.000 0.436 204 F N 0.135 120.187 119.950 0.169 0.000 2.591 204 F HA 0.571 5.098 4.527 -0.000 0.000 0.309 204 F C -0.323 175.557 175.800 0.133 0.000 1.098 204 F CA -0.873 57.216 58.000 0.147 0.000 0.937 204 F CB 2.317 41.387 39.000 0.117 0.000 1.250 204 F HN 0.292 nan 8.300 nan 0.000 0.447 205 V N 1.553 121.637 119.914 0.285 0.000 2.448 205 V HA 0.662 4.782 4.120 -0.000 0.000 0.295 205 V C 0.411 176.600 176.094 0.158 0.000 1.025 205 V CA -0.298 62.115 62.300 0.190 0.000 0.859 205 V CB 1.112 33.013 31.823 0.130 0.000 0.988 205 V HN 1.073 nan 8.190 nan 0.000 0.431 206 G N 4.246 113.117 108.800 0.118 0.000 2.137 206 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.237 206 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.237 206 G C -0.228 174.726 174.900 0.090 0.000 1.002 206 G CA 0.159 45.302 45.100 0.072 0.000 0.702 206 G HN 0.812 nan 8.290 nan 0.000 0.515 207 V N 0.838 120.820 119.914 0.113 0.000 2.531 207 V HA 0.503 4.623 4.120 -0.000 0.000 0.301 207 V C -1.920 174.181 176.094 0.012 0.000 1.034 207 V CA -1.776 60.559 62.300 0.060 0.000 0.865 207 V CB 2.189 34.046 31.823 0.057 0.000 0.995 207 V HN 0.115 nan 8.190 nan 0.000 0.424 208 P HA 0.057 nan 4.420 nan 0.000 0.266 208 P C 0.597 177.879 177.300 -0.031 0.000 1.195 208 P CA 0.204 63.303 63.100 -0.002 0.000 0.768 208 P CB 0.487 32.181 31.700 -0.009 0.000 0.838 209 H N 1.881 120.901 119.070 -0.082 0.000 2.387 209 H HA -0.197 4.359 4.556 -0.000 0.000 0.299 209 H C 1.713 176.973 175.328 -0.114 0.000 1.099 209 H CA 1.994 57.979 56.048 -0.104 0.000 1.315 209 H CB 0.122 29.831 29.762 -0.089 0.000 1.380 209 H HN 0.419 nan 8.280 nan 0.000 0.513 210 E N 0.192 120.370 120.200 -0.036 0.000 2.051 210 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 210 E C 2.160 178.677 176.600 -0.139 0.000 0.991 210 E CA 1.297 57.652 56.400 -0.075 0.000 0.799 210 E CB -0.055 29.629 29.700 -0.027 0.000 0.748 210 E HN 0.221 nan 8.360 nan 0.000 0.449 211 K N 0.176 120.494 120.400 -0.137 0.000 2.057 211 K HA -0.018 4.302 4.320 -0.000 0.000 0.207 211 K C 1.823 178.267 176.600 -0.260 0.000 1.049 211 K CA 1.488 57.684 56.287 -0.151 0.000 0.931 211 K CB -0.660 31.773 32.500 -0.112 0.000 0.714 211 K HN 0.144 nan 8.250 nan 0.000 0.440 212 A N 0.689 123.251 122.820 -0.429 0.000 1.883 212 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 212 A C 2.245 179.567 177.584 -0.437 0.000 1.186 212 A CA 1.718 53.311 52.037 -0.740 0.000 0.624 212 A CB -0.775 17.639 19.000 -0.978 0.000 0.822 212 A HN 0.328 nan 8.150 nan 0.000 0.444 213 L N -0.904 120.096 121.223 -0.372 0.000 2.083 213 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 213 L C 2.623 179.412 176.870 -0.136 0.000 1.083 213 L CA 1.620 56.323 54.840 -0.228 0.000 0.752 213 L CB -0.568 41.361 42.059 -0.216 0.000 0.899 213 L HN 0.511 nan 8.230 nan 0.000 0.433 214 E N 0.190 120.306 120.200 -0.140 0.000 2.007 214 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 214 E C 2.313 178.853 176.600 -0.100 0.000 0.999 214 E CA 1.264 57.602 56.400 -0.104 0.000 0.811 214 E CB -0.186 29.457 29.700 -0.094 0.000 0.762 214 E HN 0.378 nan 8.360 nan 0.000 0.450 215 L N 0.654 121.827 121.223 -0.083 0.000 2.012 215 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 215 L C 2.658 179.584 176.870 0.095 0.000 1.073 215 L CA 1.351 56.196 54.840 0.008 0.000 0.748 215 L CB -0.752 41.369 42.059 0.104 0.000 0.891 215 L HN 0.227 nan 8.230 nan 0.000 0.431 216 T N -0.302 114.308 114.554 0.093 0.000 2.708 216 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 216 T C 1.819 176.583 174.700 0.106 0.000 1.037 216 T CA 1.479 63.684 62.100 0.174 0.000 1.146 216 T CB -0.598 68.367 68.868 0.161 0.000 0.865 216 T HN 0.581 nan 8.240 nan 0.000 0.435 217 G N 1.167 109.982 108.800 0.024 0.000 2.422 217 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 217 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 217 G C 1.481 176.357 174.900 -0.041 0.000 1.146 217 G CA 1.030 46.134 45.100 0.007 0.000 0.769 217 G HN 0.478 nan 8.290 nan 0.000 0.547 218 K N -0.883 119.426 120.400 -0.152 0.000 2.097 218 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 218 K C 1.752 178.129 176.600 -0.372 0.000 1.050 218 K CA 1.105 57.183 56.287 -0.348 0.000 0.938 218 K CB -0.149 31.972 32.500 -0.632 0.000 0.718 218 K HN 0.434 nan 8.250 nan 0.000 0.442 219 Y N -1.254 119.080 120.300 0.057 0.000 2.498 219 Y HA 0.154 4.704 4.550 -0.000 0.000 0.259 219 Y C 1.121 177.051 175.900 0.050 0.000 1.086 219 Y CA -0.149 57.986 58.100 0.057 0.000 1.287 219 Y CB 0.785 39.274 38.460 0.050 0.000 1.146 219 Y HN -0.021 nan 8.280 nan 0.000 0.523 220 L N -1.608 119.743 121.223 0.212 0.000 3.039 220 L HA 0.387 4.727 4.340 -0.000 0.000 0.269 220 L C 2.139 179.161 176.870 0.252 0.000 1.169 220 L CA 0.611 55.581 54.840 0.215 0.000 0.986 220 L CB -0.875 41.336 42.059 0.254 0.000 1.377 220 L HN 0.201 nan 8.230 nan 0.000 0.575 221 G N 1.030 109.928 108.800 0.163 0.000 2.469 221 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 221 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 221 G C 1.009 175.994 174.900 0.142 0.000 1.150 221 G CA 1.207 46.383 45.100 0.126 0.000 0.763 221 G HN 0.559 nan 8.290 nan 0.000 0.561 222 D N -1.540 118.954 120.400 0.158 0.000 2.328 222 D HA -0.032 4.608 4.640 -0.000 0.000 0.226 222 D C 0.433 176.878 176.300 0.241 0.000 1.066 222 D CA -0.723 53.373 54.000 0.159 0.000 0.861 222 D CB -0.327 40.553 40.800 0.133 0.000 0.912 222 D HN 0.240 nan 8.370 nan 0.000 0.521 223 W N 2.731 124.051 121.300 0.033 0.000 2.223 223 W HA 0.201 4.861 4.660 -0.000 0.000 0.334 223 W C -0.226 176.287 176.519 -0.011 0.000 1.334 223 W CA -0.505 56.840 57.345 0.000 0.000 1.246 223 W CB 0.308 29.751 29.460 -0.028 0.000 1.184 223 W HN -0.065 nan 8.180 nan 0.000 0.563 224 Q N 3.719 123.595 119.800 0.127 0.000 2.377 224 Q HA 0.311 4.651 4.340 -0.000 0.000 0.271 224 Q C -0.429 175.400 176.000 -0.285 0.000 1.077 224 Q CA -0.951 54.798 55.803 -0.090 0.000 0.820 224 Q CB 2.235 30.984 28.738 0.019 0.000 1.347 224 Q HN 0.441 nan 8.270 nan 0.000 0.444 225 S N -0.052 115.413 115.700 -0.392 0.000 2.592 225 S HA 0.096 4.566 4.470 -0.000 0.000 0.271 225 S C 0.950 175.299 174.600 -0.419 0.000 1.326 225 S CA -0.035 57.846 58.200 -0.532 0.000 1.024 225 S CB 0.621 63.360 63.200 -0.769 0.000 0.921 225 S HN 0.729 nan 8.310 nan 0.000 0.527 226 T N 0.585 114.951 114.554 -0.312 0.000 3.107 226 T HA 0.177 4.527 4.350 -0.000 0.000 0.249 226 T C 0.252 174.902 174.700 -0.083 0.000 1.096 226 T CA 0.103 62.118 62.100 -0.141 0.000 1.012 226 T CB -0.547 68.265 68.868 -0.094 0.000 0.977 226 T HN 0.853 nan 8.240 nan 0.000 0.527 227 H N 1.968 120.974 119.070 -0.107 0.000 2.672 227 H HA -0.074 4.482 4.556 -0.000 0.000 0.325 227 H C -2.159 173.107 175.328 -0.103 0.000 1.158 227 H CA 0.598 56.587 56.048 -0.099 0.000 1.134 227 H CB -1.710 28.008 29.762 -0.073 0.000 1.553 227 H HN 0.530 nan 8.280 nan 0.000 0.419 228 P HA 0.226 nan 4.420 nan 0.000 0.274 228 P C -2.346 174.894 177.300 -0.101 0.000 1.246 228 P CA -1.266 61.765 63.100 -0.116 0.000 0.795 228 P CB 0.412 31.980 31.700 -0.221 0.000 1.006 229 P HA 0.181 nan 4.420 nan 0.000 0.268 229 P C -0.426 176.818 177.300 -0.093 0.000 1.204 229 P CA 0.043 63.102 63.100 -0.067 0.000 0.768 229 P CB -0.012 31.659 31.700 -0.049 0.000 0.842 230 I N 2.572 123.107 120.570 -0.058 0.000 2.452 230 I HA 0.102 4.272 4.170 -0.000 0.000 0.287 230 I C 1.132 177.241 176.117 -0.013 0.000 1.079 230 I CA 0.726 61.996 61.300 -0.050 0.000 1.387 230 I CB -0.046 37.941 38.000 -0.021 0.000 1.404 230 I HN 0.350 nan 8.210 nan 0.000 0.522 231 T N 2.088 116.645 114.554 0.006 0.000 3.448 231 T HA 0.346 4.696 4.350 -0.000 0.000 0.271 231 T C 0.211 175.017 174.700 0.176 0.000 1.002 231 T CA -0.791 61.357 62.100 0.080 0.000 0.995 231 T CB -0.529 68.387 68.868 0.081 0.000 1.153 231 T HN 0.392 nan 8.240 nan 0.000 0.510 232 K N 2.327 122.823 120.400 0.161 0.000 2.354 232 K HA 0.345 4.665 4.320 -0.000 0.000 0.257 232 K C -0.316 176.389 176.600 0.175 0.000 1.062 232 K CA -0.532 55.908 56.287 0.254 0.000 0.971 232 K CB 1.182 33.825 32.500 0.239 0.000 1.305 232 K HN 0.332 nan 8.250 nan 0.000 0.449 233 K N 1.602 122.090 120.400 0.148 0.000 2.218 233 K HA 0.144 4.464 4.320 -0.000 0.000 0.276 233 K C 0.407 177.042 176.600 0.058 0.000 1.022 233 K CA -0.757 55.580 56.287 0.084 0.000 0.946 233 K CB 0.858 33.393 32.500 0.058 0.000 1.000 233 K HN 0.264 nan 8.250 nan 0.000 0.468 234 V N -0.124 119.824 119.914 0.056 0.000 2.811 234 V HA 0.358 4.478 4.120 -0.000 0.000 0.302 234 V C 0.351 176.465 176.094 0.034 0.000 1.063 234 V CA -0.968 61.362 62.300 0.050 0.000 1.088 234 V CB 0.769 32.632 31.823 0.066 0.000 0.982 234 V HN 0.814 nan 8.190 nan 0.000 0.485 235 A N 4.065 126.896 122.820 0.019 0.000 2.450 235 A HA 0.426 4.746 4.320 -0.000 0.000 0.255 235 A C 0.275 177.971 177.584 0.186 0.000 1.096 235 A CA -0.332 51.718 52.037 0.021 0.000 0.778 235 A CB -0.112 18.826 19.000 -0.103 0.000 1.031 235 A HN 0.946 nan 8.150 nan 0.000 0.494 236 Q N 1.884 121.831 119.800 0.246 0.000 2.425 236 Q HA 0.217 4.557 4.340 -0.000 0.000 0.254 236 Q C -1.383 174.797 176.000 0.301 0.000 1.032 236 Q CA -0.363 55.583 55.803 0.239 0.000 0.798 236 Q CB 1.592 30.410 28.738 0.135 0.000 1.210 236 Q HN 0.753 nan 8.270 nan 0.000 0.491 237 Y N 2.351 122.729 120.300 0.129 0.000 2.526 237 Y HA -0.052 4.498 4.550 -0.000 0.000 0.330 237 Y C 1.103 176.925 175.900 -0.129 0.000 1.156 237 Y CA 1.276 59.260 58.100 -0.194 0.000 1.419 237 Y CB 0.821 39.168 38.460 -0.188 0.000 1.250 237 Y HN 0.665 nan 8.280 nan 0.000 0.540 238 T N 1.650 115.762 114.554 -0.737 0.000 2.964 238 T HA 0.510 4.860 4.350 -0.000 0.000 0.250 238 T C 0.858 175.237 174.700 -0.535 0.000 0.982 238 T CA 0.308 62.157 62.100 -0.418 0.000 0.959 238 T CB -0.472 68.239 68.868 -0.260 0.000 1.141 238 T HN 1.473 nan 8.240 nan 0.000 0.494 239 G N -0.032 108.150 108.800 -1.030 0.000 2.829 239 G HA2 0.407 4.367 3.960 -0.000 0.000 0.628 239 G HA3 0.407 4.367 3.960 -0.000 0.000 0.628 239 G C 0.005 174.697 174.900 -0.347 0.000 1.412 239 G CA -0.522 44.213 45.100 -0.608 0.000 0.864 239 G HN 1.896 nan 8.290 nan 0.000 0.544 240 G N -1.077 107.587 108.800 -0.226 0.000 2.337 240 G HA2 0.593 4.553 3.960 -0.000 0.000 0.298 240 G HA3 0.593 4.553 3.960 -0.000 0.000 0.298 240 G C -1.218 173.603 174.900 -0.133 0.000 1.335 240 G CA 0.312 45.318 45.100 -0.158 0.000 0.875 240 G HN 0.973 nan 8.290 nan 0.000 0.579 241 E N -0.930 119.208 120.200 -0.103 0.000 2.312 241 E HA 0.754 5.104 4.350 -0.000 0.000 0.267 241 E C -1.087 175.460 176.600 -0.088 0.000 0.894 241 E CA -0.792 55.550 56.400 -0.097 0.000 0.773 241 E CB 2.340 31.994 29.700 -0.078 0.000 1.241 241 E HN 0.539 nan 8.360 nan 0.000 0.432 242 S N 0.634 116.275 115.700 -0.097 0.000 2.558 242 S HA 0.428 4.898 4.470 -0.000 0.000 0.277 242 S C -2.061 172.481 174.600 -0.098 0.000 1.143 242 S CA -0.560 57.592 58.200 -0.080 0.000 0.865 242 S CB 1.412 64.574 63.200 -0.063 0.000 1.102 242 S HN 0.590 nan 8.310 nan 0.000 0.454 243 C N 5.422 124.677 119.300 -0.076 0.000 2.642 243 C HA 0.786 5.246 4.460 -0.000 0.000 0.344 243 C C -1.010 173.947 174.990 -0.053 0.000 1.110 243 C CA -0.698 58.271 59.018 -0.082 0.000 1.298 243 C CB -0.485 27.210 27.740 -0.075 0.000 1.827 243 C HN 0.850 nan 8.230 nan 0.000 0.467 244 I N 3.356 123.898 120.570 -0.047 0.000 2.648 244 I HA 0.726 4.896 4.170 -0.000 0.000 0.304 244 I C -2.593 173.490 176.117 -0.057 0.000 1.009 244 I CA -2.553 58.725 61.300 -0.037 0.000 1.114 244 I CB 1.315 39.316 38.000 0.002 0.000 1.293 244 I HN 0.313 nan 8.210 nan 0.000 0.449 245 P HA 0.176 nan 4.420 nan 0.000 0.269 245 P C -2.523 174.727 177.300 -0.083 0.000 1.217 245 P CA -0.555 62.500 63.100 -0.075 0.000 0.783 245 P CB -0.369 31.299 31.700 -0.053 0.000 0.898 246 P HA 0.064 nan 4.420 nan 0.000 0.269 246 P C -0.434 176.865 177.300 -0.001 0.000 1.209 246 P CA 0.283 63.330 63.100 -0.088 0.000 0.776 246 P CB 0.246 31.930 31.700 -0.025 0.000 0.876 247 A N 4.603 127.454 122.820 0.052 0.000 2.406 247 A HA 0.404 4.724 4.320 -0.000 0.000 0.243 247 A C -2.002 175.529 177.584 -0.089 0.000 1.082 247 A CA -0.882 51.173 52.037 0.028 0.000 0.786 247 A CB -1.419 17.646 19.000 0.108 0.000 1.029 247 A HN 0.428 nan 8.150 nan 0.000 0.495 248 P HA 0.301 nan 4.420 nan 0.000 0.275 248 P C -0.589 176.291 177.300 -0.700 0.000 1.227 248 P CA -0.277 62.616 63.100 -0.345 0.000 0.781 248 P CB 0.728 32.260 31.700 -0.280 0.000 0.906 249 V N 1.019 120.661 119.914 -0.453 0.000 2.405 249 V HA 0.229 4.349 4.120 -0.000 0.000 0.264 249 V C 0.396 176.263 176.094 -0.379 0.000 1.048 249 V CA -0.082 61.988 62.300 -0.383 0.000 0.966 249 V CB -1.169 30.571 31.823 -0.138 0.000 1.015 249 V HN 0.281 nan 8.190 nan 0.000 0.477 250 F N 4.375 124.348 119.950 0.039 0.000 2.190 250 F HA 0.588 5.115 4.527 -0.000 0.000 0.269 250 F C 2.029 177.841 175.800 0.020 0.000 1.338 250 F CA 1.206 59.222 58.000 0.028 0.000 1.081 250 F CB -1.029 37.988 39.000 0.028 0.000 1.089 250 F HN 0.620 nan 8.300 nan 0.000 0.549 251 G N -0.175 108.795 108.800 0.284 0.000 3.226 251 G HA2 0.022 3.982 3.960 -0.000 0.000 0.190 251 G HA3 0.022 3.982 3.960 -0.000 0.000 0.190 251 G C 0.610 175.570 174.900 0.101 0.000 1.988 251 G CA 0.181 45.364 45.100 0.139 0.000 0.859 251 G HN 0.469 nan 8.290 nan 0.000 0.631 252 N N 0.107 118.852 118.700 0.076 0.000 2.494 252 N HA 0.059 4.799 4.740 -0.000 0.000 0.182 252 N C 0.889 176.439 175.510 0.067 0.000 1.076 252 N CA -0.020 53.062 53.050 0.053 0.000 0.908 252 N CB -0.292 38.213 38.487 0.030 0.000 0.967 252 N HN 0.248 nan 8.380 nan 0.000 0.449 253 L N 1.236 122.525 121.223 0.109 0.000 2.525 253 L HA 0.146 4.486 4.340 -0.000 0.000 0.278 253 L C -1.836 175.105 176.870 0.119 0.000 1.218 253 L CA -1.304 53.617 54.840 0.135 0.000 0.878 253 L CB -0.017 42.189 42.059 0.245 0.000 1.127 253 L HN 0.043 nan 8.230 nan 0.000 0.492 254 P HA 0.104 nan 4.420 nan 0.000 0.275 254 P C -0.698 176.650 177.300 0.081 0.000 1.227 254 P CA -0.441 62.701 63.100 0.070 0.000 0.781 254 P CB 0.633 32.370 31.700 0.061 0.000 0.906 255 E N 2.824 123.050 120.200 0.044 0.000 2.289 255 E HA 0.335 4.685 4.350 -0.000 0.000 0.278 255 E C -1.109 175.517 176.600 0.042 0.000 1.032 255 E CA -0.366 56.064 56.400 0.050 0.000 0.854 255 E CB 0.243 29.953 29.700 0.016 0.000 1.046 255 E HN 0.354 nan 8.360 nan 0.000 0.409 256 L N 4.009 125.291 121.223 0.098 0.000 2.354 256 L HA 0.530 4.870 4.340 -0.000 0.000 0.264 256 L C -0.862 176.082 176.870 0.123 0.000 1.008 256 L CA -1.058 53.791 54.840 0.015 0.000 0.819 256 L CB 1.262 43.277 42.059 -0.074 0.000 1.339 256 L HN 0.552 nan 8.230 nan 0.000 0.420 257 F N 0.368 120.147 119.950 -0.284 0.000 2.523 257 F HA 0.596 5.123 4.527 -0.000 0.000 0.329 257 F C 0.304 175.909 175.800 -0.325 0.000 1.061 257 F CA -0.791 57.125 58.000 -0.139 0.000 0.967 257 F CB 1.470 40.465 39.000 -0.009 0.000 1.218 257 F HN 0.309 nan 8.300 nan 0.000 0.480 258 H N 2.123 121.414 119.070 0.368 0.000 2.895 258 H HA 0.637 5.193 4.556 -0.000 0.000 0.373 258 H C -1.221 174.194 175.328 0.145 0.000 1.174 258 H CA -0.725 55.462 56.048 0.232 0.000 1.144 258 H CB 3.252 33.091 29.762 0.129 0.000 1.793 258 H HN 0.592 nan 8.280 nan 0.000 0.551 259 I N 1.365 122.062 120.570 0.211 0.000 2.722 259 I HA 0.183 4.353 4.170 -0.000 0.000 0.292 259 I C -1.525 174.634 176.117 0.071 0.000 1.267 259 I CA -0.360 60.949 61.300 0.015 0.000 1.036 259 I CB 2.448 40.428 38.000 -0.034 0.000 1.281 259 I HN 0.498 nan 8.210 nan 0.000 0.423 260 Q N 7.594 127.411 119.800 0.029 0.000 2.337 260 Q HA 0.620 4.960 4.340 -0.000 0.000 0.270 260 Q C -1.405 174.660 176.000 0.108 0.000 1.043 260 Q CA -0.764 55.119 55.803 0.134 0.000 0.794 260 Q CB 3.198 31.976 28.738 0.066 0.000 1.281 260 Q HN 0.563 nan 8.270 nan 0.000 0.446 261 I N 1.322 122.007 120.570 0.191 0.000 2.447 261 I HA 0.651 4.821 4.170 -0.000 0.000 0.287 261 I C 0.016 176.236 176.117 0.171 0.000 1.023 261 I CA -0.636 60.717 61.300 0.088 0.000 1.083 261 I CB 2.074 40.101 38.000 0.044 0.000 1.245 261 I HN 0.669 nan 8.210 nan 0.000 0.434 262 G N 4.788 113.632 108.800 0.072 0.000 2.725 262 G HA2 0.811 4.771 3.960 -0.000 0.000 0.288 262 G HA3 0.811 4.771 3.960 -0.000 0.000 0.288 262 G C -1.684 173.123 174.900 -0.156 0.000 1.399 262 G CA -0.396 44.807 45.100 0.171 0.000 0.859 262 G HN 0.303 nan 8.290 nan 0.000 0.479 263 F N -0.840 119.233 119.950 0.204 0.000 2.620 263 F HA 0.494 5.021 4.527 -0.000 0.000 0.320 263 F C 0.361 176.048 175.800 -0.187 0.000 1.069 263 F CA -0.851 57.177 58.000 0.047 0.000 0.953 263 F CB 2.162 41.165 39.000 0.005 0.000 1.322 263 F HN 0.550 nan 8.300 nan 0.000 0.479 264 E N 0.721 120.557 120.200 -0.606 0.000 2.465 264 E HA 0.380 4.730 4.350 -0.000 0.000 0.260 264 E C 0.160 176.617 176.600 -0.238 0.000 0.980 264 E CA 0.151 56.114 56.400 -0.730 0.000 0.927 264 E CB 0.600 29.601 29.700 -1.165 0.000 0.934 264 E HN 0.760 nan 8.360 nan 0.000 0.459 265 G N 3.828 112.593 108.800 -0.059 0.000 2.849 265 G HA2 0.497 4.457 3.960 -0.000 0.000 0.174 265 G HA3 0.497 4.457 3.960 -0.000 0.000 0.174 265 G C -0.687 174.155 174.900 -0.096 0.000 1.370 265 G CA -0.722 44.352 45.100 -0.043 0.000 1.040 265 G HN 0.513 nan 8.290 nan 0.000 0.582 266 L N 0.375 121.535 121.223 -0.104 0.000 2.333 266 L HA 0.419 4.759 4.340 -0.000 0.000 0.269 266 L C -2.446 174.417 176.870 -0.011 0.000 1.010 266 L CA -1.963 52.788 54.840 -0.147 0.000 0.818 266 L CB 2.532 44.368 42.059 -0.371 0.000 1.306 266 L HN 0.214 nan 8.230 nan 0.000 0.430 267 P HA 0.026 nan 4.420 nan 0.000 0.271 267 P C 0.934 178.274 177.300 0.066 0.000 1.218 267 P CA -0.428 62.736 63.100 0.106 0.000 0.780 267 P CB 0.438 32.221 31.700 0.139 0.000 0.901 268 I N 0.923 121.524 120.570 0.052 0.000 2.657 268 I HA -0.178 3.992 4.170 -0.000 0.000 0.261 268 I C 0.399 176.507 176.117 -0.015 0.000 1.212 268 I CA 1.920 63.221 61.300 0.002 0.000 1.453 268 I CB -1.465 36.547 38.000 0.020 0.000 1.092 268 I HN 0.238 nan 8.210 nan 0.000 0.452 269 D N -0.806 119.611 120.400 0.029 0.000 2.402 269 D HA 0.000 4.640 4.640 -0.000 0.000 0.216 269 D C 1.023 177.288 176.300 -0.058 0.000 1.128 269 D CA -0.339 53.622 54.000 -0.064 0.000 0.833 269 D CB -0.857 39.829 40.800 -0.190 0.000 0.971 269 D HN 0.408 nan 8.370 nan 0.000 0.503 270 H N 1.563 120.575 119.070 -0.097 0.000 2.815 270 H HA 0.086 4.642 4.556 -0.000 0.000 0.350 270 H C -1.552 173.715 175.328 -0.102 0.000 1.080 270 H CA -1.022 54.975 56.048 -0.085 0.000 1.433 270 H CB 1.585 31.301 29.762 -0.076 0.000 1.432 270 H HN -0.205 nan 8.280 nan 0.000 0.592 271 P HA -0.123 nan 4.420 nan 0.000 0.217 271 P C 0.394 177.776 177.300 0.137 0.000 1.148 271 P CA 1.338 64.405 63.100 -0.054 0.000 0.828 271 P CB 0.352 31.946 31.700 -0.177 0.000 0.783 272 D N -1.746 118.885 120.400 0.385 0.000 2.340 272 D HA 0.040 4.680 4.640 -0.000 0.000 0.217 272 D C 1.699 177.997 176.300 -0.004 0.000 1.081 272 D CA -0.161 53.921 54.000 0.137 0.000 0.842 272 D CB -0.253 40.576 40.800 0.048 0.000 0.934 272 D HN 0.051 nan 8.370 nan 0.000 0.511 273 I N 0.681 121.226 120.570 -0.041 0.000 2.194 273 I HA -0.308 3.862 4.170 -0.000 0.000 0.246 273 I C 1.635 177.621 176.117 -0.218 0.000 1.093 273 I CA 1.491 62.672 61.300 -0.198 0.000 1.355 273 I CB -0.452 37.370 38.000 -0.298 0.000 1.046 273 I HN 0.030 nan 8.210 nan 0.000 0.413 274 Y N 0.811 121.112 120.300 0.001 0.000 2.200 274 Y HA -0.137 4.413 4.550 -0.000 0.000 0.290 274 Y C 2.602 178.491 175.900 -0.018 0.000 1.137 274 Y CA 1.311 59.408 58.100 -0.005 0.000 1.163 274 Y CB -1.167 37.290 38.460 -0.005 0.000 0.988 274 Y HN 0.186 nan 8.280 nan 0.000 0.518 275 A N 0.040 122.924 122.820 0.107 0.000 1.865 275 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 275 A C 2.222 179.784 177.584 -0.038 0.000 1.191 275 A CA 1.836 53.888 52.037 0.024 0.000 0.623 275 A CB -1.191 17.799 19.000 -0.018 0.000 0.826 275 A HN 0.399 nan 8.150 nan 0.000 0.444 276 L N -0.260 120.900 121.223 -0.105 0.000 2.079 276 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 276 L C 2.695 179.562 176.870 -0.006 0.000 1.081 276 L CA 2.221 56.950 54.840 -0.185 0.000 0.752 276 L CB -0.782 41.126 42.059 -0.252 0.000 0.896 276 L HN 0.377 nan 8.230 nan 0.000 0.433 277 A N -2.012 120.830 122.820 0.037 0.000 1.930 277 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 277 A C 2.245 179.891 177.584 0.103 0.000 1.175 277 A CA 2.082 54.174 52.037 0.092 0.000 0.627 277 A CB -1.057 17.989 19.000 0.077 0.000 0.815 277 A HN 0.495 nan 8.150 nan 0.000 0.443 278 T N 0.257 114.861 114.554 0.084 0.000 2.746 278 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 278 T C 1.831 176.580 174.700 0.081 0.000 1.039 278 T CA 1.496 63.641 62.100 0.075 0.000 1.142 278 T CB -0.395 68.508 68.868 0.058 0.000 0.866 278 T HN 0.331 nan 8.240 nan 0.000 0.444 279 L N 1.500 122.764 121.223 0.069 0.000 2.042 279 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 279 L C 2.508 179.512 176.870 0.224 0.000 1.076 279 L CA 1.819 56.721 54.840 0.103 0.000 0.749 279 L CB -0.891 41.156 42.059 -0.020 0.000 0.893 279 L HN 0.152 nan 8.230 nan 0.000 0.432 280 Q N -0.880 119.101 119.800 0.301 0.000 2.084 280 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 280 Q C 1.971 178.030 176.000 0.099 0.000 0.978 280 Q CA 2.454 58.388 55.803 0.218 0.000 0.844 280 Q CB -0.252 28.585 28.738 0.164 0.000 0.898 280 Q HN 0.606 nan 8.270 nan 0.000 0.426 281 T N 1.993 116.604 114.554 0.096 0.000 2.777 281 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 281 T C 1.915 176.661 174.700 0.077 0.000 1.040 281 T CA 1.035 63.179 62.100 0.074 0.000 1.141 281 T CB -0.251 68.660 68.868 0.071 0.000 0.868 281 T HN 0.292 nan 8.240 nan 0.000 0.444 282 L N 0.374 121.646 121.223 0.082 0.000 2.083 282 L HA -0.018 4.322 4.340 -0.000 0.000 0.209 282 L C 2.159 179.066 176.870 0.063 0.000 1.083 282 L CA 1.306 56.189 54.840 0.072 0.000 0.752 282 L CB -0.229 41.872 42.059 0.071 0.000 0.899 282 L HN 0.260 nan 8.230 nan 0.000 0.433 283 L N -0.911 120.357 121.223 0.075 0.000 2.044 283 L HA 0.037 4.377 4.340 -0.000 0.000 0.205 283 L C 1.938 178.819 176.870 0.018 0.000 1.075 283 L CA 0.781 55.648 54.840 0.045 0.000 0.747 283 L CB -1.113 40.992 42.059 0.077 0.000 0.903 283 L HN 0.550 nan 8.230 nan 0.000 0.435 284 G N -0.298 108.519 108.800 0.029 0.000 2.660 284 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.321 284 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.321 284 G C 0.591 175.472 174.900 -0.033 0.000 1.246 284 G CA 0.342 45.461 45.100 0.031 0.000 1.000 284 G HN 1.117 nan 8.290 nan 0.000 0.550 285 G N -2.673 106.083 108.800 -0.073 0.000 2.549 285 G HA2 0.591 4.551 3.960 -0.000 0.000 0.404 285 G HA3 0.591 4.551 3.960 -0.000 0.000 0.404 285 G C 0.740 175.445 174.900 -0.324 0.000 1.292 285 G CA 0.556 45.435 45.100 -0.367 0.000 0.935 285 G HN 3.068 nan 8.290 nan 0.000 0.512 286 G N -1.986 106.576 108.800 -0.396 0.000 2.367 286 G HA2 0.734 4.694 3.960 -0.000 0.000 0.272 286 G HA3 0.734 4.694 3.960 -0.000 0.000 0.272 286 G C 0.216 175.086 174.900 -0.049 0.000 1.271 286 G CA 0.772 45.815 45.100 -0.094 0.000 0.893 286 G HN 2.271 nan 8.290 nan 0.000 0.485 287 G N -0.722 108.148 108.800 0.117 0.000 2.451 287 G HA2 0.470 4.429 3.960 -0.000 0.000 0.303 287 G HA3 0.470 4.429 3.960 -0.000 0.000 0.303 287 G C 0.992 176.025 174.900 0.221 0.000 1.166 287 G CA 0.926 46.117 45.100 0.152 0.000 0.884 287 G HN 1.068 nan 8.290 nan 0.000 0.514 288 S N 0.184 116.006 115.700 0.202 0.000 2.537 288 S HA -0.083 4.387 4.470 -0.000 0.000 0.240 288 S C 1.474 176.232 174.600 0.263 0.000 0.981 288 S CA 0.629 58.965 58.200 0.228 0.000 0.948 288 S CB -0.322 62.984 63.200 0.177 0.000 0.759 288 S HN 0.527 nan 8.310 nan 0.000 0.531 289 F N 2.684 122.699 119.950 0.110 0.000 2.164 289 F HA 0.160 4.687 4.527 -0.000 0.000 0.287 289 F C 1.123 176.961 175.800 0.064 0.000 1.086 289 F CA 1.195 59.239 58.000 0.073 0.000 1.249 289 F CB -0.638 38.397 39.000 0.059 0.000 1.059 289 F HN 0.198 nan 8.300 nan 0.000 0.490 290 S N 0.521 116.214 115.700 -0.012 0.000 3.312 290 S HA -0.101 4.369 4.470 -0.000 0.000 0.423 290 S C -0.253 174.105 174.600 -0.403 0.000 0.840 290 S CA -0.111 58.015 58.200 -0.123 0.000 1.357 290 S CB -2.438 60.716 63.200 -0.078 0.000 0.969 290 S HN 1.055 nan 8.310 nan 0.000 0.641 291 A N 2.954 125.560 122.820 -0.357 0.000 2.331 291 A HA 0.924 5.244 4.320 -0.000 0.000 0.283 291 A C 1.080 178.591 177.584 -0.121 0.000 1.142 291 A CA 0.111 51.954 52.037 -0.324 0.000 0.812 291 A CB 0.774 19.742 19.000 -0.052 0.000 1.074 291 A HN 2.711 nan 8.150 nan 0.000 0.497 292 G N 0.348 109.077 108.800 -0.119 0.000 2.317 292 G HA2 0.533 4.493 3.960 -0.000 0.000 0.445 292 G HA3 0.533 4.493 3.960 -0.000 0.000 0.445 292 G C -0.059 174.797 174.900 -0.074 0.000 1.486 292 G CA -0.121 44.941 45.100 -0.064 0.000 0.991 292 G HN 1.497 nan 8.290 nan 0.000 0.660 293 G N -0.165 108.608 108.800 -0.044 0.000 2.553 293 G HA2 0.673 4.633 3.960 -0.000 0.000 0.278 293 G HA3 0.673 4.633 3.960 -0.000 0.000 0.278 293 G C -2.043 172.836 174.900 -0.035 0.000 1.349 293 G CA -0.753 44.324 45.100 -0.039 0.000 1.037 293 G HN 0.647 nan 8.290 nan 0.000 0.508 294 P HA 0.242 nan 4.420 nan 0.000 0.265 294 P C 0.793 178.098 177.300 0.009 0.000 1.187 294 P CA 1.577 64.678 63.100 0.002 0.000 0.766 294 P CB 0.822 32.531 31.700 0.015 0.000 0.820 295 G N 2.236 111.051 108.800 0.025 0.000 2.218 295 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 295 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 295 G C 0.925 175.839 174.900 0.023 0.000 0.994 295 G CA 0.307 45.425 45.100 0.029 0.000 0.637 295 G HN 0.635 nan 8.290 nan 0.000 0.505 296 K N 0.816 121.214 120.400 -0.003 0.000 2.362 296 K HA 0.370 4.690 4.320 -0.000 0.000 0.200 296 K C 1.500 178.105 176.600 0.007 0.000 1.046 296 K CA 1.064 57.345 56.287 -0.010 0.000 0.952 296 K CB -0.091 32.377 32.500 -0.054 0.000 0.753 296 K HN 1.711 nan 8.250 nan 0.000 0.466 297 G N 2.514 111.319 108.800 0.009 0.000 2.392 297 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 297 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 297 G C 0.300 175.176 174.900 -0.040 0.000 1.097 297 G CA 0.201 45.332 45.100 0.051 0.000 0.840 297 G HN 0.439 nan 8.290 nan 0.000 0.492 298 M N -2.122 117.334 119.600 -0.241 0.000 2.561 298 M HA 0.406 4.886 4.480 -0.000 0.000 0.238 298 M C 1.064 177.077 176.300 -0.478 0.000 1.131 298 M CA 0.616 55.552 55.300 -0.606 0.000 1.046 298 M CB -0.094 32.077 32.600 -0.715 0.000 1.532 298 M HN 0.162 nan 8.290 nan 0.000 0.497 299 Y N 1.741 122.021 120.300 -0.033 0.000 2.658 299 Y HA 0.320 4.870 4.550 -0.000 0.000 0.276 299 Y C 0.982 176.909 175.900 0.045 0.000 1.167 299 Y CA -0.778 57.329 58.100 0.012 0.000 1.230 299 Y CB -0.016 38.443 38.460 -0.001 0.000 1.144 299 Y HN 0.299 nan 8.280 nan 0.000 0.529 300 S N -0.901 114.906 115.700 0.179 0.000 2.586 300 S HA 0.302 4.772 4.470 -0.000 0.000 0.274 300 S C 1.256 175.888 174.600 0.054 0.000 1.281 300 S CA -0.869 57.408 58.200 0.129 0.000 1.035 300 S CB 1.623 64.913 63.200 0.151 0.000 0.962 300 S HN 0.386 nan 8.310 nan 0.000 0.512 301 R N 0.557 121.018 120.500 -0.066 0.000 2.119 301 R HA -0.103 4.237 4.340 -0.000 0.000 0.246 301 R C 1.886 178.062 176.300 -0.207 0.000 1.146 301 R CA 1.816 57.736 56.100 -0.300 0.000 0.962 301 R CB -0.899 29.199 30.300 -0.336 0.000 0.863 301 R HN 0.687 nan 8.270 nan 0.000 0.442 302 L N -0.740 120.427 121.223 -0.094 0.000 2.191 302 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 302 L C 2.123 178.931 176.870 -0.103 0.000 1.103 302 L CA 1.173 55.958 54.840 -0.091 0.000 0.769 302 L CB -0.410 41.573 42.059 -0.126 0.000 0.908 302 L HN 0.188 nan 8.230 nan 0.000 0.438 303 Y N 0.253 120.540 120.300 -0.022 0.000 2.176 303 Y HA -0.176 4.374 4.550 -0.000 0.000 0.291 303 Y C 2.853 178.751 175.900 -0.002 0.000 1.122 303 Y CA 1.648 59.737 58.100 -0.019 0.000 1.128 303 Y CB -0.662 37.766 38.460 -0.054 0.000 1.005 303 Y HN 0.047 nan 8.280 nan 0.000 0.509 304 T N -0.922 113.741 114.554 0.181 0.000 2.643 304 T HA -0.188 4.162 4.350 -0.000 0.000 0.264 304 T C 1.360 176.237 174.700 0.295 0.000 1.045 304 T CA 2.038 64.255 62.100 0.194 0.000 1.155 304 T CB -0.387 68.598 68.868 0.195 0.000 0.863 304 T HN 0.324 nan 8.240 nan 0.000 0.420 305 H N -0.339 118.766 119.070 0.058 0.000 2.548 305 H HA 0.312 4.868 4.556 -0.000 0.000 0.268 305 H C 1.769 177.149 175.328 0.087 0.000 0.975 305 H CA 0.045 56.125 56.048 0.053 0.000 1.195 305 H CB -0.124 29.681 29.762 0.071 0.000 1.397 305 H HN 0.234 nan 8.280 nan 0.000 0.572 306 V N -0.798 119.236 119.914 0.199 0.000 3.449 306 V HA -0.028 4.092 4.120 -0.000 0.000 0.208 306 V C 2.116 178.286 176.094 0.128 0.000 1.269 306 V CA -0.034 62.401 62.300 0.226 0.000 1.301 306 V CB -0.148 31.746 31.823 0.118 0.000 1.306 306 V HN 0.098 nan 8.190 nan 0.000 0.531 307 L N 1.503 122.750 121.223 0.040 0.000 2.012 307 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 307 L C 2.261 179.165 176.870 0.057 0.000 1.073 307 L CA 2.092 56.953 54.840 0.034 0.000 0.748 307 L CB -1.678 40.395 42.059 0.023 0.000 0.891 307 L HN 0.445 nan 8.230 nan 0.000 0.431 308 N N -0.709 118.035 118.700 0.073 0.000 2.270 308 N HA -0.140 4.600 4.740 -0.000 0.000 0.181 308 N C 1.818 177.280 175.510 -0.081 0.000 1.016 308 N CA 0.707 53.776 53.050 0.032 0.000 0.870 308 N CB -0.026 38.486 38.487 0.041 0.000 0.979 308 N HN 0.406 nan 8.380 nan 0.000 0.431 309 Q N -0.224 119.460 119.800 -0.194 0.000 2.089 309 Q HA 0.053 4.393 4.340 -0.000 0.000 0.195 309 Q C 0.001 175.531 176.000 -0.784 0.000 0.963 309 Q CA 0.967 56.476 55.803 -0.490 0.000 0.834 309 Q CB -0.112 28.209 28.738 -0.695 0.000 0.906 309 Q HN 0.431 nan 8.270 nan 0.000 0.452 310 Y N -0.013 119.983 120.300 -0.507 0.000 2.352 310 Y HA 0.189 4.739 4.550 -0.000 0.000 0.339 310 Y C 0.321 175.697 175.900 -0.873 0.000 0.992 310 Y CA -1.021 56.457 58.100 -1.037 0.000 1.100 310 Y CB 0.789 38.474 38.460 -1.291 0.000 1.192 310 Y HN 0.022 nan 8.280 nan 0.000 0.458 311 Y N -0.638 119.433 120.300 -0.383 0.000 2.442 311 Y HA 0.113 4.663 4.550 -0.000 0.000 0.250 311 Y C 1.301 177.149 175.900 -0.088 0.000 1.113 311 Y CA -0.966 57.037 58.100 -0.162 0.000 1.273 311 Y CB -0.485 37.947 38.460 -0.046 0.000 1.138 311 Y HN 0.535 nan 8.280 nan 0.000 0.522 312 F N -0.327 119.761 119.950 0.230 0.000 2.722 312 F HA 0.208 4.735 4.527 -0.000 0.000 0.298 312 F C 0.000 175.848 175.800 0.080 0.000 1.175 312 F CA -0.941 57.147 58.000 0.147 0.000 1.462 312 F CB -1.218 37.826 39.000 0.074 0.000 1.111 312 F HN -0.183 nan 8.300 nan 0.000 0.592 313 V N 2.566 122.487 119.914 0.011 0.000 2.318 313 V HA 0.169 4.289 4.120 -0.000 0.000 0.271 313 V C 0.868 177.003 176.094 0.067 0.000 1.030 313 V CA -0.357 61.972 62.300 0.049 0.000 0.844 313 V CB 0.983 32.765 31.823 -0.068 0.000 1.015 313 V HN 0.348 nan 8.190 nan 0.000 0.460 314 E N 3.898 124.156 120.200 0.097 0.000 2.447 314 E HA 0.076 4.426 4.350 -0.000 0.000 0.195 314 E C 0.526 177.184 176.600 0.097 0.000 1.028 314 E CA 0.328 56.791 56.400 0.104 0.000 0.876 314 E CB 0.387 30.153 29.700 0.110 0.000 0.885 314 E HN 0.562 nan 8.360 nan 0.000 0.500 315 N N -0.250 118.498 118.700 0.079 0.000 2.516 315 N HA 0.255 4.995 4.740 -0.000 0.000 0.268 315 N C -2.320 173.210 175.510 0.033 0.000 1.096 315 N CA -0.652 52.433 53.050 0.059 0.000 0.954 315 N CB 1.798 40.348 38.487 0.105 0.000 1.676 315 N HN 0.107 nan 8.380 nan 0.000 0.490 316 C N 3.486 122.767 119.300 -0.033 0.000 2.832 316 C HA 0.773 5.233 4.460 -0.000 0.000 0.383 316 C C -1.381 173.557 174.990 -0.087 0.000 1.046 316 C CA -0.314 58.680 59.018 -0.041 0.000 1.242 316 C CB -0.054 27.648 27.740 -0.063 0.000 1.693 316 C HN 0.540 nan 8.230 nan 0.000 0.497 317 V N 5.341 125.238 119.914 -0.028 0.000 3.120 317 V HA 0.914 5.033 4.120 -0.000 0.000 0.303 317 V C -0.231 175.836 176.094 -0.045 0.000 1.238 317 V CA 0.224 62.498 62.300 -0.043 0.000 1.008 317 V CB 2.261 34.081 31.823 -0.004 0.000 1.064 317 V HN 1.433 nan 8.190 nan 0.000 0.434 318 A N 4.801 127.557 122.820 -0.108 0.000 2.309 318 A HA 0.868 5.188 4.320 -0.000 0.000 0.298 318 A C -0.806 176.607 177.584 -0.285 0.000 1.165 318 A CA -0.273 51.599 52.037 -0.275 0.000 0.821 318 A CB 0.350 19.214 19.000 -0.227 0.000 1.102 318 A HN 1.451 nan 8.150 nan 0.000 0.500 319 F N 0.384 120.094 119.950 -0.400 0.000 2.546 319 F HA 0.668 5.195 4.527 -0.000 0.000 0.320 319 F C -0.416 174.982 175.800 -0.671 0.000 1.076 319 F CA -1.585 56.145 58.000 -0.451 0.000 0.928 319 F CB 1.725 40.526 39.000 -0.332 0.000 1.189 319 F HN 0.524 nan 8.300 nan 0.000 0.465 320 N N 1.672 120.186 118.700 -0.309 0.000 2.648 320 N HA 0.158 4.898 4.740 -0.000 0.000 0.261 320 N C -1.609 173.800 175.510 -0.167 0.000 1.138 320 N CA -0.544 52.388 53.050 -0.197 0.000 0.804 320 N CB 0.349 38.803 38.487 -0.055 0.000 1.237 320 N HN 0.720 nan 8.380 nan 0.000 0.532 321 H N 1.256 120.388 119.070 0.104 0.000 2.782 321 H HA 0.141 4.697 4.556 -0.000 0.000 0.285 321 H C -0.499 174.720 175.328 -0.182 0.000 1.093 321 H CA 0.022 56.042 56.048 -0.047 0.000 1.410 321 H CB 1.539 31.404 29.762 0.172 0.000 1.439 321 H HN 0.255 nan 8.280 nan 0.000 0.469 322 S N 4.240 119.753 115.700 -0.312 0.000 2.478 322 S HA 0.501 4.971 4.470 -0.000 0.000 0.312 322 S C -1.044 173.274 174.600 -0.470 0.000 1.094 322 S CA -0.498 57.557 58.200 -0.241 0.000 1.081 322 S CB 0.344 63.478 63.200 -0.111 0.000 1.007 322 S HN 0.407 nan 8.310 nan 0.000 0.475 323 Y N 1.155 121.516 120.300 0.101 0.000 2.805 323 Y HA 0.366 4.916 4.550 -0.000 0.000 0.321 323 Y C 2.008 177.945 175.900 0.063 0.000 1.203 323 Y CA -0.373 57.766 58.100 0.065 0.000 1.165 323 Y CB 0.352 38.831 38.460 0.033 0.000 1.371 323 Y HN 0.653 nan 8.280 nan 0.000 0.564 324 S N -0.237 115.612 115.700 0.249 0.000 2.382 324 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 324 S C 0.664 175.358 174.600 0.156 0.000 1.027 324 S CA 1.954 60.256 58.200 0.171 0.000 0.991 324 S CB -0.387 62.898 63.200 0.141 0.000 0.823 324 S HN 0.812 nan 8.310 nan 0.000 0.469 325 D N -0.765 119.726 120.400 0.152 0.000 2.539 325 D HA 0.430 5.070 4.640 -0.000 0.000 0.232 325 D C 0.288 176.682 176.300 0.157 0.000 1.256 325 D CA 0.012 54.092 54.000 0.133 0.000 0.810 325 D CB 0.330 41.189 40.800 0.100 0.000 1.090 325 D HN 0.350 nan 8.370 nan 0.000 0.519 326 S N -1.863 113.962 115.700 0.208 0.000 2.669 326 S HA 0.711 5.181 4.470 -0.000 0.000 0.266 326 S C -1.350 173.455 174.600 0.342 0.000 1.149 326 S CA -0.143 58.211 58.200 0.257 0.000 0.842 326 S CB 1.125 64.534 63.200 0.347 0.000 1.160 326 S HN 0.599 nan 8.310 nan 0.000 0.487 327 G N 0.162 109.185 108.800 0.372 0.000 2.506 327 G HA2 0.590 4.550 3.960 -0.000 0.000 0.292 327 G HA3 0.590 4.550 3.960 -0.000 0.000 0.292 327 G C -2.225 172.893 174.900 0.364 0.000 1.425 327 G CA -0.545 44.796 45.100 0.401 0.000 0.788 327 G HN 0.794 nan 8.290 nan 0.000 0.490 328 I N 0.299 121.106 120.570 0.394 0.000 2.478 328 I HA 0.462 4.632 4.170 -0.000 0.000 0.287 328 I C -1.425 174.966 176.117 0.456 0.000 1.042 328 I CA -0.554 60.971 61.300 0.375 0.000 1.067 328 I CB 2.169 40.371 38.000 0.337 0.000 1.233 328 I HN 0.396 nan 8.210 nan 0.000 0.431 329 F N 5.051 125.108 119.950 0.179 0.000 2.495 329 F HA 0.894 5.421 4.527 -0.000 0.000 0.327 329 F C 0.297 176.036 175.800 -0.101 0.000 1.103 329 F CA 0.005 58.013 58.000 0.013 0.000 0.949 329 F CB 1.826 40.737 39.000 -0.150 0.000 1.142 329 F HN 0.544 nan 8.300 nan 0.000 0.457 330 G N 4.826 112.999 108.800 -1.045 0.000 2.428 330 G HA2 0.423 4.383 3.960 -0.000 0.000 0.305 330 G HA3 0.423 4.383 3.960 -0.000 0.000 0.305 330 G C -2.049 172.067 174.900 -1.306 0.000 1.260 330 G CA -0.793 43.817 45.100 -0.817 0.000 0.853 330 G HN 0.648 nan 8.290 nan 0.000 0.480 331 I N 0.528 120.724 120.570 -0.624 0.000 2.647 331 I HA 0.581 4.751 4.170 -0.000 0.000 0.295 331 I C -0.273 175.909 176.117 0.109 0.000 1.078 331 I CA -0.850 60.280 61.300 -0.282 0.000 1.048 331 I CB 2.330 40.277 38.000 -0.088 0.000 1.239 331 I HN 0.453 nan 8.210 nan 0.000 0.421 332 S N 6.173 121.999 115.700 0.209 0.000 2.472 332 S HA 0.732 5.202 4.470 -0.000 0.000 0.303 332 S C -1.235 173.454 174.600 0.148 0.000 1.099 332 S CA -0.537 57.824 58.200 0.268 0.000 1.077 332 S CB 1.188 64.573 63.200 0.309 0.000 1.031 332 S HN 0.458 nan 8.310 nan 0.000 0.487 333 L N 3.699 125.014 121.223 0.155 0.000 2.464 333 L HA 0.650 4.990 4.340 -0.000 0.000 0.266 333 L C -1.199 175.778 176.870 0.179 0.000 0.965 333 L CA -0.140 54.781 54.840 0.134 0.000 0.833 333 L CB 1.846 43.970 42.059 0.108 0.000 1.296 333 L HN 0.720 nan 8.230 nan 0.000 0.405 334 S N 3.579 119.373 115.700 0.157 0.000 2.500 334 S HA 0.870 5.340 4.470 -0.000 0.000 0.301 334 S C -0.535 174.118 174.600 0.089 0.000 1.092 334 S CA -0.497 57.776 58.200 0.122 0.000 1.030 334 S CB 1.503 64.815 63.200 0.186 0.000 1.031 334 S HN 0.877 nan 8.310 nan 0.000 0.483 335 C N 1.667 121.000 119.300 0.056 0.000 3.318 335 C HA 0.660 5.120 4.460 -0.000 0.000 0.322 335 C C -0.924 174.066 174.990 0.000 0.000 1.398 335 C CA -1.211 57.862 59.018 0.091 0.000 1.339 335 C CB -0.239 27.603 27.740 0.169 0.000 1.668 335 C HN 0.663 nan 8.230 nan 0.000 0.462 336 I N 1.989 122.564 120.570 0.009 0.000 2.692 336 I HA 0.208 4.378 4.170 -0.000 0.000 0.284 336 I C -1.150 174.765 176.117 -0.335 0.000 1.159 336 I CA -2.047 59.187 61.300 -0.110 0.000 1.423 336 I CB 0.023 38.006 38.000 -0.027 0.000 1.380 336 I HN 0.537 nan 8.210 nan 0.000 0.580 337 P HA -0.214 nan 4.420 nan 0.000 0.217 337 P C 1.268 178.166 177.300 -0.670 0.000 1.148 337 P CA 1.440 63.850 63.100 -1.151 0.000 0.834 337 P CB 0.240 31.262 31.700 -1.131 0.000 0.783 338 Q N -0.736 118.814 119.800 -0.416 0.000 2.124 338 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 338 Q C 2.180 177.961 176.000 -0.366 0.000 0.977 338 Q CA 1.959 57.571 55.803 -0.317 0.000 0.850 338 Q CB -1.409 27.199 28.738 -0.216 0.000 0.901 338 Q HN 0.228 nan 8.270 nan 0.000 0.429 339 A N -0.045 122.526 122.820 -0.415 0.000 2.169 339 A HA 0.268 4.588 4.320 -0.000 0.000 0.212 339 A C 2.110 179.460 177.584 -0.390 0.000 1.153 339 A CA 0.867 52.561 52.037 -0.572 0.000 0.756 339 A CB -0.571 17.957 19.000 -0.786 0.000 0.813 339 A HN 0.308 nan 8.150 nan 0.000 0.471 340 A N 1.437 124.039 122.820 -0.364 0.000 1.909 340 A HA -0.188 4.132 4.320 -0.000 0.000 0.221 340 A C 0.162 177.565 177.584 -0.301 0.000 1.223 340 A CA 2.286 54.091 52.037 -0.388 0.000 0.658 340 A CB -1.885 16.749 19.000 -0.610 0.000 0.831 340 A HN 0.443 nan 8.150 nan 0.000 0.462 341 P HA -0.169 nan 4.420 nan 0.000 0.220 341 P C 1.210 178.446 177.300 -0.107 0.000 1.144 341 P CA 1.564 64.569 63.100 -0.160 0.000 0.800 341 P CB -0.074 31.532 31.700 -0.157 0.000 0.772 342 Q N -1.920 117.786 119.800 -0.157 0.000 2.396 342 Q HA 0.174 4.514 4.340 -0.000 0.000 0.209 342 Q C 2.078 178.037 176.000 -0.068 0.000 0.906 342 Q CA 0.377 56.104 55.803 -0.127 0.000 0.927 342 Q CB -0.250 28.355 28.738 -0.222 0.000 1.069 342 Q HN 0.134 nan 8.270 nan 0.000 0.523 343 A N 0.874 123.691 122.820 -0.006 0.000 1.859 343 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 343 A C 2.253 179.863 177.584 0.044 0.000 1.209 343 A CA 2.009 54.087 52.037 0.068 0.000 0.639 343 A CB -1.082 18.056 19.000 0.230 0.000 0.835 343 A HN 0.202 nan 8.150 nan 0.000 0.450 344 V N -0.049 119.915 119.914 0.085 0.000 2.250 344 V HA -0.350 3.770 4.120 -0.000 0.000 0.250 344 V C 2.573 178.626 176.094 -0.068 0.000 1.060 344 V CA 2.697 65.015 62.300 0.029 0.000 1.030 344 V CB -0.954 30.904 31.823 0.058 0.000 0.643 344 V HN 0.796 nan 8.190 nan 0.000 0.445 345 E N -0.023 120.130 120.200 -0.079 0.000 2.051 345 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 345 E C 2.145 178.609 176.600 -0.226 0.000 0.991 345 E CA 1.670 57.962 56.400 -0.181 0.000 0.799 345 E CB -0.113 29.552 29.700 -0.058 0.000 0.748 345 E HN 0.396 nan 8.360 nan 0.000 0.449 346 V N 1.304 121.129 119.914 -0.148 0.000 2.282 346 V HA -0.327 3.793 4.120 -0.000 0.000 0.249 346 V C 2.377 178.394 176.094 -0.129 0.000 1.057 346 V CA 2.066 64.273 62.300 -0.156 0.000 1.032 346 V CB -0.516 31.172 31.823 -0.225 0.000 0.645 346 V HN 0.371 nan 8.190 nan 0.000 0.447 347 I N 0.305 120.808 120.570 -0.112 0.000 2.202 347 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 347 I C 2.713 178.735 176.117 -0.158 0.000 1.091 347 I CA 1.476 62.722 61.300 -0.090 0.000 1.368 347 I CB -0.695 37.284 38.000 -0.035 0.000 1.058 347 I HN 0.298 nan 8.210 nan 0.000 0.410 348 A N 0.190 122.859 122.820 -0.252 0.000 1.940 348 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 348 A C 2.262 179.561 177.584 -0.476 0.000 1.176 348 A CA 1.731 53.530 52.037 -0.397 0.000 0.631 348 A CB -0.649 17.953 19.000 -0.662 0.000 0.814 348 A HN 0.482 nan 8.150 nan 0.000 0.446 349 Q N -1.045 118.467 119.800 -0.480 0.000 2.050 349 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 349 Q C 2.369 178.375 176.000 0.011 0.000 0.980 349 Q CA 1.561 57.256 55.803 -0.180 0.000 0.840 349 Q CB -0.181 28.523 28.738 -0.057 0.000 0.898 349 Q HN 0.635 nan 8.270 nan 0.000 0.424 350 Q N 0.006 119.791 119.800 -0.025 0.000 2.135 350 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 350 Q C 1.970 177.932 176.000 -0.064 0.000 0.981 350 Q CA 1.445 57.257 55.803 0.016 0.000 0.856 350 Q CB -0.310 28.428 28.738 0.001 0.000 0.902 350 Q HN 0.505 nan 8.270 nan 0.000 0.425 351 M N -0.974 118.487 119.600 -0.231 0.000 2.132 351 M HA -0.163 4.317 4.480 -0.000 0.000 0.263 351 M C 2.103 178.266 176.300 -0.229 0.000 1.065 351 M CA 1.379 56.294 55.300 -0.641 0.000 1.122 351 M CB -0.470 31.519 32.600 -1.018 0.000 1.365 351 M HN 0.132 nan 8.290 nan 0.000 0.411 352 Y N 1.833 122.032 120.300 -0.168 0.000 2.145 352 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 352 Y C 1.926 177.700 175.900 -0.210 0.000 1.145 352 Y CA 1.691 59.700 58.100 -0.151 0.000 1.148 352 Y CB -0.294 38.189 38.460 0.039 0.000 0.981 352 Y HN 0.243 nan 8.280 nan 0.000 0.507 353 N N -0.235 118.529 118.700 0.106 0.000 2.585 353 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 353 N C 1.564 177.094 175.510 0.033 0.000 1.102 353 N CA 1.476 54.565 53.050 0.067 0.000 0.920 353 N CB -0.619 37.974 38.487 0.177 0.000 0.963 353 N HN 0.640 nan 8.380 nan 0.000 0.447 354 T N -3.007 111.602 114.554 0.091 0.000 3.067 354 T HA 0.036 4.386 4.350 -0.000 0.000 0.257 354 T C 1.252 176.112 174.700 0.268 0.000 1.105 354 T CA 0.441 62.669 62.100 0.212 0.000 1.104 354 T CB -0.177 68.897 68.868 0.343 0.000 0.925 354 T HN 0.320 nan 8.240 nan 0.000 0.498 355 F N -0.584 119.318 119.950 -0.081 0.000 2.637 355 F HA 0.729 5.256 4.527 -0.000 0.000 0.342 355 F C 1.625 177.302 175.800 -0.205 0.000 0.822 355 F CA -0.385 57.553 58.000 -0.105 0.000 1.046 355 F CB -0.152 38.809 39.000 -0.064 0.000 0.921 355 F HN 0.086 nan 8.300 nan 0.000 0.649 356 A N 0.513 122.401 122.820 -1.553 0.000 2.307 356 A HA 0.243 4.563 4.320 -0.000 0.000 0.218 356 A C 0.485 177.500 177.584 -0.948 0.000 1.228 356 A CA 0.257 51.482 52.037 -1.354 0.000 0.857 356 A CB -0.766 17.052 19.000 -1.969 0.000 0.897 356 A HN 0.338 nan 8.150 nan 0.000 0.495 357 N N 1.075 119.418 118.700 -0.595 0.000 2.621 357 N HA 0.087 4.827 4.740 -0.000 0.000 0.237 357 N C 0.842 176.292 175.510 -0.099 0.000 0.997 357 N CA -0.191 52.745 53.050 -0.190 0.000 0.918 357 N CB 0.868 39.350 38.487 -0.008 0.000 1.122 357 N HN 0.458 nan 8.380 nan 0.000 0.510 358 K N 1.447 121.805 120.400 -0.071 0.000 2.362 358 K HA -0.110 4.210 4.320 -0.000 0.000 0.202 358 K C -0.194 176.399 176.600 -0.011 0.000 1.045 358 K CA 1.217 57.482 56.287 -0.037 0.000 0.936 358 K CB 0.320 32.805 32.500 -0.025 0.000 0.747 358 K HN 0.320 nan 8.250 nan 0.000 0.467 359 D N 0.315 120.715 120.400 0.001 0.000 2.379 359 D HA 0.116 4.756 4.640 -0.000 0.000 0.208 359 D C 0.728 177.042 176.300 0.022 0.000 1.065 359 D CA 0.302 54.310 54.000 0.012 0.000 0.848 359 D CB 0.519 41.328 40.800 0.014 0.000 0.949 359 D HN 0.191 nan 8.370 nan 0.000 0.509 360 L N 0.981 122.220 121.223 0.027 0.000 3.255 360 L HA 0.233 4.573 4.340 -0.000 0.000 0.293 360 L C 0.271 177.172 176.870 0.052 0.000 1.302 360 L CA -0.442 54.431 54.840 0.056 0.000 0.977 360 L CB 0.769 42.877 42.059 0.082 0.000 1.390 360 L HN -0.292 nan 8.230 nan 0.000 0.588 361 R N 0.680 121.198 120.500 0.029 0.000 2.811 361 R HA 0.172 4.512 4.340 -0.000 0.000 0.265 361 R C -0.263 176.066 176.300 0.048 0.000 1.026 361 R CA 0.241 56.357 56.100 0.028 0.000 1.142 361 R CB 0.291 30.601 30.300 0.017 0.000 1.027 361 R HN 0.162 nan 8.270 nan 0.000 0.465 362 L N 2.640 123.894 121.223 0.051 0.000 2.418 362 L HA 0.160 4.500 4.340 -0.000 0.000 0.274 362 L C 0.816 177.711 176.870 0.041 0.000 1.135 362 L CA -0.218 54.654 54.840 0.054 0.000 0.870 362 L CB 0.467 42.559 42.059 0.055 0.000 1.154 362 L HN 0.761 nan 8.230 nan 0.000 0.462 363 T N -1.180 113.400 114.554 0.043 0.000 2.882 363 T HA 0.122 4.472 4.350 -0.000 0.000 0.287 363 T C 1.079 175.793 174.700 0.023 0.000 1.014 363 T CA -0.790 61.329 62.100 0.032 0.000 1.049 363 T CB 1.437 70.326 68.868 0.035 0.000 1.001 363 T HN 0.554 nan 8.240 nan 0.000 0.525 364 E N 1.167 121.376 120.200 0.016 0.000 2.097 364 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 364 E C 1.681 178.285 176.600 0.006 0.000 1.000 364 E CA 1.624 58.029 56.400 0.009 0.000 0.804 364 E CB -0.164 29.538 29.700 0.004 0.000 0.740 364 E HN 0.715 nan 8.360 nan 0.000 0.454 365 D N 0.554 120.957 120.400 0.005 0.000 2.097 365 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 365 D C 1.898 178.201 176.300 0.006 0.000 0.984 365 D CA 0.804 54.803 54.000 -0.002 0.000 0.826 365 D CB -0.073 40.721 40.800 -0.009 0.000 0.973 365 D HN 0.324 nan 8.370 nan 0.000 0.460 366 E N 0.464 120.677 120.200 0.021 0.000 2.023 366 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 366 E C 2.385 179.003 176.600 0.029 0.000 1.003 366 E CA 0.790 57.209 56.400 0.032 0.000 0.809 366 E CB -0.009 29.717 29.700 0.043 0.000 0.755 366 E HN 0.032 nan 8.360 nan 0.000 0.449 367 V N 0.950 120.880 119.914 0.026 0.000 2.287 367 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 367 V C 2.468 178.572 176.094 0.017 0.000 1.053 367 V CA 1.983 64.297 62.300 0.024 0.000 1.027 367 V CB -0.555 31.280 31.823 0.019 0.000 0.646 367 V HN 0.278 nan 8.190 nan 0.000 0.447 368 S N -0.551 115.154 115.700 0.009 0.000 2.370 368 S HA -0.276 4.194 4.470 -0.000 0.000 0.226 368 S C 2.219 176.821 174.600 0.003 0.000 1.033 368 S CA 2.151 60.352 58.200 0.002 0.000 1.011 368 S CB -0.299 62.897 63.200 -0.006 0.000 0.852 368 S HN 0.585 nan 8.310 nan 0.000 0.457 369 R N 0.444 120.946 120.500 0.005 0.000 2.062 369 R HA 0.010 4.350 4.340 -0.000 0.000 0.231 369 R C 2.470 178.785 176.300 0.025 0.000 1.136 369 R CA 1.386 57.490 56.100 0.008 0.000 0.948 369 R CB -0.822 29.482 30.300 0.006 0.000 0.845 369 R HN 0.426 nan 8.270 nan 0.000 0.430 370 A N 1.455 124.296 122.820 0.035 0.000 1.873 370 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 370 A C 2.055 179.662 177.584 0.039 0.000 1.193 370 A CA 2.003 54.068 52.037 0.045 0.000 0.629 370 A CB -0.527 18.503 19.000 0.050 0.000 0.826 370 A HN 0.411 nan 8.150 nan 0.000 0.447 371 K N -0.473 119.944 120.400 0.029 0.000 2.020 371 K HA -0.185 4.135 4.320 -0.000 0.000 0.212 371 K C 1.886 178.496 176.600 0.016 0.000 1.050 371 K CA 1.638 57.938 56.287 0.022 0.000 0.929 371 K CB -0.293 32.212 32.500 0.008 0.000 0.714 371 K HN 0.442 nan 8.250 nan 0.000 0.443 372 N N 1.030 119.737 118.700 0.011 0.000 2.166 372 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 372 N C 1.740 177.261 175.510 0.017 0.000 1.019 372 N CA 1.224 54.279 53.050 0.008 0.000 0.856 372 N CB -0.096 38.392 38.487 0.002 0.000 0.993 372 N HN 0.336 nan 8.380 nan 0.000 0.426 373 Q N -0.009 119.807 119.800 0.027 0.000 2.224 373 Q HA -0.055 4.285 4.340 -0.000 0.000 0.203 373 Q C 1.945 177.968 176.000 0.039 0.000 0.970 373 Q CA 0.541 56.364 55.803 0.035 0.000 0.865 373 Q CB -0.019 28.747 28.738 0.046 0.000 0.922 373 Q HN 0.226 nan 8.270 nan 0.000 0.445 374 L N 1.105 122.353 121.223 0.042 0.000 2.023 374 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 374 L C 1.878 178.775 176.870 0.044 0.000 1.073 374 L CA 1.804 56.676 54.840 0.053 0.000 0.745 374 L CB -0.247 41.853 42.059 0.068 0.000 0.900 374 L HN -0.068 nan 8.230 nan 0.000 0.435 375 K N -0.723 119.693 120.400 0.026 0.000 2.044 375 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 375 K C 2.340 178.950 176.600 0.016 0.000 1.049 375 K CA 1.725 58.017 56.287 0.010 0.000 0.927 375 K CB -0.517 31.978 32.500 -0.007 0.000 0.713 375 K HN 0.445 nan 8.250 nan 0.000 0.443 376 S N 0.972 116.683 115.700 0.018 0.000 2.343 376 S HA -0.169 4.301 4.470 -0.000 0.000 0.219 376 S C 2.175 176.790 174.600 0.025 0.000 1.033 376 S CA 2.115 60.327 58.200 0.020 0.000 1.014 376 S CB -0.323 62.889 63.200 0.020 0.000 0.915 376 S HN 0.466 nan 8.310 nan 0.000 0.435 377 S N 1.544 117.263 115.700 0.031 0.000 2.382 377 S HA -0.014 4.456 4.470 -0.000 0.000 0.228 377 S C 1.960 176.580 174.600 0.034 0.000 1.027 377 S CA 1.269 59.489 58.200 0.034 0.000 0.991 377 S CB -0.876 62.346 63.200 0.037 0.000 0.823 377 S HN 0.536 nan 8.310 nan 0.000 0.469 378 L N 0.699 121.945 121.223 0.039 0.000 1.994 378 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 378 L C 2.735 179.624 176.870 0.031 0.000 1.071 378 L CA 1.344 56.209 54.840 0.042 0.000 0.745 378 L CB -0.662 41.431 42.059 0.056 0.000 0.892 378 L HN 0.303 nan 8.230 nan 0.000 0.431 379 L N -1.091 120.147 121.223 0.024 0.000 2.083 379 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 379 L C 2.639 179.521 176.870 0.021 0.000 1.083 379 L CA 1.274 56.124 54.840 0.018 0.000 0.752 379 L CB -0.342 41.723 42.059 0.011 0.000 0.899 379 L HN 0.329 nan 8.230 nan 0.000 0.433 380 M N -0.862 118.751 119.600 0.023 0.000 2.200 380 M HA -0.198 4.282 4.480 -0.000 0.000 0.265 380 M C 2.075 178.392 176.300 0.029 0.000 1.066 380 M CA 1.580 56.895 55.300 0.025 0.000 1.127 380 M CB -0.541 32.073 32.600 0.025 0.000 1.379 380 M HN 0.328 nan 8.290 nan 0.000 0.420 381 N N 0.646 119.364 118.700 0.030 0.000 2.166 381 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 381 N C 1.334 176.865 175.510 0.034 0.000 1.019 381 N CA 0.870 53.940 53.050 0.032 0.000 0.856 381 N CB 0.162 38.668 38.487 0.032 0.000 0.993 381 N HN 0.141 nan 8.380 nan 0.000 0.426 382 L N 1.879 123.120 121.223 0.030 0.000 2.633 382 L HA -0.017 4.322 4.340 -0.000 0.000 0.235 382 L C 1.685 178.573 176.870 0.029 0.000 1.163 382 L CA 1.146 56.003 54.840 0.029 0.000 0.859 382 L CB -0.694 41.379 42.059 0.023 0.000 0.973 382 L HN 0.171 nan 8.230 nan 0.000 0.451 383 E N -1.501 118.718 120.200 0.032 0.000 2.208 383 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 383 E C 0.985 177.610 176.600 0.041 0.000 0.988 383 E CA 0.298 56.718 56.400 0.032 0.000 0.828 383 E CB 0.131 29.851 29.700 0.034 0.000 0.763 383 E HN 0.327 nan 8.360 nan 0.000 0.478 384 S N 0.505 116.237 115.700 0.052 0.000 2.499 384 S HA 0.068 4.538 4.470 -0.000 0.000 0.275 384 S C 0.840 175.486 174.600 0.075 0.000 1.257 384 S CA -0.458 57.787 58.200 0.074 0.000 1.050 384 S CB 1.023 64.267 63.200 0.074 0.000 0.937 384 S HN 0.034 nan 8.310 nan 0.000 0.490 385 K N 3.047 123.503 120.400 0.094 0.000 2.063 385 K HA -0.097 4.223 4.320 -0.000 0.000 0.208 385 K C 1.628 178.297 176.600 0.115 0.000 1.048 385 K CA 1.132 57.472 56.287 0.089 0.000 0.928 385 K CB -0.263 32.298 32.500 0.102 0.000 0.713 385 K HN 0.502 nan 8.250 nan 0.000 0.442 386 L N 0.707 122.011 121.223 0.136 0.000 2.079 386 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 386 L C 2.220 179.149 176.870 0.097 0.000 1.081 386 L CA 1.445 56.357 54.840 0.119 0.000 0.752 386 L CB -0.760 41.358 42.059 0.099 0.000 0.896 386 L HN -0.019 nan 8.230 nan 0.000 0.433 387 V N -0.702 119.259 119.914 0.078 0.000 2.379 387 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 387 V C 2.512 178.636 176.094 0.050 0.000 1.044 387 V CA 1.586 63.922 62.300 0.060 0.000 1.036 387 V CB -0.460 31.393 31.823 0.049 0.000 0.664 387 V HN 0.521 nan 8.190 nan 0.000 0.453 388 E N 0.088 120.318 120.200 0.051 0.000 2.085 388 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 388 E C 2.184 178.807 176.600 0.039 0.000 0.994 388 E CA 1.651 58.074 56.400 0.039 0.000 0.801 388 E CB -0.144 29.582 29.700 0.043 0.000 0.743 388 E HN 0.452 nan 8.360 nan 0.000 0.453 389 L N 1.626 122.890 121.223 0.069 0.000 1.970 389 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 389 L C 2.425 179.311 176.870 0.026 0.000 1.071 389 L CA 2.499 57.389 54.840 0.082 0.000 0.751 389 L CB -0.663 41.482 42.059 0.143 0.000 0.889 389 L HN 0.233 nan 8.230 nan 0.000 0.432 390 E N -0.833 119.417 120.200 0.084 0.000 2.058 390 E HA -0.330 4.020 4.350 -0.000 0.000 0.194 390 E C 1.914 178.468 176.600 -0.077 0.000 0.997 390 E CA 1.709 58.152 56.400 0.072 0.000 0.801 390 E CB -0.249 29.533 29.700 0.137 0.000 0.746 390 E HN 0.711 nan 8.360 nan 0.000 0.450 391 D N -0.068 120.309 120.400 -0.038 0.000 2.123 391 D HA -0.228 4.412 4.640 -0.000 0.000 0.196 391 D C 2.168 178.399 176.300 -0.114 0.000 0.992 391 D CA 1.731 55.697 54.000 -0.056 0.000 0.833 391 D CB -0.145 40.642 40.800 -0.022 0.000 0.954 391 D HN 0.279 nan 8.370 nan 0.000 0.455 392 M N -0.549 118.979 119.600 -0.120 0.000 2.132 392 M HA -0.019 4.461 4.480 -0.000 0.000 0.263 392 M C 2.139 178.303 176.300 -0.227 0.000 1.065 392 M CA 2.104 57.324 55.300 -0.133 0.000 1.122 392 M CB -0.369 32.208 32.600 -0.038 0.000 1.365 392 M HN 0.119 nan 8.290 nan 0.000 0.411 393 G N 0.582 109.098 108.800 -0.473 0.000 2.446 393 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 393 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 393 G C 1.534 176.105 174.900 -0.549 0.000 1.168 393 G CA 0.890 45.453 45.100 -0.894 0.000 0.771 393 G HN 0.504 nan 8.290 nan 0.000 0.551 394 R N -0.093 120.163 120.500 -0.407 0.000 2.092 394 R HA 0.004 4.344 4.340 -0.000 0.000 0.231 394 R C 2.752 178.941 176.300 -0.184 0.000 1.119 394 R CA 1.164 57.153 56.100 -0.185 0.000 0.970 394 R CB -0.318 29.930 30.300 -0.087 0.000 0.864 394 R HN 0.426 nan 8.270 nan 0.000 0.440 395 Q N 0.243 119.935 119.800 -0.182 0.000 2.079 395 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 395 Q C 2.219 178.098 176.000 -0.203 0.000 0.974 395 Q CA 1.394 57.082 55.803 -0.192 0.000 0.840 395 Q CB 0.082 28.762 28.738 -0.097 0.000 0.898 395 Q HN 0.176 nan 8.270 nan 0.000 0.430 396 V N 0.811 120.656 119.914 -0.115 0.000 2.358 396 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 396 V C 2.146 178.212 176.094 -0.046 0.000 1.047 396 V CA 1.135 63.423 62.300 -0.019 0.000 1.035 396 V CB -0.408 31.456 31.823 0.069 0.000 0.658 396 V HN 0.293 nan 8.190 nan 0.000 0.452 397 L N -0.744 120.432 121.223 -0.077 0.000 2.079 397 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 397 L C 2.263 179.085 176.870 -0.080 0.000 1.081 397 L CA 2.149 56.964 54.840 -0.041 0.000 0.752 397 L CB -0.451 41.602 42.059 -0.009 0.000 0.896 397 L HN 0.283 nan 8.230 nan 0.000 0.433 398 M N -1.667 117.810 119.600 -0.205 0.000 2.160 398 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 398 M C 0.749 176.878 176.300 -0.285 0.000 1.073 398 M CA 1.468 56.589 55.300 -0.298 0.000 1.142 398 M CB -0.005 32.290 32.600 -0.508 0.000 1.358 398 M HN 0.423 nan 8.290 nan 0.000 0.422 399 H N -2.349 116.737 119.070 0.028 0.000 2.750 399 H HA 0.349 4.905 4.556 -0.000 0.000 0.252 399 H C 0.661 176.012 175.328 0.038 0.000 1.176 399 H CA 0.234 56.300 56.048 0.029 0.000 0.987 399 H CB -0.546 29.227 29.762 0.019 0.000 1.810 399 H HN 0.525 nan 8.280 nan 0.000 0.630 400 G N 2.884 111.739 108.800 0.091 0.000 2.390 400 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.299 400 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.299 400 G C 0.118 175.121 174.900 0.171 0.000 1.002 400 G CA 0.767 45.939 45.100 0.120 0.000 0.979 400 G HN 0.829 nan 8.290 nan 0.000 0.513 401 R N -2.141 118.457 120.500 0.164 0.000 2.664 401 R HA 0.638 4.978 4.340 -0.000 0.000 0.260 401 R C -1.237 175.028 176.300 -0.057 0.000 1.062 401 R CA -1.205 54.977 56.100 0.137 0.000 0.902 401 R CB 1.102 31.477 30.300 0.125 0.000 1.258 401 R HN 0.150 nan 8.270 nan 0.000 0.465 402 K N 3.638 123.780 120.400 -0.429 0.000 2.339 402 K HA 0.331 4.651 4.320 -0.000 0.000 0.264 402 K C -0.503 175.884 176.600 -0.356 0.000 0.986 402 K CA -0.785 55.158 56.287 -0.574 0.000 0.866 402 K CB 1.366 33.126 32.500 -1.234 0.000 1.103 402 K HN 0.713 nan 8.250 nan 0.000 0.441 403 I N 7.061 127.538 120.570 -0.155 0.000 2.598 403 I HA 0.101 4.271 4.170 -0.000 0.000 0.284 403 I C -1.932 174.130 176.117 -0.092 0.000 1.140 403 I CA -1.559 59.695 61.300 -0.077 0.000 1.420 403 I CB 0.846 38.847 38.000 0.002 0.000 1.387 403 I HN 0.593 nan 8.210 nan 0.000 0.553 404 P HA 0.013 nan 4.420 nan 0.000 0.275 404 P C 0.914 178.193 177.300 -0.035 0.000 1.228 404 P CA -0.265 62.806 63.100 -0.049 0.000 0.786 404 P CB 1.395 33.082 31.700 -0.022 0.000 0.927 405 V N 3.334 123.231 119.914 -0.029 0.000 2.282 405 V HA -0.322 3.798 4.120 -0.000 0.000 0.249 405 V C 2.360 178.429 176.094 -0.041 0.000 1.057 405 V CA 2.440 64.724 62.300 -0.027 0.000 1.032 405 V CB -1.539 30.274 31.823 -0.017 0.000 0.645 405 V HN 0.610 nan 8.190 nan 0.000 0.447 406 N N -0.368 118.311 118.700 -0.035 0.000 2.060 406 N HA -0.298 4.442 4.740 -0.000 0.000 0.195 406 N C 1.983 177.455 175.510 -0.063 0.000 1.028 406 N CA 1.724 54.749 53.050 -0.042 0.000 0.861 406 N CB -0.216 38.254 38.487 -0.028 0.000 1.029 406 N HN 0.611 nan 8.380 nan 0.000 0.428 407 E N 0.870 121.035 120.200 -0.058 0.000 2.077 407 E HA -0.221 4.128 4.350 -0.000 0.000 0.193 407 E C 2.123 178.639 176.600 -0.139 0.000 0.989 407 E CA 0.880 57.237 56.400 -0.072 0.000 0.800 407 E CB 0.002 29.678 29.700 -0.040 0.000 0.746 407 E HN 0.338 nan 8.360 nan 0.000 0.452 408 M N 0.472 119.988 119.600 -0.141 0.000 2.086 408 M HA -0.194 4.286 4.480 -0.000 0.000 0.261 408 M C 2.059 178.127 176.300 -0.387 0.000 1.067 408 M CA 1.616 56.746 55.300 -0.284 0.000 1.116 408 M CB -0.150 32.397 32.600 -0.090 0.000 1.348 408 M HN 0.138 nan 8.290 nan 0.000 0.407 409 I N -0.008 120.439 120.570 -0.204 0.000 2.163 409 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 409 I C 2.410 178.423 176.117 -0.175 0.000 1.085 409 I CA 1.548 62.750 61.300 -0.164 0.000 1.347 409 I CB -0.584 37.361 38.000 -0.091 0.000 1.044 409 I HN 0.369 nan 8.210 nan 0.000 0.408 410 S N 0.714 116.324 115.700 -0.151 0.000 2.353 410 S HA -0.230 4.240 4.470 -0.000 0.000 0.222 410 S C 1.916 176.423 174.600 -0.155 0.000 1.035 410 S CA 1.454 59.581 58.200 -0.123 0.000 1.025 410 S CB -0.316 62.830 63.200 -0.092 0.000 0.902 410 S HN 0.364 nan 8.310 nan 0.000 0.440 411 K N 0.515 120.775 120.400 -0.232 0.000 2.218 411 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 411 K C 1.863 178.313 176.600 -0.250 0.000 1.046 411 K CA 1.099 57.239 56.287 -0.246 0.000 0.933 411 K CB -0.296 31.987 32.500 -0.361 0.000 0.728 411 K HN 0.399 nan 8.250 nan 0.000 0.454 412 I N 0.482 120.864 120.570 -0.313 0.000 2.339 412 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 412 I C 1.956 178.021 176.117 -0.087 0.000 1.096 412 I CA 0.940 62.134 61.300 -0.177 0.000 1.408 412 I CB -0.149 37.748 38.000 -0.172 0.000 1.092 412 I HN 0.140 nan 8.210 nan 0.000 0.423 413 E N 0.963 121.108 120.200 -0.091 0.000 2.160 413 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 413 E C 1.042 177.617 176.600 -0.043 0.000 0.991 413 E CA 1.167 57.533 56.400 -0.056 0.000 0.810 413 E CB -0.075 29.591 29.700 -0.056 0.000 0.742 413 E HN 0.449 nan 8.360 nan 0.000 0.466 414 D N 0.204 120.574 120.400 -0.049 0.000 2.349 414 D HA 0.023 4.663 4.640 -0.000 0.000 0.224 414 D C 0.376 176.664 176.300 -0.020 0.000 1.029 414 D CA 0.323 54.303 54.000 -0.033 0.000 0.879 414 D CB 0.045 40.824 40.800 -0.036 0.000 0.906 414 D HN 0.128 nan 8.370 nan 0.000 0.528 415 L N 0.782 121.995 121.223 -0.017 0.000 2.456 415 L HA 0.139 4.479 4.340 -0.000 0.000 0.272 415 L C 0.616 177.485 176.870 -0.003 0.000 1.189 415 L CA 0.409 55.247 54.840 -0.002 0.000 0.846 415 L CB 0.536 42.601 42.059 0.010 0.000 1.111 415 L HN -0.321 nan 8.230 nan 0.000 0.475 416 K N 3.165 123.565 120.400 -0.001 0.000 2.385 416 K HA 0.341 4.661 4.320 -0.000 0.000 0.248 416 K C -1.886 174.716 176.600 0.003 0.000 0.955 416 K CA -1.609 54.678 56.287 -0.000 0.000 0.816 416 K CB 1.923 34.422 32.500 -0.002 0.000 1.250 416 K HN 0.091 nan 8.250 nan 0.000 0.434 417 P HA -0.281 nan 4.420 nan 0.000 0.219 417 P C 0.247 177.552 177.300 0.009 0.000 1.158 417 P CA 1.518 64.625 63.100 0.011 0.000 0.895 417 P CB 0.219 31.928 31.700 0.014 0.000 0.792 418 D N -1.106 119.297 120.400 0.005 0.000 2.178 418 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 418 D C 1.559 177.854 176.300 -0.008 0.000 0.980 418 D CA 1.011 55.012 54.000 0.002 0.000 0.842 418 D CB -0.695 40.105 40.800 -0.000 0.000 0.948 418 D HN 0.241 nan 8.370 nan 0.000 0.472 419 D N 0.605 120.999 120.400 -0.010 0.000 2.084 419 D HA -0.127 4.513 4.640 -0.000 0.000 0.194 419 D C 2.219 178.499 176.300 -0.034 0.000 0.990 419 D CA 0.546 54.535 54.000 -0.018 0.000 0.826 419 D CB -0.068 40.727 40.800 -0.007 0.000 0.971 419 D HN 0.186 nan 8.370 nan 0.000 0.453 420 I N 1.194 121.751 120.570 -0.022 0.000 2.286 420 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 420 I C 2.413 178.505 176.117 -0.041 0.000 1.115 420 I CA 0.923 62.203 61.300 -0.033 0.000 1.392 420 I CB -1.306 36.693 38.000 -0.002 0.000 1.065 420 I HN -0.130 nan 8.210 nan 0.000 0.418 421 S N 0.311 116.005 115.700 -0.010 0.000 2.383 421 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 421 S C 2.116 176.693 174.600 -0.038 0.000 1.026 421 S CA 0.848 59.057 58.200 0.017 0.000 0.981 421 S CB -0.230 62.997 63.200 0.045 0.000 0.818 421 S HN 0.385 nan 8.310 nan 0.000 0.472 422 R N 1.081 121.545 120.500 -0.059 0.000 2.073 422 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 422 R C 2.027 178.220 176.300 -0.179 0.000 1.134 422 R CA 1.549 57.593 56.100 -0.094 0.000 0.952 422 R CB -0.462 29.797 30.300 -0.067 0.000 0.850 422 R HN 0.304 nan 8.270 nan 0.000 0.433 423 V N 1.079 120.877 119.914 -0.195 0.000 2.358 423 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 423 V C 2.579 178.408 176.094 -0.441 0.000 1.047 423 V CA 1.739 63.861 62.300 -0.297 0.000 1.035 423 V CB -0.880 30.775 31.823 -0.280 0.000 0.658 423 V HN 0.485 nan 8.190 nan 0.000 0.452 424 A N 0.214 122.810 122.820 -0.374 0.000 1.883 424 A HA -0.323 3.997 4.320 -0.000 0.000 0.217 424 A C 2.298 179.469 177.584 -0.689 0.000 1.186 424 A CA 2.296 54.073 52.037 -0.433 0.000 0.624 424 A CB -0.567 18.404 19.000 -0.048 0.000 0.822 424 A HN 0.666 nan 8.150 nan 0.000 0.444 425 E N -0.738 119.011 120.200 -0.751 0.000 2.051 425 E HA -0.245 4.104 4.350 -0.000 0.000 0.192 425 E C 2.052 178.242 176.600 -0.683 0.000 0.991 425 E CA 1.520 57.254 56.400 -1.110 0.000 0.799 425 E CB -0.269 29.117 29.700 -0.523 0.000 0.748 425 E HN 0.626 nan 8.360 nan 0.000 0.449 426 M N 0.420 119.735 119.600 -0.476 0.000 2.082 426 M HA -0.207 4.273 4.480 -0.000 0.000 0.258 426 M C 1.782 177.814 176.300 -0.447 0.000 1.069 426 M CA 1.632 56.707 55.300 -0.376 0.000 1.102 426 M CB -0.093 32.321 32.600 -0.310 0.000 1.336 426 M HN 0.211 nan 8.290 nan 0.000 0.404 427 I N 0.182 120.384 120.570 -0.614 0.000 2.133 427 I HA -0.236 3.934 4.170 -0.000 0.000 0.238 427 I C 2.206 177.887 176.117 -0.727 0.000 1.074 427 I CA 1.709 62.592 61.300 -0.696 0.000 1.342 427 I CB -1.834 35.549 38.000 -1.028 0.000 1.053 427 I HN 0.259 nan 8.210 nan 0.000 0.404 428 F N 0.980 120.546 119.950 -0.640 0.000 2.546 428 F HA -0.077 4.449 4.527 -0.000 0.000 0.298 428 F C 2.441 177.790 175.800 -0.751 0.000 1.120 428 F CA 0.792 58.284 58.000 -0.848 0.000 1.456 428 F CB -1.441 37.261 39.000 -0.497 0.000 1.088 428 F HN 0.030 nan 8.300 nan 0.000 0.572 429 T N -1.248 113.072 114.554 -0.392 0.000 3.081 429 T HA 0.251 4.601 4.350 -0.000 0.000 0.250 429 T C 1.569 176.178 174.700 -0.151 0.000 1.100 429 T CA 0.770 62.748 62.100 -0.203 0.000 1.038 429 T CB -0.334 68.422 68.868 -0.187 0.000 0.962 429 T HN 0.411 nan 8.240 nan 0.000 0.516 430 G N 2.473 111.145 108.800 -0.214 0.000 2.225 430 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.264 430 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.264 430 G C 0.320 175.175 174.900 -0.076 0.000 1.060 430 G CA -0.110 44.950 45.100 -0.065 0.000 0.833 430 G HN 0.454 nan 8.290 nan 0.000 0.498 431 N N -0.233 118.384 118.700 -0.138 0.000 2.389 431 N HA 0.253 4.993 4.740 -0.000 0.000 0.260 431 N C 0.293 175.731 175.510 -0.120 0.000 1.191 431 N CA 0.056 53.041 53.050 -0.108 0.000 0.885 431 N CB 0.925 39.345 38.487 -0.111 0.000 1.162 431 N HN 0.244 nan 8.380 nan 0.000 0.512 432 V N 1.489 121.322 119.914 -0.135 0.000 2.509 432 V HA 0.274 4.394 4.120 -0.000 0.000 0.284 432 V C 0.087 176.141 176.094 -0.067 0.000 1.047 432 V CA -0.532 61.687 62.300 -0.134 0.000 0.952 432 V CB 1.484 33.192 31.823 -0.192 0.000 0.988 432 V HN 0.181 nan 8.190 nan 0.000 0.469 433 N N 4.415 123.099 118.700 -0.027 0.000 2.851 433 N HA 0.332 5.072 4.740 -0.000 0.000 0.248 433 N C -0.738 174.794 175.510 0.038 0.000 1.221 433 N CA -0.374 52.682 53.050 0.010 0.000 0.847 433 N CB 0.833 39.329 38.487 0.014 0.000 1.150 433 N HN 0.575 nan 8.380 nan 0.000 0.507 434 N N 0.327 119.053 118.700 0.044 0.000 2.458 434 N HA 0.248 4.987 4.740 -0.000 0.000 0.271 434 N C 1.314 176.869 175.510 0.075 0.000 1.210 434 N CA -0.384 52.710 53.050 0.073 0.000 0.978 434 N CB 0.967 39.506 38.487 0.087 0.000 1.206 434 N HN 0.322 nan 8.380 nan 0.000 0.536 435 A N 0.556 123.424 122.820 0.080 0.000 1.948 435 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 435 A C 1.817 179.447 177.584 0.077 0.000 1.177 435 A CA 2.178 54.258 52.037 0.072 0.000 0.636 435 A CB -1.151 17.893 19.000 0.072 0.000 0.815 435 A HN 0.718 nan 8.150 nan 0.000 0.449 436 G N -1.197 107.662 108.800 0.098 0.000 2.848 436 G HA2 0.062 4.022 3.960 -0.000 0.000 0.208 436 G HA3 0.062 4.022 3.960 -0.000 0.000 0.208 436 G C 0.567 175.529 174.900 0.102 0.000 1.152 436 G CA 0.679 45.843 45.100 0.107 0.000 0.789 436 G HN 0.801 nan 8.290 nan 0.000 0.531 437 N N -0.480 118.273 118.700 0.088 0.000 2.614 437 N HA -0.090 4.650 4.740 -0.000 0.000 0.276 437 N C 0.570 176.138 175.510 0.096 0.000 1.119 437 N CA 0.754 53.850 53.050 0.076 0.000 0.742 437 N CB -1.153 37.371 38.487 0.061 0.000 0.900 437 N HN 0.422 nan 8.380 nan 0.000 0.549 438 G N 1.558 110.428 108.800 0.117 0.000 2.507 438 G HA2 0.415 4.375 3.960 -0.000 0.000 0.271 438 G HA3 0.415 4.375 3.960 -0.000 0.000 0.271 438 G C 0.082 175.079 174.900 0.161 0.000 1.189 438 G CA -0.627 44.581 45.100 0.179 0.000 0.859 438 G HN 0.360 nan 8.290 nan 0.000 0.542 439 K N 0.024 120.554 120.400 0.217 0.000 2.180 439 K HA 0.228 4.548 4.320 -0.000 0.000 0.251 439 K C 1.180 177.909 176.600 0.214 0.000 1.014 439 K CA -0.110 56.280 56.287 0.172 0.000 0.913 439 K CB 0.880 33.459 32.500 0.132 0.000 1.008 439 K HN 0.475 nan 8.250 nan 0.000 0.490 440 G N 0.586 109.486 108.800 0.165 0.000 3.371 440 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.248 440 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.248 440 G C 0.442 175.510 174.900 0.279 0.000 1.161 440 G CA -0.180 45.028 45.100 0.180 0.000 0.796 440 G HN 0.373 nan 8.290 nan 0.000 0.539 441 R N 0.738 121.402 120.500 0.274 0.000 2.490 441 R HA 0.542 4.882 4.340 -0.000 0.000 0.280 441 R C 0.515 176.939 176.300 0.207 0.000 1.077 441 R CA -0.307 55.921 56.100 0.214 0.000 1.065 441 R CB 0.606 30.963 30.300 0.094 0.000 1.003 441 R HN 0.100 nan 8.270 nan 0.000 0.470 442 A N 2.752 125.583 122.820 0.019 0.000 2.366 442 A HA 0.249 4.569 4.320 -0.000 0.000 0.249 442 A C -0.442 176.991 177.584 -0.252 0.000 1.084 442 A CA -0.056 51.709 52.037 -0.453 0.000 0.794 442 A CB 0.658 19.264 19.000 -0.657 0.000 1.034 442 A HN 0.739 nan 8.150 nan 0.000 0.491 443 T N 1.136 115.521 114.554 -0.281 0.000 2.770 443 T HA 0.525 4.875 4.350 -0.000 0.000 0.283 443 T C -0.779 173.824 174.700 -0.162 0.000 0.988 443 T CA -0.229 61.760 62.100 -0.185 0.000 0.957 443 T CB 0.885 69.673 68.868 -0.134 0.000 0.930 443 T HN 0.452 nan 8.240 nan 0.000 0.443 444 V N 4.187 124.015 119.914 -0.144 0.000 2.483 444 V HA 0.601 4.721 4.120 -0.000 0.000 0.297 444 V C -0.508 175.502 176.094 -0.141 0.000 1.027 444 V CA -0.724 61.497 62.300 -0.130 0.000 0.855 444 V CB 1.890 33.636 31.823 -0.128 0.000 0.995 444 V HN 0.646 nan 8.190 nan 0.000 0.424 445 V N 7.150 126.980 119.914 -0.140 0.000 2.638 445 V HA 0.754 4.874 4.120 -0.000 0.000 0.306 445 V C -0.416 175.562 176.094 -0.193 0.000 1.052 445 V CA -0.353 61.861 62.300 -0.145 0.000 0.885 445 V CB 1.932 33.693 31.823 -0.104 0.000 0.999 445 V HN 0.935 nan 8.190 nan 0.000 0.424 446 M N 4.234 123.691 119.600 -0.239 0.000 2.622 446 M HA 0.653 5.133 4.480 -0.000 0.000 0.276 446 M C -1.586 174.617 176.300 -0.162 0.000 1.265 446 M CA -0.826 54.286 55.300 -0.313 0.000 0.850 446 M CB 2.374 34.428 32.600 -0.909 0.000 1.720 446 M HN 0.562 nan 8.290 nan 0.000 0.465 447 Q N 0.821 120.598 119.800 -0.038 0.000 2.325 447 Q HA 0.743 5.083 4.340 -0.000 0.000 0.270 447 Q C -0.722 175.191 176.000 -0.146 0.000 1.020 447 Q CA 0.124 55.923 55.803 -0.006 0.000 0.785 447 Q CB 2.138 30.948 28.738 0.120 0.000 1.259 447 Q HN 1.168 nan 8.270 nan 0.000 0.452 448 G N 2.727 111.291 108.800 -0.394 0.000 2.340 448 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.282 448 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.282 448 G C -1.795 172.771 174.900 -0.556 0.000 1.312 448 G CA -0.626 43.704 45.100 -1.284 0.000 0.942 448 G HN 0.689 nan 8.290 nan 0.000 0.495 449 D N -0.488 119.655 120.400 -0.429 0.000 2.343 449 D HA 0.489 5.129 4.640 -0.000 0.000 0.255 449 D C 1.535 177.908 176.300 0.122 0.000 1.187 449 D CA -0.342 53.653 54.000 -0.008 0.000 0.875 449 D CB 1.416 42.290 40.800 0.124 0.000 1.136 449 D HN 0.588 nan 8.370 nan 0.000 0.469 450 R N 3.467 124.046 120.500 0.131 0.000 2.096 450 R HA -0.118 4.222 4.340 -0.000 0.000 0.240 450 R C 2.088 178.527 176.300 0.231 0.000 1.139 450 R CA 2.312 58.542 56.100 0.216 0.000 0.952 450 R CB -1.065 29.292 30.300 0.095 0.000 0.854 450 R HN 0.619 nan 8.270 nan 0.000 0.436 451 G N -0.790 108.081 108.800 0.120 0.000 2.476 451 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 451 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 451 G C 1.482 176.419 174.900 0.062 0.000 1.164 451 G CA 1.185 46.334 45.100 0.081 0.000 0.768 451 G HN 0.445 nan 8.290 nan 0.000 0.560 452 S N 0.369 116.078 115.700 0.014 0.000 2.461 452 S HA -0.092 4.378 4.470 -0.000 0.000 0.246 452 S C 1.661 176.098 174.600 -0.273 0.000 1.007 452 S CA 1.002 59.116 58.200 -0.143 0.000 0.976 452 S CB -0.320 62.785 63.200 -0.158 0.000 0.763 452 S HN 0.403 nan 8.310 nan 0.000 0.508 453 F N 0.914 120.900 119.950 0.060 0.000 2.754 453 F HA 0.330 4.857 4.527 -0.000 0.000 0.297 453 F C 1.766 177.577 175.800 0.017 0.000 1.122 453 F CA 0.347 58.371 58.000 0.039 0.000 1.400 453 F CB -0.429 38.593 39.000 0.037 0.000 1.117 453 F HN 0.308 nan 8.300 nan 0.000 0.587 454 G N 0.268 109.158 108.800 0.151 0.000 2.642 454 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.231 454 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.231 454 G C -0.706 174.251 174.900 0.095 0.000 1.338 454 G CA -0.361 44.794 45.100 0.092 0.000 0.883 454 G HN 0.147 nan 8.290 nan 0.000 0.570 455 D N 0.599 121.040 120.400 0.068 0.000 2.435 455 D HA 0.359 4.999 4.640 -0.000 0.000 0.230 455 D C 1.889 178.230 176.300 0.068 0.000 1.215 455 D CA 0.376 54.411 54.000 0.060 0.000 0.947 455 D CB 0.668 41.497 40.800 0.048 0.000 1.048 455 D HN 0.321 nan 8.370 nan 0.000 0.512 456 V N 3.698 123.652 119.914 0.067 0.000 2.295 456 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 456 V C 2.377 178.507 176.094 0.059 0.000 1.049 456 V CA 1.795 64.130 62.300 0.059 0.000 1.024 456 V CB -0.471 31.370 31.823 0.029 0.000 0.648 456 V HN 0.578 nan 8.190 nan 0.000 0.447 457 E N 0.457 120.688 120.200 0.051 0.000 2.153 457 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 457 E C 2.030 178.679 176.600 0.082 0.000 0.988 457 E CA 1.554 57.992 56.400 0.063 0.000 0.811 457 E CB -0.161 29.569 29.700 0.049 0.000 0.746 457 E HN 0.653 nan 8.360 nan 0.000 0.466 458 N N -0.430 118.313 118.700 0.073 0.000 2.142 458 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 458 N C 1.652 177.224 175.510 0.103 0.000 1.023 458 N CA 1.442 54.538 53.050 0.076 0.000 0.852 458 N CB 0.061 38.583 38.487 0.059 0.000 0.998 458 N HN 0.023 nan 8.380 nan 0.000 0.424 459 V N 0.760 120.741 119.914 0.113 0.000 2.358 459 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 459 V C 2.255 178.483 176.094 0.224 0.000 1.047 459 V CA 1.270 63.667 62.300 0.162 0.000 1.035 459 V CB -0.572 31.318 31.823 0.111 0.000 0.658 459 V HN 0.343 nan 8.190 nan 0.000 0.452 460 L N -0.583 120.742 121.223 0.171 0.000 2.056 460 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 460 L C 2.604 179.619 176.870 0.242 0.000 1.078 460 L CA 1.665 56.634 54.840 0.214 0.000 0.749 460 L CB -0.574 41.612 42.059 0.213 0.000 0.901 460 L HN 0.271 nan 8.230 nan 0.000 0.433 461 K N 0.092 120.602 120.400 0.184 0.000 2.057 461 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 461 K C 2.207 178.887 176.600 0.134 0.000 1.050 461 K CA 1.228 57.606 56.287 0.152 0.000 0.935 461 K CB -0.265 32.300 32.500 0.108 0.000 0.715 461 K HN 0.251 nan 8.250 nan 0.000 0.439 462 A N 0.314 123.211 122.820 0.128 0.000 2.084 462 A HA -0.176 4.144 4.320 -0.000 0.000 0.221 462 A C 1.238 178.786 177.584 -0.059 0.000 1.161 462 A CA 1.356 53.414 52.037 0.036 0.000 0.653 462 A CB -0.474 18.553 19.000 0.046 0.000 0.802 462 A HN 0.338 nan 8.150 nan 0.000 0.457 463 Y N -1.168 119.138 120.300 0.009 0.000 2.485 463 Y HA 0.372 4.922 4.550 -0.000 0.000 0.260 463 Y C 1.733 177.723 175.900 0.151 0.000 1.173 463 Y CA 0.032 58.126 58.100 -0.010 0.000 1.252 463 Y CB 0.129 38.576 38.460 -0.022 0.000 1.123 463 Y HN 0.416 nan 8.280 nan 0.000 0.524 464 G N 0.647 109.589 108.800 0.235 0.000 2.155 464 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.257 464 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.257 464 G C 0.134 175.191 174.900 0.262 0.000 0.983 464 G CA 0.205 45.443 45.100 0.229 0.000 0.676 464 G HN 0.274 nan 8.290 nan 0.000 0.528 465 L N 0.077 121.470 121.223 0.283 0.000 2.418 465 L HA 0.582 4.922 4.340 -0.000 0.000 0.265 465 L C 1.478 178.480 176.870 0.219 0.000 1.143 465 L CA 0.469 55.444 54.840 0.225 0.000 0.809 465 L CB 0.839 43.070 42.059 0.288 0.000 1.124 465 L HN 1.082 nan 8.230 nan 0.000 0.456 466 G N 2.082 110.935 108.800 0.088 0.000 2.741 466 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.222 466 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.222 466 G C -1.042 173.956 174.900 0.164 0.000 1.364 466 G CA -0.125 45.153 45.100 0.296 0.000 0.866 466 G HN 0.937 nan 8.290 nan 0.000 0.555 467 N N -1.071 117.737 118.700 0.179 0.000 2.367 467 N HA 0.647 5.387 4.740 -0.000 0.000 0.278 467 N C -0.221 175.354 175.510 0.108 0.000 1.117 467 N CA 1.148 54.267 53.050 0.116 0.000 0.867 467 N CB 1.810 40.347 38.487 0.082 0.000 1.649 467 N HN 1.963 nan 8.380 nan 0.000 0.479 468 S N 0.000 115.750 115.700 0.084 0.000 2.498 468 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 468 S CA 0.000 58.241 58.200 0.069 0.000 1.107 468 S CB 0.000 63.239 63.200 0.065 0.000 0.593 468 S HN 0.000 nan 8.310 nan 0.000 0.517