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 2r5j_1_K DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVT RTNIYYHAGS SRLLAVGHPY YAIKKQDSNK IAVPKVSGLQ DATA SEQUENCE YRVFRVKLPD PNKFGFPDTS FYDPASQRLV WACTGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENSNKYVGNS GTDNRECISM DYKQTQLCLI GCRPPIGEHW DATA SEQUENCE GKGTPSNANQ VKAGECPPLE LLNTVLQDGD MVDTGFGAMD FTTLQANKSD DATA SEQUENCE VPLDICSSIC KYPDYLKMVS EPYGDMLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE TVPADLYIKG TTGTLPSTSY FPTPSGSMVT SDAQIFNKPY WLQRAQGHNN DATA SEQUENCE GICWSNQLFV TVVDTTRSTN MSVCSAVSSS DSTYKNDNFK EYLRHGEEYD DATA SEQUENCE LQFIFQLCKI TLTADVMTYI HSMNPSILED WNXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX PLKNYTFWEV DLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.590 177.584 0.010 0.000 1.274 20 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 20 A CB 0.000 19.002 19.000 0.003 0.000 0.831 21 V N 1.125 120.952 119.914 -0.145 0.000 2.843 21 V HA 0.466 4.586 4.120 -0.000 0.000 0.305 21 V C 0.278 176.261 176.094 -0.185 0.000 1.065 21 V CA -0.054 62.105 62.300 -0.235 0.000 1.116 21 V CB 1.126 32.514 31.823 -0.727 0.000 0.968 21 V HN 0.850 nan 8.190 nan 0.000 0.487 22 V N 2.552 122.490 119.914 0.039 0.000 2.841 22 V HA 0.398 4.518 4.120 -0.000 0.000 0.310 22 V C 0.038 176.353 176.094 0.369 0.000 1.090 22 V CA -0.632 61.758 62.300 0.149 0.000 0.930 22 V CB 2.176 34.016 31.823 0.028 0.000 1.014 22 V HN 0.950 nan 8.190 nan 0.000 0.425 23 S N 1.901 117.848 115.700 0.412 0.000 2.549 23 S HA 0.033 4.503 4.470 -0.000 0.000 0.286 23 S C 1.612 176.301 174.600 0.148 0.000 1.314 23 S CA 0.441 58.843 58.200 0.336 0.000 1.062 23 S CB 1.014 64.344 63.200 0.216 0.000 0.865 23 S HN 1.290 nan 8.310 nan 0.000 0.498 24 T N 1.490 116.078 114.554 0.056 0.000 2.946 24 T HA -0.131 4.219 4.350 -0.000 0.000 0.271 24 T C 0.892 175.347 174.700 -0.408 0.000 1.104 24 T CA 1.486 63.324 62.100 -0.437 0.000 1.114 24 T CB -0.558 68.184 68.868 -0.210 0.000 0.867 24 T HN 0.691 nan 8.240 nan 0.000 0.513 25 D N 1.452 121.773 120.400 -0.132 0.000 2.309 25 D HA -0.066 4.574 4.640 -0.000 0.000 0.212 25 D C 2.067 178.330 176.300 -0.062 0.000 0.968 25 D CA 0.725 54.678 54.000 -0.079 0.000 0.882 25 D CB -0.175 40.618 40.800 -0.011 0.000 0.918 25 D HN 0.540 nan 8.370 nan 0.000 0.503 26 E N -0.319 119.852 120.200 -0.048 0.000 2.371 26 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 26 E C 0.821 177.508 176.600 0.145 0.000 1.012 26 E CA 0.418 56.853 56.400 0.059 0.000 0.860 26 E CB 0.156 29.922 29.700 0.110 0.000 0.811 26 E HN 0.633 nan 8.360 nan 0.000 0.502 27 Y N -3.274 117.063 120.300 0.062 0.000 2.767 27 Y HA 0.453 5.003 4.550 -0.000 0.000 0.254 27 Y C 0.045 176.027 175.900 0.137 0.000 1.133 27 Y CA -0.522 57.632 58.100 0.088 0.000 1.225 27 Y CB 0.388 38.909 38.460 0.102 0.000 1.312 27 Y HN -0.315 nan 8.280 nan 0.000 0.560 28 V N 1.891 121.770 119.914 -0.058 0.000 2.447 28 V HA 0.326 4.446 4.120 -0.000 0.000 0.292 28 V C -0.240 175.832 176.094 -0.036 0.000 1.021 28 V CA -0.542 61.742 62.300 -0.027 0.000 0.850 28 V CB 1.672 33.414 31.823 -0.135 0.000 1.005 28 V HN 0.347 nan 8.190 nan 0.000 0.426 29 T N 6.065 120.616 114.554 -0.005 0.000 2.832 29 T HA 0.398 4.748 4.350 -0.000 0.000 0.296 29 T C 0.250 174.920 174.700 -0.051 0.000 0.968 29 T CA -0.469 61.619 62.100 -0.020 0.000 1.107 29 T CB 0.477 69.345 68.868 -0.001 0.000 0.916 29 T HN 0.438 nan 8.240 nan 0.000 0.517 30 R N 2.119 122.588 120.500 -0.052 0.000 2.459 30 R HA 0.554 4.894 4.340 -0.000 0.000 0.281 30 R C 0.688 176.947 176.300 -0.068 0.000 1.050 30 R CA -0.532 55.527 56.100 -0.069 0.000 1.055 30 R CB 0.961 31.238 30.300 -0.040 0.000 1.045 30 R HN 0.812 nan 8.270 nan 0.000 0.495 31 T N -2.759 111.732 114.554 -0.104 0.000 2.910 31 T HA 0.256 4.606 4.350 -0.000 0.000 0.287 31 T C 0.420 175.078 174.700 -0.069 0.000 1.050 31 T CA -0.856 61.200 62.100 -0.074 0.000 1.011 31 T CB 1.406 70.226 68.868 -0.079 0.000 1.195 31 T HN 0.556 nan 8.240 nan 0.000 0.540 32 N N 0.213 118.929 118.700 0.027 0.000 2.346 32 N HA 0.191 4.931 4.740 -0.000 0.000 0.225 32 N C -0.434 175.164 175.510 0.147 0.000 1.144 32 N CA -0.252 52.881 53.050 0.138 0.000 0.837 32 N CB -0.018 38.571 38.487 0.169 0.000 1.069 32 N HN 0.452 nan 8.380 nan 0.000 0.487 33 I N 1.950 122.497 120.570 -0.040 0.000 2.306 33 I HA 0.188 4.358 4.170 -0.000 0.000 0.288 33 I C -0.694 175.392 176.117 -0.051 0.000 1.036 33 I CA -0.519 60.805 61.300 0.040 0.000 1.221 33 I CB -0.720 37.309 38.000 0.048 0.000 1.385 33 I HN -0.027 nan 8.210 nan 0.000 0.472 34 Y N 6.009 126.418 120.300 0.181 0.000 2.364 34 Y HA 0.553 5.103 4.550 -0.000 0.000 0.340 34 Y C -0.423 175.470 175.900 -0.010 0.000 0.975 34 Y CA -0.675 57.474 58.100 0.082 0.000 1.089 34 Y CB 1.689 40.053 38.460 -0.160 0.000 1.192 34 Y HN 0.342 nan 8.280 nan 0.000 0.454 35 Y N 1.362 121.700 120.300 0.063 0.000 2.524 35 Y HA 0.349 4.899 4.550 -0.000 0.000 0.344 35 Y C -0.003 175.695 175.900 -0.335 0.000 1.012 35 Y CA -1.073 56.975 58.100 -0.087 0.000 1.068 35 Y CB 1.518 39.904 38.460 -0.124 0.000 1.249 35 Y HN 0.599 nan 8.280 nan 0.000 0.468 36 H N 1.369 120.219 119.070 -0.366 0.000 2.544 36 H HA 0.881 5.437 4.556 -0.000 0.000 0.342 36 H C -1.536 173.370 175.328 -0.703 0.000 1.185 36 H CA -0.413 55.293 56.048 -0.571 0.000 1.264 36 H CB 1.702 30.949 29.762 -0.859 0.000 1.607 36 H HN 0.806 nan 8.280 nan 0.000 0.550 37 A N 1.517 123.594 122.820 -1.239 0.000 2.566 37 A HA 0.616 4.936 4.320 -0.000 0.000 0.297 37 A C -1.029 176.271 177.584 -0.473 0.000 1.059 37 A CA 0.035 51.664 52.037 -0.680 0.000 0.691 37 A CB 1.632 20.245 19.000 -0.644 0.000 1.282 37 A HN 0.949 nan 8.150 nan 0.000 0.401 38 G N 0.077 108.826 108.800 -0.086 0.000 2.673 38 G HA2 0.675 4.635 3.960 -0.000 0.000 0.292 38 G HA3 0.675 4.635 3.960 -0.000 0.000 0.292 38 G C -0.392 174.546 174.900 0.064 0.000 1.450 38 G CA 0.203 45.303 45.100 0.001 0.000 0.837 38 G HN 1.737 nan 8.290 nan 0.000 0.505 39 S N 0.079 115.797 115.700 0.029 0.000 2.576 39 S HA 0.551 5.021 4.470 -0.000 0.000 0.276 39 S C 1.012 175.620 174.600 0.014 0.000 1.339 39 S CA 0.189 58.396 58.200 0.012 0.000 1.039 39 S CB 1.130 64.287 63.200 -0.072 0.000 0.902 39 S HN 1.695 nan 8.310 nan 0.000 0.516 40 S N 1.873 117.598 115.700 0.042 0.000 2.617 40 S HA 0.226 4.696 4.470 -0.000 0.000 0.259 40 S C 0.353 174.968 174.600 0.024 0.000 1.301 40 S CA -0.993 57.236 58.200 0.049 0.000 0.984 40 S CB 0.120 63.363 63.200 0.072 0.000 0.954 40 S HN 0.931 nan 8.310 nan 0.000 0.572 41 R N 0.111 120.629 120.500 0.030 0.000 2.523 41 R HA 0.009 4.349 4.340 -0.000 0.000 0.281 41 R C -1.005 175.345 176.300 0.083 0.000 0.969 41 R CA 0.268 56.387 56.100 0.032 0.000 1.093 41 R CB -0.426 29.897 30.300 0.038 0.000 0.917 41 R HN 0.676 nan 8.270 nan 0.000 0.408 42 L N 7.323 128.593 121.223 0.080 0.000 2.283 42 L HA 0.335 4.675 4.340 -0.000 0.000 0.281 42 L C -0.451 176.611 176.870 0.319 0.000 1.033 42 L CA -0.464 54.489 54.840 0.190 0.000 0.848 42 L CB 0.927 42.879 42.059 -0.177 0.000 1.226 42 L HN 0.540 nan 8.230 nan 0.000 0.429 43 L N 2.863 124.312 121.223 0.377 0.000 2.332 43 L HA 0.949 5.289 4.340 -0.000 0.000 0.269 43 L C 0.040 177.164 176.870 0.423 0.000 1.016 43 L CA -0.608 54.443 54.840 0.352 0.000 0.809 43 L CB 1.865 44.046 42.059 0.203 0.000 1.280 43 L HN 0.619 nan 8.230 nan 0.000 0.447 44 A N 1.166 124.173 122.820 0.311 0.000 2.512 44 A HA 0.703 5.023 4.320 -0.000 0.000 0.294 44 A C -1.562 176.101 177.584 0.131 0.000 1.054 44 A CA -0.407 51.750 52.037 0.200 0.000 0.756 44 A CB 1.337 20.494 19.000 0.263 0.000 1.293 44 A HN 0.308 nan 8.150 nan 0.000 0.395 45 V N 1.250 121.209 119.914 0.075 0.000 2.789 45 V HA 0.983 5.103 4.120 -0.000 0.000 0.311 45 V C 0.583 176.707 176.094 0.050 0.000 1.073 45 V CA 0.312 62.654 62.300 0.069 0.000 0.921 45 V CB 1.810 33.674 31.823 0.068 0.000 1.009 45 V HN 1.916 nan 8.190 nan 0.000 0.426 46 G N 1.227 110.063 108.800 0.061 0.000 2.490 46 G HA2 0.389 4.349 3.960 -0.000 0.000 0.308 46 G HA3 0.389 4.349 3.960 -0.000 0.000 0.308 46 G C -1.866 173.095 174.900 0.103 0.000 1.286 46 G CA -0.606 44.540 45.100 0.078 0.000 0.825 46 G HN 0.756 nan 8.290 nan 0.000 0.479 47 H N 1.134 120.198 119.070 -0.010 0.000 2.472 47 H HA 0.478 5.033 4.556 -0.000 0.000 0.335 47 H C -1.617 173.630 175.328 -0.135 0.000 1.136 47 H CA -1.817 54.173 56.048 -0.096 0.000 1.264 47 H CB 2.685 32.389 29.762 -0.097 0.000 1.486 47 H HN 0.190 nan 8.280 nan 0.000 0.517 48 P HA -0.030 nan 4.420 nan 0.000 0.235 48 P C 0.548 177.946 177.300 0.164 0.000 1.177 48 P CA 0.998 64.090 63.100 -0.013 0.000 0.785 48 P CB 0.329 31.901 31.700 -0.213 0.000 0.885 49 Y N -0.608 119.823 120.300 0.217 0.000 2.500 49 Y HA 0.129 4.679 4.550 -0.000 0.000 0.284 49 Y C 0.954 176.810 175.900 -0.073 0.000 1.118 49 Y CA -0.597 57.474 58.100 -0.050 0.000 1.241 49 Y CB 0.181 38.524 38.460 -0.195 0.000 1.171 49 Y HN -0.082 nan 8.280 nan 0.000 0.540 50 Y N -1.782 118.536 120.300 0.030 0.000 2.656 50 Y HA 0.787 5.337 4.550 -0.000 0.000 0.334 50 Y C -1.080 174.733 175.900 -0.145 0.000 1.179 50 Y CA -3.049 55.010 58.100 -0.069 0.000 1.050 50 Y CB 0.361 38.760 38.460 -0.102 0.000 1.308 50 Y HN -0.144 nan 8.280 nan 0.000 0.456 51 A N 1.817 124.773 122.820 0.227 0.000 2.327 51 A HA 0.732 5.052 4.320 -0.000 0.000 0.283 51 A C -0.816 176.833 177.584 0.108 0.000 1.127 51 A CA -0.653 51.465 52.037 0.135 0.000 0.810 51 A CB -0.060 18.985 19.000 0.075 0.000 1.066 51 A HN 0.650 nan 8.150 nan 0.000 0.492 52 I N 2.826 123.458 120.570 0.103 0.000 2.337 52 I HA 0.211 4.381 4.170 -0.000 0.000 0.285 52 I C 0.493 176.633 176.117 0.039 0.000 1.041 52 I CA -0.279 61.066 61.300 0.075 0.000 1.199 52 I CB 0.880 38.960 38.000 0.133 0.000 1.370 52 I HN 0.722 nan 8.210 nan 0.000 0.470 53 K N 4.665 125.067 120.400 0.003 0.000 2.098 53 K HA 0.468 4.788 4.320 -0.000 0.000 0.257 53 K C -0.086 176.514 176.600 0.000 0.000 0.999 53 K CA -1.120 55.166 56.287 -0.002 0.000 0.924 53 K CB 1.026 33.516 32.500 -0.016 0.000 1.028 53 K HN 0.166 nan 8.250 nan 0.000 0.466 54 K N 1.124 121.525 120.400 0.001 0.000 2.591 54 K HA -0.181 4.139 4.320 -0.000 0.000 0.280 54 K C 0.953 177.550 176.600 -0.005 0.000 0.964 54 K CA 0.654 56.942 56.287 0.002 0.000 1.014 54 K CB 0.560 33.059 32.500 -0.001 0.000 0.877 54 K HN 0.721 nan 8.250 nan 0.000 0.502 55 Q N 1.724 121.524 119.800 -0.000 0.000 2.152 55 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 55 Q C 0.406 176.399 176.000 -0.012 0.000 0.985 55 Q CA 2.427 58.226 55.803 -0.006 0.000 0.863 55 Q CB 0.144 28.883 28.738 0.001 0.000 0.904 55 Q HN 0.790 nan 8.270 nan 0.000 0.422 56 D N -1.817 118.577 120.400 -0.010 0.000 2.716 56 D HA 0.067 4.707 4.640 -0.000 0.000 0.273 56 D C 0.423 176.715 176.300 -0.013 0.000 1.024 56 D CA 0.300 54.293 54.000 -0.012 0.000 0.944 56 D CB -0.312 40.483 40.800 -0.009 0.000 1.186 56 D HN 0.106 nan 8.370 nan 0.000 0.485 57 S N 1.249 116.942 115.700 -0.011 0.000 2.580 57 S HA -0.015 4.455 4.470 -0.000 0.000 0.261 57 S C 1.011 175.602 174.600 -0.015 0.000 1.366 57 S CA -0.127 58.066 58.200 -0.012 0.000 0.996 57 S CB 0.377 63.572 63.200 -0.009 0.000 0.902 57 S HN 0.283 nan 8.310 nan 0.000 0.566 58 N N 1.158 119.848 118.700 -0.016 0.000 2.187 58 N HA 0.054 4.794 4.740 -0.000 0.000 0.212 58 N C -0.203 175.298 175.510 -0.016 0.000 1.152 58 N CA -0.337 52.702 53.050 -0.018 0.000 0.872 58 N CB 0.090 38.565 38.487 -0.019 0.000 1.025 58 N HN 0.461 nan 8.380 nan 0.000 0.514 59 K N 1.718 122.111 120.400 -0.013 0.000 2.322 59 K HA 0.129 4.449 4.320 -0.000 0.000 0.283 59 K C 0.100 176.695 176.600 -0.009 0.000 1.042 59 K CA -0.530 55.750 56.287 -0.012 0.000 0.958 59 K CB 0.775 33.268 32.500 -0.011 0.000 0.984 59 K HN -0.057 nan 8.250 nan 0.000 0.473 60 I N 4.334 124.898 120.570 -0.009 0.000 2.742 60 I HA -0.120 4.050 4.170 -0.000 0.000 0.287 60 I C 1.129 177.246 176.117 -0.000 0.000 1.186 60 I CA 0.610 61.908 61.300 -0.003 0.000 1.417 60 I CB 0.123 38.118 38.000 -0.008 0.000 1.377 60 I HN 0.815 nan 8.210 nan 0.000 0.556 61 A N 7.210 130.036 122.820 0.010 0.000 1.938 61 A HA 0.279 4.599 4.320 -0.000 0.000 0.207 61 A C 0.644 178.242 177.584 0.023 0.000 1.292 61 A CA 0.384 52.430 52.037 0.015 0.000 0.700 61 A CB 0.314 19.326 19.000 0.020 0.000 0.947 61 A HN 0.441 nan 8.150 nan 0.000 0.476 62 V N 2.419 122.358 119.914 0.042 0.000 2.483 62 V HA 0.364 4.484 4.120 -0.000 0.000 0.297 62 V C -2.467 173.662 176.094 0.058 0.000 1.027 62 V CA -1.850 60.482 62.300 0.054 0.000 0.855 62 V CB 1.825 33.702 31.823 0.090 0.000 0.995 62 V HN 0.329 nan 8.190 nan 0.000 0.424 63 P HA 0.149 nan 4.420 nan 0.000 0.282 63 P C -0.927 176.411 177.300 0.062 0.000 1.286 63 P CA -0.507 62.611 63.100 0.030 0.000 0.777 63 P CB 1.079 32.772 31.700 -0.012 0.000 1.184 64 K N 0.395 120.827 120.400 0.054 0.000 2.478 64 K HA 0.355 4.675 4.320 -0.000 0.000 0.236 64 K C -1.360 175.270 176.600 0.051 0.000 1.021 64 K CA -0.565 55.768 56.287 0.078 0.000 1.010 64 K CB 0.153 32.709 32.500 0.093 0.000 1.331 64 K HN 0.085 nan 8.250 nan 0.000 0.470 65 V N 2.995 122.928 119.914 0.031 0.000 2.334 65 V HA 0.220 4.340 4.120 -0.000 0.000 0.267 65 V C -0.082 175.946 176.094 -0.110 0.000 1.040 65 V CA -0.439 61.839 62.300 -0.036 0.000 0.866 65 V CB 0.796 32.596 31.823 -0.039 0.000 1.019 65 V HN 0.694 nan 8.190 nan 0.000 0.468 66 S N 3.344 119.000 115.700 -0.073 0.000 2.600 66 S HA 0.674 5.144 4.470 -0.000 0.000 0.300 66 S C 1.207 175.808 174.600 0.001 0.000 1.087 66 S CA 0.146 58.370 58.200 0.039 0.000 0.965 66 S CB 1.974 65.278 63.200 0.173 0.000 1.089 66 S HN 0.789 nan 8.310 nan 0.000 0.496 67 G N 1.493 110.473 108.800 0.300 0.000 2.464 67 G HA2 0.075 4.035 3.960 -0.000 0.000 0.217 67 G HA3 0.075 4.035 3.960 -0.000 0.000 0.217 67 G C 0.546 175.591 174.900 0.242 0.000 1.138 67 G CA 0.268 45.573 45.100 0.342 0.000 0.793 67 G HN 0.615 nan 8.290 nan 0.000 0.539 68 L N 0.947 122.321 121.223 0.251 0.000 2.939 68 L HA 0.323 4.663 4.340 -0.000 0.000 0.239 68 L C 0.602 177.577 176.870 0.174 0.000 1.325 68 L CA 0.100 55.073 54.840 0.222 0.000 1.170 68 L CB -0.183 42.064 42.059 0.313 0.000 1.538 68 L HN 0.160 nan 8.230 nan 0.000 0.452 69 Q N -1.366 118.517 119.800 0.139 0.000 2.458 69 Q HA 0.465 4.805 4.340 -0.000 0.000 0.282 69 Q C -1.280 174.789 176.000 0.115 0.000 1.106 69 Q CA -0.931 54.968 55.803 0.160 0.000 0.814 69 Q CB 2.351 31.176 28.738 0.146 0.000 1.425 69 Q HN 0.044 nan 8.270 nan 0.000 0.437 70 Y N 0.272 120.603 120.300 0.051 0.000 2.316 70 Y HA 0.367 4.917 4.550 -0.000 0.000 0.324 70 Y C 0.163 176.021 175.900 -0.069 0.000 1.267 70 Y CA -0.193 57.916 58.100 0.015 0.000 1.311 70 Y CB 0.983 39.454 38.460 0.018 0.000 1.267 70 Y HN 0.173 nan 8.280 nan 0.000 0.516 71 R N 1.975 122.464 120.500 -0.017 0.000 2.576 71 R HA 0.317 4.657 4.340 -0.000 0.000 0.283 71 R C -1.903 174.086 176.300 -0.520 0.000 1.493 71 R CA -0.543 55.281 56.100 -0.459 0.000 1.170 71 R CB 0.978 30.789 30.300 -0.815 0.000 1.189 71 R HN 0.416 nan 8.270 nan 0.000 0.542 72 V N 5.104 124.857 119.914 -0.268 0.000 2.304 72 V HA 0.355 4.475 4.120 -0.000 0.000 0.262 72 V C 0.158 176.171 176.094 -0.134 0.000 1.061 72 V CA -0.380 61.888 62.300 -0.053 0.000 0.872 72 V CB -0.094 31.877 31.823 0.246 0.000 1.077 72 V HN 0.371 nan 8.190 nan 0.000 0.480 73 F N 3.480 123.439 119.950 0.015 0.000 2.396 73 F HA 0.529 5.056 4.527 -0.000 0.000 0.343 73 F C 0.823 176.454 175.800 -0.282 0.000 1.104 73 F CA -0.462 57.496 58.000 -0.071 0.000 1.161 73 F CB 1.082 39.986 39.000 -0.161 0.000 1.146 73 F HN 0.305 nan 8.300 nan 0.000 0.522 74 R N 3.000 123.413 120.500 -0.146 0.000 2.272 74 R HA 0.478 4.817 4.340 -0.000 0.000 0.323 74 R C -1.742 174.357 176.300 -0.335 0.000 1.002 74 R CA -0.435 55.273 56.100 -0.655 0.000 0.900 74 R CB 0.796 30.802 30.300 -0.489 0.000 1.151 74 R HN 0.551 nan 8.270 nan 0.000 0.507 75 V N 6.049 125.725 119.914 -0.397 0.000 2.356 75 V HA 0.151 4.270 4.120 -0.000 0.000 0.258 75 V C 0.288 176.217 176.094 -0.275 0.000 1.065 75 V CA -0.431 61.700 62.300 -0.281 0.000 0.935 75 V CB 0.681 32.276 31.823 -0.380 0.000 1.061 75 V HN 0.561 nan 8.190 nan 0.000 0.484 76 K N 5.561 125.853 120.400 -0.180 0.000 2.339 76 K HA 0.441 4.761 4.320 -0.000 0.000 0.286 76 K C -0.489 175.999 176.600 -0.188 0.000 1.050 76 K CA 0.020 56.216 56.287 -0.151 0.000 0.956 76 K CB 1.173 33.624 32.500 -0.080 0.000 0.990 76 K HN 0.527 nan 8.250 nan 0.000 0.475 77 L N 5.383 126.458 121.223 -0.246 0.000 2.331 77 L HA 0.420 4.760 4.340 -0.000 0.000 0.275 77 L C -1.895 174.759 176.870 -0.360 0.000 1.022 77 L CA -2.315 52.278 54.840 -0.411 0.000 0.812 77 L CB 1.603 43.343 42.059 -0.531 0.000 1.257 77 L HN 0.390 nan 8.230 nan 0.000 0.435 78 P HA -0.073 nan 4.420 nan 0.000 0.268 78 P C -0.916 176.245 177.300 -0.232 0.000 1.205 78 P CA -0.146 62.690 63.100 -0.440 0.000 0.771 78 P CB 0.870 32.078 31.700 -0.819 0.000 0.858 79 D N 5.171 125.506 120.400 -0.109 0.000 2.349 79 D HA 0.012 4.652 4.640 -0.000 0.000 0.266 79 D C -0.973 175.273 176.300 -0.091 0.000 1.293 79 D CA -1.715 52.259 54.000 -0.043 0.000 0.926 79 D CB 0.626 41.449 40.800 0.039 0.000 1.090 79 D HN 0.252 nan 8.370 nan 0.000 0.502 80 P HA -0.154 nan 4.420 nan 0.000 0.227 80 P C 0.641 177.975 177.300 0.057 0.000 1.145 80 P CA 0.623 63.584 63.100 -0.233 0.000 0.769 80 P CB 0.449 31.602 31.700 -0.912 0.000 0.769 81 N N 0.606 119.317 118.700 0.018 0.000 2.290 81 N HA -0.042 4.698 4.740 -0.000 0.000 0.179 81 N C 1.645 177.208 175.510 0.088 0.000 1.016 81 N CA 0.968 54.052 53.050 0.058 0.000 0.871 81 N CB -0.108 38.402 38.487 0.038 0.000 0.987 81 N HN 0.349 nan 8.380 nan 0.000 0.431 82 K N 0.218 120.676 120.400 0.098 0.000 2.031 82 K HA 0.003 4.323 4.320 -0.000 0.000 0.205 82 K C 0.519 177.167 176.600 0.081 0.000 1.049 82 K CA 0.266 56.605 56.287 0.086 0.000 0.939 82 K CB -0.224 32.335 32.500 0.099 0.000 0.717 82 K HN -0.050 nan 8.250 nan 0.000 0.438 83 F N 1.655 121.521 119.950 -0.139 0.000 2.629 83 F HA 0.024 4.551 4.527 -0.000 0.000 0.369 83 F C 1.234 176.717 175.800 -0.528 0.000 1.125 83 F CA 0.266 58.059 58.000 -0.347 0.000 1.330 83 F CB 0.355 39.148 39.000 -0.346 0.000 1.071 83 F HN 0.003 nan 8.300 nan 0.000 0.595 84 G N 3.735 112.136 108.800 -0.665 0.000 2.371 84 G HA2 0.577 4.537 3.960 -0.000 0.000 0.326 84 G HA3 0.577 4.537 3.960 -0.000 0.000 0.326 84 G C -1.782 172.656 174.900 -0.769 0.000 1.127 84 G CA -0.431 44.367 45.100 -0.504 0.000 0.885 84 G HN 0.434 nan 8.290 nan 0.000 0.477 85 F N 1.477 121.429 119.950 0.003 0.000 2.578 85 F HA 0.424 4.951 4.527 -0.000 0.000 0.311 85 F C -1.331 174.461 175.800 -0.013 0.000 1.094 85 F CA -1.672 56.338 58.000 0.018 0.000 0.923 85 F CB 3.259 42.251 39.000 -0.014 0.000 1.230 85 F HN 0.348 nan 8.300 nan 0.000 0.450 86 P HA -0.044 nan 4.420 nan 0.000 0.220 86 P C 0.637 177.940 177.300 0.005 0.000 1.154 86 P CA 1.159 64.309 63.100 0.082 0.000 0.830 86 P CB 0.415 32.176 31.700 0.102 0.000 0.803 87 D N 0.392 120.818 120.400 0.045 0.000 2.340 87 D HA -0.024 4.616 4.640 -0.000 0.000 0.220 87 D C 0.062 176.187 176.300 -0.291 0.000 1.039 87 D CA 0.444 54.423 54.000 -0.036 0.000 0.866 87 D CB -0.424 40.460 40.800 0.139 0.000 0.913 87 D HN 0.097 nan 8.370 nan 0.000 0.523 88 T N -1.696 112.740 114.554 -0.197 0.000 3.471 88 T HA 0.309 4.659 4.350 -0.000 0.000 0.355 88 T C 0.999 175.577 174.700 -0.202 0.000 1.775 88 T CA -0.236 61.726 62.100 -0.231 0.000 1.305 88 T CB 0.602 69.386 68.868 -0.139 0.000 1.171 88 T HN -0.021 nan 8.240 nan 0.000 0.776 89 S N 1.033 116.380 115.700 -0.589 0.000 2.731 89 S HA 0.159 4.628 4.470 -0.000 0.000 0.244 89 S C 0.844 175.250 174.600 -0.323 0.000 1.084 89 S CA -0.581 57.370 58.200 -0.415 0.000 0.877 89 S CB -0.583 62.387 63.200 -0.383 0.000 0.798 89 S HN 0.574 nan 8.310 nan 0.000 0.496 90 F N 2.083 122.090 119.950 0.095 0.000 2.913 90 F HA 0.650 5.177 4.527 -0.000 0.000 0.293 90 F C -0.186 175.691 175.800 0.128 0.000 1.223 90 F CA -2.095 55.953 58.000 0.081 0.000 1.393 90 F CB -1.251 37.783 39.000 0.057 0.000 1.102 90 F HN 0.281 nan 8.300 nan 0.000 0.524 91 Y N 0.466 120.803 120.300 0.061 0.000 2.433 91 Y HA 0.534 5.084 4.550 -0.000 0.000 0.337 91 Y C -1.804 174.093 175.900 -0.005 0.000 1.026 91 Y CA -2.188 55.940 58.100 0.047 0.000 1.037 91 Y CB 1.591 40.051 38.460 -0.000 0.000 1.245 91 Y HN 0.077 nan 8.280 nan 0.000 0.443 92 D N 8.159 128.271 120.400 -0.480 0.000 2.454 92 D HA 0.410 5.050 4.640 -0.000 0.000 0.225 92 D C -2.124 173.710 176.300 -0.776 0.000 1.081 92 D CA -2.657 51.033 54.000 -0.517 0.000 0.864 92 D CB 1.907 42.574 40.800 -0.222 0.000 1.040 92 D HN 0.348 nan 8.370 nan 0.000 0.517 93 P HA -0.035 nan 4.420 nan 0.000 0.222 93 P C 1.141 178.280 177.300 -0.270 0.000 1.153 93 P CA 0.529 63.322 63.100 -0.510 0.000 0.798 93 P CB 0.214 31.762 31.700 -0.254 0.000 0.796 94 A N 1.206 123.895 122.820 -0.218 0.000 1.884 94 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 94 A C 2.328 179.840 177.584 -0.120 0.000 1.197 94 A CA 3.168 55.126 52.037 -0.132 0.000 0.637 94 A CB -1.468 17.470 19.000 -0.105 0.000 0.827 94 A HN 0.409 nan 8.150 nan 0.000 0.450 95 S N -1.622 113.991 115.700 -0.145 0.000 2.512 95 S HA 0.236 4.706 4.470 -0.000 0.000 0.216 95 S C 0.479 175.019 174.600 -0.099 0.000 1.006 95 S CA -0.228 57.914 58.200 -0.096 0.000 0.915 95 S CB 0.014 63.179 63.200 -0.059 0.000 0.824 95 S HN 0.675 nan 8.310 nan 0.000 0.497 96 Q N 0.814 120.518 119.800 -0.161 0.000 2.306 96 Q HA 0.671 5.011 4.340 -0.000 0.000 0.265 96 Q C -0.751 175.182 176.000 -0.112 0.000 1.022 96 Q CA -1.119 54.631 55.803 -0.087 0.000 0.853 96 Q CB 1.461 30.250 28.738 0.085 0.000 1.327 96 Q HN -0.022 nan 8.270 nan 0.000 0.449 97 R N 0.883 121.225 120.500 -0.262 0.000 2.944 97 R HA 0.647 4.987 4.340 -0.000 0.000 0.233 97 R C -0.816 175.253 176.300 -0.384 0.000 1.346 97 R CA -0.979 54.795 56.100 -0.544 0.000 1.082 97 R CB 0.783 30.133 30.300 -1.585 0.000 1.434 97 R HN 0.627 nan 8.270 nan 0.000 0.510 98 L N 0.876 121.845 121.223 -0.424 0.000 2.406 98 L HA 0.499 4.839 4.340 -0.000 0.000 0.272 98 L C -0.622 176.127 176.870 -0.203 0.000 0.980 98 L CA -0.942 53.703 54.840 -0.326 0.000 0.831 98 L CB 2.095 43.905 42.059 -0.416 0.000 1.253 98 L HN 0.111 nan 8.230 nan 0.000 0.406 99 V N 0.317 120.128 119.914 -0.171 0.000 2.850 99 V HA 0.392 4.512 4.120 -0.000 0.000 0.315 99 V C -0.707 175.178 176.094 -0.348 0.000 1.064 99 V CA -0.684 61.535 62.300 -0.135 0.000 0.979 99 V CB 2.029 33.748 31.823 -0.173 0.000 1.039 99 V HN 0.610 nan 8.190 nan 0.000 0.452 100 W N 1.319 122.494 121.300 -0.208 0.000 2.322 100 W HA 0.614 5.274 4.660 -0.000 0.000 0.307 100 W C 0.285 176.701 176.519 -0.172 0.000 1.220 100 W CA -0.307 56.891 57.345 -0.244 0.000 1.210 100 W CB 1.026 30.207 29.460 -0.465 0.000 1.223 100 W HN 0.683 nan 8.180 nan 0.000 0.511 101 A N 4.117 127.067 122.820 0.216 0.000 2.260 101 A HA 0.388 4.708 4.320 -0.000 0.000 0.308 101 A C -0.506 177.250 177.584 0.288 0.000 1.254 101 A CA -0.609 51.498 52.037 0.117 0.000 0.874 101 A CB 0.318 19.321 19.000 0.006 0.000 1.153 101 A HN 0.771 nan 8.150 nan 0.000 0.527 102 C N 2.861 122.303 119.300 0.237 0.000 2.585 102 C HA 0.495 4.955 4.460 -0.000 0.000 0.406 102 C C 1.470 176.485 174.990 0.042 0.000 1.312 102 C CA 0.649 59.794 59.018 0.210 0.000 1.924 102 C CB -0.544 27.293 27.740 0.162 0.000 2.578 102 C HN 0.894 nan 8.230 nan 0.000 0.580 103 T N 3.192 117.740 114.554 -0.010 0.000 3.019 103 T HA 0.368 4.718 4.350 -0.000 0.000 0.247 103 T C 0.542 175.347 174.700 0.176 0.000 0.992 103 T CA 0.611 62.782 62.100 0.119 0.000 1.036 103 T CB 0.474 69.459 68.868 0.194 0.000 1.063 103 T HN 0.987 nan 8.240 nan 0.000 0.476 104 G N 0.915 109.698 108.800 -0.028 0.000 2.768 104 G HA2 0.546 4.506 3.960 -0.000 0.000 0.297 104 G HA3 0.546 4.506 3.960 -0.000 0.000 0.297 104 G C -1.552 173.074 174.900 -0.457 0.000 1.430 104 G CA -0.478 44.480 45.100 -0.237 0.000 1.030 104 G HN 0.146 nan 8.290 nan 0.000 0.553 105 V N 1.262 120.906 119.914 -0.449 0.000 2.612 105 V HA 0.619 4.739 4.120 -0.000 0.000 0.301 105 V C -0.161 175.504 176.094 -0.715 0.000 1.046 105 V CA -0.804 61.185 62.300 -0.518 0.000 0.946 105 V CB 1.944 33.667 31.823 -0.167 0.000 1.003 105 V HN 0.699 nan 8.190 nan 0.000 0.459 106 E N 1.973 121.720 120.200 -0.755 0.000 2.191 106 E HA 0.440 4.790 4.350 -0.000 0.000 0.263 106 E C -1.625 174.668 176.600 -0.511 0.000 0.881 106 E CA -0.379 55.619 56.400 -0.669 0.000 0.757 106 E CB 2.247 31.620 29.700 -0.544 0.000 1.147 106 E HN 0.442 nan 8.360 nan 0.000 0.414 107 V N 3.451 123.137 119.914 -0.380 0.000 2.220 107 V HA 0.252 4.372 4.120 -0.000 0.000 0.265 107 V C 0.704 176.673 176.094 -0.207 0.000 1.078 107 V CA -0.718 61.449 62.300 -0.221 0.000 0.872 107 V CB 0.922 32.723 31.823 -0.037 0.000 1.121 107 V HN 0.721 nan 8.190 nan 0.000 0.460 108 G N 4.717 113.376 108.800 -0.235 0.000 2.150 108 G HA2 0.167 4.127 3.960 -0.000 0.000 0.250 108 G HA3 0.167 4.127 3.960 -0.000 0.000 0.250 108 G C 0.095 174.841 174.900 -0.257 0.000 1.179 108 G CA -0.144 44.835 45.100 -0.202 0.000 0.934 108 G HN 0.480 nan 8.290 nan 0.000 0.453 109 R N 1.892 122.259 120.500 -0.221 0.000 2.534 109 R HA 0.574 4.914 4.340 -0.000 0.000 0.301 109 R C 0.377 176.567 176.300 -0.182 0.000 0.961 109 R CA -0.511 55.398 56.100 -0.319 0.000 0.871 109 R CB 2.022 32.163 30.300 -0.265 0.000 1.170 109 R HN 0.590 nan 8.270 nan 0.000 0.446 110 G N 0.791 109.475 108.800 -0.194 0.000 2.667 110 G HA2 0.505 4.465 3.960 -0.000 0.000 0.310 110 G HA3 0.505 4.465 3.960 -0.000 0.000 0.310 110 G C -1.006 173.851 174.900 -0.072 0.000 1.259 110 G CA -0.276 44.762 45.100 -0.104 0.000 1.019 110 G HN 0.386 nan 8.290 nan 0.000 0.496 111 Q N -1.471 118.313 119.800 -0.027 0.000 3.166 111 Q HA -0.127 4.213 4.340 -0.000 0.000 0.025 111 Q C -2.584 173.417 176.000 0.001 0.000 1.692 111 Q CA 0.204 56.006 55.803 -0.002 0.000 0.233 111 Q CB -1.518 27.231 28.738 0.019 0.000 1.400 111 Q HN 0.677 nan 8.270 nan 0.000 0.320 112 P HA 0.245 nan 4.420 nan 0.000 0.271 112 P C -0.180 177.129 177.300 0.015 0.000 1.216 112 P CA -0.575 62.530 63.100 0.007 0.000 0.776 112 P CB 0.483 32.185 31.700 0.003 0.000 0.881 113 L N 2.131 123.366 121.223 0.021 0.000 2.525 113 L HA 0.388 4.728 4.340 -0.000 0.000 0.278 113 L C 1.321 178.203 176.870 0.021 0.000 1.218 113 L CA 1.618 56.477 54.840 0.032 0.000 0.878 113 L CB -0.510 41.569 42.059 0.033 0.000 1.127 113 L HN 0.756 nan 8.230 nan 0.000 0.492 114 G N 1.716 110.529 108.800 0.023 0.000 2.649 114 G HA2 0.682 4.642 3.960 -0.000 0.000 0.290 114 G HA3 0.682 4.642 3.960 -0.000 0.000 0.290 114 G C -1.643 173.262 174.900 0.009 0.000 1.426 114 G CA -0.005 45.097 45.100 0.003 0.000 0.794 114 G HN 0.729 nan 8.290 nan 0.000 0.483 115 V N -2.069 117.843 119.914 -0.005 0.000 3.007 115 V HA 1.013 5.133 4.120 -0.000 0.000 0.311 115 V C 0.475 176.558 176.094 -0.019 0.000 1.120 115 V CA 0.113 62.418 62.300 0.009 0.000 0.980 115 V CB 1.466 33.307 31.823 0.030 0.000 1.033 115 V HN 1.595 nan 8.190 nan 0.000 0.429 116 G N 1.210 110.007 108.800 -0.005 0.000 2.606 116 G HA2 0.793 4.753 3.960 -0.000 0.000 0.262 116 G HA3 0.793 4.753 3.960 -0.000 0.000 0.262 116 G C -0.861 174.012 174.900 -0.045 0.000 1.394 116 G CA -0.555 44.527 45.100 -0.029 0.000 1.044 116 G HN 1.401 nan 8.290 nan 0.000 0.553 117 I N -0.681 119.859 120.570 -0.051 0.000 2.715 117 I HA 0.379 4.549 4.170 -0.000 0.000 0.288 117 I C -1.252 174.793 176.117 -0.120 0.000 1.371 117 I CA -0.423 60.818 61.300 -0.100 0.000 1.056 117 I CB 1.686 39.664 38.000 -0.037 0.000 1.339 117 I HN 0.465 nan 8.210 nan 0.000 0.425 118 S N 4.723 120.200 115.700 -0.371 0.000 2.513 118 S HA 0.986 5.456 4.470 -0.000 0.000 0.299 118 S C -0.161 174.222 174.600 -0.362 0.000 1.087 118 S CA -0.516 57.387 58.200 -0.495 0.000 1.012 118 S CB 1.988 64.753 63.200 -0.726 0.000 1.044 118 S HN 0.940 nan 8.310 nan 0.000 0.485 119 G N 0.620 109.182 108.800 -0.397 0.000 2.682 119 G HA2 0.591 4.551 3.960 -0.000 0.000 0.303 119 G HA3 0.591 4.551 3.960 -0.000 0.000 0.303 119 G C -2.095 172.696 174.900 -0.182 0.000 1.341 119 G CA -0.466 44.516 45.100 -0.197 0.000 0.784 119 G HN 0.657 nan 8.290 nan 0.000 0.497 120 H N 0.260 119.240 119.070 -0.151 0.000 3.096 120 H HA 0.327 4.883 4.556 -0.000 0.000 0.335 120 H C -2.108 173.177 175.328 -0.071 0.000 0.990 120 H CA -1.279 54.701 56.048 -0.114 0.000 1.393 120 H CB 3.002 32.695 29.762 -0.115 0.000 1.742 120 H HN 0.120 nan 8.280 nan 0.000 0.501 121 P HA -0.137 nan 4.420 nan 0.000 0.218 121 P C 0.765 178.110 177.300 0.076 0.000 1.154 121 P CA 1.349 64.403 63.100 -0.077 0.000 0.872 121 P CB 0.347 31.968 31.700 -0.131 0.000 0.790 122 L N -1.896 119.519 121.223 0.319 0.000 3.154 122 L HA 0.239 4.579 4.340 -0.000 0.000 0.266 122 L C 0.504 177.485 176.870 0.185 0.000 1.300 122 L CA -0.967 54.040 54.840 0.278 0.000 1.028 122 L CB -0.106 42.085 42.059 0.220 0.000 1.412 122 L HN -0.033 nan 8.230 nan 0.000 0.564 123 L N 0.753 122.075 121.223 0.165 0.000 2.492 123 L HA -0.003 4.337 4.340 -0.000 0.000 0.280 123 L C 0.628 177.422 176.870 -0.127 0.000 1.240 123 L CA 0.533 55.310 54.840 -0.106 0.000 0.831 123 L CB 0.396 42.443 42.059 -0.020 0.000 1.100 123 L HN 0.245 nan 8.230 nan 0.000 0.505 124 N N 3.668 122.248 118.700 -0.199 0.000 2.678 124 N HA 0.233 4.973 4.740 -0.000 0.000 0.231 124 N C -1.343 174.134 175.510 -0.055 0.000 1.038 124 N CA -0.329 52.637 53.050 -0.140 0.000 0.932 124 N CB 0.192 38.573 38.487 -0.177 0.000 1.176 124 N HN 0.519 nan 8.380 nan 0.000 0.511 125 K N 4.754 125.153 120.400 -0.003 0.000 2.545 125 K HA 0.160 4.480 4.320 -0.000 0.000 0.252 125 K C -0.328 176.296 176.600 0.039 0.000 0.948 125 K CA -0.568 55.747 56.287 0.047 0.000 0.827 125 K CB 1.292 33.682 32.500 -0.184 0.000 1.128 125 K HN 0.390 nan 8.250 nan 0.000 0.429 126 L N 3.819 125.121 121.223 0.132 0.000 1.995 126 L HA 0.135 4.475 4.340 -0.000 0.000 0.206 126 L C -0.460 176.474 176.870 0.107 0.000 1.098 126 L CA 1.841 56.748 54.840 0.112 0.000 0.762 126 L CB -0.088 42.058 42.059 0.145 0.000 0.900 126 L HN 0.849 nan 8.230 nan 0.000 0.441 127 D N -2.069 118.433 120.400 0.170 0.000 2.602 127 D HA 0.249 4.889 4.640 -0.000 0.000 0.236 127 D C -1.532 174.950 176.300 0.304 0.000 1.209 127 D CA -0.544 53.566 54.000 0.183 0.000 0.831 127 D CB 0.509 41.398 40.800 0.147 0.000 1.478 127 D HN 0.084 nan 8.370 nan 0.000 0.438 128 D N -0.173 120.421 120.400 0.323 0.000 2.348 128 D HA 0.177 4.817 4.640 -0.000 0.000 0.259 128 D C 0.810 177.185 176.300 0.124 0.000 1.296 128 D CA -0.089 54.108 54.000 0.328 0.000 0.931 128 D CB 0.552 41.545 40.800 0.321 0.000 1.067 128 D HN 0.394 nan 8.370 nan 0.000 0.503 129 T N 0.202 114.789 114.554 0.054 0.000 3.272 129 T HA -0.012 4.337 4.350 -0.000 0.000 0.250 129 T C 1.255 175.885 174.700 -0.115 0.000 1.082 129 T CA -0.071 62.015 62.100 -0.024 0.000 0.968 129 T CB 0.007 68.847 68.868 -0.048 0.000 1.015 129 T HN 0.581 nan 8.240 nan 0.000 0.563 130 E N 1.620 121.745 120.200 -0.126 0.000 2.170 130 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 130 E C 0.759 177.296 176.600 -0.105 0.000 0.981 130 E CA 0.534 56.837 56.400 -0.161 0.000 0.830 130 E CB 0.176 29.742 29.700 -0.222 0.000 0.775 130 E HN 0.441 nan 8.360 nan 0.000 0.470 131 N N 0.268 118.932 118.700 -0.061 0.000 2.728 131 N HA -0.005 4.735 4.740 -0.000 0.000 0.221 131 N C -1.602 173.908 175.510 -0.000 0.000 1.412 131 N CA 0.062 53.091 53.050 -0.035 0.000 1.003 131 N CB 0.547 39.011 38.487 -0.039 0.000 1.525 131 N HN 0.073 nan 8.380 nan 0.000 0.552 132 S N 0.092 115.800 115.700 0.014 0.000 2.542 132 S HA -0.024 4.446 4.470 -0.000 0.000 0.287 132 S C 1.317 175.943 174.600 0.043 0.000 1.315 132 S CA 0.607 58.834 58.200 0.045 0.000 1.037 132 S CB 0.344 63.582 63.200 0.063 0.000 0.822 132 S HN 0.538 nan 8.310 nan 0.000 0.513 133 N N 2.524 121.255 118.700 0.052 0.000 2.124 133 N HA 0.041 4.781 4.740 -0.000 0.000 0.188 133 N C 0.517 176.058 175.510 0.051 0.000 1.045 133 N CA 0.522 53.599 53.050 0.045 0.000 0.846 133 N CB -0.025 38.487 38.487 0.043 0.000 1.020 133 N HN 0.440 nan 8.380 nan 0.000 0.432 134 K N -0.582 119.859 120.400 0.069 0.000 1.790 134 K HA 0.244 4.564 4.320 -0.000 0.000 0.263 134 K C -1.513 175.188 176.600 0.169 0.000 0.838 134 K CA -0.572 55.772 56.287 0.095 0.000 0.662 134 K CB -0.044 32.498 32.500 0.070 0.000 2.216 134 K HN -0.023 nan 8.250 nan 0.000 0.769 135 Y N 1.587 121.901 120.300 0.023 0.000 2.327 135 Y HA 0.446 4.996 4.550 -0.000 0.000 0.325 135 Y C -1.193 174.722 175.900 0.024 0.000 0.999 135 Y CA -0.966 57.149 58.100 0.025 0.000 1.195 135 Y CB 0.813 39.286 38.460 0.023 0.000 1.132 135 Y HN 0.144 nan 8.280 nan 0.000 0.455 136 V N 5.639 125.342 119.914 -0.352 0.000 2.716 136 V HA 0.644 4.764 4.120 -0.000 0.000 0.304 136 V C 1.061 176.739 176.094 -0.694 0.000 1.053 136 V CA -0.284 61.761 62.300 -0.426 0.000 0.984 136 V CB 1.421 33.149 31.823 -0.158 0.000 1.021 136 V HN 1.005 nan 8.190 nan 0.000 0.467 137 G N 2.110 110.586 108.800 -0.541 0.000 2.785 137 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.256 137 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.256 137 G C 0.035 174.850 174.900 -0.142 0.000 1.248 137 G CA -0.469 44.406 45.100 -0.375 0.000 0.914 137 G HN 0.852 nan 8.290 nan 0.000 0.580 138 N N 0.442 119.133 118.700 -0.016 0.000 2.256 138 N HA 0.103 4.843 4.740 -0.000 0.000 0.277 138 N C 1.166 176.678 175.510 0.003 0.000 1.362 138 N CA 0.686 53.754 53.050 0.029 0.000 0.861 138 N CB 0.442 38.952 38.487 0.038 0.000 1.136 138 N HN 0.673 nan 8.380 nan 0.000 0.492 139 S N 1.422 117.130 115.700 0.013 0.000 2.850 139 S HA 0.251 4.721 4.470 -0.000 0.000 0.252 139 S C 1.063 175.667 174.600 0.006 0.000 1.410 139 S CA 0.018 58.222 58.200 0.007 0.000 1.006 139 S CB -0.138 63.073 63.200 0.018 0.000 0.912 139 S HN 0.544 nan 8.310 nan 0.000 0.533 140 G N -1.054 107.750 108.800 0.007 0.000 3.341 140 G HA2 0.575 4.535 3.960 -0.000 0.000 0.177 140 G HA3 0.575 4.535 3.960 -0.000 0.000 0.177 140 G C -0.929 173.975 174.900 0.007 0.000 1.236 140 G CA -0.393 44.711 45.100 0.006 0.000 0.888 140 G HN 0.762 nan 8.290 nan 0.000 0.644 141 T N 0.655 115.212 114.554 0.005 0.000 2.863 141 T HA 0.483 4.833 4.350 -0.000 0.000 0.285 141 T C -0.944 173.758 174.700 0.004 0.000 1.009 141 T CA 0.291 62.394 62.100 0.005 0.000 0.989 141 T CB 1.524 70.394 68.868 0.003 0.000 1.004 141 T HN 0.598 nan 8.240 nan 0.000 0.455 142 D N 1.997 122.398 120.400 0.003 0.000 2.990 142 D HA -0.141 4.499 4.640 -0.000 0.000 0.245 142 D C -0.183 176.119 176.300 0.004 0.000 1.120 142 D CA 0.300 54.301 54.000 0.002 0.000 0.838 142 D CB -1.197 39.605 40.800 0.003 0.000 1.000 142 D HN 0.584 nan 8.370 nan 0.000 0.420 143 N N 0.833 119.536 118.700 0.005 0.000 2.327 143 N HA 0.098 4.838 4.740 -0.000 0.000 0.231 143 N C 0.231 175.742 175.510 0.002 0.000 1.130 143 N CA -0.253 52.801 53.050 0.008 0.000 0.845 143 N CB 0.405 38.902 38.487 0.016 0.000 1.073 143 N HN 0.243 nan 8.380 nan 0.000 0.496 144 R N 1.329 121.828 120.500 -0.001 0.000 2.594 144 R HA 0.212 4.552 4.340 -0.000 0.000 0.272 144 R C 0.153 176.455 176.300 0.002 0.000 1.074 144 R CA 0.105 56.202 56.100 -0.006 0.000 1.105 144 R CB 0.436 30.737 30.300 0.002 0.000 1.008 144 R HN 0.436 nan 8.270 nan 0.000 0.472 145 E N 0.413 120.612 120.200 -0.001 0.000 2.412 145 E HA 0.181 4.531 4.350 -0.000 0.000 0.279 145 E C -1.237 175.368 176.600 0.008 0.000 0.984 145 E CA -1.001 55.398 56.400 -0.001 0.000 0.788 145 E CB 1.073 30.761 29.700 -0.020 0.000 1.277 145 E HN 0.425 nan 8.360 nan 0.000 0.455 146 C N 2.310 121.614 119.300 0.008 0.000 2.596 146 C HA 0.395 4.855 4.460 -0.000 0.000 0.414 146 C C -0.124 174.858 174.990 -0.013 0.000 1.396 146 C CA 0.391 59.411 59.018 0.002 0.000 1.698 146 C CB -1.535 26.201 27.740 -0.006 0.000 2.572 146 C HN 0.570 nan 8.230 nan 0.000 0.604 147 I N 5.659 126.223 120.570 -0.011 0.000 2.731 147 I HA 0.241 4.410 4.170 -0.000 0.000 0.286 147 I C -0.118 175.992 176.117 -0.012 0.000 1.421 147 I CA 0.050 61.338 61.300 -0.020 0.000 1.071 147 I CB 1.941 39.914 38.000 -0.044 0.000 1.375 147 I HN 0.747 nan 8.210 nan 0.000 0.425 148 S N 6.715 122.403 115.700 -0.021 0.000 2.798 148 S HA 1.007 5.476 4.470 -0.000 0.000 0.312 148 S C -0.483 174.104 174.600 -0.023 0.000 1.122 148 S CA -0.696 57.474 58.200 -0.050 0.000 0.949 148 S CB 2.609 65.774 63.200 -0.058 0.000 1.235 148 S HN 0.760 nan 8.310 nan 0.000 0.552 149 M N -0.764 118.797 119.600 -0.066 0.000 3.166 149 M HA 0.353 4.833 4.480 -0.000 0.000 0.261 149 M C -2.766 173.467 176.300 -0.111 0.000 0.905 149 M CA -0.799 54.486 55.300 -0.026 0.000 0.795 149 M CB 1.253 33.907 32.600 0.090 0.000 1.589 149 M HN 0.778 nan 8.290 nan 0.000 0.570 150 D N 1.081 121.456 120.400 -0.041 0.000 2.505 150 D HA 0.479 5.118 4.640 -0.000 0.000 0.249 150 D C -1.272 175.068 176.300 0.068 0.000 1.082 150 D CA -0.320 53.642 54.000 -0.063 0.000 0.839 150 D CB 1.730 42.523 40.800 -0.011 0.000 1.317 150 D HN 0.685 nan 8.370 nan 0.000 0.497 151 Y N 0.557 120.903 120.300 0.075 0.000 2.260 151 Y HA 0.043 4.593 4.550 -0.000 0.000 0.339 151 Y C 1.565 177.498 175.900 0.054 0.000 1.317 151 Y CA -1.007 57.146 58.100 0.089 0.000 1.514 151 Y CB 0.995 39.532 38.460 0.128 0.000 1.382 151 Y HN 0.309 nan 8.280 nan 0.000 0.581 152 K N 1.973 122.518 120.400 0.242 0.000 2.527 152 K HA -0.103 4.217 4.320 -0.000 0.000 0.278 152 K C -0.524 176.170 176.600 0.158 0.000 0.981 152 K CA -0.217 56.150 56.287 0.135 0.000 1.009 152 K CB 0.440 32.998 32.500 0.096 0.000 0.895 152 K HN 0.680 nan 8.250 nan 0.000 0.493 153 Q N 2.903 122.780 119.800 0.127 0.000 2.274 153 Q HA 0.231 4.571 4.340 -0.000 0.000 0.256 153 Q C -1.410 174.658 176.000 0.113 0.000 0.927 153 Q CA -0.407 55.471 55.803 0.125 0.000 0.939 153 Q CB 1.434 30.237 28.738 0.109 0.000 1.201 153 Q HN 0.694 nan 8.270 nan 0.000 0.426 154 T N 3.525 118.150 114.554 0.118 0.000 2.916 154 T HA 0.420 4.770 4.350 -0.000 0.000 0.305 154 T C -1.114 173.647 174.700 0.101 0.000 1.119 154 T CA -0.806 61.358 62.100 0.106 0.000 1.008 154 T CB 1.720 70.661 68.868 0.121 0.000 1.129 154 T HN 0.644 nan 8.240 nan 0.000 0.480 155 Q N 1.959 121.798 119.800 0.065 0.000 2.483 155 Q HA 0.509 4.849 4.340 -0.000 0.000 0.245 155 Q C -1.210 174.811 176.000 0.036 0.000 0.902 155 Q CA -0.667 55.165 55.803 0.048 0.000 0.767 155 Q CB 1.466 30.118 28.738 -0.143 0.000 1.341 155 Q HN 0.662 nan 8.270 nan 0.000 0.453 156 L N -1.214 120.118 121.223 0.183 0.000 2.271 156 L HA 1.031 5.371 4.340 -0.000 0.000 0.265 156 L C -0.793 176.311 176.870 0.390 0.000 1.013 156 L CA -0.948 54.010 54.840 0.196 0.000 0.820 156 L CB 2.157 44.317 42.059 0.169 0.000 1.352 156 L HN 0.575 nan 8.230 nan 0.000 0.443 157 C N 1.546 121.035 119.300 0.316 0.000 3.018 157 C HA 0.630 5.089 4.460 -0.000 0.000 0.413 157 C C -1.431 173.738 174.990 0.298 0.000 1.015 157 C CA -0.611 58.640 59.018 0.387 0.000 1.233 157 C CB 0.002 28.075 27.740 0.554 0.000 1.630 157 C HN 0.879 nan 8.230 nan 0.000 0.532 158 L N 6.576 127.973 121.223 0.289 0.000 2.322 158 L HA 0.715 5.055 4.340 -0.000 0.000 0.281 158 L C -0.457 176.575 176.870 0.271 0.000 1.014 158 L CA -0.735 54.252 54.840 0.244 0.000 0.815 158 L CB 1.541 43.668 42.059 0.114 0.000 1.247 158 L HN 0.453 nan 8.230 nan 0.000 0.421 159 I N 2.749 123.507 120.570 0.314 0.000 2.405 159 I HA 0.535 4.705 4.170 -0.000 0.000 0.280 159 I C 0.450 176.513 176.117 -0.089 0.000 1.027 159 I CA -0.012 61.464 61.300 0.293 0.000 1.161 159 I CB 1.067 39.382 38.000 0.525 0.000 1.300 159 I HN 0.711 nan 8.210 nan 0.000 0.463 160 G N 3.446 112.105 108.800 -0.235 0.000 2.714 160 G HA2 0.448 4.408 3.960 -0.000 0.000 0.292 160 G HA3 0.448 4.408 3.960 -0.000 0.000 0.292 160 G C 0.471 175.164 174.900 -0.345 0.000 1.308 160 G CA -0.459 44.236 45.100 -0.674 0.000 0.964 160 G HN 0.672 nan 8.290 nan 0.000 0.484 161 C N -1.208 117.925 119.300 -0.278 0.000 2.791 161 C HA 0.564 5.024 4.460 -0.000 0.000 0.270 161 C C 0.681 175.786 174.990 0.192 0.000 1.257 161 C CA -0.728 58.400 59.018 0.183 0.000 1.699 161 C CB -1.136 26.821 27.740 0.362 0.000 1.904 161 C HN 0.430 nan 8.230 nan 0.000 0.603 162 R N 1.544 121.997 120.500 -0.079 0.000 2.744 162 R HA 0.508 4.848 4.340 -0.000 0.000 0.279 162 R C -2.956 172.829 176.300 -0.858 0.000 0.977 162 R CA -1.611 54.265 56.100 -0.373 0.000 0.906 162 R CB 1.737 31.911 30.300 -0.210 0.000 1.197 162 R HN 0.124 nan 8.270 nan 0.000 0.463 163 P HA 0.065 nan 4.420 nan 0.000 0.267 163 P C -2.353 174.592 177.300 -0.592 0.000 1.205 163 P CA -0.882 61.436 63.100 -1.304 0.000 0.765 163 P CB 0.393 31.317 31.700 -1.294 0.000 0.828 164 P HA 0.118 nan 4.420 nan 0.000 0.272 164 P C 0.092 177.219 177.300 -0.288 0.000 1.254 164 P CA -0.001 62.924 63.100 -0.291 0.000 0.795 164 P CB 0.721 32.290 31.700 -0.217 0.000 1.022 165 I N -3.375 117.040 120.570 -0.258 0.000 2.863 165 I HA 0.852 5.022 4.170 -0.000 0.000 0.311 165 I C -0.078 175.900 176.117 -0.232 0.000 1.026 165 I CA -0.961 60.198 61.300 -0.236 0.000 1.077 165 I CB 2.020 39.904 38.000 -0.194 0.000 1.262 165 I HN 0.381 nan 8.210 nan 0.000 0.461 166 G N 2.269 110.955 108.800 -0.190 0.000 2.816 166 G HA2 0.688 4.648 3.960 -0.000 0.000 0.288 166 G HA3 0.688 4.648 3.960 -0.000 0.000 0.288 166 G C -1.771 173.083 174.900 -0.076 0.000 1.334 166 G CA -0.755 44.255 45.100 -0.149 0.000 0.978 166 G HN 0.898 nan 8.290 nan 0.000 0.493 167 E N -0.571 119.612 120.200 -0.027 0.000 2.263 167 E HA 0.556 4.906 4.350 -0.000 0.000 0.268 167 E C -1.238 175.344 176.600 -0.031 0.000 0.884 167 E CA -0.988 55.358 56.400 -0.090 0.000 0.766 167 E CB 1.922 31.533 29.700 -0.149 0.000 1.196 167 E HN 0.772 nan 8.360 nan 0.000 0.416 168 H N 1.131 120.075 119.070 -0.209 0.000 3.016 168 H HA 0.340 4.896 4.556 -0.000 0.000 0.362 168 H C -1.695 173.518 175.328 -0.190 0.000 1.233 168 H CA -1.285 54.658 56.048 -0.175 0.000 1.124 168 H CB 0.821 30.555 29.762 -0.045 0.000 1.850 168 H HN 0.618 nan 8.280 nan 0.000 0.549 169 W N 1.362 122.687 121.300 0.041 0.000 2.338 169 W HA 0.549 5.208 4.660 -0.000 0.000 0.307 169 W C 0.530 177.028 176.519 -0.033 0.000 1.167 169 W CA -0.264 57.041 57.345 -0.067 0.000 1.208 169 W CB 1.759 31.187 29.460 -0.054 0.000 1.228 169 W HN 0.834 nan 8.180 nan 0.000 0.499 170 G N 1.917 110.803 108.800 0.142 0.000 2.932 170 G HA2 0.437 4.397 3.960 -0.000 0.000 0.283 170 G HA3 0.437 4.397 3.960 -0.000 0.000 0.283 170 G C -1.431 173.518 174.900 0.082 0.000 1.336 170 G CA -1.146 44.007 45.100 0.087 0.000 1.056 170 G HN 0.311 nan 8.290 nan 0.000 0.522 171 K N -0.151 120.276 120.400 0.046 0.000 2.349 171 K HA 0.449 4.769 4.320 -0.000 0.000 0.288 171 K C 0.451 177.064 176.600 0.021 0.000 1.058 171 K CA -0.077 56.225 56.287 0.025 0.000 0.953 171 K CB 0.371 32.880 32.500 0.016 0.000 0.997 171 K HN 0.500 nan 8.250 nan 0.000 0.477 172 G N 2.134 110.946 108.800 0.020 0.000 2.389 172 G HA2 0.181 4.141 3.960 -0.000 0.000 0.317 172 G HA3 0.181 4.141 3.960 -0.000 0.000 0.317 172 G C -0.681 174.223 174.900 0.007 0.000 1.137 172 G CA -0.579 44.531 45.100 0.017 0.000 0.870 172 G HN 0.577 nan 8.290 nan 0.000 0.496 173 T N 3.967 118.524 114.554 0.005 0.000 2.799 173 T HA 0.305 4.655 4.350 -0.000 0.000 0.296 173 T C -1.306 173.394 174.700 0.001 0.000 0.947 173 T CA -0.514 61.587 62.100 0.001 0.000 1.141 173 T CB 0.915 69.783 68.868 0.000 0.000 0.891 173 T HN 0.489 nan 8.240 nan 0.000 0.533 174 P HA 0.154 nan 4.420 nan 0.000 0.272 174 P C 0.292 177.591 177.300 -0.002 0.000 1.254 174 P CA -0.547 62.551 63.100 -0.003 0.000 0.795 174 P CB 0.380 32.077 31.700 -0.005 0.000 1.022 175 S N -0.190 115.509 115.700 -0.002 0.000 2.640 175 S HA 0.036 4.505 4.470 -0.000 0.000 0.262 175 S C 0.682 175.281 174.600 -0.002 0.000 1.232 175 S CA -0.691 57.508 58.200 -0.002 0.000 0.988 175 S CB -0.153 63.047 63.200 -0.001 0.000 1.034 175 S HN 0.539 nan 8.310 nan 0.000 0.569 176 N N 1.455 120.154 118.700 -0.002 0.000 2.598 176 N HA 0.252 4.992 4.740 -0.000 0.000 0.300 176 N C -0.060 175.449 175.510 -0.002 0.000 1.224 176 N CA 0.530 53.579 53.050 -0.002 0.000 1.125 176 N CB -0.879 37.607 38.487 -0.002 0.000 1.468 176 N HN 0.718 nan 8.380 nan 0.000 0.504 177 A N 2.926 125.744 122.820 -0.003 0.000 4.258 177 A HA 0.344 4.664 4.320 -0.000 0.000 0.158 177 A C -0.479 177.103 177.584 -0.004 0.000 0.780 177 A CA -0.545 51.490 52.037 -0.003 0.000 1.200 177 A CB 0.109 19.107 19.000 -0.004 0.000 2.104 177 A HN 0.504 nan 8.150 nan 0.000 0.922 178 N N 1.424 120.121 118.700 -0.004 0.000 2.416 178 N HA 0.311 5.050 4.740 -0.000 0.000 0.246 178 N C -0.171 175.336 175.510 -0.005 0.000 1.260 178 N CA 0.086 53.133 53.050 -0.004 0.000 0.897 178 N CB 0.336 38.820 38.487 -0.005 0.000 1.110 178 N HN 0.544 nan 8.380 nan 0.000 0.439 179 Q N 2.031 121.828 119.800 -0.005 0.000 2.377 179 Q HA 0.150 4.490 4.340 -0.000 0.000 0.249 179 Q C -1.046 174.951 176.000 -0.006 0.000 1.005 179 Q CA -0.594 55.206 55.803 -0.005 0.000 0.912 179 Q CB 0.513 29.249 28.738 -0.004 0.000 1.223 179 Q HN 0.436 nan 8.270 nan 0.000 0.459 180 V N 6.957 126.867 119.914 -0.007 0.000 2.456 180 V HA -0.103 4.017 4.120 -0.000 0.000 0.247 180 V C 0.906 176.995 176.094 -0.008 0.000 1.056 180 V CA 0.288 62.584 62.300 -0.008 0.000 1.203 180 V CB -1.313 30.504 31.823 -0.010 0.000 1.185 180 V HN 0.616 nan 8.190 nan 0.000 0.477 181 K N 3.876 124.272 120.400 -0.007 0.000 2.187 181 K HA 0.480 4.799 4.320 -0.000 0.000 0.247 181 K C 0.319 176.915 176.600 -0.007 0.000 1.019 181 K CA 0.006 56.289 56.287 -0.006 0.000 0.893 181 K CB 0.567 33.064 32.500 -0.006 0.000 1.025 181 K HN 0.451 nan 8.250 nan 0.000 0.500 182 A N -0.040 122.776 122.820 -0.007 0.000 2.520 182 A HA 0.400 4.720 4.320 -0.000 0.000 0.235 182 A C 1.310 178.889 177.584 -0.009 0.000 1.065 182 A CA 0.963 52.995 52.037 -0.008 0.000 0.764 182 A CB -0.936 18.060 19.000 -0.007 0.000 1.002 182 A HN 1.258 nan 8.150 nan 0.000 0.502 183 G N 0.455 109.249 108.800 -0.011 0.000 2.956 183 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.210 183 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.210 183 G C 0.334 175.225 174.900 -0.015 0.000 1.316 183 G CA 0.231 45.324 45.100 -0.012 0.000 0.819 183 G HN 0.861 nan 8.290 nan 0.000 0.544 184 E N 0.345 120.537 120.200 -0.014 0.000 2.468 184 E HA 0.245 4.595 4.350 -0.000 0.000 0.263 184 E C 0.453 177.040 176.600 -0.021 0.000 1.192 184 E CA 0.378 56.768 56.400 -0.017 0.000 1.016 184 E CB 0.553 30.244 29.700 -0.015 0.000 0.980 184 E HN 0.696 nan 8.360 nan 0.000 0.467 185 C N 3.560 122.844 119.300 -0.026 0.000 2.239 185 C HA 0.326 4.786 4.460 -0.000 0.000 0.325 185 C C -2.120 172.849 174.990 -0.035 0.000 1.231 185 C CA -1.950 57.047 59.018 -0.035 0.000 1.652 185 C CB -0.745 26.970 27.740 -0.042 0.000 2.284 185 C HN 0.346 nan 8.230 nan 0.000 0.499 186 P HA 0.143 nan 4.420 nan 0.000 0.263 186 P C -2.359 174.920 177.300 -0.036 0.000 1.175 186 P CA -0.373 62.710 63.100 -0.028 0.000 0.761 186 P CB -0.019 31.667 31.700 -0.023 0.000 0.794 187 P HA 0.092 nan 4.420 nan 0.000 0.271 187 P C -0.524 176.763 177.300 -0.021 0.000 1.216 187 P CA -0.135 62.945 63.100 -0.032 0.000 0.776 187 P CB 0.666 32.356 31.700 -0.016 0.000 0.881 188 L N 1.763 122.961 121.223 -0.041 0.000 2.439 188 L HA 0.527 4.867 4.340 -0.000 0.000 0.259 188 L C 0.826 177.785 176.870 0.148 0.000 1.129 188 L CA -0.046 54.804 54.840 0.016 0.000 0.803 188 L CB -0.094 41.864 42.059 -0.167 0.000 1.161 188 L HN 0.641 nan 8.230 nan 0.000 0.462 189 E N 0.729 121.098 120.200 0.282 0.000 2.380 189 E HA 0.253 4.603 4.350 -0.000 0.000 0.281 189 E C -1.941 174.769 176.600 0.183 0.000 0.999 189 E CA -0.776 55.786 56.400 0.270 0.000 0.800 189 E CB 2.420 32.177 29.700 0.095 0.000 1.228 189 E HN 0.336 nan 8.360 nan 0.000 0.436 190 L N 4.675 125.911 121.223 0.023 0.000 2.315 190 L HA 0.382 4.722 4.340 -0.000 0.000 0.283 190 L C -1.262 175.409 176.870 -0.331 0.000 1.089 190 L CA 0.094 54.676 54.840 -0.431 0.000 0.833 190 L CB 0.339 42.029 42.059 -0.615 0.000 1.170 190 L HN 0.463 nan 8.230 nan 0.000 0.442 191 L N 5.026 125.992 121.223 -0.428 0.000 2.325 191 L HA 0.552 4.892 4.340 -0.000 0.000 0.278 191 L C 0.082 176.776 176.870 -0.294 0.000 1.023 191 L CA -0.766 53.862 54.840 -0.352 0.000 0.811 191 L CB 1.208 43.021 42.059 -0.409 0.000 1.249 191 L HN 0.535 nan 8.230 nan 0.000 0.431 192 N N 0.768 119.361 118.700 -0.179 0.000 2.463 192 N HA 0.559 5.299 4.740 -0.000 0.000 0.270 192 N C -0.251 175.215 175.510 -0.073 0.000 1.205 192 N CA -0.170 52.806 53.050 -0.124 0.000 0.974 192 N CB 1.867 40.289 38.487 -0.109 0.000 1.197 192 N HN 0.720 nan 8.380 nan 0.000 0.504 193 T N -2.041 112.475 114.554 -0.064 0.000 2.775 193 T HA 0.303 4.653 4.350 -0.000 0.000 0.320 193 T C -1.525 173.098 174.700 -0.128 0.000 1.597 193 T CA -0.686 61.391 62.100 -0.039 0.000 1.022 193 T CB 0.351 69.253 68.868 0.057 0.000 1.485 193 T HN 0.025 nan 8.240 nan 0.000 0.494 194 V N 3.646 123.453 119.914 -0.179 0.000 2.546 194 V HA 0.425 4.545 4.120 -0.000 0.000 0.284 194 V C 0.486 176.422 176.094 -0.265 0.000 1.050 194 V CA -0.629 61.470 62.300 -0.336 0.000 0.981 194 V CB 1.053 32.418 31.823 -0.762 0.000 0.990 194 V HN 0.777 nan 8.190 nan 0.000 0.474 195 L N 5.811 126.880 121.223 -0.256 0.000 2.410 195 L HA 0.301 4.640 4.340 -0.000 0.000 0.273 195 L C 0.282 177.127 176.870 -0.042 0.000 1.144 195 L CA 0.430 55.113 54.840 -0.263 0.000 0.863 195 L CB 0.332 42.177 42.059 -0.357 0.000 1.140 195 L HN 0.682 nan 8.230 nan 0.000 0.463 196 Q N 1.783 121.549 119.800 -0.056 0.000 2.377 196 Q HA 0.254 4.594 4.340 -0.000 0.000 0.271 196 Q C -1.060 175.005 176.000 0.108 0.000 1.077 196 Q CA -1.081 54.776 55.803 0.090 0.000 0.820 196 Q CB 2.234 30.937 28.738 -0.058 0.000 1.347 196 Q HN 0.445 nan 8.270 nan 0.000 0.444 197 D N 0.348 120.872 120.400 0.208 0.000 2.570 197 D HA 0.150 4.790 4.640 -0.000 0.000 0.243 197 D C 0.782 177.132 176.300 0.083 0.000 1.171 197 D CA 2.304 56.383 54.000 0.133 0.000 0.879 197 D CB 0.053 40.939 40.800 0.144 0.000 1.143 197 D HN 0.745 nan 8.370 nan 0.000 0.511 198 G N 3.044 111.906 108.800 0.104 0.000 2.192 198 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.193 198 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.193 198 G C -0.137 174.830 174.900 0.111 0.000 0.999 198 G CA -0.173 44.981 45.100 0.090 0.000 0.659 198 G HN 0.587 nan 8.290 nan 0.000 0.503 199 D N 1.224 121.701 120.400 0.129 0.000 2.329 199 D HA 0.541 5.181 4.640 -0.000 0.000 0.246 199 D C 1.010 177.494 176.300 0.306 0.000 1.111 199 D CA 0.028 54.095 54.000 0.113 0.000 0.941 199 D CB 0.713 41.464 40.800 -0.082 0.000 1.169 199 D HN 0.059 nan 8.370 nan 0.000 0.441 200 M N 0.967 120.714 119.600 0.245 0.000 2.367 200 M HA 0.248 4.728 4.480 -0.000 0.000 0.339 200 M C 0.170 176.703 176.300 0.387 0.000 1.177 200 M CA -0.986 54.479 55.300 0.275 0.000 1.068 200 M CB 1.136 33.839 32.600 0.171 0.000 1.602 200 M HN 0.107 nan 8.290 nan 0.000 0.457 201 V N -0.178 119.927 119.914 0.318 0.000 3.214 201 V HA 0.319 4.438 4.120 -0.000 0.000 0.306 201 V C 0.385 176.625 176.094 0.243 0.000 1.078 201 V CA -1.089 61.396 62.300 0.309 0.000 1.077 201 V CB 0.426 32.290 31.823 0.068 0.000 1.121 201 V HN 0.922 nan 8.190 nan 0.000 0.468 202 D N 0.685 121.255 120.400 0.282 0.000 2.414 202 D HA 0.040 4.680 4.640 -0.000 0.000 0.242 202 D C 0.706 177.071 176.300 0.108 0.000 1.129 202 D CA 0.481 54.620 54.000 0.231 0.000 0.885 202 D CB 1.627 42.581 40.800 0.256 0.000 1.198 202 D HN 0.898 nan 8.370 nan 0.000 0.437 203 T N -2.063 112.480 114.554 -0.018 0.000 3.084 203 T HA 0.449 4.799 4.350 -0.000 0.000 0.270 203 T C 1.212 175.865 174.700 -0.079 0.000 1.008 203 T CA 0.198 62.153 62.100 -0.242 0.000 0.900 203 T CB 0.222 68.374 68.868 -1.193 0.000 1.084 203 T HN 0.802 nan 8.240 nan 0.000 0.538 204 G N 0.586 109.415 108.800 0.047 0.000 2.273 204 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.162 204 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.162 204 G C 0.127 174.954 174.900 -0.121 0.000 1.006 204 G CA -0.305 44.769 45.100 -0.042 0.000 0.704 204 G HN 0.430 nan 8.290 nan 0.000 0.487 205 F N 1.683 121.692 119.950 0.098 0.000 2.683 205 F HA 0.515 5.042 4.527 -0.000 0.000 0.306 205 F C 1.455 177.420 175.800 0.275 0.000 1.102 205 F CA 0.747 58.871 58.000 0.206 0.000 1.244 205 F CB 1.272 40.401 39.000 0.215 0.000 1.029 205 F HN 0.760 nan 8.300 nan 0.000 0.545 206 G N 1.063 110.061 108.800 0.329 0.000 2.756 206 G HA2 0.135 4.095 3.960 -0.000 0.000 0.678 206 G HA3 0.135 4.095 3.960 -0.000 0.000 0.678 206 G C -0.647 174.437 174.900 0.307 0.000 1.349 206 G CA -0.653 44.609 45.100 0.270 0.000 0.847 206 G HN 0.622 nan 8.290 nan 0.000 0.548 207 A N 0.624 123.599 122.820 0.257 0.000 2.444 207 A HA 0.786 5.106 4.320 -0.000 0.000 0.332 207 A C 0.450 178.173 177.584 0.232 0.000 1.430 207 A CA 0.778 52.959 52.037 0.240 0.000 0.975 207 A CB -0.329 18.789 19.000 0.196 0.000 1.147 207 A HN 1.993 nan 8.150 nan 0.000 0.524 208 M N 0.426 120.083 119.600 0.095 0.000 2.744 208 M HA 0.684 5.163 4.480 -0.000 0.000 0.283 208 M C -1.599 174.565 176.300 -0.227 0.000 1.275 208 M CA -0.828 54.432 55.300 -0.067 0.000 0.796 208 M CB 1.680 34.099 32.600 -0.302 0.000 1.739 208 M HN 0.274 nan 8.290 nan 0.000 0.454 209 D N 0.403 120.697 120.400 -0.176 0.000 2.392 209 D HA 0.364 5.004 4.640 -0.000 0.000 0.228 209 D C -0.564 175.588 176.300 -0.247 0.000 1.074 209 D CA -0.365 53.574 54.000 -0.102 0.000 0.838 209 D CB 0.726 41.577 40.800 0.084 0.000 1.067 209 D HN 0.585 nan 8.370 nan 0.000 0.511 210 F N 1.252 121.218 119.950 0.027 0.000 2.416 210 F HA -0.046 4.480 4.527 -0.000 0.000 0.296 210 F C 2.462 178.258 175.800 -0.007 0.000 1.099 210 F CA 0.666 58.666 58.000 0.001 0.000 1.427 210 F CB -0.216 38.763 39.000 -0.034 0.000 1.079 210 F HN 0.336 nan 8.300 nan 0.000 0.536 211 T N -1.794 112.844 114.554 0.141 0.000 2.698 211 T HA -0.192 4.158 4.350 -0.000 0.000 0.260 211 T C 2.219 176.947 174.700 0.046 0.000 1.044 211 T CA 1.833 63.984 62.100 0.086 0.000 1.149 211 T CB -1.172 67.740 68.868 0.073 0.000 0.864 211 T HN 0.372 nan 8.240 nan 0.000 0.419 212 T N 1.084 115.658 114.554 0.034 0.000 2.746 212 T HA -0.029 4.321 4.350 -0.000 0.000 0.267 212 T C 1.832 176.531 174.700 -0.001 0.000 1.039 212 T CA 0.840 62.950 62.100 0.017 0.000 1.142 212 T CB -0.606 68.277 68.868 0.026 0.000 0.866 212 T HN 0.114 nan 8.240 nan 0.000 0.444 213 L N 1.010 122.219 121.223 -0.022 0.000 2.446 213 L HA 0.377 4.717 4.340 -0.000 0.000 0.219 213 L C 0.727 177.575 176.870 -0.036 0.000 1.116 213 L CA 0.922 55.734 54.840 -0.047 0.000 0.844 213 L CB -0.424 41.576 42.059 -0.098 0.000 0.970 213 L HN 0.504 nan 8.230 nan 0.000 0.457 214 Q N -1.802 117.994 119.800 -0.007 0.000 2.303 214 Q HA 0.536 4.876 4.340 -0.000 0.000 0.267 214 Q C 0.571 176.575 176.000 0.007 0.000 1.011 214 Q CA 0.097 55.903 55.803 0.005 0.000 0.740 214 Q CB 1.840 30.601 28.738 0.038 0.000 1.250 214 Q HN 0.067 nan 8.270 nan 0.000 0.458 215 A N 3.287 126.102 122.820 -0.008 0.000 1.840 215 A HA -0.185 4.135 4.320 -0.000 0.000 0.214 215 A C 1.826 179.401 177.584 -0.015 0.000 1.198 215 A CA 1.668 53.700 52.037 -0.008 0.000 0.608 215 A CB -0.547 18.446 19.000 -0.011 0.000 0.839 215 A HN 0.915 nan 8.150 nan 0.000 0.443 216 N N 1.598 120.281 118.700 -0.029 0.000 2.242 216 N HA -0.325 4.415 4.740 -0.000 0.000 0.191 216 N C 0.737 176.212 175.510 -0.058 0.000 1.005 216 N CA 2.128 55.151 53.050 -0.045 0.000 0.877 216 N CB -0.836 37.611 38.487 -0.065 0.000 0.983 216 N HN 0.756 nan 8.380 nan 0.000 0.439 217 K N -1.751 118.619 120.400 -0.051 0.000 3.003 217 K HA -0.189 4.131 4.320 -0.000 0.000 0.257 217 K C -0.383 176.123 176.600 -0.156 0.000 0.958 217 K CA 1.200 57.456 56.287 -0.053 0.000 0.707 217 K CB -2.219 30.283 32.500 0.004 0.000 1.279 217 K HN 0.237 nan 8.250 nan 0.000 0.479 218 S N 0.165 115.689 115.700 -0.292 0.000 2.817 218 S HA 0.029 4.499 4.470 -0.000 0.000 0.262 218 S C -0.279 173.965 174.600 -0.593 0.000 1.051 218 S CA 0.082 57.924 58.200 -0.596 0.000 1.185 218 S CB 0.482 63.499 63.200 -0.305 0.000 1.152 218 S HN 0.635 nan 8.310 nan 0.000 0.653 219 D N 1.834 121.984 120.400 -0.416 0.000 2.755 219 D HA 0.343 4.983 4.640 -0.000 0.000 0.257 219 D C -0.075 175.928 176.300 -0.495 0.000 1.291 219 D CA -0.509 53.231 54.000 -0.433 0.000 0.836 219 D CB 0.166 40.729 40.800 -0.395 0.000 1.059 219 D HN 0.174 nan 8.370 nan 0.000 0.486 220 V N -5.316 114.301 119.914 -0.495 0.000 3.036 220 V HA 0.486 4.606 4.120 -0.000 0.000 0.280 220 V C -3.163 172.735 176.094 -0.327 0.000 1.497 220 V CA -2.122 59.820 62.300 -0.597 0.000 0.982 220 V CB 1.484 32.778 31.823 -0.883 0.000 1.171 220 V HN -0.260 nan 8.190 nan 0.000 0.444 221 P HA 0.115 nan 4.420 nan 0.000 0.266 221 P C 1.167 178.435 177.300 -0.054 0.000 1.186 221 P CA -0.075 62.983 63.100 -0.069 0.000 0.767 221 P CB 0.417 32.076 31.700 -0.068 0.000 0.820 222 L N 2.904 124.110 121.223 -0.029 0.000 2.010 222 L HA -0.262 4.078 4.340 -0.000 0.000 0.219 222 L C 1.922 178.817 176.870 0.041 0.000 1.077 222 L CA 2.621 57.477 54.840 0.026 0.000 0.773 222 L CB -2.188 39.883 42.059 0.020 0.000 0.892 222 L HN 0.529 nan 8.230 nan 0.000 0.436 223 D N -0.282 120.137 120.400 0.031 0.000 2.322 223 D HA -0.238 4.402 4.640 -0.000 0.000 0.210 223 D C 1.683 178.021 176.300 0.064 0.000 0.983 223 D CA 1.848 55.927 54.000 0.132 0.000 0.902 223 D CB -0.473 40.475 40.800 0.246 0.000 0.905 223 D HN 0.691 nan 8.370 nan 0.000 0.483 224 I N -2.855 117.675 120.570 -0.067 0.000 4.471 224 I HA 0.178 4.348 4.170 -0.000 0.000 0.326 224 I C 2.000 177.950 176.117 -0.279 0.000 1.300 224 I CA -0.169 60.997 61.300 -0.223 0.000 1.237 224 I CB -0.159 37.524 38.000 -0.528 0.000 1.195 224 I HN 0.132 nan 8.210 nan 0.000 0.427 225 C N 1.541 120.702 119.300 -0.231 0.000 2.397 225 C HA -0.066 4.394 4.460 -0.000 0.000 0.286 225 C C 2.152 177.174 174.990 0.053 0.000 1.308 225 C CA 0.794 59.736 59.018 -0.126 0.000 1.805 225 C CB -2.063 25.646 27.740 -0.050 0.000 1.952 225 C HN 0.744 nan 8.230 nan 0.000 0.518 226 S N -0.454 115.285 115.700 0.064 0.000 2.711 226 S HA 0.537 5.007 4.470 -0.000 0.000 0.247 226 S C -0.056 174.608 174.600 0.106 0.000 1.079 226 S CA -0.090 58.165 58.200 0.093 0.000 1.050 226 S CB -0.083 63.158 63.200 0.067 0.000 0.885 226 S HN 0.647 nan 8.310 nan 0.000 0.498 227 S N 0.780 116.571 115.700 0.152 0.000 2.806 227 S HA 0.659 5.128 4.470 -0.000 0.000 0.306 227 S C -0.838 173.895 174.600 0.222 0.000 1.167 227 S CA -0.978 57.308 58.200 0.142 0.000 0.847 227 S CB 0.842 64.103 63.200 0.103 0.000 1.216 227 S HN 0.423 nan 8.310 nan 0.000 0.532 228 I N 1.225 121.853 120.570 0.097 0.000 2.362 228 I HA 0.325 4.495 4.170 -0.000 0.000 0.289 228 I C -0.823 175.340 176.117 0.076 0.000 0.994 228 I CA -0.473 60.836 61.300 0.015 0.000 1.158 228 I CB 1.088 38.912 38.000 -0.292 0.000 1.315 228 I HN 0.479 nan 8.210 nan 0.000 0.451 229 C N 6.361 125.809 119.300 0.248 0.000 2.415 229 C HA 0.346 4.805 4.460 -0.000 0.000 0.369 229 C C 0.647 175.741 174.990 0.172 0.000 1.279 229 C CA -0.596 58.576 59.018 0.257 0.000 1.886 229 C CB -0.244 27.724 27.740 0.380 0.000 2.468 229 C HN 0.698 nan 8.230 nan 0.000 0.553 230 K N 1.433 121.938 120.400 0.174 0.000 2.185 230 K HA 0.598 4.918 4.320 -0.000 0.000 0.240 230 K C -1.287 175.500 176.600 0.312 0.000 0.983 230 K CA -0.491 55.870 56.287 0.123 0.000 0.873 230 K CB 1.760 34.196 32.500 -0.107 0.000 1.118 230 K HN 0.692 nan 8.250 nan 0.000 0.441 231 Y N 1.057 121.415 120.300 0.097 0.000 2.457 231 Y HA 0.314 4.864 4.550 -0.000 0.000 0.343 231 Y C -2.642 173.251 175.900 -0.011 0.000 0.994 231 Y CA -2.309 55.870 58.100 0.132 0.000 1.031 231 Y CB 2.032 40.571 38.460 0.132 0.000 1.246 231 Y HN 0.398 nan 8.280 nan 0.000 0.449 232 P HA -0.042 nan 4.420 nan 0.000 0.264 232 P C -0.839 176.137 177.300 -0.541 0.000 1.193 232 P CA 0.369 63.108 63.100 -0.602 0.000 0.763 232 P CB 0.498 31.558 31.700 -1.066 0.000 0.810 233 D N 3.222 123.415 120.400 -0.344 0.000 2.498 233 D HA -0.021 4.619 4.640 -0.000 0.000 0.229 233 D C 0.572 176.710 176.300 -0.270 0.000 1.188 233 D CA 0.241 54.121 54.000 -0.201 0.000 1.028 233 D CB -0.036 40.675 40.800 -0.149 0.000 1.087 233 D HN 0.363 nan 8.370 nan 0.000 0.510 234 Y N 1.599 121.851 120.300 -0.081 0.000 2.181 234 Y HA -0.190 4.360 4.550 -0.000 0.000 0.288 234 Y C 2.326 178.141 175.900 -0.140 0.000 1.146 234 Y CA 0.789 58.783 58.100 -0.178 0.000 1.164 234 Y CB 0.021 38.407 38.460 -0.123 0.000 0.982 234 Y HN 0.361 nan 8.280 nan 0.000 0.515 235 L N -0.075 121.196 121.223 0.081 0.000 2.017 235 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 235 L C 2.526 179.395 176.870 -0.002 0.000 1.073 235 L CA 1.645 56.515 54.840 0.049 0.000 0.745 235 L CB -0.361 41.735 42.059 0.062 0.000 0.894 235 L HN 0.160 nan 8.230 nan 0.000 0.432 236 K N 0.114 120.491 120.400 -0.037 0.000 2.001 236 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 236 K C 2.132 178.700 176.600 -0.054 0.000 1.048 236 K CA 1.501 57.759 56.287 -0.047 0.000 0.932 236 K CB -0.087 32.371 32.500 -0.070 0.000 0.715 236 K HN 0.139 nan 8.250 nan 0.000 0.437 237 M N 0.365 119.905 119.600 -0.100 0.000 2.346 237 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 237 M C 1.941 178.201 176.300 -0.067 0.000 1.064 237 M CA 0.967 56.201 55.300 -0.110 0.000 1.083 237 M CB -0.073 32.412 32.600 -0.192 0.000 1.399 237 M HN 0.012 nan 8.290 nan 0.000 0.435 238 V N -0.913 118.968 119.914 -0.056 0.000 2.649 238 V HA -0.107 4.013 4.120 -0.000 0.000 0.248 238 V C 1.997 178.112 176.094 0.036 0.000 1.054 238 V CA 1.532 63.825 62.300 -0.012 0.000 1.073 238 V CB -0.007 31.816 31.823 -0.000 0.000 0.699 238 V HN 0.371 nan 8.190 nan 0.000 0.463 239 S N -1.048 114.668 115.700 0.026 0.000 2.575 239 S HA 0.067 4.537 4.470 -0.000 0.000 0.215 239 S C 0.782 175.409 174.600 0.046 0.000 0.966 239 S CA -0.159 58.066 58.200 0.041 0.000 0.911 239 S CB -0.256 62.961 63.200 0.028 0.000 0.780 239 S HN 0.667 nan 8.310 nan 0.000 0.514 240 E N 2.939 123.168 120.200 0.048 0.000 2.529 240 E HA -0.036 4.313 4.350 -0.000 0.000 0.259 240 E C -1.280 175.382 176.600 0.104 0.000 0.966 240 E CA -1.207 55.235 56.400 0.069 0.000 0.937 240 E CB 0.748 30.495 29.700 0.079 0.000 0.923 240 E HN 0.107 nan 8.360 nan 0.000 0.468 241 P HA -0.192 nan 4.420 nan 0.000 0.215 241 P C 0.757 178.057 177.300 -0.001 0.000 1.157 241 P CA 1.500 64.583 63.100 -0.029 0.000 0.863 241 P CB -0.082 31.500 31.700 -0.197 0.000 0.787 242 Y N 0.472 120.843 120.300 0.119 0.000 2.263 242 Y HA 0.149 4.699 4.550 -0.000 0.000 0.292 242 Y C 1.656 177.729 175.900 0.288 0.000 1.130 242 Y CA 1.082 59.294 58.100 0.188 0.000 1.179 242 Y CB -1.037 37.500 38.460 0.128 0.000 0.998 242 Y HN 0.034 nan 8.280 nan 0.000 0.532 243 G N 1.329 110.348 108.800 0.364 0.000 2.392 243 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.256 243 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.256 243 G C -0.142 174.949 174.900 0.319 0.000 0.920 243 G CA 0.496 45.767 45.100 0.284 0.000 1.316 243 G HN 0.470 nan 8.290 nan 0.000 0.416 244 D N 1.147 121.670 120.400 0.205 0.000 2.415 244 D HA 0.033 4.673 4.640 -0.000 0.000 0.269 244 D C 2.360 178.612 176.300 -0.079 0.000 1.099 244 D CA 0.272 54.380 54.000 0.180 0.000 0.865 244 D CB 0.054 40.974 40.800 0.199 0.000 1.359 244 D HN 0.441 nan 8.370 nan 0.000 0.506 245 M N 0.954 120.513 119.600 -0.070 0.000 2.106 245 M HA -0.151 4.329 4.480 -0.000 0.000 0.259 245 M C -0.149 176.007 176.300 -0.240 0.000 1.068 245 M CA 1.609 56.809 55.300 -0.167 0.000 1.100 245 M CB 0.125 32.648 32.600 -0.128 0.000 1.351 245 M HN 0.073 nan 8.290 nan 0.000 0.404 246 L N -3.257 117.847 121.223 -0.198 0.000 2.526 246 L HA 0.442 4.782 4.340 -0.000 0.000 0.263 246 L C -1.214 175.645 176.870 -0.018 0.000 0.943 246 L CA -0.950 53.764 54.840 -0.211 0.000 0.859 246 L CB 0.731 42.726 42.059 -0.106 0.000 1.313 246 L HN 0.127 nan 8.230 nan 0.000 0.406 247 F N 1.422 121.514 119.950 0.237 0.000 2.850 247 F HA 0.807 5.334 4.527 -0.000 0.000 0.329 247 F C -0.649 175.395 175.800 0.406 0.000 1.182 247 F CA -1.657 56.503 58.000 0.266 0.000 1.270 247 F CB -0.095 39.044 39.000 0.231 0.000 0.979 247 F HN 0.417 nan 8.300 nan 0.000 0.506 248 F N 1.875 122.076 119.950 0.420 0.000 2.680 248 F HA 0.533 5.060 4.527 -0.000 0.000 0.315 248 F C -1.947 174.077 175.800 0.374 0.000 1.099 248 F CA -1.740 56.464 58.000 0.340 0.000 1.033 248 F CB 1.020 40.197 39.000 0.295 0.000 1.285 248 F HN 0.145 nan 8.300 nan 0.000 0.457 249 Y N 3.892 123.707 120.300 -0.809 0.000 2.592 249 Y HA 0.822 5.372 4.550 -0.000 0.000 0.334 249 Y C -2.420 173.114 175.900 -0.610 0.000 1.136 249 Y CA -1.592 56.230 58.100 -0.464 0.000 1.042 249 Y CB 1.634 40.044 38.460 -0.084 0.000 1.325 249 Y HN 0.600 nan 8.280 nan 0.000 0.457 250 L N 4.206 125.214 121.223 -0.359 0.000 2.482 250 L HA 0.630 4.969 4.340 -0.000 0.000 0.269 250 L C -1.119 175.653 176.870 -0.163 0.000 0.967 250 L CA -0.840 53.753 54.840 -0.412 0.000 0.851 250 L CB 2.232 44.055 42.059 -0.393 0.000 1.242 250 L HN 0.833 nan 8.230 nan 0.000 0.404 251 R N 2.063 122.456 120.500 -0.179 0.000 2.732 251 R HA 0.877 5.217 4.340 -0.000 0.000 0.278 251 R C -0.626 175.606 176.300 -0.112 0.000 0.976 251 R CA -0.992 55.052 56.100 -0.093 0.000 0.963 251 R CB 1.732 31.962 30.300 -0.116 0.000 1.150 251 R HN 0.407 nan 8.270 nan 0.000 0.478 252 R N 1.095 121.558 120.500 -0.061 0.000 2.810 252 R HA 0.137 4.477 4.340 -0.000 0.000 0.280 252 R C -1.580 174.726 176.300 0.010 0.000 1.517 252 R CA -0.271 55.800 56.100 -0.048 0.000 1.063 252 R CB 0.949 31.197 30.300 -0.087 0.000 1.275 252 R HN 0.963 nan 8.270 nan 0.000 0.464 253 E N 3.680 123.902 120.200 0.037 0.000 2.266 253 E HA 0.465 4.815 4.350 -0.000 0.000 0.268 253 E C -1.472 175.173 176.600 0.074 0.000 0.879 253 E CA -0.887 55.561 56.400 0.080 0.000 0.762 253 E CB 2.404 32.189 29.700 0.142 0.000 1.199 253 E HN 0.573 nan 8.360 nan 0.000 0.422 254 Q N 3.002 122.854 119.800 0.086 0.000 2.578 254 Q HA 0.624 4.964 4.340 -0.000 0.000 0.284 254 Q C -1.048 175.014 176.000 0.103 0.000 0.960 254 Q CA -1.097 54.759 55.803 0.088 0.000 0.809 254 Q CB 2.299 31.086 28.738 0.081 0.000 1.462 254 Q HN 0.651 nan 8.270 nan 0.000 0.392 255 M N 1.470 121.143 119.600 0.122 0.000 3.098 255 M HA 0.590 5.070 4.480 -0.000 0.000 0.257 255 M C -2.248 174.142 176.300 0.150 0.000 0.904 255 M CA -0.443 54.913 55.300 0.094 0.000 0.791 255 M CB 1.673 34.297 32.600 0.040 0.000 1.609 255 M HN 1.096 nan 8.290 nan 0.000 0.571 256 F N 0.294 120.257 119.950 0.023 0.000 2.773 256 F HA 0.746 5.273 4.527 -0.000 0.000 0.314 256 F C -1.604 174.191 175.800 -0.009 0.000 1.160 256 F CA -1.018 56.982 58.000 -0.000 0.000 0.920 256 F CB 0.510 39.508 39.000 -0.003 0.000 1.323 256 F HN 0.343 nan 8.300 nan 0.000 0.457 257 V N 2.504 122.539 119.914 0.203 0.000 2.370 257 V HA 0.344 4.464 4.120 -0.000 0.000 0.257 257 V C 1.121 177.249 176.094 0.055 0.000 1.064 257 V CA -0.134 62.173 62.300 0.012 0.000 0.975 257 V CB 0.194 32.027 31.823 0.016 0.000 1.067 257 V HN 0.978 nan 8.190 nan 0.000 0.485 258 R N 3.588 123.990 120.500 -0.163 0.000 2.061 258 R HA 0.008 4.348 4.340 -0.000 0.000 0.230 258 R C 0.464 176.849 176.300 0.142 0.000 1.140 258 R CA 1.590 57.731 56.100 0.069 0.000 0.940 258 R CB -0.075 30.240 30.300 0.024 0.000 0.839 258 R HN 0.804 nan 8.270 nan 0.000 0.429 259 H N -1.995 116.946 119.070 -0.215 0.000 2.907 259 H HA 0.500 5.056 4.556 -0.000 0.000 0.361 259 H C -1.221 173.730 175.328 -0.627 0.000 1.194 259 H CA -0.753 55.023 56.048 -0.453 0.000 1.152 259 H CB 1.527 30.866 29.762 -0.706 0.000 1.867 259 H HN 0.004 nan 8.280 nan 0.000 0.561 260 L N 2.413 123.233 121.223 -0.672 0.000 2.353 260 L HA 0.425 4.765 4.340 -0.000 0.000 0.270 260 L C -0.988 175.426 176.870 -0.759 0.000 1.003 260 L CA -0.269 54.188 54.840 -0.637 0.000 0.862 260 L CB 0.291 42.109 42.059 -0.402 0.000 1.221 260 L HN 0.315 nan 8.230 nan 0.000 0.430 261 F N 0.848 120.548 119.950 -0.417 0.000 2.457 261 F HA 0.403 4.930 4.527 -0.000 0.000 0.330 261 F C 0.669 176.428 175.800 -0.067 0.000 1.069 261 F CA -0.729 57.034 58.000 -0.395 0.000 1.009 261 F CB 1.397 39.955 39.000 -0.737 0.000 1.276 261 F HN 0.410 nan 8.300 nan 0.000 0.492 262 N N 0.827 119.777 118.700 0.417 0.000 2.372 262 N HA 0.292 5.032 4.740 -0.000 0.000 0.291 262 N C -0.914 174.885 175.510 0.482 0.000 1.024 262 N CA -0.832 52.482 53.050 0.441 0.000 0.873 262 N CB 0.976 39.659 38.487 0.327 0.000 1.206 262 N HN 0.301 nan 8.380 nan 0.000 0.486 263 R N 1.247 121.989 120.500 0.405 0.000 2.459 263 R HA 0.454 4.794 4.340 -0.000 0.000 0.281 263 R C -0.258 176.116 176.300 0.124 0.000 1.050 263 R CA -0.328 55.920 56.100 0.246 0.000 1.055 263 R CB 1.117 31.492 30.300 0.125 0.000 1.045 263 R HN 0.547 nan 8.270 nan 0.000 0.495 264 A N 0.307 123.170 122.820 0.071 0.000 2.269 264 A HA 0.790 5.110 4.320 -0.000 0.000 0.327 264 A C 0.148 177.742 177.584 0.017 0.000 1.112 264 A CA 0.081 52.145 52.037 0.046 0.000 0.865 264 A CB 0.930 19.951 19.000 0.035 0.000 1.227 264 A HN 0.812 nan 8.150 nan 0.000 0.498 265 G N -0.870 107.938 108.800 0.013 0.000 2.662 265 G HA2 0.358 4.318 3.960 -0.000 0.000 0.686 265 G HA3 0.358 4.318 3.960 -0.000 0.000 0.686 265 G C -0.045 174.855 174.900 -0.000 0.000 1.271 265 G CA -0.000 45.101 45.100 0.001 0.000 0.816 265 G HN 2.219 nan 8.290 nan 0.000 0.608 266 T N -2.147 112.405 114.554 -0.004 0.000 2.926 266 T HA 0.498 4.848 4.350 -0.000 0.000 0.307 266 T C 0.495 175.187 174.700 -0.015 0.000 1.059 266 T CA -0.005 62.091 62.100 -0.007 0.000 1.122 266 T CB 1.572 70.437 68.868 -0.005 0.000 0.972 266 T HN 1.503 nan 8.240 nan 0.000 0.545 267 V N 4.108 124.010 119.914 -0.020 0.000 2.368 267 V HA 0.414 4.534 4.120 -0.000 0.000 0.266 267 V C 1.665 177.744 176.094 -0.026 0.000 1.045 267 V CA 0.107 62.389 62.300 -0.031 0.000 0.899 267 V CB 0.400 32.194 31.823 -0.048 0.000 1.006 267 V HN 1.212 nan 8.190 nan 0.000 0.470 268 G N 4.692 113.477 108.800 -0.026 0.000 2.433 268 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 268 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 268 G C 0.468 175.355 174.900 -0.021 0.000 1.186 268 G CA 0.215 45.302 45.100 -0.022 0.000 0.779 268 G HN 0.713 nan 8.290 nan 0.000 0.543 269 E N 1.542 121.727 120.200 -0.026 0.000 2.014 269 E HA 0.380 4.730 4.350 -0.000 0.000 0.275 269 E C -0.083 176.503 176.600 -0.023 0.000 0.997 269 E CA -0.355 56.032 56.400 -0.022 0.000 0.804 269 E CB 0.858 30.543 29.700 -0.025 0.000 1.090 269 E HN 0.290 nan 8.360 nan 0.000 0.401 270 T N -0.897 113.650 114.554 -0.012 0.000 2.926 270 T HA 0.143 4.493 4.350 -0.000 0.000 0.307 270 T C 0.684 175.387 174.700 0.006 0.000 1.059 270 T CA -0.933 61.163 62.100 -0.008 0.000 1.122 270 T CB 0.805 69.679 68.868 0.010 0.000 0.972 270 T HN 0.091 nan 8.240 nan 0.000 0.545 271 V N 4.454 124.368 119.914 0.000 0.000 2.599 271 V HA 0.140 4.259 4.120 -0.000 0.000 0.300 271 V C -1.702 174.480 176.094 0.147 0.000 1.034 271 V CA -1.156 61.166 62.300 0.036 0.000 1.115 271 V CB -0.256 31.523 31.823 -0.073 0.000 0.934 271 V HN 0.821 nan 8.190 nan 0.000 0.485 272 P HA 0.111 nan 4.420 nan 0.000 0.261 272 P C 0.669 178.080 177.300 0.185 0.000 1.203 272 P CA 0.219 63.391 63.100 0.120 0.000 0.767 272 P CB 0.815 32.559 31.700 0.074 0.000 0.785 273 A N 4.559 127.441 122.820 0.104 0.000 2.032 273 A HA -0.217 4.102 4.320 -0.000 0.000 0.221 273 A C 1.630 178.980 177.584 -0.389 0.000 1.165 273 A CA 1.890 53.802 52.037 -0.208 0.000 0.645 273 A CB -0.756 18.154 19.000 -0.151 0.000 0.807 273 A HN 0.631 nan 8.150 nan 0.000 0.453 274 D N -0.432 119.881 120.400 -0.145 0.000 2.363 274 D HA -0.017 4.622 4.640 -0.000 0.000 0.226 274 D C 1.494 177.753 176.300 -0.070 0.000 1.020 274 D CA 0.307 54.234 54.000 -0.121 0.000 0.892 274 D CB -0.213 40.551 40.800 -0.060 0.000 0.900 274 D HN 0.514 nan 8.370 nan 0.000 0.531 275 L N -0.472 120.753 121.223 0.004 0.000 2.446 275 L HA 0.072 4.412 4.340 -0.000 0.000 0.219 275 L C 0.336 177.318 176.870 0.188 0.000 1.116 275 L CA 0.272 55.182 54.840 0.118 0.000 0.844 275 L CB -0.060 42.108 42.059 0.182 0.000 0.970 275 L HN 0.149 nan 8.230 nan 0.000 0.457 276 Y N -3.450 116.846 120.300 -0.006 0.000 2.655 276 Y HA 0.576 5.126 4.550 -0.000 0.000 0.336 276 Y C -0.702 175.192 175.900 -0.011 0.000 1.154 276 Y CA -1.610 56.485 58.100 -0.009 0.000 1.055 276 Y CB 0.802 39.255 38.460 -0.012 0.000 1.295 276 Y HN -0.292 nan 8.280 nan 0.000 0.465 277 I N 3.494 124.098 120.570 0.056 0.000 2.304 277 I HA 0.180 4.349 4.170 -0.000 0.000 0.291 277 I C -0.253 175.884 176.117 0.034 0.000 1.018 277 I CA -1.000 60.271 61.300 -0.049 0.000 1.260 277 I CB 0.983 38.983 38.000 -0.001 0.000 1.390 277 I HN 0.506 nan 8.210 nan 0.000 0.475 278 K N 4.694 125.036 120.400 -0.097 0.000 2.502 278 K HA -0.092 4.228 4.320 -0.000 0.000 0.268 278 K C 0.230 176.882 176.600 0.088 0.000 1.025 278 K CA 0.242 56.554 56.287 0.043 0.000 1.139 278 K CB 0.118 32.606 32.500 -0.020 0.000 0.810 278 K HN 0.894 nan 8.250 nan 0.000 0.483 279 G N 2.227 111.102 108.800 0.126 0.000 2.502 279 G HA2 0.182 4.141 3.960 -0.000 0.000 0.311 279 G HA3 0.182 4.141 3.960 -0.000 0.000 0.311 279 G C -0.167 174.761 174.900 0.047 0.000 1.270 279 G CA -0.462 44.676 45.100 0.063 0.000 0.948 279 G HN 0.501 nan 8.290 nan 0.000 0.487 280 T N 1.591 116.170 114.554 0.041 0.000 2.934 280 T HA 0.284 4.634 4.350 -0.000 0.000 0.321 280 T C 0.801 175.535 174.700 0.057 0.000 1.080 280 T CA 1.495 63.622 62.100 0.046 0.000 1.132 280 T CB -0.214 68.678 68.868 0.041 0.000 1.039 280 T HN 1.338 nan 8.240 nan 0.000 0.543 281 T N 1.936 116.535 114.554 0.075 0.000 2.422 281 T HA 0.264 4.614 4.350 -0.000 0.000 0.524 281 T C 0.061 174.850 174.700 0.149 0.000 0.835 281 T CA 0.690 62.863 62.100 0.123 0.000 2.787 281 T CB -1.815 67.148 68.868 0.159 0.000 1.749 281 T HN 1.866 nan 8.240 nan 0.000 0.524 282 G N 1.324 110.209 108.800 0.141 0.000 2.317 282 G HA2 0.360 4.320 3.960 -0.000 0.000 0.445 282 G HA3 0.360 4.320 3.960 -0.000 0.000 0.445 282 G C -0.149 174.799 174.900 0.080 0.000 1.486 282 G CA -0.057 45.136 45.100 0.155 0.000 0.991 282 G HN 0.682 nan 8.290 nan 0.000 0.660 283 T N 0.945 115.550 114.554 0.084 0.000 3.214 283 T HA 0.448 4.798 4.350 -0.000 0.000 0.264 283 T C 0.455 175.157 174.700 0.005 0.000 1.012 283 T CA 0.530 62.660 62.100 0.050 0.000 0.901 283 T CB -0.477 68.425 68.868 0.057 0.000 1.070 283 T HN 1.778 nan 8.240 nan 0.000 0.561 284 L N 2.877 124.072 121.223 -0.047 0.000 2.912 284 L HA -0.092 4.248 4.340 -0.000 0.000 0.582 284 L C -1.920 174.894 176.870 -0.093 0.000 1.001 284 L CA -0.647 54.108 54.840 -0.141 0.000 1.305 284 L CB -0.518 41.409 42.059 -0.219 0.000 1.620 284 L HN 0.154 nan 8.230 nan 0.000 0.785 285 P HA 0.117 nan 4.420 nan 0.000 0.270 285 P C 0.019 177.306 177.300 -0.022 0.000 1.227 285 P CA 0.152 63.259 63.100 0.012 0.000 0.788 285 P CB 0.724 32.448 31.700 0.040 0.000 0.926 286 S N 0.014 115.725 115.700 0.019 0.000 2.563 286 S HA 0.021 4.491 4.470 -0.000 0.000 0.269 286 S C 0.500 175.019 174.600 -0.134 0.000 1.364 286 S CA 0.644 58.828 58.200 -0.027 0.000 1.010 286 S CB -0.550 62.668 63.200 0.029 0.000 0.877 286 S HN 0.552 nan 8.310 nan 0.000 0.549 287 T N 1.540 115.912 114.554 -0.304 0.000 3.475 287 T HA 0.224 4.574 4.350 -0.000 0.000 0.310 287 T C -0.502 173.697 174.700 -0.836 0.000 0.963 287 T CA -0.028 61.643 62.100 -0.716 0.000 0.985 287 T CB -0.133 68.475 68.868 -0.433 0.000 1.198 287 T HN 0.752 nan 8.240 nan 0.000 0.508 288 S N 1.459 116.908 115.700 -0.419 0.000 2.528 288 S HA 0.604 5.074 4.470 -0.000 0.000 0.303 288 S C -0.617 174.011 174.600 0.046 0.000 1.123 288 S CA -0.766 57.324 58.200 -0.183 0.000 1.138 288 S CB -0.013 63.162 63.200 -0.042 0.000 0.984 288 S HN 0.371 nan 8.310 nan 0.000 0.474 289 Y N 2.980 123.382 120.300 0.171 0.000 2.334 289 Y HA 0.656 5.206 4.550 -0.000 0.000 0.328 289 Y C 0.012 176.080 175.900 0.281 0.000 1.130 289 Y CA -1.417 56.788 58.100 0.176 0.000 1.163 289 Y CB 1.033 39.529 38.460 0.060 0.000 1.207 289 Y HN 0.772 nan 8.280 nan 0.000 0.471 290 F N 2.100 122.217 119.950 0.279 0.000 2.608 290 F HA 0.769 5.296 4.527 -0.000 0.000 0.309 290 F C -3.490 172.400 175.800 0.151 0.000 1.103 290 F CA -2.801 55.320 58.000 0.202 0.000 0.954 290 F CB 1.968 41.134 39.000 0.276 0.000 1.267 290 F HN 0.096 nan 8.300 nan 0.000 0.444 291 P HA 0.324 nan 4.420 nan 0.000 0.289 291 P C -1.162 176.036 177.300 -0.170 0.000 1.293 291 P CA -0.385 62.580 63.100 -0.225 0.000 0.897 291 P CB 2.357 33.962 31.700 -0.159 0.000 1.166 292 T N 4.115 118.596 114.554 -0.121 0.000 2.744 292 T HA 0.384 4.734 4.350 -0.000 0.000 0.291 292 T C -2.041 172.608 174.700 -0.086 0.000 0.957 292 T CA -1.263 60.856 62.100 0.032 0.000 1.002 292 T CB 0.686 69.621 68.868 0.112 0.000 0.919 292 T HN 0.403 nan 8.240 nan 0.000 0.468 293 P HA 0.487 nan 4.420 nan 0.000 0.281 293 P C -0.968 176.195 177.300 -0.227 0.000 1.281 293 P CA -0.659 62.338 63.100 -0.170 0.000 0.811 293 P CB 1.320 32.958 31.700 -0.103 0.000 1.154 294 S N -1.506 113.930 115.700 -0.440 0.000 2.566 294 S HA 0.522 4.992 4.470 -0.000 0.000 0.273 294 S C 0.605 175.035 174.600 -0.283 0.000 1.157 294 S CA -0.337 57.581 58.200 -0.470 0.000 0.938 294 S CB 0.533 63.191 63.200 -0.903 0.000 1.087 294 S HN 0.524 nan 8.310 nan 0.000 0.474 295 G N 1.835 110.617 108.800 -0.030 0.000 2.985 295 G HA2 0.339 4.299 3.960 -0.000 0.000 0.209 295 G HA3 0.339 4.299 3.960 -0.000 0.000 0.209 295 G C 0.852 175.837 174.900 0.141 0.000 1.165 295 G CA 0.782 45.923 45.100 0.070 0.000 0.776 295 G HN 1.682 nan 8.290 nan 0.000 0.541 296 S N -1.002 114.825 115.700 0.211 0.000 4.151 296 S HA -0.304 4.166 4.470 -0.000 0.000 0.603 296 S C 0.363 175.069 174.600 0.178 0.000 1.878 296 S CA 1.516 59.914 58.200 0.329 0.000 4.246 296 S CB -1.201 62.182 63.200 0.305 0.000 0.211 296 S HN 0.626 nan 8.310 nan 0.000 0.469 297 M N 1.637 121.315 119.600 0.130 0.000 2.457 297 M HA 0.600 5.080 4.480 -0.000 0.000 0.300 297 M C -1.164 175.177 176.300 0.069 0.000 1.141 297 M CA -0.571 54.781 55.300 0.087 0.000 0.901 297 M CB 1.939 34.578 32.600 0.066 0.000 1.687 297 M HN 0.759 nan 8.290 nan 0.000 0.449 298 V N 1.109 121.058 119.914 0.058 0.000 2.532 298 V HA 0.937 5.056 4.120 -0.000 0.000 0.295 298 V C -0.379 175.737 176.094 0.036 0.000 1.041 298 V CA -0.361 61.969 62.300 0.050 0.000 0.926 298 V CB 1.076 32.931 31.823 0.055 0.000 0.992 298 V HN 0.926 nan 8.190 nan 0.000 0.457 299 T N -0.350 114.221 114.554 0.029 0.000 3.071 299 T HA 0.348 4.698 4.350 -0.000 0.000 0.311 299 T C 0.691 175.400 174.700 0.015 0.000 1.042 299 T CA 0.148 62.260 62.100 0.020 0.000 1.028 299 T CB 1.503 70.380 68.868 0.016 0.000 1.068 299 T HN 0.607 nan 8.240 nan 0.000 0.451 300 S N 2.374 118.083 115.700 0.015 0.000 2.434 300 S HA -0.203 4.267 4.470 -0.000 0.000 0.243 300 S C 1.244 175.848 174.600 0.006 0.000 1.045 300 S CA 2.413 60.620 58.200 0.012 0.000 1.019 300 S CB -0.481 62.725 63.200 0.010 0.000 0.811 300 S HN 0.923 nan 8.310 nan 0.000 0.485 301 D N 1.557 121.960 120.400 0.004 0.000 2.149 301 D HA 0.117 4.757 4.640 -0.000 0.000 0.201 301 D C 2.113 178.408 176.300 -0.008 0.000 0.972 301 D CA 0.919 54.919 54.000 -0.001 0.000 0.835 301 D CB -0.345 40.454 40.800 -0.001 0.000 0.966 301 D HN 0.409 nan 8.370 nan 0.000 0.476 302 A N 0.791 123.606 122.820 -0.009 0.000 2.024 302 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 302 A C 1.123 178.678 177.584 -0.049 0.000 1.164 302 A CA 0.764 52.788 52.037 -0.023 0.000 0.643 302 A CB -0.463 18.530 19.000 -0.011 0.000 0.806 302 A HN 0.096 nan 8.150 nan 0.000 0.451 303 Q N -0.320 119.458 119.800 -0.038 0.000 2.549 303 Q HA -0.079 4.261 4.340 -0.000 0.000 0.347 303 Q C 0.848 176.779 176.000 -0.115 0.000 1.081 303 Q CA 0.526 56.290 55.803 -0.065 0.000 1.093 303 Q CB 0.464 29.198 28.738 -0.007 0.000 1.067 303 Q HN 0.692 nan 8.270 nan 0.000 0.398 304 I N 2.233 122.627 120.570 -0.293 0.000 3.081 304 I HA 0.017 4.187 4.170 -0.000 0.000 0.274 304 I C 0.279 176.294 176.117 -0.171 0.000 1.178 304 I CA 0.249 61.357 61.300 -0.320 0.000 1.460 304 I CB 0.392 38.034 38.000 -0.596 0.000 1.137 304 I HN 0.390 nan 8.210 nan 0.000 0.443 305 F N 1.403 121.434 119.950 0.135 0.000 2.234 305 F HA 0.212 4.739 4.527 -0.000 0.000 0.292 305 F C 1.378 177.159 175.800 -0.031 0.000 1.187 305 F CA -0.111 57.942 58.000 0.089 0.000 1.128 305 F CB -0.056 38.974 39.000 0.049 0.000 1.507 305 F HN 0.029 nan 8.300 nan 0.000 0.512 306 N N -0.623 118.143 118.700 0.109 0.000 2.741 306 N HA -0.225 4.515 4.740 -0.000 0.000 0.251 306 N C -1.412 174.030 175.510 -0.114 0.000 1.112 306 N CA 0.748 53.773 53.050 -0.041 0.000 0.750 306 N CB -0.893 37.596 38.487 0.003 0.000 1.119 306 N HN 0.387 nan 8.380 nan 0.000 0.561 307 K N -0.174 120.103 120.400 -0.205 0.000 2.385 307 K HA 0.515 4.835 4.320 -0.000 0.000 0.248 307 K C -2.713 173.564 176.600 -0.538 0.000 0.955 307 K CA -1.845 54.301 56.287 -0.235 0.000 0.816 307 K CB 2.126 34.582 32.500 -0.074 0.000 1.250 307 K HN -0.171 nan 8.250 nan 0.000 0.434 308 P HA 0.084 nan 4.420 nan 0.000 0.281 308 P C -1.344 175.455 177.300 -0.835 0.000 1.252 308 P CA -0.086 62.541 63.100 -0.788 0.000 0.778 308 P CB 0.303 31.618 31.700 -0.642 0.000 0.895 309 Y N 1.523 121.344 120.300 -0.798 0.000 2.328 309 Y HA 0.302 4.852 4.550 -0.000 0.000 0.337 309 Y C 0.047 175.379 175.900 -0.947 0.000 1.008 309 Y CA -0.925 56.738 58.100 -0.728 0.000 1.129 309 Y CB 1.168 39.201 38.460 -0.711 0.000 1.185 309 Y HN 0.362 nan 8.280 nan 0.000 0.476 310 W N 5.537 126.804 121.300 -0.055 0.000 2.351 310 W HA 0.369 5.029 4.660 -0.000 0.000 0.320 310 W C -0.226 176.238 176.519 -0.092 0.000 0.947 310 W CA -1.017 56.290 57.345 -0.064 0.000 1.565 310 W CB 0.627 30.087 29.460 0.001 0.000 1.409 310 W HN 0.488 nan 8.180 nan 0.000 0.399 311 L N 1.454 122.663 121.223 -0.024 0.000 3.566 311 L HA -0.024 4.316 4.340 -0.000 0.000 0.256 311 L C 1.978 178.901 176.870 0.090 0.000 1.404 311 L CA 0.325 55.160 54.840 -0.010 0.000 1.080 311 L CB -0.706 41.303 42.059 -0.082 0.000 1.522 311 L HN 0.556 nan 8.230 nan 0.000 0.430 312 Q N 0.524 120.413 119.800 0.149 0.000 2.047 312 Q HA -0.210 4.130 4.340 -0.000 0.000 0.211 312 Q C 0.246 176.301 176.000 0.091 0.000 1.005 312 Q CA 1.447 57.323 55.803 0.122 0.000 0.866 312 Q CB -0.324 28.483 28.738 0.114 0.000 0.938 312 Q HN 0.564 nan 8.270 nan 0.000 0.414 313 R N 0.488 121.051 120.500 0.106 0.000 2.409 313 R HA 0.574 4.914 4.340 -0.000 0.000 0.313 313 R C -1.043 175.334 176.300 0.128 0.000 0.953 313 R CA 0.308 56.464 56.100 0.093 0.000 0.849 313 R CB 1.850 32.200 30.300 0.083 0.000 1.171 313 R HN 0.455 nan 8.270 nan 0.000 0.458 314 A N 1.975 124.860 122.820 0.109 0.000 2.448 314 A HA 0.071 4.391 4.320 -0.000 0.000 0.239 314 A C 1.023 178.716 177.584 0.182 0.000 1.080 314 A CA -0.074 52.065 52.037 0.170 0.000 0.779 314 A CB 0.438 19.516 19.000 0.130 0.000 1.026 314 A HN 0.856 nan 8.150 nan 0.000 0.499 315 Q N 1.500 121.444 119.800 0.241 0.000 2.083 315 Q HA 0.197 4.537 4.340 -0.000 0.000 0.198 315 Q C 0.980 177.055 176.000 0.125 0.000 0.969 315 Q CA 1.590 57.505 55.803 0.187 0.000 0.838 315 Q CB -0.727 28.156 28.738 0.243 0.000 0.900 315 Q HN 0.785 nan 8.270 nan 0.000 0.436 316 G N -0.990 107.910 108.800 0.167 0.000 2.641 316 G HA2 0.246 4.206 3.960 -0.000 0.000 0.239 316 G HA3 0.246 4.206 3.960 -0.000 0.000 0.239 316 G C -0.284 174.655 174.900 0.064 0.000 1.402 316 G CA -0.155 45.009 45.100 0.106 0.000 1.046 316 G HN 0.379 nan 8.290 nan 0.000 0.565 317 H N -0.849 118.355 119.070 0.223 0.000 2.491 317 H HA 0.038 4.594 4.556 -0.000 0.000 0.290 317 H C 0.931 176.425 175.328 0.276 0.000 1.050 317 H CA 0.727 56.920 56.048 0.241 0.000 1.309 317 H CB 0.281 30.206 29.762 0.271 0.000 1.392 317 H HN 0.200 nan 8.280 nan 0.000 0.554 318 N N 1.401 120.358 118.700 0.429 0.000 2.414 318 N HA -0.042 4.698 4.740 -0.000 0.000 0.256 318 N C -0.967 174.657 175.510 0.191 0.000 1.029 318 N CA -0.117 53.164 53.050 0.385 0.000 0.948 318 N CB 0.393 39.199 38.487 0.532 0.000 1.102 318 N HN 0.161 nan 8.380 nan 0.000 0.496 319 N N 2.534 121.258 118.700 0.041 0.000 2.719 319 N HA 0.138 4.878 4.740 -0.000 0.000 0.243 319 N C 0.393 175.717 175.510 -0.310 0.000 1.104 319 N CA 0.015 53.013 53.050 -0.087 0.000 0.981 319 N CB -0.170 38.294 38.487 -0.037 0.000 1.290 319 N HN 0.776 nan 8.380 nan 0.000 0.513 320 G N 3.486 111.801 108.800 -0.808 0.000 2.410 320 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.286 320 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.286 320 G C 0.271 174.901 174.900 -0.450 0.000 0.884 320 G CA 0.027 44.407 45.100 -1.201 0.000 1.130 320 G HN 0.540 nan 8.290 nan 0.000 0.492 321 I N 0.311 120.668 120.570 -0.353 0.000 2.294 321 I HA 0.117 4.287 4.170 -0.000 0.000 0.295 321 I C 0.808 176.684 176.117 -0.402 0.000 1.098 321 I CA -1.055 59.965 61.300 -0.467 0.000 1.277 321 I CB 0.470 37.985 38.000 -0.809 0.000 1.434 321 I HN 0.126 nan 8.210 nan 0.000 0.498 322 C N 6.279 125.465 119.300 -0.191 0.000 2.400 322 C HA 0.174 4.634 4.460 -0.000 0.000 0.457 322 C C 0.536 175.516 174.990 -0.016 0.000 1.020 322 C CA -1.071 57.960 59.018 0.021 0.000 1.258 322 C CB -2.086 25.697 27.740 0.071 0.000 1.532 322 C HN 0.608 nan 8.230 nan 0.000 0.537 323 W N 1.551 122.932 121.300 0.136 0.000 2.223 323 W HA 0.264 4.924 4.660 -0.000 0.000 0.334 323 W C 1.309 177.825 176.519 -0.005 0.000 1.334 323 W CA 0.584 57.952 57.345 0.039 0.000 1.246 323 W CB 0.237 29.694 29.460 -0.006 0.000 1.184 323 W HN 0.736 nan 8.180 nan 0.000 0.563 324 S N 1.873 117.697 115.700 0.208 0.000 3.391 324 S HA -0.272 4.198 4.470 -0.000 0.000 0.283 324 S C 0.115 174.755 174.600 0.065 0.000 1.272 324 S CA 0.544 58.786 58.200 0.070 0.000 0.912 324 S CB -1.929 61.313 63.200 0.070 0.000 1.109 324 S HN 0.786 nan 8.310 nan 0.000 0.648 325 N N 0.214 118.962 118.700 0.079 0.000 2.708 325 N HA -0.216 4.523 4.740 -0.000 0.000 0.251 325 N C -0.174 175.307 175.510 -0.048 0.000 1.017 325 N CA 1.464 54.527 53.050 0.022 0.000 0.742 325 N CB -0.739 37.757 38.487 0.015 0.000 0.943 325 N HN 0.766 nan 8.380 nan 0.000 0.539 326 Q N -0.327 119.469 119.800 -0.006 0.000 2.348 326 Q HA 0.762 5.102 4.340 -0.000 0.000 0.271 326 Q C -0.392 175.582 176.000 -0.043 0.000 1.067 326 Q CA -0.594 55.178 55.803 -0.052 0.000 0.839 326 Q CB 2.226 30.996 28.738 0.053 0.000 1.354 326 Q HN 0.217 nan 8.270 nan 0.000 0.447 327 L N 1.701 122.801 121.223 -0.204 0.000 2.445 327 L HA 0.522 4.862 4.340 -0.000 0.000 0.262 327 L C -1.626 175.039 176.870 -0.341 0.000 0.974 327 L CA -0.663 54.117 54.840 -0.101 0.000 0.822 327 L CB 1.778 43.780 42.059 -0.094 0.000 1.339 327 L HN 0.596 nan 8.230 nan 0.000 0.409 328 F N 2.641 122.554 119.950 -0.062 0.000 2.427 328 F HA 0.471 4.997 4.527 -0.000 0.000 0.348 328 F C -0.068 175.744 175.800 0.021 0.000 1.125 328 F CA -0.689 57.254 58.000 -0.096 0.000 0.989 328 F CB 1.861 40.727 39.000 -0.223 0.000 1.165 328 F HN -0.085 nan 8.300 nan 0.000 0.442 329 V N 3.231 123.285 119.914 0.234 0.000 2.334 329 V HA 0.409 4.528 4.120 -0.000 0.000 0.281 329 V C -0.277 175.988 176.094 0.284 0.000 1.016 329 V CA -0.564 61.922 62.300 0.310 0.000 0.832 329 V CB 1.525 33.578 31.823 0.383 0.000 0.999 329 V HN 0.765 nan 8.190 nan 0.000 0.439 330 T N 4.271 118.964 114.554 0.231 0.000 2.824 330 T HA 0.718 5.067 4.350 -0.000 0.000 0.280 330 T C -0.454 174.371 174.700 0.209 0.000 0.995 330 T CA -0.569 61.636 62.100 0.175 0.000 1.009 330 T CB 1.916 70.888 68.868 0.173 0.000 0.955 330 T HN 0.308 nan 8.240 nan 0.000 0.452 331 V N 3.411 123.408 119.914 0.139 0.000 2.655 331 V HA 0.400 4.520 4.120 -0.000 0.000 0.301 331 V C -0.659 175.480 176.094 0.074 0.000 1.082 331 V CA -0.753 61.647 62.300 0.167 0.000 0.899 331 V CB 2.138 34.046 31.823 0.142 0.000 1.014 331 V HN 0.773 nan 8.190 nan 0.000 0.429 332 V N 3.592 123.565 119.914 0.099 0.000 2.459 332 V HA 0.635 4.755 4.120 -0.000 0.000 0.295 332 V C -0.787 175.463 176.094 0.260 0.000 1.029 332 V CA -0.361 61.942 62.300 0.004 0.000 0.874 332 V CB 2.024 33.670 31.823 -0.294 0.000 0.985 332 V HN 0.948 nan 8.190 nan 0.000 0.438 333 D N 2.189 122.742 120.400 0.255 0.000 2.323 333 D HA 0.259 4.899 4.640 -0.000 0.000 0.242 333 D C 0.687 177.145 176.300 0.264 0.000 1.347 333 D CA -0.178 54.030 54.000 0.346 0.000 0.988 333 D CB 1.539 42.630 40.800 0.485 0.000 1.314 333 D HN 0.576 nan 8.370 nan 0.000 0.564 334 T N -0.776 113.909 114.554 0.218 0.000 3.144 334 T HA -0.002 4.348 4.350 -0.000 0.000 0.249 334 T C 1.753 176.551 174.700 0.164 0.000 1.089 334 T CA 0.629 62.848 62.100 0.198 0.000 0.989 334 T CB -0.056 68.925 68.868 0.188 0.000 0.992 334 T HN 0.379 nan 8.240 nan 0.000 0.540 335 T N 0.823 115.474 114.554 0.162 0.000 2.951 335 T HA -0.010 4.340 4.350 -0.000 0.000 0.268 335 T C 1.634 176.399 174.700 0.108 0.000 1.073 335 T CA 0.261 62.435 62.100 0.123 0.000 1.134 335 T CB -0.298 68.644 68.868 0.122 0.000 0.884 335 T HN 0.450 nan 8.240 nan 0.000 0.479 336 R N 1.624 122.202 120.500 0.130 0.000 2.586 336 R HA 0.254 4.594 4.340 -0.000 0.000 0.336 336 R C 1.245 177.607 176.300 0.104 0.000 1.060 336 R CA 0.311 56.471 56.100 0.101 0.000 1.079 336 R CB 0.301 30.659 30.300 0.096 0.000 1.317 336 R HN 0.501 nan 8.270 nan 0.000 0.568 337 S N 0.334 116.096 115.700 0.102 0.000 3.188 337 S HA -0.025 4.445 4.470 -0.000 0.000 0.257 337 S C 0.437 174.912 174.600 -0.209 0.000 1.163 337 S CA -0.349 57.889 58.200 0.063 0.000 1.259 337 S CB -0.689 62.595 63.200 0.140 0.000 0.995 337 S HN 0.104 nan 8.310 nan 0.000 0.474 338 T N 1.423 115.797 114.554 -0.301 0.000 2.882 338 T HA 0.368 4.718 4.350 -0.000 0.000 0.287 338 T C -0.339 174.070 174.700 -0.484 0.000 0.992 338 T CA -0.867 61.061 62.100 -0.288 0.000 1.076 338 T CB 0.570 69.348 68.868 -0.149 0.000 0.961 338 T HN 0.481 nan 8.240 nan 0.000 0.490 339 N N 2.638 121.154 118.700 -0.307 0.000 2.476 339 N HA 0.369 5.109 4.740 -0.000 0.000 0.257 339 N C 0.095 175.505 175.510 -0.167 0.000 0.970 339 N CA -0.680 52.206 53.050 -0.274 0.000 0.938 339 N CB 1.103 39.447 38.487 -0.239 0.000 1.144 339 N HN 0.689 nan 8.380 nan 0.000 0.500 340 M N 0.605 120.133 119.600 -0.120 0.000 2.235 340 M HA 0.375 4.855 4.480 -0.000 0.000 0.351 340 M C -0.477 175.783 176.300 -0.066 0.000 1.178 340 M CA -0.263 54.993 55.300 -0.072 0.000 1.143 340 M CB 0.915 33.491 32.600 -0.040 0.000 1.530 340 M HN 0.277 nan 8.290 nan 0.000 0.461 341 S N 3.412 119.086 115.700 -0.043 0.000 2.422 341 S HA 0.560 5.030 4.470 -0.000 0.000 0.308 341 S C -0.096 174.523 174.600 0.031 0.000 1.097 341 S CA -0.933 57.257 58.200 -0.016 0.000 1.099 341 S CB 0.704 63.894 63.200 -0.017 0.000 0.976 341 S HN 0.766 nan 8.310 nan 0.000 0.471 342 V N 1.018 120.976 119.914 0.073 0.000 2.432 342 V HA 0.645 4.765 4.120 -0.000 0.000 0.275 342 V C 0.226 176.430 176.094 0.185 0.000 1.043 342 V CA -1.023 61.333 62.300 0.094 0.000 0.925 342 V CB 0.178 32.031 31.823 0.050 0.000 0.985 342 V HN 1.078 nan 8.190 nan 0.000 0.466 343 C N 5.193 124.589 119.300 0.160 0.000 2.293 343 C HA 0.764 5.224 4.460 -0.000 0.000 0.323 343 C C 0.288 175.424 174.990 0.242 0.000 1.240 343 C CA 0.109 59.262 59.018 0.224 0.000 1.497 343 C CB 0.203 28.041 27.740 0.164 0.000 2.171 343 C HN 1.152 nan 8.230 nan 0.000 0.465 344 S N 3.844 119.711 115.700 0.279 0.000 2.549 344 S HA 0.822 5.292 4.470 -0.000 0.000 0.297 344 S C 0.034 174.740 174.600 0.176 0.000 1.115 344 S CA -0.165 58.153 58.200 0.197 0.000 1.059 344 S CB 1.305 64.567 63.200 0.103 0.000 1.046 344 S HN 1.379 nan 8.310 nan 0.000 0.506 345 A N 3.284 126.138 122.820 0.058 0.000 2.310 345 A HA 0.540 4.860 4.320 -0.000 0.000 0.299 345 A C 1.043 178.537 177.584 -0.151 0.000 1.147 345 A CA -0.634 51.291 52.037 -0.187 0.000 0.818 345 A CB 0.635 19.500 19.000 -0.226 0.000 1.096 345 A HN 0.788 nan 8.150 nan 0.000 0.495 346 V N 1.597 121.378 119.914 -0.221 0.000 2.379 346 V HA -0.028 4.092 4.120 -0.000 0.000 0.245 346 V C 0.995 177.005 176.094 -0.141 0.000 1.044 346 V CA 2.085 64.297 62.300 -0.146 0.000 1.036 346 V CB -0.673 31.056 31.823 -0.158 0.000 0.664 346 V HN 1.073 nan 8.190 nan 0.000 0.453 347 S N -1.146 114.437 115.700 -0.196 0.000 2.626 347 S HA 0.279 4.749 4.470 -0.000 0.000 0.275 347 S C -0.086 174.423 174.600 -0.151 0.000 1.175 347 S CA 0.017 58.136 58.200 -0.135 0.000 0.982 347 S CB 1.573 64.711 63.200 -0.103 0.000 1.093 347 S HN 0.312 nan 8.310 nan 0.000 0.472 348 S N 1.163 116.808 115.700 -0.091 0.000 2.768 348 S HA 0.153 4.623 4.470 -0.000 0.000 0.246 348 S C 1.117 175.700 174.600 -0.028 0.000 1.006 348 S CA 0.007 58.175 58.200 -0.052 0.000 1.075 348 S CB -0.730 62.466 63.200 -0.008 0.000 0.786 348 S HN 1.055 nan 8.310 nan 0.000 0.468 349 S N 0.044 115.717 115.700 -0.044 0.000 2.535 349 S HA 0.126 4.596 4.470 -0.000 0.000 0.214 349 S C 0.171 174.760 174.600 -0.019 0.000 0.980 349 S CA -0.515 57.670 58.200 -0.025 0.000 0.907 349 S CB -0.130 63.051 63.200 -0.031 0.000 0.790 349 S HN 0.499 nan 8.310 nan 0.000 0.510 350 D N 2.178 122.562 120.400 -0.028 0.000 2.348 350 D HA 0.322 4.961 4.640 -0.000 0.000 0.249 350 D C 0.594 176.915 176.300 0.034 0.000 1.110 350 D CA 0.065 54.062 54.000 -0.005 0.000 0.967 350 D CB 1.501 42.287 40.800 -0.024 0.000 1.139 350 D HN 0.399 nan 8.370 nan 0.000 0.466 351 S N -1.738 113.990 115.700 0.046 0.000 2.733 351 S HA 0.142 4.612 4.470 -0.000 0.000 0.247 351 S C 0.186 174.839 174.600 0.088 0.000 1.043 351 S CA -0.326 57.912 58.200 0.063 0.000 1.066 351 S CB 0.408 63.635 63.200 0.044 0.000 1.045 351 S HN 0.332 nan 8.310 nan 0.000 0.586 352 T N 2.054 116.667 114.554 0.099 0.000 2.848 352 T HA 0.403 4.753 4.350 -0.000 0.000 0.285 352 T C -1.433 173.382 174.700 0.192 0.000 0.995 352 T CA -0.436 61.743 62.100 0.133 0.000 0.970 352 T CB 1.109 70.034 68.868 0.095 0.000 0.976 352 T HN 0.290 nan 8.240 nan 0.000 0.441 353 Y N 3.652 124.019 120.300 0.112 0.000 2.632 353 Y HA 0.232 4.782 4.550 -0.000 0.000 0.329 353 Y C 0.289 176.298 175.900 0.182 0.000 1.174 353 Y CA 0.409 58.611 58.100 0.170 0.000 1.469 353 Y CB 0.165 38.661 38.460 0.060 0.000 1.242 353 Y HN 0.420 nan 8.280 nan 0.000 0.540 354 K N 5.056 125.339 120.400 -0.195 0.000 2.443 354 K HA 0.234 4.554 4.320 -0.000 0.000 0.252 354 K C 0.147 176.647 176.600 -0.166 0.000 0.933 354 K CA -0.802 55.413 56.287 -0.121 0.000 0.792 354 K CB 1.703 34.174 32.500 -0.050 0.000 1.185 354 K HN 0.610 nan 8.250 nan 0.000 0.425 355 N N 1.170 119.833 118.700 -0.062 0.000 2.166 355 N HA -0.168 4.571 4.740 -0.000 0.000 0.186 355 N C 0.646 176.190 175.510 0.058 0.000 1.019 355 N CA 1.157 54.237 53.050 0.050 0.000 0.856 355 N CB 0.086 38.635 38.487 0.102 0.000 0.993 355 N HN 0.528 nan 8.380 nan 0.000 0.426 356 D N 0.033 120.432 120.400 -0.002 0.000 2.263 356 D HA -0.116 4.524 4.640 -0.000 0.000 0.208 356 D C 1.032 177.275 176.300 -0.096 0.000 0.971 356 D CA 0.805 54.787 54.000 -0.030 0.000 0.867 356 D CB -0.331 40.446 40.800 -0.038 0.000 0.929 356 D HN 0.298 nan 8.370 nan 0.000 0.492 357 N N -1.162 117.421 118.700 -0.196 0.000 2.461 357 N HA -0.012 4.728 4.740 -0.000 0.000 0.188 357 N C -0.766 174.191 175.510 -0.922 0.000 1.134 357 N CA 0.188 52.918 53.050 -0.534 0.000 0.878 357 N CB 0.210 38.299 38.487 -0.663 0.000 0.972 357 N HN -0.085 nan 8.380 nan 0.000 0.456 358 F N -0.484 119.404 119.950 -0.103 0.000 2.588 358 F HA 0.487 5.014 4.527 -0.000 0.000 0.314 358 F C -0.196 175.598 175.800 -0.009 0.000 1.069 358 F CA -1.028 56.947 58.000 -0.040 0.000 0.931 358 F CB 1.768 40.740 39.000 -0.046 0.000 1.260 358 F HN -0.412 nan 8.300 nan 0.000 0.465 359 K N 1.908 122.440 120.400 0.220 0.000 2.535 359 K HA 0.297 4.617 4.320 -0.000 0.000 0.253 359 K C -1.020 175.651 176.600 0.118 0.000 0.953 359 K CA -0.823 55.527 56.287 0.106 0.000 0.863 359 K CB 1.815 34.412 32.500 0.162 0.000 1.111 359 K HN 0.488 nan 8.250 nan 0.000 0.431 360 E N 2.375 122.539 120.200 -0.060 0.000 2.313 360 E HA 0.214 4.564 4.350 -0.000 0.000 0.276 360 E C -0.783 175.633 176.600 -0.305 0.000 1.031 360 E CA -0.028 56.350 56.400 -0.037 0.000 0.857 360 E CB 0.881 30.575 29.700 -0.010 0.000 1.040 360 E HN 0.342 nan 8.360 nan 0.000 0.408 361 Y N 0.414 120.724 120.300 0.015 0.000 2.553 361 Y HA 0.412 4.962 4.550 -0.000 0.000 0.347 361 Y C -0.026 175.808 175.900 -0.111 0.000 1.019 361 Y CA -0.814 57.276 58.100 -0.015 0.000 1.032 361 Y CB 1.431 39.898 38.460 0.012 0.000 1.284 361 Y HN 0.252 nan 8.280 nan 0.000 0.466 362 L N 3.545 124.696 121.223 -0.120 0.000 2.307 362 L HA 0.695 5.034 4.340 -0.000 0.000 0.284 362 L C -0.522 176.165 176.870 -0.305 0.000 1.023 362 L CA -0.808 53.819 54.840 -0.355 0.000 0.810 362 L CB 1.186 42.766 42.059 -0.798 0.000 1.231 362 L HN 0.511 nan 8.230 nan 0.000 0.423 363 R N 1.986 122.380 120.500 -0.176 0.000 2.510 363 R HA 0.313 4.653 4.340 -0.000 0.000 0.287 363 R C -1.483 174.822 176.300 0.008 0.000 1.084 363 R CA -0.734 55.325 56.100 -0.068 0.000 0.934 363 R CB 2.040 32.332 30.300 -0.013 0.000 1.201 363 R HN 0.689 nan 8.270 nan 0.000 0.431 364 H N 0.351 119.382 119.070 -0.065 0.000 2.489 364 H HA 0.598 5.154 4.556 -0.000 0.000 0.343 364 H C -0.474 174.876 175.328 0.036 0.000 1.086 364 H CA -0.704 55.334 56.048 -0.018 0.000 1.198 364 H CB 1.810 31.560 29.762 -0.020 0.000 1.490 364 H HN 0.760 nan 8.280 nan 0.000 0.504 365 G N 3.883 112.929 108.800 0.410 0.000 2.502 365 G HA2 0.228 4.188 3.960 -0.000 0.000 0.311 365 G HA3 0.228 4.188 3.960 -0.000 0.000 0.311 365 G C -0.965 174.088 174.900 0.254 0.000 1.270 365 G CA -0.509 44.728 45.100 0.228 0.000 0.948 365 G HN 0.533 nan 8.290 nan 0.000 0.487 366 E N 0.732 121.047 120.200 0.192 0.000 2.231 366 E HA 0.435 4.785 4.350 -0.000 0.000 0.277 366 E C -0.473 176.260 176.600 0.223 0.000 0.999 366 E CA -0.410 56.131 56.400 0.235 0.000 0.827 366 E CB 1.738 31.676 29.700 0.396 0.000 1.101 366 E HN 0.562 nan 8.360 nan 0.000 0.393 367 E N 2.915 123.137 120.200 0.037 0.000 2.241 367 E HA 0.274 4.624 4.350 -0.000 0.000 0.263 367 E C -1.294 175.106 176.600 -0.333 0.000 0.882 367 E CA -0.571 55.824 56.400 -0.009 0.000 0.769 367 E CB 0.772 30.467 29.700 -0.009 0.000 1.185 367 E HN 0.406 nan 8.360 nan 0.000 0.415 368 Y N 1.502 121.746 120.300 -0.094 0.000 2.549 368 Y HA 0.454 5.004 4.550 -0.000 0.000 0.339 368 Y C -0.007 175.741 175.900 -0.254 0.000 1.053 368 Y CA -0.815 57.147 58.100 -0.230 0.000 1.105 368 Y CB 1.741 39.959 38.460 -0.403 0.000 1.258 368 Y HN 0.391 nan 8.280 nan 0.000 0.478 369 D N 1.716 122.018 120.400 -0.164 0.000 2.977 369 D HA 0.327 4.967 4.640 -0.000 0.000 0.220 369 D C -1.995 174.141 176.300 -0.273 0.000 1.267 369 D CA -0.304 53.584 54.000 -0.188 0.000 0.884 369 D CB 1.550 42.266 40.800 -0.140 0.000 1.667 369 D HN 0.566 nan 8.370 nan 0.000 0.536 370 L N 3.266 124.299 121.223 -0.316 0.000 2.316 370 L HA 0.413 4.752 4.340 -0.000 0.000 0.280 370 L C -0.043 176.441 176.870 -0.642 0.000 1.006 370 L CA -0.532 54.041 54.840 -0.445 0.000 0.836 370 L CB 1.764 43.666 42.059 -0.261 0.000 1.221 370 L HN 0.276 nan 8.230 nan 0.000 0.418 371 Q N 2.944 122.156 119.800 -0.981 0.000 2.377 371 Q HA 0.716 5.056 4.340 -0.000 0.000 0.271 371 Q C -1.449 173.570 176.000 -1.635 0.000 1.077 371 Q CA -0.610 54.593 55.803 -1.000 0.000 0.820 371 Q CB 3.091 31.507 28.738 -0.537 0.000 1.347 371 Q HN 0.355 nan 8.270 nan 0.000 0.444 372 F N 0.312 119.834 119.950 -0.713 0.000 2.726 372 F HA 0.670 5.197 4.527 -0.000 0.000 0.324 372 F C -0.557 174.626 175.800 -1.029 0.000 1.140 372 F CA -0.900 56.554 58.000 -0.910 0.000 0.964 372 F CB 1.648 39.913 39.000 -1.225 0.000 1.399 372 F HN 0.284 nan 8.300 nan 0.000 0.491 373 I N 1.488 121.495 120.570 -0.937 0.000 2.686 373 I HA 0.202 4.372 4.170 -0.000 0.000 0.280 373 I C -1.731 174.021 176.117 -0.608 0.000 1.322 373 I CA -0.088 60.812 61.300 -0.667 0.000 1.107 373 I CB 1.358 39.088 38.000 -0.450 0.000 1.366 373 I HN 0.333 nan 8.210 nan 0.000 0.443 374 F N 3.997 123.821 119.950 -0.209 0.000 2.470 374 F HA 0.563 5.090 4.527 -0.000 0.000 0.329 374 F C 0.350 176.178 175.800 0.047 0.000 1.072 374 F CA -0.597 57.355 58.000 -0.078 0.000 0.989 374 F CB 1.368 40.250 39.000 -0.197 0.000 1.193 374 F HN 0.331 nan 8.300 nan 0.000 0.481 375 Q N 1.998 121.960 119.800 0.270 0.000 2.316 375 Q HA 0.418 4.758 4.340 -0.000 0.000 0.264 375 Q C -1.248 174.835 176.000 0.139 0.000 0.987 375 Q CA -1.289 54.469 55.803 -0.075 0.000 0.852 375 Q CB 2.069 30.607 28.738 -0.333 0.000 1.287 375 Q HN 0.693 nan 8.270 nan 0.000 0.448 376 L N 3.893 125.113 121.223 -0.004 0.000 2.513 376 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 376 L C -1.369 175.314 176.870 -0.311 0.000 1.187 376 L CA 0.561 55.189 54.840 -0.352 0.000 0.895 376 L CB 0.139 41.882 42.059 -0.525 0.000 1.147 376 L HN 0.717 nan 8.230 nan 0.000 0.483 377 C N 5.156 124.252 119.300 -0.340 0.000 2.547 377 C HA 0.619 5.079 4.460 -0.000 0.000 0.313 377 C C -0.346 174.512 174.990 -0.220 0.000 1.191 377 C CA -1.178 57.703 59.018 -0.227 0.000 1.474 377 C CB 1.565 29.206 27.740 -0.164 0.000 2.081 377 C HN 0.871 nan 8.230 nan 0.000 0.476 378 K N 2.241 122.558 120.400 -0.139 0.000 2.244 378 K HA 0.847 5.167 4.320 -0.000 0.000 0.260 378 K C -1.524 175.085 176.600 0.016 0.000 0.951 378 K CA -0.326 55.908 56.287 -0.088 0.000 0.826 378 K CB 1.119 33.580 32.500 -0.064 0.000 1.108 378 K HN 0.715 nan 8.250 nan 0.000 0.433 379 I N 2.659 123.243 120.570 0.024 0.000 2.406 379 I HA 0.159 4.329 4.170 -0.000 0.000 0.290 379 I C -0.600 175.548 176.117 0.053 0.000 0.999 379 I CA -0.858 60.507 61.300 0.108 0.000 1.124 379 I CB 2.357 40.488 38.000 0.219 0.000 1.289 379 I HN 0.658 nan 8.210 nan 0.000 0.441 380 T N 7.282 121.889 114.554 0.088 0.000 2.762 380 T HA 0.377 4.726 4.350 -0.000 0.000 0.303 380 T C 0.305 175.044 174.700 0.065 0.000 0.977 380 T CA -0.486 61.646 62.100 0.054 0.000 0.961 380 T CB 0.105 69.006 68.868 0.055 0.000 0.944 380 T HN 0.303 nan 8.240 nan 0.000 0.481 381 L N 5.315 126.562 121.223 0.040 0.000 2.774 381 L HA 0.139 4.479 4.340 -0.000 0.000 0.279 381 L C 1.360 178.261 176.870 0.052 0.000 1.137 381 L CA -0.134 54.745 54.840 0.065 0.000 1.021 381 L CB -0.930 41.160 42.059 0.052 0.000 1.366 381 L HN 0.691 nan 8.230 nan 0.000 0.471 382 T N -0.950 113.641 114.554 0.062 0.000 2.949 382 T HA 0.587 4.937 4.350 -0.000 0.000 0.287 382 T C 1.178 175.904 174.700 0.044 0.000 1.034 382 T CA -0.230 61.897 62.100 0.046 0.000 1.018 382 T CB 2.037 70.933 68.868 0.046 0.000 1.135 382 T HN 0.389 nan 8.240 nan 0.000 0.532 383 A N 1.136 123.975 122.820 0.032 0.000 1.884 383 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 383 A C 1.989 179.591 177.584 0.031 0.000 1.197 383 A CA 2.294 54.346 52.037 0.026 0.000 0.637 383 A CB -1.312 17.699 19.000 0.018 0.000 0.827 383 A HN 0.966 nan 8.150 nan 0.000 0.450 384 D N -0.372 120.047 120.400 0.032 0.000 2.078 384 D HA -0.115 4.525 4.640 -0.000 0.000 0.193 384 D C 2.182 178.510 176.300 0.046 0.000 0.990 384 D CA 1.885 55.905 54.000 0.034 0.000 0.827 384 D CB -0.568 40.247 40.800 0.024 0.000 0.975 384 D HN 0.253 nan 8.370 nan 0.000 0.451 385 V N 1.467 121.405 119.914 0.040 0.000 2.324 385 V HA -0.279 3.841 4.120 -0.000 0.000 0.250 385 V C 2.589 178.724 176.094 0.068 0.000 1.060 385 V CA 1.577 63.898 62.300 0.034 0.000 1.042 385 V CB -0.506 31.360 31.823 0.072 0.000 0.650 385 V HN 0.192 nan 8.190 nan 0.000 0.450 386 M N -0.338 119.309 119.600 0.077 0.000 2.156 386 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 386 M C 2.328 178.676 176.300 0.080 0.000 1.067 386 M CA 1.980 57.333 55.300 0.090 0.000 1.131 386 M CB -0.671 31.986 32.600 0.094 0.000 1.368 386 M HN 0.416 nan 8.290 nan 0.000 0.416 387 T N -0.208 114.380 114.554 0.057 0.000 2.684 387 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 387 T C 1.544 176.275 174.700 0.052 0.000 1.036 387 T CA 1.580 63.699 62.100 0.031 0.000 1.148 387 T CB -0.628 68.247 68.868 0.011 0.000 0.863 387 T HN 0.404 nan 8.240 nan 0.000 0.436 388 Y N 1.741 122.009 120.300 -0.053 0.000 2.128 388 Y HA -0.140 4.410 4.550 -0.000 0.000 0.284 388 Y C 2.040 177.870 175.900 -0.117 0.000 1.154 388 Y CA 0.976 59.026 58.100 -0.083 0.000 1.149 388 Y CB -0.501 37.855 38.460 -0.173 0.000 0.976 388 Y HN 0.177 nan 8.280 nan 0.000 0.505 389 I N -0.840 119.652 120.570 -0.131 0.000 2.163 389 I HA -0.355 3.815 4.170 -0.000 0.000 0.240 389 I C 2.587 178.496 176.117 -0.346 0.000 1.081 389 I CA 1.646 62.760 61.300 -0.309 0.000 1.353 389 I CB -0.903 36.982 38.000 -0.192 0.000 1.054 389 I HN 0.364 nan 8.210 nan 0.000 0.407 390 H N 1.826 120.754 119.070 -0.236 0.000 2.260 390 H HA -0.242 4.314 4.556 -0.000 0.000 0.288 390 H C 2.339 177.529 175.328 -0.230 0.000 1.094 390 H CA 2.618 58.547 56.048 -0.198 0.000 1.197 390 H CB -0.244 29.449 29.762 -0.115 0.000 1.346 390 H HN 0.263 nan 8.280 nan 0.000 0.486 391 S N 0.923 116.631 115.700 0.013 0.000 2.419 391 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 391 S C 2.319 176.818 174.600 -0.170 0.000 1.016 391 S CA 1.321 59.505 58.200 -0.026 0.000 0.974 391 S CB -0.213 62.971 63.200 -0.027 0.000 0.786 391 S HN 0.479 nan 8.310 nan 0.000 0.492 392 M N 1.555 120.924 119.600 -0.386 0.000 2.153 392 M HA 0.021 4.501 4.480 -0.000 0.000 0.257 392 M C 0.367 176.326 176.300 -0.569 0.000 1.107 392 M CA 1.519 56.393 55.300 -0.710 0.000 1.109 392 M CB -0.044 31.914 32.600 -1.071 0.000 1.240 392 M HN 0.211 nan 8.290 nan 0.000 0.436 393 N N 0.078 118.427 118.700 -0.585 0.000 2.540 393 N HA 0.262 5.002 4.740 -0.000 0.000 0.275 393 N C -2.285 172.929 175.510 -0.492 0.000 1.053 393 N CA -1.602 51.159 53.050 -0.482 0.000 0.876 393 N CB 1.919 40.114 38.487 -0.485 0.000 1.284 393 N HN 0.132 nan 8.380 nan 0.000 0.518 394 P HA -0.238 nan 4.420 nan 0.000 0.215 394 P C 1.136 178.198 177.300 -0.397 0.000 1.163 394 P CA 1.507 64.250 63.100 -0.594 0.000 0.894 394 P CB 0.241 31.595 31.700 -0.577 0.000 0.791 395 S N 1.296 116.807 115.700 -0.316 0.000 2.425 395 S HA -0.264 4.206 4.470 -0.000 0.000 0.256 395 S C 2.094 176.473 174.600 -0.369 0.000 1.101 395 S CA 2.177 60.214 58.200 -0.271 0.000 1.188 395 S CB -1.758 61.312 63.200 -0.217 0.000 1.085 395 S HN 0.194 nan 8.310 nan 0.000 0.439 396 I N 1.199 121.468 120.570 -0.503 0.000 2.113 396 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 396 I C 2.410 177.981 176.117 -0.911 0.000 1.064 396 I CA 1.605 62.401 61.300 -0.840 0.000 1.320 396 I CB -0.460 36.975 38.000 -0.941 0.000 1.028 396 I HN 0.214 nan 8.210 nan 0.000 0.406 397 L N -0.071 120.878 121.223 -0.455 0.000 2.095 397 L HA -0.135 4.205 4.340 -0.000 0.000 0.204 397 L C 2.574 179.433 176.870 -0.018 0.000 1.080 397 L CA 1.202 55.986 54.840 -0.095 0.000 0.759 397 L CB -0.408 41.635 42.059 -0.026 0.000 0.914 397 L HN 0.201 nan 8.230 nan 0.000 0.439 398 E N -0.009 120.128 120.200 -0.105 0.000 2.085 398 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 398 E C 1.584 178.169 176.600 -0.025 0.000 0.994 398 E CA 1.354 57.724 56.400 -0.049 0.000 0.801 398 E CB -0.109 29.543 29.700 -0.081 0.000 0.743 398 E HN 0.463 nan 8.360 nan 0.000 0.453 399 D N -0.100 120.240 120.400 -0.100 0.000 2.264 399 D HA -0.132 4.508 4.640 -0.000 0.000 0.208 399 D C 0.625 176.977 176.300 0.087 0.000 0.966 399 D CA 0.595 54.556 54.000 -0.066 0.000 0.864 399 D CB -0.096 40.608 40.800 -0.161 0.000 0.933 399 D HN 0.291 nan 8.370 nan 0.000 0.499 400 W N 2.727 124.035 121.300 0.014 0.000 3.278 400 W HA 0.082 4.742 4.660 -0.000 0.000 0.375 400 W C 0.392 176.923 176.519 0.019 0.000 1.110 400 W CA -0.023 57.336 57.345 0.023 0.000 1.814 400 W CB -1.589 27.891 29.460 0.034 0.000 0.899 400 W HN 0.134 nan 8.180 nan 0.000 0.774 441 L N 0.712 122.007 121.223 0.120 0.000 3.267 441 L HA 0.379 4.718 4.340 -0.000 0.000 0.289 441 L C 1.660 178.534 176.870 0.007 0.000 1.260 441 L CA -0.183 54.785 54.840 0.213 0.000 1.034 441 L CB 0.875 43.254 42.059 0.532 0.000 1.413 441 L HN -0.072 nan 8.230 nan 0.000 0.594 442 K N 0.833 121.197 120.400 -0.060 0.000 2.444 442 K HA -0.156 4.164 4.320 -0.000 0.000 0.200 442 K C 0.861 177.340 176.600 -0.201 0.000 1.045 442 K CA 1.292 57.520 56.287 -0.099 0.000 0.934 442 K CB 0.211 32.659 32.500 -0.086 0.000 0.756 442 K HN 0.443 nan 8.250 nan 0.000 0.477 443 N N -0.827 117.627 118.700 -0.410 0.000 2.220 443 N HA 0.003 4.743 4.740 -0.000 0.000 0.195 443 N C -0.667 174.515 175.510 -0.547 0.000 1.123 443 N CA 0.202 52.950 53.050 -0.504 0.000 0.874 443 N CB 0.457 38.582 38.487 -0.604 0.000 0.995 443 N HN 0.119 nan 8.380 nan 0.000 0.498 444 Y N 1.325 121.482 120.300 -0.239 0.000 2.328 444 Y HA 0.280 4.830 4.550 -0.000 0.000 0.337 444 Y C 0.643 176.130 175.900 -0.689 0.000 1.008 444 Y CA -1.113 56.690 58.100 -0.497 0.000 1.129 444 Y CB 1.077 39.135 38.460 -0.671 0.000 1.185 444 Y HN -0.170 nan 8.280 nan 0.000 0.476 445 T N 1.458 115.770 114.554 -0.403 0.000 2.744 445 T HA 0.590 4.940 4.350 -0.000 0.000 0.291 445 T C -0.776 173.742 174.700 -0.304 0.000 0.957 445 T CA -0.549 61.368 62.100 -0.305 0.000 1.002 445 T CB 0.034 68.820 68.868 -0.136 0.000 0.919 445 T HN 0.399 nan 8.240 nan 0.000 0.468 446 F N 1.053 121.078 119.950 0.126 0.000 2.577 446 F HA 0.421 4.947 4.527 -0.000 0.000 0.318 446 F C 0.028 175.920 175.800 0.152 0.000 1.065 446 F CA -1.697 56.390 58.000 0.144 0.000 0.929 446 F CB 1.552 40.672 39.000 0.201 0.000 1.237 446 F HN 0.576 nan 8.300 nan 0.000 0.468 447 W N 4.865 126.269 121.300 0.173 0.000 2.655 447 W HA 0.093 4.753 4.660 -0.000 0.000 0.333 447 W C -0.383 176.259 176.519 0.205 0.000 1.382 447 W CA -0.413 57.014 57.345 0.137 0.000 1.398 447 W CB 0.033 29.517 29.460 0.041 0.000 1.481 447 W HN 0.482 nan 8.180 nan 0.000 0.526 448 E N 4.552 125.047 120.200 0.492 0.000 2.257 448 E HA 0.143 4.493 4.350 -0.000 0.000 0.278 448 E C -0.672 176.140 176.600 0.354 0.000 1.049 448 E CA -0.286 56.310 56.400 0.326 0.000 0.876 448 E CB 2.014 31.834 29.700 0.200 0.000 1.035 448 E HN 0.109 nan 8.360 nan 0.000 0.419 449 V N 4.050 124.084 119.914 0.199 0.000 2.326 449 V HA 0.070 4.190 4.120 -0.000 0.000 0.281 449 V C -0.206 175.916 176.094 0.047 0.000 1.015 449 V CA -0.752 61.620 62.300 0.120 0.000 0.823 449 V CB 1.622 33.448 31.823 0.005 0.000 1.009 449 V HN 0.498 nan 8.190 nan 0.000 0.436 450 D N 5.175 125.614 120.400 0.066 0.000 2.317 450 D HA 0.350 4.990 4.640 -0.000 0.000 0.234 450 D C 0.305 176.630 176.300 0.042 0.000 1.112 450 D CA -0.233 53.787 54.000 0.033 0.000 0.840 450 D CB 1.648 42.476 40.800 0.047 0.000 1.078 450 D HN 0.465 nan 8.370 nan 0.000 0.486 451 L N 3.627 124.862 121.223 0.020 0.000 2.872 451 L HA 0.252 4.592 4.340 -0.000 0.000 0.245 451 L C 1.995 178.923 176.870 0.097 0.000 1.211 451 L CA -0.413 54.491 54.840 0.106 0.000 1.013 451 L CB 0.216 42.394 42.059 0.198 0.000 1.326 451 L HN 0.142 nan 8.230 nan 0.000 0.525 452 K N 0.812 121.209 120.400 -0.005 0.000 2.063 452 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 452 K C 1.443 178.071 176.600 0.048 0.000 1.048 452 K CA 1.393 57.634 56.287 -0.077 0.000 0.928 452 K CB 0.172 32.650 32.500 -0.037 0.000 0.713 452 K HN 0.096 nan 8.250 nan 0.000 0.442 453 E N 0.413 120.682 120.200 0.116 0.000 2.463 453 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 453 E C -0.187 176.550 176.600 0.228 0.000 1.041 453 E CA 0.296 56.803 56.400 0.179 0.000 0.879 453 E CB 0.430 30.212 29.700 0.135 0.000 0.997 453 E HN -0.065 nan 8.360 nan 0.000 0.478 454 K N 0.404 120.960 120.400 0.259 0.000 2.965 454 K HA 0.186 4.506 4.320 -0.000 0.000 0.216 454 K C -0.837 175.930 176.600 0.279 0.000 1.164 454 K CA -0.197 56.236 56.287 0.244 0.000 1.153 454 K CB -0.093 32.518 32.500 0.184 0.000 1.045 454 K HN -0.006 nan 8.250 nan 0.000 0.460 455 F N -0.034 120.004 119.950 0.147 0.000 2.520 455 F HA 0.348 4.875 4.527 -0.000 0.000 0.322 455 F C 0.107 176.111 175.800 0.341 0.000 1.103 455 F CA -0.941 57.163 58.000 0.173 0.000 0.926 455 F CB 2.144 41.173 39.000 0.049 0.000 1.154 455 F HN -0.218 nan 8.300 nan 0.000 0.453 456 S N 1.975 117.867 115.700 0.320 0.000 2.677 456 S HA 0.648 5.118 4.470 -0.000 0.000 0.283 456 S C 0.144 174.729 174.600 -0.025 0.000 1.159 456 S CA -0.120 58.219 58.200 0.232 0.000 1.001 456 S CB 1.335 64.621 63.200 0.144 0.000 1.032 456 S HN 0.789 nan 8.310 nan 0.000 0.487 457 A N 3.022 125.742 122.820 -0.166 0.000 2.238 457 A HA 0.213 4.533 4.320 -0.000 0.000 0.208 457 A C 0.193 177.694 177.584 -0.138 0.000 1.177 457 A CA 0.387 52.098 52.037 -0.544 0.000 0.804 457 A CB -0.095 18.636 19.000 -0.449 0.000 0.823 457 A HN 0.745 nan 8.150 nan 0.000 0.482 458 D N 0.852 121.278 120.400 0.044 0.000 2.518 458 D HA 0.300 4.940 4.640 -0.000 0.000 0.230 458 D C 1.182 177.634 176.300 0.255 0.000 1.138 458 D CA -0.178 53.902 54.000 0.134 0.000 0.964 458 D CB 0.723 41.618 40.800 0.158 0.000 1.011 458 D HN 0.292 nan 8.370 nan 0.000 0.517 459 L N 0.200 121.519 121.223 0.160 0.000 2.079 459 L HA -0.210 4.129 4.340 -0.000 0.000 0.210 459 L C 2.068 179.099 176.870 0.268 0.000 1.081 459 L CA 1.069 56.039 54.840 0.217 0.000 0.752 459 L CB -0.291 41.869 42.059 0.170 0.000 0.896 459 L HN 0.195 nan 8.230 nan 0.000 0.433 460 D N 0.284 120.769 120.400 0.140 0.000 2.123 460 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 460 D C 2.028 178.309 176.300 -0.032 0.000 0.992 460 D CA 1.149 55.181 54.000 0.054 0.000 0.833 460 D CB -0.015 40.795 40.800 0.017 0.000 0.954 460 D HN 0.239 nan 8.370 nan 0.000 0.455 461 Q N -0.748 118.962 119.800 -0.148 0.000 2.615 461 Q HA -0.036 4.304 4.340 -0.000 0.000 0.220 461 Q C -0.407 174.957 176.000 -1.061 0.000 0.981 461 Q CA 0.575 56.021 55.803 -0.596 0.000 0.939 461 Q CB -0.357 27.918 28.738 -0.772 0.000 0.982 461 Q HN 0.366 nan 8.270 nan 0.000 0.550 462 F N -0.925 118.919 119.950 -0.178 0.000 2.601 462 F HA 0.273 4.800 4.527 -0.000 0.000 0.309 462 F C -1.674 174.063 175.800 -0.105 0.000 1.089 462 F CA -2.630 55.234 58.000 -0.226 0.000 0.940 462 F CB 1.234 39.890 39.000 -0.573 0.000 1.273 462 F HN -0.295 nan 8.300 nan 0.000 0.450 463 P HA -0.232 nan 4.420 nan 0.000 0.214 463 P C 1.999 179.368 177.300 0.115 0.000 1.172 463 P CA 1.628 64.765 63.100 0.062 0.000 0.925 463 P CB 0.594 32.310 31.700 0.027 0.000 0.793 464 L N -0.647 120.660 121.223 0.140 0.000 1.990 464 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 464 L C 2.695 179.733 176.870 0.280 0.000 1.072 464 L CA 2.442 57.377 54.840 0.158 0.000 0.755 464 L CB -1.447 40.648 42.059 0.059 0.000 0.889 464 L HN 0.076 nan 8.230 nan 0.000 0.432 465 G N -0.911 108.071 108.800 0.304 0.000 2.440 465 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 465 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 465 G C 1.648 176.692 174.900 0.240 0.000 1.154 465 G CA 0.778 46.056 45.100 0.296 0.000 0.767 465 G HN 0.313 nan 8.290 nan 0.000 0.552 466 R N 0.347 120.947 120.500 0.167 0.000 2.096 466 R HA -0.099 4.241 4.340 -0.000 0.000 0.240 466 R C 2.680 179.025 176.300 0.075 0.000 1.139 466 R CA 1.846 57.999 56.100 0.089 0.000 0.952 466 R CB -0.173 30.153 30.300 0.044 0.000 0.854 466 R HN 0.335 nan 8.270 nan 0.000 0.436 467 K N -0.775 119.708 120.400 0.139 0.000 2.148 467 K HA -0.150 4.169 4.320 -0.000 0.000 0.204 467 K C 1.881 178.490 176.600 0.015 0.000 1.050 467 K CA 1.284 57.651 56.287 0.132 0.000 0.942 467 K CB -0.188 32.475 32.500 0.271 0.000 0.724 467 K HN 0.173 nan 8.250 nan 0.000 0.446 468 F N 1.912 121.867 119.950 0.009 0.000 2.128 468 F HA -0.066 4.461 4.527 -0.000 0.000 0.295 468 F C 1.732 177.335 175.800 -0.327 0.000 1.100 468 F CA 0.957 58.816 58.000 -0.236 0.000 1.260 468 F CB -0.304 38.689 39.000 -0.010 0.000 1.009 468 F HN -0.179 nan 8.300 nan 0.000 0.476 469 L N 0.000 121.001 121.223 -0.369 0.000 2.021 469 L HA -0.253 4.087 4.340 -0.000 0.000 0.215 469 L C 2.449 179.083 176.870 -0.394 0.000 1.074 469 L CA 1.415 56.039 54.840 -0.361 0.000 0.760 469 L CB -1.039 40.972 42.059 -0.081 0.000 0.889 469 L HN 0.354 nan 8.230 nan 0.000 0.433 470 L N -0.526 120.525 121.223 -0.287 0.000 1.961 470 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 470 L C 2.655 179.324 176.870 -0.335 0.000 1.075 470 L CA 1.792 56.489 54.840 -0.239 0.000 0.749 470 L CB -0.957 41.020 42.059 -0.137 0.000 0.890 470 L HN 0.278 nan 8.230 nan 0.000 0.433 471 Q N 0.172 119.729 119.800 -0.404 0.000 2.112 471 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 471 Q C 2.012 177.659 176.000 -0.588 0.000 0.987 471 Q CA 2.275 57.792 55.803 -0.475 0.000 0.858 471 Q CB -0.516 27.867 28.738 -0.592 0.000 0.905 471 Q HN 0.634 nan 8.270 nan 0.000 0.420 472 A N -0.282 122.038 122.820 -0.834 0.000 1.986 472 A HA 0.037 4.357 4.320 -0.000 0.000 0.220 472 A C 1.613 178.922 177.584 -0.459 0.000 1.171 472 A CA 2.495 54.079 52.037 -0.755 0.000 0.640 472 A CB -0.736 17.546 19.000 -1.198 0.000 0.811 472 A HN 0.779 nan 8.150 nan 0.000 0.451 473 G N -1.261 107.300 108.800 -0.399 0.000 2.938 473 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.234 473 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.234 473 G C 0.241 175.010 174.900 -0.218 0.000 1.707 473 G CA 0.063 45.012 45.100 -0.252 0.000 1.299 473 G HN 1.392 nan 8.290 nan 0.000 0.515 474 L N 0.000 121.118 121.223 -0.175 0.000 2.949 474 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 474 L CA 0.000 54.764 54.840 -0.126 0.000 0.813 474 L CB 0.000 42.011 42.059 -0.079 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502