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_D 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 0.000 177.597 177.584 0.022 0.000 1.274 20 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 20 A CB 0.000 19.010 19.000 0.017 0.000 0.831 21 V N 2.132 121.973 119.914 -0.121 0.000 2.740 21 V HA 0.413 4.533 4.120 -0.001 0.000 0.303 21 V C 0.336 176.335 176.094 -0.159 0.000 1.054 21 V CA 0.170 62.332 62.300 -0.230 0.000 1.106 21 V CB 1.301 32.699 31.823 -0.708 0.000 0.957 21 V HN 0.778 nan 8.190 nan 0.000 0.486 22 V N 3.229 123.177 119.914 0.058 0.000 2.876 22 V HA 0.403 4.523 4.120 -0.001 0.000 0.312 22 V C 0.108 176.414 176.094 0.353 0.000 1.085 22 V CA -0.664 61.712 62.300 0.128 0.000 0.945 22 V CB 2.236 34.042 31.823 -0.029 0.000 1.017 22 V HN 0.893 nan 8.190 nan 0.000 0.428 23 S N 1.456 117.398 115.700 0.402 0.000 2.560 23 S HA 0.029 4.499 4.470 -0.001 0.000 0.284 23 S C 1.556 176.266 174.600 0.184 0.000 1.327 23 S CA 0.423 58.830 58.200 0.345 0.000 1.055 23 S CB 0.966 64.294 63.200 0.213 0.000 0.868 23 S HN 1.196 nan 8.310 nan 0.000 0.506 24 T N 1.178 115.780 114.554 0.080 0.000 3.051 24 T HA -0.059 4.291 4.350 -0.001 0.000 0.269 24 T C 0.795 175.327 174.700 -0.279 0.000 1.127 24 T CA 1.110 63.028 62.100 -0.304 0.000 1.107 24 T CB -0.426 68.356 68.868 -0.143 0.000 0.898 24 T HN 0.669 nan 8.240 nan 0.000 0.517 25 D N 1.611 121.970 120.400 -0.068 0.000 2.309 25 D HA -0.060 4.579 4.640 -0.001 0.000 0.212 25 D C 1.998 178.286 176.300 -0.021 0.000 0.968 25 D CA 0.634 54.610 54.000 -0.040 0.000 0.882 25 D CB -0.151 40.654 40.800 0.007 0.000 0.918 25 D HN 0.523 nan 8.370 nan 0.000 0.503 26 E N -0.251 119.956 120.200 0.010 0.000 2.299 26 E HA -0.064 4.285 4.350 -0.001 0.000 0.193 26 E C 0.968 177.674 176.600 0.176 0.000 0.998 26 E CA 0.435 56.896 56.400 0.102 0.000 0.851 26 E CB 0.145 29.934 29.700 0.148 0.000 0.795 26 E HN 0.629 nan 8.360 nan 0.000 0.492 27 Y N -2.745 117.595 120.300 0.067 0.000 2.728 27 Y HA 0.442 4.991 4.550 -0.001 0.000 0.256 27 Y C -0.078 175.909 175.900 0.144 0.000 1.112 27 Y CA -0.532 57.626 58.100 0.097 0.000 1.240 27 Y CB 0.313 38.834 38.460 0.102 0.000 1.337 27 Y HN -0.333 nan 8.280 nan 0.000 0.559 28 V N 1.623 121.482 119.914 -0.092 0.000 2.483 28 V HA 0.375 4.495 4.120 -0.001 0.000 0.297 28 V C -0.116 175.954 176.094 -0.039 0.000 1.027 28 V CA -0.594 61.676 62.300 -0.049 0.000 0.855 28 V CB 1.637 33.361 31.823 -0.165 0.000 0.995 28 V HN 0.317 nan 8.190 nan 0.000 0.424 29 T N 5.962 120.508 114.554 -0.013 0.000 2.856 29 T HA 0.451 4.800 4.350 -0.001 0.000 0.292 29 T C 0.137 174.802 174.700 -0.059 0.000 0.980 29 T CA -0.451 61.634 62.100 -0.024 0.000 1.091 29 T CB 0.558 69.424 68.868 -0.002 0.000 0.936 29 T HN 0.451 nan 8.240 nan 0.000 0.503 30 R N 1.730 122.196 120.500 -0.056 0.000 2.643 30 R HA 0.702 5.042 4.340 -0.001 0.000 0.272 30 R C 0.291 176.551 176.300 -0.066 0.000 0.995 30 R CA -0.632 55.421 56.100 -0.078 0.000 1.032 30 R CB 1.625 31.895 30.300 -0.049 0.000 1.126 30 R HN 0.825 nan 8.270 nan 0.000 0.505 31 T N -2.934 111.565 114.554 -0.092 0.000 2.883 31 T HA 0.265 4.615 4.350 -0.001 0.000 0.296 31 T C 0.226 174.909 174.700 -0.027 0.000 1.117 31 T CA -0.880 61.194 62.100 -0.043 0.000 1.006 31 T CB 1.315 70.145 68.868 -0.063 0.000 1.191 31 T HN 0.535 nan 8.240 nan 0.000 0.508 32 N N 0.584 119.334 118.700 0.083 0.000 2.482 32 N HA 0.134 4.874 4.740 -0.001 0.000 0.220 32 N C -0.489 175.181 175.510 0.267 0.000 1.255 32 N CA -0.146 53.045 53.050 0.234 0.000 0.850 32 N CB -0.182 38.434 38.487 0.214 0.000 1.127 32 N HN 0.415 nan 8.380 nan 0.000 0.475 33 I N 1.502 122.115 120.570 0.072 0.000 2.355 33 I HA 0.248 4.417 4.170 -0.001 0.000 0.288 33 I C -0.699 175.505 176.117 0.145 0.000 0.999 33 I CA -0.841 60.566 61.300 0.178 0.000 1.163 33 I CB -0.116 37.974 38.000 0.150 0.000 1.316 33 I HN -0.035 nan 8.210 nan 0.000 0.454 34 Y N 5.909 126.340 120.300 0.217 0.000 2.391 34 Y HA 0.583 5.132 4.550 -0.001 0.000 0.341 34 Y C -0.574 175.385 175.900 0.098 0.000 0.965 34 Y CA -0.794 57.386 58.100 0.134 0.000 1.067 34 Y CB 1.850 40.224 38.460 -0.143 0.000 1.199 34 Y HN 0.340 nan 8.280 nan 0.000 0.450 35 Y N 1.267 121.604 120.300 0.061 0.000 2.562 35 Y HA 0.367 4.917 4.550 -0.001 0.000 0.343 35 Y C -0.058 175.610 175.900 -0.387 0.000 1.025 35 Y CA -1.200 56.837 58.100 -0.106 0.000 1.082 35 Y CB 1.468 39.835 38.460 -0.156 0.000 1.264 35 Y HN 0.581 nan 8.280 nan 0.000 0.478 36 H N 1.465 120.319 119.070 -0.360 0.000 2.463 36 H HA 0.824 5.380 4.556 -0.001 0.000 0.332 36 H C -1.589 173.319 175.328 -0.700 0.000 1.127 36 H CA -0.556 55.165 56.048 -0.545 0.000 1.238 36 H CB 1.502 30.832 29.762 -0.719 0.000 1.478 36 H HN 0.797 nan 8.280 nan 0.000 0.499 37 A N 3.158 125.184 122.820 -1.322 0.000 2.422 37 A HA 0.644 4.964 4.320 -0.001 0.000 0.302 37 A C -0.596 176.675 177.584 -0.523 0.000 1.041 37 A CA -0.089 51.501 52.037 -0.746 0.000 0.708 37 A CB 1.618 20.390 19.000 -0.380 0.000 1.257 37 A HN 0.834 nan 8.150 nan 0.000 0.414 38 G N 0.523 109.247 108.800 -0.126 0.000 2.620 38 G HA2 0.613 4.572 3.960 -0.001 0.000 0.301 38 G HA3 0.613 4.572 3.960 -0.001 0.000 0.301 38 G C -0.355 174.593 174.900 0.080 0.000 1.347 38 G CA 0.032 45.135 45.100 0.005 0.000 0.971 38 G HN 1.383 nan 8.290 nan 0.000 0.488 39 S N 0.090 115.830 115.700 0.067 0.000 2.585 39 S HA 0.674 5.143 4.470 -0.001 0.000 0.277 39 S C 0.945 175.576 174.600 0.051 0.000 1.241 39 S CA 0.058 58.296 58.200 0.063 0.000 1.041 39 S CB 1.463 64.677 63.200 0.024 0.000 0.987 39 S HN 1.560 nan 8.310 nan 0.000 0.512 40 S N 1.631 117.377 115.700 0.076 0.000 2.641 40 S HA 0.137 4.607 4.470 -0.001 0.000 0.251 40 S C 0.358 174.996 174.600 0.063 0.000 1.332 40 S CA -0.735 57.511 58.200 0.076 0.000 0.968 40 S CB -0.024 63.233 63.200 0.094 0.000 0.987 40 S HN 0.954 nan 8.310 nan 0.000 0.587 41 R N 0.189 120.731 120.500 0.071 0.000 2.449 41 R HA 0.283 4.623 4.340 -0.001 0.000 0.296 41 R C -0.919 175.459 176.300 0.129 0.000 1.047 41 R CA -0.136 56.005 56.100 0.069 0.000 1.018 41 R CB -0.428 29.911 30.300 0.065 0.000 0.962 41 R HN 0.625 nan 8.270 nan 0.000 0.428 42 L N 5.607 126.911 121.223 0.135 0.000 2.322 42 L HA 0.505 4.844 4.340 -0.001 0.000 0.279 42 L C -0.246 176.837 176.870 0.355 0.000 1.036 42 L CA -0.754 54.271 54.840 0.308 0.000 0.807 42 L CB 1.345 43.555 42.059 0.251 0.000 1.226 42 L HN 0.509 nan 8.230 nan 0.000 0.433 43 L N 2.118 123.611 121.223 0.450 0.000 2.354 43 L HA 0.950 5.289 4.340 -0.001 0.000 0.264 43 L C -0.584 176.553 176.870 0.445 0.000 1.008 43 L CA -0.739 54.319 54.840 0.363 0.000 0.819 43 L CB 2.263 44.448 42.059 0.209 0.000 1.339 43 L HN 0.770 nan 8.230 nan 0.000 0.420 44 A N 1.934 124.969 122.820 0.357 0.000 2.488 44 A HA 0.769 5.089 4.320 -0.001 0.000 0.295 44 A C -1.618 176.060 177.584 0.156 0.000 1.045 44 A CA -0.411 51.771 52.037 0.242 0.000 0.703 44 A CB 1.871 21.081 19.000 0.349 0.000 1.271 44 A HN 0.314 nan 8.150 nan 0.000 0.400 45 V N 1.762 121.731 119.914 0.092 0.000 2.569 45 V HA 0.867 4.986 4.120 -0.001 0.000 0.301 45 V C 0.489 176.620 176.094 0.062 0.000 1.044 45 V CA 0.386 62.736 62.300 0.083 0.000 0.874 45 V CB 1.516 33.382 31.823 0.072 0.000 1.002 45 V HN 1.635 nan 8.190 nan 0.000 0.424 46 G N 1.915 110.755 108.800 0.068 0.000 2.663 46 G HA2 0.440 4.399 3.960 -0.001 0.000 0.299 46 G HA3 0.440 4.399 3.960 -0.001 0.000 0.299 46 G C -1.655 173.294 174.900 0.082 0.000 1.372 46 G CA -0.629 44.515 45.100 0.074 0.000 0.781 46 G HN 0.647 nan 8.290 nan 0.000 0.491 47 H N 0.833 119.888 119.070 -0.025 0.000 2.562 47 H HA 0.318 4.874 4.556 -0.001 0.000 0.352 47 H C -1.469 173.769 175.328 -0.149 0.000 1.125 47 H CA -1.490 54.485 56.048 -0.122 0.000 1.379 47 H CB 2.431 32.100 29.762 -0.154 0.000 1.464 47 H HN 0.129 nan 8.280 nan 0.000 0.563 48 P HA -0.061 nan 4.420 nan 0.000 0.227 48 P C 0.587 177.927 177.300 0.067 0.000 1.161 48 P CA 1.253 64.277 63.100 -0.126 0.000 0.788 48 P CB 0.210 31.684 31.700 -0.376 0.000 0.822 49 Y N -0.928 119.482 120.300 0.182 0.000 2.382 49 Y HA 0.124 4.673 4.550 -0.001 0.000 0.292 49 Y C 1.099 177.000 175.900 0.002 0.000 1.151 49 Y CA -0.514 57.596 58.100 0.016 0.000 1.198 49 Y CB 0.047 38.449 38.460 -0.096 0.000 1.195 49 Y HN -0.110 nan 8.280 nan 0.000 0.530 50 Y N -1.404 118.979 120.300 0.139 0.000 2.615 50 Y HA 0.836 5.386 4.550 -0.001 0.000 0.341 50 Y C -0.712 175.150 175.900 -0.063 0.000 1.089 50 Y CA -2.965 55.139 58.100 0.006 0.000 1.049 50 Y CB 0.422 38.852 38.460 -0.050 0.000 1.296 50 Y HN -0.097 nan 8.280 nan 0.000 0.470 51 A N 1.477 124.445 122.820 0.247 0.000 2.322 51 A HA 0.679 4.999 4.320 -0.001 0.000 0.269 51 A C -0.769 176.918 177.584 0.172 0.000 1.094 51 A CA -0.583 51.549 52.037 0.159 0.000 0.807 51 A CB -0.125 18.933 19.000 0.097 0.000 1.047 51 A HN 0.675 nan 8.150 nan 0.000 0.487 52 I N 2.325 122.975 120.570 0.134 0.000 2.412 52 I HA 0.191 4.361 4.170 -0.001 0.000 0.279 52 I C 0.527 176.685 176.117 0.069 0.000 1.063 52 I CA -0.263 61.108 61.300 0.120 0.000 1.193 52 I CB 0.698 38.793 38.000 0.157 0.000 1.370 52 I HN 0.738 nan 8.210 nan 0.000 0.479 53 K N 4.250 124.673 120.400 0.039 0.000 2.102 53 K HA 0.435 4.754 4.320 -0.001 0.000 0.244 53 K C 0.064 176.675 176.600 0.020 0.000 1.021 53 K CA -1.014 55.286 56.287 0.022 0.000 0.913 53 K CB 0.935 33.439 32.500 0.006 0.000 1.062 53 K HN 0.137 nan 8.250 nan 0.000 0.485 54 K N 0.816 121.224 120.400 0.014 0.000 2.494 54 K HA -0.138 4.182 4.320 -0.001 0.000 0.273 54 K C 0.959 177.564 176.600 0.008 0.000 0.970 54 K CA 0.557 56.852 56.287 0.013 0.000 0.963 54 K CB 0.687 33.191 32.500 0.007 0.000 0.913 54 K HN 0.703 nan 8.250 nan 0.000 0.502 55 Q N 1.151 120.957 119.800 0.011 0.000 2.197 55 Q HA -0.181 4.159 4.340 -0.001 0.000 0.207 55 Q C 0.302 176.300 176.000 -0.003 0.000 0.984 55 Q CA 2.276 58.082 55.803 0.005 0.000 0.869 55 Q CB 0.145 28.889 28.738 0.010 0.000 0.906 55 Q HN 0.783 nan 8.270 nan 0.000 0.426 56 D N -1.823 118.576 120.400 -0.002 0.000 3.161 56 D HA 0.064 4.703 4.640 -0.001 0.000 0.287 56 D C 0.390 176.686 176.300 -0.006 0.000 1.343 56 D CA 0.264 54.260 54.000 -0.005 0.000 1.070 56 D CB -0.688 40.109 40.800 -0.004 0.000 1.188 56 D HN 0.067 nan 8.370 nan 0.000 0.409 57 S N 1.131 116.828 115.700 -0.004 0.000 2.548 57 S HA -0.106 4.363 4.470 -0.001 0.000 0.266 57 S C 0.905 175.501 174.600 -0.007 0.000 1.374 57 S CA 0.396 58.593 58.200 -0.005 0.000 0.997 57 S CB 0.153 63.351 63.200 -0.003 0.000 0.855 57 S HN 0.395 nan 8.310 nan 0.000 0.534 58 N N 0.870 119.565 118.700 -0.007 0.000 2.197 58 N HA 0.082 4.822 4.740 -0.001 0.000 0.228 58 N C -0.449 175.057 175.510 -0.007 0.000 1.212 58 N CA -0.394 52.651 53.050 -0.009 0.000 0.883 58 N CB 0.135 38.615 38.487 -0.011 0.000 1.107 58 N HN 0.475 nan 8.380 nan 0.000 0.519 59 K N 1.832 122.229 120.400 -0.005 0.000 2.276 59 K HA 0.182 4.502 4.320 -0.001 0.000 0.283 59 K C 0.258 176.858 176.600 0.000 0.000 1.044 59 K CA -0.546 55.738 56.287 -0.005 0.000 0.944 59 K CB 0.812 33.309 32.500 -0.005 0.000 1.012 59 K HN -0.035 nan 8.250 nan 0.000 0.472 60 I N 4.064 124.634 120.570 0.000 0.000 2.683 60 I HA -0.089 4.081 4.170 -0.001 0.000 0.286 60 I C 1.038 177.161 176.117 0.010 0.000 1.175 60 I CA 0.462 61.767 61.300 0.009 0.000 1.429 60 I CB 0.282 38.286 38.000 0.007 0.000 1.371 60 I HN 0.836 nan 8.210 nan 0.000 0.569 61 A N 6.999 129.832 122.820 0.022 0.000 1.969 61 A HA 0.301 4.620 4.320 -0.001 0.000 0.205 61 A C 0.620 178.221 177.584 0.027 0.000 1.364 61 A CA 0.328 52.378 52.037 0.021 0.000 0.756 61 A CB 0.228 19.245 19.000 0.028 0.000 0.988 61 A HN 0.482 nan 8.150 nan 0.000 0.490 62 V N 1.761 121.703 119.914 0.047 0.000 2.409 62 V HA 0.392 4.512 4.120 -0.001 0.000 0.291 62 V C -2.622 173.511 176.094 0.064 0.000 1.020 62 V CA -2.196 60.138 62.300 0.057 0.000 0.848 62 V CB 1.326 33.203 31.823 0.090 0.000 0.990 62 V HN 0.279 nan 8.190 nan 0.000 0.430 63 P HA 0.103 nan 4.420 nan 0.000 0.272 63 P C -0.700 176.643 177.300 0.072 0.000 1.254 63 P CA -0.411 62.715 63.100 0.043 0.000 0.795 63 P CB 0.973 32.677 31.700 0.007 0.000 1.022 64 K N 0.961 121.403 120.400 0.069 0.000 2.360 64 K HA 0.292 4.611 4.320 -0.001 0.000 0.235 64 K C -1.192 175.451 176.600 0.071 0.000 1.077 64 K CA -0.501 55.840 56.287 0.091 0.000 1.035 64 K CB -0.135 32.428 32.500 0.106 0.000 1.623 64 K HN 0.128 nan 8.250 nan 0.000 0.462 65 V N 2.695 122.642 119.914 0.055 0.000 2.406 65 V HA 0.221 4.340 4.120 -0.001 0.000 0.272 65 V C 0.202 176.274 176.094 -0.037 0.000 1.043 65 V CA -0.377 61.931 62.300 0.014 0.000 0.915 65 V CB 0.934 32.761 31.823 0.007 0.000 0.988 65 V HN 0.726 nan 8.190 nan 0.000 0.466 66 S N 3.408 119.079 115.700 -0.049 0.000 2.627 66 S HA 0.678 5.148 4.470 -0.001 0.000 0.283 66 S C 1.033 175.602 174.600 -0.052 0.000 1.127 66 S CA 0.091 58.301 58.200 0.017 0.000 0.863 66 S CB 1.971 65.271 63.200 0.166 0.000 1.121 66 S HN 0.818 nan 8.310 nan 0.000 0.479 67 G N 0.744 109.638 108.800 0.156 0.000 2.464 67 G HA2 0.090 4.050 3.960 -0.001 0.000 0.217 67 G HA3 0.090 4.050 3.960 -0.001 0.000 0.217 67 G C 0.741 175.751 174.900 0.184 0.000 1.138 67 G CA 0.221 45.455 45.100 0.224 0.000 0.793 67 G HN 0.614 nan 8.290 nan 0.000 0.539 68 L N 0.917 122.264 121.223 0.207 0.000 2.718 68 L HA 0.244 4.583 4.340 -0.001 0.000 0.242 68 L C 0.839 177.790 176.870 0.134 0.000 1.203 68 L CA 0.231 55.184 54.840 0.188 0.000 1.011 68 L CB -0.266 41.966 42.059 0.289 0.000 1.250 68 L HN 0.237 nan 8.230 nan 0.000 0.437 69 Q N -1.809 118.057 119.800 0.109 0.000 2.297 69 Q HA 0.451 4.791 4.340 -0.001 0.000 0.269 69 Q C -1.199 174.860 176.000 0.098 0.000 1.051 69 Q CA -0.892 54.990 55.803 0.133 0.000 0.869 69 Q CB 1.774 30.591 28.738 0.132 0.000 1.346 69 Q HN -0.006 nan 8.270 nan 0.000 0.457 70 Y N 0.056 120.377 120.300 0.035 0.000 2.458 70 Y HA 0.397 4.946 4.550 -0.001 0.000 0.322 70 Y C 0.108 175.957 175.900 -0.084 0.000 1.259 70 Y CA -0.483 57.618 58.100 0.002 0.000 1.302 70 Y CB 1.171 39.629 38.460 -0.004 0.000 1.314 70 Y HN 0.221 nan 8.280 nan 0.000 0.509 71 R N 1.525 122.012 120.500 -0.023 0.000 2.467 71 R HA 0.386 4.725 4.340 -0.001 0.000 0.299 71 R C -1.957 174.024 176.300 -0.533 0.000 1.120 71 R CA -0.596 55.249 56.100 -0.425 0.000 0.940 71 R CB 1.115 31.029 30.300 -0.643 0.000 1.161 71 R HN 0.400 nan 8.270 nan 0.000 0.506 72 V N 5.142 124.808 119.914 -0.413 0.000 2.294 72 V HA 0.399 4.518 4.120 -0.001 0.000 0.272 72 V C -0.023 175.861 176.094 -0.350 0.000 1.027 72 V CA -0.633 61.542 62.300 -0.209 0.000 0.823 72 V CB 0.319 32.167 31.823 0.042 0.000 1.030 72 V HN 0.416 nan 8.190 nan 0.000 0.457 73 F N 3.529 123.428 119.950 -0.085 0.000 2.410 73 F HA 0.524 5.051 4.527 -0.001 0.000 0.348 73 F C 0.814 176.401 175.800 -0.356 0.000 1.106 73 F CA -0.318 57.593 58.000 -0.149 0.000 1.163 73 F CB 0.952 39.823 39.000 -0.214 0.000 1.129 73 F HN 0.314 nan 8.300 nan 0.000 0.516 74 R N 3.108 123.519 120.500 -0.149 0.000 2.265 74 R HA 0.553 4.893 4.340 -0.001 0.000 0.328 74 R C -1.742 174.398 176.300 -0.266 0.000 0.969 74 R CA -0.494 55.268 56.100 -0.562 0.000 0.832 74 R CB 1.113 31.204 30.300 -0.348 0.000 1.139 74 R HN 0.547 nan 8.270 nan 0.000 0.457 75 V N 5.878 125.556 119.914 -0.392 0.000 2.333 75 V HA 0.242 4.362 4.120 -0.001 0.000 0.274 75 V C 0.085 176.033 176.094 -0.243 0.000 1.028 75 V CA -0.710 61.424 62.300 -0.277 0.000 0.851 75 V CB 1.149 32.728 31.823 -0.406 0.000 1.000 75 V HN 0.564 nan 8.190 nan 0.000 0.456 76 K N 5.306 125.614 120.400 -0.155 0.000 2.234 76 K HA 0.576 4.895 4.320 -0.001 0.000 0.282 76 K C -0.655 175.826 176.600 -0.199 0.000 1.039 76 K CA -0.145 56.060 56.287 -0.137 0.000 0.928 76 K CB 1.484 33.943 32.500 -0.068 0.000 1.039 76 K HN 0.536 nan 8.250 nan 0.000 0.470 77 L N 5.010 126.078 121.223 -0.257 0.000 2.342 77 L HA 0.463 4.802 4.340 -0.001 0.000 0.271 77 L C -2.015 174.622 176.870 -0.388 0.000 1.008 77 L CA -2.278 52.296 54.840 -0.444 0.000 0.818 77 L CB 1.966 43.685 42.059 -0.567 0.000 1.296 77 L HN 0.375 nan 8.230 nan 0.000 0.427 78 P HA -0.027 nan 4.420 nan 0.000 0.272 78 P C -1.119 176.033 177.300 -0.247 0.000 1.223 78 P CA -0.186 62.652 63.100 -0.437 0.000 0.784 78 P CB 0.955 32.177 31.700 -0.797 0.000 0.923 79 D N 3.256 123.582 120.400 -0.124 0.000 2.411 79 D HA 0.090 4.730 4.640 -0.001 0.000 0.225 79 D C -1.204 175.059 176.300 -0.063 0.000 1.156 79 D CA -2.154 51.815 54.000 -0.051 0.000 0.874 79 D CB 0.670 41.490 40.800 0.033 0.000 1.034 79 D HN 0.147 nan 8.370 nan 0.000 0.502 80 P HA -0.182 nan 4.420 nan 0.000 0.224 80 P C 0.680 178.047 177.300 0.111 0.000 1.138 80 P CA 0.892 63.922 63.100 -0.116 0.000 0.780 80 P CB 0.471 31.738 31.700 -0.721 0.000 0.755 81 N N -0.160 118.561 118.700 0.035 0.000 2.402 81 N HA 0.001 4.741 4.740 -0.001 0.000 0.174 81 N C 1.600 177.169 175.510 0.099 0.000 1.027 81 N CA 0.688 53.774 53.050 0.059 0.000 0.891 81 N CB -0.008 38.486 38.487 0.012 0.000 1.016 81 N HN 0.322 nan 8.380 nan 0.000 0.439 82 K N 0.281 120.742 120.400 0.103 0.000 2.025 82 K HA -0.029 4.290 4.320 -0.001 0.000 0.207 82 K C 0.660 177.317 176.600 0.094 0.000 1.049 82 K CA 0.478 56.822 56.287 0.096 0.000 0.933 82 K CB -0.232 32.328 32.500 0.101 0.000 0.714 82 K HN -0.046 nan 8.250 nan 0.000 0.438 83 F N 1.424 121.282 119.950 -0.154 0.000 2.589 83 F HA 0.115 4.641 4.527 -0.001 0.000 0.352 83 F C 1.085 176.571 175.800 -0.524 0.000 1.168 83 F CA 0.129 57.900 58.000 -0.381 0.000 1.353 83 F CB 0.520 39.238 39.000 -0.470 0.000 1.116 83 F HN -0.005 nan 8.300 nan 0.000 0.608 84 G N 3.439 111.820 108.800 -0.699 0.000 2.470 84 G HA2 0.594 4.553 3.960 -0.001 0.000 0.320 84 G HA3 0.594 4.553 3.960 -0.001 0.000 0.320 84 G C -1.908 172.657 174.900 -0.558 0.000 1.245 84 G CA -0.412 44.427 45.100 -0.436 0.000 0.935 84 G HN 0.387 nan 8.290 nan 0.000 0.476 85 F N 1.946 121.898 119.950 0.003 0.000 2.576 85 F HA 0.472 4.999 4.527 -0.001 0.000 0.313 85 F C -1.365 174.428 175.800 -0.013 0.000 1.078 85 F CA -1.988 56.026 58.000 0.024 0.000 0.921 85 F CB 3.034 42.036 39.000 0.004 0.000 1.232 85 F HN 0.322 nan 8.300 nan 0.000 0.459 86 P HA -0.044 nan 4.420 nan 0.000 0.226 86 P C 0.533 177.836 177.300 0.005 0.000 1.161 86 P CA 1.172 64.323 63.100 0.086 0.000 0.804 86 P CB 0.432 32.189 31.700 0.096 0.000 0.829 87 D N -0.164 120.247 120.400 0.019 0.000 2.360 87 D HA -0.038 4.601 4.640 -0.001 0.000 0.210 87 D C 0.560 176.625 176.300 -0.391 0.000 1.047 87 D CA 0.427 54.372 54.000 -0.093 0.000 0.854 87 D CB -0.393 40.465 40.800 0.097 0.000 0.936 87 D HN 0.010 nan 8.370 nan 0.000 0.514 88 T N -1.342 113.087 114.554 -0.208 0.000 3.624 88 T HA 0.102 4.452 4.350 -0.001 0.000 0.231 88 T C 1.352 175.940 174.700 -0.187 0.000 0.865 88 T CA 0.211 62.166 62.100 -0.242 0.000 0.926 88 T CB -0.164 68.592 68.868 -0.186 0.000 1.189 88 T HN 0.016 nan 8.240 nan 0.000 0.640 89 S N 1.222 116.609 115.700 -0.522 0.000 2.412 89 S HA 0.083 4.552 4.470 -0.001 0.000 0.223 89 S C 0.998 175.468 174.600 -0.216 0.000 1.048 89 S CA -0.454 57.552 58.200 -0.324 0.000 0.954 89 S CB -0.789 62.252 63.200 -0.265 0.000 0.840 89 S HN 0.653 nan 8.310 nan 0.000 0.503 90 F N 1.764 121.774 119.950 0.099 0.000 2.783 90 F HA 0.640 5.166 4.527 -0.001 0.000 0.338 90 F C -0.267 175.621 175.800 0.147 0.000 1.178 90 F CA -2.123 55.930 58.000 0.087 0.000 1.343 90 F CB -1.415 37.622 39.000 0.061 0.000 1.496 90 F HN 0.261 nan 8.300 nan 0.000 0.583 91 Y N 0.881 121.200 120.300 0.032 0.000 2.401 91 Y HA 0.476 5.026 4.550 -0.001 0.000 0.330 91 Y C -1.893 174.000 175.900 -0.011 0.000 1.071 91 Y CA -2.121 55.990 58.100 0.019 0.000 1.049 91 Y CB 1.292 39.728 38.460 -0.040 0.000 1.239 91 Y HN 0.195 nan 8.280 nan 0.000 0.437 92 D N 8.277 128.368 120.400 -0.516 0.000 2.303 92 D HA 0.437 5.076 4.640 -0.001 0.000 0.236 92 D C -2.291 173.481 176.300 -0.881 0.000 1.068 92 D CA -2.684 51.008 54.000 -0.512 0.000 0.830 92 D CB 2.365 43.026 40.800 -0.232 0.000 1.109 92 D HN 0.349 nan 8.370 nan 0.000 0.496 93 P HA 0.102 nan 4.420 nan 0.000 0.240 93 P C 0.875 178.008 177.300 -0.279 0.000 1.190 93 P CA 0.212 62.959 63.100 -0.589 0.000 0.781 93 P CB 0.391 31.911 31.700 -0.300 0.000 0.931 94 A N 1.386 124.068 122.820 -0.231 0.000 1.855 94 A HA -0.130 4.190 4.320 -0.001 0.000 0.215 94 A C 2.340 179.853 177.584 -0.119 0.000 1.191 94 A CA 2.468 54.424 52.037 -0.135 0.000 0.613 94 A CB -1.323 17.612 19.000 -0.108 0.000 0.829 94 A HN 0.360 nan 8.150 nan 0.000 0.442 95 S N -1.611 114.003 115.700 -0.143 0.000 2.535 95 S HA 0.229 4.698 4.470 -0.001 0.000 0.214 95 S C 0.622 175.169 174.600 -0.089 0.000 0.980 95 S CA -0.305 57.841 58.200 -0.090 0.000 0.907 95 S CB -0.011 63.153 63.200 -0.060 0.000 0.790 95 S HN 0.612 nan 8.310 nan 0.000 0.510 96 Q N 0.218 119.921 119.800 -0.162 0.000 2.359 96 Q HA 0.642 4.981 4.340 -0.001 0.000 0.275 96 Q C -0.626 175.308 176.000 -0.111 0.000 1.082 96 Q CA -1.136 54.614 55.803 -0.088 0.000 0.849 96 Q CB 1.376 30.109 28.738 -0.008 0.000 1.377 96 Q HN 0.078 nan 8.270 nan 0.000 0.452 97 R N 0.185 120.577 120.500 -0.180 0.000 3.076 97 R HA 0.671 5.011 4.340 -0.001 0.000 0.239 97 R C -1.033 175.054 176.300 -0.355 0.000 1.392 97 R CA -0.828 55.013 56.100 -0.430 0.000 1.044 97 R CB 0.839 30.394 30.300 -1.241 0.000 1.389 97 R HN 0.541 nan 8.270 nan 0.000 0.498 98 L N 0.518 121.460 121.223 -0.469 0.000 2.422 98 L HA 0.643 4.982 4.340 -0.001 0.000 0.264 98 L C -0.861 175.819 176.870 -0.317 0.000 0.984 98 L CA -1.074 53.521 54.840 -0.408 0.000 0.819 98 L CB 2.431 44.184 42.059 -0.510 0.000 1.330 98 L HN 0.137 nan 8.230 nan 0.000 0.410 99 V N -0.254 119.474 119.914 -0.310 0.000 2.789 99 V HA 0.375 4.494 4.120 -0.001 0.000 0.311 99 V C -1.104 174.782 176.094 -0.347 0.000 1.073 99 V CA -0.752 61.424 62.300 -0.207 0.000 0.921 99 V CB 2.153 33.884 31.823 -0.153 0.000 1.009 99 V HN 0.654 nan 8.190 nan 0.000 0.426 100 W N 2.382 123.544 121.300 -0.230 0.000 2.485 100 W HA 0.595 5.254 4.660 -0.001 0.000 0.315 100 W C 0.545 176.968 176.519 -0.160 0.000 1.304 100 W CA -0.253 56.942 57.345 -0.249 0.000 1.345 100 W CB 0.907 30.088 29.460 -0.464 0.000 1.368 100 W HN 0.731 nan 8.180 nan 0.000 0.497 101 A N 4.118 127.051 122.820 0.188 0.000 2.328 101 A HA 0.380 4.700 4.320 -0.001 0.000 0.284 101 A C -0.514 177.251 177.584 0.302 0.000 1.160 101 A CA -0.592 51.506 52.037 0.103 0.000 0.818 101 A CB 0.456 19.435 19.000 -0.036 0.000 1.087 101 A HN 0.763 nan 8.150 nan 0.000 0.504 102 C N 2.739 122.183 119.300 0.239 0.000 2.415 102 C HA 0.605 5.065 4.460 -0.001 0.000 0.369 102 C C 1.306 176.262 174.990 -0.056 0.000 1.279 102 C CA 0.367 59.448 59.018 0.106 0.000 1.886 102 C CB -0.423 27.358 27.740 0.069 0.000 2.468 102 C HN 0.873 nan 8.230 nan 0.000 0.553 103 T N 3.459 117.953 114.554 -0.100 0.000 2.987 103 T HA 0.379 4.728 4.350 -0.001 0.000 0.248 103 T C 0.613 175.378 174.700 0.109 0.000 0.997 103 T CA 0.647 62.781 62.100 0.056 0.000 1.013 103 T CB 0.460 69.423 68.868 0.159 0.000 1.077 103 T HN 0.987 nan 8.240 nan 0.000 0.483 104 G N 0.563 109.287 108.800 -0.127 0.000 2.718 104 G HA2 0.585 4.545 3.960 -0.001 0.000 0.295 104 G HA3 0.585 4.545 3.960 -0.001 0.000 0.295 104 G C -1.810 172.818 174.900 -0.453 0.000 1.421 104 G CA -0.452 44.519 45.100 -0.215 0.000 0.902 104 G HN 0.126 nan 8.290 nan 0.000 0.501 105 V N 0.289 119.893 119.914 -0.517 0.000 3.001 105 V HA 0.813 4.932 4.120 -0.001 0.000 0.314 105 V C -0.704 174.961 176.094 -0.715 0.000 1.099 105 V CA -0.908 61.055 62.300 -0.561 0.000 0.989 105 V CB 2.196 33.903 31.823 -0.194 0.000 1.040 105 V HN 0.738 nan 8.190 nan 0.000 0.434 106 E N 1.377 121.133 120.200 -0.740 0.000 2.313 106 E HA 0.363 4.712 4.350 -0.001 0.000 0.280 106 E C -1.986 174.305 176.600 -0.516 0.000 0.898 106 E CA -0.240 55.749 56.400 -0.684 0.000 0.803 106 E CB 2.369 31.722 29.700 -0.578 0.000 1.286 106 E HN 0.433 nan 8.360 nan 0.000 0.401 107 V N 3.464 123.168 119.914 -0.351 0.000 2.270 107 V HA 0.363 4.482 4.120 -0.001 0.000 0.263 107 V C 0.749 176.723 176.094 -0.201 0.000 1.066 107 V CA -0.442 61.718 62.300 -0.234 0.000 0.857 107 V CB 1.026 32.787 31.823 -0.103 0.000 1.099 107 V HN 0.625 nan 8.190 nan 0.000 0.476 108 G N 4.803 113.471 108.800 -0.221 0.000 2.406 108 G HA2 0.419 4.379 3.960 -0.001 0.000 0.251 108 G HA3 0.419 4.379 3.960 -0.001 0.000 0.251 108 G C -0.096 174.675 174.900 -0.214 0.000 1.271 108 G CA -0.464 44.531 45.100 -0.175 0.000 0.859 108 G HN 0.456 nan 8.290 nan 0.000 0.540 109 R N 1.695 122.088 120.500 -0.177 0.000 2.388 109 R HA 0.354 4.694 4.340 -0.001 0.000 0.314 109 R C 0.642 176.841 176.300 -0.169 0.000 0.959 109 R CA -0.605 55.335 56.100 -0.268 0.000 0.851 109 R CB 1.383 31.591 30.300 -0.154 0.000 1.168 109 R HN 0.636 nan 8.270 nan 0.000 0.472 110 G N 1.723 110.410 108.800 -0.190 0.000 2.634 110 G HA2 0.262 4.222 3.960 -0.001 0.000 0.255 110 G HA3 0.262 4.222 3.960 -0.001 0.000 0.255 110 G C -0.551 174.307 174.900 -0.070 0.000 1.205 110 G CA 0.036 45.074 45.100 -0.104 0.000 0.884 110 G HN 0.476 nan 8.290 nan 0.000 0.549 111 Q N -1.724 118.059 119.800 -0.027 0.000 2.196 111 Q HA -0.137 4.202 4.340 -0.001 0.000 0.040 111 Q C -2.665 173.337 176.000 0.003 0.000 1.413 111 Q CA 0.248 56.049 55.803 -0.002 0.000 0.207 111 Q CB -1.474 27.273 28.738 0.016 0.000 4.217 111 Q HN 0.606 nan 8.270 nan 0.000 0.303 112 P HA 0.296 nan 4.420 nan 0.000 0.278 112 P C -0.236 177.075 177.300 0.018 0.000 1.238 112 P CA -0.566 62.539 63.100 0.009 0.000 0.794 112 P CB 0.453 32.155 31.700 0.003 0.000 0.955 113 L N 2.177 123.413 121.223 0.022 0.000 2.499 113 L HA 0.453 4.793 4.340 -0.001 0.000 0.273 113 L C 1.313 178.196 176.870 0.022 0.000 1.195 113 L CA 1.515 56.375 54.840 0.032 0.000 0.882 113 L CB -0.432 41.645 42.059 0.029 0.000 1.133 113 L HN 0.706 nan 8.230 nan 0.000 0.483 114 G N 1.828 110.643 108.800 0.026 0.000 2.663 114 G HA2 0.682 4.641 3.960 -0.001 0.000 0.299 114 G HA3 0.682 4.641 3.960 -0.001 0.000 0.299 114 G C -1.610 173.301 174.900 0.018 0.000 1.372 114 G CA -0.004 45.101 45.100 0.008 0.000 0.781 114 G HN 0.674 nan 8.290 nan 0.000 0.491 115 V N -2.107 117.809 119.914 0.003 0.000 2.876 115 V HA 0.983 5.103 4.120 -0.001 0.000 0.312 115 V C 0.419 176.506 176.094 -0.011 0.000 1.085 115 V CA -0.013 62.298 62.300 0.017 0.000 0.945 115 V CB 1.494 33.336 31.823 0.032 0.000 1.017 115 V HN 1.573 nan 8.190 nan 0.000 0.428 116 G N 1.896 110.701 108.800 0.009 0.000 2.502 116 G HA2 0.720 4.680 3.960 -0.001 0.000 0.305 116 G HA3 0.720 4.680 3.960 -0.001 0.000 0.305 116 G C -0.906 173.977 174.900 -0.030 0.000 1.190 116 G CA -0.667 44.427 45.100 -0.010 0.000 0.933 116 G HN 1.389 nan 8.290 nan 0.000 0.503 117 I N -0.043 120.512 120.570 -0.025 0.000 2.586 117 I HA 0.454 4.623 4.170 -0.001 0.000 0.288 117 I C -0.757 175.335 176.117 -0.043 0.000 1.147 117 I CA -0.516 60.747 61.300 -0.062 0.000 1.047 117 I CB 1.758 39.747 38.000 -0.019 0.000 1.244 117 I HN 0.492 nan 8.210 nan 0.000 0.429 118 S N 4.704 120.241 115.700 -0.272 0.000 2.621 118 S HA 1.013 5.482 4.470 -0.001 0.000 0.302 118 S C -0.126 174.298 174.600 -0.293 0.000 1.093 118 S CA -0.633 57.354 58.200 -0.355 0.000 1.017 118 S CB 2.009 64.880 63.200 -0.548 0.000 1.077 118 S HN 0.958 nan 8.310 nan 0.000 0.517 119 G N 0.016 108.600 108.800 -0.361 0.000 2.608 119 G HA2 0.558 4.517 3.960 -0.001 0.000 0.291 119 G HA3 0.558 4.517 3.960 -0.001 0.000 0.291 119 G C -2.222 172.589 174.900 -0.148 0.000 1.425 119 G CA -0.509 44.485 45.100 -0.176 0.000 0.787 119 G HN 0.709 nan 8.290 nan 0.000 0.484 120 H N 0.694 119.683 119.070 -0.135 0.000 3.149 120 H HA 0.366 4.922 4.556 -0.001 0.000 0.334 120 H C -2.263 173.026 175.328 -0.064 0.000 1.000 120 H CA -1.305 54.681 56.048 -0.103 0.000 1.415 120 H CB 2.875 32.578 29.762 -0.099 0.000 1.819 120 H HN 0.157 nan 8.280 nan 0.000 0.486 121 P HA -0.129 nan 4.420 nan 0.000 0.215 121 P C 0.646 178.024 177.300 0.130 0.000 1.163 121 P CA 1.337 64.439 63.100 0.004 0.000 0.894 121 P CB 0.333 31.987 31.700 -0.077 0.000 0.791 122 L N -1.128 120.294 121.223 0.331 0.000 2.783 122 L HA 0.237 4.576 4.340 -0.001 0.000 0.235 122 L C 0.399 177.315 176.870 0.077 0.000 1.260 122 L CA -0.941 54.059 54.840 0.267 0.000 1.184 122 L CB -0.399 41.800 42.059 0.234 0.000 1.472 122 L HN -0.010 nan 8.230 nan 0.000 0.426 123 L N 0.974 122.195 121.223 -0.003 0.000 2.453 123 L HA 0.249 4.589 4.340 -0.001 0.000 0.261 123 L C 0.319 177.070 176.870 -0.198 0.000 1.179 123 L CA 0.218 54.902 54.840 -0.261 0.000 0.813 123 L CB 0.859 42.870 42.059 -0.081 0.000 1.110 123 L HN 0.283 nan 8.230 nan 0.000 0.466 124 N N 3.341 121.901 118.700 -0.233 0.000 2.501 124 N HA 0.295 5.034 4.740 -0.001 0.000 0.245 124 N C -1.387 174.080 175.510 -0.071 0.000 0.974 124 N CA -0.372 52.580 53.050 -0.164 0.000 0.941 124 N CB 0.395 38.763 38.487 -0.199 0.000 1.122 124 N HN 0.479 nan 8.380 nan 0.000 0.507 125 K N 5.471 125.863 120.400 -0.013 0.000 2.690 125 K HA 0.126 4.446 4.320 -0.001 0.000 0.243 125 K C -0.264 176.360 176.600 0.039 0.000 0.982 125 K CA -0.536 55.775 56.287 0.041 0.000 0.955 125 K CB 0.836 33.195 32.500 -0.234 0.000 1.185 125 K HN 0.454 nan 8.250 nan 0.000 0.467 126 L N 3.352 124.647 121.223 0.120 0.000 1.913 126 L HA -0.004 4.336 4.340 -0.001 0.000 0.217 126 L C -0.169 176.766 176.870 0.109 0.000 1.086 126 L CA 2.180 57.080 54.840 0.099 0.000 0.772 126 L CB -0.247 41.884 42.059 0.120 0.000 0.887 126 L HN 0.840 nan 8.230 nan 0.000 0.432 127 D N -2.224 118.284 120.400 0.180 0.000 2.602 127 D HA 0.267 4.907 4.640 -0.001 0.000 0.236 127 D C -1.486 175.005 176.300 0.318 0.000 1.209 127 D CA -0.623 53.498 54.000 0.202 0.000 0.831 127 D CB 0.505 41.392 40.800 0.145 0.000 1.478 127 D HN 0.121 nan 8.370 nan 0.000 0.438 128 D N -0.094 120.492 120.400 0.310 0.000 2.422 128 D HA 0.174 4.814 4.640 -0.001 0.000 0.227 128 D C 0.796 177.166 176.300 0.117 0.000 1.190 128 D CA -0.352 53.829 54.000 0.301 0.000 0.905 128 D CB 0.559 41.520 40.800 0.269 0.000 1.034 128 D HN 0.382 nan 8.370 nan 0.000 0.507 129 T N 0.244 114.846 114.554 0.081 0.000 3.252 129 T HA -0.017 4.332 4.350 -0.001 0.000 0.250 129 T C 1.278 175.925 174.700 -0.089 0.000 1.123 129 T CA 0.142 62.255 62.100 0.021 0.000 1.006 129 T CB -0.050 68.870 68.868 0.088 0.000 0.992 129 T HN 0.512 nan 8.240 nan 0.000 0.547 130 E N 1.906 122.028 120.200 -0.131 0.000 2.046 130 E HA -0.110 4.239 4.350 -0.001 0.000 0.190 130 E C 0.998 177.538 176.600 -0.101 0.000 0.982 130 E CA 0.828 57.133 56.400 -0.158 0.000 0.800 130 E CB 0.123 29.697 29.700 -0.210 0.000 0.756 130 E HN 0.476 nan 8.360 nan 0.000 0.449 131 N N 0.122 118.784 118.700 -0.063 0.000 2.651 131 N HA 0.057 4.797 4.740 -0.001 0.000 0.277 131 N C -1.703 173.807 175.510 -0.001 0.000 1.787 131 N CA -0.091 52.938 53.050 -0.035 0.000 0.818 131 N CB 0.724 39.184 38.487 -0.043 0.000 1.316 131 N HN 0.014 nan 8.380 nan 0.000 0.503 132 S N 0.105 115.815 115.700 0.017 0.000 2.554 132 S HA 0.010 4.479 4.470 -0.001 0.000 0.290 132 S C 1.387 176.012 174.600 0.042 0.000 1.309 132 S CA 0.270 58.499 58.200 0.048 0.000 1.047 132 S CB 0.275 63.519 63.200 0.073 0.000 0.828 132 S HN 0.558 nan 8.310 nan 0.000 0.509 133 N N 2.807 121.536 118.700 0.049 0.000 2.109 133 N HA -0.006 4.733 4.740 -0.001 0.000 0.188 133 N C 0.592 176.132 175.510 0.050 0.000 1.034 133 N CA 0.678 53.754 53.050 0.042 0.000 0.846 133 N CB 0.024 38.535 38.487 0.039 0.000 1.010 133 N HN 0.453 nan 8.380 nan 0.000 0.425 134 K N -0.709 119.731 120.400 0.067 0.000 1.740 134 K HA 0.211 4.531 4.320 -0.001 0.000 0.273 134 K C -1.540 175.158 176.600 0.163 0.000 0.796 134 K CA -0.538 55.806 56.287 0.095 0.000 0.535 134 K CB 0.158 32.701 32.500 0.071 0.000 2.513 134 K HN -0.022 nan 8.250 nan 0.000 0.873 135 Y N 1.548 121.863 120.300 0.024 0.000 2.317 135 Y HA 0.423 4.973 4.550 -0.001 0.000 0.325 135 Y C -1.463 174.451 175.900 0.023 0.000 1.066 135 Y CA -0.804 57.312 58.100 0.025 0.000 1.203 135 Y CB 0.940 39.413 38.460 0.022 0.000 1.127 135 Y HN 0.141 nan 8.280 nan 0.000 0.451 136 V N 5.811 125.458 119.914 -0.445 0.000 2.481 136 V HA 0.619 4.738 4.120 -0.001 0.000 0.286 136 V C 1.070 176.736 176.094 -0.713 0.000 1.042 136 V CA -0.215 61.820 62.300 -0.442 0.000 0.928 136 V CB 1.282 32.993 31.823 -0.187 0.000 0.986 136 V HN 1.007 nan 8.190 nan 0.000 0.462 137 G N 2.832 111.302 108.800 -0.551 0.000 2.771 137 G HA2 -0.003 3.957 3.960 -0.001 0.000 0.242 137 G HA3 -0.003 3.957 3.960 -0.001 0.000 0.242 137 G C 0.104 174.878 174.900 -0.209 0.000 1.233 137 G CA -0.480 44.382 45.100 -0.396 0.000 0.858 137 G HN 0.876 nan 8.290 nan 0.000 0.591 138 N N 0.489 119.141 118.700 -0.081 0.000 1.960 138 N HA -0.007 4.732 4.740 -0.001 0.000 0.295 138 N C 1.135 176.625 175.510 -0.033 0.000 1.364 138 N CA 0.818 53.856 53.050 -0.019 0.000 0.887 138 N CB 0.083 38.578 38.487 0.013 0.000 1.226 138 N HN 0.756 nan 8.380 nan 0.000 0.492 139 S N 1.124 116.807 115.700 -0.028 0.000 2.687 139 S HA 0.236 4.705 4.470 -0.001 0.000 0.248 139 S C 1.114 175.708 174.600 -0.010 0.000 1.390 139 S CA -0.046 58.142 58.200 -0.020 0.000 0.963 139 S CB 0.382 63.577 63.200 -0.008 0.000 0.957 139 S HN 0.532 nan 8.310 nan 0.000 0.584 140 G N -0.780 108.015 108.800 -0.008 0.000 3.134 140 G HA2 0.559 4.519 3.960 -0.001 0.000 0.158 140 G HA3 0.559 4.519 3.960 -0.001 0.000 0.158 140 G C -0.648 174.250 174.900 -0.004 0.000 1.334 140 G CA -0.465 44.632 45.100 -0.006 0.000 1.001 140 G HN 0.802 nan 8.290 nan 0.000 0.600 141 T N 0.684 115.236 114.554 -0.004 0.000 2.929 141 T HA 0.464 4.814 4.350 -0.001 0.000 0.284 141 T C -0.810 173.888 174.700 -0.004 0.000 1.014 141 T CA 0.295 62.392 62.100 -0.004 0.000 1.051 141 T CB 1.255 70.121 68.868 -0.004 0.000 1.028 141 T HN 0.558 nan 8.240 nan 0.000 0.485 142 D N 1.764 122.160 120.400 -0.007 0.000 3.763 142 D HA -0.145 4.494 4.640 -0.001 0.000 0.232 142 D C -0.364 175.933 176.300 -0.005 0.000 1.108 142 D CA 0.408 54.404 54.000 -0.007 0.000 1.117 142 D CB -0.868 39.930 40.800 -0.004 0.000 0.846 142 D HN 0.615 nan 8.370 nan 0.000 0.405 143 N N 1.531 120.227 118.700 -0.007 0.000 2.351 143 N HA 0.141 4.881 4.740 -0.001 0.000 0.254 143 N C 0.155 175.660 175.510 -0.009 0.000 1.241 143 N CA -0.497 52.551 53.050 -0.003 0.000 0.883 143 N CB 0.600 39.089 38.487 0.002 0.000 1.202 143 N HN 0.237 nan 8.380 nan 0.000 0.512 144 R N 1.288 121.779 120.500 -0.014 0.000 2.801 144 R HA 0.290 4.630 4.340 -0.001 0.000 0.273 144 R C 0.074 176.367 176.300 -0.013 0.000 1.080 144 R CA 0.114 56.200 56.100 -0.024 0.000 1.197 144 R CB 0.375 30.659 30.300 -0.027 0.000 1.109 144 R HN 0.369 nan 8.270 nan 0.000 0.535 145 E N -0.613 119.577 120.200 -0.017 0.000 2.401 145 E HA 0.148 4.497 4.350 -0.001 0.000 0.280 145 E C -1.429 175.176 176.600 0.008 0.000 1.039 145 E CA -0.943 55.453 56.400 -0.007 0.000 0.814 145 E CB 0.963 30.649 29.700 -0.023 0.000 1.275 145 E HN 0.388 nan 8.360 nan 0.000 0.448 146 C N 2.306 121.614 119.300 0.014 0.000 2.662 146 C HA 0.352 4.812 4.460 -0.001 0.000 0.402 146 C C -0.206 174.781 174.990 -0.006 0.000 1.397 146 C CA 0.345 59.371 59.018 0.015 0.000 1.575 146 C CB -2.091 25.656 27.740 0.011 0.000 2.406 146 C HN 0.440 nan 8.230 nan 0.000 0.609 147 I N 5.444 126.012 120.570 -0.004 0.000 2.680 147 I HA 0.342 4.512 4.170 -0.001 0.000 0.291 147 I C -0.089 176.025 176.117 -0.006 0.000 1.244 147 I CA 0.081 61.369 61.300 -0.021 0.000 1.042 147 I CB 2.345 40.306 38.000 -0.066 0.000 1.277 147 I HN 0.633 nan 8.210 nan 0.000 0.423 148 S N 6.639 122.332 115.700 -0.011 0.000 2.751 148 S HA 0.987 5.457 4.470 -0.001 0.000 0.310 148 S C -0.591 174.004 174.600 -0.008 0.000 1.128 148 S CA -0.711 57.473 58.200 -0.026 0.000 0.931 148 S CB 2.599 65.780 63.200 -0.032 0.000 1.177 148 S HN 0.746 nan 8.310 nan 0.000 0.530 149 M N -0.356 119.221 119.600 -0.039 0.000 3.043 149 M HA 0.330 4.810 4.480 -0.001 0.000 0.264 149 M C -2.650 173.594 176.300 -0.093 0.000 0.969 149 M CA -0.715 54.577 55.300 -0.013 0.000 0.785 149 M CB 1.409 34.063 32.600 0.091 0.000 1.634 149 M HN 0.788 nan 8.290 nan 0.000 0.560 150 D N 1.810 122.189 120.400 -0.034 0.000 2.232 150 D HA 0.394 5.033 4.640 -0.001 0.000 0.242 150 D C -1.077 175.271 176.300 0.079 0.000 1.093 150 D CA -0.234 53.743 54.000 -0.038 0.000 0.845 150 D CB 1.139 41.940 40.800 0.001 0.000 1.124 150 D HN 0.651 nan 8.370 nan 0.000 0.467 151 Y N 0.826 121.178 120.300 0.086 0.000 2.357 151 Y HA -0.007 4.543 4.550 -0.001 0.000 0.340 151 Y C 1.632 177.570 175.900 0.064 0.000 1.260 151 Y CA -0.932 57.229 58.100 0.100 0.000 1.425 151 Y CB 0.975 39.515 38.460 0.132 0.000 1.326 151 Y HN 0.325 nan 8.280 nan 0.000 0.580 152 K N 2.468 123.011 120.400 0.239 0.000 2.586 152 K HA -0.166 4.154 4.320 -0.001 0.000 0.280 152 K C -0.403 176.285 176.600 0.147 0.000 0.972 152 K CA -0.064 56.303 56.287 0.132 0.000 1.040 152 K CB 0.387 32.955 32.500 0.113 0.000 0.870 152 K HN 0.721 nan 8.250 nan 0.000 0.497 153 Q N 2.725 122.596 119.800 0.117 0.000 2.243 153 Q HA 0.246 4.586 4.340 -0.001 0.000 0.252 153 Q C -1.396 174.667 176.000 0.104 0.000 0.909 153 Q CA -0.405 55.466 55.803 0.114 0.000 0.922 153 Q CB 1.517 30.312 28.738 0.096 0.000 1.215 153 Q HN 0.642 nan 8.270 nan 0.000 0.427 154 T N 3.546 118.163 114.554 0.106 0.000 2.933 154 T HA 0.412 4.761 4.350 -0.001 0.000 0.305 154 T C -1.211 173.545 174.700 0.093 0.000 1.092 154 T CA -0.779 61.379 62.100 0.095 0.000 1.008 154 T CB 1.727 70.657 68.868 0.103 0.000 1.102 154 T HN 0.649 nan 8.240 nan 0.000 0.469 155 Q N 1.797 121.638 119.800 0.069 0.000 2.263 155 Q HA 0.660 5.000 4.340 -0.001 0.000 0.262 155 Q C -1.496 174.564 176.000 0.100 0.000 0.984 155 Q CA -0.903 54.949 55.803 0.081 0.000 0.813 155 Q CB 2.331 31.004 28.738 -0.108 0.000 1.299 155 Q HN 0.664 nan 8.270 nan 0.000 0.428 156 L N -0.842 120.548 121.223 0.277 0.000 2.469 156 L HA 0.999 5.339 4.340 -0.001 0.000 0.256 156 L C -1.545 175.547 176.870 0.370 0.000 1.006 156 L CA -0.778 54.208 54.840 0.243 0.000 0.832 156 L CB 2.339 44.508 42.059 0.183 0.000 1.421 156 L HN 0.684 nan 8.230 nan 0.000 0.410 157 C N 2.652 122.136 119.300 0.306 0.000 2.832 157 C HA 0.784 5.244 4.460 -0.001 0.000 0.383 157 C C -1.461 173.698 174.990 0.282 0.000 1.046 157 C CA -0.513 58.709 59.018 0.340 0.000 1.242 157 C CB 0.334 28.359 27.740 0.474 0.000 1.693 157 C HN 0.926 nan 8.230 nan 0.000 0.497 158 L N 6.814 128.195 121.223 0.264 0.000 2.362 158 L HA 0.753 5.093 4.340 -0.001 0.000 0.275 158 L C -0.552 176.484 176.870 0.276 0.000 0.998 158 L CA -0.735 54.256 54.840 0.252 0.000 0.820 158 L CB 1.513 43.643 42.059 0.119 0.000 1.270 158 L HN 0.419 nan 8.230 nan 0.000 0.415 159 I N 1.918 122.701 120.570 0.356 0.000 2.433 159 I HA 0.843 5.013 4.170 -0.001 0.000 0.292 159 I C 0.436 176.617 176.117 0.105 0.000 1.001 159 I CA -0.247 61.264 61.300 0.352 0.000 1.119 159 I CB 1.425 39.740 38.000 0.525 0.000 1.289 159 I HN 0.780 nan 8.210 nan 0.000 0.438 160 G N 3.148 111.900 108.800 -0.080 0.000 2.576 160 G HA2 0.389 4.349 3.960 -0.001 0.000 0.290 160 G HA3 0.389 4.349 3.960 -0.001 0.000 0.290 160 G C -0.242 174.544 174.900 -0.189 0.000 1.442 160 G CA -0.364 44.270 45.100 -0.776 0.000 0.792 160 G HN 0.709 nan 8.290 nan 0.000 0.491 161 C N -0.716 118.502 119.300 -0.137 0.000 2.780 161 C HA 0.654 5.114 4.460 -0.001 0.000 0.287 161 C C 0.520 175.641 174.990 0.218 0.000 1.288 161 C CA -0.859 58.315 59.018 0.258 0.000 1.713 161 C CB -1.389 26.575 27.740 0.374 0.000 1.955 161 C HN 0.461 nan 8.230 nan 0.000 0.613 162 R N 1.321 121.793 120.500 -0.048 0.000 2.744 162 R HA 0.523 4.863 4.340 -0.001 0.000 0.279 162 R C -3.035 172.790 176.300 -0.792 0.000 0.977 162 R CA -1.638 54.263 56.100 -0.331 0.000 0.906 162 R CB 1.668 31.861 30.300 -0.178 0.000 1.197 162 R HN 0.041 nan 8.270 nan 0.000 0.463 163 P HA 0.087 nan 4.420 nan 0.000 0.268 163 P C -2.324 174.671 177.300 -0.507 0.000 1.204 163 P CA -1.103 61.363 63.100 -1.057 0.000 0.768 163 P CB 0.010 31.155 31.700 -0.925 0.000 0.842 164 P HA 0.131 nan 4.420 nan 0.000 0.272 164 P C -0.166 176.968 177.300 -0.278 0.000 1.223 164 P CA -0.024 62.910 63.100 -0.276 0.000 0.784 164 P CB 0.600 32.165 31.700 -0.226 0.000 0.923 165 I N -1.187 119.230 120.570 -0.255 0.000 2.437 165 I HA 0.774 4.944 4.170 -0.001 0.000 0.298 165 I C 0.176 176.150 176.117 -0.238 0.000 0.984 165 I CA -0.591 60.568 61.300 -0.235 0.000 1.214 165 I CB 1.815 39.706 38.000 -0.181 0.000 1.365 165 I HN 0.317 nan 8.210 nan 0.000 0.469 166 G N 3.831 112.502 108.800 -0.215 0.000 2.597 166 G HA2 0.687 4.647 3.960 -0.001 0.000 0.317 166 G HA3 0.687 4.647 3.960 -0.001 0.000 0.317 166 G C -1.428 173.426 174.900 -0.076 0.000 1.230 166 G CA -0.807 44.190 45.100 -0.172 0.000 0.996 166 G HN 0.855 nan 8.290 nan 0.000 0.490 167 E N -0.517 119.671 120.200 -0.019 0.000 2.210 167 E HA 0.562 4.912 4.350 -0.001 0.000 0.266 167 E C -0.957 175.652 176.600 0.016 0.000 0.883 167 E CA -0.963 55.404 56.400 -0.054 0.000 0.761 167 E CB 1.876 31.509 29.700 -0.112 0.000 1.156 167 E HN 0.731 nan 8.360 nan 0.000 0.412 168 H N 1.022 119.989 119.070 -0.171 0.000 2.985 168 H HA 0.344 4.899 4.556 -0.001 0.000 0.360 168 H C -1.624 173.602 175.328 -0.170 0.000 1.221 168 H CA -1.397 54.580 56.048 -0.118 0.000 1.121 168 H CB 0.704 30.471 29.762 0.008 0.000 1.854 168 H HN 0.656 nan 8.280 nan 0.000 0.551 169 W N 1.059 122.339 121.300 -0.032 0.000 2.331 169 W HA 0.548 5.207 4.660 -0.001 0.000 0.306 169 W C 0.478 176.944 176.519 -0.089 0.000 1.162 169 W CA -0.254 57.022 57.345 -0.116 0.000 1.232 169 W CB 1.724 31.150 29.460 -0.057 0.000 1.235 169 W HN 0.841 nan 8.180 nan 0.000 0.479 170 G N 2.156 111.003 108.800 0.078 0.000 2.788 170 G HA2 0.412 4.371 3.960 -0.001 0.000 0.293 170 G HA3 0.412 4.371 3.960 -0.001 0.000 0.293 170 G C -1.481 173.468 174.900 0.081 0.000 1.305 170 G CA -1.102 44.042 45.100 0.074 0.000 1.005 170 G HN 0.291 nan 8.290 nan 0.000 0.496 171 K N -0.057 120.377 120.400 0.056 0.000 2.349 171 K HA 0.454 4.774 4.320 -0.001 0.000 0.288 171 K C 0.593 177.211 176.600 0.031 0.000 1.058 171 K CA -0.096 56.212 56.287 0.036 0.000 0.953 171 K CB 0.345 32.860 32.500 0.025 0.000 0.997 171 K HN 0.514 nan 8.250 nan 0.000 0.477 172 G N 1.857 110.674 108.800 0.029 0.000 2.531 172 G HA2 0.275 4.235 3.960 -0.001 0.000 0.313 172 G HA3 0.275 4.235 3.960 -0.001 0.000 0.313 172 G C -0.899 174.010 174.900 0.015 0.000 1.238 172 G CA -0.559 44.556 45.100 0.025 0.000 0.994 172 G HN 0.560 nan 8.290 nan 0.000 0.493 173 T N 2.368 116.928 114.554 0.011 0.000 2.799 173 T HA 0.515 4.864 4.350 -0.001 0.000 0.286 173 T C -1.758 172.946 174.700 0.006 0.000 0.973 173 T CA -0.599 61.505 62.100 0.007 0.000 1.035 173 T CB 1.506 70.377 68.868 0.005 0.000 0.932 173 T HN 0.507 nan 8.240 nan 0.000 0.469 174 P HA 0.229 nan 4.420 nan 0.000 0.272 174 P C 0.099 177.400 177.300 0.002 0.000 1.230 174 P CA -0.531 62.570 63.100 0.002 0.000 0.788 174 P CB 0.545 32.245 31.700 -0.000 0.000 0.949 175 S N 0.698 116.399 115.700 0.002 0.000 2.608 175 S HA 0.005 4.474 4.470 -0.001 0.000 0.261 175 S C 0.666 175.266 174.600 0.000 0.000 1.314 175 S CA -0.742 57.459 58.200 0.001 0.000 0.992 175 S CB -0.025 63.176 63.200 0.002 0.000 0.935 175 S HN 0.577 nan 8.310 nan 0.000 0.564 176 N N 1.633 120.333 118.700 0.000 0.000 2.416 176 N HA 0.256 4.996 4.740 -0.001 0.000 0.291 176 N C -0.093 175.417 175.510 -0.001 0.000 1.257 176 N CA 0.683 53.733 53.050 -0.000 0.000 1.043 176 N CB -0.812 37.674 38.487 -0.000 0.000 1.441 176 N HN 0.797 nan 8.380 nan 0.000 0.490 177 A N 3.347 126.167 122.820 -0.001 0.000 4.928 177 A HA 0.305 4.624 4.320 -0.001 0.000 0.242 177 A C -0.681 176.902 177.584 -0.002 0.000 0.976 177 A CA -0.684 51.353 52.037 -0.001 0.000 0.612 177 A CB 0.130 19.129 19.000 -0.001 0.000 1.867 177 A HN 0.537 nan 8.150 nan 0.000 0.907 178 N N 1.291 119.989 118.700 -0.002 0.000 2.344 178 N HA 0.273 5.013 4.740 -0.001 0.000 0.236 178 N C -0.026 175.482 175.510 -0.003 0.000 1.279 178 N CA 0.202 53.251 53.050 -0.003 0.000 0.882 178 N CB 0.252 38.737 38.487 -0.003 0.000 1.110 178 N HN 0.577 nan 8.380 nan 0.000 0.436 179 Q N 1.296 121.094 119.800 -0.003 0.000 2.293 179 Q HA 0.113 4.453 4.340 -0.001 0.000 0.263 179 Q C -0.934 175.063 176.000 -0.004 0.000 1.002 179 Q CA -0.484 55.317 55.803 -0.003 0.000 0.910 179 Q CB 0.543 29.280 28.738 -0.003 0.000 1.185 179 Q HN 0.413 nan 8.270 nan 0.000 0.401 180 V N 6.809 126.720 119.914 -0.004 0.000 2.324 180 V HA -0.041 4.079 4.120 -0.001 0.000 0.244 180 V C 0.741 176.832 176.094 -0.006 0.000 1.144 180 V CA -0.110 62.187 62.300 -0.006 0.000 1.158 180 V CB -1.104 30.715 31.823 -0.006 0.000 1.254 180 V HN 0.615 nan 8.190 nan 0.000 0.492 181 K N 3.465 123.862 120.400 -0.006 0.000 2.149 181 K HA 0.479 4.799 4.320 -0.001 0.000 0.245 181 K C 0.304 176.899 176.600 -0.007 0.000 1.024 181 K CA -0.034 56.250 56.287 -0.006 0.000 0.899 181 K CB 0.513 33.010 32.500 -0.005 0.000 1.038 181 K HN 0.449 nan 8.250 nan 0.000 0.496 182 A N -0.197 122.619 122.820 -0.007 0.000 2.540 182 A HA 0.396 4.715 4.320 -0.001 0.000 0.239 182 A C 1.271 178.849 177.584 -0.009 0.000 1.061 182 A CA 0.921 52.954 52.037 -0.008 0.000 0.758 182 A CB -1.096 17.900 19.000 -0.007 0.000 0.991 182 A HN 1.260 nan 8.150 nan 0.000 0.502 183 G N 1.162 109.955 108.800 -0.012 0.000 2.376 183 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.208 183 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.208 183 G C 0.247 175.138 174.900 -0.016 0.000 1.032 183 G CA 0.182 45.274 45.100 -0.014 0.000 0.641 183 G HN 0.766 nan 8.290 nan 0.000 0.503 184 E N 0.318 120.509 120.200 -0.015 0.000 2.408 184 E HA 0.392 4.742 4.350 -0.001 0.000 0.259 184 E C 0.494 177.082 176.600 -0.021 0.000 1.110 184 E CA -0.500 55.890 56.400 -0.017 0.000 0.929 184 E CB 1.077 30.769 29.700 -0.013 0.000 0.971 184 E HN 0.442 nan 8.360 nan 0.000 0.438 185 C N 5.129 124.414 119.300 -0.025 0.000 2.464 185 C HA 0.337 4.797 4.460 -0.001 0.000 0.370 185 C C -1.837 173.135 174.990 -0.030 0.000 1.267 185 C CA -1.595 57.404 59.018 -0.032 0.000 1.781 185 C CB -0.654 27.062 27.740 -0.039 0.000 2.431 185 C HN 0.417 nan 8.230 nan 0.000 0.556 186 P HA 0.256 nan 4.420 nan 0.000 0.271 186 P C -2.629 174.656 177.300 -0.025 0.000 1.218 186 P CA -0.750 62.338 63.100 -0.020 0.000 0.780 186 P CB 0.332 32.024 31.700 -0.014 0.000 0.901 187 P HA 0.132 nan 4.420 nan 0.000 0.275 187 P C -0.257 177.042 177.300 -0.003 0.000 1.227 187 P CA -0.095 62.995 63.100 -0.017 0.000 0.781 187 P CB 0.577 32.275 31.700 -0.003 0.000 0.906 188 L N 1.671 122.885 121.223 -0.016 0.000 2.421 188 L HA 0.484 4.824 4.340 -0.001 0.000 0.263 188 L C 0.783 177.765 176.870 0.186 0.000 1.122 188 L CA -0.005 54.867 54.840 0.053 0.000 0.804 188 L CB -0.077 41.951 42.059 -0.051 0.000 1.150 188 L HN 0.560 nan 8.230 nan 0.000 0.457 189 E N 0.988 121.349 120.200 0.267 0.000 2.308 189 E HA 0.268 4.618 4.350 -0.001 0.000 0.275 189 E C -1.603 175.036 176.600 0.065 0.000 0.890 189 E CA -0.912 55.615 56.400 0.211 0.000 0.754 189 E CB 2.739 32.481 29.700 0.071 0.000 1.207 189 E HN 0.344 nan 8.360 nan 0.000 0.426 190 L N 5.382 126.500 121.223 -0.175 0.000 2.456 190 L HA 0.278 4.618 4.340 -0.001 0.000 0.277 190 L C -1.093 175.539 176.870 -0.396 0.000 1.124 190 L CA 0.426 54.892 54.840 -0.623 0.000 0.880 190 L CB 0.037 41.722 42.059 -0.623 0.000 1.192 190 L HN 0.448 nan 8.230 nan 0.000 0.463 191 L N 4.820 125.748 121.223 -0.491 0.000 2.331 191 L HA 0.531 4.871 4.340 -0.001 0.000 0.275 191 L C -0.051 176.665 176.870 -0.256 0.000 1.022 191 L CA -0.772 53.853 54.840 -0.358 0.000 0.812 191 L CB 1.258 43.089 42.059 -0.380 0.000 1.257 191 L HN 0.516 nan 8.230 nan 0.000 0.435 192 N N 0.473 119.087 118.700 -0.144 0.000 2.456 192 N HA 0.599 5.339 4.740 -0.001 0.000 0.296 192 N C -0.625 174.859 175.510 -0.044 0.000 1.102 192 N CA -0.240 52.754 53.050 -0.094 0.000 0.924 192 N CB 2.072 40.503 38.487 -0.093 0.000 1.186 192 N HN 0.621 nan 8.380 nan 0.000 0.492 193 T N -0.592 113.932 114.554 -0.050 0.000 2.942 193 T HA 0.357 4.707 4.350 -0.001 0.000 0.327 193 T C -1.284 173.321 174.700 -0.159 0.000 1.360 193 T CA -0.586 61.478 62.100 -0.060 0.000 1.055 193 T CB 0.589 69.467 68.868 0.016 0.000 1.261 193 T HN 0.033 nan 8.240 nan 0.000 0.485 194 V N 4.826 124.592 119.914 -0.247 0.000 2.649 194 V HA 0.382 4.502 4.120 -0.001 0.000 0.292 194 V C 0.679 176.576 176.094 -0.328 0.000 1.055 194 V CA -0.712 61.370 62.300 -0.362 0.000 1.023 194 V CB 1.121 32.532 31.823 -0.686 0.000 0.992 194 V HN 0.778 nan 8.190 nan 0.000 0.480 195 L N 5.237 126.277 121.223 -0.304 0.000 2.500 195 L HA 0.213 4.552 4.340 -0.001 0.000 0.272 195 L C 0.347 177.170 176.870 -0.078 0.000 1.149 195 L CA 0.433 55.089 54.840 -0.307 0.000 0.897 195 L CB 0.059 41.893 42.059 -0.375 0.000 1.178 195 L HN 0.713 nan 8.230 nan 0.000 0.473 196 Q N 1.776 121.536 119.800 -0.067 0.000 2.306 196 Q HA 0.204 4.544 4.340 -0.001 0.000 0.265 196 Q C -0.748 175.325 176.000 0.122 0.000 1.022 196 Q CA -0.941 54.926 55.803 0.105 0.000 0.853 196 Q CB 2.321 31.030 28.738 -0.049 0.000 1.327 196 Q HN 0.455 nan 8.270 nan 0.000 0.449 197 D N 0.005 120.534 120.400 0.216 0.000 2.487 197 D HA 0.196 4.835 4.640 -0.001 0.000 0.243 197 D C 0.809 177.161 176.300 0.087 0.000 1.154 197 D CA 2.021 56.094 54.000 0.122 0.000 0.876 197 D CB 0.203 41.081 40.800 0.130 0.000 1.161 197 D HN 0.679 nan 8.370 nan 0.000 0.478 198 G N 3.322 112.185 108.800 0.105 0.000 2.253 198 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.209 198 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.209 198 G C 0.053 175.026 174.900 0.122 0.000 0.997 198 G CA -0.042 45.118 45.100 0.100 0.000 0.640 198 G HN 0.622 nan 8.290 nan 0.000 0.496 199 D N 1.592 122.066 120.400 0.124 0.000 2.362 199 D HA 0.417 5.056 4.640 -0.001 0.000 0.238 199 D C 1.106 177.567 176.300 0.268 0.000 1.212 199 D CA 0.318 54.386 54.000 0.113 0.000 0.902 199 D CB 0.367 41.134 40.800 -0.055 0.000 1.180 199 D HN 0.091 nan 8.370 nan 0.000 0.445 200 M N 0.720 120.457 119.600 0.227 0.000 2.314 200 M HA 0.241 4.721 4.480 -0.001 0.000 0.342 200 M C 0.037 176.552 176.300 0.357 0.000 1.171 200 M CA -1.025 54.423 55.300 0.247 0.000 1.098 200 M CB 1.011 33.698 32.600 0.144 0.000 1.559 200 M HN 0.078 nan 8.290 nan 0.000 0.459 201 V N -0.128 119.940 119.914 0.256 0.000 3.170 201 V HA 0.384 4.504 4.120 -0.001 0.000 0.309 201 V C 0.323 176.543 176.094 0.210 0.000 1.071 201 V CA -1.181 61.263 62.300 0.239 0.000 1.063 201 V CB 0.795 32.620 31.823 0.005 0.000 1.123 201 V HN 0.917 nan 8.190 nan 0.000 0.464 202 D N 0.592 121.151 120.400 0.265 0.000 2.389 202 D HA 0.041 4.680 4.640 -0.001 0.000 0.247 202 D C 0.673 177.041 176.300 0.114 0.000 1.128 202 D CA 0.411 54.549 54.000 0.231 0.000 0.884 202 D CB 1.704 42.676 40.800 0.287 0.000 1.194 202 D HN 0.852 nan 8.370 nan 0.000 0.441 203 T N -1.646 112.908 114.554 -0.001 0.000 3.085 203 T HA 0.431 4.781 4.350 -0.001 0.000 0.264 203 T C 1.293 175.981 174.700 -0.021 0.000 1.019 203 T CA 0.160 62.132 62.100 -0.214 0.000 0.910 203 T CB 0.202 68.316 68.868 -1.256 0.000 1.059 203 T HN 0.811 nan 8.240 nan 0.000 0.542 204 G N 0.815 109.664 108.800 0.082 0.000 2.205 204 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.180 204 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.180 204 G C 0.163 175.011 174.900 -0.088 0.000 1.004 204 G CA -0.257 44.844 45.100 0.003 0.000 0.670 204 G HN 0.470 nan 8.290 nan 0.000 0.496 205 F N 1.909 121.912 119.950 0.088 0.000 2.639 205 F HA 0.509 5.036 4.527 -0.001 0.000 0.302 205 F C 1.562 177.511 175.800 0.248 0.000 1.097 205 F CA 0.768 58.888 58.000 0.200 0.000 1.294 205 F CB 0.934 40.078 39.000 0.239 0.000 1.027 205 F HN 0.789 nan 8.300 nan 0.000 0.550 206 G N 0.959 109.943 108.800 0.306 0.000 2.781 206 G HA2 0.131 4.091 3.960 -0.001 0.000 0.683 206 G HA3 0.131 4.091 3.960 -0.001 0.000 0.683 206 G C -0.686 174.418 174.900 0.340 0.000 1.390 206 G CA -0.708 44.557 45.100 0.274 0.000 0.850 206 G HN 0.613 nan 8.290 nan 0.000 0.557 207 A N 0.961 123.969 122.820 0.314 0.000 2.273 207 A HA 0.871 5.191 4.320 -0.001 0.000 0.320 207 A C 0.432 178.221 177.584 0.342 0.000 1.358 207 A CA 0.771 53.008 52.037 0.333 0.000 0.910 207 A CB 0.137 19.317 19.000 0.300 0.000 1.159 207 A HN 2.149 nan 8.150 nan 0.000 0.526 208 M N 0.667 120.422 119.600 0.259 0.000 3.502 208 M HA 0.697 5.177 4.480 -0.001 0.000 0.310 208 M C -1.828 174.524 176.300 0.086 0.000 1.458 208 M CA -0.716 54.670 55.300 0.143 0.000 0.782 208 M CB 1.536 34.048 32.600 -0.146 0.000 1.942 208 M HN 0.309 nan 8.290 nan 0.000 0.438 209 D N 0.283 120.685 120.400 0.004 0.000 2.446 209 D HA 0.392 5.031 4.640 -0.001 0.000 0.251 209 D C -0.381 175.865 176.300 -0.090 0.000 1.137 209 D CA -0.467 53.553 54.000 0.032 0.000 0.890 209 D CB 0.469 41.351 40.800 0.137 0.000 1.071 209 D HN 0.534 nan 8.370 nan 0.000 0.528 210 F N 1.108 121.087 119.950 0.049 0.000 2.171 210 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 210 F C 2.540 178.347 175.800 0.010 0.000 1.090 210 F CA 1.433 59.443 58.000 0.017 0.000 1.293 210 F CB -0.690 38.301 39.000 -0.014 0.000 1.013 210 F HN 0.341 nan 8.300 nan 0.000 0.486 211 T N -2.015 112.628 114.554 0.148 0.000 2.674 211 T HA -0.223 4.127 4.350 -0.001 0.000 0.265 211 T C 2.060 176.789 174.700 0.048 0.000 1.039 211 T CA 1.938 64.091 62.100 0.088 0.000 1.150 211 T CB -1.197 67.715 68.868 0.074 0.000 0.864 211 T HN 0.426 nan 8.240 nan 0.000 0.427 212 T N -0.192 114.385 114.554 0.038 0.000 3.043 212 T HA 0.149 4.499 4.350 -0.001 0.000 0.263 212 T C 1.669 176.369 174.700 0.001 0.000 1.094 212 T CA 0.304 62.418 62.100 0.022 0.000 1.127 212 T CB -0.336 68.552 68.868 0.033 0.000 0.905 212 T HN 0.150 nan 8.240 nan 0.000 0.490 213 L N 0.438 121.647 121.223 -0.024 0.000 2.513 213 L HA 0.423 4.762 4.340 -0.001 0.000 0.222 213 L C 0.785 177.621 176.870 -0.057 0.000 1.096 213 L CA 0.687 55.494 54.840 -0.055 0.000 0.857 213 L CB -0.113 41.883 42.059 -0.104 0.000 1.026 213 L HN 0.348 nan 8.230 nan 0.000 0.469 214 Q N -0.995 118.786 119.800 -0.032 0.000 2.413 214 Q HA 0.478 4.818 4.340 -0.001 0.000 0.258 214 Q C 0.844 176.841 176.000 -0.004 0.000 1.037 214 Q CA 0.037 55.830 55.803 -0.017 0.000 0.764 214 Q CB 1.778 30.521 28.738 0.008 0.000 1.217 214 Q HN 0.165 nan 8.270 nan 0.000 0.490 215 A N 3.313 126.125 122.820 -0.014 0.000 1.858 215 A HA -0.220 4.099 4.320 -0.001 0.000 0.216 215 A C 1.731 179.309 177.584 -0.009 0.000 1.190 215 A CA 1.899 53.931 52.037 -0.008 0.000 0.617 215 A CB -0.443 18.550 19.000 -0.012 0.000 0.827 215 A HN 0.849 nan 8.150 nan 0.000 0.443 216 N N 1.238 119.924 118.700 -0.023 0.000 2.588 216 N HA -0.241 4.499 4.740 -0.001 0.000 0.190 216 N C 0.626 176.118 175.510 -0.029 0.000 1.094 216 N CA 1.430 54.461 53.050 -0.032 0.000 0.921 216 N CB -0.866 37.585 38.487 -0.059 0.000 0.959 216 N HN 0.738 nan 8.380 nan 0.000 0.448 217 K N -1.135 119.257 120.400 -0.013 0.000 3.139 217 K HA -0.211 4.109 4.320 -0.001 0.000 0.261 217 K C -0.694 175.891 176.600 -0.025 0.000 0.895 217 K CA 1.124 57.417 56.287 0.010 0.000 0.664 217 K CB -2.270 30.257 32.500 0.045 0.000 1.388 217 K HN 0.206 nan 8.250 nan 0.000 0.472 218 S N 0.288 115.882 115.700 -0.176 0.000 3.053 218 S HA 0.052 4.521 4.470 -0.001 0.000 0.255 218 S C -0.696 173.584 174.600 -0.534 0.000 0.976 218 S CA -0.024 57.895 58.200 -0.468 0.000 1.159 218 S CB 0.522 63.547 63.200 -0.291 0.000 1.110 218 S HN 0.634 nan 8.310 nan 0.000 0.633 219 D N 1.534 121.726 120.400 -0.347 0.000 2.788 219 D HA 0.370 5.009 4.640 -0.001 0.000 0.289 219 D C -0.178 175.897 176.300 -0.374 0.000 1.340 219 D CA -0.514 53.264 54.000 -0.370 0.000 0.831 219 D CB 0.295 40.874 40.800 -0.368 0.000 1.103 219 D HN 0.162 nan 8.370 nan 0.000 0.476 220 V N -4.444 115.251 119.914 -0.365 0.000 2.966 220 V HA 0.503 4.623 4.120 -0.001 0.000 0.288 220 V C -3.129 172.829 176.094 -0.226 0.000 1.380 220 V CA -2.053 59.960 62.300 -0.479 0.000 0.966 220 V CB 1.778 33.232 31.823 -0.615 0.000 1.115 220 V HN -0.256 nan 8.190 nan 0.000 0.436 221 P HA 0.177 nan 4.420 nan 0.000 0.267 221 P C 1.104 178.385 177.300 -0.032 0.000 1.201 221 P CA -0.175 62.909 63.100 -0.027 0.000 0.775 221 P CB 0.490 32.158 31.700 -0.054 0.000 0.854 222 L N 2.294 123.495 121.223 -0.037 0.000 2.081 222 L HA -0.212 4.127 4.340 -0.001 0.000 0.212 222 L C 1.862 178.757 176.870 0.041 0.000 1.080 222 L CA 2.175 57.015 54.840 0.001 0.000 0.754 222 L CB -2.073 39.988 42.059 0.002 0.000 0.893 222 L HN 0.494 nan 8.230 nan 0.000 0.433 223 D N 0.224 120.645 120.400 0.036 0.000 2.315 223 D HA -0.229 4.410 4.640 -0.001 0.000 0.211 223 D C 1.746 178.088 176.300 0.071 0.000 0.977 223 D CA 1.644 55.735 54.000 0.152 0.000 0.894 223 D CB -0.411 40.560 40.800 0.285 0.000 0.910 223 D HN 0.647 nan 8.370 nan 0.000 0.490 224 I N -2.542 117.994 120.570 -0.058 0.000 4.471 224 I HA 0.180 4.350 4.170 -0.001 0.000 0.326 224 I C 2.119 178.081 176.117 -0.257 0.000 1.300 224 I CA -0.124 61.049 61.300 -0.212 0.000 1.237 224 I CB -0.118 37.573 38.000 -0.516 0.000 1.195 224 I HN 0.100 nan 8.210 nan 0.000 0.427 225 C N 1.589 120.778 119.300 -0.186 0.000 2.403 225 C HA -0.018 4.441 4.460 -0.001 0.000 0.282 225 C C 2.120 177.159 174.990 0.081 0.000 1.297 225 C CA 0.653 59.630 59.018 -0.069 0.000 1.785 225 C CB -1.947 25.798 27.740 0.009 0.000 1.963 225 C HN 0.704 nan 8.230 nan 0.000 0.507 226 S N -0.050 115.687 115.700 0.063 0.000 2.449 226 S HA 0.608 5.077 4.470 -0.001 0.000 0.237 226 S C -0.194 174.462 174.600 0.093 0.000 1.214 226 S CA -0.189 58.063 58.200 0.087 0.000 1.226 226 S CB -0.258 62.979 63.200 0.061 0.000 0.904 226 S HN 0.586 nan 8.310 nan 0.000 0.490 227 S N 0.408 116.189 115.700 0.135 0.000 2.596 227 S HA 0.576 5.046 4.470 -0.001 0.000 0.270 227 S C -1.086 173.634 174.600 0.200 0.000 1.155 227 S CA -0.793 57.478 58.200 0.120 0.000 0.827 227 S CB 1.032 64.278 63.200 0.077 0.000 1.130 227 S HN 0.486 nan 8.310 nan 0.000 0.467 228 I N 1.182 121.805 120.570 0.087 0.000 2.353 228 I HA 0.334 4.504 4.170 -0.001 0.000 0.293 228 I C -0.540 175.632 176.117 0.091 0.000 0.992 228 I CA -0.191 61.134 61.300 0.042 0.000 1.268 228 I CB 0.993 38.843 38.000 -0.251 0.000 1.387 228 I HN 0.503 nan 8.210 nan 0.000 0.478 229 C N 6.785 126.229 119.300 0.239 0.000 2.168 229 C HA 0.290 4.750 4.460 -0.001 0.000 0.333 229 C C 0.615 175.745 174.990 0.234 0.000 1.106 229 C CA -0.798 58.380 59.018 0.267 0.000 1.574 229 C CB -1.175 26.809 27.740 0.408 0.000 2.055 229 C HN 0.678 nan 8.230 nan 0.000 0.473 230 K N 2.035 122.543 120.400 0.179 0.000 2.126 230 K HA 0.418 4.738 4.320 -0.001 0.000 0.257 230 K C -0.897 175.902 176.600 0.333 0.000 1.007 230 K CA -0.245 56.129 56.287 0.145 0.000 0.928 230 K CB 1.092 33.523 32.500 -0.116 0.000 1.013 230 K HN 0.649 nan 8.250 nan 0.000 0.473 231 Y N 1.327 121.711 120.300 0.140 0.000 2.386 231 Y HA 0.276 4.825 4.550 -0.001 0.000 0.334 231 Y C -2.633 173.297 175.900 0.051 0.000 1.002 231 Y CA -2.460 55.749 58.100 0.183 0.000 1.068 231 Y CB 1.787 40.351 38.460 0.173 0.000 1.203 231 Y HN 0.432 nan 8.280 nan 0.000 0.443 232 P HA -0.108 nan 4.420 nan 0.000 0.263 232 P C -0.975 176.032 177.300 -0.488 0.000 1.168 232 P CA 0.716 63.435 63.100 -0.635 0.000 0.759 232 P CB 0.469 31.408 31.700 -1.269 0.000 0.782 233 D N 2.853 123.039 120.400 -0.356 0.000 2.456 233 D HA 0.059 4.699 4.640 -0.001 0.000 0.219 233 D C 0.179 176.356 176.300 -0.205 0.000 1.126 233 D CA -0.146 53.760 54.000 -0.157 0.000 0.890 233 D CB 0.100 40.827 40.800 -0.121 0.000 1.025 233 D HN 0.298 nan 8.370 nan 0.000 0.511 234 Y N 2.222 122.480 120.300 -0.069 0.000 2.365 234 Y HA 0.011 4.560 4.550 -0.001 0.000 0.293 234 Y C 2.193 178.022 175.900 -0.118 0.000 1.119 234 Y CA 0.310 58.310 58.100 -0.166 0.000 1.203 234 Y CB 0.040 38.406 38.460 -0.156 0.000 1.026 234 Y HN 0.355 nan 8.280 nan 0.000 0.549 235 L N 0.057 121.343 121.223 0.105 0.000 1.994 235 L HA -0.276 4.064 4.340 -0.001 0.000 0.208 235 L C 2.521 179.398 176.870 0.011 0.000 1.071 235 L CA 1.646 56.522 54.840 0.059 0.000 0.745 235 L CB -0.418 41.678 42.059 0.061 0.000 0.892 235 L HN 0.148 nan 8.230 nan 0.000 0.431 236 K N -0.069 120.321 120.400 -0.017 0.000 1.980 236 K HA -0.259 4.061 4.320 -0.001 0.000 0.223 236 K C 2.102 178.673 176.600 -0.048 0.000 1.052 236 K CA 2.237 58.501 56.287 -0.039 0.000 0.974 236 K CB -0.203 32.257 32.500 -0.065 0.000 0.734 236 K HN 0.142 nan 8.250 nan 0.000 0.447 237 M N 0.246 119.790 119.600 -0.094 0.000 2.260 237 M HA -0.195 4.285 4.480 -0.001 0.000 0.261 237 M C 2.113 178.373 176.300 -0.067 0.000 1.066 237 M CA 1.168 56.403 55.300 -0.108 0.000 1.082 237 M CB -0.284 32.201 32.600 -0.192 0.000 1.388 237 M HN 0.060 nan 8.290 nan 0.000 0.419 238 V N -0.398 119.482 119.914 -0.056 0.000 2.307 238 V HA -0.207 3.912 4.120 -0.001 0.000 0.245 238 V C 2.205 178.323 176.094 0.040 0.000 1.045 238 V CA 2.023 64.321 62.300 -0.003 0.000 1.024 238 V CB -0.427 31.407 31.823 0.019 0.000 0.651 238 V HN 0.413 nan 8.190 nan 0.000 0.449 239 S N -0.787 114.931 115.700 0.030 0.000 2.595 239 S HA -0.079 4.390 4.470 -0.001 0.000 0.235 239 S C 0.875 175.501 174.600 0.044 0.000 0.974 239 S CA 0.146 58.370 58.200 0.040 0.000 0.942 239 S CB -0.499 62.717 63.200 0.027 0.000 0.766 239 S HN 0.757 nan 8.310 nan 0.000 0.536 240 E N 2.732 122.960 120.200 0.046 0.000 2.376 240 E HA 0.012 4.361 4.350 -0.001 0.000 0.266 240 E C -1.311 175.344 176.600 0.092 0.000 1.009 240 E CA -1.524 54.913 56.400 0.061 0.000 0.902 240 E CB 0.769 30.507 29.700 0.063 0.000 0.972 240 E HN 0.066 nan 8.360 nan 0.000 0.439 241 P HA -0.204 nan 4.420 nan 0.000 0.215 241 P C 0.648 177.896 177.300 -0.088 0.000 1.153 241 P CA 1.525 64.586 63.100 -0.064 0.000 0.853 241 P CB -0.047 31.520 31.700 -0.222 0.000 0.788 242 Y N -0.014 120.349 120.300 0.106 0.000 2.365 242 Y HA 0.258 4.807 4.550 -0.001 0.000 0.293 242 Y C 1.699 177.762 175.900 0.272 0.000 1.119 242 Y CA 0.787 58.988 58.100 0.168 0.000 1.203 242 Y CB -0.805 37.720 38.460 0.108 0.000 1.026 242 Y HN 0.002 nan 8.280 nan 0.000 0.549 243 G N 1.530 110.538 108.800 0.347 0.000 2.354 243 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.278 243 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.278 243 G C -0.004 175.058 174.900 0.271 0.000 0.953 243 G CA 0.642 45.901 45.100 0.265 0.000 1.346 243 G HN 0.462 nan 8.290 nan 0.000 0.467 244 D N 0.562 121.066 120.400 0.173 0.000 2.455 244 D HA 0.037 4.677 4.640 -0.001 0.000 0.228 244 D C 2.339 178.558 176.300 -0.135 0.000 1.070 244 D CA 0.366 54.441 54.000 0.126 0.000 0.881 244 D CB 0.030 40.952 40.800 0.203 0.000 1.087 244 D HN 0.433 nan 8.370 nan 0.000 0.498 245 M N 1.041 120.580 119.600 -0.101 0.000 2.110 245 M HA -0.172 4.308 4.480 -0.001 0.000 0.257 245 M C -0.061 176.069 176.300 -0.283 0.000 1.071 245 M CA 1.698 56.889 55.300 -0.182 0.000 1.096 245 M CB -0.002 32.523 32.600 -0.125 0.000 1.300 245 M HN 0.082 nan 8.290 nan 0.000 0.411 246 L N -3.254 117.810 121.223 -0.265 0.000 2.543 246 L HA 0.436 4.775 4.340 -0.001 0.000 0.265 246 L C -1.036 175.790 176.870 -0.073 0.000 0.945 246 L CA -0.858 53.831 54.840 -0.251 0.000 0.869 246 L CB 0.757 42.753 42.059 -0.106 0.000 1.294 246 L HN 0.177 nan 8.230 nan 0.000 0.405 247 F N 1.414 121.511 119.950 0.245 0.000 2.708 247 F HA 0.778 5.305 4.527 -0.001 0.000 0.300 247 F C -0.428 175.610 175.800 0.398 0.000 1.118 247 F CA -1.630 56.533 58.000 0.273 0.000 1.307 247 F CB -0.330 38.806 39.000 0.227 0.000 0.986 247 F HN 0.428 nan 8.300 nan 0.000 0.522 248 F N 1.280 121.492 119.950 0.437 0.000 2.765 248 F HA 0.534 5.060 4.527 -0.001 0.000 0.313 248 F C -2.035 173.987 175.800 0.370 0.000 1.136 248 F CA -1.785 56.410 58.000 0.325 0.000 0.952 248 F CB 0.974 40.136 39.000 0.270 0.000 1.268 248 F HN 0.101 nan 8.300 nan 0.000 0.441 249 Y N 3.153 123.039 120.300 -0.689 0.000 2.638 249 Y HA 0.760 5.310 4.550 -0.001 0.000 0.334 249 Y C -2.543 173.036 175.900 -0.536 0.000 1.182 249 Y CA -1.762 56.115 58.100 -0.371 0.000 1.102 249 Y CB 1.071 39.526 38.460 -0.008 0.000 1.343 249 Y HN 0.597 nan 8.280 nan 0.000 0.463 250 L N 2.919 123.962 121.223 -0.300 0.000 2.482 250 L HA 0.799 5.138 4.340 -0.001 0.000 0.263 250 L C -1.099 175.723 176.870 -0.080 0.000 0.957 250 L CA -1.020 53.619 54.840 -0.336 0.000 0.836 250 L CB 2.674 44.512 42.059 -0.367 0.000 1.324 250 L HN 0.806 nan 8.230 nan 0.000 0.406 251 R N 1.078 121.516 120.500 -0.103 0.000 2.750 251 R HA 0.903 5.242 4.340 -0.001 0.000 0.281 251 R C -0.756 175.512 176.300 -0.054 0.000 0.972 251 R CA -1.000 55.088 56.100 -0.020 0.000 0.912 251 R CB 2.098 32.368 30.300 -0.050 0.000 1.187 251 R HN 0.533 nan 8.270 nan 0.000 0.464 252 R N 1.363 121.852 120.500 -0.018 0.000 2.985 252 R HA 0.118 4.457 4.340 -0.001 0.000 0.259 252 R C -1.355 174.957 176.300 0.019 0.000 1.815 252 R CA -0.281 55.804 56.100 -0.025 0.000 1.278 252 R CB 0.852 31.113 30.300 -0.065 0.000 1.403 252 R HN 0.936 nan 8.270 nan 0.000 0.534 253 E N 3.097 123.325 120.200 0.047 0.000 2.207 253 E HA 0.447 4.797 4.350 -0.001 0.000 0.270 253 E C -1.217 175.427 176.600 0.072 0.000 0.927 253 E CA -0.928 55.522 56.400 0.083 0.000 0.799 253 E CB 2.222 32.008 29.700 0.144 0.000 1.172 253 E HN 0.540 nan 8.360 nan 0.000 0.404 254 Q N 2.399 122.248 119.800 0.081 0.000 2.527 254 Q HA 0.563 4.902 4.340 -0.001 0.000 0.280 254 Q C -1.119 174.937 176.000 0.093 0.000 0.977 254 Q CA -1.056 54.795 55.803 0.082 0.000 0.837 254 Q CB 2.075 30.858 28.738 0.075 0.000 1.454 254 Q HN 0.653 nan 8.270 nan 0.000 0.387 255 M N 1.610 121.272 119.600 0.105 0.000 3.012 255 M HA 0.716 5.196 4.480 -0.001 0.000 0.272 255 M C -2.127 174.257 176.300 0.138 0.000 1.187 255 M CA -0.489 54.855 55.300 0.074 0.000 0.813 255 M CB 2.071 34.688 32.600 0.029 0.000 1.626 255 M HN 1.061 nan 8.290 nan 0.000 0.507 256 F N -0.221 119.743 119.950 0.024 0.000 2.831 256 F HA 0.755 5.281 4.527 -0.001 0.000 0.318 256 F C -1.640 174.154 175.800 -0.009 0.000 1.174 256 F CA -1.069 56.932 58.000 0.001 0.000 0.918 256 F CB 0.424 39.422 39.000 -0.004 0.000 1.364 256 F HN 0.311 nan 8.300 nan 0.000 0.475 257 V N 2.743 122.787 119.914 0.218 0.000 2.387 257 V HA 0.342 4.462 4.120 -0.001 0.000 0.260 257 V C 1.056 177.211 176.094 0.100 0.000 1.054 257 V CA -0.240 62.083 62.300 0.039 0.000 0.967 257 V CB 0.148 31.985 31.823 0.025 0.000 1.036 257 V HN 0.954 nan 8.190 nan 0.000 0.481 258 R N 3.988 124.409 120.500 -0.131 0.000 2.078 258 R HA 0.011 4.350 4.340 -0.001 0.000 0.224 258 R C 0.522 176.910 176.300 0.146 0.000 1.149 258 R CA 1.645 57.790 56.100 0.074 0.000 0.916 258 R CB -0.194 30.122 30.300 0.026 0.000 0.821 258 R HN 0.792 nan 8.270 nan 0.000 0.434 259 H N -1.975 116.973 119.070 -0.204 0.000 2.824 259 H HA 0.515 5.071 4.556 -0.001 0.000 0.345 259 H C -1.062 173.911 175.328 -0.591 0.000 1.252 259 H CA -0.757 55.019 56.048 -0.454 0.000 1.246 259 H CB 1.185 30.475 29.762 -0.787 0.000 1.908 259 H HN 0.072 nan 8.280 nan 0.000 0.601 260 L N 2.218 123.056 121.223 -0.641 0.000 2.318 260 L HA 0.417 4.757 4.340 -0.001 0.000 0.277 260 L C -1.055 175.356 176.870 -0.765 0.000 1.008 260 L CA -0.223 54.272 54.840 -0.575 0.000 0.846 260 L CB 0.226 42.058 42.059 -0.378 0.000 1.220 260 L HN 0.335 nan 8.230 nan 0.000 0.423 261 F N 0.938 120.669 119.950 -0.366 0.000 2.631 261 F HA 0.458 4.984 4.527 -0.001 0.000 0.350 261 F C 0.396 176.263 175.800 0.112 0.000 1.080 261 F CA -0.805 57.039 58.000 -0.261 0.000 1.026 261 F CB 1.434 40.108 39.000 -0.544 0.000 1.347 261 F HN 0.346 nan 8.300 nan 0.000 0.501 262 N N -0.017 119.004 118.700 0.536 0.000 2.319 262 N HA 0.400 5.139 4.740 -0.001 0.000 0.305 262 N C -1.206 174.580 175.510 0.461 0.000 1.103 262 N CA -0.808 52.529 53.050 0.478 0.000 0.815 262 N CB 1.387 40.074 38.487 0.334 0.000 1.288 262 N HN 0.338 nan 8.380 nan 0.000 0.493 263 R N 0.995 121.674 120.500 0.298 0.000 2.540 263 R HA 0.537 4.877 4.340 -0.001 0.000 0.287 263 R C -0.609 175.737 176.300 0.076 0.000 0.980 263 R CA -0.480 55.722 56.100 0.170 0.000 0.966 263 R CB 1.682 32.018 30.300 0.061 0.000 1.106 263 R HN 0.546 nan 8.270 nan 0.000 0.480 264 A N 0.423 123.264 122.820 0.035 0.000 2.264 264 A HA 0.774 5.094 4.320 -0.001 0.000 0.304 264 A C 0.041 177.618 177.584 -0.012 0.000 1.100 264 A CA 0.117 52.163 52.037 0.015 0.000 0.839 264 A CB 1.044 20.052 19.000 0.013 0.000 1.121 264 A HN 0.807 nan 8.150 nan 0.000 0.496 265 G N -0.433 108.361 108.800 -0.011 0.000 2.576 265 G HA2 0.427 4.386 3.960 -0.001 0.000 0.686 265 G HA3 0.427 4.386 3.960 -0.001 0.000 0.686 265 G C -0.210 174.679 174.900 -0.019 0.000 1.242 265 G CA -0.190 44.898 45.100 -0.019 0.000 0.819 265 G HN 2.021 nan 8.290 nan 0.000 0.655 266 T N -1.698 112.846 114.554 -0.017 0.000 2.903 266 T HA 0.490 4.840 4.350 -0.001 0.000 0.314 266 T C 0.696 175.380 174.700 -0.026 0.000 1.078 266 T CA -0.041 62.049 62.100 -0.017 0.000 1.114 266 T CB 1.495 70.356 68.868 -0.013 0.000 0.987 266 T HN 1.452 nan 8.240 nan 0.000 0.548 267 V N 3.582 123.478 119.914 -0.030 0.000 2.461 267 V HA 0.436 4.556 4.120 -0.001 0.000 0.275 267 V C 1.683 177.760 176.094 -0.029 0.000 1.047 267 V CA 0.191 62.468 62.300 -0.039 0.000 0.955 267 V CB 0.544 32.335 31.823 -0.053 0.000 0.988 267 V HN 1.188 nan 8.190 nan 0.000 0.471 268 G N 4.130 112.912 108.800 -0.031 0.000 2.637 268 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.215 268 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.215 268 G C 0.462 175.350 174.900 -0.021 0.000 1.289 268 G CA 0.028 45.113 45.100 -0.025 0.000 0.816 268 G HN 0.756 nan 8.290 nan 0.000 0.580 269 E N 2.080 122.266 120.200 -0.024 0.000 1.795 269 E HA 0.293 4.643 4.350 -0.001 0.000 0.261 269 E C 0.446 177.037 176.600 -0.015 0.000 1.238 269 E CA -0.125 56.264 56.400 -0.018 0.000 1.001 269 E CB -0.156 29.532 29.700 -0.021 0.000 1.065 269 E HN 0.438 nan 8.360 nan 0.000 0.418 270 T N -1.383 113.168 114.554 -0.006 0.000 2.934 270 T HA -0.034 4.315 4.350 -0.001 0.000 0.321 270 T C 0.646 175.361 174.700 0.024 0.000 1.080 270 T CA -0.856 61.247 62.100 0.005 0.000 1.132 270 T CB 0.593 69.472 68.868 0.019 0.000 1.039 270 T HN 0.053 nan 8.240 nan 0.000 0.543 271 V N 5.727 125.660 119.914 0.031 0.000 2.450 271 V HA 0.155 4.274 4.120 -0.001 0.000 0.281 271 V C -1.630 174.567 176.094 0.172 0.000 1.019 271 V CA -1.331 61.015 62.300 0.076 0.000 1.062 271 V CB -0.361 31.471 31.823 0.016 0.000 0.979 271 V HN 0.835 nan 8.190 nan 0.000 0.477 272 P HA 0.005 nan 4.420 nan 0.000 0.253 272 P C 0.771 178.139 177.300 0.113 0.000 1.170 272 P CA 0.305 63.461 63.100 0.093 0.000 0.806 272 P CB 0.455 32.190 31.700 0.058 0.000 0.775 273 A N 3.989 126.820 122.820 0.017 0.000 2.285 273 A HA -0.174 4.145 4.320 -0.001 0.000 0.214 273 A C 1.381 178.707 177.584 -0.430 0.000 1.188 273 A CA 1.493 53.321 52.037 -0.348 0.000 0.707 273 A CB -0.630 18.217 19.000 -0.254 0.000 0.771 273 A HN 0.599 nan 8.150 nan 0.000 0.488 274 D N -1.095 119.196 120.400 -0.180 0.000 2.369 274 D HA 0.083 4.723 4.640 -0.001 0.000 0.211 274 D C 1.228 177.482 176.300 -0.077 0.000 1.077 274 D CA -0.078 53.840 54.000 -0.136 0.000 0.842 274 D CB -0.135 40.623 40.800 -0.070 0.000 0.947 274 D HN 0.488 nan 8.370 nan 0.000 0.509 275 L N -0.220 120.990 121.223 -0.021 0.000 2.567 275 L HA 0.129 4.468 4.340 -0.001 0.000 0.225 275 L C -0.099 176.889 176.870 0.197 0.000 1.119 275 L CA 0.118 55.024 54.840 0.109 0.000 0.871 275 L CB -0.076 42.101 42.059 0.196 0.000 1.036 275 L HN 0.117 nan 8.230 nan 0.000 0.459 276 Y N -3.422 116.876 120.300 -0.003 0.000 2.656 276 Y HA 0.560 5.110 4.550 -0.001 0.000 0.334 276 Y C -0.831 175.063 175.900 -0.010 0.000 1.179 276 Y CA -1.729 56.368 58.100 -0.006 0.000 1.050 276 Y CB 0.591 39.046 38.460 -0.007 0.000 1.308 276 Y HN -0.266 nan 8.280 nan 0.000 0.456 277 I N 3.154 123.764 120.570 0.066 0.000 2.396 277 I HA 0.221 4.391 4.170 -0.001 0.000 0.292 277 I C -0.060 176.102 176.117 0.075 0.000 0.999 277 I CA -0.985 60.304 61.300 -0.018 0.000 1.310 277 I CB 1.111 39.119 38.000 0.013 0.000 1.404 277 I HN 0.469 nan 8.210 nan 0.000 0.496 278 K N 4.941 125.329 120.400 -0.019 0.000 2.395 278 K HA 0.099 4.419 4.320 -0.001 0.000 0.283 278 K C 0.169 176.814 176.600 0.076 0.000 1.068 278 K CA -0.031 56.289 56.287 0.055 0.000 1.039 278 K CB 0.495 32.990 32.500 -0.009 0.000 0.924 278 K HN 0.853 nan 8.250 nan 0.000 0.468 279 G N 2.261 111.129 108.800 0.114 0.000 2.338 279 G HA2 0.086 4.045 3.960 -0.001 0.000 0.298 279 G HA3 0.086 4.045 3.960 -0.001 0.000 0.298 279 G C -0.019 174.892 174.900 0.018 0.000 1.140 279 G CA -0.350 44.774 45.100 0.040 0.000 0.860 279 G HN 0.461 nan 8.290 nan 0.000 0.470 280 T N 0.954 115.516 114.554 0.012 0.000 2.926 280 T HA 0.361 4.711 4.350 -0.001 0.000 0.307 280 T C 0.721 175.431 174.700 0.017 0.000 1.059 280 T CA 1.108 63.220 62.100 0.019 0.000 1.122 280 T CB -0.052 68.828 68.868 0.021 0.000 0.972 280 T HN 1.061 nan 8.240 nan 0.000 0.545 281 T N 2.034 116.611 114.554 0.040 0.000 3.386 281 T HA 0.212 4.561 4.350 -0.001 0.000 0.422 281 T C -0.086 174.655 174.700 0.068 0.000 0.767 281 T CA 0.647 62.794 62.100 0.078 0.000 2.225 281 T CB -1.750 67.187 68.868 0.115 0.000 1.714 281 T HN 1.576 nan 8.240 nan 0.000 0.727 282 G N 0.489 109.336 108.800 0.079 0.000 2.350 282 G HA2 0.422 4.382 3.960 -0.001 0.000 0.305 282 G HA3 0.422 4.382 3.960 -0.001 0.000 0.305 282 G C -0.265 174.676 174.900 0.069 0.000 1.479 282 G CA 0.025 45.187 45.100 0.105 0.000 0.949 282 G HN 0.427 nan 8.290 nan 0.000 0.651 283 T N 1.026 115.633 114.554 0.089 0.000 3.248 283 T HA 0.428 4.778 4.350 -0.001 0.000 0.271 283 T C 0.247 174.963 174.700 0.026 0.000 1.005 283 T CA 0.242 62.377 62.100 0.058 0.000 0.902 283 T CB -0.399 68.508 68.868 0.067 0.000 1.102 283 T HN 1.667 nan 8.240 nan 0.000 0.548 284 L N 3.002 124.216 121.223 -0.015 0.000 3.010 284 L HA -0.094 4.245 4.340 -0.001 0.000 0.571 284 L C -1.961 174.881 176.870 -0.046 0.000 1.001 284 L CA -0.481 54.299 54.840 -0.099 0.000 1.301 284 L CB -0.520 41.450 42.059 -0.150 0.000 1.494 284 L HN 0.155 nan 8.230 nan 0.000 0.722 285 P HA 0.076 nan 4.420 nan 0.000 0.270 285 P C -0.077 177.207 177.300 -0.025 0.000 1.221 285 P CA 0.048 63.180 63.100 0.054 0.000 0.788 285 P CB 0.610 32.380 31.700 0.116 0.000 0.904 286 S N 0.065 115.758 115.700 -0.012 0.000 2.566 286 S HA 0.089 4.559 4.470 -0.001 0.000 0.280 286 S C 0.601 175.047 174.600 -0.257 0.000 1.343 286 S CA 0.401 58.545 58.200 -0.092 0.000 1.036 286 S CB -0.519 62.656 63.200 -0.042 0.000 0.866 286 S HN 0.518 nan 8.310 nan 0.000 0.526 287 T N 1.987 116.279 114.554 -0.436 0.000 3.144 287 T HA 0.162 4.511 4.350 -0.001 0.000 0.290 287 T C -0.052 174.070 174.700 -0.963 0.000 0.966 287 T CA -0.063 61.490 62.100 -0.913 0.000 0.907 287 T CB -0.006 68.608 68.868 -0.423 0.000 1.152 287 T HN 0.720 nan 8.240 nan 0.000 0.532 288 S N 2.195 117.596 115.700 -0.499 0.000 2.494 288 S HA 0.464 4.933 4.470 -0.001 0.000 0.312 288 S C -0.481 174.093 174.600 -0.043 0.000 1.121 288 S CA -0.766 57.316 58.200 -0.197 0.000 1.068 288 S CB -0.627 62.529 63.200 -0.072 0.000 1.141 288 S HN 0.382 nan 8.310 nan 0.000 0.527 289 Y N 2.502 122.902 120.300 0.167 0.000 2.376 289 Y HA 0.682 5.231 4.550 -0.000 0.000 0.325 289 Y C 0.050 176.159 175.900 0.347 0.000 1.199 289 Y CA -1.563 56.675 58.100 0.231 0.000 1.206 289 Y CB 1.096 39.626 38.460 0.117 0.000 1.229 289 Y HN 0.745 nan 8.280 nan 0.000 0.480 290 F N 1.195 121.324 119.950 0.298 0.000 2.628 290 F HA 0.777 5.303 4.527 -0.001 0.000 0.309 290 F C -3.512 172.395 175.800 0.179 0.000 1.108 290 F CA -2.447 55.682 58.000 0.216 0.000 0.971 290 F CB 2.085 41.251 39.000 0.277 0.000 1.279 290 F HN 0.131 nan 8.300 nan 0.000 0.441 291 P HA 0.426 nan 4.420 nan 0.000 0.288 291 P C -1.285 175.933 177.300 -0.138 0.000 1.300 291 P CA -0.441 62.569 63.100 -0.150 0.000 0.910 291 P CB 2.529 34.165 31.700 -0.107 0.000 1.256 292 T N 2.463 116.952 114.554 -0.108 0.000 2.824 292 T HA 0.486 4.836 4.350 -0.001 0.000 0.280 292 T C -2.171 172.480 174.700 -0.081 0.000 0.995 292 T CA -1.341 60.772 62.100 0.022 0.000 1.009 292 T CB 1.196 70.145 68.868 0.135 0.000 0.955 292 T HN 0.412 nan 8.240 nan 0.000 0.452 293 P HA 0.592 nan 4.420 nan 0.000 0.310 293 P C -1.033 176.156 177.300 -0.184 0.000 1.309 293 P CA -0.735 62.276 63.100 -0.149 0.000 0.769 293 P CB 1.293 32.946 31.700 -0.079 0.000 1.327 294 S N -2.181 113.307 115.700 -0.353 0.000 2.590 294 S HA 0.476 4.946 4.470 -0.001 0.000 0.286 294 S C 0.240 174.653 174.600 -0.311 0.000 1.147 294 S CA -0.331 57.600 58.200 -0.449 0.000 0.963 294 S CB -0.095 62.435 63.200 -1.117 0.000 1.124 294 S HN 0.595 nan 8.310 nan 0.000 0.458 295 G N 1.889 110.661 108.800 -0.047 0.000 3.371 295 G HA2 0.383 4.342 3.960 -0.001 0.000 0.248 295 G HA3 0.383 4.342 3.960 -0.001 0.000 0.248 295 G C 0.826 175.798 174.900 0.120 0.000 1.161 295 G CA 0.788 45.923 45.100 0.060 0.000 0.796 295 G HN 1.515 nan 8.290 nan 0.000 0.539 296 S N -0.653 115.147 115.700 0.166 0.000 4.155 296 S HA -0.338 4.132 4.470 -0.001 0.000 0.542 296 S C 0.603 175.295 174.600 0.153 0.000 1.863 296 S CA 1.626 59.992 58.200 0.277 0.000 4.239 296 S CB -1.171 62.243 63.200 0.356 0.000 0.331 296 S HN 0.691 nan 8.310 nan 0.000 0.461 297 M N 1.988 121.658 119.600 0.116 0.000 2.528 297 M HA 0.638 5.117 4.480 -0.001 0.000 0.321 297 M C -1.015 175.322 176.300 0.061 0.000 1.153 297 M CA -0.641 54.706 55.300 0.078 0.000 0.951 297 M CB 1.826 34.462 32.600 0.060 0.000 1.705 297 M HN 0.656 nan 8.290 nan 0.000 0.451 298 V N 1.026 120.970 119.914 0.050 0.000 2.630 298 V HA 0.958 5.078 4.120 -0.001 0.000 0.305 298 V C -0.346 175.765 176.094 0.028 0.000 1.046 298 V CA -0.466 61.858 62.300 0.040 0.000 0.934 298 V CB 1.175 33.025 31.823 0.044 0.000 1.003 298 V HN 0.947 nan 8.190 nan 0.000 0.451 299 T N -0.854 113.712 114.554 0.019 0.000 2.942 299 T HA 0.355 4.705 4.350 -0.001 0.000 0.327 299 T C 0.640 175.343 174.700 0.004 0.000 1.360 299 T CA 0.159 62.266 62.100 0.012 0.000 1.055 299 T CB 1.584 70.457 68.868 0.009 0.000 1.261 299 T HN 0.573 nan 8.240 nan 0.000 0.485 300 S N 1.326 117.028 115.700 0.003 0.000 2.387 300 S HA -0.145 4.324 4.470 -0.001 0.000 0.230 300 S C 1.437 176.033 174.600 -0.007 0.000 1.035 300 S CA 1.827 60.027 58.200 -0.000 0.000 1.014 300 S CB -0.434 62.766 63.200 0.001 0.000 0.836 300 S HN 0.842 nan 8.310 nan 0.000 0.466 301 D N 1.643 122.039 120.400 -0.007 0.000 2.194 301 D HA 0.064 4.704 4.640 -0.001 0.000 0.204 301 D C 2.213 178.502 176.300 -0.018 0.000 0.964 301 D CA 0.967 54.961 54.000 -0.010 0.000 0.846 301 D CB -0.249 40.547 40.800 -0.007 0.000 0.962 301 D HN 0.434 nan 8.370 nan 0.000 0.490 302 A N 1.623 124.431 122.820 -0.021 0.000 1.851 302 A HA -0.171 4.149 4.320 -0.001 0.000 0.216 302 A C 1.079 178.623 177.584 -0.066 0.000 1.195 302 A CA 0.867 52.883 52.037 -0.034 0.000 0.622 302 A CB -0.606 18.382 19.000 -0.021 0.000 0.831 302 A HN 0.103 nan 8.150 nan 0.000 0.444 303 Q N -0.640 119.116 119.800 -0.073 0.000 3.389 303 Q HA -0.167 4.172 4.340 -0.001 0.000 0.348 303 Q C 0.555 176.459 176.000 -0.161 0.000 1.414 303 Q CA 0.965 56.695 55.803 -0.121 0.000 0.848 303 Q CB -0.045 28.661 28.738 -0.053 0.000 1.262 303 Q HN 0.731 nan 8.270 nan 0.000 0.561 304 I N 2.121 122.472 120.570 -0.366 0.000 3.939 304 I HA 0.070 4.240 4.170 -0.001 0.000 0.313 304 I C 0.155 176.171 176.117 -0.169 0.000 1.274 304 I CA 0.157 61.253 61.300 -0.340 0.000 1.301 304 I CB 0.449 38.122 38.000 -0.545 0.000 1.105 304 I HN 0.395 nan 8.210 nan 0.000 0.427 305 F N 1.110 121.146 119.950 0.143 0.000 2.321 305 F HA 0.308 4.835 4.527 -0.001 0.000 0.318 305 F C 1.294 177.080 175.800 -0.022 0.000 1.129 305 F CA -0.605 57.455 58.000 0.099 0.000 1.074 305 F CB 0.015 39.055 39.000 0.066 0.000 1.432 305 F HN -0.031 nan 8.300 nan 0.000 0.502 306 N N -0.710 118.071 118.700 0.135 0.000 2.753 306 N HA -0.225 4.515 4.740 -0.001 0.000 0.251 306 N C -1.509 173.931 175.510 -0.116 0.000 1.097 306 N CA 0.756 53.785 53.050 -0.036 0.000 0.786 306 N CB -1.030 37.456 38.487 -0.001 0.000 1.137 306 N HN 0.426 nan 8.380 nan 0.000 0.566 307 K N -0.104 120.167 120.400 -0.215 0.000 2.375 307 K HA 0.506 4.826 4.320 -0.001 0.000 0.249 307 K C -2.860 173.353 176.600 -0.645 0.000 0.942 307 K CA -1.953 54.168 56.287 -0.277 0.000 0.806 307 K CB 2.251 34.690 32.500 -0.102 0.000 1.227 307 K HN -0.186 nan 8.250 nan 0.000 0.430 308 P HA 0.044 nan 4.420 nan 0.000 0.276 308 P C -1.272 175.426 177.300 -1.003 0.000 1.243 308 P CA -0.006 62.574 63.100 -0.866 0.000 0.768 308 P CB 0.204 31.510 31.700 -0.656 0.000 0.856 309 Y N 1.768 121.623 120.300 -0.743 0.000 2.310 309 Y HA 0.365 4.915 4.550 -0.001 0.000 0.326 309 Y C 0.182 175.556 175.900 -0.876 0.000 1.151 309 Y CA -0.719 56.975 58.100 -0.677 0.000 1.195 309 Y CB 1.107 39.184 38.460 -0.638 0.000 1.210 309 Y HN 0.363 nan 8.280 nan 0.000 0.483 310 W N 4.586 125.893 121.300 0.012 0.000 2.424 310 W HA 0.507 5.167 4.660 -0.001 0.000 0.318 310 W C -1.067 175.432 176.519 -0.033 0.000 1.016 310 W CA -0.969 56.366 57.345 -0.017 0.000 1.268 310 W CB 1.133 30.615 29.460 0.036 0.000 1.297 310 W HN 0.347 nan 8.180 nan 0.000 0.428 311 L N 2.365 123.642 121.223 0.090 0.000 2.512 311 L HA 0.325 4.665 4.340 -0.001 0.000 0.247 311 L C 1.581 178.518 176.870 0.113 0.000 1.204 311 L CA -0.539 54.337 54.840 0.059 0.000 1.153 311 L CB -0.019 42.002 42.059 -0.064 0.000 1.415 311 L HN 0.614 nan 8.230 nan 0.000 0.406 312 Q N 0.999 120.901 119.800 0.169 0.000 2.030 312 Q HA -0.097 4.242 4.340 -0.001 0.000 0.204 312 Q C 0.220 176.277 176.000 0.094 0.000 0.986 312 Q CA 1.084 56.967 55.803 0.133 0.000 0.843 312 Q CB -0.178 28.634 28.738 0.123 0.000 0.904 312 Q HN 0.587 nan 8.270 nan 0.000 0.420 313 R N -0.001 120.562 120.500 0.106 0.000 2.670 313 R HA 0.672 5.012 4.340 -0.001 0.000 0.289 313 R C -1.267 175.107 176.300 0.123 0.000 0.965 313 R CA 0.154 56.309 56.100 0.091 0.000 0.899 313 R CB 2.142 32.492 30.300 0.083 0.000 1.173 313 R HN 0.400 nan 8.270 nan 0.000 0.456 314 A N 1.427 124.317 122.820 0.116 0.000 2.269 314 A HA 0.295 4.614 4.320 -0.001 0.000 0.319 314 A C 0.543 178.242 177.584 0.192 0.000 1.110 314 A CA -0.536 51.611 52.037 0.183 0.000 0.847 314 A CB 0.967 20.065 19.000 0.163 0.000 1.161 314 A HN 0.843 nan 8.150 nan 0.000 0.497 315 Q N 0.844 120.796 119.800 0.253 0.000 2.033 315 Q HA 0.237 4.577 4.340 -0.001 0.000 0.196 315 Q C 1.030 177.115 176.000 0.141 0.000 0.970 315 Q CA 1.332 57.253 55.803 0.197 0.000 0.828 315 Q CB -0.869 28.019 28.738 0.251 0.000 0.895 315 Q HN 0.770 nan 8.270 nan 0.000 0.440 316 G N -0.846 108.068 108.800 0.190 0.000 2.510 316 G HA2 0.203 4.163 3.960 -0.001 0.000 0.280 316 G HA3 0.203 4.163 3.960 -0.001 0.000 0.280 316 G C -0.271 174.700 174.900 0.119 0.000 1.386 316 G CA -0.027 45.159 45.100 0.142 0.000 1.047 316 G HN 0.409 nan 8.290 nan 0.000 0.527 317 H N -0.793 118.413 119.070 0.227 0.000 2.353 317 H HA -0.032 4.524 4.556 -0.001 0.000 0.300 317 H C 1.315 176.812 175.328 0.282 0.000 1.090 317 H CA 1.112 57.306 56.048 0.243 0.000 1.327 317 H CB 0.128 30.049 29.762 0.265 0.000 1.383 317 H HN 0.267 nan 8.280 nan 0.000 0.508 318 N N 1.785 120.772 118.700 0.478 0.000 2.405 318 N HA -0.088 4.652 4.740 -0.001 0.000 0.260 318 N C -0.758 174.922 175.510 0.283 0.000 1.152 318 N CA 0.046 53.364 53.050 0.446 0.000 0.948 318 N CB 0.054 38.904 38.487 0.605 0.000 1.111 318 N HN 0.231 nan 8.380 nan 0.000 0.485 319 N N 2.665 121.424 118.700 0.099 0.000 2.968 319 N HA 0.097 4.836 4.740 -0.001 0.000 0.271 319 N C 0.450 175.802 175.510 -0.263 0.000 1.174 319 N CA 0.134 53.156 53.050 -0.046 0.000 1.096 319 N CB -0.366 38.108 38.487 -0.022 0.000 1.403 319 N HN 0.756 nan 8.380 nan 0.000 0.522 320 G N 2.573 110.956 108.800 -0.695 0.000 2.421 320 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.300 320 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.300 320 G C 0.249 174.890 174.900 -0.431 0.000 0.974 320 G CA -0.089 44.366 45.100 -1.076 0.000 1.062 320 G HN 0.503 nan 8.290 nan 0.000 0.514 321 I N 0.224 120.611 120.570 -0.306 0.000 2.322 321 I HA 0.132 4.302 4.170 -0.001 0.000 0.292 321 I C 0.898 176.801 176.117 -0.357 0.000 1.060 321 I CA -0.803 60.250 61.300 -0.412 0.000 1.309 321 I CB 0.617 38.133 38.000 -0.807 0.000 1.415 321 I HN 0.173 nan 8.210 nan 0.000 0.492 322 C N 6.116 125.313 119.300 -0.172 0.000 2.262 322 C HA 0.216 4.676 4.460 -0.001 0.000 0.413 322 C C 0.386 175.378 174.990 0.003 0.000 1.019 322 C CA -1.234 57.790 59.018 0.010 0.000 1.320 322 C CB -2.224 25.561 27.740 0.075 0.000 1.657 322 C HN 0.629 nan 8.230 nan 0.000 0.510 323 W N 1.803 123.200 121.300 0.161 0.000 2.314 323 W HA 0.184 4.844 4.660 -0.001 0.000 0.339 323 W C 1.289 177.831 176.519 0.039 0.000 1.293 323 W CA 0.796 58.190 57.345 0.083 0.000 1.288 323 W CB -0.000 29.482 29.460 0.036 0.000 1.186 323 W HN 0.789 nan 8.180 nan 0.000 0.566 324 S N 2.278 118.133 115.700 0.258 0.000 3.695 324 S HA -0.275 4.195 4.470 -0.001 0.000 0.310 324 S C -0.029 174.635 174.600 0.106 0.000 1.166 324 S CA 0.638 58.909 58.200 0.117 0.000 0.882 324 S CB -1.873 61.383 63.200 0.093 0.000 0.949 324 S HN 0.757 nan 8.310 nan 0.000 0.540 325 N N 0.553 119.320 118.700 0.113 0.000 2.686 325 N HA -0.194 4.546 4.740 -0.001 0.000 0.261 325 N C -0.263 175.229 175.510 -0.030 0.000 1.001 325 N CA 1.576 54.648 53.050 0.037 0.000 0.764 325 N CB -0.607 37.891 38.487 0.017 0.000 0.898 325 N HN 0.848 nan 8.380 nan 0.000 0.544 326 Q N -0.576 119.225 119.800 0.003 0.000 2.482 326 Q HA 0.708 5.048 4.340 -0.001 0.000 0.286 326 Q C -1.192 174.818 176.000 0.018 0.000 1.007 326 Q CA -0.642 55.152 55.803 -0.016 0.000 0.801 326 Q CB 2.391 31.176 28.738 0.079 0.000 1.455 326 Q HN 0.241 nan 8.270 nan 0.000 0.398 327 L N 1.470 122.613 121.223 -0.133 0.000 2.582 327 L HA 0.549 4.889 4.340 -0.001 0.000 0.257 327 L C -1.783 174.859 176.870 -0.380 0.000 0.974 327 L CA -0.566 54.246 54.840 -0.047 0.000 0.851 327 L CB 2.093 44.123 42.059 -0.048 0.000 1.424 327 L HN 0.629 nan 8.230 nan 0.000 0.412 328 F N 1.480 121.428 119.950 -0.004 0.000 2.539 328 F HA 0.538 5.064 4.527 -0.000 0.000 0.318 328 F C -0.211 175.613 175.800 0.041 0.000 1.135 328 F CA -0.627 57.336 58.000 -0.062 0.000 0.915 328 F CB 2.194 41.086 39.000 -0.179 0.000 1.176 328 F HN -0.105 nan 8.300 nan 0.000 0.440 329 V N 2.961 122.980 119.914 0.175 0.000 2.340 329 V HA 0.317 4.437 4.120 -0.001 0.000 0.277 329 V C -0.438 175.812 176.094 0.261 0.000 1.017 329 V CA -0.659 61.806 62.300 0.274 0.000 0.820 329 V CB 1.302 33.318 31.823 0.322 0.000 1.028 329 V HN 0.774 nan 8.190 nan 0.000 0.436 330 T N 3.975 118.649 114.554 0.200 0.000 2.806 330 T HA 0.636 4.985 4.350 -0.001 0.000 0.290 330 T C -0.261 174.546 174.700 0.179 0.000 0.966 330 T CA -0.371 61.818 62.100 0.148 0.000 1.060 330 T CB 1.760 70.702 68.868 0.123 0.000 0.927 330 T HN 0.298 nan 8.240 nan 0.000 0.485 331 V N 3.921 123.911 119.914 0.127 0.000 2.612 331 V HA 0.397 4.517 4.120 -0.001 0.000 0.301 331 V C -0.660 175.479 176.094 0.075 0.000 1.059 331 V CA -0.733 61.643 62.300 0.128 0.000 0.886 331 V CB 2.199 34.079 31.823 0.094 0.000 1.007 331 V HN 0.735 nan 8.190 nan 0.000 0.426 332 V N 3.779 123.755 119.914 0.103 0.000 2.495 332 V HA 0.634 4.754 4.120 -0.001 0.000 0.298 332 V C -0.882 175.350 176.094 0.229 0.000 1.031 332 V CA -0.365 61.944 62.300 0.015 0.000 0.871 332 V CB 2.058 33.736 31.823 -0.242 0.000 0.988 332 V HN 0.946 nan 8.190 nan 0.000 0.432 333 D N 2.393 122.932 120.400 0.232 0.000 2.330 333 D HA 0.217 4.857 4.640 -0.001 0.000 0.249 333 D C 0.811 177.247 176.300 0.228 0.000 1.306 333 D CA -0.089 54.101 54.000 0.317 0.000 0.956 333 D CB 1.548 42.618 40.800 0.450 0.000 1.261 333 D HN 0.574 nan 8.370 nan 0.000 0.544 334 T N -0.795 113.869 114.554 0.183 0.000 3.148 334 T HA -0.040 4.309 4.350 -0.001 0.000 0.253 334 T C 1.780 176.567 174.700 0.146 0.000 1.134 334 T CA 0.854 63.057 62.100 0.171 0.000 1.051 334 T CB -0.141 68.824 68.868 0.162 0.000 0.959 334 T HN 0.370 nan 8.240 nan 0.000 0.525 335 T N 1.190 115.828 114.554 0.139 0.000 2.821 335 T HA -0.057 4.292 4.350 -0.001 0.000 0.267 335 T C 1.555 176.313 174.700 0.098 0.000 1.046 335 T CA 0.319 62.482 62.100 0.105 0.000 1.139 335 T CB -0.368 68.555 68.868 0.092 0.000 0.871 335 T HN 0.484 nan 8.240 nan 0.000 0.454 336 R N 1.864 122.440 120.500 0.126 0.000 3.039 336 R HA 0.319 4.658 4.340 -0.001 0.000 0.336 336 R C 1.123 177.518 176.300 0.158 0.000 1.258 336 R CA 0.225 56.394 56.100 0.116 0.000 1.125 336 R CB 0.164 30.529 30.300 0.109 0.000 1.427 336 R HN 0.523 nan 8.270 nan 0.000 0.588 337 S N -0.824 114.957 115.700 0.134 0.000 2.710 337 S HA -0.023 4.447 4.470 -0.001 0.000 0.224 337 S C 0.718 175.218 174.600 -0.166 0.000 0.948 337 S CA -0.571 57.734 58.200 0.174 0.000 0.949 337 S CB -0.223 63.102 63.200 0.210 0.000 0.778 337 S HN 0.200 nan 8.310 nan 0.000 0.498 338 T N 2.527 116.953 114.554 -0.213 0.000 2.902 338 T HA 0.171 4.521 4.350 -0.001 0.000 0.301 338 T C -0.265 174.150 174.700 -0.475 0.000 1.012 338 T CA -0.344 61.603 62.100 -0.254 0.000 1.151 338 T CB -0.127 68.656 68.868 -0.142 0.000 0.946 338 T HN 0.442 nan 8.240 nan 0.000 0.542 339 N N 3.059 121.554 118.700 -0.341 0.000 2.476 339 N HA 0.374 5.114 4.740 -0.001 0.000 0.257 339 N C 0.154 175.542 175.510 -0.205 0.000 0.970 339 N CA -0.720 52.128 53.050 -0.338 0.000 0.938 339 N CB 1.050 39.355 38.487 -0.303 0.000 1.144 339 N HN 0.681 nan 8.380 nan 0.000 0.500 340 M N 0.222 119.728 119.600 -0.156 0.000 2.249 340 M HA 0.459 4.939 4.480 -0.001 0.000 0.351 340 M C -0.421 175.832 176.300 -0.078 0.000 1.180 340 M CA -0.471 54.774 55.300 -0.092 0.000 1.127 340 M CB 1.068 33.634 32.600 -0.057 0.000 1.546 340 M HN 0.299 nan 8.290 nan 0.000 0.461 341 S N 2.433 118.104 115.700 -0.049 0.000 2.489 341 S HA 0.707 5.176 4.470 -0.001 0.000 0.291 341 S C -0.154 174.459 174.600 0.022 0.000 1.151 341 S CA -0.856 57.332 58.200 -0.020 0.000 1.082 341 S CB 1.594 64.784 63.200 -0.017 0.000 1.019 341 S HN 0.860 nan 8.310 nan 0.000 0.492 342 V N -0.049 119.908 119.914 0.071 0.000 2.448 342 V HA 0.729 4.849 4.120 -0.001 0.000 0.295 342 V C -0.115 176.092 176.094 0.187 0.000 1.025 342 V CA -0.936 61.422 62.300 0.097 0.000 0.859 342 V CB 0.311 32.171 31.823 0.061 0.000 0.988 342 V HN 1.145 nan 8.190 nan 0.000 0.431 343 C N 4.608 124.005 119.300 0.163 0.000 2.382 343 C HA 0.863 5.322 4.460 -0.001 0.000 0.327 343 C C 0.313 175.451 174.990 0.246 0.000 1.250 343 C CA 0.310 59.462 59.018 0.222 0.000 1.707 343 C CB 0.962 28.797 27.740 0.159 0.000 2.272 343 C HN 1.215 nan 8.230 nan 0.000 0.506 344 S N 2.714 118.598 115.700 0.307 0.000 2.568 344 S HA 0.884 5.354 4.470 -0.001 0.000 0.293 344 S C -0.590 174.141 174.600 0.217 0.000 1.089 344 S CA -0.181 58.156 58.200 0.227 0.000 0.945 344 S CB 1.626 64.928 63.200 0.171 0.000 1.077 344 S HN 1.387 nan 8.310 nan 0.000 0.485 345 A N 2.400 125.277 122.820 0.095 0.000 2.355 345 A HA 0.664 4.984 4.320 -0.001 0.000 0.324 345 A C 0.729 178.232 177.584 -0.135 0.000 1.117 345 A CA -0.632 51.335 52.037 -0.116 0.000 0.785 345 A CB 1.103 20.024 19.000 -0.130 0.000 1.254 345 A HN 0.746 nan 8.150 nan 0.000 0.453 346 V N 1.157 120.932 119.914 -0.232 0.000 2.488 346 V HA 0.017 4.137 4.120 -0.001 0.000 0.246 346 V C 0.948 176.960 176.094 -0.136 0.000 1.046 346 V CA 1.960 64.171 62.300 -0.147 0.000 1.053 346 V CB -0.480 31.253 31.823 -0.150 0.000 0.679 346 V HN 1.097 nan 8.190 nan 0.000 0.458 347 S N -1.123 114.463 115.700 -0.189 0.000 2.652 347 S HA 0.230 4.700 4.470 -0.001 0.000 0.273 347 S C 0.206 174.726 174.600 -0.134 0.000 1.172 347 S CA 0.080 58.203 58.200 -0.127 0.000 1.009 347 S CB 1.480 64.616 63.200 -0.106 0.000 1.094 347 S HN 0.327 nan 8.310 nan 0.000 0.471 348 S N 1.702 117.357 115.700 -0.075 0.000 2.720 348 S HA 0.000 4.470 4.470 -0.001 0.000 0.222 348 S C 1.505 176.095 174.600 -0.017 0.000 0.958 348 S CA 0.261 58.441 58.200 -0.034 0.000 0.943 348 S CB -0.781 62.422 63.200 0.005 0.000 0.779 348 S HN 1.086 nan 8.310 nan 0.000 0.526 349 S N 1.098 116.777 115.700 -0.035 0.000 2.453 349 S HA -0.002 4.468 4.470 -0.001 0.000 0.231 349 S C 0.406 174.998 174.600 -0.014 0.000 1.005 349 S CA -0.060 58.127 58.200 -0.021 0.000 0.949 349 S CB -0.391 62.792 63.200 -0.028 0.000 0.774 349 S HN 0.555 nan 8.310 nan 0.000 0.510 350 D N 1.939 122.324 120.400 -0.025 0.000 2.354 350 D HA 0.324 4.963 4.640 -0.001 0.000 0.247 350 D C 0.582 176.901 176.300 0.033 0.000 1.138 350 D CA 0.281 54.276 54.000 -0.008 0.000 0.958 350 D CB 1.381 42.159 40.800 -0.037 0.000 1.144 350 D HN 0.444 nan 8.370 nan 0.000 0.458 351 S N -1.696 114.032 115.700 0.046 0.000 2.787 351 S HA 0.126 4.595 4.470 -0.001 0.000 0.255 351 S C 0.193 174.846 174.600 0.089 0.000 1.051 351 S CA -0.399 57.841 58.200 0.067 0.000 1.124 351 S CB 0.449 63.678 63.200 0.047 0.000 1.104 351 S HN 0.321 nan 8.310 nan 0.000 0.623 352 T N 2.315 116.925 114.554 0.094 0.000 2.824 352 T HA 0.423 4.772 4.350 -0.001 0.000 0.282 352 T C -1.228 173.572 174.700 0.168 0.000 0.993 352 T CA -0.427 61.748 62.100 0.124 0.000 0.967 352 T CB 1.022 69.942 68.868 0.088 0.000 0.960 352 T HN 0.311 nan 8.240 nan 0.000 0.441 353 Y N 3.777 124.148 120.300 0.118 0.000 2.721 353 Y HA 0.207 4.757 4.550 -0.001 0.000 0.329 353 Y C 0.266 176.279 175.900 0.190 0.000 1.211 353 Y CA 0.459 58.667 58.100 0.180 0.000 1.512 353 Y CB 0.165 38.669 38.460 0.072 0.000 1.249 353 Y HN 0.439 nan 8.280 nan 0.000 0.549 354 K N 5.154 125.327 120.400 -0.379 0.000 2.553 354 K HA 0.195 4.515 4.320 -0.001 0.000 0.250 354 K C 0.074 176.495 176.600 -0.297 0.000 0.953 354 K CA -0.781 55.373 56.287 -0.222 0.000 0.800 354 K CB 1.729 34.165 32.500 -0.107 0.000 1.243 354 K HN 0.629 nan 8.250 nan 0.000 0.435 355 N N 1.478 120.088 118.700 -0.150 0.000 2.061 355 N HA -0.216 4.524 4.740 -0.001 0.000 0.193 355 N C 0.760 176.291 175.510 0.034 0.000 1.030 355 N CA 1.542 54.603 53.050 0.018 0.000 0.856 355 N CB 0.035 38.588 38.487 0.111 0.000 1.023 355 N HN 0.560 nan 8.380 nan 0.000 0.424 356 D N 0.258 120.645 120.400 -0.022 0.000 2.203 356 D HA -0.188 4.452 4.640 -0.001 0.000 0.199 356 D C 1.099 177.328 176.300 -0.118 0.000 0.997 356 D CA 1.044 55.015 54.000 -0.049 0.000 0.863 356 D CB -0.424 40.343 40.800 -0.055 0.000 0.928 356 D HN 0.319 nan 8.370 nan 0.000 0.458 357 N N -0.965 117.589 118.700 -0.244 0.000 2.521 357 N HA -0.038 4.701 4.740 -0.001 0.000 0.188 357 N C -0.851 174.165 175.510 -0.823 0.000 1.146 357 N CA 0.142 52.879 53.050 -0.522 0.000 0.893 357 N CB 0.105 38.187 38.487 -0.675 0.000 0.975 357 N HN -0.067 nan 8.380 nan 0.000 0.451 358 F N -0.277 119.616 119.950 -0.094 0.000 2.540 358 F HA 0.449 4.976 4.527 -0.001 0.000 0.317 358 F C -0.088 175.710 175.800 -0.003 0.000 1.104 358 F CA -1.030 56.952 58.000 -0.031 0.000 0.913 358 F CB 1.842 40.827 39.000 -0.025 0.000 1.170 358 F HN -0.374 nan 8.300 nan 0.000 0.450 359 K N 3.042 123.572 120.400 0.216 0.000 2.464 359 K HA 0.267 4.587 4.320 -0.001 0.000 0.252 359 K C -0.645 176.009 176.600 0.089 0.000 1.000 359 K CA -0.669 55.683 56.287 0.107 0.000 0.951 359 K CB 1.177 33.769 32.500 0.152 0.000 1.183 359 K HN 0.516 nan 8.250 nan 0.000 0.445 360 E N 2.061 122.250 120.200 -0.018 0.000 2.366 360 E HA 0.140 4.490 4.350 -0.001 0.000 0.266 360 E C -0.679 175.773 176.600 -0.247 0.000 1.051 360 E CA 0.080 56.479 56.400 -0.002 0.000 0.884 360 E CB 0.825 30.531 29.700 0.010 0.000 1.006 360 E HN 0.338 nan 8.360 nan 0.000 0.417 361 Y N 0.229 120.549 120.300 0.032 0.000 2.457 361 Y HA 0.304 4.854 4.550 -0.001 0.000 0.343 361 Y C -0.068 175.781 175.900 -0.085 0.000 0.994 361 Y CA -0.661 57.445 58.100 0.009 0.000 1.031 361 Y CB 1.522 39.995 38.460 0.023 0.000 1.246 361 Y HN 0.257 nan 8.280 nan 0.000 0.449 362 L N 5.132 126.300 121.223 -0.092 0.000 2.276 362 L HA 0.563 4.903 4.340 -0.001 0.000 0.286 362 L C -0.358 176.302 176.870 -0.349 0.000 1.061 362 L CA -0.559 54.076 54.840 -0.340 0.000 0.807 362 L CB 0.544 42.164 42.059 -0.731 0.000 1.177 362 L HN 0.560 nan 8.230 nan 0.000 0.429 363 R N 1.841 122.222 120.500 -0.199 0.000 2.744 363 R HA 0.425 4.764 4.340 -0.001 0.000 0.279 363 R C -1.313 174.953 176.300 -0.057 0.000 0.977 363 R CA -0.880 55.148 56.100 -0.121 0.000 0.906 363 R CB 2.173 32.450 30.300 -0.039 0.000 1.197 363 R HN 0.618 nan 8.270 nan 0.000 0.463 364 H N -0.248 118.768 119.070 -0.089 0.000 2.906 364 H HA 0.502 5.057 4.556 -0.001 0.000 0.324 364 H C -0.590 174.748 175.328 0.016 0.000 0.973 364 H CA -0.581 55.441 56.048 -0.043 0.000 1.321 364 H CB 1.499 31.233 29.762 -0.046 0.000 1.535 364 H HN 0.792 nan 8.280 nan 0.000 0.518 365 G N 3.552 112.561 108.800 0.349 0.000 2.356 365 G HA2 0.307 4.266 3.960 -0.001 0.000 0.322 365 G HA3 0.307 4.266 3.960 -0.001 0.000 0.322 365 G C -0.810 174.230 174.900 0.233 0.000 1.125 365 G CA -0.460 44.776 45.100 0.226 0.000 0.885 365 G HN 0.546 nan 8.290 nan 0.000 0.467 366 E N -0.021 120.289 120.200 0.183 0.000 2.212 366 E HA 0.531 4.881 4.350 -0.001 0.000 0.270 366 E C -0.587 176.116 176.600 0.171 0.000 0.956 366 E CA -0.622 55.888 56.400 0.184 0.000 0.825 366 E CB 1.788 31.670 29.700 0.303 0.000 1.167 366 E HN 0.578 nan 8.360 nan 0.000 0.400 367 E N 2.236 122.427 120.200 -0.016 0.000 2.290 367 E HA 0.356 4.706 4.350 -0.001 0.000 0.274 367 E C -1.524 174.871 176.600 -0.342 0.000 0.889 367 E CA -0.537 55.842 56.400 -0.036 0.000 0.760 367 E CB 0.910 30.589 29.700 -0.036 0.000 1.206 367 E HN 0.432 nan 8.360 nan 0.000 0.419 368 Y N 1.312 121.564 120.300 -0.080 0.000 2.605 368 Y HA 0.461 5.011 4.550 -0.001 0.000 0.343 368 Y C -0.885 174.886 175.900 -0.216 0.000 1.036 368 Y CA -0.757 57.216 58.100 -0.212 0.000 1.065 368 Y CB 2.375 40.598 38.460 -0.396 0.000 1.288 368 Y HN 0.566 nan 8.280 nan 0.000 0.481 369 D N 1.119 121.438 120.400 -0.135 0.000 2.763 369 D HA 0.473 5.112 4.640 -0.001 0.000 0.235 369 D C -1.951 174.207 176.300 -0.237 0.000 1.334 369 D CA -0.198 53.711 54.000 -0.152 0.000 0.950 369 D CB 0.972 41.692 40.800 -0.133 0.000 1.433 369 D HN 0.439 nan 8.370 nan 0.000 0.580 370 L N 3.051 124.126 121.223 -0.248 0.000 2.307 370 L HA 0.570 4.910 4.340 -0.001 0.000 0.284 370 L C 0.122 176.690 176.870 -0.504 0.000 1.023 370 L CA -0.616 54.023 54.840 -0.335 0.000 0.810 370 L CB 1.710 43.709 42.059 -0.099 0.000 1.231 370 L HN 0.331 nan 8.230 nan 0.000 0.423 371 Q N 2.582 121.772 119.800 -1.016 0.000 2.394 371 Q HA 0.714 5.053 4.340 -0.001 0.000 0.273 371 Q C -1.653 173.337 176.000 -1.682 0.000 1.089 371 Q CA -0.675 54.559 55.803 -0.948 0.000 0.812 371 Q CB 3.067 31.492 28.738 -0.522 0.000 1.353 371 Q HN 0.363 nan 8.270 nan 0.000 0.438 372 F N 0.519 120.082 119.950 -0.645 0.000 2.645 372 F HA 0.602 5.128 4.527 -0.001 0.000 0.310 372 F C -0.751 174.428 175.800 -1.035 0.000 1.102 372 F CA -0.736 56.747 58.000 -0.863 0.000 0.952 372 F CB 1.488 39.843 39.000 -1.074 0.000 1.326 372 F HN 0.292 nan 8.300 nan 0.000 0.456 373 I N 2.166 122.195 120.570 -0.902 0.000 2.500 373 I HA 0.385 4.555 4.170 -0.001 0.000 0.286 373 I C -1.483 174.209 176.117 -0.710 0.000 1.063 373 I CA -0.260 60.620 61.300 -0.701 0.000 1.062 373 I CB 1.426 39.150 38.000 -0.460 0.000 1.223 373 I HN 0.332 nan 8.210 nan 0.000 0.435 374 F N 4.055 123.838 119.950 -0.278 0.000 2.492 374 F HA 0.530 5.056 4.527 -0.001 0.000 0.327 374 F C 0.328 176.117 175.800 -0.019 0.000 1.079 374 F CA -0.678 57.230 58.000 -0.152 0.000 0.967 374 F CB 1.312 40.157 39.000 -0.258 0.000 1.169 374 F HN 0.347 nan 8.300 nan 0.000 0.472 375 Q N 2.171 122.075 119.800 0.173 0.000 2.257 375 Q HA 0.447 4.786 4.340 -0.001 0.000 0.255 375 Q C -1.245 174.794 176.000 0.065 0.000 0.920 375 Q CA -1.137 54.544 55.803 -0.203 0.000 0.927 375 Q CB 1.647 30.155 28.738 -0.382 0.000 1.229 375 Q HN 0.652 nan 8.270 nan 0.000 0.433 376 L N 3.994 125.165 121.223 -0.087 0.000 2.331 376 L HA 0.327 4.667 4.340 -0.001 0.000 0.278 376 L C -1.414 175.263 176.870 -0.321 0.000 1.106 376 L CA 0.219 54.859 54.840 -0.332 0.000 0.824 376 L CB 0.688 42.433 42.059 -0.523 0.000 1.142 376 L HN 0.755 nan 8.230 nan 0.000 0.443 377 C N 4.748 123.842 119.300 -0.345 0.000 2.547 377 C HA 0.578 5.038 4.460 -0.001 0.000 0.313 377 C C -0.514 174.316 174.990 -0.267 0.000 1.191 377 C CA -1.167 57.701 59.018 -0.250 0.000 1.474 377 C CB 1.811 29.436 27.740 -0.193 0.000 2.081 377 C HN 0.866 nan 8.230 nan 0.000 0.476 378 K N 2.700 122.989 120.400 -0.185 0.000 2.159 378 K HA 0.846 5.165 4.320 -0.001 0.000 0.266 378 K C -1.280 175.310 176.600 -0.016 0.000 0.975 378 K CA -0.269 55.945 56.287 -0.122 0.000 0.865 378 K CB 1.076 33.540 32.500 -0.060 0.000 1.087 378 K HN 0.676 nan 8.250 nan 0.000 0.446 379 I N 2.366 122.935 120.570 -0.001 0.000 2.406 379 I HA 0.144 4.314 4.170 -0.001 0.000 0.290 379 I C -0.453 175.713 176.117 0.083 0.000 0.999 379 I CA -1.044 60.315 61.300 0.098 0.000 1.124 379 I CB 2.214 40.350 38.000 0.226 0.000 1.289 379 I HN 0.645 nan 8.210 nan 0.000 0.441 380 T N 7.347 121.970 114.554 0.115 0.000 2.863 380 T HA 0.313 4.663 4.350 -0.001 0.000 0.299 380 T C 0.463 175.222 174.700 0.099 0.000 0.973 380 T CA -0.389 61.762 62.100 0.085 0.000 0.994 380 T CB -0.318 68.593 68.868 0.072 0.000 0.961 380 T HN 0.304 nan 8.240 nan 0.000 0.552 381 L N 5.206 126.480 121.223 0.084 0.000 2.737 381 L HA 0.104 4.444 4.340 -0.001 0.000 0.288 381 L C 1.545 178.462 176.870 0.079 0.000 1.185 381 L CA -0.285 54.621 54.840 0.110 0.000 1.127 381 L CB -1.101 41.020 42.059 0.104 0.000 1.432 381 L HN 0.672 nan 8.230 nan 0.000 0.449 382 T N -1.463 113.138 114.554 0.079 0.000 2.893 382 T HA 0.593 4.943 4.350 -0.001 0.000 0.279 382 T C 1.278 176.009 174.700 0.052 0.000 0.991 382 T CA -0.187 61.946 62.100 0.056 0.000 0.950 382 T CB 1.617 70.516 68.868 0.051 0.000 1.223 382 T HN 0.300 nan 8.240 nan 0.000 0.585 383 A N 0.787 123.629 122.820 0.037 0.000 1.851 383 A HA -0.103 4.217 4.320 -0.001 0.000 0.216 383 A C 1.853 179.456 177.584 0.031 0.000 1.195 383 A CA 2.318 54.372 52.037 0.027 0.000 0.622 383 A CB -1.578 17.433 19.000 0.019 0.000 0.831 383 A HN 0.946 nan 8.150 nan 0.000 0.444 384 D N -0.501 119.919 120.400 0.033 0.000 2.084 384 D HA -0.084 4.556 4.640 -0.001 0.000 0.194 384 D C 1.961 178.286 176.300 0.042 0.000 0.990 384 D CA 1.613 55.633 54.000 0.033 0.000 0.826 384 D CB -0.336 40.478 40.800 0.024 0.000 0.971 384 D HN 0.201 nan 8.370 nan 0.000 0.453 385 V N 0.833 120.771 119.914 0.040 0.000 2.233 385 V HA -0.331 3.789 4.120 -0.001 0.000 0.247 385 V C 2.415 178.550 176.094 0.068 0.000 1.050 385 V CA 1.739 64.060 62.300 0.034 0.000 1.010 385 V CB -0.612 31.268 31.823 0.096 0.000 0.637 385 V HN 0.259 nan 8.190 nan 0.000 0.444 386 M N 0.091 119.741 119.600 0.083 0.000 2.108 386 M HA -0.232 4.247 4.480 -0.001 0.000 0.257 386 M C 2.257 178.599 176.300 0.071 0.000 1.071 386 M CA 2.543 57.895 55.300 0.087 0.000 1.093 386 M CB -1.062 31.587 32.600 0.083 0.000 1.345 386 M HN 0.505 nan 8.290 nan 0.000 0.403 387 T N -0.626 113.960 114.554 0.053 0.000 2.746 387 T HA -0.211 4.139 4.350 -0.001 0.000 0.267 387 T C 1.530 176.263 174.700 0.055 0.000 1.039 387 T CA 1.440 63.563 62.100 0.038 0.000 1.142 387 T CB -0.631 68.247 68.868 0.017 0.000 0.866 387 T HN 0.372 nan 8.240 nan 0.000 0.444 388 Y N 1.810 122.075 120.300 -0.058 0.000 2.097 388 Y HA -0.140 4.409 4.550 -0.001 0.000 0.282 388 Y C 2.080 177.886 175.900 -0.158 0.000 1.152 388 Y CA 1.063 59.097 58.100 -0.110 0.000 1.136 388 Y CB -0.500 37.824 38.460 -0.226 0.000 0.975 388 Y HN 0.162 nan 8.280 nan 0.000 0.498 389 I N -0.899 119.593 120.570 -0.130 0.000 2.394 389 I HA -0.319 3.851 4.170 -0.001 0.000 0.251 389 I C 2.558 178.490 176.117 -0.308 0.000 1.136 389 I CA 1.411 62.538 61.300 -0.288 0.000 1.425 389 I CB -0.657 37.233 38.000 -0.182 0.000 1.079 389 I HN 0.389 nan 8.210 nan 0.000 0.425 390 H N 1.341 120.276 119.070 -0.225 0.000 2.270 390 H HA -0.142 4.413 4.556 -0.001 0.000 0.299 390 H C 2.369 177.556 175.328 -0.235 0.000 1.077 390 H CA 2.181 58.108 56.048 -0.201 0.000 1.294 390 H CB 0.173 29.862 29.762 -0.122 0.000 1.371 390 H HN 0.218 nan 8.280 nan 0.000 0.491 391 S N 1.061 116.717 115.700 -0.073 0.000 2.383 391 S HA -0.184 4.286 4.470 -0.001 0.000 0.229 391 S C 2.347 176.798 174.600 -0.250 0.000 1.030 391 S CA 1.355 59.495 58.200 -0.101 0.000 1.002 391 S CB -0.293 62.872 63.200 -0.058 0.000 0.829 391 S HN 0.431 nan 8.310 nan 0.000 0.467 392 M N 1.163 120.486 119.600 -0.461 0.000 2.066 392 M HA -0.054 4.426 4.480 -0.001 0.000 0.259 392 M C 0.483 176.367 176.300 -0.695 0.000 1.074 392 M CA 1.570 56.364 55.300 -0.843 0.000 1.114 392 M CB -0.075 31.836 32.600 -1.149 0.000 1.306 392 M HN 0.302 nan 8.290 nan 0.000 0.411 393 N N -1.042 117.283 118.700 -0.626 0.000 2.503 393 N HA 0.218 4.958 4.740 -0.001 0.000 0.287 393 N C -2.482 172.717 175.510 -0.519 0.000 1.096 393 N CA -1.280 51.460 53.050 -0.516 0.000 0.936 393 N CB 2.159 40.335 38.487 -0.518 0.000 1.570 393 N HN -0.048 nan 8.380 nan 0.000 0.504 394 P HA -0.074 nan 4.420 nan 0.000 0.215 394 P C 1.120 178.197 177.300 -0.371 0.000 1.157 394 P CA 0.986 63.770 63.100 -0.526 0.000 0.856 394 P CB 0.340 31.722 31.700 -0.529 0.000 0.786 395 S N 1.221 116.735 115.700 -0.311 0.000 2.390 395 S HA -0.224 4.246 4.470 -0.001 0.000 0.234 395 S C 2.072 176.454 174.600 -0.363 0.000 1.063 395 S CA 1.840 59.881 58.200 -0.265 0.000 1.108 395 S CB -1.431 61.642 63.200 -0.212 0.000 0.975 395 S HN 0.172 nan 8.310 nan 0.000 0.442 396 I N 0.983 121.267 120.570 -0.476 0.000 2.181 396 I HA -0.272 3.898 4.170 -0.001 0.000 0.247 396 I C 2.217 177.751 176.117 -0.972 0.000 1.081 396 I CA 1.439 62.289 61.300 -0.750 0.000 1.340 396 I CB -0.523 36.992 38.000 -0.810 0.000 1.036 396 I HN 0.239 nan 8.210 nan 0.000 0.417 397 L N 0.039 120.948 121.223 -0.524 0.000 2.095 397 L HA -0.129 4.211 4.340 -0.001 0.000 0.204 397 L C 2.563 179.383 176.870 -0.083 0.000 1.080 397 L CA 1.229 55.945 54.840 -0.206 0.000 0.759 397 L CB -0.376 41.659 42.059 -0.041 0.000 0.914 397 L HN 0.186 nan 8.230 nan 0.000 0.439 398 E N -0.082 120.042 120.200 -0.126 0.000 2.072 398 E HA -0.213 4.137 4.350 -0.001 0.000 0.191 398 E C 1.499 178.079 176.600 -0.032 0.000 0.985 398 E CA 1.195 57.565 56.400 -0.050 0.000 0.801 398 E CB -0.065 29.595 29.700 -0.066 0.000 0.750 398 E HN 0.403 nan 8.360 nan 0.000 0.452 399 D N -0.256 120.074 120.400 -0.116 0.000 2.310 399 D HA -0.126 4.514 4.640 -0.001 0.000 0.212 399 D C 0.680 177.028 176.300 0.081 0.000 0.965 399 D CA 0.583 54.543 54.000 -0.066 0.000 0.879 399 D CB -0.070 40.639 40.800 -0.152 0.000 0.921 399 D HN 0.310 nan 8.370 nan 0.000 0.510 400 W N 2.091 123.407 121.300 0.026 0.000 3.447 400 W HA 0.117 4.776 4.660 -0.000 0.000 0.348 400 W C 0.254 176.789 176.519 0.027 0.000 1.220 400 W CA -0.283 57.083 57.345 0.034 0.000 1.809 400 W CB -1.182 28.307 29.460 0.049 0.000 1.040 400 W HN 0.058 nan 8.180 nan 0.000 0.735 441 L N 1.193 122.407 121.223 -0.015 0.000 3.209 441 L HA 0.396 4.736 4.340 -0.001 0.000 0.279 441 L C 1.664 178.449 176.870 -0.142 0.000 1.301 441 L CA -0.194 54.630 54.840 -0.026 0.000 1.004 441 L CB 0.977 43.205 42.059 0.282 0.000 1.402 441 L HN 0.021 nan 8.230 nan 0.000 0.577 442 K N 0.462 120.757 120.400 -0.174 0.000 2.280 442 K HA -0.089 4.230 4.320 -0.001 0.000 0.202 442 K C 1.155 177.623 176.600 -0.221 0.000 1.047 442 K CA 1.125 57.320 56.287 -0.155 0.000 0.942 442 K CB 0.311 32.737 32.500 -0.123 0.000 0.739 442 K HN 0.469 nan 8.250 nan 0.000 0.457 443 N N -0.571 117.893 118.700 -0.392 0.000 2.356 443 N HA -0.036 4.704 4.740 -0.001 0.000 0.178 443 N C -0.283 175.035 175.510 -0.319 0.000 1.075 443 N CA 0.370 53.192 53.050 -0.380 0.000 0.889 443 N CB 0.304 38.537 38.487 -0.424 0.000 0.999 443 N HN 0.169 nan 8.380 nan 0.000 0.464 444 Y N 1.403 121.551 120.300 -0.253 0.000 2.323 444 Y HA 0.217 4.767 4.550 -0.001 0.000 0.331 444 Y C 0.758 176.225 175.900 -0.722 0.000 1.092 444 Y CA -1.089 56.716 58.100 -0.491 0.000 1.150 444 Y CB 1.063 39.145 38.460 -0.630 0.000 1.200 444 Y HN -0.169 nan 8.280 nan 0.000 0.472 445 T N 1.142 115.424 114.554 -0.454 0.000 2.733 445 T HA 0.549 4.899 4.350 -0.001 0.000 0.294 445 T C -0.868 173.609 174.700 -0.372 0.000 0.956 445 T CA -0.589 61.294 62.100 -0.361 0.000 0.987 445 T CB -0.056 68.729 68.868 -0.138 0.000 0.920 445 T HN 0.378 nan 8.240 nan 0.000 0.470 446 F N 1.497 121.509 119.950 0.103 0.000 2.520 446 F HA 0.389 4.916 4.527 -0.001 0.000 0.322 446 F C 0.293 176.167 175.800 0.124 0.000 1.103 446 F CA -1.689 56.377 58.000 0.110 0.000 0.926 446 F CB 1.436 40.537 39.000 0.169 0.000 1.154 446 F HN 0.589 nan 8.300 nan 0.000 0.453 447 W N 5.170 126.518 121.300 0.081 0.000 2.505 447 W HA 0.031 4.691 4.660 -0.001 0.000 0.332 447 W C -0.338 176.271 176.519 0.149 0.000 1.434 447 W CA -0.085 57.290 57.345 0.050 0.000 1.320 447 W CB 0.143 29.527 29.460 -0.127 0.000 1.363 447 W HN 0.491 nan 8.180 nan 0.000 0.565 448 E N 4.422 124.885 120.200 0.438 0.000 2.259 448 E HA 0.275 4.625 4.350 -0.001 0.000 0.281 448 E C -0.769 176.046 176.600 0.358 0.000 1.037 448 E CA -0.407 56.182 56.400 0.316 0.000 0.854 448 E CB 1.935 31.742 29.700 0.178 0.000 1.051 448 E HN 0.163 nan 8.360 nan 0.000 0.409 449 V N 3.538 123.589 119.914 0.228 0.000 2.524 449 V HA 0.136 4.256 4.120 -0.001 0.000 0.297 449 V C -0.617 175.517 176.094 0.066 0.000 1.035 449 V CA -0.888 61.516 62.300 0.173 0.000 0.867 449 V CB 2.056 33.947 31.823 0.113 0.000 1.004 449 V HN 0.484 nan 8.190 nan 0.000 0.426 450 D N 4.869 125.314 120.400 0.075 0.000 2.381 450 D HA 0.436 5.076 4.640 -0.001 0.000 0.235 450 D C -0.022 176.303 176.300 0.041 0.000 1.068 450 D CA -0.276 53.744 54.000 0.033 0.000 0.832 450 D CB 1.751 42.578 40.800 0.045 0.000 1.101 450 D HN 0.470 nan 8.370 nan 0.000 0.515 451 L N 4.038 125.269 121.223 0.014 0.000 3.094 451 L HA 0.276 4.615 4.340 -0.001 0.000 0.254 451 L C 1.719 178.622 176.870 0.055 0.000 1.298 451 L CA -0.279 54.614 54.840 0.089 0.000 1.050 451 L CB 0.354 42.507 42.059 0.157 0.000 1.420 451 L HN 0.156 nan 8.230 nan 0.000 0.548 452 K N 0.460 120.852 120.400 -0.014 0.000 2.076 452 K HA -0.104 4.216 4.320 -0.001 0.000 0.204 452 K C 1.493 178.104 176.600 0.018 0.000 1.051 452 K CA 0.959 57.183 56.287 -0.105 0.000 0.949 452 K CB 0.345 32.811 32.500 -0.057 0.000 0.726 452 K HN 0.055 nan 8.250 nan 0.000 0.443 453 E N 0.595 120.855 120.200 0.100 0.000 2.489 453 E HA -0.015 4.335 4.350 -0.001 0.000 0.193 453 E C 0.307 177.036 176.600 0.216 0.000 1.057 453 E CA 0.536 57.036 56.400 0.167 0.000 0.866 453 E CB 0.374 30.154 29.700 0.132 0.000 0.916 453 E HN 0.009 nan 8.360 nan 0.000 0.500 454 K N -0.011 120.534 120.400 0.242 0.000 2.437 454 K HA 0.113 4.432 4.320 -0.001 0.000 0.205 454 K C -0.383 176.403 176.600 0.311 0.000 1.026 454 K CA -0.185 56.249 56.287 0.245 0.000 1.153 454 K CB 0.149 32.760 32.500 0.184 0.000 0.863 454 K HN 0.027 nan 8.250 nan 0.000 0.502 455 F N 1.168 121.181 119.950 0.106 0.000 2.399 455 F HA 0.210 4.737 4.527 -0.001 0.000 0.342 455 F C 0.866 176.851 175.800 0.308 0.000 1.106 455 F CA -0.474 57.618 58.000 0.154 0.000 1.196 455 F CB 1.335 40.368 39.000 0.054 0.000 1.163 455 F HN -0.217 nan 8.300 nan 0.000 0.547 456 S N 1.243 117.110 115.700 0.278 0.000 2.540 456 S HA 0.705 5.174 4.470 -0.001 0.000 0.275 456 S C -0.051 174.527 174.600 -0.037 0.000 1.123 456 S CA -0.155 58.186 58.200 0.235 0.000 0.907 456 S CB 1.518 64.858 63.200 0.233 0.000 1.081 456 S HN 0.743 nan 8.310 nan 0.000 0.476 457 A N 2.266 124.986 122.820 -0.167 0.000 2.308 457 A HA 0.307 4.627 4.320 -0.001 0.000 0.217 457 A C -0.129 177.394 177.584 -0.102 0.000 1.216 457 A CA -0.034 51.727 52.037 -0.459 0.000 0.864 457 A CB -0.077 18.600 19.000 -0.539 0.000 0.902 457 A HN 0.749 nan 8.150 nan 0.000 0.499 458 D N 1.122 121.555 120.400 0.055 0.000 2.494 458 D HA 0.287 4.927 4.640 -0.001 0.000 0.217 458 D C 1.093 177.514 176.300 0.201 0.000 1.153 458 D CA -0.098 53.968 54.000 0.111 0.000 0.954 458 D CB 0.864 41.732 40.800 0.113 0.000 1.034 458 D HN 0.312 nan 8.370 nan 0.000 0.518 459 L N 0.431 121.741 121.223 0.145 0.000 2.093 459 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 459 L C 2.070 179.074 176.870 0.223 0.000 1.085 459 L CA 0.745 55.710 54.840 0.209 0.000 0.755 459 L CB -0.324 41.828 42.059 0.156 0.000 0.904 459 L HN 0.192 nan 8.230 nan 0.000 0.435 460 D N 0.378 120.841 120.400 0.106 0.000 2.248 460 D HA -0.267 4.372 4.640 -0.001 0.000 0.191 460 D C 2.074 178.326 176.300 -0.079 0.000 1.013 460 D CA 1.502 55.516 54.000 0.024 0.000 0.883 460 D CB 0.001 40.797 40.800 -0.006 0.000 0.915 460 D HN 0.251 nan 8.370 nan 0.000 0.448 461 Q N -1.035 118.635 119.800 -0.216 0.000 2.561 461 Q HA -0.035 4.305 4.340 -0.001 0.000 0.217 461 Q C -0.260 175.071 176.000 -1.115 0.000 0.980 461 Q CA 0.627 56.014 55.803 -0.693 0.000 0.927 461 Q CB -0.203 27.981 28.738 -0.924 0.000 0.980 461 Q HN 0.396 nan 8.270 nan 0.000 0.525 462 F N -0.440 119.399 119.950 -0.185 0.000 2.578 462 F HA 0.276 4.802 4.527 -0.001 0.000 0.311 462 F C -1.633 174.100 175.800 -0.112 0.000 1.094 462 F CA -2.518 55.340 58.000 -0.237 0.000 0.923 462 F CB 1.451 40.100 39.000 -0.585 0.000 1.230 462 F HN -0.286 nan 8.300 nan 0.000 0.450 463 P HA -0.189 nan 4.420 nan 0.000 0.214 463 P C 1.839 179.199 177.300 0.100 0.000 1.163 463 P CA 1.431 64.564 63.100 0.055 0.000 0.883 463 P CB 0.781 32.490 31.700 0.017 0.000 0.788 464 L N -0.234 121.052 121.223 0.105 0.000 2.017 464 L HA -0.100 4.239 4.340 -0.001 0.000 0.208 464 L C 2.613 179.638 176.870 0.258 0.000 1.073 464 L CA 2.517 57.420 54.840 0.105 0.000 0.745 464 L CB -1.496 40.562 42.059 -0.000 0.000 0.894 464 L HN 0.034 nan 8.230 nan 0.000 0.432 465 G N -0.664 108.306 108.800 0.285 0.000 2.440 465 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.218 465 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.218 465 G C 1.726 176.787 174.900 0.269 0.000 1.154 465 G CA 0.703 45.984 45.100 0.302 0.000 0.767 465 G HN 0.324 nan 8.290 nan 0.000 0.552 466 R N 0.356 120.967 120.500 0.185 0.000 2.070 466 R HA -0.037 4.302 4.340 -0.001 0.000 0.233 466 R C 2.718 179.073 176.300 0.091 0.000 1.137 466 R CA 1.597 57.760 56.100 0.105 0.000 0.945 466 R CB -0.238 30.094 30.300 0.055 0.000 0.845 466 R HN 0.283 nan 8.270 nan 0.000 0.430 467 K N -0.176 120.303 120.400 0.131 0.000 2.071 467 K HA -0.273 4.046 4.320 -0.001 0.000 0.217 467 K C 1.842 178.494 176.600 0.087 0.000 1.054 467 K CA 2.306 58.693 56.287 0.167 0.000 0.937 467 K CB -0.595 32.092 32.500 0.312 0.000 0.719 467 K HN 0.098 nan 8.250 nan 0.000 0.454 468 F N 1.766 121.767 119.950 0.084 0.000 2.024 468 F HA -0.310 4.217 4.527 -0.001 0.000 0.296 468 F C 1.952 177.553 175.800 -0.332 0.000 1.137 468 F CA 1.674 59.539 58.000 -0.225 0.000 1.200 468 F CB -0.769 38.197 39.000 -0.056 0.000 0.954 468 F HN -0.035 nan 8.300 nan 0.000 0.497 469 L N -0.513 120.557 121.223 -0.255 0.000 2.030 469 L HA -0.309 4.031 4.340 -0.001 0.000 0.222 469 L C 2.504 179.156 176.870 -0.363 0.000 1.082 469 L CA 1.753 56.410 54.840 -0.306 0.000 0.785 469 L CB -1.010 41.022 42.059 -0.044 0.000 0.895 469 L HN 0.412 nan 8.230 nan 0.000 0.439 470 L N -0.400 120.674 121.223 -0.248 0.000 1.937 470 L HA -0.267 4.072 4.340 -0.001 0.000 0.213 470 L C 2.629 179.314 176.870 -0.308 0.000 1.077 470 L CA 1.969 56.683 54.840 -0.210 0.000 0.758 470 L CB -1.118 40.871 42.059 -0.117 0.000 0.888 470 L HN 0.323 nan 8.230 nan 0.000 0.433 471 Q N 0.098 119.672 119.800 -0.376 0.000 2.029 471 Q HA -0.277 4.063 4.340 -0.001 0.000 0.209 471 Q C 2.018 177.671 176.000 -0.579 0.000 0.999 471 Q CA 2.619 58.145 55.803 -0.461 0.000 0.857 471 Q CB -0.692 27.671 28.738 -0.624 0.000 0.926 471 Q HN 0.658 nan 8.270 nan 0.000 0.415 472 A N -0.004 122.296 122.820 -0.866 0.000 2.148 472 A HA -0.056 4.264 4.320 -0.001 0.000 0.222 472 A C 1.517 178.818 177.584 -0.472 0.000 1.161 472 A CA 2.318 53.877 52.037 -0.796 0.000 0.662 472 A CB -1.008 17.261 19.000 -1.220 0.000 0.799 472 A HN 0.863 nan 8.150 nan 0.000 0.466 473 G N -0.997 107.573 108.800 -0.384 0.000 2.728 473 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.269 473 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.269 473 G C 0.325 175.088 174.900 -0.229 0.000 1.334 473 G CA 0.374 45.325 45.100 -0.248 0.000 0.974 473 G HN 1.468 nan 8.290 nan 0.000 0.550 474 L N 0.000 121.113 121.223 -0.184 0.000 2.949 474 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 474 L CA 0.000 54.759 54.840 -0.135 0.000 0.813 474 L CB 0.000 42.007 42.059 -0.086 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502