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 1kxt_1_A DATA FIRST_RESID 1 DATA SEQUENCE QYAPQTQSGR TSIVHLFEWR WVDIALEcER YLGPKGFGGV QVSPPNENIV DATA SEQUENCE VTNPSRPWWE RYQPVSYKLc TRSGNENEFR DMVTRcNNVG VRIYVDAVIN DATA SEQUENCE HMCGSGAAAG TGTTcGSYCN PGSREFPAVP YSAWDFNDGK cKTASGGIES DATA SEQUENCE YNDPYQVRDc QLVGLLDLAL EKDYVRSMIA DYLNKLIDIG VAGFRIDASK DATA SEQUENCE HMWPGDIKAV LDKLHNLNTN WFPAGSRPFI FQEVIDLGGE AIKSSEYFGN DATA SEQUENCE GRVTEFKYGA KLGTVVRKWS GEKMSYLKNW GEGWGFMPSD RALVFVDNHD DATA SEQUENCE NQRGHGAGGS SILTFWDARL YKIAVGFMLA HPYGFTRVMS SYRWARNFVN DATA SEQUENCE GEDVNDWIGP PNNNGVIKEV TINADTTcGN DWVcEHRWRE IRNMVWFRNV DATA SEQUENCE VDGQPFANWW DNGSNQVAFG RGNRGFIVFN NDDWQLSSTL QTGLPGGTYc DATA SEQUENCE DVISGDKVGN ScTGIKVYVS SDGTAQFSIS NSAEDPFIAI HAESKL 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 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.921 176.000 -0.131 0.000 1.003 1 Q CA 0.000 55.685 55.803 -0.196 0.000 1.022 1 Q CB 0.000 28.555 28.738 -0.305 0.000 1.108 2 Y N 1.257 121.645 120.300 0.147 0.000 2.448 2 Y HA 0.388 4.943 4.550 0.009 0.000 0.289 2 Y C 1.419 177.358 175.900 0.064 0.000 1.114 2 Y CA 0.533 58.727 58.100 0.156 0.000 1.235 2 Y CB 0.213 38.703 38.460 0.049 0.000 1.045 2 Y HN 0.066 nan 8.280 nan 0.000 0.554 3 A N 2.634 125.497 122.820 0.072 0.000 2.440 3 A HA 0.184 4.523 4.320 0.032 0.000 0.251 3 A C -1.305 175.932 177.584 -0.578 0.000 1.089 3 A CA -1.164 50.760 52.037 -0.188 0.000 0.779 3 A CB 0.052 18.998 19.000 -0.088 0.000 1.022 3 A HN 0.107 nan 8.150 nan 0.000 0.492 4 P HA -0.152 nan 4.420 nan 0.000 0.221 4 P C -0.039 176.932 177.300 -0.549 0.000 1.150 4 P CA 0.868 62.954 63.100 -1.690 0.000 0.800 4 P CB 0.134 30.776 31.700 -1.764 0.000 0.787 5 Q N -0.999 118.653 119.800 -0.247 0.000 2.465 5 Q HA -0.108 4.251 4.340 0.032 0.000 0.248 5 Q C 0.299 176.398 176.000 0.166 0.000 0.819 5 Q CA 1.345 57.173 55.803 0.042 0.000 1.219 5 Q CB -3.167 25.619 28.738 0.080 0.000 1.472 5 Q HN 0.509 nan 8.270 nan 0.000 0.630 6 T N -2.685 111.901 114.554 0.054 0.000 2.828 6 T HA 0.350 4.719 4.350 0.032 0.000 0.290 6 T C 0.482 175.216 174.700 0.056 0.000 1.019 6 T CA -0.472 61.691 62.100 0.105 0.000 1.031 6 T CB 1.587 70.523 68.868 0.114 0.000 1.001 6 T HN 0.256 nan 8.240 nan 0.000 0.531 7 Q N 1.199 121.015 119.800 0.026 0.000 2.300 7 Q HA 0.151 4.510 4.340 0.032 0.000 0.280 7 Q C -0.211 175.780 176.000 -0.014 0.000 1.033 7 Q CA -0.201 55.596 55.803 -0.011 0.000 0.903 7 Q CB 0.223 28.943 28.738 -0.031 0.000 1.195 7 Q HN 0.793 nan 8.270 nan 0.000 0.386 8 S N 2.668 118.356 115.700 -0.020 0.000 2.715 8 S HA 0.098 4.587 4.470 0.032 0.000 0.318 8 S C 1.081 175.646 174.600 -0.059 0.000 1.242 8 S CA 0.718 58.899 58.200 -0.033 0.000 1.044 8 S CB 0.127 63.308 63.200 -0.031 0.000 0.760 8 S HN 1.046 nan 8.310 nan 0.000 0.501 9 G N 3.242 111.998 108.800 -0.073 0.000 2.284 9 G HA2 -0.260 3.719 3.960 0.032 0.000 0.247 9 G HA3 -0.260 3.719 3.960 0.032 0.000 0.247 9 G C -0.014 174.796 174.900 -0.149 0.000 1.012 9 G CA -0.091 44.934 45.100 -0.125 0.000 0.618 9 G HN 0.690 nan 8.290 nan 0.000 0.521 10 R N 0.959 121.403 120.500 -0.092 0.000 2.265 10 R HA 0.515 4.874 4.340 0.032 0.000 0.314 10 R C 1.107 177.392 176.300 -0.025 0.000 1.053 10 R CA 0.502 56.554 56.100 -0.080 0.000 0.931 10 R CB 0.791 31.080 30.300 -0.018 0.000 1.024 10 R HN 0.362 nan 8.270 nan 0.000 0.457 11 T N -2.519 111.977 114.554 -0.097 0.000 3.132 11 T HA 0.237 4.606 4.350 0.032 0.000 0.274 11 T C 0.305 174.734 174.700 -0.451 0.000 1.011 11 T CA -0.317 61.703 62.100 -0.133 0.000 0.899 11 T CB 0.445 69.212 68.868 -0.169 0.000 1.089 11 T HN 0.303 nan 8.240 nan 0.000 0.543 12 S N 1.671 117.186 115.700 -0.308 0.000 2.618 12 S HA 0.822 5.311 4.470 0.032 0.000 0.277 12 S C -1.273 173.299 174.600 -0.046 0.000 1.138 12 S CA -0.937 57.025 58.200 -0.397 0.000 0.844 12 S CB 1.940 64.955 63.200 -0.308 0.000 1.127 12 S HN 0.532 nan 8.310 nan 0.000 0.474 13 I N -0.296 120.277 120.570 0.004 0.000 2.828 13 I HA 0.863 5.052 4.170 0.032 0.000 0.302 13 I C -0.911 175.298 176.117 0.153 0.000 1.101 13 I CA -1.177 60.227 61.300 0.174 0.000 1.031 13 I CB 1.117 39.228 38.000 0.184 0.000 1.231 13 I HN 0.519 nan 8.210 nan 0.000 0.427 14 V N 1.222 121.249 119.914 0.188 0.000 2.680 14 V HA 0.537 4.676 4.120 0.032 0.000 0.309 14 V C -0.619 175.531 176.094 0.093 0.000 1.052 14 V CA -0.548 61.825 62.300 0.121 0.000 0.908 14 V CB 1.458 33.305 31.823 0.041 0.000 1.001 14 V HN 0.958 nan 8.190 nan 0.000 0.431 15 H N 4.596 123.655 119.070 -0.018 0.000 2.820 15 H HA 0.486 5.064 4.556 0.036 0.000 0.278 15 H C -0.194 175.104 175.328 -0.050 0.000 1.142 15 H CA -1.050 55.009 56.048 0.020 0.000 1.346 15 H CB 0.608 30.408 29.762 0.063 0.000 1.438 15 H HN 0.741 nan 8.280 nan 0.000 0.473 16 L N 7.110 128.187 121.223 -0.243 0.000 2.437 16 L HA 0.096 4.455 4.340 0.032 0.000 0.243 16 L C 0.360 177.130 176.870 -0.167 0.000 1.346 16 L CA -0.335 54.105 54.840 -0.666 0.000 1.233 16 L CB -0.835 40.515 42.059 -1.183 0.000 1.436 16 L HN 0.576 nan 8.230 nan 0.000 0.416 17 F N 3.978 123.707 119.950 -0.367 0.000 2.473 17 F HA -0.182 4.366 4.527 0.035 0.000 0.405 17 F C 1.133 177.140 175.800 0.345 0.000 0.988 17 F CA 0.379 58.250 58.000 -0.215 0.000 1.096 17 F CB 0.121 39.043 39.000 -0.130 0.000 0.944 17 F HN 0.547 nan 8.300 nan 0.000 0.530 18 E N 2.125 122.409 120.200 0.140 0.000 3.496 18 E HA -0.289 4.080 4.350 0.032 0.000 0.300 18 E C -0.484 176.223 176.600 0.179 0.000 0.877 18 E CA 0.887 57.317 56.400 0.051 0.000 1.050 18 E CB -1.535 28.026 29.700 -0.233 0.000 1.532 18 E HN 0.636 nan 8.360 nan 0.000 0.447 19 W N 1.617 122.853 121.300 -0.105 0.000 2.137 19 W HA 0.154 4.838 4.660 0.040 0.000 0.344 19 W C 1.542 177.926 176.519 -0.225 0.000 1.286 19 W CA 0.145 57.313 57.345 -0.293 0.000 1.240 19 W CB 0.245 29.549 29.460 -0.259 0.000 1.141 19 W HN -0.073 nan 8.180 nan 0.000 0.579 20 R N 1.397 121.844 120.500 -0.088 0.000 2.560 20 R HA 0.153 4.512 4.340 0.032 0.000 0.270 20 R C 1.023 177.411 176.300 0.145 0.000 1.074 20 R CA -0.480 55.516 56.100 -0.174 0.000 1.140 20 R CB 0.562 30.762 30.300 -0.166 0.000 1.073 20 R HN 0.687 nan 8.270 nan 0.000 0.527 21 W N 0.706 122.057 121.300 0.085 0.000 2.363 21 W HA -0.195 4.484 4.660 0.031 0.000 0.296 21 W C 1.935 178.471 176.519 0.028 0.000 1.212 21 W CA 0.388 57.776 57.345 0.072 0.000 1.260 21 W CB -0.218 29.308 29.460 0.110 0.000 1.131 21 W HN 0.461 nan 8.180 nan 0.000 0.530 22 V N -2.020 118.034 119.914 0.233 0.000 2.515 22 V HA -0.220 3.919 4.120 0.032 0.000 0.250 22 V C 1.561 177.708 176.094 0.088 0.000 1.058 22 V CA 2.108 64.483 62.300 0.124 0.000 1.064 22 V CB -0.785 31.079 31.823 0.067 0.000 0.675 22 V HN 0.019 nan 8.190 nan 0.000 0.461 23 D N 0.661 121.108 120.400 0.078 0.000 2.162 23 D HA 0.059 4.718 4.640 0.032 0.000 0.203 23 D C 2.188 178.620 176.300 0.220 0.000 0.967 23 D CA 1.542 55.577 54.000 0.059 0.000 0.840 23 D CB -0.023 40.692 40.800 -0.141 0.000 0.972 23 D HN 0.498 nan 8.370 nan 0.000 0.482 24 I N 1.400 122.135 120.570 0.276 0.000 2.252 24 I HA -0.231 3.958 4.170 0.032 0.000 0.245 24 I C 2.541 178.701 176.117 0.071 0.000 1.102 24 I CA 0.832 62.246 61.300 0.189 0.000 1.385 24 I CB -0.249 37.856 38.000 0.175 0.000 1.064 24 I HN -0.095 nan 8.210 nan 0.000 0.414 25 A N 1.336 124.193 122.820 0.062 0.000 1.873 25 A HA -0.222 4.117 4.320 0.032 0.000 0.218 25 A C 2.306 179.903 177.584 0.022 0.000 1.193 25 A CA 1.738 53.779 52.037 0.005 0.000 0.629 25 A CB -1.029 17.979 19.000 0.012 0.000 0.826 25 A HN 0.374 nan 8.150 nan 0.000 0.447 26 L N -1.227 120.027 121.223 0.051 0.000 2.017 26 L HA -0.214 4.145 4.340 0.032 0.000 0.208 26 L C 2.692 179.608 176.870 0.076 0.000 1.073 26 L CA 1.821 56.694 54.840 0.055 0.000 0.745 26 L CB -0.550 41.540 42.059 0.053 0.000 0.894 26 L HN 0.473 nan 8.230 nan 0.000 0.432 27 E N -0.277 119.992 120.200 0.115 0.000 2.130 27 E HA -0.236 4.133 4.350 0.032 0.000 0.196 27 E C 2.226 178.875 176.600 0.081 0.000 0.998 27 E CA 1.699 58.181 56.400 0.137 0.000 0.806 27 E CB -0.324 29.479 29.700 0.172 0.000 0.738 27 E HN 0.454 nan 8.360 nan 0.000 0.459 28 c N 0.428 119.040 118.600 0.019 0.000 2.413 28 c HA -0.132 4.457 4.570 0.032 0.000 0.277 28 c C 2.393 176.491 174.090 0.014 0.000 1.228 28 c CA 1.306 57.627 56.329 -0.013 0.000 1.731 28 c CB -0.976 41.498 42.510 -0.061 0.000 2.042 28 c HN 0.557 nan 8.230 nan 0.000 0.468 29 E N 0.509 120.721 120.200 0.020 0.000 2.046 29 E HA -0.185 4.184 4.350 0.032 0.000 0.190 29 E C 2.344 178.975 176.600 0.053 0.000 0.982 29 E CA 1.072 57.488 56.400 0.027 0.000 0.800 29 E CB -0.315 29.398 29.700 0.021 0.000 0.756 29 E HN 0.698 nan 8.360 nan 0.000 0.449 30 R N -0.564 119.985 120.500 0.081 0.000 2.193 30 R HA -0.088 4.271 4.340 0.032 0.000 0.213 30 R C 1.353 177.761 176.300 0.179 0.000 1.055 30 R CA 1.315 57.480 56.100 0.110 0.000 0.995 30 R CB -0.034 30.332 30.300 0.109 0.000 0.893 30 R HN 0.296 nan 8.270 nan 0.000 0.459 31 Y N -0.032 120.280 120.300 0.020 0.000 3.260 31 Y HA 0.232 4.800 4.550 0.030 0.000 0.202 31 Y C 1.787 177.695 175.900 0.014 0.000 0.962 31 Y CA -0.272 57.839 58.100 0.018 0.000 1.582 31 Y CB 0.041 38.501 38.460 -0.000 0.000 1.478 31 Y HN -0.157 nan 8.280 nan 0.000 0.384 32 L N 0.816 122.057 121.223 0.030 0.000 2.051 32 L HA -0.220 4.139 4.340 0.032 0.000 0.214 32 L C 2.472 179.374 176.870 0.053 0.000 1.076 32 L CA 1.822 56.606 54.840 -0.093 0.000 0.758 32 L CB -1.241 40.772 42.059 -0.077 0.000 0.890 32 L HN 0.544 nan 8.230 nan 0.000 0.433 33 G N 0.402 109.220 108.800 0.030 0.000 2.511 33 G HA2 -0.195 3.784 3.960 0.032 0.000 0.216 33 G HA3 -0.195 3.784 3.960 0.032 0.000 0.216 33 G C -0.595 174.348 174.900 0.072 0.000 1.218 33 G CA 0.866 45.995 45.100 0.048 0.000 0.788 33 G HN 0.309 nan 8.290 nan 0.000 0.560 34 P HA -0.039 nan 4.420 nan 0.000 0.217 34 P C 1.325 178.671 177.300 0.077 0.000 1.148 34 P CA 1.258 64.380 63.100 0.038 0.000 0.828 34 P CB 0.080 31.772 31.700 -0.013 0.000 0.783 35 K N -1.600 118.812 120.400 0.020 0.000 2.417 35 K HA 0.319 4.658 4.320 0.032 0.000 0.196 35 K C 1.090 177.953 176.600 0.439 0.000 1.023 35 K CA 0.492 56.871 56.287 0.153 0.000 1.122 35 K CB -0.872 31.546 32.500 -0.138 0.000 0.850 35 K HN 0.071 nan 8.250 nan 0.000 0.521 36 G N 0.692 109.711 108.800 0.365 0.000 2.160 36 G HA2 -0.280 3.699 3.960 0.032 0.000 0.251 36 G HA3 -0.280 3.699 3.960 0.032 0.000 0.251 36 G C -0.290 174.634 174.900 0.039 0.000 1.008 36 G CA -0.261 44.927 45.100 0.147 0.000 0.724 36 G HN 0.193 nan 8.290 nan 0.000 0.514 37 F N 0.485 120.453 119.950 0.030 0.000 2.443 37 F HA 0.506 5.053 4.527 0.034 0.000 0.353 37 F C 1.803 177.624 175.800 0.035 0.000 1.101 37 F CA 0.481 58.506 58.000 0.040 0.000 1.226 37 F CB 1.262 40.302 39.000 0.066 0.000 1.140 37 F HN -0.004 nan 8.300 nan 0.000 0.557 38 G N 1.554 110.458 108.800 0.174 0.000 2.421 38 G HA2 0.372 4.351 3.960 0.032 0.000 0.217 38 G HA3 0.372 4.351 3.960 0.032 0.000 0.217 38 G C 0.521 175.564 174.900 0.238 0.000 1.143 38 G CA 0.696 45.902 45.100 0.177 0.000 0.784 38 G HN 1.051 nan 8.290 nan 0.000 0.541 39 G N -2.206 106.775 108.800 0.301 0.000 2.356 39 G HA2 0.444 4.423 3.960 0.032 0.000 0.294 39 G HA3 0.444 4.423 3.960 0.032 0.000 0.294 39 G C -2.073 173.006 174.900 0.299 0.000 1.423 39 G CA -0.275 45.007 45.100 0.304 0.000 0.806 39 G HN 0.484 nan 8.290 nan 0.000 0.527 40 V N 0.250 120.292 119.914 0.214 0.000 2.680 40 V HA 0.638 4.777 4.120 0.032 0.000 0.309 40 V C -0.009 176.269 176.094 0.307 0.000 1.052 40 V CA -0.716 61.683 62.300 0.166 0.000 0.908 40 V CB 1.735 33.543 31.823 -0.024 0.000 1.001 40 V HN 0.866 nan 8.190 nan 0.000 0.431 41 Q N 3.063 123.060 119.800 0.328 0.000 2.303 41 Q HA 0.621 4.980 4.340 0.032 0.000 0.257 41 Q C -0.763 175.476 176.000 0.400 0.000 0.941 41 Q CA -0.462 55.584 55.803 0.405 0.000 0.931 41 Q CB 1.807 30.758 28.738 0.354 0.000 1.215 41 Q HN 0.806 nan 8.270 nan 0.000 0.437 42 V N 1.113 121.237 119.914 0.349 0.000 2.966 42 V HA 0.622 4.761 4.120 0.032 0.000 0.317 42 V C 0.028 176.420 176.094 0.496 0.000 1.070 42 V CA -0.808 61.738 62.300 0.410 0.000 1.008 42 V CB 1.677 33.693 31.823 0.320 0.000 1.070 42 V HN 0.771 nan 8.190 nan 0.000 0.457 43 S N 2.547 118.583 115.700 0.561 0.000 2.600 43 S HA 0.372 4.861 4.470 0.032 0.000 0.265 43 S C -2.448 172.399 174.600 0.411 0.000 1.325 43 S CA -0.519 57.967 58.200 0.476 0.000 1.002 43 S CB 0.236 63.669 63.200 0.387 0.000 0.921 43 S HN 0.836 nan 8.310 nan 0.000 0.554 44 P HA 0.007 nan 4.420 nan 0.000 0.255 44 P C -1.903 175.561 177.300 0.273 0.000 1.161 44 P CA -0.498 62.705 63.100 0.172 0.000 0.768 44 P CB -0.008 31.664 31.700 -0.046 0.000 0.746 45 P HA -0.027 nan 4.420 nan 0.000 0.257 45 P C -0.338 177.071 177.300 0.182 0.000 1.281 45 P CA 0.445 63.740 63.100 0.325 0.000 0.826 45 P CB 0.224 31.856 31.700 -0.114 0.000 1.237 46 N N 0.157 118.955 118.700 0.162 0.000 2.492 46 N HA 0.092 4.851 4.740 0.032 0.000 0.289 46 N C -0.319 175.208 175.510 0.028 0.000 1.133 46 N CA -0.523 52.564 53.050 0.061 0.000 0.961 46 N CB 1.637 40.081 38.487 -0.072 0.000 1.186 46 N HN -0.069 nan 8.380 nan 0.000 0.493 47 E N 0.542 120.740 120.200 -0.003 0.000 2.481 47 E HA -0.092 4.277 4.350 0.032 0.000 0.263 47 E C -0.429 176.161 176.600 -0.016 0.000 0.992 47 E CA 0.125 56.521 56.400 -0.006 0.000 0.938 47 E CB 0.347 30.038 29.700 -0.015 0.000 0.933 47 E HN 0.758 nan 8.360 nan 0.000 0.453 48 N N 4.505 123.207 118.700 0.003 0.000 2.509 48 N HA 0.243 5.002 4.740 0.032 0.000 0.280 48 N C -0.528 174.995 175.510 0.021 0.000 1.306 48 N CA -0.794 52.267 53.050 0.019 0.000 0.782 48 N CB 0.917 39.422 38.487 0.029 0.000 1.493 48 N HN 0.408 nan 8.380 nan 0.000 0.498 49 I N 1.332 121.926 120.570 0.039 0.000 2.634 49 I HA 0.112 4.301 4.170 0.032 0.000 0.284 49 I C -0.487 175.628 176.117 -0.003 0.000 1.124 49 I CA -0.285 61.030 61.300 0.024 0.000 1.417 49 I CB 1.226 39.252 38.000 0.043 0.000 1.396 49 I HN 0.267 nan 8.210 nan 0.000 0.571 50 V N 8.017 127.917 119.914 -0.024 0.000 2.432 50 V HA 0.207 4.346 4.120 0.032 0.000 0.275 50 V C 0.114 176.168 176.094 -0.066 0.000 1.043 50 V CA -0.493 61.778 62.300 -0.048 0.000 0.925 50 V CB 1.418 33.214 31.823 -0.045 0.000 0.985 50 V HN 0.474 nan 8.190 nan 0.000 0.466 51 V N 4.763 124.611 119.914 -0.110 0.000 2.398 51 V HA 0.346 4.485 4.120 0.032 0.000 0.286 51 V C 0.995 176.992 176.094 -0.161 0.000 1.026 51 V CA 0.143 62.357 62.300 -0.144 0.000 0.868 51 V CB 1.586 33.264 31.823 -0.241 0.000 0.982 51 V HN 1.028 nan 8.190 nan 0.000 0.443 52 T N -0.159 114.316 114.554 -0.131 0.000 3.054 52 T HA 0.196 4.565 4.350 0.032 0.000 0.255 52 T C 0.434 175.040 174.700 -0.157 0.000 1.035 52 T CA -0.013 62.014 62.100 -0.122 0.000 0.941 52 T CB -0.168 68.651 68.868 -0.080 0.000 1.026 52 T HN 0.480 nan 8.240 nan 0.000 0.533 53 N N 2.740 121.328 118.700 -0.187 0.000 2.607 53 N HA 0.401 5.160 4.740 0.032 0.000 0.271 53 N C -2.923 172.427 175.510 -0.266 0.000 1.142 53 N CA -1.374 51.542 53.050 -0.223 0.000 0.810 53 N CB 1.664 40.068 38.487 -0.138 0.000 1.306 53 N HN 0.082 nan 8.380 nan 0.000 0.536 54 P HA 0.088 nan 4.420 nan 0.000 0.272 54 P C -0.287 176.682 177.300 -0.553 0.000 1.240 54 P CA -0.350 62.244 63.100 -0.843 0.000 0.791 54 P CB 0.700 31.193 31.700 -2.011 0.000 0.978 55 S N 2.098 117.581 115.700 -0.361 0.000 2.465 55 S HA 0.022 4.511 4.470 0.032 0.000 0.307 55 S C 0.205 174.817 174.600 0.021 0.000 1.187 55 S CA -0.361 57.789 58.200 -0.083 0.000 1.141 55 S CB -1.107 62.118 63.200 0.042 0.000 1.108 55 S HN 0.385 nan 8.310 nan 0.000 0.525 56 R N 1.549 121.988 120.500 -0.102 0.000 3.146 56 R HA -0.104 4.255 4.340 0.032 0.000 0.250 56 R C -2.590 173.645 176.300 -0.109 0.000 0.912 56 R CA 0.320 56.352 56.100 -0.113 0.000 0.633 56 R CB -2.921 27.342 30.300 -0.062 0.000 1.180 56 R HN 0.526 nan 8.270 nan 0.000 0.464 57 P HA -0.031 nan 4.420 nan 0.000 0.272 57 P C 1.516 178.573 177.300 -0.406 0.000 1.240 57 P CA -0.429 62.422 63.100 -0.415 0.000 0.791 57 P CB 0.239 31.137 31.700 -1.337 0.000 0.978 58 W N 2.462 123.703 121.300 -0.099 0.000 2.388 58 W HA -0.106 4.575 4.660 0.034 0.000 0.294 58 W C 1.822 178.496 176.519 0.258 0.000 1.212 58 W CA 0.804 58.199 57.345 0.082 0.000 1.271 58 W CB -1.877 27.757 29.460 0.291 0.000 1.126 58 W HN 0.450 nan 8.180 nan 0.000 0.535 59 W N 3.550 124.466 121.300 -0.640 0.000 2.721 59 W HA -0.064 4.614 4.660 0.030 0.000 0.245 59 W C 1.634 178.166 176.519 0.022 0.000 1.276 59 W CA 1.057 58.151 57.345 -0.419 0.000 1.342 59 W CB -1.446 27.385 29.460 -1.049 0.000 1.135 59 W HN 0.250 nan 8.180 nan 0.000 0.654 60 E N 1.928 122.101 120.200 -0.046 0.000 2.265 60 E HA -0.185 4.184 4.350 0.032 0.000 0.196 60 E C 1.721 178.407 176.600 0.144 0.000 0.996 60 E CA 0.928 57.351 56.400 0.037 0.000 0.832 60 E CB -0.575 29.023 29.700 -0.170 0.000 0.756 60 E HN 0.258 nan 8.360 nan 0.000 0.491 61 R N -0.405 120.194 120.500 0.165 0.000 2.328 61 R HA -0.001 4.358 4.340 0.032 0.000 0.200 61 R C 0.166 176.414 176.300 -0.088 0.000 0.983 61 R CA 0.464 56.593 56.100 0.048 0.000 1.062 61 R CB -0.020 30.290 30.300 0.016 0.000 0.956 61 R HN 0.334 nan 8.270 nan 0.000 0.479 62 Y N -0.089 120.384 120.300 0.287 0.000 2.681 62 Y HA 0.233 4.801 4.550 0.029 0.000 0.267 62 Y C 0.108 176.206 175.900 0.331 0.000 1.166 62 Y CA -0.184 58.122 58.100 0.343 0.000 1.209 62 Y CB 0.802 39.496 38.460 0.391 0.000 1.161 62 Y HN -0.090 nan 8.280 nan 0.000 0.534 63 Q N 1.257 121.229 119.800 0.287 0.000 2.907 63 Q HA 0.280 4.639 4.340 0.032 0.000 0.262 63 Q C -2.732 173.352 176.000 0.140 0.000 0.997 63 Q CA -2.070 53.866 55.803 0.222 0.000 0.797 63 Q CB 1.418 30.265 28.738 0.181 0.000 1.228 63 Q HN 0.066 nan 8.270 nan 0.000 0.466 64 P HA -0.081 nan 4.420 nan 0.000 0.269 64 P C 0.390 177.657 177.300 -0.055 0.000 1.209 64 P CA 0.150 63.247 63.100 -0.005 0.000 0.776 64 P CB 0.954 32.635 31.700 -0.033 0.000 0.876 65 V N -0.603 119.272 119.914 -0.065 0.000 3.485 65 V HA 0.367 4.506 4.120 0.032 0.000 0.280 65 V C 0.226 176.295 176.094 -0.041 0.000 1.495 65 V CA 0.770 63.110 62.300 0.066 0.000 1.018 65 V CB -0.147 31.756 31.823 0.134 0.000 0.818 65 V HN 0.684 nan 8.190 nan 0.000 0.436 66 S N -1.204 114.328 115.700 -0.279 0.000 2.656 66 S HA 0.557 5.046 4.470 0.032 0.000 0.265 66 S C -0.933 173.299 174.600 -0.614 0.000 1.132 66 S CA -0.201 57.728 58.200 -0.451 0.000 0.819 66 S CB 0.669 63.769 63.200 -0.167 0.000 1.119 66 S HN 0.106 nan 8.310 nan 0.000 0.476 67 Y N 0.901 121.063 120.300 -0.231 0.000 2.607 67 Y HA 0.461 5.031 4.550 0.033 0.000 0.266 67 Y C 0.629 176.418 175.900 -0.186 0.000 1.178 67 Y CA -0.893 56.959 58.100 -0.413 0.000 1.226 67 Y CB -0.125 38.003 38.460 -0.553 0.000 1.144 67 Y HN 0.409 nan 8.280 nan 0.000 0.528 68 K N 0.852 121.248 120.400 -0.007 0.000 2.448 68 K HA 0.094 4.433 4.320 0.032 0.000 0.278 68 K C -0.306 176.327 176.600 0.055 0.000 1.009 68 K CA -0.323 55.988 56.287 0.040 0.000 0.995 68 K CB 0.705 33.222 32.500 0.028 0.000 0.917 68 K HN -0.009 nan 8.250 nan 0.000 0.481 69 L N 4.049 125.317 121.223 0.076 0.000 2.437 69 L HA 0.055 4.414 4.340 0.032 0.000 0.243 69 L C -0.529 176.413 176.870 0.119 0.000 1.346 69 L CA 0.355 55.230 54.840 0.059 0.000 1.233 69 L CB -0.435 41.616 42.059 -0.013 0.000 1.436 69 L HN 0.590 nan 8.230 nan 0.000 0.416 70 c N 1.485 120.150 118.600 0.108 0.000 2.522 70 c HA 0.822 5.411 4.570 0.032 0.000 0.344 70 c C 0.227 174.358 174.090 0.067 0.000 1.104 70 c CA 0.205 56.596 56.329 0.103 0.000 1.317 70 c CB 0.214 42.767 42.510 0.072 0.000 1.896 70 c HN 0.824 nan 8.230 nan 0.000 0.443 71 T N 2.448 117.029 114.554 0.046 0.000 2.647 71 T HA 0.482 4.851 4.350 0.032 0.000 0.295 71 T C 0.753 175.386 174.700 -0.113 0.000 1.126 71 T CA -0.674 61.411 62.100 -0.026 0.000 1.040 71 T CB 0.978 69.837 68.868 -0.014 0.000 1.472 71 T HN 0.555 nan 8.240 nan 0.000 0.500 72 R N 0.087 120.503 120.500 -0.140 0.000 2.285 72 R HA 0.131 4.490 4.340 0.032 0.000 0.213 72 R C 2.168 178.294 176.300 -0.290 0.000 1.068 72 R CA 0.892 56.892 56.100 -0.167 0.000 1.004 72 R CB -0.307 29.914 30.300 -0.132 0.000 0.873 72 R HN 0.520 nan 8.270 nan 0.000 0.467 73 S N -0.711 114.687 115.700 -0.504 0.000 2.446 73 S HA 0.176 4.665 4.470 0.032 0.000 0.225 73 S C 0.667 174.648 174.600 -1.032 0.000 1.016 73 S CA 0.790 58.404 58.200 -0.977 0.000 0.943 73 S CB 0.699 62.728 63.200 -1.952 0.000 0.786 73 S HN 0.613 nan 8.310 nan 0.000 0.508 74 G N 0.526 108.940 108.800 -0.643 0.000 2.356 74 G HA2 0.117 4.095 3.960 0.032 0.000 0.300 74 G HA3 0.117 4.095 3.960 0.032 0.000 0.300 74 G C -1.466 173.533 174.900 0.165 0.000 1.331 74 G CA -1.084 43.908 45.100 -0.179 0.000 0.905 74 G HN 0.343 nan 8.290 nan 0.000 0.587 75 N N -0.500 118.347 118.700 0.244 0.000 2.366 75 N HA 0.345 5.104 4.740 0.032 0.000 0.277 75 N C 1.185 176.907 175.510 0.353 0.000 1.275 75 N CA -0.110 53.083 53.050 0.239 0.000 0.964 75 N CB 1.266 39.852 38.487 0.165 0.000 1.167 75 N HN 0.740 nan 8.380 nan 0.000 0.568 76 E N 0.524 120.873 120.200 0.249 0.000 2.072 76 E HA -0.226 4.143 4.350 0.032 0.000 0.190 76 E C 1.332 178.087 176.600 0.259 0.000 0.982 76 E CA 1.110 57.660 56.400 0.251 0.000 0.803 76 E CB -0.051 29.749 29.700 0.166 0.000 0.755 76 E HN 0.640 nan 8.360 nan 0.000 0.453 77 N N 0.770 119.587 118.700 0.195 0.000 2.331 77 N HA -0.191 4.568 4.740 0.032 0.000 0.180 77 N C 1.317 176.923 175.510 0.161 0.000 1.019 77 N CA 1.206 54.347 53.050 0.153 0.000 0.881 77 N CB -0.302 38.254 38.487 0.115 0.000 0.972 77 N HN 0.332 nan 8.380 nan 0.000 0.435 78 E N -0.330 120.007 120.200 0.228 0.000 2.072 78 E HA -0.091 4.278 4.350 0.032 0.000 0.190 78 E C 1.493 178.240 176.600 0.246 0.000 0.982 78 E CA 0.675 57.229 56.400 0.256 0.000 0.803 78 E CB -0.265 29.638 29.700 0.338 0.000 0.755 78 E HN 0.321 nan 8.360 nan 0.000 0.453 79 F N 1.963 121.987 119.950 0.124 0.000 2.134 79 F HA -0.129 4.415 4.527 0.029 0.000 0.299 79 F C 2.234 177.914 175.800 -0.199 0.000 1.097 79 F CA 1.445 59.265 58.000 -0.300 0.000 1.264 79 F CB 0.074 38.873 39.000 -0.335 0.000 1.001 79 F HN -0.212 nan 8.300 nan 0.000 0.479 80 R N 0.017 120.523 120.500 0.011 0.000 2.073 80 R HA -0.203 4.156 4.340 0.032 0.000 0.234 80 R C 2.009 178.237 176.300 -0.120 0.000 1.134 80 R CA 1.818 57.888 56.100 -0.050 0.000 0.952 80 R CB -0.837 29.514 30.300 0.085 0.000 0.850 80 R HN 0.336 nan 8.270 nan 0.000 0.433 81 D N 0.459 120.828 120.400 -0.051 0.000 2.123 81 D HA -0.223 4.436 4.640 0.032 0.000 0.196 81 D C 1.907 178.135 176.300 -0.120 0.000 0.992 81 D CA 1.361 55.337 54.000 -0.041 0.000 0.833 81 D CB 0.024 40.834 40.800 0.016 0.000 0.954 81 D HN 0.117 nan 8.370 nan 0.000 0.455 82 M N -0.387 119.090 119.600 -0.204 0.000 2.086 82 M HA -0.151 4.348 4.480 0.032 0.000 0.261 82 M C 1.804 177.867 176.300 -0.395 0.000 1.067 82 M CA 1.274 56.410 55.300 -0.275 0.000 1.116 82 M CB -0.021 32.373 32.600 -0.343 0.000 1.348 82 M HN -0.000 nan 8.290 nan 0.000 0.407 83 V N 0.377 119.958 119.914 -0.554 0.000 2.427 83 V HA -0.228 3.911 4.120 0.032 0.000 0.248 83 V C 2.259 178.035 176.094 -0.529 0.000 1.051 83 V CA 2.187 64.141 62.300 -0.576 0.000 1.048 83 V CB -1.023 30.440 31.823 -0.600 0.000 0.666 83 V HN 0.582 nan 8.190 nan 0.000 0.456 84 T N -0.385 113.974 114.554 -0.324 0.000 2.737 84 T HA -0.156 4.213 4.350 0.032 0.000 0.265 84 T C 2.072 176.665 174.700 -0.179 0.000 1.038 84 T CA 1.333 63.329 62.100 -0.173 0.000 1.144 84 T CB -0.209 68.704 68.868 0.075 0.000 0.866 84 T HN 0.384 nan 8.240 nan 0.000 0.434 85 R N -0.049 120.363 120.500 -0.148 0.000 2.148 85 R HA 0.019 4.378 4.340 0.032 0.000 0.227 85 R C 2.552 178.758 176.300 -0.156 0.000 1.103 85 R CA 0.918 56.954 56.100 -0.107 0.000 0.983 85 R CB -0.462 29.798 30.300 -0.067 0.000 0.874 85 R HN 0.387 nan 8.270 nan 0.000 0.451 86 c N 0.079 118.530 118.600 -0.249 0.000 2.505 86 c HA 0.088 4.677 4.570 0.032 0.000 0.279 86 c C 2.224 176.119 174.090 -0.325 0.000 1.316 86 c CA 0.054 56.234 56.329 -0.248 0.000 1.720 86 c CB -0.711 41.636 42.510 -0.272 0.000 2.050 86 c HN 0.506 nan 8.230 nan 0.000 0.493 87 N N 1.894 120.261 118.700 -0.556 0.000 2.120 87 N HA -0.104 4.655 4.740 0.032 0.000 0.188 87 N C 1.279 176.489 175.510 -0.499 0.000 1.024 87 N CA 1.185 53.744 53.050 -0.818 0.000 0.852 87 N CB -0.597 36.745 38.487 -1.908 0.000 1.003 87 N HN 0.496 nan 8.380 nan 0.000 0.424 88 N N 0.543 119.090 118.700 -0.255 0.000 2.364 88 N HA -0.095 4.664 4.740 0.032 0.000 0.183 88 N C 1.306 176.807 175.510 -0.015 0.000 1.022 88 N CA 0.603 53.672 53.050 0.032 0.000 0.883 88 N CB 0.010 38.550 38.487 0.088 0.000 0.965 88 N HN 0.253 nan 8.380 nan 0.000 0.438 89 V N -4.368 115.501 119.914 -0.074 0.000 3.177 89 V HA 0.565 4.704 4.120 0.032 0.000 0.342 89 V C 1.070 177.134 176.094 -0.051 0.000 1.379 89 V CA 0.033 62.308 62.300 -0.042 0.000 1.191 89 V CB -0.066 31.740 31.823 -0.029 0.000 1.167 89 V HN 0.169 nan 8.190 nan 0.000 0.471 90 G N 0.180 108.925 108.800 -0.092 0.000 2.147 90 G HA2 -0.191 3.788 3.960 0.032 0.000 0.244 90 G HA3 -0.191 3.788 3.960 0.032 0.000 0.244 90 G C -0.051 174.801 174.900 -0.079 0.000 1.005 90 G CA 0.180 45.228 45.100 -0.086 0.000 0.713 90 G HN 0.948 nan 8.290 nan 0.000 0.515 91 V N 2.436 122.278 119.914 -0.119 0.000 2.378 91 V HA 0.510 4.649 4.120 0.032 0.000 0.288 91 V C 0.721 176.712 176.094 -0.172 0.000 1.016 91 V CA -1.280 60.971 62.300 -0.082 0.000 0.840 91 V CB 1.362 33.151 31.823 -0.057 0.000 0.994 91 V HN 0.394 nan 8.190 nan 0.000 0.431 92 R N 4.443 124.865 120.500 -0.130 0.000 2.637 92 R HA 0.515 4.874 4.340 0.032 0.000 0.269 92 R C -0.764 175.280 176.300 -0.427 0.000 1.089 92 R CA -0.531 55.397 56.100 -0.287 0.000 1.177 92 R CB 0.994 31.137 30.300 -0.262 0.000 1.091 92 R HN 0.389 nan 8.270 nan 0.000 0.540 93 I N 2.090 122.291 120.570 -0.615 0.000 2.433 93 I HA 0.304 4.493 4.170 0.032 0.000 0.292 93 I C -0.714 174.966 176.117 -0.728 0.000 1.001 93 I CA -1.002 59.984 61.300 -0.524 0.000 1.119 93 I CB 1.183 38.916 38.000 -0.444 0.000 1.289 93 I HN 0.463 nan 8.210 nan 0.000 0.438 94 Y N 4.601 124.888 120.300 -0.022 0.000 2.350 94 Y HA 0.483 5.070 4.550 0.061 0.000 0.338 94 Y C 0.203 176.101 175.900 -0.002 0.000 0.961 94 Y CA -0.953 57.133 58.100 -0.025 0.000 1.100 94 Y CB 1.973 40.558 38.460 0.208 0.000 1.179 94 Y HN 0.181 nan 8.280 nan 0.000 0.454 95 V N 2.904 122.819 119.914 0.003 0.000 2.607 95 V HA 0.095 4.234 4.120 0.032 0.000 0.289 95 V C -0.185 176.028 176.094 0.199 0.000 1.053 95 V CA -0.560 61.820 62.300 0.133 0.000 0.996 95 V CB 1.443 33.353 31.823 0.146 0.000 0.995 95 V HN 0.676 nan 8.190 nan 0.000 0.476 96 D N 3.938 124.473 120.400 0.225 0.000 2.365 96 D HA 0.371 5.030 4.640 0.032 0.000 0.237 96 D C 0.013 176.431 176.300 0.196 0.000 1.190 96 D CA -0.168 53.952 54.000 0.198 0.000 0.867 96 D CB 1.270 42.230 40.800 0.267 0.000 1.050 96 D HN 0.671 nan 8.370 nan 0.000 0.491 97 A N 4.294 127.199 122.820 0.142 0.000 2.316 97 A HA 0.405 4.744 4.320 0.032 0.000 0.311 97 A C -0.196 177.439 177.584 0.085 0.000 1.339 97 A CA -0.679 51.423 52.037 0.107 0.000 0.960 97 A CB 0.517 19.475 19.000 -0.070 0.000 1.152 97 A HN 0.398 nan 8.150 nan 0.000 0.547 98 V N 5.975 125.960 119.914 0.118 0.000 2.284 98 V HA 0.122 4.261 4.120 0.032 0.000 0.260 98 V C 0.813 176.888 176.094 -0.031 0.000 1.084 98 V CA -0.115 62.209 62.300 0.039 0.000 0.894 98 V CB 0.314 32.180 31.823 0.072 0.000 1.119 98 V HN 0.869 nan 8.190 nan 0.000 0.484 99 I N 2.302 122.819 120.570 -0.088 0.000 4.240 99 I HA 0.240 4.429 4.170 0.032 0.000 0.331 99 I C 1.250 177.307 176.117 -0.099 0.000 1.381 99 I CA 0.520 61.780 61.300 -0.067 0.000 1.136 99 I CB -0.465 37.493 38.000 -0.070 0.000 1.137 99 I HN 0.495 nan 8.210 nan 0.000 0.411 100 N N 1.644 120.231 118.700 -0.188 0.000 2.416 100 N HA -0.071 4.688 4.740 0.032 0.000 0.177 100 N C 0.218 175.721 175.510 -0.013 0.000 1.036 100 N CA 1.025 54.032 53.050 -0.072 0.000 0.901 100 N CB 0.007 38.511 38.487 0.028 0.000 0.976 100 N HN 0.748 nan 8.380 nan 0.000 0.444 101 H N -3.937 115.177 119.070 0.073 0.000 2.990 101 H HA 0.509 5.084 4.556 0.032 0.000 0.336 101 H C -0.644 174.709 175.328 0.042 0.000 1.306 101 H CA -1.060 55.029 56.048 0.069 0.000 1.118 101 H CB 0.493 30.290 29.762 0.058 0.000 1.856 101 H HN -0.265 nan 8.280 nan 0.000 0.538 102 M N 0.392 120.125 119.600 0.222 0.000 2.492 102 M HA 0.395 4.894 4.480 0.032 0.000 0.238 102 M C 0.784 177.165 176.300 0.135 0.000 0.928 102 M CA -0.913 54.389 55.300 0.002 0.000 1.392 102 M CB 0.708 33.060 32.600 -0.413 0.000 1.317 102 M HN 0.979 nan 8.290 nan 0.000 0.739 103 C N -0.047 119.321 119.300 0.113 0.000 2.640 103 C HA 0.668 5.146 4.460 0.032 0.000 0.330 103 C C 1.032 176.067 174.990 0.075 0.000 1.416 103 C CA -0.942 58.159 59.018 0.138 0.000 2.396 103 C CB -1.024 26.822 27.740 0.177 0.000 2.330 103 C HN 0.853 nan 8.230 nan 0.000 0.704 104 G N 0.875 109.695 108.800 0.034 0.000 2.380 104 G HA2 0.368 4.347 3.960 0.032 0.000 0.242 104 G HA3 0.368 4.347 3.960 0.032 0.000 0.242 104 G C 0.941 175.822 174.900 -0.031 0.000 1.298 104 G CA 0.375 45.461 45.100 -0.023 0.000 0.878 104 G HN 1.496 nan 8.290 nan 0.000 0.542 105 S N 1.412 117.071 115.700 -0.069 0.000 2.442 105 S HA -0.060 4.429 4.470 0.032 0.000 0.236 105 S C 1.960 176.508 174.600 -0.087 0.000 1.007 105 S CA 1.003 59.145 58.200 -0.096 0.000 0.965 105 S CB 0.071 63.205 63.200 -0.110 0.000 0.773 105 S HN 0.878 nan 8.310 nan 0.000 0.504 106 G N 0.638 109.397 108.800 -0.069 0.000 3.371 106 G HA2 0.581 4.560 3.960 0.032 0.000 0.248 106 G HA3 0.581 4.560 3.960 0.032 0.000 0.248 106 G C 0.287 175.152 174.900 -0.058 0.000 1.161 106 G CA 0.035 45.097 45.100 -0.064 0.000 0.796 106 G HN 0.752 nan 8.290 nan 0.000 0.539 107 A N 0.153 122.938 122.820 -0.058 0.000 2.332 107 A HA 0.756 5.095 4.320 0.032 0.000 0.258 107 A C 0.856 178.391 177.584 -0.082 0.000 1.087 107 A CA 0.249 52.253 52.037 -0.055 0.000 0.802 107 A CB 0.446 19.422 19.000 -0.039 0.000 1.042 107 A HN 0.879 nan 8.150 nan 0.000 0.489 108 A N 0.310 123.084 122.820 -0.077 0.000 2.351 108 A HA 0.591 4.930 4.320 0.032 0.000 0.257 108 A C 0.752 178.258 177.584 -0.129 0.000 1.087 108 A CA 0.199 52.185 52.037 -0.085 0.000 0.798 108 A CB -0.148 18.814 19.000 -0.062 0.000 1.033 108 A HN 2.096 nan 8.150 nan 0.000 0.488 109 A N 0.367 123.110 122.820 -0.127 0.000 2.351 109 A HA 0.749 5.088 4.320 0.032 0.000 0.257 109 A C 0.873 178.364 177.584 -0.156 0.000 1.087 109 A CA 0.591 52.509 52.037 -0.197 0.000 0.798 109 A CB 0.066 19.014 19.000 -0.087 0.000 1.033 109 A HN 2.758 nan 8.150 nan 0.000 0.488 110 G N -0.685 107.923 108.800 -0.319 0.000 2.302 110 G HA2 0.340 4.319 3.960 0.032 0.000 0.276 110 G HA3 0.340 4.319 3.960 0.032 0.000 0.276 110 G C 0.102 174.933 174.900 -0.114 0.000 1.316 110 G CA 0.516 45.583 45.100 -0.055 0.000 0.988 110 G HN 1.729 nan 8.290 nan 0.000 0.479 111 T N -1.907 112.665 114.554 0.031 0.000 3.215 111 T HA 0.501 4.870 4.350 0.032 0.000 0.271 111 T C 1.260 175.958 174.700 -0.003 0.000 1.012 111 T CA 1.122 63.241 62.100 0.031 0.000 0.899 111 T CB 0.684 69.606 68.868 0.089 0.000 1.089 111 T HN 1.767 nan 8.240 nan 0.000 0.552 112 G N 2.755 111.538 108.800 -0.029 0.000 2.924 112 G HA2 0.418 4.397 3.960 0.032 0.000 0.273 112 G HA3 0.418 4.397 3.960 0.032 0.000 0.273 112 G C 0.204 175.087 174.900 -0.028 0.000 0.734 112 G CA -0.122 44.962 45.100 -0.028 0.000 2.065 112 G HN 0.673 nan 8.290 nan 0.000 0.580 113 T N -2.810 111.735 114.554 -0.015 0.000 2.906 113 T HA 0.473 4.842 4.350 0.032 0.000 0.295 113 T C 1.477 176.174 174.700 -0.005 0.000 1.075 113 T CA 0.132 62.227 62.100 -0.008 0.000 1.005 113 T CB 1.579 70.448 68.868 0.001 0.000 1.136 113 T HN 0.215 nan 8.240 nan 0.000 0.498 114 T N -2.183 112.367 114.554 -0.006 0.000 2.849 114 T HA -0.119 4.250 4.350 0.032 0.000 0.270 114 T C 1.435 176.136 174.700 0.002 0.000 1.066 114 T CA 1.114 63.209 62.100 -0.008 0.000 1.130 114 T CB -0.679 68.182 68.868 -0.012 0.000 0.864 114 T HN 0.683 nan 8.240 nan 0.000 0.481 115 c N 1.070 119.676 118.600 0.011 0.000 3.115 115 c HA 0.693 5.282 4.570 0.032 0.000 0.277 115 c C 1.956 176.062 174.090 0.026 0.000 1.460 115 c CA -0.303 56.039 56.329 0.021 0.000 1.789 115 c CB -1.250 41.276 42.510 0.027 0.000 2.674 115 c HN 0.945 nan 8.230 nan 0.000 0.582 116 G N 1.888 110.702 108.800 0.023 0.000 2.155 116 G HA2 -0.226 3.753 3.960 0.032 0.000 0.257 116 G HA3 -0.226 3.753 3.960 0.032 0.000 0.257 116 G C 0.234 175.165 174.900 0.052 0.000 0.983 116 G CA 0.692 45.812 45.100 0.033 0.000 0.676 116 G HN 0.592 nan 8.290 nan 0.000 0.528 117 S N -0.683 115.046 115.700 0.048 0.000 2.576 117 S HA 0.501 4.990 4.470 0.032 0.000 0.276 117 S C 0.017 174.670 174.600 0.089 0.000 1.339 117 S CA -0.382 57.861 58.200 0.072 0.000 1.039 117 S CB 1.006 64.240 63.200 0.057 0.000 0.902 117 S HN 0.527 nan 8.310 nan 0.000 0.516 118 Y N 1.811 122.111 120.300 0.000 0.000 2.354 118 Y HA 0.538 5.107 4.550 0.032 0.000 0.322 118 Y C 0.100 175.973 175.900 -0.044 0.000 1.253 118 Y CA -0.807 57.279 58.100 -0.024 0.000 1.272 118 Y CB 0.679 39.120 38.460 -0.032 0.000 1.255 118 Y HN 0.900 nan 8.280 nan 0.000 0.500 119 C N 3.751 122.365 119.300 -1.143 0.000 3.302 119 C HA 0.477 4.956 4.460 0.032 0.000 0.347 119 C C -1.756 172.569 174.990 -1.108 0.000 1.218 119 C CA -1.138 57.339 59.018 -0.902 0.000 1.234 119 C CB 1.276 28.692 27.740 -0.540 0.000 1.551 119 C HN 0.918 nan 8.230 nan 0.000 0.501 120 N N 2.025 120.252 118.700 -0.789 0.000 2.716 120 N HA 0.444 5.203 4.740 0.032 0.000 0.253 120 N C -2.049 173.174 175.510 -0.478 0.000 1.170 120 N CA -1.699 51.056 53.050 -0.492 0.000 0.807 120 N CB 1.761 40.124 38.487 -0.208 0.000 1.183 120 N HN 0.488 nan 8.380 nan 0.000 0.524 121 P HA -0.078 nan 4.420 nan 0.000 0.214 121 P C 1.352 178.511 177.300 -0.234 0.000 1.163 121 P CA 1.498 64.416 63.100 -0.303 0.000 0.889 121 P CB 0.116 31.718 31.700 -0.164 0.000 0.790 122 G N -1.014 107.676 108.800 -0.183 0.000 2.503 122 G HA2 -0.260 3.719 3.960 0.032 0.000 0.221 122 G HA3 -0.260 3.719 3.960 0.032 0.000 0.221 122 G C 1.398 176.214 174.900 -0.139 0.000 1.131 122 G CA 1.191 46.208 45.100 -0.138 0.000 0.756 122 G HN 0.277 nan 8.290 nan 0.000 0.572 123 S N -0.521 115.084 115.700 -0.158 0.000 2.568 123 S HA 0.292 4.781 4.470 0.032 0.000 0.232 123 S C 0.722 175.239 174.600 -0.138 0.000 0.975 123 S CA -0.420 57.702 58.200 -0.130 0.000 0.949 123 S CB 0.360 63.499 63.200 -0.102 0.000 0.829 123 S HN 0.327 nan 8.310 nan 0.000 0.479 124 R N 1.961 122.340 120.500 -0.202 0.000 3.525 124 R HA -0.140 4.219 4.340 0.032 0.000 0.276 124 R C -0.920 175.403 176.300 0.039 0.000 1.116 124 R CA 0.490 56.521 56.100 -0.115 0.000 0.745 124 R CB -2.440 27.851 30.300 -0.014 0.000 1.185 124 R HN 0.523 nan 8.270 nan 0.000 0.454 125 E N 0.159 120.178 120.200 -0.301 0.000 2.109 125 E HA 0.319 4.688 4.350 0.032 0.000 0.278 125 E C -0.521 175.765 176.600 -0.524 0.000 0.954 125 E CA -0.323 55.949 56.400 -0.214 0.000 0.779 125 E CB 0.570 30.202 29.700 -0.113 0.000 1.093 125 E HN 0.080 nan 8.360 nan 0.000 0.401 126 F N 3.989 124.045 119.950 0.177 0.000 2.710 126 F HA 0.209 4.756 4.527 0.033 0.000 0.345 126 F C -1.575 174.297 175.800 0.120 0.000 1.362 126 F CA -1.654 56.432 58.000 0.143 0.000 1.175 126 F CB 1.238 40.373 39.000 0.225 0.000 1.561 126 F HN 0.355 nan 8.300 nan 0.000 0.593 127 P HA -0.249 nan 4.420 nan 0.000 0.218 127 P C 1.347 178.720 177.300 0.122 0.000 1.146 127 P CA 1.569 64.767 63.100 0.162 0.000 0.813 127 P CB 0.336 32.125 31.700 0.147 0.000 0.778 128 A N -0.766 122.123 122.820 0.115 0.000 2.209 128 A HA 0.057 4.396 4.320 0.032 0.000 0.212 128 A C 2.211 179.787 177.584 -0.013 0.000 1.158 128 A CA 0.755 52.824 52.037 0.053 0.000 0.742 128 A CB -1.007 18.021 19.000 0.047 0.000 0.790 128 A HN 0.104 nan 8.150 nan 0.000 0.472 129 V N 0.429 120.314 119.914 -0.049 0.000 2.403 129 V HA 0.056 4.195 4.120 0.032 0.000 0.239 129 V C -1.441 174.579 176.094 -0.124 0.000 1.041 129 V CA 1.123 63.296 62.300 -0.212 0.000 1.051 129 V CB -0.758 30.717 31.823 -0.580 0.000 0.704 129 V HN 0.509 nan 8.190 nan 0.000 0.472 130 P HA 0.432 nan 4.420 nan 0.000 0.296 130 P C -2.053 175.330 177.300 0.138 0.000 1.310 130 P CA -0.309 62.830 63.100 0.065 0.000 0.900 130 P CB 1.797 33.583 31.700 0.142 0.000 1.111 131 Y N -0.488 119.998 120.300 0.311 0.000 2.446 131 Y HA 0.466 5.035 4.550 0.031 0.000 0.345 131 Y C 0.694 176.790 175.900 0.326 0.000 0.984 131 Y CA -0.302 57.997 58.100 0.330 0.000 1.058 131 Y CB 2.460 41.070 38.460 0.250 0.000 1.220 131 Y HN 0.308 nan 8.280 nan 0.000 0.455 132 S N 0.202 116.159 115.700 0.429 0.000 2.759 132 S HA 0.629 5.118 4.470 0.032 0.000 0.310 132 S C 0.934 175.612 174.600 0.130 0.000 1.123 132 S CA -0.253 57.988 58.200 0.067 0.000 0.959 132 S CB 1.542 64.427 63.200 -0.525 0.000 1.172 132 S HN 0.789 nan 8.310 nan 0.000 0.539 133 A N 0.450 123.215 122.820 -0.093 0.000 1.978 133 A HA -0.106 4.233 4.320 0.032 0.000 0.220 133 A C 1.471 179.188 177.584 0.222 0.000 1.170 133 A CA 1.646 53.752 52.037 0.115 0.000 0.636 133 A CB -0.888 18.078 19.000 -0.058 0.000 0.810 133 A HN 0.920 nan 8.150 nan 0.000 0.448 134 W N -0.314 121.082 121.300 0.161 0.000 3.204 134 W HA 0.295 4.973 4.660 0.031 0.000 0.249 134 W C -0.335 176.217 176.519 0.054 0.000 1.322 134 W CA -0.245 57.157 57.345 0.095 0.000 1.593 134 W CB -0.719 28.769 29.460 0.046 0.000 1.122 134 W HN 0.203 nan 8.180 nan 0.000 0.710 135 D N -0.315 120.288 120.400 0.340 0.000 2.395 135 D HA 0.112 4.771 4.640 0.032 0.000 0.213 135 D C -0.583 175.441 176.300 -0.461 0.000 1.110 135 D CA 0.206 54.198 54.000 -0.012 0.000 0.835 135 D CB -0.049 40.727 40.800 -0.040 0.000 0.965 135 D HN 0.025 nan 8.370 nan 0.000 0.505 136 F N 0.218 120.228 119.950 0.099 0.000 2.579 136 F HA 0.312 4.858 4.527 0.031 0.000 0.324 136 F C 1.499 177.346 175.800 0.078 0.000 1.058 136 F CA -1.038 56.992 58.000 0.049 0.000 0.944 136 F CB 1.061 40.086 39.000 0.041 0.000 1.245 136 F HN -0.376 nan 8.300 nan 0.000 0.477 137 N N 0.757 119.617 118.700 0.267 0.000 2.396 137 N HA -0.108 4.651 4.740 0.032 0.000 0.180 137 N C 0.848 176.455 175.510 0.161 0.000 1.028 137 N CA 1.003 54.166 53.050 0.188 0.000 0.893 137 N CB -0.381 38.211 38.487 0.174 0.000 0.967 137 N HN 0.709 nan 8.380 nan 0.000 0.440 138 D N 0.108 120.604 120.400 0.160 0.000 6.235 138 D HA -0.276 4.383 4.640 0.032 0.000 0.293 138 D C 1.719 178.071 176.300 0.087 0.000 1.817 138 D CA 2.204 56.267 54.000 0.103 0.000 0.850 138 D CB -0.871 39.984 40.800 0.092 0.000 0.721 138 D HN 0.430 nan 8.370 nan 0.000 0.899 139 G N -0.356 108.502 108.800 0.097 0.000 2.403 139 G HA2 -0.255 3.724 3.960 0.032 0.000 0.216 139 G HA3 -0.255 3.724 3.960 0.032 0.000 0.216 139 G C 1.308 176.255 174.900 0.079 0.000 1.154 139 G CA 0.770 45.917 45.100 0.079 0.000 0.784 139 G HN 0.274 nan 8.290 nan 0.000 0.538 140 K N -0.295 120.164 120.400 0.098 0.000 2.209 140 K HA -0.075 4.264 4.320 0.032 0.000 0.204 140 K C 0.971 177.640 176.600 0.116 0.000 1.048 140 K CA 0.333 56.685 56.287 0.108 0.000 0.940 140 K CB -0.323 32.257 32.500 0.133 0.000 0.729 140 K HN 0.323 nan 8.250 nan 0.000 0.451 141 c N 1.631 120.294 118.600 0.105 0.000 2.644 141 c HA 0.185 4.774 4.570 0.032 0.000 0.417 141 c C 0.697 174.828 174.090 0.067 0.000 1.304 141 c CA -0.275 56.111 56.329 0.095 0.000 2.035 141 c CB 0.047 42.603 42.510 0.076 0.000 2.673 141 c HN 0.431 nan 8.230 nan 0.000 0.602 142 K N 2.425 122.862 120.400 0.061 0.000 2.413 142 K HA 0.127 4.466 4.320 0.032 0.000 0.204 142 K C 0.739 177.353 176.600 0.024 0.000 1.041 142 K CA 0.030 56.338 56.287 0.037 0.000 1.082 142 K CB 0.468 32.984 32.500 0.027 0.000 0.871 142 K HN 0.881 nan 8.250 nan 0.000 0.535 143 T N -2.181 112.387 114.554 0.024 0.000 2.868 143 T HA 0.341 4.710 4.350 0.032 0.000 0.292 143 T C 1.445 176.150 174.700 0.008 0.000 1.028 143 T CA -0.264 61.843 62.100 0.012 0.000 1.059 143 T CB 1.749 70.620 68.868 0.005 0.000 0.991 143 T HN 0.050 nan 8.240 nan 0.000 0.531 144 A N 1.791 124.613 122.820 0.003 0.000 1.902 144 A HA -0.019 4.320 4.320 0.032 0.000 0.217 144 A C 2.574 180.157 177.584 -0.002 0.000 1.181 144 A CA 1.831 53.869 52.037 0.001 0.000 0.623 144 A CB -1.296 17.703 19.000 -0.001 0.000 0.818 144 A HN 1.209 nan 8.150 nan 0.000 0.443 145 S N -1.923 113.774 115.700 -0.005 0.000 2.562 145 S HA 0.340 4.829 4.470 0.032 0.000 0.221 145 S C 1.535 176.129 174.600 -0.011 0.000 0.975 145 S CA 1.159 59.353 58.200 -0.010 0.000 0.918 145 S CB -0.327 62.865 63.200 -0.013 0.000 0.772 145 S HN 1.954 nan 8.310 nan 0.000 0.531 146 G N 0.145 108.943 108.800 -0.003 0.000 2.184 146 G HA2 -0.131 3.848 3.960 0.032 0.000 0.264 146 G HA3 -0.131 3.848 3.960 0.032 0.000 0.264 146 G C 0.393 175.289 174.900 -0.006 0.000 0.975 146 G CA 0.069 45.170 45.100 0.001 0.000 0.642 146 G HN 1.161 nan 8.290 nan 0.000 0.536 147 G N -0.915 107.875 108.800 -0.016 0.000 2.552 147 G HA2 0.667 4.646 3.960 0.032 0.000 0.324 147 G HA3 0.667 4.646 3.960 0.032 0.000 0.324 147 G C -0.383 174.496 174.900 -0.035 0.000 1.217 147 G CA -0.964 44.119 45.100 -0.029 0.000 0.989 147 G HN 0.425 nan 8.290 nan 0.000 0.490 148 I N 0.374 120.910 120.570 -0.057 0.000 2.452 148 I HA 0.171 4.360 4.170 0.032 0.000 0.287 148 I C 1.009 177.084 176.117 -0.070 0.000 1.079 148 I CA 0.432 61.668 61.300 -0.107 0.000 1.387 148 I CB 1.308 39.188 38.000 -0.200 0.000 1.404 148 I HN 0.704 nan 8.210 nan 0.000 0.522 149 E N 2.306 122.468 120.200 -0.064 0.000 2.485 149 E HA 0.177 4.546 4.350 0.032 0.000 0.213 149 E C 0.026 176.630 176.600 0.007 0.000 0.923 149 E CA 0.020 56.412 56.400 -0.014 0.000 1.054 149 E CB 0.732 30.428 29.700 -0.007 0.000 1.077 149 E HN 0.473 nan 8.360 nan 0.000 0.509 150 S N -0.509 115.167 115.700 -0.039 0.000 2.649 150 S HA 0.241 4.730 4.470 0.032 0.000 0.274 150 S C -0.985 173.583 174.600 -0.054 0.000 1.176 150 S CA -0.602 57.607 58.200 0.015 0.000 0.988 150 S CB 0.390 63.603 63.200 0.022 0.000 1.071 150 S HN 0.172 nan 8.310 nan 0.000 0.478 151 Y N 3.368 123.671 120.300 0.005 0.000 2.462 151 Y HA 0.273 4.841 4.550 0.031 0.000 0.293 151 Y C 1.781 177.676 175.900 -0.009 0.000 1.195 151 Y CA -0.036 58.058 58.100 -0.010 0.000 1.276 151 Y CB 0.190 38.637 38.460 -0.021 0.000 1.082 151 Y HN 0.602 nan 8.280 nan 0.000 0.514 152 N N -0.091 118.668 118.700 0.098 0.000 2.336 152 N HA -0.045 4.713 4.740 0.032 0.000 0.189 152 N C -0.469 175.075 175.510 0.057 0.000 1.113 152 N CA 0.504 53.597 53.050 0.072 0.000 0.858 152 N CB 0.306 38.831 38.487 0.062 0.000 0.970 152 N HN 0.265 nan 8.380 nan 0.000 0.471 153 D N 0.230 120.655 120.400 0.041 0.000 2.453 153 D HA 0.291 4.950 4.640 0.032 0.000 0.238 153 D C -1.944 174.383 176.300 0.044 0.000 1.088 153 D CA -2.181 51.865 54.000 0.077 0.000 0.854 153 D CB 2.013 42.862 40.800 0.081 0.000 1.076 153 D HN -0.158 nan 8.370 nan 0.000 0.533 154 P HA -0.167 nan 4.420 nan 0.000 0.216 154 P C 0.813 177.985 177.300 -0.213 0.000 1.153 154 P CA 1.158 64.162 63.100 -0.160 0.000 0.858 154 P CB 0.037 31.613 31.700 -0.206 0.000 0.789 155 Y N 0.555 120.888 120.300 0.055 0.000 2.114 155 Y HA -0.277 4.293 4.550 0.034 0.000 0.282 155 Y C 2.698 178.646 175.900 0.080 0.000 1.165 155 Y CA 1.903 60.125 58.100 0.202 0.000 1.148 155 Y CB -1.565 37.039 38.460 0.240 0.000 0.972 155 Y HN 0.160 nan 8.280 nan 0.000 0.504 156 Q N -0.608 119.284 119.800 0.154 0.000 2.230 156 Q HA -0.093 4.266 4.340 0.032 0.000 0.202 156 Q C 2.173 178.145 176.000 -0.047 0.000 0.963 156 Q CA 1.475 57.309 55.803 0.052 0.000 0.866 156 Q CB -0.805 27.940 28.738 0.011 0.000 0.931 156 Q HN 0.390 nan 8.270 nan 0.000 0.452 157 V N 0.700 120.526 119.914 -0.147 0.000 2.970 157 V HA -0.072 4.067 4.120 0.032 0.000 0.260 157 V C 1.598 177.642 176.094 -0.084 0.000 1.100 157 V CA 1.398 63.578 62.300 -0.200 0.000 1.122 157 V CB -0.216 31.386 31.823 -0.369 0.000 0.721 157 V HN 0.337 nan 8.190 nan 0.000 0.483 158 R N -1.055 119.344 120.500 -0.168 0.000 2.344 158 R HA 0.179 4.538 4.340 0.032 0.000 0.209 158 R C 1.051 177.375 176.300 0.040 0.000 0.886 158 R CA 0.685 56.660 56.100 -0.208 0.000 1.040 158 R CB 0.266 30.063 30.300 -0.838 0.000 1.114 158 R HN 0.422 nan 8.270 nan 0.000 0.547 159 D N -0.817 119.657 120.400 0.124 0.000 2.449 159 D HA 0.114 4.773 4.640 0.032 0.000 0.210 159 D C 0.183 176.562 176.300 0.132 0.000 1.094 159 D CA 0.218 54.337 54.000 0.197 0.000 0.846 159 D CB 0.532 41.500 40.800 0.281 0.000 1.003 159 D HN 0.060 nan 8.370 nan 0.000 0.504 160 c N 0.731 119.381 118.600 0.083 0.000 2.423 160 c HA 0.435 5.024 4.570 0.032 0.000 0.378 160 c C 0.357 174.462 174.090 0.025 0.000 1.244 160 c CA -0.884 55.474 56.329 0.048 0.000 1.978 160 c CB 1.268 43.789 42.510 0.019 0.000 2.252 160 c HN 0.100 nan 8.230 nan 0.000 0.526 161 Q N 1.166 120.965 119.800 -0.002 0.000 2.307 161 Q HA 0.296 4.655 4.340 0.032 0.000 0.259 161 Q C -0.533 175.415 176.000 -0.086 0.000 0.998 161 Q CA 0.077 55.858 55.803 -0.036 0.000 0.923 161 Q CB 0.621 29.334 28.738 -0.042 0.000 1.196 161 Q HN 0.552 nan 8.270 nan 0.000 0.416 162 L N 4.648 125.781 121.223 -0.149 0.000 2.418 162 L HA -0.013 4.346 4.340 0.032 0.000 0.274 162 L C 0.550 177.302 176.870 -0.196 0.000 1.135 162 L CA -0.128 54.575 54.840 -0.228 0.000 0.870 162 L CB 0.409 42.198 42.059 -0.450 0.000 1.154 162 L HN 0.782 nan 8.230 nan 0.000 0.462 163 V N 2.539 122.367 119.914 -0.144 0.000 4.931 163 V HA -0.294 3.845 4.120 0.032 0.000 0.254 163 V C 1.061 177.064 176.094 -0.151 0.000 0.620 163 V CA 1.012 63.223 62.300 -0.148 0.000 0.715 163 V CB -2.628 29.080 31.823 -0.193 0.000 0.589 163 V HN 1.452 nan 8.190 nan 0.000 0.982 164 G N -1.504 107.223 108.800 -0.121 0.000 2.205 164 G HA2 -0.196 3.782 3.960 0.032 0.000 0.261 164 G HA3 -0.196 3.782 3.960 0.032 0.000 0.261 164 G C -0.067 174.766 174.900 -0.113 0.000 0.980 164 G CA -0.009 45.028 45.100 -0.106 0.000 0.632 164 G HN 1.281 nan 8.290 nan 0.000 0.533 165 L N 1.315 122.446 121.223 -0.153 0.000 2.462 165 L HA 0.316 4.675 4.340 0.032 0.000 0.272 165 L C 1.416 178.245 176.870 -0.069 0.000 1.166 165 L CA -0.141 54.604 54.840 -0.159 0.000 0.880 165 L CB 0.250 42.083 42.059 -0.376 0.000 1.142 165 L HN 0.184 nan 8.230 nan 0.000 0.473 166 L N 3.573 124.768 121.223 -0.047 0.000 2.698 166 L HA -0.050 4.309 4.340 0.032 0.000 0.272 166 L C 0.533 177.499 176.870 0.159 0.000 1.154 166 L CA 0.052 54.846 54.840 -0.077 0.000 0.964 166 L CB -0.293 41.562 42.059 -0.341 0.000 1.272 166 L HN 0.558 nan 8.230 nan 0.000 0.483 167 D N 3.064 123.574 120.400 0.185 0.000 2.383 167 D HA 0.213 4.872 4.640 0.032 0.000 0.252 167 D C -0.343 176.169 176.300 0.354 0.000 1.166 167 D CA -0.409 53.736 54.000 0.240 0.000 0.879 167 D CB 0.854 41.750 40.800 0.161 0.000 1.164 167 D HN 0.146 nan 8.370 nan 0.000 0.462 168 L N 3.456 124.796 121.223 0.195 0.000 2.380 168 L HA 0.380 4.739 4.340 0.032 0.000 0.273 168 L C 0.166 177.023 176.870 -0.021 0.000 1.138 168 L CA -0.251 54.549 54.840 -0.067 0.000 0.832 168 L CB 0.854 42.802 42.059 -0.185 0.000 1.124 168 L HN 0.554 nan 8.230 nan 0.000 0.454 169 A N 6.263 129.030 122.820 -0.088 0.000 3.026 169 A HA 0.212 4.551 4.320 0.032 0.000 0.272 169 A C 1.104 178.701 177.584 0.022 0.000 1.782 169 A CA -0.200 51.849 52.037 0.019 0.000 1.451 169 A CB -1.065 17.958 19.000 0.038 0.000 1.081 169 A HN 0.844 nan 8.150 nan 0.000 0.611 170 L N 0.563 121.816 121.223 0.049 0.000 2.642 170 L HA -0.116 4.243 4.340 0.032 0.000 0.236 170 L C 2.351 179.258 176.870 0.061 0.000 1.169 170 L CA 0.803 55.675 54.840 0.053 0.000 0.851 170 L CB -0.224 41.880 42.059 0.075 0.000 0.968 170 L HN 0.805 nan 8.230 nan 0.000 0.453 171 E N 0.662 120.898 120.200 0.060 0.000 2.250 171 E HA -0.065 4.303 4.350 0.032 0.000 0.192 171 E C 0.399 177.013 176.600 0.024 0.000 0.986 171 E CA 0.180 56.599 56.400 0.031 0.000 0.849 171 E CB 0.016 29.721 29.700 0.007 0.000 0.797 171 E HN 0.349 nan 8.360 nan 0.000 0.482 172 K N 1.641 122.064 120.400 0.040 0.000 2.368 172 K HA 0.013 4.352 4.320 0.032 0.000 0.282 172 K C 0.300 176.934 176.600 0.058 0.000 1.035 172 K CA 0.296 56.615 56.287 0.052 0.000 0.973 172 K CB 0.975 33.525 32.500 0.084 0.000 0.957 172 K HN -0.057 nan 8.250 nan 0.000 0.474 173 D N 1.972 122.403 120.400 0.051 0.000 2.144 173 D HA -0.241 4.418 4.640 0.032 0.000 0.199 173 D C 1.503 177.835 176.300 0.054 0.000 0.984 173 D CA 1.347 55.370 54.000 0.038 0.000 0.834 173 D CB 0.019 40.838 40.800 0.031 0.000 0.955 173 D HN 0.628 nan 8.370 nan 0.000 0.465 174 Y N 0.327 120.628 120.300 0.002 0.000 2.165 174 Y HA -0.215 4.355 4.550 0.033 0.000 0.286 174 Y C 2.035 177.977 175.900 0.070 0.000 1.155 174 Y CA 1.514 59.628 58.100 0.024 0.000 1.164 174 Y CB -0.406 38.065 38.460 0.019 0.000 0.978 174 Y HN -0.052 nan 8.280 nan 0.000 0.513 175 V N 0.136 120.097 119.914 0.078 0.000 2.323 175 V HA -0.257 3.882 4.120 0.032 0.000 0.244 175 V C 2.345 178.429 176.094 -0.018 0.000 1.041 175 V CA 2.190 64.534 62.300 0.073 0.000 1.025 175 V CB -0.590 31.282 31.823 0.082 0.000 0.656 175 V HN 0.238 nan 8.190 nan 0.000 0.451 176 R N 0.268 120.751 120.500 -0.028 0.000 2.081 176 R HA -0.112 4.247 4.340 0.032 0.000 0.235 176 R C 2.585 178.824 176.300 -0.101 0.000 1.131 176 R CA 1.700 57.767 56.100 -0.054 0.000 0.960 176 R CB -0.586 29.694 30.300 -0.033 0.000 0.856 176 R HN 0.423 nan 8.270 nan 0.000 0.436 177 S N 0.217 115.846 115.700 -0.118 0.000 2.399 177 S HA -0.144 4.345 4.470 0.032 0.000 0.231 177 S C 1.716 176.197 174.600 -0.198 0.000 1.022 177 S CA 1.212 59.325 58.200 -0.145 0.000 0.983 177 S CB -0.120 63.002 63.200 -0.129 0.000 0.803 177 S HN 0.178 nan 8.310 nan 0.000 0.480 178 M N 1.381 120.823 119.600 -0.264 0.000 2.200 178 M HA 0.143 4.642 4.480 0.032 0.000 0.265 178 M C 1.593 177.757 176.300 -0.228 0.000 1.066 178 M CA 1.375 56.514 55.300 -0.268 0.000 1.127 178 M CB -0.402 31.995 32.600 -0.339 0.000 1.379 178 M HN 0.239 nan 8.290 nan 0.000 0.420 179 I N -0.505 119.945 120.570 -0.201 0.000 2.286 179 I HA -0.200 3.989 4.170 0.032 0.000 0.245 179 I C 2.366 178.325 176.117 -0.264 0.000 1.104 179 I CA 1.039 62.175 61.300 -0.275 0.000 1.397 179 I CB -0.853 37.041 38.000 -0.178 0.000 1.072 179 I HN 0.327 nan 8.210 nan 0.000 0.417 180 A N 0.753 123.438 122.820 -0.225 0.000 1.940 180 A HA -0.258 4.081 4.320 0.032 0.000 0.219 180 A C 1.907 179.341 177.584 -0.250 0.000 1.176 180 A CA 2.145 54.036 52.037 -0.244 0.000 0.631 180 A CB -0.626 18.260 19.000 -0.190 0.000 0.814 180 A HN 0.343 nan 8.150 nan 0.000 0.446 181 D N -1.651 118.631 120.400 -0.195 0.000 2.123 181 D HA -0.190 4.469 4.640 0.032 0.000 0.196 181 D C 1.664 177.897 176.300 -0.112 0.000 0.992 181 D CA 1.701 55.613 54.000 -0.146 0.000 0.833 181 D CB -0.485 40.254 40.800 -0.103 0.000 0.954 181 D HN 0.732 nan 8.370 nan 0.000 0.455 182 Y N 1.052 121.169 120.300 -0.305 0.000 2.114 182 Y HA -0.156 4.414 4.550 0.033 0.000 0.284 182 Y C 2.178 177.934 175.900 -0.240 0.000 1.143 182 Y CA 1.171 59.086 58.100 -0.310 0.000 1.135 182 Y CB -0.166 37.917 38.460 -0.627 0.000 0.980 182 Y HN -0.101 nan 8.280 nan 0.000 0.499 183 L N 0.508 121.395 121.223 -0.561 0.000 2.141 183 L HA -0.212 4.147 4.340 0.032 0.000 0.209 183 L C 2.034 178.744 176.870 -0.267 0.000 1.094 183 L CA 0.914 55.362 54.840 -0.654 0.000 0.763 183 L CB -0.654 40.870 42.059 -0.892 0.000 0.908 183 L HN 0.336 nan 8.230 nan 0.000 0.437 184 N N 0.496 119.028 118.700 -0.280 0.000 2.188 184 N HA -0.178 4.581 4.740 0.032 0.000 0.184 184 N C 1.788 177.232 175.510 -0.111 0.000 1.018 184 N CA 1.048 53.932 53.050 -0.276 0.000 0.858 184 N CB -0.088 38.043 38.487 -0.593 0.000 0.989 184 N HN 0.323 nan 8.380 nan 0.000 0.426 185 K N 0.536 120.886 120.400 -0.084 0.000 2.063 185 K HA -0.111 4.227 4.320 0.032 0.000 0.208 185 K C 1.692 178.311 176.600 0.032 0.000 1.048 185 K CA 0.842 57.132 56.287 0.005 0.000 0.928 185 K CB -0.027 32.490 32.500 0.030 0.000 0.713 185 K HN -0.063 nan 8.250 nan 0.000 0.442 186 L N 1.668 122.881 121.223 -0.018 0.000 2.017 186 L HA -0.193 4.166 4.340 0.032 0.000 0.208 186 L C 2.318 179.231 176.870 0.072 0.000 1.073 186 L CA 1.404 56.270 54.840 0.043 0.000 0.745 186 L CB -0.830 41.244 42.059 0.026 0.000 0.894 186 L HN 0.273 nan 8.230 nan 0.000 0.432 187 I N -0.154 120.468 120.570 0.087 0.000 2.163 187 I HA -0.305 3.884 4.170 0.032 0.000 0.243 187 I C 2.130 178.306 176.117 0.099 0.000 1.085 187 I CA 1.461 62.799 61.300 0.063 0.000 1.347 187 I CB -1.215 36.835 38.000 0.083 0.000 1.044 187 I HN 0.268 nan 8.210 nan 0.000 0.408 188 D N 0.733 121.206 120.400 0.121 0.000 2.178 188 D HA -0.145 4.513 4.640 0.032 0.000 0.201 188 D C 2.036 178.433 176.300 0.162 0.000 0.980 188 D CA 0.893 54.983 54.000 0.149 0.000 0.842 188 D CB -0.142 40.746 40.800 0.147 0.000 0.948 188 D HN 0.210 nan 8.370 nan 0.000 0.472 189 I N -0.717 119.942 120.570 0.148 0.000 2.493 189 I HA 0.034 4.223 4.170 0.032 0.000 0.254 189 I C 2.055 178.273 176.117 0.169 0.000 1.160 189 I CA 1.121 62.516 61.300 0.159 0.000 1.445 189 I CB -0.370 37.739 38.000 0.181 0.000 1.086 189 I HN 0.201 nan 8.210 nan 0.000 0.433 190 G N -1.239 107.650 108.800 0.149 0.000 2.672 190 G HA2 -0.150 3.829 3.960 0.032 0.000 0.197 190 G HA3 -0.150 3.829 3.960 0.032 0.000 0.197 190 G C 0.306 175.191 174.900 -0.025 0.000 0.995 190 G CA -0.101 45.084 45.100 0.141 0.000 0.754 190 G HN 0.043 nan 8.290 nan 0.000 0.505 191 V N 1.754 121.595 119.914 -0.123 0.000 2.752 191 V HA 0.294 4.433 4.120 0.032 0.000 0.306 191 V C 1.841 177.737 176.094 -0.329 0.000 1.099 191 V CA 1.473 63.602 62.300 -0.285 0.000 1.240 191 V CB 1.292 32.913 31.823 -0.338 0.000 0.887 191 V HN 0.886 nan 8.190 nan 0.000 0.499 192 A N 3.460 126.023 122.820 -0.428 0.000 2.095 192 A HA 0.598 4.937 4.320 0.032 0.000 0.212 192 A C 1.003 178.447 177.584 -0.233 0.000 1.162 192 A CA 0.979 52.794 52.037 -0.370 0.000 0.753 192 A CB 0.015 18.863 19.000 -0.252 0.000 0.840 192 A HN 1.323 nan 8.150 nan 0.000 0.468 193 G N -2.271 106.337 108.800 -0.321 0.000 2.430 193 G HA2 0.496 4.475 3.960 0.032 0.000 0.300 193 G HA3 0.496 4.475 3.960 0.032 0.000 0.300 193 G C -1.480 173.089 174.900 -0.552 0.000 1.330 193 G CA -0.713 44.285 45.100 -0.171 0.000 0.813 193 G HN 0.175 nan 8.290 nan 0.000 0.487 194 F N -0.672 119.241 119.950 -0.062 0.000 2.613 194 F HA 0.744 5.288 4.527 0.028 0.000 0.314 194 F C 0.284 175.568 175.800 -0.860 0.000 1.075 194 F CA -0.932 56.896 58.000 -0.287 0.000 0.945 194 F CB 2.436 41.285 39.000 -0.251 0.000 1.310 194 F HN 0.449 nan 8.300 nan 0.000 0.467 195 R N 2.251 122.345 120.500 -0.677 0.000 2.255 195 R HA 0.519 4.878 4.340 0.032 0.000 0.326 195 R C -1.305 174.763 176.300 -0.386 0.000 0.986 195 R CA -0.597 54.833 56.100 -1.117 0.000 0.847 195 R CB 0.624 30.547 30.300 -0.629 0.000 1.111 195 R HN 0.530 nan 8.270 nan 0.000 0.452 196 I N 4.828 125.208 120.570 -0.316 0.000 2.294 196 I HA 0.048 4.237 4.170 0.032 0.000 0.295 196 I C 0.534 176.626 176.117 -0.041 0.000 1.098 196 I CA -0.326 60.890 61.300 -0.140 0.000 1.277 196 I CB 0.287 38.211 38.000 -0.128 0.000 1.434 196 I HN 0.654 nan 8.210 nan 0.000 0.498 197 D N 6.352 126.776 120.400 0.040 0.000 2.455 197 D HA 0.083 4.742 4.640 0.032 0.000 0.241 197 D C 0.706 177.083 176.300 0.128 0.000 1.138 197 D CA 0.388 54.478 54.000 0.149 0.000 0.877 197 D CB 1.040 42.012 40.800 0.286 0.000 1.187 197 D HN 0.746 nan 8.370 nan 0.000 0.451 198 A N 3.374 126.295 122.820 0.169 0.000 2.687 198 A HA -0.212 4.127 4.320 0.032 0.000 0.299 198 A C 1.635 179.294 177.584 0.124 0.000 1.497 198 A CA 1.052 53.222 52.037 0.222 0.000 0.751 198 A CB -1.972 17.222 19.000 0.324 0.000 1.048 198 A HN 0.540 nan 8.150 nan 0.000 0.464 199 S N -0.518 115.165 115.700 -0.029 0.000 2.399 199 S HA -0.180 4.309 4.470 0.032 0.000 0.231 199 S C 1.824 176.273 174.600 -0.252 0.000 1.022 199 S CA 1.487 59.584 58.200 -0.170 0.000 0.983 199 S CB -0.156 62.827 63.200 -0.361 0.000 0.803 199 S HN 0.857 nan 8.310 nan 0.000 0.480 200 K N 0.765 120.993 120.400 -0.286 0.000 2.113 200 K HA -0.202 4.137 4.320 0.032 0.000 0.208 200 K C 1.090 177.501 176.600 -0.315 0.000 1.047 200 K CA 1.598 57.701 56.287 -0.307 0.000 0.928 200 K CB -0.182 32.101 32.500 -0.362 0.000 0.716 200 K HN 0.486 nan 8.250 nan 0.000 0.446 201 H N -0.792 118.254 119.070 -0.040 0.000 2.547 201 H HA 0.190 4.765 4.556 0.032 0.000 0.274 201 H C -0.237 175.038 175.328 -0.088 0.000 1.024 201 H CA 0.155 56.168 56.048 -0.058 0.000 1.155 201 H CB 0.061 29.834 29.762 0.019 0.000 1.344 201 H HN 0.077 nan 8.280 nan 0.000 0.598 202 M N -0.796 118.794 119.600 -0.016 0.000 2.591 202 M HA 0.240 4.739 4.480 0.032 0.000 0.306 202 M C -1.163 175.106 176.300 -0.053 0.000 1.190 202 M CA -0.885 54.417 55.300 0.002 0.000 0.889 202 M CB 2.255 34.913 32.600 0.097 0.000 1.728 202 M HN 0.099 nan 8.290 nan 0.000 0.458 203 W N 1.658 122.994 121.300 0.060 0.000 2.238 203 W HA 0.276 4.956 4.660 0.032 0.000 0.321 203 W C -1.823 174.695 176.519 -0.003 0.000 1.293 203 W CA -0.986 56.351 57.345 -0.014 0.000 1.204 203 W CB -0.187 29.238 29.460 -0.058 0.000 1.167 203 W HN 0.468 nan 8.180 nan 0.000 0.553 204 P HA -0.209 nan 4.420 nan 0.000 0.216 204 P C 1.718 179.059 177.300 0.068 0.000 1.150 204 P CA 2.453 65.530 63.100 -0.039 0.000 0.843 204 P CB 0.117 31.615 31.700 -0.337 0.000 0.787 205 G N -0.366 108.490 108.800 0.094 0.000 2.422 205 G HA2 -0.232 3.747 3.960 0.032 0.000 0.218 205 G HA3 -0.232 3.747 3.960 0.032 0.000 0.218 205 G C 1.223 176.163 174.900 0.067 0.000 1.146 205 G CA 0.826 45.962 45.100 0.060 0.000 0.769 205 G HN 0.185 nan 8.290 nan 0.000 0.547 206 D N 0.610 121.081 120.400 0.118 0.000 2.144 206 D HA -0.069 4.590 4.640 0.032 0.000 0.200 206 D C 2.576 178.914 176.300 0.064 0.000 0.978 206 D CA 0.267 54.323 54.000 0.093 0.000 0.833 206 D CB -0.029 40.859 40.800 0.146 0.000 0.961 206 D HN 0.195 nan 8.370 nan 0.000 0.470 207 I N 0.945 121.567 120.570 0.087 0.000 2.142 207 I HA -0.225 3.964 4.170 0.032 0.000 0.240 207 I C 2.313 178.443 176.117 0.022 0.000 1.078 207 I CA 0.999 62.334 61.300 0.057 0.000 1.343 207 I CB -0.985 37.083 38.000 0.113 0.000 1.046 207 I HN -0.056 nan 8.210 nan 0.000 0.405 208 K N 1.514 121.935 120.400 0.036 0.000 2.020 208 K HA -0.152 4.187 4.320 0.032 0.000 0.212 208 K C 2.172 178.771 176.600 -0.002 0.000 1.050 208 K CA 1.950 58.247 56.287 0.017 0.000 0.929 208 K CB -0.654 31.860 32.500 0.024 0.000 0.714 208 K HN 0.287 nan 8.250 nan 0.000 0.443 209 A N -0.102 122.719 122.820 0.002 0.000 1.892 209 A HA -0.189 4.150 4.320 0.032 0.000 0.218 209 A C 2.379 179.946 177.584 -0.028 0.000 1.188 209 A CA 2.273 54.304 52.037 -0.009 0.000 0.631 209 A CB -0.969 18.030 19.000 -0.002 0.000 0.822 209 A HN 0.142 nan 8.150 nan 0.000 0.447 210 V N -0.584 119.306 119.914 -0.040 0.000 2.307 210 V HA -0.200 3.939 4.120 0.032 0.000 0.245 210 V C 2.495 178.531 176.094 -0.097 0.000 1.045 210 V CA 1.778 64.031 62.300 -0.079 0.000 1.024 210 V CB -0.777 30.986 31.823 -0.098 0.000 0.651 210 V HN 0.469 nan 8.190 nan 0.000 0.449 211 L N 0.346 121.520 121.223 -0.082 0.000 2.042 211 L HA -0.193 4.166 4.340 0.032 0.000 0.210 211 L C 2.146 178.983 176.870 -0.056 0.000 1.076 211 L CA 1.912 56.703 54.840 -0.082 0.000 0.749 211 L CB -1.133 40.890 42.059 -0.060 0.000 0.893 211 L HN 0.379 nan 8.230 nan 0.000 0.432 212 D N -0.607 119.771 120.400 -0.037 0.000 2.351 212 D HA -0.157 4.502 4.640 0.032 0.000 0.216 212 D C 1.820 178.110 176.300 -0.016 0.000 0.968 212 D CA 0.762 54.750 54.000 -0.020 0.000 0.899 212 D CB 0.021 40.815 40.800 -0.011 0.000 0.907 212 D HN 0.391 nan 8.370 nan 0.000 0.514 213 K N -0.048 120.330 120.400 -0.038 0.000 2.426 213 K HA 0.146 4.485 4.320 0.032 0.000 0.193 213 K C 0.708 177.281 176.600 -0.046 0.000 1.028 213 K CA -0.065 56.201 56.287 -0.035 0.000 1.047 213 K CB 0.569 33.030 32.500 -0.065 0.000 0.821 213 K HN 0.079 nan 8.250 nan 0.000 0.513 214 L N 1.654 122.841 121.223 -0.060 0.000 2.397 214 L HA 0.118 4.477 4.340 0.032 0.000 0.271 214 L C 0.590 177.495 176.870 0.058 0.000 1.148 214 L CA -0.266 54.530 54.840 -0.072 0.000 0.825 214 L CB 0.334 42.352 42.059 -0.068 0.000 1.117 214 L HN 0.219 nan 8.230 nan 0.000 0.456 215 H N 1.399 120.460 119.070 -0.016 0.000 2.660 215 H HA 0.115 4.690 4.556 0.031 0.000 0.374 215 H C -0.099 175.222 175.328 -0.012 0.000 1.291 215 H CA -0.969 55.073 56.048 -0.009 0.000 1.437 215 H CB 0.672 30.433 29.762 -0.001 0.000 1.509 215 H HN 0.539 nan 8.280 nan 0.000 0.614 216 N N 0.650 119.419 118.700 0.115 0.000 2.424 216 N HA 0.076 4.835 4.740 0.032 0.000 0.257 216 N C -0.052 175.474 175.510 0.028 0.000 1.250 216 N CA -0.311 52.763 53.050 0.039 0.000 0.946 216 N CB 0.658 39.156 38.487 0.018 0.000 1.175 216 N HN 0.310 nan 8.380 nan 0.000 0.477 217 L N 1.020 122.209 121.223 -0.055 0.000 2.482 217 L HA 0.034 4.392 4.340 0.032 0.000 0.273 217 L C 1.257 178.180 176.870 0.088 0.000 1.228 217 L CA -0.283 54.488 54.840 -0.114 0.000 0.827 217 L CB 0.091 41.809 42.059 -0.568 0.000 1.099 217 L HN 0.472 nan 8.230 nan 0.000 0.494 218 N N 1.336 120.168 118.700 0.220 0.000 2.423 218 N HA -0.072 4.687 4.740 0.032 0.000 0.275 218 N C 1.029 176.716 175.510 0.294 0.000 1.283 218 N CA 0.236 53.451 53.050 0.275 0.000 0.932 218 N CB 0.897 39.623 38.487 0.398 0.000 1.185 218 N HN 0.674 nan 8.380 nan 0.000 0.483 219 T N 0.581 115.209 114.554 0.123 0.000 3.139 219 T HA -0.055 4.314 4.350 0.032 0.000 0.267 219 T C 1.198 175.857 174.700 -0.070 0.000 1.164 219 T CA 0.532 62.671 62.100 0.065 0.000 1.075 219 T CB -0.040 68.835 68.868 0.012 0.000 0.904 219 T HN 0.395 nan 8.240 nan 0.000 0.540 220 N N 0.132 118.701 118.700 -0.219 0.000 2.331 220 N HA -0.006 4.753 4.740 0.032 0.000 0.180 220 N C 0.836 175.899 175.510 -0.745 0.000 1.019 220 N CA 0.957 53.634 53.050 -0.621 0.000 0.881 220 N CB -0.013 37.785 38.487 -1.147 0.000 0.972 220 N HN 0.656 nan 8.380 nan 0.000 0.435 221 W N -0.894 120.338 121.300 -0.114 0.000 2.661 221 W HA 0.291 4.971 4.660 0.033 0.000 0.288 221 W C -0.272 175.925 176.519 -0.538 0.000 1.014 221 W CA -0.234 56.884 57.345 -0.378 0.000 1.396 221 W CB 0.143 29.244 29.460 -0.599 0.000 0.963 221 W HN -0.185 nan 8.180 nan 0.000 0.584 222 F N 1.943 121.987 119.950 0.157 0.000 2.538 222 F HA 0.511 5.054 4.527 0.028 0.000 0.325 222 F C -1.901 173.921 175.800 0.038 0.000 1.066 222 F CA -2.772 55.281 58.000 0.089 0.000 0.946 222 F CB 0.606 39.657 39.000 0.085 0.000 1.199 222 F HN -0.442 nan 8.300 nan 0.000 0.473 223 P HA 0.219 nan 4.420 nan 0.000 0.280 223 P C 0.077 177.441 177.300 0.105 0.000 1.244 223 P CA 0.107 63.276 63.100 0.116 0.000 0.784 223 P CB 1.228 32.979 31.700 0.085 0.000 0.913 224 A N 4.431 127.289 122.820 0.064 0.000 3.692 224 A HA -0.248 4.091 4.320 0.032 0.000 0.708 224 A C 1.616 179.226 177.584 0.043 0.000 1.269 224 A CA 2.004 54.067 52.037 0.043 0.000 2.375 224 A CB -2.286 16.729 19.000 0.025 0.000 1.339 224 A HN 0.686 nan 8.150 nan 0.000 0.762 225 G N -0.264 108.552 108.800 0.027 0.000 3.100 225 G HA2 0.375 4.354 3.960 0.032 0.000 0.246 225 G HA3 0.375 4.354 3.960 0.032 0.000 0.246 225 G C 0.224 175.133 174.900 0.015 0.000 0.898 225 G CA 0.709 45.820 45.100 0.018 0.000 1.934 225 G HN 0.737 nan 8.290 nan 0.000 0.600 226 S N -0.013 115.694 115.700 0.012 0.000 2.523 226 S HA 0.424 4.913 4.470 0.032 0.000 0.275 226 S C 0.558 175.121 174.600 -0.062 0.000 1.281 226 S CA -0.501 57.688 58.200 -0.018 0.000 1.050 226 S CB 1.437 64.624 63.200 -0.023 0.000 0.937 226 S HN 0.469 nan 8.310 nan 0.000 0.492 227 R N 3.439 123.910 120.500 -0.048 0.000 2.404 227 R HA 0.434 4.793 4.340 0.032 0.000 0.291 227 R C -2.376 173.890 176.300 -0.056 0.000 1.025 227 R CA -1.841 54.235 56.100 -0.039 0.000 0.991 227 R CB 0.358 30.646 30.300 -0.020 0.000 1.053 227 R HN 0.352 nan 8.270 nan 0.000 0.479 228 P HA -0.010 nan 4.420 nan 0.000 0.272 228 P C -0.703 176.670 177.300 0.122 0.000 1.230 228 P CA -0.047 63.054 63.100 0.001 0.000 0.788 228 P CB 0.471 32.216 31.700 0.075 0.000 0.949 229 F N 2.685 122.632 119.950 -0.006 0.000 2.438 229 F HA 0.293 4.796 4.527 -0.039 0.000 0.356 229 F C -0.107 175.742 175.800 0.083 0.000 1.099 229 F CA -0.673 57.344 58.000 0.029 0.000 1.185 229 F CB 0.392 39.437 39.000 0.075 0.000 1.115 229 F HN 0.054 nan 8.300 nan 0.000 0.526 230 I N 8.570 129.010 120.570 -0.216 0.000 2.410 230 I HA 0.232 4.421 4.170 0.032 0.000 0.286 230 I C -0.935 174.929 176.117 -0.422 0.000 1.009 230 I CA -0.715 60.401 61.300 -0.306 0.000 1.111 230 I CB 1.056 38.973 38.000 -0.139 0.000 1.262 230 I HN 0.510 nan 8.210 nan 0.000 0.443 231 F N 3.915 123.530 119.950 -0.559 0.000 2.577 231 F HA 0.636 5.203 4.527 0.066 0.000 0.344 231 F C -0.303 175.391 175.800 -0.176 0.000 1.145 231 F CA -0.913 56.847 58.000 -0.401 0.000 0.996 231 F CB 0.800 39.481 39.000 -0.532 0.000 1.248 231 F HN 0.365 nan 8.300 nan 0.000 0.447 232 Q N 2.677 122.472 119.800 -0.009 0.000 2.286 232 Q HA 0.151 4.510 4.340 0.032 0.000 0.257 232 Q C -0.244 175.771 176.000 0.025 0.000 0.941 232 Q CA -0.472 55.300 55.803 -0.050 0.000 0.912 232 Q CB 1.619 30.318 28.738 -0.065 0.000 1.192 232 Q HN 0.640 nan 8.270 nan 0.000 0.410 233 E N 3.117 123.330 120.200 0.021 0.000 2.003 233 E HA 0.160 4.529 4.350 0.032 0.000 0.279 233 E C -1.430 175.208 176.600 0.064 0.000 1.132 233 E CA -0.183 56.299 56.400 0.137 0.000 0.888 233 E CB 0.551 30.349 29.700 0.164 0.000 1.056 233 E HN 0.321 nan 8.360 nan 0.000 0.399 234 V N 7.219 127.207 119.914 0.124 0.000 2.443 234 V HA 0.294 4.433 4.120 0.032 0.000 0.293 234 V C 0.149 176.318 176.094 0.126 0.000 1.021 234 V CA -0.648 61.644 62.300 -0.014 0.000 0.848 234 V CB 1.716 33.439 31.823 -0.167 0.000 0.998 234 V HN 0.603 nan 8.190 nan 0.000 0.424 235 I N 4.142 124.654 120.570 -0.096 0.000 2.256 235 I HA 0.275 4.463 4.170 0.032 0.000 0.294 235 I C -0.383 175.659 176.117 -0.125 0.000 1.127 235 I CA 0.147 61.258 61.300 -0.315 0.000 1.247 235 I CB 0.473 38.113 38.000 -0.601 0.000 1.460 235 I HN 0.584 nan 8.210 nan 0.000 0.511 236 D N 6.731 127.151 120.400 0.033 0.000 2.461 236 D HA 0.243 4.902 4.640 0.032 0.000 0.240 236 D C 0.233 176.576 176.300 0.072 0.000 1.094 236 D CA -0.369 53.656 54.000 0.041 0.000 0.868 236 D CB 1.092 41.936 40.800 0.073 0.000 1.062 236 D HN 0.207 nan 8.370 nan 0.000 0.530 237 L N 2.832 124.074 121.223 0.032 0.000 2.700 237 L HA 0.456 4.815 4.340 0.032 0.000 0.234 237 L C 1.194 178.093 176.870 0.048 0.000 1.156 237 L CA 0.410 55.283 54.840 0.055 0.000 0.946 237 L CB -0.925 41.155 42.059 0.035 0.000 1.216 237 L HN 0.717 nan 8.230 nan 0.000 0.493 238 G N -0.483 108.339 108.800 0.038 0.000 2.756 238 G HA2 0.129 4.108 3.960 0.032 0.000 0.678 238 G HA3 0.129 4.108 3.960 0.032 0.000 0.678 238 G C 0.649 175.559 174.900 0.017 0.000 1.349 238 G CA -0.334 44.786 45.100 0.033 0.000 0.847 238 G HN 0.658 nan 8.290 nan 0.000 0.548 239 G N -0.995 107.815 108.800 0.017 0.000 2.162 239 G HA2 -0.090 3.889 3.960 0.032 0.000 0.260 239 G HA3 -0.090 3.889 3.960 0.032 0.000 0.260 239 G C 0.229 175.138 174.900 0.016 0.000 0.976 239 G CA 1.794 46.901 45.100 0.013 0.000 0.655 239 G HN 1.223 nan 8.290 nan 0.000 0.533 240 E N -1.387 118.825 120.200 0.020 0.000 2.393 240 E HA 0.722 5.091 4.350 0.032 0.000 0.265 240 E C 1.333 177.954 176.600 0.036 0.000 0.941 240 E CA -0.497 55.925 56.400 0.036 0.000 0.801 240 E CB 1.354 31.076 29.700 0.037 0.000 1.313 240 E HN 0.352 nan 8.360 nan 0.000 0.435 241 A N 0.931 123.778 122.820 0.045 0.000 1.855 241 A HA -0.029 4.310 4.320 0.032 0.000 0.215 241 A C 0.942 178.530 177.584 0.007 0.000 1.191 241 A CA 1.037 53.091 52.037 0.028 0.000 0.613 241 A CB -0.449 18.569 19.000 0.029 0.000 0.829 241 A HN 0.466 nan 8.150 nan 0.000 0.442 242 I N 0.306 120.877 120.570 0.001 0.000 2.529 242 I HA 0.225 4.414 4.170 0.032 0.000 0.284 242 I C -0.036 176.094 176.117 0.021 0.000 1.082 242 I CA 0.393 61.690 61.300 -0.004 0.000 1.406 242 I CB 1.142 39.138 38.000 -0.007 0.000 1.405 242 I HN 0.169 nan 8.210 nan 0.000 0.548 243 K N 3.027 123.439 120.400 0.021 0.000 2.375 243 K HA 0.333 4.672 4.320 0.032 0.000 0.249 243 K C 0.778 177.397 176.600 0.032 0.000 0.942 243 K CA -0.530 55.765 56.287 0.013 0.000 0.806 243 K CB 1.813 34.296 32.500 -0.027 0.000 1.227 243 K HN 0.583 nan 8.250 nan 0.000 0.430 244 S N -0.178 115.537 115.700 0.026 0.000 2.399 244 S HA -0.210 4.279 4.470 0.032 0.000 0.231 244 S C 1.728 176.077 174.600 -0.418 0.000 1.022 244 S CA 1.580 59.801 58.200 0.035 0.000 0.983 244 S CB -0.552 62.740 63.200 0.154 0.000 0.803 244 S HN 0.651 nan 8.310 nan 0.000 0.480 245 S N 1.877 117.124 115.700 -0.756 0.000 2.493 245 S HA -0.111 4.378 4.470 0.032 0.000 0.243 245 S C 1.420 175.575 174.600 -0.742 0.000 0.991 245 S CA 0.994 58.348 58.200 -1.411 0.000 0.957 245 S CB -0.633 62.215 63.200 -0.586 0.000 0.756 245 S HN 0.755 nan 8.310 nan 0.000 0.521 246 E N -0.209 119.747 120.200 -0.407 0.000 2.358 246 E HA -0.006 4.363 4.350 0.032 0.000 0.195 246 E C 0.594 176.938 176.600 -0.426 0.000 1.010 246 E CA 0.774 56.946 56.400 -0.381 0.000 0.856 246 E CB -0.162 29.262 29.700 -0.461 0.000 0.795 246 E HN 0.808 nan 8.360 nan 0.000 0.504 247 Y N -1.510 118.719 120.300 -0.118 0.000 2.467 247 Y HA 0.115 4.682 4.550 0.029 0.000 0.250 247 Y C 1.211 177.256 175.900 0.242 0.000 1.155 247 Y CA -0.475 57.656 58.100 0.052 0.000 1.249 247 Y CB 0.327 38.825 38.460 0.063 0.000 1.146 247 Y HN -0.019 nan 8.280 nan 0.000 0.524 248 F N 0.200 120.286 119.950 0.227 0.000 2.250 248 F HA -0.120 4.450 4.527 0.071 0.000 0.301 248 F C 2.259 178.233 175.800 0.291 0.000 1.077 248 F CA 1.046 59.189 58.000 0.238 0.000 1.348 248 F CB -1.248 37.841 39.000 0.148 0.000 1.040 248 F HN 0.118 nan 8.300 nan 0.000 0.509 249 G N -0.707 108.319 108.800 0.376 0.000 2.598 249 G HA2 -0.182 3.797 3.960 0.032 0.000 0.215 249 G HA3 -0.182 3.797 3.960 0.032 0.000 0.215 249 G C 1.530 176.551 174.900 0.202 0.000 1.131 249 G CA 0.418 45.685 45.100 0.277 0.000 0.785 249 G HN 0.267 nan 8.290 nan 0.000 0.539 250 N N 0.223 119.038 118.700 0.192 0.000 2.388 250 N HA 0.239 4.998 4.740 0.032 0.000 0.176 250 N C 1.119 176.606 175.510 -0.039 0.000 1.062 250 N CA 0.984 54.081 53.050 0.077 0.000 0.895 250 N CB 1.157 39.715 38.487 0.119 0.000 1.018 250 N HN 0.430 nan 8.380 nan 0.000 0.456 251 G N -0.231 108.596 108.800 0.045 0.000 2.367 251 G HA2 0.164 4.143 3.960 0.032 0.000 0.272 251 G HA3 0.164 4.143 3.960 0.032 0.000 0.272 251 G C -1.326 173.758 174.900 0.306 0.000 1.271 251 G CA -0.889 44.154 45.100 -0.095 0.000 0.893 251 G HN -0.006 nan 8.290 nan 0.000 0.485 252 R N -1.238 119.408 120.500 0.243 0.000 2.580 252 R HA 0.737 5.096 4.340 0.032 0.000 0.267 252 R C -0.713 175.724 176.300 0.228 0.000 1.125 252 R CA -0.550 55.704 56.100 0.257 0.000 1.188 252 R CB 1.255 31.693 30.300 0.229 0.000 1.155 252 R HN 0.353 nan 8.270 nan 0.000 0.586 253 V N 0.002 120.055 119.914 0.232 0.000 2.971 253 V HA 0.180 4.319 4.120 0.032 0.000 0.309 253 V C -0.220 175.999 176.094 0.208 0.000 1.130 253 V CA -1.082 61.366 62.300 0.247 0.000 0.964 253 V CB 2.214 34.257 31.823 0.367 0.000 1.029 253 V HN 0.982 nan 8.190 nan 0.000 0.427 254 T N -0.067 114.619 114.554 0.219 0.000 2.799 254 T HA 0.288 4.657 4.350 0.032 0.000 0.296 254 T C -0.120 174.666 174.700 0.143 0.000 0.947 254 T CA -0.182 62.034 62.100 0.194 0.000 1.141 254 T CB 0.723 69.693 68.868 0.170 0.000 0.891 254 T HN 0.672 nan 8.240 nan 0.000 0.533 255 E N 2.944 123.130 120.200 -0.024 0.000 1.924 255 E HA 0.293 4.662 4.350 0.032 0.000 0.261 255 E C -0.301 176.124 176.600 -0.293 0.000 1.088 255 E CA -1.096 55.253 56.400 -0.085 0.000 0.909 255 E CB -0.648 28.978 29.700 -0.123 0.000 1.112 255 E HN 0.693 nan 8.360 nan 0.000 0.425 256 F N 2.382 122.283 119.950 -0.081 0.000 2.546 256 F HA -0.003 4.554 4.527 0.051 0.000 0.298 256 F C 1.762 177.478 175.800 -0.141 0.000 1.120 256 F CA 0.676 58.613 58.000 -0.105 0.000 1.456 256 F CB 0.143 39.175 39.000 0.053 0.000 1.088 256 F HN 0.373 nan 8.300 nan 0.000 0.572 257 K N -0.872 119.508 120.400 -0.032 0.000 2.148 257 K HA -0.215 4.124 4.320 0.032 0.000 0.204 257 K C 1.781 178.228 176.600 -0.255 0.000 1.050 257 K CA 1.209 57.452 56.287 -0.073 0.000 0.942 257 K CB -0.378 32.087 32.500 -0.059 0.000 0.724 257 K HN 0.252 nan 8.250 nan 0.000 0.446 258 Y N 1.276 121.133 120.300 -0.739 0.000 2.036 258 Y HA -0.230 4.361 4.550 0.068 0.000 0.273 258 Y C 2.432 178.220 175.900 -0.187 0.000 1.135 258 Y CA 2.061 59.742 58.100 -0.698 0.000 1.106 258 Y CB -0.870 37.154 38.460 -0.727 0.000 0.976 258 Y HN 0.054 nan 8.280 nan 0.000 0.483 259 G N -0.613 108.188 108.800 0.001 0.000 2.450 259 G HA2 -0.251 3.728 3.960 0.032 0.000 0.220 259 G HA3 -0.251 3.728 3.960 0.032 0.000 0.220 259 G C 1.711 176.631 174.900 0.034 0.000 1.130 259 G CA 1.024 46.136 45.100 0.021 0.000 0.760 259 G HN 0.647 nan 8.290 nan 0.000 0.557 260 A N 0.763 123.615 122.820 0.054 0.000 1.854 260 A HA 0.075 4.414 4.320 0.032 0.000 0.214 260 A C 2.396 180.034 177.584 0.091 0.000 1.192 260 A CA 1.712 53.802 52.037 0.088 0.000 0.611 260 A CB -0.251 18.820 19.000 0.119 0.000 0.832 260 A HN 0.187 nan 8.150 nan 0.000 0.442 261 K N -0.185 120.310 120.400 0.158 0.000 2.057 261 K HA -0.018 4.321 4.320 0.032 0.000 0.207 261 K C 1.940 178.570 176.600 0.050 0.000 1.049 261 K CA 0.908 57.347 56.287 0.254 0.000 0.931 261 K CB -0.690 32.146 32.500 0.560 0.000 0.714 261 K HN 0.518 nan 8.250 nan 0.000 0.440 262 L N 0.322 121.497 121.223 -0.080 0.000 2.109 262 L HA -0.083 4.276 4.340 0.032 0.000 0.207 262 L C 2.226 178.900 176.870 -0.326 0.000 1.086 262 L CA 1.370 55.964 54.840 -0.409 0.000 0.760 262 L CB -0.723 41.062 42.059 -0.456 0.000 0.910 262 L HN 0.241 nan 8.230 nan 0.000 0.437 263 G N -1.064 107.621 108.800 -0.191 0.000 2.440 263 G HA2 -0.266 3.713 3.960 0.032 0.000 0.218 263 G HA3 -0.266 3.713 3.960 0.032 0.000 0.218 263 G C 1.453 176.153 174.900 -0.333 0.000 1.154 263 G CA 1.253 46.218 45.100 -0.224 0.000 0.767 263 G HN 0.322 nan 8.290 nan 0.000 0.552 264 T N 0.776 115.200 114.554 -0.217 0.000 2.708 264 T HA -0.108 4.261 4.350 0.032 0.000 0.266 264 T C 2.552 177.128 174.700 -0.207 0.000 1.037 264 T CA 1.246 63.240 62.100 -0.178 0.000 1.146 264 T CB -0.298 68.594 68.868 0.040 0.000 0.865 264 T HN 0.058 nan 8.240 nan 0.000 0.435 265 V N 1.211 121.001 119.914 -0.207 0.000 2.261 265 V HA -0.151 3.988 4.120 0.032 0.000 0.246 265 V C 2.674 178.553 176.094 -0.359 0.000 1.047 265 V CA 1.471 63.616 62.300 -0.259 0.000 1.015 265 V CB -0.709 30.873 31.823 -0.401 0.000 0.642 265 V HN 0.303 nan 8.190 nan 0.000 0.446 266 V N -0.241 119.409 119.914 -0.441 0.000 2.490 266 V HA -0.208 3.931 4.120 0.032 0.000 0.250 266 V C 2.432 178.303 176.094 -0.372 0.000 1.061 266 V CA 1.794 63.836 62.300 -0.431 0.000 1.064 266 V CB -0.821 30.741 31.823 -0.434 0.000 0.670 266 V HN 0.472 nan 8.190 nan 0.000 0.461 267 R N -0.228 119.996 120.500 -0.461 0.000 2.276 267 R HA 0.049 4.408 4.340 0.032 0.000 0.203 267 R C 0.727 176.806 176.300 -0.368 0.000 1.017 267 R CA 0.087 55.834 56.100 -0.588 0.000 1.010 267 R CB -0.080 29.426 30.300 -1.324 0.000 0.900 267 R HN 0.405 nan 8.270 nan 0.000 0.469 268 K N -0.459 119.797 120.400 -0.239 0.000 3.096 268 K HA -0.166 4.173 4.320 0.032 0.000 0.266 268 K C -0.994 175.706 176.600 0.166 0.000 1.043 268 K CA 0.418 56.668 56.287 -0.061 0.000 0.758 268 K CB -0.862 31.600 32.500 -0.064 0.000 1.260 268 K HN 0.141 nan 8.250 nan 0.000 0.481 269 W N 0.089 121.365 121.300 -0.039 0.000 2.415 269 W HA 0.296 4.977 4.660 0.035 0.000 0.355 269 W C 1.300 177.819 176.519 -0.000 0.000 1.161 269 W CA -1.028 56.306 57.345 -0.019 0.000 1.315 269 W CB 0.798 30.249 29.460 -0.015 0.000 1.261 269 W HN 0.159 nan 8.180 nan 0.000 0.636 270 S N 0.544 116.378 115.700 0.223 0.000 3.473 270 S HA -0.130 4.359 4.470 0.032 0.000 0.339 270 S C 1.012 175.683 174.600 0.119 0.000 1.148 270 S CA 1.771 60.050 58.200 0.132 0.000 0.969 270 S CB -1.550 61.733 63.200 0.138 0.000 0.936 270 S HN 1.609 nan 8.310 nan 0.000 0.530 271 G N -0.360 108.511 108.800 0.118 0.000 2.148 271 G HA2 -0.293 3.686 3.960 0.032 0.000 0.254 271 G HA3 -0.293 3.686 3.960 0.032 0.000 0.254 271 G C -0.236 174.754 174.900 0.149 0.000 0.981 271 G CA 0.394 45.562 45.100 0.113 0.000 0.670 271 G HN 0.607 nan 8.290 nan 0.000 0.528 272 E N 0.492 120.773 120.200 0.134 0.000 2.383 272 E HA 0.433 4.802 4.350 0.032 0.000 0.264 272 E C 0.491 177.031 176.600 -0.100 0.000 1.050 272 E CA 0.365 56.846 56.400 0.135 0.000 0.896 272 E CB 0.769 30.537 29.700 0.114 0.000 0.982 272 E HN 0.502 nan 8.360 nan 0.000 0.424 273 K N 1.985 122.150 120.400 -0.393 0.000 2.422 273 K HA 0.278 4.617 4.320 0.032 0.000 0.251 273 K C 0.856 177.137 176.600 -0.531 0.000 0.933 273 K CA -0.502 55.405 56.287 -0.635 0.000 0.798 273 K CB 1.933 33.791 32.500 -1.070 0.000 1.238 273 K HN 0.332 nan 8.250 nan 0.000 0.428 274 M N 1.478 120.834 119.600 -0.407 0.000 2.279 274 M HA -0.173 4.326 4.480 0.032 0.000 0.264 274 M C 1.611 177.815 176.300 -0.161 0.000 1.062 274 M CA 1.882 56.959 55.300 -0.372 0.000 1.099 274 M CB 0.068 32.414 32.600 -0.424 0.000 1.394 274 M HN 0.744 nan 8.290 nan 0.000 0.426 275 S N -0.790 114.820 115.700 -0.151 0.000 2.469 275 S HA -0.177 4.312 4.470 0.032 0.000 0.238 275 S C 1.458 176.241 174.600 0.305 0.000 0.998 275 S CA 0.837 59.118 58.200 0.135 0.000 0.957 275 S CB -1.107 62.096 63.200 0.004 0.000 0.764 275 S HN 0.715 nan 8.310 nan 0.000 0.514 276 Y N 1.074 121.447 120.300 0.121 0.000 2.583 276 Y HA 0.270 4.838 4.550 0.029 0.000 0.293 276 Y C 1.524 177.549 175.900 0.207 0.000 1.157 276 Y CA -0.208 57.989 58.100 0.162 0.000 1.315 276 Y CB -0.240 38.344 38.460 0.207 0.000 1.021 276 Y HN 0.265 nan 8.280 nan 0.000 0.536 277 L N 0.596 121.903 121.223 0.140 0.000 2.645 277 L HA -0.043 4.316 4.340 0.032 0.000 0.235 277 L C 2.177 178.877 176.870 -0.283 0.000 1.150 277 L CA 0.401 55.146 54.840 -0.158 0.000 0.911 277 L CB -0.250 41.527 42.059 -0.470 0.000 1.077 277 L HN 0.191 nan 8.230 nan 0.000 0.438 278 K N 2.043 122.123 120.400 -0.533 0.000 2.097 278 K HA -0.171 4.168 4.320 0.032 0.000 0.206 278 K C 1.170 177.405 176.600 -0.608 0.000 1.049 278 K CA 1.745 57.282 56.287 -1.250 0.000 0.933 278 K CB 0.056 31.919 32.500 -1.060 0.000 0.717 278 K HN 0.600 nan 8.250 nan 0.000 0.442 279 N N -0.727 117.839 118.700 -0.224 0.000 2.376 279 N HA -0.029 4.730 4.740 0.032 0.000 0.249 279 N C -0.256 175.222 175.510 -0.053 0.000 1.140 279 N CA -0.730 52.251 53.050 -0.115 0.000 0.870 279 N CB -0.050 38.430 38.487 -0.012 0.000 1.124 279 N HN 0.180 nan 8.380 nan 0.000 0.505 280 W N 1.753 122.749 121.300 -0.507 0.000 2.231 280 W HA 0.247 4.932 4.660 0.041 0.000 0.341 280 W C 0.473 176.604 176.519 -0.646 0.000 1.298 280 W CA 1.767 58.592 57.345 -0.865 0.000 1.266 280 W CB 0.579 29.534 29.460 -0.842 0.000 1.172 280 W HN 0.470 nan 8.180 nan 0.000 0.568 281 G N 3.754 111.778 108.800 -1.292 0.000 2.265 281 G HA2 -0.258 3.721 3.960 0.032 0.000 0.246 281 G HA3 -0.258 3.721 3.960 0.032 0.000 0.246 281 G C 0.208 174.660 174.900 -0.747 0.000 1.299 281 G CA -0.009 44.503 45.100 -0.980 0.000 1.117 281 G HN 0.441 nan 8.290 nan 0.000 0.485 282 E N 0.338 120.412 120.200 -0.209 0.000 2.147 282 E HA -0.053 4.316 4.350 0.032 0.000 0.199 282 E C 2.594 179.091 176.600 -0.173 0.000 1.005 282 E CA 2.336 58.695 56.400 -0.068 0.000 0.810 282 E CB -0.650 29.083 29.700 0.054 0.000 0.736 282 E HN 0.939 nan 8.360 nan 0.000 0.460 283 G N -0.234 108.465 108.800 -0.168 0.000 2.507 283 G HA2 -0.260 3.719 3.960 0.032 0.000 0.221 283 G HA3 -0.260 3.719 3.960 0.032 0.000 0.221 283 G C 0.625 175.415 174.900 -0.182 0.000 1.119 283 G CA 0.809 45.833 45.100 -0.127 0.000 0.751 283 G HN 0.284 nan 8.290 nan 0.000 0.574 284 W N 0.311 121.209 121.300 -0.669 0.000 3.292 284 W HA 0.422 5.104 4.660 0.036 0.000 0.263 284 W C 1.778 177.940 176.519 -0.594 0.000 1.318 284 W CA 0.063 56.954 57.345 -0.756 0.000 1.663 284 W CB -0.069 28.629 29.460 -1.270 0.000 1.114 284 W HN 0.377 nan 8.180 nan 0.000 0.706 285 G N -1.165 107.495 108.800 -0.233 0.000 2.176 285 G HA2 -0.273 3.706 3.960 0.032 0.000 0.232 285 G HA3 -0.273 3.706 3.960 0.032 0.000 0.232 285 G C 0.339 175.342 174.900 0.171 0.000 0.986 285 G CA -0.622 44.459 45.100 -0.031 0.000 0.643 285 G HN 0.211 nan 8.290 nan 0.000 0.522 286 F N 1.656 121.565 119.950 -0.068 0.000 2.440 286 F HA 0.505 5.049 4.527 0.028 0.000 0.323 286 F C 1.836 177.690 175.800 0.090 0.000 1.192 286 F CA -0.591 57.378 58.000 -0.051 0.000 1.252 286 F CB 0.420 39.228 39.000 -0.319 0.000 1.214 286 F HN 0.258 nan 8.300 nan 0.000 0.578 287 M N 1.112 120.948 119.600 0.393 0.000 2.113 287 M HA 0.335 4.834 4.480 0.032 0.000 0.288 287 M C -2.695 173.754 176.300 0.249 0.000 1.225 287 M CA -1.578 53.929 55.300 0.346 0.000 1.148 287 M CB -0.612 32.236 32.600 0.415 0.000 1.388 287 M HN 0.084 nan 8.290 nan 0.000 0.469 288 P HA 0.034 nan 4.420 nan 0.000 0.267 288 P C 0.245 177.448 177.300 -0.163 0.000 1.209 288 P CA 0.178 63.245 63.100 -0.055 0.000 0.763 288 P CB 0.910 32.497 31.700 -0.187 0.000 0.816 289 S N 3.234 118.820 115.700 -0.189 0.000 2.380 289 S HA -0.221 4.268 4.470 0.032 0.000 0.229 289 S C 1.249 175.613 174.600 -0.394 0.000 1.043 289 S CA 2.094 59.956 58.200 -0.563 0.000 1.038 289 S CB -0.851 62.084 63.200 -0.443 0.000 0.872 289 S HN 0.622 nan 8.310 nan 0.000 0.456 290 D N -0.534 119.702 120.400 -0.274 0.000 2.338 290 D HA 0.021 4.680 4.640 0.032 0.000 0.239 290 D C 1.374 177.521 176.300 -0.256 0.000 1.095 290 D CA 0.168 54.029 54.000 -0.232 0.000 0.888 290 D CB -0.159 40.511 40.800 -0.217 0.000 0.899 290 D HN 0.286 nan 8.370 nan 0.000 0.525 291 R N -0.422 119.901 120.500 -0.296 0.000 2.517 291 R HA 0.387 4.745 4.340 0.032 0.000 0.265 291 R C 0.195 176.420 176.300 -0.124 0.000 0.921 291 R CA -0.012 55.916 56.100 -0.288 0.000 1.054 291 R CB 0.672 30.511 30.300 -0.768 0.000 1.340 291 R HN 0.181 nan 8.270 nan 0.000 0.551 292 A N 1.674 124.404 122.820 -0.151 0.000 2.310 292 A HA 0.527 4.866 4.320 0.032 0.000 0.299 292 A C -0.606 176.960 177.584 -0.030 0.000 1.147 292 A CA -0.379 51.609 52.037 -0.082 0.000 0.818 292 A CB 0.570 19.477 19.000 -0.156 0.000 1.096 292 A HN 0.154 nan 8.150 nan 0.000 0.495 293 L N 4.232 125.464 121.223 0.015 0.000 2.316 293 L HA 0.636 4.995 4.340 0.032 0.000 0.280 293 L C -0.320 176.543 176.870 -0.013 0.000 1.006 293 L CA -0.422 54.437 54.840 0.031 0.000 0.836 293 L CB 1.485 43.534 42.059 -0.016 0.000 1.221 293 L HN 0.710 nan 8.230 nan 0.000 0.418 294 V N 2.495 122.328 119.914 -0.136 0.000 2.850 294 V HA 0.854 4.993 4.120 0.032 0.000 0.315 294 V C -0.583 175.396 176.094 -0.191 0.000 1.064 294 V CA -0.604 61.449 62.300 -0.413 0.000 0.979 294 V CB 1.523 32.809 31.823 -0.895 0.000 1.039 294 V HN 0.805 nan 8.190 nan 0.000 0.452 295 F N -0.527 119.176 119.950 -0.412 0.000 2.719 295 F HA 0.742 5.273 4.527 0.007 0.000 0.309 295 F C 0.043 175.815 175.800 -0.046 0.000 1.138 295 F CA -0.930 56.946 58.000 -0.206 0.000 0.943 295 F CB 0.928 39.823 39.000 -0.175 0.000 1.304 295 F HN 0.241 nan 8.300 nan 0.000 0.445 296 V N 0.094 120.109 119.914 0.168 0.000 2.446 296 V HA 0.026 4.165 4.120 0.032 0.000 0.244 296 V C 0.148 176.398 176.094 0.260 0.000 1.039 296 V CA 1.984 64.386 62.300 0.170 0.000 1.045 296 V CB -0.535 31.359 31.823 0.118 0.000 0.681 296 V HN 0.917 nan 8.190 nan 0.000 0.459 297 D N -0.711 119.942 120.400 0.423 0.000 2.596 297 D HA 0.252 4.911 4.640 0.032 0.000 0.262 297 D C -1.052 175.490 176.300 0.404 0.000 1.210 297 D CA -0.611 53.644 54.000 0.425 0.000 0.873 297 D CB 1.730 42.737 40.800 0.346 0.000 1.408 297 D HN 0.267 nan 8.370 nan 0.000 0.441 298 N N -1.651 117.178 118.700 0.216 0.000 2.761 298 N HA 0.105 4.864 4.740 0.032 0.000 0.283 298 N C 0.757 176.194 175.510 -0.123 0.000 1.377 298 N CA -0.400 52.614 53.050 -0.060 0.000 0.791 298 N CB 0.901 39.221 38.487 -0.279 0.000 1.540 298 N HN 0.642 nan 8.380 nan 0.000 0.539 299 H N -1.652 117.270 119.070 -0.248 0.000 2.456 299 H HA 0.026 4.600 4.556 0.029 0.000 0.296 299 H C 0.866 175.869 175.328 -0.543 0.000 1.079 299 H CA 1.605 57.268 56.048 -0.640 0.000 1.322 299 H CB 0.081 29.079 29.762 -1.274 0.000 1.388 299 H HN 0.569 nan 8.280 nan 0.000 0.538 300 D N 0.720 120.640 120.400 -0.800 0.000 2.146 300 D HA -0.125 4.534 4.640 0.032 0.000 0.209 300 D C 1.519 177.759 176.300 -0.100 0.000 0.973 300 D CA 1.261 55.018 54.000 -0.405 0.000 0.860 300 D CB -0.086 40.500 40.800 -0.357 0.000 1.015 300 D HN 0.595 nan 8.370 nan 0.000 0.465 301 N N 0.883 119.582 118.700 -0.001 0.000 2.515 301 N HA -0.157 4.602 4.740 0.032 0.000 0.185 301 N C 1.532 177.114 175.510 0.120 0.000 1.109 301 N CA 0.593 53.708 53.050 0.107 0.000 0.903 301 N CB -0.726 37.886 38.487 0.208 0.000 0.969 301 N HN 0.395 nan 8.380 nan 0.000 0.450 302 Q N -0.169 119.691 119.800 0.099 0.000 2.451 302 Q HA 0.106 4.465 4.340 0.032 0.000 0.206 302 Q C 1.089 177.247 176.000 0.264 0.000 0.947 302 Q CA 0.348 56.260 55.803 0.182 0.000 0.937 302 Q CB -0.019 28.835 28.738 0.194 0.000 1.025 302 Q HN 0.239 nan 8.270 nan 0.000 0.511 303 R N 0.172 120.758 120.500 0.143 0.000 2.388 303 R HA 0.226 4.585 4.340 0.032 0.000 0.247 303 R C 0.598 176.934 176.300 0.060 0.000 0.931 303 R CA 0.394 56.586 56.100 0.152 0.000 1.082 303 R CB 0.667 30.942 30.300 -0.042 0.000 1.135 303 R HN 0.522 nan 8.270 nan 0.000 0.525 304 G N 1.611 110.471 108.800 0.100 0.000 4.315 304 G HA2 -0.404 3.575 3.960 0.032 0.000 0.280 304 G HA3 -0.404 3.575 3.960 0.032 0.000 0.280 304 G C 0.229 175.178 174.900 0.081 0.000 1.649 304 G CA 0.201 45.355 45.100 0.090 0.000 1.108 304 G HN 0.659 nan 8.290 nan 0.000 0.667 305 H N 2.883 122.054 119.070 0.169 0.000 4.196 305 H HA 0.508 5.083 4.556 0.031 0.000 0.236 305 H C 1.049 176.427 175.328 0.084 0.000 1.023 305 H CA 0.929 57.046 56.048 0.115 0.000 1.251 305 H CB -1.098 28.734 29.762 0.116 0.000 1.343 305 H HN 0.864 nan 8.280 nan 0.000 0.815 306 G N -0.697 108.247 108.800 0.240 0.000 2.782 306 G HA2 0.526 4.505 3.960 0.032 0.000 0.201 306 G HA3 0.526 4.505 3.960 0.032 0.000 0.201 306 G C -0.566 174.391 174.900 0.095 0.000 1.374 306 G CA -0.723 44.481 45.100 0.174 0.000 1.039 306 G HN 0.628 nan 8.290 nan 0.000 0.576 307 A N -0.966 121.883 122.820 0.048 0.000 2.544 307 A HA 0.555 4.894 4.320 0.032 0.000 0.301 307 A C 1.071 178.734 177.584 0.133 0.000 1.368 307 A CA 0.826 52.871 52.037 0.014 0.000 1.045 307 A CB -0.886 18.007 19.000 -0.177 0.000 1.129 307 A HN 2.273 nan 8.150 nan 0.000 0.540 308 G N 1.237 110.100 108.800 0.106 0.000 2.273 308 G HA2 0.300 4.279 3.960 0.032 0.000 0.162 308 G HA3 0.300 4.279 3.960 0.032 0.000 0.162 308 G C 1.386 176.362 174.900 0.127 0.000 1.006 308 G CA 0.565 45.740 45.100 0.125 0.000 0.704 308 G HN 2.546 nan 8.290 nan 0.000 0.487 309 G N 0.271 109.144 108.800 0.122 0.000 2.574 309 G HA2 0.004 3.983 3.960 0.032 0.000 0.282 309 G HA3 0.004 3.983 3.960 0.032 0.000 0.282 309 G C 1.446 176.431 174.900 0.143 0.000 1.257 309 G CA 2.071 47.248 45.100 0.128 0.000 0.956 309 G HN 1.974 nan 8.290 nan 0.000 0.560 310 S N -0.204 115.594 115.700 0.164 0.000 2.607 310 S HA 0.138 4.627 4.470 0.032 0.000 0.224 310 S C 2.334 177.088 174.600 0.257 0.000 0.969 310 S CA 1.556 59.876 58.200 0.200 0.000 0.927 310 S CB -0.158 63.162 63.200 0.199 0.000 0.772 310 S HN 2.058 nan 8.310 nan 0.000 0.533 311 S N 1.402 117.239 115.700 0.229 0.000 2.453 311 S HA 0.136 4.625 4.470 0.032 0.000 0.231 311 S C 0.667 175.217 174.600 -0.082 0.000 1.005 311 S CA -0.230 57.984 58.200 0.023 0.000 0.949 311 S CB -0.887 62.376 63.200 0.106 0.000 0.774 311 S HN 0.572 nan 8.310 nan 0.000 0.510 312 I N 2.556 123.150 120.570 0.039 0.000 2.598 312 I HA 0.105 4.294 4.170 0.032 0.000 0.284 312 I C 0.098 176.251 176.117 0.061 0.000 1.140 312 I CA -0.081 61.260 61.300 0.068 0.000 1.420 312 I CB 0.415 38.498 38.000 0.137 0.000 1.387 312 I HN 0.242 nan 8.210 nan 0.000 0.553 313 L N 6.612 127.884 121.223 0.082 0.000 2.375 313 L HA 0.486 4.845 4.340 0.032 0.000 0.271 313 L C 0.562 177.588 176.870 0.259 0.000 1.107 313 L CA -0.102 54.826 54.840 0.146 0.000 0.806 313 L CB 1.377 43.538 42.059 0.169 0.000 1.146 313 L HN 0.734 nan 8.230 nan 0.000 0.447 314 T N -2.025 112.568 114.554 0.066 0.000 2.696 314 T HA 0.315 4.684 4.350 0.032 0.000 0.291 314 T C 0.630 174.806 174.700 -0.874 0.000 1.095 314 T CA -0.597 61.279 62.100 -0.373 0.000 1.026 314 T CB 0.662 69.424 68.868 -0.176 0.000 1.390 314 T HN 0.402 nan 8.240 nan 0.000 0.513 315 F N -1.202 118.159 119.950 -0.982 0.000 2.451 315 F HA 0.255 4.799 4.527 0.029 0.000 0.299 315 F C 1.642 177.337 175.800 -0.175 0.000 1.101 315 F CA -0.230 57.431 58.000 -0.565 0.000 1.436 315 F CB -0.950 37.775 39.000 -0.459 0.000 1.074 315 F HN 0.538 nan 8.300 nan 0.000 0.553 316 W N 1.672 122.516 121.300 -0.761 0.000 2.425 316 W HA -0.076 4.603 4.660 0.032 0.000 0.277 316 W C 0.730 177.152 176.519 -0.163 0.000 1.231 316 W CA 0.771 57.831 57.345 -0.476 0.000 1.248 316 W CB -0.096 29.049 29.460 -0.525 0.000 1.117 316 W HN -0.010 nan 8.180 nan 0.000 0.568 317 D N 0.060 120.514 120.400 0.091 0.000 3.058 317 D HA 0.252 4.911 4.640 0.032 0.000 0.272 317 D C 1.471 177.891 176.300 0.200 0.000 1.350 317 D CA 0.308 54.383 54.000 0.125 0.000 0.863 317 D CB 0.032 40.891 40.800 0.097 0.000 1.064 317 D HN 0.019 nan 8.370 nan 0.000 0.488 318 A N 1.645 124.601 122.820 0.227 0.000 1.883 318 A HA -0.370 3.969 4.320 0.032 0.000 0.222 318 A C 2.193 179.959 177.584 0.303 0.000 1.339 318 A CA 2.154 54.382 52.037 0.319 0.000 0.692 318 A CB -0.580 18.475 19.000 0.093 0.000 0.845 318 A HN 0.362 nan 8.150 nan 0.000 0.467 319 R N -1.253 119.346 120.500 0.165 0.000 2.132 319 R HA -0.181 4.177 4.340 0.032 0.000 0.233 319 R C 2.039 178.428 176.300 0.149 0.000 1.125 319 R CA 2.150 58.336 56.100 0.143 0.000 0.914 319 R CB -0.600 29.751 30.300 0.086 0.000 0.845 319 R HN 0.395 nan 8.270 nan 0.000 0.431 320 L N -0.135 121.148 121.223 0.100 0.000 2.127 320 L HA -0.172 4.187 4.340 0.032 0.000 0.211 320 L C 2.174 179.089 176.870 0.076 0.000 1.089 320 L CA 1.563 56.418 54.840 0.025 0.000 0.757 320 L CB -0.954 41.089 42.059 -0.027 0.000 0.899 320 L HN 0.320 nan 8.230 nan 0.000 0.434 321 Y N 0.536 120.879 120.300 0.073 0.000 2.128 321 Y HA -0.295 4.275 4.550 0.034 0.000 0.284 321 Y C 2.498 178.492 175.900 0.158 0.000 1.154 321 Y CA 1.825 60.000 58.100 0.126 0.000 1.149 321 Y CB -0.135 38.471 38.460 0.244 0.000 0.976 321 Y HN 0.101 nan 8.280 nan 0.000 0.505 322 K N -0.169 120.392 120.400 0.268 0.000 2.097 322 K HA -0.150 4.189 4.320 0.032 0.000 0.206 322 K C 2.068 178.652 176.600 -0.026 0.000 1.049 322 K CA 1.566 57.995 56.287 0.238 0.000 0.933 322 K CB -0.200 32.589 32.500 0.481 0.000 0.717 322 K HN 0.362 nan 8.250 nan 0.000 0.442 323 I N 0.694 121.114 120.570 -0.250 0.000 2.252 323 I HA -0.247 3.942 4.170 0.032 0.000 0.245 323 I C 2.433 178.328 176.117 -0.370 0.000 1.102 323 I CA 1.098 62.019 61.300 -0.632 0.000 1.385 323 I CB -0.567 37.137 38.000 -0.494 0.000 1.064 323 I HN 0.165 nan 8.210 nan 0.000 0.414 324 A N 0.670 123.319 122.820 -0.285 0.000 1.873 324 A HA -0.135 4.204 4.320 0.032 0.000 0.215 324 A C 2.409 179.926 177.584 -0.111 0.000 1.186 324 A CA 1.490 53.382 52.037 -0.241 0.000 0.616 324 A CB -0.937 17.933 19.000 -0.217 0.000 0.823 324 A HN 0.230 nan 8.150 nan 0.000 0.442 325 V N 0.040 119.844 119.914 -0.183 0.000 2.392 325 V HA -0.198 3.941 4.120 0.032 0.000 0.249 325 V C 2.741 178.855 176.094 0.032 0.000 1.059 325 V CA 1.965 64.194 62.300 -0.118 0.000 1.051 325 V CB -1.367 30.304 31.823 -0.254 0.000 0.658 325 V HN 0.627 nan 8.190 nan 0.000 0.455 326 G N -1.322 107.524 108.800 0.076 0.000 2.421 326 G HA2 -0.260 3.719 3.960 0.032 0.000 0.217 326 G HA3 -0.260 3.719 3.960 0.032 0.000 0.217 326 G C 1.518 176.575 174.900 0.261 0.000 1.143 326 G CA 0.716 45.934 45.100 0.197 0.000 0.784 326 G HN 0.493 nan 8.290 nan 0.000 0.541 327 F N 0.882 120.899 119.950 0.112 0.000 2.128 327 F HA 0.104 4.651 4.527 0.033 0.000 0.295 327 F C 2.603 178.534 175.800 0.218 0.000 1.100 327 F CA 1.784 59.861 58.000 0.129 0.000 1.260 327 F CB -0.082 38.687 39.000 -0.386 0.000 1.009 327 F HN 0.135 nan 8.300 nan 0.000 0.476 328 M N -0.440 119.337 119.600 0.294 0.000 2.108 328 M HA -0.201 4.298 4.480 0.032 0.000 0.261 328 M C 1.852 178.277 176.300 0.208 0.000 1.066 328 M CA 1.718 57.231 55.300 0.354 0.000 1.107 328 M CB -0.373 32.434 32.600 0.345 0.000 1.356 328 M HN 0.265 nan 8.290 nan 0.000 0.406 329 L N 0.765 122.062 121.223 0.123 0.000 2.141 329 L HA -0.035 4.324 4.340 0.032 0.000 0.209 329 L C 2.706 179.644 176.870 0.114 0.000 1.094 329 L CA 2.046 56.932 54.840 0.076 0.000 0.763 329 L CB -1.470 40.614 42.059 0.041 0.000 0.908 329 L HN 0.436 nan 8.230 nan 0.000 0.437 330 A N -2.679 120.183 122.820 0.070 0.000 2.072 330 A HA -0.094 4.245 4.320 0.032 0.000 0.216 330 A C 1.224 179.079 177.584 0.451 0.000 1.156 330 A CA 0.194 52.307 52.037 0.126 0.000 0.701 330 A CB -0.566 18.272 19.000 -0.269 0.000 0.816 330 A HN 0.403 nan 8.150 nan 0.000 0.458 331 H N 0.812 120.027 119.070 0.241 0.000 2.610 331 H HA 0.188 4.754 4.556 0.017 0.000 0.336 331 H C -1.658 173.779 175.328 0.183 0.000 1.087 331 H CA -1.540 54.598 56.048 0.151 0.000 1.405 331 H CB 1.549 31.256 29.762 -0.092 0.000 1.460 331 H HN 0.092 nan 8.280 nan 0.000 0.538 332 P HA -0.178 nan 4.420 nan 0.000 0.222 332 P C 0.370 177.793 177.300 0.205 0.000 1.147 332 P CA 0.715 63.869 63.100 0.090 0.000 0.790 332 P CB -0.115 31.574 31.700 -0.019 0.000 0.780 333 Y N 2.195 122.724 120.300 0.382 0.000 2.721 333 Y HA 0.275 4.935 4.550 0.184 0.000 0.329 333 Y C 1.360 177.313 175.900 0.088 0.000 1.211 333 Y CA 1.468 59.692 58.100 0.206 0.000 1.512 333 Y CB -0.447 38.101 38.460 0.147 0.000 1.249 333 Y HN 0.330 nan 8.280 nan 0.000 0.549 334 G N 4.628 113.038 108.800 -0.650 0.000 2.804 334 G HA2 -0.316 3.663 3.960 0.032 0.000 0.230 334 G HA3 -0.316 3.663 3.960 0.032 0.000 0.230 334 G C -1.322 173.492 174.900 -0.143 0.000 1.386 334 G CA -0.213 44.619 45.100 -0.448 0.000 0.875 334 G HN 0.929 nan 8.290 nan 0.000 0.557 335 F N 1.793 121.616 119.950 -0.210 0.000 2.427 335 F HA 0.650 5.060 4.527 -0.195 0.000 0.346 335 F C 1.073 176.777 175.800 -0.160 0.000 1.120 335 F CA 0.062 57.966 58.000 -0.160 0.000 1.033 335 F CB 1.658 40.576 39.000 -0.137 0.000 1.126 335 F HN 0.874 nan 8.300 nan 0.000 0.462 336 T N 4.130 118.216 114.554 -0.779 0.000 2.845 336 T HA 0.432 4.801 4.350 0.032 0.000 0.288 336 T C -0.433 174.018 174.700 -0.416 0.000 0.980 336 T CA -0.863 60.947 62.100 -0.484 0.000 1.071 336 T CB 1.330 69.994 68.868 -0.340 0.000 0.941 336 T HN 0.814 nan 8.240 nan 0.000 0.487 337 R N 2.745 123.142 120.500 -0.172 0.000 2.439 337 R HA 0.589 4.948 4.340 0.032 0.000 0.310 337 R C -1.344 174.965 176.300 0.015 0.000 0.955 337 R CA -0.703 55.348 56.100 -0.082 0.000 0.853 337 R CB 1.399 31.633 30.300 -0.110 0.000 1.171 337 R HN 0.628 nan 8.270 nan 0.000 0.449 338 V N 4.935 124.882 119.914 0.055 0.000 2.644 338 V HA 0.369 4.508 4.120 0.032 0.000 0.295 338 V C 0.218 176.402 176.094 0.151 0.000 1.053 338 V CA -0.784 61.585 62.300 0.115 0.000 0.987 338 V CB 1.494 33.413 31.823 0.160 0.000 1.006 338 V HN 0.783 nan 8.190 nan 0.000 0.472 339 M N 3.331 123.043 119.600 0.186 0.000 2.264 339 M HA 0.519 5.018 4.480 0.032 0.000 0.352 339 M C -0.247 176.137 176.300 0.140 0.000 1.173 339 M CA 0.436 55.852 55.300 0.192 0.000 1.075 339 M CB 1.494 34.237 32.600 0.240 0.000 1.621 339 M HN 0.668 nan 8.290 nan 0.000 0.457 340 S N 3.176 118.938 115.700 0.104 0.000 2.756 340 S HA 0.803 5.292 4.470 0.032 0.000 0.303 340 S C -0.981 173.736 174.600 0.194 0.000 1.135 340 S CA -0.477 57.782 58.200 0.098 0.000 1.066 340 S CB 0.313 63.492 63.200 -0.035 0.000 1.008 340 S HN 0.883 nan 8.310 nan 0.000 0.482 341 S N 3.636 119.414 115.700 0.131 0.000 2.855 341 S HA 0.837 5.326 4.470 0.032 0.000 0.308 341 S C -1.071 173.686 174.600 0.261 0.000 1.077 341 S CA -0.824 57.525 58.200 0.248 0.000 0.896 341 S CB 0.432 63.698 63.200 0.110 0.000 1.339 341 S HN 0.866 nan 8.310 nan 0.000 0.602 342 Y N -0.930 119.467 120.300 0.162 0.000 2.545 342 Y HA 0.776 5.345 4.550 0.031 0.000 0.348 342 Y C -0.311 175.666 175.900 0.129 0.000 1.002 342 Y CA -1.354 56.742 58.100 -0.007 0.000 1.039 342 Y CB 1.028 39.347 38.460 -0.235 0.000 1.271 342 Y HN 0.697 nan 8.280 nan 0.000 0.467 343 R N 1.907 122.508 120.500 0.169 0.000 2.490 343 R HA 0.475 4.834 4.340 0.032 0.000 0.278 343 R C -1.632 174.965 176.300 0.496 0.000 1.069 343 R CA -0.251 55.987 56.100 0.230 0.000 1.080 343 R CB 0.742 31.075 30.300 0.055 0.000 1.030 343 R HN 0.954 nan 8.270 nan 0.000 0.491 344 W N 1.054 122.551 121.300 0.329 0.000 3.074 344 W HA 0.575 5.253 4.660 0.030 0.000 0.332 344 W C -1.920 174.709 176.519 0.184 0.000 1.253 344 W CA -1.103 56.366 57.345 0.207 0.000 1.180 344 W CB 0.590 30.144 29.460 0.157 0.000 1.445 344 W HN 0.610 nan 8.180 nan 0.000 0.573 345 A N 3.595 126.475 122.820 0.101 0.000 2.410 345 A HA 0.531 4.870 4.320 0.032 0.000 0.292 345 A C 0.090 177.582 177.584 -0.154 0.000 1.232 345 A CA -0.544 51.444 52.037 -0.082 0.000 0.893 345 A CB -0.116 18.877 19.000 -0.012 0.000 1.131 345 A HN 0.629 nan 8.150 nan 0.000 0.530 346 R N 1.873 122.081 120.500 -0.487 0.000 2.490 346 R HA 0.305 4.664 4.340 0.032 0.000 0.278 346 R C -0.446 175.581 176.300 -0.455 0.000 1.069 346 R CA -0.319 55.463 56.100 -0.529 0.000 1.080 346 R CB 0.575 30.305 30.300 -0.952 0.000 1.030 346 R HN 0.711 nan 8.270 nan 0.000 0.491 347 N N 2.553 120.964 118.700 -0.482 0.000 2.685 347 N HA 0.122 4.881 4.740 0.032 0.000 0.252 347 N C -1.707 173.644 175.510 -0.264 0.000 1.261 347 N CA -0.367 52.511 53.050 -0.286 0.000 0.768 347 N CB 0.358 38.791 38.487 -0.089 0.000 1.304 347 N HN 0.288 nan 8.380 nan 0.000 0.536 348 F N 1.668 121.623 119.950 0.008 0.000 2.472 348 F HA 0.248 4.794 4.527 0.030 0.000 0.364 348 F C 0.855 176.676 175.800 0.034 0.000 1.090 348 F CA -0.597 57.418 58.000 0.026 0.000 1.188 348 F CB 0.673 39.669 39.000 -0.007 0.000 1.105 348 F HN 0.108 nan 8.300 nan 0.000 0.536 349 V N 0.688 120.734 119.914 0.219 0.000 2.407 349 V HA 0.448 4.587 4.120 0.032 0.000 0.291 349 V C 0.175 176.354 176.094 0.142 0.000 1.018 349 V CA -1.270 61.118 62.300 0.146 0.000 0.842 349 V CB 1.108 32.999 31.823 0.113 0.000 0.996 349 V HN 0.916 nan 8.190 nan 0.000 0.426 350 N N 3.211 121.975 118.700 0.107 0.000 2.735 350 N HA -0.206 4.553 4.740 0.032 0.000 0.248 350 N C 1.134 176.699 175.510 0.091 0.000 1.083 350 N CA 0.876 53.974 53.050 0.081 0.000 0.703 350 N CB -0.979 37.550 38.487 0.070 0.000 1.005 350 N HN 1.941 nan 8.380 nan 0.000 0.550 351 G N -0.253 108.611 108.800 0.106 0.000 2.176 351 G HA2 -0.313 3.666 3.960 0.032 0.000 0.253 351 G HA3 -0.313 3.666 3.960 0.032 0.000 0.253 351 G C -0.248 174.766 174.900 0.190 0.000 0.979 351 G CA 0.612 45.762 45.100 0.083 0.000 0.641 351 G HN 0.606 nan 8.290 nan 0.000 0.530 352 E N 0.347 120.725 120.200 0.297 0.000 2.256 352 E HA 0.426 4.795 4.350 0.032 0.000 0.268 352 E C -1.461 175.378 176.600 0.400 0.000 0.877 352 E CA -0.903 55.730 56.400 0.388 0.000 0.757 352 E CB 1.179 31.065 29.700 0.310 0.000 1.183 352 E HN 0.018 nan 8.360 nan 0.000 0.418 353 D N 4.056 124.688 120.400 0.387 0.000 2.342 353 D HA -0.006 4.653 4.640 0.032 0.000 0.260 353 D C 0.951 177.344 176.300 0.154 0.000 1.278 353 D CA -0.133 53.869 54.000 0.002 0.000 0.910 353 D CB 1.207 41.893 40.800 -0.190 0.000 1.079 353 D HN 0.295 nan 8.370 nan 0.000 0.496 354 V N 1.594 121.599 119.914 0.151 0.000 3.630 354 V HA 0.124 4.262 4.120 0.032 0.000 0.273 354 V C 0.635 176.931 176.094 0.337 0.000 1.248 354 V CA 0.401 62.859 62.300 0.263 0.000 1.170 354 V CB -0.535 31.423 31.823 0.225 0.000 0.899 354 V HN 0.275 nan 8.190 nan 0.000 0.457 355 N N 1.388 120.175 118.700 0.145 0.000 2.184 355 N HA 0.055 4.814 4.740 0.032 0.000 0.206 355 N C 1.185 176.546 175.510 -0.249 0.000 1.151 355 N CA 0.777 53.768 53.050 -0.099 0.000 0.878 355 N CB 0.054 38.531 38.487 -0.018 0.000 1.014 355 N HN 0.762 nan 8.380 nan 0.000 0.512 356 D N 0.074 120.497 120.400 0.038 0.000 2.403 356 D HA -0.161 4.498 4.640 0.032 0.000 0.227 356 D C 1.396 177.834 176.300 0.230 0.000 0.995 356 D CA 0.319 54.318 54.000 -0.001 0.000 0.928 356 D CB -0.482 40.415 40.800 0.162 0.000 0.887 356 D HN 0.527 nan 8.370 nan 0.000 0.529 357 W N 0.951 122.440 121.300 0.315 0.000 2.737 357 W HA 0.237 4.916 4.660 0.031 0.000 0.262 357 W C 0.561 177.195 176.519 0.192 0.000 1.282 357 W CA -0.753 56.798 57.345 0.343 0.000 1.386 357 W CB -0.757 28.892 29.460 0.314 0.000 1.099 357 W HN -0.240 nan 8.180 nan 0.000 0.621 358 I N 2.918 123.067 120.570 -0.702 0.000 2.996 358 I HA -0.069 4.119 4.170 0.032 0.000 0.310 358 I C 1.434 177.602 176.117 0.084 0.000 1.225 358 I CA 1.059 61.983 61.300 -0.627 0.000 1.442 358 I CB -0.182 37.467 38.000 -0.586 0.000 1.334 358 I HN -0.088 nan 8.210 nan 0.000 0.550 359 G N 7.687 116.529 108.800 0.069 0.000 2.588 359 G HA2 0.415 4.394 3.960 0.032 0.000 0.281 359 G HA3 0.415 4.394 3.960 0.032 0.000 0.281 359 G C -2.408 172.267 174.900 -0.375 0.000 1.236 359 G CA -1.011 44.113 45.100 0.041 0.000 0.969 359 G HN 0.455 nan 8.290 nan 0.000 0.504 360 P HA 0.100 nan 4.420 nan 0.000 0.269 360 P C -2.631 174.186 177.300 -0.804 0.000 1.211 360 P CA -0.744 61.526 63.100 -1.384 0.000 0.781 360 P CB -0.283 30.935 31.700 -0.804 0.000 0.877 361 P HA -0.005 nan 4.420 nan 0.000 0.260 361 P C -0.251 176.850 177.300 -0.332 0.000 1.172 361 P CA 0.842 63.587 63.100 -0.592 0.000 0.760 361 P CB -0.309 30.871 31.700 -0.866 0.000 0.773 362 N N 1.063 119.638 118.700 -0.208 0.000 2.825 362 N HA 0.359 5.118 4.740 0.032 0.000 0.253 362 N C -1.514 173.948 175.510 -0.081 0.000 1.426 362 N CA -1.079 51.896 53.050 -0.125 0.000 0.851 362 N CB 1.256 39.672 38.487 -0.119 0.000 1.470 362 N HN 0.073 nan 8.380 nan 0.000 0.517 363 N N 0.060 118.726 118.700 -0.057 0.000 2.626 363 N HA 0.322 5.081 4.740 0.032 0.000 0.249 363 N C -1.445 174.045 175.510 -0.033 0.000 1.021 363 N CA -0.723 52.304 53.050 -0.039 0.000 0.886 363 N CB 0.585 39.053 38.487 -0.031 0.000 1.149 363 N HN 0.663 nan 8.380 nan 0.000 0.517 364 N N 1.857 120.540 118.700 -0.027 0.000 2.667 364 N HA -0.218 4.540 4.740 0.032 0.000 0.263 364 N C 1.024 176.516 175.510 -0.029 0.000 1.038 364 N CA 1.129 54.166 53.050 -0.022 0.000 0.749 364 N CB -1.166 37.312 38.487 -0.017 0.000 0.892 364 N HN 0.954 nan 8.380 nan 0.000 0.546 365 G N -2.465 106.312 108.800 -0.037 0.000 2.267 365 G HA2 -0.315 3.664 3.960 0.032 0.000 0.257 365 G HA3 -0.315 3.664 3.960 0.032 0.000 0.257 365 G C 0.170 175.035 174.900 -0.059 0.000 0.998 365 G CA 0.471 45.542 45.100 -0.048 0.000 0.620 365 G HN 1.539 nan 8.290 nan 0.000 0.529 366 V N 0.178 120.060 119.914 -0.053 0.000 2.368 366 V HA 0.748 4.887 4.120 0.032 0.000 0.266 366 V C 0.800 176.858 176.094 -0.060 0.000 1.045 366 V CA -1.658 60.610 62.300 -0.054 0.000 0.899 366 V CB 0.803 32.602 31.823 -0.041 0.000 1.006 366 V HN 0.305 nan 8.190 nan 0.000 0.470 367 I N 5.326 125.856 120.570 -0.068 0.000 2.775 367 I HA 0.103 4.292 4.170 0.032 0.000 0.290 367 I C 1.108 177.225 176.117 0.001 0.000 1.203 367 I CA 0.647 61.920 61.300 -0.045 0.000 1.433 367 I CB -0.073 37.904 38.000 -0.038 0.000 1.354 367 I HN 0.676 nan 8.210 nan 0.000 0.579 368 K N 5.836 126.271 120.400 0.059 0.000 2.185 368 K HA 0.211 4.550 4.320 0.032 0.000 0.271 368 K C 0.229 176.918 176.600 0.149 0.000 1.013 368 K CA -0.646 55.698 56.287 0.095 0.000 0.943 368 K CB 0.616 33.160 32.500 0.074 0.000 0.998 368 K HN 0.685 nan 8.250 nan 0.000 0.468 369 E N 0.428 120.646 120.200 0.029 0.000 2.392 369 E HA 0.093 4.462 4.350 0.032 0.000 0.256 369 E C -0.805 175.706 176.600 -0.148 0.000 1.145 369 E CA -0.720 55.622 56.400 -0.098 0.000 0.929 369 E CB 0.661 30.317 29.700 -0.074 0.000 0.998 369 E HN 0.074 nan 8.360 nan 0.000 0.442 370 V N 2.802 122.441 119.914 -0.459 0.000 2.320 370 V HA 0.150 4.289 4.120 0.032 0.000 0.265 370 V C 0.193 176.133 176.094 -0.257 0.000 1.048 370 V CA -0.474 61.452 62.300 -0.624 0.000 0.865 370 V CB 0.282 31.300 31.823 -1.342 0.000 1.043 370 V HN 0.806 nan 8.190 nan 0.000 0.474 371 T N 3.299 117.801 114.554 -0.085 0.000 2.869 371 T HA 0.694 5.063 4.350 0.032 0.000 0.295 371 T C -0.495 174.191 174.700 -0.023 0.000 0.987 371 T CA -0.477 61.602 62.100 -0.036 0.000 1.109 371 T CB 1.027 69.897 68.868 0.003 0.000 0.932 371 T HN 0.205 nan 8.240 nan 0.000 0.518 372 I N 3.151 123.711 120.570 -0.017 0.000 2.354 372 I HA 0.339 4.528 4.170 0.032 0.000 0.292 372 I C 0.419 176.539 176.117 0.005 0.000 0.989 372 I CA -0.641 60.656 61.300 -0.006 0.000 1.188 372 I CB 1.073 39.071 38.000 -0.004 0.000 1.342 372 I HN 0.703 nan 8.210 nan 0.000 0.457 373 N N 3.260 121.966 118.700 0.011 0.000 2.463 373 N HA 0.473 5.232 4.740 0.032 0.000 0.270 373 N C 1.013 176.531 175.510 0.014 0.000 1.205 373 N CA -0.348 52.710 53.050 0.013 0.000 0.974 373 N CB 0.967 39.464 38.487 0.017 0.000 1.197 373 N HN 0.731 nan 8.380 nan 0.000 0.504 374 A N 0.581 123.409 122.820 0.014 0.000 2.076 374 A HA -0.192 4.147 4.320 0.032 0.000 0.220 374 A C 1.212 178.807 177.584 0.017 0.000 1.160 374 A CA 1.681 53.727 52.037 0.015 0.000 0.653 374 A CB -0.543 18.464 19.000 0.012 0.000 0.801 374 A HN 0.863 nan 8.150 nan 0.000 0.455 375 D N -1.587 118.823 120.400 0.016 0.000 2.328 375 D HA -0.001 4.658 4.640 0.032 0.000 0.226 375 D C 0.888 177.203 176.300 0.026 0.000 1.066 375 D CA 1.231 55.242 54.000 0.018 0.000 0.861 375 D CB -0.976 39.831 40.800 0.012 0.000 0.912 375 D HN 0.665 nan 8.370 nan 0.000 0.521 376 T N -4.499 110.069 114.554 0.023 0.000 5.975 376 T HA -0.273 4.096 4.350 0.032 0.000 0.273 376 T C 0.529 175.228 174.700 -0.002 0.000 2.189 376 T CA 1.365 63.473 62.100 0.015 0.000 3.660 376 T CB -3.172 65.719 68.868 0.038 0.000 1.044 376 T HN 0.601 nan 8.240 nan 0.000 1.166 377 T N -1.078 113.491 114.554 0.024 0.000 2.816 377 T HA 0.651 5.020 4.350 0.032 0.000 0.282 377 T C 0.855 175.576 174.700 0.035 0.000 0.993 377 T CA -0.289 61.841 62.100 0.049 0.000 0.994 377 T CB 1.336 70.243 68.868 0.064 0.000 1.025 377 T HN 0.609 nan 8.240 nan 0.000 0.529 378 c N 0.472 119.110 118.600 0.064 0.000 2.349 378 c HA 0.902 5.491 4.570 0.032 0.000 0.361 378 c C 1.384 175.526 174.090 0.087 0.000 1.189 378 c CA -0.266 56.104 56.329 0.069 0.000 2.155 378 c CB 0.881 43.457 42.510 0.110 0.000 2.336 378 c HN 1.204 nan 8.230 nan 0.000 0.540 379 G N 0.039 108.893 108.800 0.090 0.000 2.990 379 G HA2 0.414 4.393 3.960 0.032 0.000 0.208 379 G HA3 0.414 4.393 3.960 0.032 0.000 0.208 379 G C -0.097 174.876 174.900 0.121 0.000 1.334 379 G CA -0.218 44.930 45.100 0.079 0.000 1.024 379 G HN 0.747 nan 8.290 nan 0.000 0.574 380 N N 0.587 119.317 118.700 0.050 0.000 2.696 380 N HA -0.164 4.595 4.740 0.032 0.000 0.249 380 N C -0.030 175.336 175.510 -0.238 0.000 1.090 380 N CA 1.402 54.437 53.050 -0.025 0.000 0.716 380 N CB -0.512 38.020 38.487 0.076 0.000 1.020 380 N HN 0.665 nan 8.380 nan 0.000 0.548 381 D N -4.136 116.169 120.400 -0.158 0.000 3.028 381 D HA -0.223 4.436 4.640 0.032 0.000 0.207 381 D C -0.405 175.742 176.300 -0.256 0.000 1.100 381 D CA 1.041 54.916 54.000 -0.208 0.000 0.995 381 D CB -1.441 39.211 40.800 -0.247 0.000 1.108 381 D HN 0.541 nan 8.370 nan 0.000 0.421 382 W N 0.651 121.925 121.300 -0.045 0.000 2.311 382 W HA 0.399 5.077 4.660 0.030 0.000 0.310 382 W C 1.618 178.117 176.519 -0.032 0.000 1.274 382 W CA -0.719 56.603 57.345 -0.038 0.000 1.215 382 W CB 0.810 30.176 29.460 -0.158 0.000 1.227 382 W HN -0.208 nan 8.180 nan 0.000 0.523 383 V N 3.966 123.938 119.914 0.098 0.000 2.591 383 V HA -0.176 3.963 4.120 0.032 0.000 0.249 383 V C 1.137 177.256 176.094 0.042 0.000 1.053 383 V CA 0.972 63.224 62.300 -0.080 0.000 1.068 383 V CB -0.593 30.844 31.823 -0.643 0.000 0.689 383 V HN 0.855 nan 8.190 nan 0.000 0.462 384 c N 1.462 120.148 118.600 0.144 0.000 3.899 384 c HA -0.158 4.431 4.570 0.032 0.000 0.297 384 c C 1.494 175.447 174.090 -0.228 0.000 1.371 384 c CA 0.785 57.193 56.329 0.131 0.000 2.088 384 c CB -2.913 39.645 42.510 0.079 0.000 1.346 384 c HN 0.784 nan 8.230 nan 0.000 0.658 385 E N 0.427 120.379 120.200 -0.413 0.000 2.160 385 E HA -0.187 4.182 4.350 0.032 0.000 0.195 385 E C 1.937 178.266 176.600 -0.452 0.000 0.991 385 E CA 1.607 57.387 56.400 -1.034 0.000 0.810 385 E CB -0.189 29.072 29.700 -0.731 0.000 0.742 385 E HN 0.974 nan 8.360 nan 0.000 0.466 386 H N -0.154 118.820 119.070 -0.160 0.000 2.568 386 H HA 0.087 4.662 4.556 0.031 0.000 0.281 386 H C 1.034 176.448 175.328 0.142 0.000 1.028 386 H CA 0.794 56.893 56.048 0.084 0.000 1.199 386 H CB -0.005 29.776 29.762 0.031 0.000 1.352 386 H HN 0.081 nan 8.280 nan 0.000 0.605 387 R N -0.740 119.530 120.500 -0.384 0.000 2.476 387 R HA 0.089 4.448 4.340 0.032 0.000 0.276 387 R C -0.436 175.985 176.300 0.202 0.000 0.941 387 R CA -0.533 55.424 56.100 -0.238 0.000 1.088 387 R CB 0.446 30.420 30.300 -0.543 0.000 1.216 387 R HN 0.067 nan 8.270 nan 0.000 0.533 388 W N 1.973 123.310 121.300 0.062 0.000 2.303 388 W HA 0.178 4.859 4.660 0.036 0.000 0.318 388 W C 1.541 178.141 176.519 0.135 0.000 1.362 388 W CA -1.064 56.341 57.345 0.100 0.000 1.234 388 W CB 0.093 29.640 29.460 0.145 0.000 1.248 388 W HN 0.089 nan 8.180 nan 0.000 0.546 389 R N 1.692 122.373 120.500 0.302 0.000 2.119 389 R HA -0.284 4.075 4.340 0.032 0.000 0.246 389 R C 1.420 177.851 176.300 0.218 0.000 1.146 389 R CA 2.432 58.660 56.100 0.213 0.000 0.962 389 R CB 0.128 30.497 30.300 0.114 0.000 0.863 389 R HN 0.437 nan 8.270 nan 0.000 0.442 390 E N 0.163 120.504 120.200 0.236 0.000 2.085 390 E HA -0.177 4.192 4.350 0.032 0.000 0.194 390 E C 1.890 178.661 176.600 0.284 0.000 0.994 390 E CA 1.766 58.300 56.400 0.224 0.000 0.801 390 E CB -0.085 29.794 29.700 0.298 0.000 0.743 390 E HN 0.479 nan 8.360 nan 0.000 0.453 391 I N -0.211 120.568 120.570 0.349 0.000 2.494 391 I HA -0.089 4.100 4.170 0.032 0.000 0.250 391 I C 2.549 178.829 176.117 0.270 0.000 1.112 391 I CA 0.308 61.780 61.300 0.286 0.000 1.438 391 I CB -0.175 37.985 38.000 0.267 0.000 1.111 391 I HN 0.019 nan 8.210 nan 0.000 0.431 392 R N 1.610 122.317 120.500 0.344 0.000 2.083 392 R HA -0.198 4.161 4.340 0.032 0.000 0.237 392 R C 1.787 178.249 176.300 0.270 0.000 1.137 392 R CA 1.943 58.280 56.100 0.395 0.000 0.951 392 R CB -0.320 30.267 30.300 0.477 0.000 0.851 392 R HN 0.335 nan 8.270 nan 0.000 0.434 393 N N 0.033 118.882 118.700 0.248 0.000 2.381 393 N HA -0.098 4.661 4.740 0.032 0.000 0.182 393 N C 1.528 177.234 175.510 0.326 0.000 1.025 393 N CA 0.954 54.163 53.050 0.265 0.000 0.888 393 N CB -0.086 38.522 38.487 0.201 0.000 0.965 393 N HN 0.228 nan 8.380 nan 0.000 0.438 394 M N 0.187 119.930 119.600 0.240 0.000 2.419 394 M HA 0.036 4.535 4.480 0.032 0.000 0.264 394 M C 1.983 178.385 176.300 0.170 0.000 1.082 394 M CA 0.513 55.937 55.300 0.207 0.000 1.119 394 M CB -0.755 31.918 32.600 0.120 0.000 1.398 394 M HN 0.054 nan 8.290 nan 0.000 0.453 395 V N -2.773 117.185 119.914 0.073 0.000 2.453 395 V HA -0.167 3.971 4.120 0.032 0.000 0.247 395 V C 2.143 178.207 176.094 -0.050 0.000 1.048 395 V CA 1.070 63.303 62.300 -0.112 0.000 1.049 395 V CB -1.136 30.390 31.823 -0.495 0.000 0.672 395 V HN 0.565 nan 8.190 nan 0.000 0.457 396 W N 0.399 121.639 121.300 -0.100 0.000 2.381 396 W HA -0.181 4.502 4.660 0.039 0.000 0.301 396 W C 2.386 178.825 176.519 -0.135 0.000 1.205 396 W CA 1.802 59.081 57.345 -0.110 0.000 1.285 396 W CB -0.422 29.014 29.460 -0.040 0.000 1.133 396 W HN 0.395 nan 8.180 nan 0.000 0.521 397 F N 1.565 121.527 119.950 0.019 0.000 2.091 397 F HA -0.287 4.254 4.527 0.023 0.000 0.299 397 F C 2.846 178.562 175.800 -0.140 0.000 1.103 397 F CA 2.915 60.879 58.000 -0.060 0.000 1.228 397 F CB -0.680 38.399 39.000 0.133 0.000 0.984 397 F HN -0.243 nan 8.300 nan 0.000 0.477 398 R N 0.509 121.147 120.500 0.230 0.000 2.081 398 R HA -0.198 4.161 4.340 0.032 0.000 0.235 398 R C 1.993 178.212 176.300 -0.135 0.000 1.131 398 R CA 2.147 58.299 56.100 0.087 0.000 0.960 398 R CB -0.552 29.758 30.300 0.016 0.000 0.856 398 R HN 0.479 nan 8.270 nan 0.000 0.436 399 N N -0.635 117.902 118.700 -0.272 0.000 2.084 399 N HA -0.163 4.596 4.740 0.032 0.000 0.190 399 N C 1.738 177.001 175.510 -0.411 0.000 1.030 399 N CA 1.415 54.237 53.050 -0.381 0.000 0.849 399 N CB -0.019 38.112 38.487 -0.593 0.000 1.012 399 N HN 0.000 nan 8.380 nan 0.000 0.423 400 V N 1.178 120.768 119.914 -0.540 0.000 2.407 400 V HA -0.144 3.995 4.120 0.032 0.000 0.248 400 V C 1.986 177.882 176.094 -0.330 0.000 1.055 400 V CA 1.511 63.523 62.300 -0.480 0.000 1.049 400 V CB -0.346 31.101 31.823 -0.627 0.000 0.662 400 V HN 0.372 nan 8.190 nan 0.000 0.455 401 V N -1.911 117.808 119.914 -0.326 0.000 3.596 401 V HA 0.240 4.379 4.120 0.032 0.000 0.289 401 V C 0.635 176.673 176.094 -0.094 0.000 1.336 401 V CA -0.260 61.918 62.300 -0.203 0.000 1.137 401 V CB -0.439 31.257 31.823 -0.212 0.000 0.966 401 V HN 0.471 nan 8.190 nan 0.000 0.428 402 D N 1.684 122.017 120.400 -0.112 0.000 2.583 402 D HA 0.319 4.978 4.640 0.032 0.000 0.232 402 D C 1.557 177.830 176.300 -0.045 0.000 1.128 402 D CA 2.062 56.020 54.000 -0.071 0.000 0.859 402 D CB 0.551 41.293 40.800 -0.096 0.000 1.169 402 D HN 0.650 nan 8.370 nan 0.000 0.481 403 G N 2.897 111.685 108.800 -0.019 0.000 2.245 403 G HA2 -0.274 3.705 3.960 0.032 0.000 0.264 403 G HA3 -0.274 3.705 3.960 0.032 0.000 0.264 403 G C 0.262 175.166 174.900 0.006 0.000 0.985 403 G CA 0.334 45.428 45.100 -0.010 0.000 0.625 403 G HN 0.605 nan 8.290 nan 0.000 0.536 404 Q N 1.358 121.165 119.800 0.012 0.000 2.288 404 Q HA 0.394 4.753 4.340 0.032 0.000 0.254 404 Q C -2.053 173.987 176.000 0.067 0.000 0.932 404 Q CA -1.392 54.430 55.803 0.032 0.000 0.902 404 Q CB 1.607 30.360 28.738 0.025 0.000 1.203 404 Q HN 0.415 nan 8.270 nan 0.000 0.415 405 P HA 0.089 nan 4.420 nan 0.000 0.278 405 P C -0.509 176.888 177.300 0.163 0.000 1.238 405 P CA -0.427 62.740 63.100 0.110 0.000 0.794 405 P CB 0.458 32.214 31.700 0.093 0.000 0.955 406 F N 2.630 122.590 119.950 0.018 0.000 2.602 406 F HA 0.324 4.871 4.527 0.034 0.000 0.385 406 F C -0.093 175.778 175.800 0.118 0.000 1.063 406 F CA 0.715 58.727 58.000 0.020 0.000 1.233 406 F CB 0.092 39.001 39.000 -0.151 0.000 1.067 406 F HN 0.578 nan 8.300 nan 0.000 0.564 407 A N 4.244 126.876 122.820 -0.313 0.000 2.599 407 A HA 0.450 4.789 4.320 0.032 0.000 0.290 407 A C -0.171 177.386 177.584 -0.046 0.000 1.101 407 A CA -0.607 51.361 52.037 -0.116 0.000 0.674 407 A CB 0.746 19.771 19.000 0.042 0.000 1.277 407 A HN 0.861 nan 8.150 nan 0.000 0.419 408 N N -0.161 118.599 118.700 0.099 0.000 2.714 408 N HA -0.147 4.612 4.740 0.032 0.000 0.253 408 N C -0.466 175.244 175.510 0.332 0.000 1.024 408 N CA 1.217 54.400 53.050 0.221 0.000 0.726 408 N CB -0.668 37.961 38.487 0.236 0.000 0.908 408 N HN 0.682 nan 8.380 nan 0.000 0.542 409 W N 1.211 122.584 121.300 0.121 0.000 2.266 409 W HA 0.397 5.075 4.660 0.030 0.000 0.317 409 W C -0.389 176.339 176.519 0.348 0.000 1.310 409 W CA -0.507 56.975 57.345 0.228 0.000 1.207 409 W CB 0.417 30.027 29.460 0.251 0.000 1.199 409 W HN 0.327 nan 8.180 nan 0.000 0.544 410 W N 8.253 129.228 121.300 -0.542 0.000 3.032 410 W HA 0.404 5.082 4.660 0.029 0.000 0.335 410 W C -1.691 174.470 176.519 -0.598 0.000 1.154 410 W CA -0.688 56.457 57.345 -0.334 0.000 1.204 410 W CB 1.213 30.607 29.460 -0.110 0.000 1.416 410 W HN 0.473 nan 8.180 nan 0.000 0.521 411 D N 2.094 121.695 120.400 -1.331 0.000 2.717 411 D HA 0.197 4.856 4.640 0.032 0.000 0.223 411 D C -0.358 175.113 176.300 -1.381 0.000 1.240 411 D CA -0.695 52.532 54.000 -1.287 0.000 0.801 411 D CB 1.249 41.832 40.800 -0.363 0.000 1.556 411 D HN 0.316 nan 8.370 nan 0.000 0.462 412 N N 1.191 119.257 118.700 -1.057 0.000 2.313 412 N HA 0.187 4.946 4.740 0.032 0.000 0.207 412 N C 1.376 176.795 175.510 -0.152 0.000 1.141 412 N CA 0.285 53.058 53.050 -0.462 0.000 0.830 412 N CB 0.205 38.621 38.487 -0.120 0.000 1.008 412 N HN 1.044 nan 8.380 nan 0.000 0.481 413 G N -1.530 107.172 108.800 -0.162 0.000 2.184 413 G HA2 -0.333 3.646 3.960 0.032 0.000 0.264 413 G HA3 -0.333 3.646 3.960 0.032 0.000 0.264 413 G C 0.423 175.313 174.900 -0.017 0.000 0.975 413 G CA 0.722 45.804 45.100 -0.030 0.000 0.642 413 G HN 0.662 nan 8.290 nan 0.000 0.536 414 S N -1.043 114.622 115.700 -0.057 0.000 3.906 414 S HA 0.438 4.927 4.470 0.032 0.000 0.188 414 S C 0.757 175.232 174.600 -0.208 0.000 1.054 414 S CA 0.518 58.673 58.200 -0.074 0.000 1.503 414 S CB 0.304 63.556 63.200 0.087 0.000 1.144 414 S HN 0.197 nan 8.310 nan 0.000 0.833 415 N N 1.603 120.151 118.700 -0.253 0.000 2.338 415 N HA 0.310 5.069 4.740 0.032 0.000 0.251 415 N C -1.190 174.169 175.510 -0.253 0.000 1.199 415 N CA 0.061 52.935 53.050 -0.293 0.000 0.879 415 N CB 1.023 39.313 38.487 -0.330 0.000 1.159 415 N HN 0.454 nan 8.380 nan 0.000 0.514 416 Q N 0.750 120.422 119.800 -0.214 0.000 2.331 416 Q HA 0.582 4.941 4.340 0.032 0.000 0.267 416 Q C -0.945 174.933 176.000 -0.203 0.000 1.006 416 Q CA -0.430 55.318 55.803 -0.092 0.000 0.818 416 Q CB 2.988 31.766 28.738 0.068 0.000 1.276 416 Q HN -0.116 nan 8.270 nan 0.000 0.450 417 V N 0.699 120.596 119.914 -0.028 0.000 3.159 417 V HA 0.948 5.086 4.120 0.032 0.000 0.308 417 V C -1.458 174.647 176.094 0.018 0.000 1.190 417 V CA -0.600 61.586 62.300 -0.191 0.000 1.037 417 V CB 2.363 34.011 31.823 -0.292 0.000 1.060 417 V HN 0.854 nan 8.190 nan 0.000 0.437 418 A N 2.395 125.082 122.820 -0.223 0.000 2.605 418 A HA 0.979 5.318 4.320 0.032 0.000 0.294 418 A C -1.587 175.828 177.584 -0.282 0.000 1.062 418 A CA -0.383 51.465 52.037 -0.316 0.000 0.682 418 A CB 1.735 20.511 19.000 -0.374 0.000 1.278 418 A HN 1.858 nan 8.150 nan 0.000 0.410 419 F N -0.971 118.664 119.950 -0.524 0.000 2.773 419 F HA 0.891 5.436 4.527 0.031 0.000 0.314 419 F C -0.048 175.600 175.800 -0.253 0.000 1.160 419 F CA -0.396 57.449 58.000 -0.259 0.000 0.920 419 F CB 0.769 39.742 39.000 -0.047 0.000 1.323 419 F HN 1.191 nan 8.300 nan 0.000 0.457 420 G N 0.267 109.263 108.800 0.327 0.000 2.630 420 G HA2 0.663 4.642 3.960 0.032 0.000 0.296 420 G HA3 0.663 4.642 3.960 0.032 0.000 0.296 420 G C -1.635 173.454 174.900 0.315 0.000 1.285 420 G CA -1.290 44.044 45.100 0.390 0.000 0.958 420 G HN 0.576 nan 8.290 nan 0.000 0.479 421 R N 0.513 121.172 120.500 0.265 0.000 2.402 421 R HA 0.487 4.846 4.340 0.032 0.000 0.290 421 R C 0.872 177.235 176.300 0.106 0.000 1.321 421 R CA -0.071 56.146 56.100 0.195 0.000 1.283 421 R CB 0.242 30.661 30.300 0.197 0.000 1.111 421 R HN 1.350 nan 8.270 nan 0.000 0.578 422 G N 3.206 112.061 108.800 0.093 0.000 2.596 422 G HA2 -0.410 3.569 3.960 0.032 0.000 0.295 422 G HA3 -0.410 3.569 3.960 0.032 0.000 0.295 422 G C 0.257 175.184 174.900 0.045 0.000 1.240 422 G CA 0.469 45.603 45.100 0.057 0.000 0.985 422 G HN 0.643 nan 8.290 nan 0.000 0.555 423 N N 0.813 119.528 118.700 0.025 0.000 2.380 423 N HA 0.208 4.967 4.740 0.032 0.000 0.255 423 N C 1.157 176.681 175.510 0.023 0.000 1.158 423 N CA 0.008 53.067 53.050 0.016 0.000 0.878 423 N CB 0.556 39.050 38.487 0.011 0.000 1.138 423 N HN 0.698 nan 8.380 nan 0.000 0.509 424 R N -1.047 119.462 120.500 0.015 0.000 2.487 424 R HA 0.311 4.670 4.340 0.032 0.000 0.272 424 R C 0.021 176.304 176.300 -0.030 0.000 0.928 424 R CA 0.134 56.234 56.100 0.000 0.000 1.077 424 R CB 1.331 31.603 30.300 -0.046 0.000 1.265 424 R HN 0.261 nan 8.270 nan 0.000 0.537 425 G N 0.480 109.273 108.800 -0.013 0.000 2.655 425 G HA2 0.436 4.415 3.960 0.032 0.000 0.296 425 G HA3 0.436 4.415 3.960 0.032 0.000 0.296 425 G C -2.140 172.913 174.900 0.254 0.000 1.485 425 G CA -0.431 44.657 45.100 -0.020 0.000 0.869 425 G HN -0.009 nan 8.290 nan 0.000 0.540 426 F N 1.417 121.438 119.950 0.117 0.000 2.599 426 F HA 0.862 5.409 4.527 0.032 0.000 0.311 426 F C -1.224 174.548 175.800 -0.045 0.000 1.076 426 F CA -1.426 56.580 58.000 0.009 0.000 0.937 426 F CB 2.209 41.163 39.000 -0.077 0.000 1.282 426 F HN 0.461 nan 8.300 nan 0.000 0.460 427 I N 4.937 124.944 120.570 -0.939 0.000 2.692 427 I HA 0.538 4.727 4.170 0.032 0.000 0.293 427 I C -2.060 173.351 176.117 -1.177 0.000 1.200 427 I CA -0.709 60.034 61.300 -0.929 0.000 1.036 427 I CB 1.710 39.133 38.000 -0.962 0.000 1.258 427 I HN 0.458 nan 8.210 nan 0.000 0.421 428 V N 7.843 127.168 119.914 -0.982 0.000 2.656 428 V HA 0.680 4.819 4.120 0.032 0.000 0.307 428 V C -1.694 174.039 176.094 -0.600 0.000 1.051 428 V CA -0.316 61.522 62.300 -0.770 0.000 0.893 428 V CB 2.135 33.419 31.823 -0.898 0.000 0.999 428 V HN 0.532 nan 8.190 nan 0.000 0.426 429 F N 4.581 124.440 119.950 -0.153 0.000 2.540 429 F HA 0.571 5.115 4.527 0.028 0.000 0.317 429 F C 0.027 175.791 175.800 -0.060 0.000 1.104 429 F CA -0.627 57.332 58.000 -0.069 0.000 0.913 429 F CB 2.063 40.989 39.000 -0.125 0.000 1.170 429 F HN 0.556 nan 8.300 nan 0.000 0.450 430 N N 1.895 120.681 118.700 0.142 0.000 2.626 430 N HA 0.183 4.942 4.740 0.032 0.000 0.249 430 N C -0.800 174.677 175.510 -0.056 0.000 1.021 430 N CA -0.260 52.804 53.050 0.022 0.000 0.886 430 N CB 0.480 38.977 38.487 0.016 0.000 1.149 430 N HN 0.547 nan 8.380 nan 0.000 0.517 431 N N 1.976 120.588 118.700 -0.146 0.000 2.273 431 N HA 0.157 4.916 4.740 0.032 0.000 0.231 431 N C -1.035 174.298 175.510 -0.295 0.000 1.134 431 N CA -0.165 52.765 53.050 -0.200 0.000 0.856 431 N CB 0.279 38.622 38.487 -0.240 0.000 1.068 431 N HN 0.496 nan 8.380 nan 0.000 0.510 432 D N -0.579 119.564 120.400 -0.428 0.000 2.387 432 D HA 0.149 4.808 4.640 0.032 0.000 0.255 432 D C -0.214 175.743 176.300 -0.571 0.000 1.081 432 D CA -0.226 53.332 54.000 -0.737 0.000 0.994 432 D CB 1.059 40.985 40.800 -1.457 0.000 1.127 432 D HN 0.055 nan 8.370 nan 0.000 0.513 433 D N 0.615 120.716 120.400 -0.499 0.000 2.413 433 D HA 0.136 4.795 4.640 0.032 0.000 0.237 433 D C -0.186 176.166 176.300 0.086 0.000 1.171 433 D CA -0.005 53.923 54.000 -0.120 0.000 0.839 433 D CB -0.165 40.653 40.800 0.030 0.000 0.950 433 D HN 0.291 nan 8.370 nan 0.000 0.499 434 W N -0.949 120.368 121.300 0.028 0.000 3.042 434 W HA 0.448 5.128 4.660 0.034 0.000 0.342 434 W C -0.444 176.103 176.519 0.046 0.000 1.240 434 W CA -1.033 56.333 57.345 0.034 0.000 1.166 434 W CB 0.257 29.736 29.460 0.032 0.000 1.469 434 W HN -0.446 nan 8.180 nan 0.000 0.579 435 Q N 2.063 122.078 119.800 0.359 0.000 2.349 435 Q HA 0.143 4.502 4.340 0.032 0.000 0.287 435 Q C -0.898 175.276 176.000 0.289 0.000 1.044 435 Q CA 0.095 56.043 55.803 0.242 0.000 0.918 435 Q CB 1.092 29.944 28.738 0.190 0.000 1.242 435 Q HN 0.779 nan 8.270 nan 0.000 0.405 436 L N 2.021 123.353 121.223 0.181 0.000 2.305 436 L HA 0.398 4.757 4.340 0.032 0.000 0.284 436 L C -0.840 176.120 176.870 0.150 0.000 1.013 436 L CA -0.100 54.855 54.840 0.192 0.000 0.819 436 L CB 1.483 43.627 42.059 0.142 0.000 1.227 436 L HN 0.474 nan 8.230 nan 0.000 0.417 437 S N 3.257 119.050 115.700 0.155 0.000 2.776 437 S HA 0.784 5.273 4.470 0.032 0.000 0.284 437 S C -1.268 173.370 174.600 0.064 0.000 1.160 437 S CA -0.327 57.931 58.200 0.096 0.000 1.051 437 S CB 1.128 64.381 63.200 0.089 0.000 1.037 437 S HN 0.743 nan 8.310 nan 0.000 0.485 438 S N 2.305 118.004 115.700 -0.002 0.000 2.565 438 S HA 0.559 5.048 4.470 0.032 0.000 0.269 438 S C -1.337 173.211 174.600 -0.087 0.000 1.153 438 S CA -0.887 57.257 58.200 -0.093 0.000 0.835 438 S CB 1.975 64.959 63.200 -0.360 0.000 1.122 438 S HN 0.598 nan 8.310 nan 0.000 0.462 439 T N 2.645 117.131 114.554 -0.115 0.000 2.788 439 T HA 0.554 4.923 4.350 0.032 0.000 0.296 439 T C -0.983 173.635 174.700 -0.136 0.000 1.009 439 T CA -0.511 61.527 62.100 -0.103 0.000 0.949 439 T CB 0.191 69.004 68.868 -0.093 0.000 0.946 439 T HN 0.192 nan 8.240 nan 0.000 0.453 440 L N 2.901 124.081 121.223 -0.071 0.000 2.330 440 L HA 0.576 4.935 4.340 0.032 0.000 0.271 440 L C 0.196 176.971 176.870 -0.159 0.000 1.013 440 L CA -1.074 53.698 54.840 -0.113 0.000 0.816 440 L CB 1.486 43.516 42.059 -0.048 0.000 1.287 440 L HN 0.555 nan 8.230 nan 0.000 0.435 441 Q N 0.278 119.956 119.800 -0.202 0.000 2.294 441 Q HA 0.259 4.618 4.340 0.032 0.000 0.257 441 Q C 0.699 176.308 176.000 -0.651 0.000 0.955 441 Q CA 0.316 55.946 55.803 -0.288 0.000 0.936 441 Q CB 1.083 29.733 28.738 -0.147 0.000 1.188 441 Q HN 0.760 nan 8.270 nan 0.000 0.420 442 T N 0.406 114.460 114.554 -0.833 0.000 3.057 442 T HA 0.258 4.627 4.350 0.032 0.000 0.254 442 T C 1.298 175.610 174.700 -0.647 0.000 1.094 442 T CA 0.415 61.654 62.100 -1.434 0.000 1.088 442 T CB -0.089 68.212 68.868 -0.946 0.000 0.934 442 T HN 1.044 nan 8.240 nan 0.000 0.497 443 G N 1.040 109.630 108.800 -0.351 0.000 2.184 443 G HA2 -0.184 3.795 3.960 0.032 0.000 0.264 443 G HA3 -0.184 3.795 3.960 0.032 0.000 0.264 443 G C -0.210 174.618 174.900 -0.120 0.000 0.975 443 G CA 0.262 45.267 45.100 -0.158 0.000 0.642 443 G HN 0.553 nan 8.290 nan 0.000 0.536 444 L N 1.030 122.143 121.223 -0.184 0.000 2.357 444 L HA 0.596 4.955 4.340 0.032 0.000 0.273 444 L C -1.727 175.111 176.870 -0.053 0.000 1.080 444 L CA -2.441 52.327 54.840 -0.119 0.000 0.803 444 L CB 0.662 42.554 42.059 -0.278 0.000 1.174 444 L HN -0.150 nan 8.230 nan 0.000 0.443 445 P HA 0.136 nan 4.420 nan 0.000 0.268 445 P C -0.029 177.345 177.300 0.124 0.000 1.205 445 P CA -0.279 62.868 63.100 0.078 0.000 0.771 445 P CB 0.465 32.226 31.700 0.101 0.000 0.858 446 G N 1.567 110.399 108.800 0.054 0.000 2.474 446 G HA2 0.410 4.389 3.960 0.032 0.000 0.233 446 G HA3 0.410 4.389 3.960 0.032 0.000 0.233 446 G C 0.279 175.276 174.900 0.162 0.000 1.278 446 G CA 0.601 45.732 45.100 0.051 0.000 0.861 446 G HN 0.797 nan 8.290 nan 0.000 0.567 447 G N -0.485 108.458 108.800 0.240 0.000 2.343 447 G HA2 0.453 4.432 3.960 0.032 0.000 0.289 447 G HA3 0.453 4.432 3.960 0.032 0.000 0.289 447 G C -0.834 174.305 174.900 0.397 0.000 1.295 447 G CA -0.318 44.937 45.100 0.257 0.000 0.869 447 G HN 0.845 nan 8.290 nan 0.000 0.522 448 T N 1.023 115.676 114.554 0.165 0.000 2.770 448 T HA 0.648 5.017 4.350 0.032 0.000 0.283 448 T C -1.122 173.598 174.700 0.033 0.000 0.988 448 T CA 0.074 62.283 62.100 0.180 0.000 0.957 448 T CB 0.655 69.539 68.868 0.027 0.000 0.930 448 T HN 0.385 nan 8.240 nan 0.000 0.443 449 Y N 0.361 120.669 120.300 0.014 0.000 2.468 449 Y HA 0.430 4.999 4.550 0.031 0.000 0.342 449 Y C 0.497 176.376 175.900 -0.035 0.000 1.021 449 Y CA -1.254 56.835 58.100 -0.018 0.000 1.079 449 Y CB 1.176 39.627 38.460 -0.015 0.000 1.226 449 Y HN 0.532 nan 8.280 nan 0.000 0.460 450 c N 2.159 120.803 118.600 0.073 0.000 2.514 450 c HA 0.094 4.683 4.570 0.032 0.000 0.392 450 c C 0.311 174.407 174.090 0.010 0.000 1.294 450 c CA -0.618 55.719 56.329 0.014 0.000 1.957 450 c CB -0.534 41.956 42.510 -0.032 0.000 2.541 450 c HN 0.707 nan 8.230 nan 0.000 0.569 451 D N 2.041 122.443 120.400 0.003 0.000 2.346 451 D HA 0.100 4.759 4.640 0.032 0.000 0.260 451 D C 1.062 177.333 176.300 -0.048 0.000 1.252 451 D CA -0.255 53.734 54.000 -0.019 0.000 0.895 451 D CB 0.880 41.661 40.800 -0.032 0.000 1.097 451 D HN 0.451 nan 8.370 nan 0.000 0.489 452 V N 2.408 122.297 119.914 -0.042 0.000 3.510 452 V HA 0.032 4.171 4.120 0.032 0.000 0.270 452 V C 1.587 177.653 176.094 -0.046 0.000 1.201 452 V CA 0.682 62.976 62.300 -0.011 0.000 1.166 452 V CB -0.939 30.944 31.823 0.101 0.000 0.825 452 V HN 0.589 nan 8.190 nan 0.000 0.484 453 I N 1.303 121.782 120.570 -0.151 0.000 2.810 453 I HA -0.012 4.177 4.170 0.032 0.000 0.262 453 I C 2.504 178.510 176.117 -0.184 0.000 1.131 453 I CA 1.254 62.395 61.300 -0.266 0.000 1.453 453 I CB 0.016 37.632 38.000 -0.641 0.000 1.161 453 I HN 0.440 nan 8.210 nan 0.000 0.444 454 S N -0.292 115.320 115.700 -0.148 0.000 2.524 454 S HA 0.357 4.846 4.470 0.032 0.000 0.216 454 S C 0.769 175.334 174.600 -0.057 0.000 0.987 454 S CA 0.258 58.401 58.200 -0.096 0.000 0.909 454 S CB 0.268 63.417 63.200 -0.084 0.000 0.781 454 S HN 0.389 nan 8.310 nan 0.000 0.521 455 G N -0.285 108.486 108.800 -0.049 0.000 2.650 455 G HA2 0.522 4.501 3.960 0.032 0.000 0.310 455 G HA3 0.522 4.501 3.960 0.032 0.000 0.310 455 G C -2.376 172.508 174.900 -0.025 0.000 1.270 455 G CA -0.655 44.426 45.100 -0.031 0.000 0.810 455 G HN 0.208 nan 8.290 nan 0.000 0.493 456 D N -0.338 120.046 120.400 -0.027 0.000 2.596 456 D HA 0.321 4.980 4.640 0.032 0.000 0.234 456 D C -0.999 175.273 176.300 -0.046 0.000 1.181 456 D CA -0.591 53.387 54.000 -0.036 0.000 0.856 456 D CB 2.978 43.756 40.800 -0.035 0.000 1.498 456 D HN 0.406 nan 8.370 nan 0.000 0.446 457 K N 1.269 121.632 120.400 -0.061 0.000 2.262 457 K HA 0.374 4.713 4.320 0.032 0.000 0.282 457 K C -0.800 175.762 176.600 -0.064 0.000 1.066 457 K CA -0.499 55.752 56.287 -0.060 0.000 0.901 457 K CB 0.663 33.125 32.500 -0.064 0.000 1.089 457 K HN 0.284 nan 8.250 nan 0.000 0.476 458 V N 2.087 121.971 119.914 -0.051 0.000 2.483 458 V HA 0.742 4.881 4.120 0.032 0.000 0.297 458 V C 0.506 176.576 176.094 -0.040 0.000 1.027 458 V CA 0.126 62.398 62.300 -0.046 0.000 0.855 458 V CB 0.485 32.286 31.823 -0.036 0.000 0.995 458 V HN 1.058 nan 8.190 nan 0.000 0.424 459 G N 5.234 114.011 108.800 -0.039 0.000 2.583 459 G HA2 -0.347 3.632 3.960 0.032 0.000 0.292 459 G HA3 -0.347 3.632 3.960 0.032 0.000 0.292 459 G C 0.458 175.336 174.900 -0.037 0.000 1.203 459 G CA 0.718 45.798 45.100 -0.033 0.000 0.987 459 G HN 2.019 nan 8.290 nan 0.000 0.554 460 N N 1.045 119.724 118.700 -0.035 0.000 2.558 460 N HA 0.400 5.159 4.740 0.032 0.000 0.281 460 N C 0.101 175.586 175.510 -0.042 0.000 1.219 460 N CA 0.905 53.931 53.050 -0.040 0.000 0.942 460 N CB 0.071 38.536 38.487 -0.037 0.000 1.241 460 N HN 1.506 nan 8.380 nan 0.000 0.511 461 S N -1.322 114.353 115.700 -0.042 0.000 2.596 461 S HA 0.616 5.105 4.470 0.032 0.000 0.270 461 S C -0.992 173.584 174.600 -0.040 0.000 1.155 461 S CA -0.764 57.411 58.200 -0.040 0.000 0.827 461 S CB 1.084 64.263 63.200 -0.035 0.000 1.130 461 S HN 0.195 nan 8.310 nan 0.000 0.467 462 c N 1.591 120.168 118.600 -0.037 0.000 2.435 462 c HA 0.760 5.349 4.570 0.032 0.000 0.333 462 c C 2.069 176.141 174.090 -0.030 0.000 1.202 462 c CA 0.068 56.377 56.329 -0.034 0.000 1.830 462 c CB 1.145 43.637 42.510 -0.029 0.000 2.326 462 c HN 1.094 nan 8.230 nan 0.000 0.507 463 T N -1.049 113.488 114.554 -0.029 0.000 3.051 463 T HA 0.290 4.659 4.350 0.032 0.000 0.255 463 T C 0.823 175.508 174.700 -0.025 0.000 1.085 463 T CA 0.704 62.789 62.100 -0.025 0.000 1.109 463 T CB 0.130 68.985 68.868 -0.022 0.000 0.921 463 T HN 0.865 nan 8.240 nan 0.000 0.488 464 G N 1.182 109.966 108.800 -0.027 0.000 3.212 464 G HA2 0.584 4.563 3.960 0.032 0.000 0.188 464 G HA3 0.584 4.563 3.960 0.032 0.000 0.188 464 G C -0.597 174.287 174.900 -0.025 0.000 1.254 464 G CA -1.094 43.989 45.100 -0.029 0.000 0.957 464 G HN 0.228 nan 8.290 nan 0.000 0.596 465 I N 0.960 121.514 120.570 -0.026 0.000 2.845 465 I HA 0.036 4.225 4.170 0.032 0.000 0.296 465 I C 0.389 176.502 176.117 -0.007 0.000 1.216 465 I CA 0.732 62.021 61.300 -0.017 0.000 1.438 465 I CB 0.082 38.073 38.000 -0.015 0.000 1.342 465 I HN 0.298 nan 8.210 nan 0.000 0.577 466 K N 4.995 125.392 120.400 -0.005 0.000 2.182 466 K HA 0.621 4.960 4.320 0.032 0.000 0.262 466 K C -0.984 175.623 176.600 0.013 0.000 0.957 466 K CA -0.684 55.609 56.287 0.010 0.000 0.842 466 K CB 2.319 34.817 32.500 -0.003 0.000 1.099 466 K HN 0.277 nan 8.250 nan 0.000 0.438 467 V N 3.406 123.346 119.914 0.043 0.000 2.448 467 V HA 0.195 4.334 4.120 0.032 0.000 0.295 467 V C -1.250 174.891 176.094 0.078 0.000 1.025 467 V CA -0.903 61.382 62.300 -0.025 0.000 0.859 467 V CB 1.103 32.888 31.823 -0.065 0.000 0.988 467 V HN 0.621 nan 8.190 nan 0.000 0.431 468 Y N 5.240 125.457 120.300 -0.137 0.000 2.369 468 Y HA 0.635 5.204 4.550 0.032 0.000 0.337 468 Y C -0.359 175.464 175.900 -0.128 0.000 0.961 468 Y CA -1.137 56.916 58.100 -0.079 0.000 1.186 468 Y CB 1.608 40.022 38.460 -0.077 0.000 1.139 468 Y HN 0.443 nan 8.280 nan 0.000 0.494 469 V N 7.792 127.507 119.914 -0.332 0.000 2.407 469 V HA 0.496 4.635 4.120 0.032 0.000 0.278 469 V C -0.087 175.607 176.094 -0.666 0.000 1.037 469 V CA -0.067 61.954 62.300 -0.465 0.000 0.900 469 V CB 0.611 32.265 31.823 -0.281 0.000 0.983 469 V HN 0.966 nan 8.190 nan 0.000 0.459 470 S N 4.499 119.794 115.700 -0.675 0.000 2.634 470 S HA 0.184 4.673 4.470 0.032 0.000 0.261 470 S C 1.624 176.080 174.600 -0.241 0.000 1.271 470 S CA 0.082 57.970 58.200 -0.520 0.000 0.985 470 S CB 1.115 64.087 63.200 -0.380 0.000 0.968 470 S HN 1.432 nan 8.310 nan 0.000 0.568 471 S N 0.727 116.348 115.700 -0.131 0.000 2.392 471 S HA -0.251 4.238 4.470 0.032 0.000 0.232 471 S C 1.189 175.740 174.600 -0.081 0.000 1.041 471 S CA 1.525 59.683 58.200 -0.070 0.000 1.026 471 S CB -1.160 62.019 63.200 -0.035 0.000 0.845 471 S HN 0.931 nan 8.310 nan 0.000 0.465 472 D N 0.687 121.026 120.400 -0.102 0.000 2.324 472 D HA 0.235 4.894 4.640 0.032 0.000 0.235 472 D C 1.421 177.648 176.300 -0.122 0.000 1.095 472 D CA 0.655 54.599 54.000 -0.093 0.000 0.871 472 D CB -0.732 40.019 40.800 -0.082 0.000 0.906 472 D HN 0.670 nan 8.370 nan 0.000 0.522 473 G N 0.148 108.856 108.800 -0.154 0.000 2.225 473 G HA2 -0.296 3.683 3.960 0.032 0.000 0.254 473 G HA3 -0.296 3.683 3.960 0.032 0.000 0.254 473 G C 0.559 175.304 174.900 -0.258 0.000 0.988 473 G CA 0.648 45.632 45.100 -0.193 0.000 0.625 473 G HN 0.803 nan 8.290 nan 0.000 0.527 474 T N -1.282 113.129 114.554 -0.238 0.000 2.882 474 T HA 0.856 5.225 4.350 0.032 0.000 0.287 474 T C 0.075 174.588 174.700 -0.312 0.000 1.014 474 T CA 0.653 62.604 62.100 -0.248 0.000 1.049 474 T CB 2.231 70.988 68.868 -0.185 0.000 1.001 474 T HN 1.950 nan 8.240 nan 0.000 0.525 475 A N 1.159 123.788 122.820 -0.318 0.000 2.594 475 A HA 0.654 4.992 4.320 0.032 0.000 0.295 475 A C -0.931 176.369 177.584 -0.473 0.000 1.071 475 A CA -0.979 50.783 52.037 -0.459 0.000 0.685 475 A CB 1.833 20.449 19.000 -0.640 0.000 1.285 475 A HN 0.805 nan 8.150 nan 0.000 0.405 476 Q N 0.362 119.887 119.800 -0.459 0.000 2.267 476 Q HA 0.686 5.045 4.340 0.032 0.000 0.255 476 Q C -1.896 173.800 176.000 -0.506 0.000 0.923 476 Q CA 0.326 55.934 55.803 -0.324 0.000 0.925 476 Q CB 0.298 28.928 28.738 -0.180 0.000 1.195 476 Q HN 0.437 nan 8.270 nan 0.000 0.417 477 F N 1.263 121.153 119.950 -0.099 0.000 2.520 477 F HA 0.567 5.114 4.527 0.033 0.000 0.322 477 F C -0.253 175.510 175.800 -0.062 0.000 1.103 477 F CA -0.589 57.359 58.000 -0.085 0.000 0.926 477 F CB 2.547 41.476 39.000 -0.118 0.000 1.154 477 F HN 0.398 nan 8.300 nan 0.000 0.453 478 S N 4.377 120.163 115.700 0.144 0.000 2.779 478 S HA 0.639 5.128 4.470 0.032 0.000 0.293 478 S C -1.312 173.339 174.600 0.086 0.000 1.150 478 S CA -0.434 57.821 58.200 0.092 0.000 1.057 478 S CB 0.726 63.957 63.200 0.051 0.000 1.021 478 S HN 0.277 nan 8.310 nan 0.000 0.485 479 I N 2.694 123.314 120.570 0.084 0.000 2.439 479 I HA 0.376 4.565 4.170 0.032 0.000 0.285 479 I C 0.511 176.667 176.117 0.064 0.000 1.021 479 I CA -0.579 60.760 61.300 0.065 0.000 1.091 479 I CB 1.457 39.490 38.000 0.055 0.000 1.242 479 I HN 0.542 nan 8.210 nan 0.000 0.439 480 S N 5.220 120.953 115.700 0.055 0.000 2.565 480 S HA 0.124 4.613 4.470 0.032 0.000 0.276 480 S C 1.479 176.105 174.600 0.043 0.000 1.326 480 S CA -0.458 57.776 58.200 0.057 0.000 1.045 480 S CB 0.497 63.726 63.200 0.049 0.000 0.918 480 S HN 0.661 nan 8.310 nan 0.000 0.505 481 N N 2.937 121.660 118.700 0.038 0.000 2.519 481 N HA -0.120 4.639 4.740 0.032 0.000 0.186 481 N C 1.240 176.761 175.510 0.019 0.000 1.062 481 N CA 1.177 54.231 53.050 0.006 0.000 0.910 481 N CB -0.505 37.973 38.487 -0.015 0.000 0.958 481 N HN 0.587 nan 8.380 nan 0.000 0.445 482 S N -1.095 114.625 115.700 0.032 0.000 2.556 482 S HA 0.459 4.948 4.470 0.032 0.000 0.216 482 S C 0.879 175.497 174.600 0.029 0.000 0.970 482 S CA -0.391 57.827 58.200 0.030 0.000 0.912 482 S CB -0.079 63.140 63.200 0.032 0.000 0.790 482 S HN 0.490 nan 8.310 nan 0.000 0.504 483 A N 2.787 125.627 122.820 0.033 0.000 2.507 483 A HA 0.260 4.599 4.320 0.032 0.000 0.235 483 A C 1.721 179.324 177.584 0.032 0.000 1.070 483 A CA 0.229 52.284 52.037 0.029 0.000 0.768 483 A CB 0.183 19.202 19.000 0.031 0.000 1.011 483 A HN 0.558 nan 8.150 nan 0.000 0.502 484 E N 1.012 121.223 120.200 0.020 0.000 2.058 484 E HA -0.173 4.196 4.350 0.032 0.000 0.194 484 E C -0.605 176.025 176.600 0.050 0.000 0.997 484 E CA 1.617 58.028 56.400 0.019 0.000 0.801 484 E CB -0.224 29.473 29.700 -0.005 0.000 0.746 484 E HN 0.616 nan 8.360 nan 0.000 0.450 485 D N 2.178 122.610 120.400 0.052 0.000 2.420 485 D HA 0.175 4.834 4.640 0.032 0.000 0.255 485 D C -2.181 174.218 176.300 0.165 0.000 1.185 485 D CA -1.626 52.456 54.000 0.137 0.000 0.904 485 D CB 1.783 42.591 40.800 0.013 0.000 1.102 485 D HN 0.096 nan 8.370 nan 0.000 0.534 486 P HA -0.022 nan 4.420 nan 0.000 0.299 486 P C -0.557 176.945 177.300 0.336 0.000 1.515 486 P CA 0.190 63.425 63.100 0.224 0.000 0.770 486 P CB -0.975 30.811 31.700 0.143 0.000 1.614 487 F N -1.786 118.118 119.950 -0.078 0.000 2.650 487 F HA 0.608 5.153 4.527 0.031 0.000 0.310 487 F C -1.309 174.336 175.800 -0.260 0.000 1.112 487 F CA -1.727 56.124 58.000 -0.248 0.000 0.986 487 F CB 0.888 39.644 39.000 -0.406 0.000 1.285 487 F HN -0.380 nan 8.300 nan 0.000 0.440 488 I N 2.635 123.002 120.570 -0.339 0.000 2.693 488 I HA 0.860 5.049 4.170 0.032 0.000 0.303 488 I C -0.335 175.576 176.117 -0.343 0.000 1.025 488 I CA -1.161 59.955 61.300 -0.308 0.000 1.086 488 I CB 1.627 39.578 38.000 -0.081 0.000 1.268 488 I HN 0.989 nan 8.210 nan 0.000 0.440 489 A N 6.331 129.026 122.820 -0.209 0.000 2.517 489 A HA 0.826 5.165 4.320 0.032 0.000 0.297 489 A C -1.164 176.464 177.584 0.073 0.000 1.050 489 A CA -0.423 51.554 52.037 -0.100 0.000 0.694 489 A CB 2.122 21.020 19.000 -0.171 0.000 1.277 489 A HN 0.586 nan 8.150 nan 0.000 0.400 490 I N -0.283 120.400 120.570 0.188 0.000 2.894 490 I HA 0.911 5.100 4.170 0.032 0.000 0.302 490 I C -0.927 175.289 176.117 0.164 0.000 1.188 490 I CA -0.682 60.679 61.300 0.101 0.000 1.014 490 I CB 1.225 39.261 38.000 0.060 0.000 1.242 490 I HN 1.031 nan 8.210 nan 0.000 0.430 491 H N 2.608 121.825 119.070 0.244 0.000 2.942 491 H HA 0.822 5.398 4.556 0.034 0.000 0.316 491 H C 0.603 176.082 175.328 0.252 0.000 1.323 491 H CA -0.236 55.871 56.048 0.100 0.000 1.144 491 H CB 0.805 30.468 29.762 -0.166 0.000 1.866 491 H HN 0.646 nan 8.280 nan 0.000 0.545 492 A N 0.069 123.112 122.820 0.372 0.000 1.927 492 A HA -0.225 4.114 4.320 0.032 0.000 0.220 492 A C 1.406 179.147 177.584 0.262 0.000 1.185 492 A CA 2.093 54.295 52.037 0.275 0.000 0.639 492 A CB -0.900 18.178 19.000 0.131 0.000 0.820 492 A HN 0.797 nan 8.150 nan 0.000 0.451 493 E N -0.294 120.190 120.200 0.473 0.000 2.465 493 E HA 0.033 4.402 4.350 0.032 0.000 0.191 493 E C 1.224 178.024 176.600 0.333 0.000 1.053 493 E CA 0.490 57.127 56.400 0.396 0.000 0.869 493 E CB 0.051 30.035 29.700 0.475 0.000 0.977 493 E HN 0.726 nan 8.360 nan 0.000 0.483 494 S N 0.229 116.012 115.700 0.138 0.000 2.539 494 S HA 0.084 4.573 4.470 0.032 0.000 0.221 494 S C 0.594 175.123 174.600 -0.119 0.000 0.987 494 S CA -0.496 57.645 58.200 -0.099 0.000 0.929 494 S CB 0.092 63.028 63.200 -0.440 0.000 0.832 494 S HN -0.006 nan 8.310 nan 0.000 0.492 495 K N 1.563 121.832 120.400 -0.218 0.000 2.379 495 K HA 0.260 4.599 4.320 0.032 0.000 0.284 495 K C -0.175 176.249 176.600 -0.295 0.000 1.044 495 K CA -0.621 55.330 56.287 -0.560 0.000 0.974 495 K CB 0.312 32.332 32.500 -0.799 0.000 0.962 495 K HN 0.156 nan 8.250 nan 0.000 0.474 496 L N 0.000 121.068 121.223 -0.259 0.000 2.949 496 L HA 0.000 4.359 4.340 0.032 0.000 0.249 496 L CA 0.000 54.752 54.840 -0.147 0.000 0.813 496 L CB 0.000 41.994 42.059 -0.108 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502