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 3l7k_1_A DATA FIRST_RESID 314 DATA SEQUENCE FKVNQFRKTL RHVKNIVLRR KNKERSLYDL TDKEDNVKPK TIVFESFGGK DATA SEQUENCE NYSDSPKYIY EYMQKYYPNY RYIWSFKNPD KNVVPGSAEK VKRNSAEYYQ DATA SEQUENCE AYSEASHWVS NARTPLYLNK KENQTYIQTW NGTPLKRLAN DMKVVRMPGT DATA SEQUENCE TTPKYKRNFN RETSRWDYLI SPNRYSTEIF RSAFWMDEER ILEIGYPRND DATA SEQUENCE VLVNRANDQE YLDEIRTHLN LPSDKKVIMY APTWRDDEFV SKGKYLFELK DATA SEQUENCE IDLDNLYKEL GDDYVILLRM HYLISNALDL SGYENFAIDV SNYNDVSELF DATA SEQUENCE LISDCLITDY SSVMFDYGIL KRPQFFFAYD IDKYDKGLRG FYMNYMEDLP DATA SEQUENCE GPIYTEPYGL AKELKNLDKV QQQYQEKIDA FYDRFCSVDN GKASQYIGDL DATA SEQUENCE IHKDIKEQLE 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 314 F HA 0.000 nan 4.527 nan 0.000 0.279 314 F C 0.000 175.780 175.800 -0.033 0.000 0.967 314 F CA 0.000 57.979 58.000 -0.034 0.000 1.383 314 F CB 0.000 38.960 39.000 -0.067 0.000 1.145 315 K N 1.356 121.801 120.400 0.076 0.000 2.185 315 K HA 0.506 4.826 4.320 -0.000 0.000 0.271 315 K C 1.163 177.825 176.600 0.103 0.000 1.013 315 K CA -0.484 55.839 56.287 0.061 0.000 0.943 315 K CB 2.046 34.557 32.500 0.018 0.000 0.998 315 K HN 0.413 nan 8.250 nan 0.000 0.468 316 V N -0.669 119.298 119.914 0.089 0.000 2.626 316 V HA -0.222 3.898 4.120 -0.000 0.000 0.252 316 V C 1.123 177.304 176.094 0.145 0.000 1.067 316 V CA 1.470 63.850 62.300 0.134 0.000 1.081 316 V CB -0.526 31.351 31.823 0.090 0.000 0.686 316 V HN 0.612 nan 8.190 nan 0.000 0.468 317 N N 0.285 119.035 118.700 0.084 0.000 2.207 317 N HA -0.064 4.676 4.740 -0.000 0.000 0.182 317 N C 1.957 177.498 175.510 0.051 0.000 1.020 317 N CA 1.452 54.534 53.050 0.053 0.000 0.858 317 N CB -0.469 38.029 38.487 0.018 0.000 0.991 317 N HN 0.483 nan 8.380 nan 0.000 0.427 318 Q N -0.203 119.631 119.800 0.057 0.000 2.124 318 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 318 Q C 1.767 177.832 176.000 0.107 0.000 0.977 318 Q CA 0.729 56.559 55.803 0.045 0.000 0.850 318 Q CB -0.437 28.311 28.738 0.017 0.000 0.901 318 Q HN 0.362 nan 8.270 nan 0.000 0.429 319 F N 1.440 121.401 119.950 0.019 0.000 2.171 319 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 319 F C 2.186 178.003 175.800 0.028 0.000 1.090 319 F CA 1.240 59.264 58.000 0.040 0.000 1.293 319 F CB 0.030 39.066 39.000 0.059 0.000 1.013 319 F HN -0.056 nan 8.300 nan 0.000 0.486 320 R N 0.208 120.675 120.500 -0.056 0.000 2.073 320 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 320 R C 2.140 178.363 176.300 -0.129 0.000 1.120 320 R CA 1.486 57.498 56.100 -0.146 0.000 0.967 320 R CB -0.275 30.006 30.300 -0.032 0.000 0.862 320 R HN 0.250 nan 8.270 nan 0.000 0.436 321 K N -0.432 119.927 120.400 -0.069 0.000 2.211 321 K HA -0.045 4.275 4.320 -0.000 0.000 0.203 321 K C 1.955 178.522 176.600 -0.056 0.000 1.050 321 K CA 1.305 57.559 56.287 -0.055 0.000 0.945 321 K CB 0.002 32.470 32.500 -0.054 0.000 0.732 321 K HN 0.074 nan 8.250 nan 0.000 0.451 322 T N 1.343 115.848 114.554 -0.082 0.000 2.732 322 T HA -0.053 4.297 4.350 -0.000 0.000 0.261 322 T C 1.593 176.246 174.700 -0.079 0.000 1.040 322 T CA 0.753 62.819 62.100 -0.057 0.000 1.145 322 T CB -0.057 68.800 68.868 -0.018 0.000 0.866 322 T HN -0.024 nan 8.240 nan 0.000 0.427 323 L N 1.235 122.313 121.223 -0.243 0.000 2.083 323 L HA 0.066 4.406 4.340 -0.000 0.000 0.209 323 L C 2.487 179.286 176.870 -0.118 0.000 1.083 323 L CA 1.536 56.237 54.840 -0.232 0.000 0.752 323 L CB -0.893 40.919 42.059 -0.412 0.000 0.899 323 L HN 0.155 nan 8.230 nan 0.000 0.433 324 R N -1.460 118.982 120.500 -0.098 0.000 2.083 324 R HA -0.250 4.090 4.340 -0.000 0.000 0.237 324 R C 2.429 178.719 176.300 -0.017 0.000 1.137 324 R CA 1.811 57.880 56.100 -0.053 0.000 0.951 324 R CB -0.300 29.977 30.300 -0.039 0.000 0.851 324 R HN 0.463 nan 8.270 nan 0.000 0.434 325 H N -0.466 118.556 119.070 -0.080 0.000 2.353 325 H HA -0.053 4.503 4.556 -0.000 0.000 0.300 325 H C 1.797 177.095 175.328 -0.049 0.000 1.090 325 H CA 1.970 57.981 56.048 -0.061 0.000 1.327 325 H CB -0.042 29.687 29.762 -0.055 0.000 1.383 325 H HN 0.045 nan 8.280 nan 0.000 0.508 326 V N 1.007 120.910 119.914 -0.018 0.000 2.332 326 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 326 V C 2.501 178.532 176.094 -0.105 0.000 1.055 326 V CA 2.317 64.583 62.300 -0.057 0.000 1.038 326 V CB -0.622 31.192 31.823 -0.014 0.000 0.651 326 V HN 0.475 nan 8.190 nan 0.000 0.450 327 K N 0.166 120.511 120.400 -0.092 0.000 2.057 327 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 327 K C 2.037 178.570 176.600 -0.110 0.000 1.049 327 K CA 1.847 58.083 56.287 -0.085 0.000 0.931 327 K CB -0.193 32.266 32.500 -0.069 0.000 0.714 327 K HN 0.418 nan 8.250 nan 0.000 0.440 328 N N 0.971 119.579 118.700 -0.153 0.000 2.084 328 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 328 N C 1.790 177.179 175.510 -0.202 0.000 1.030 328 N CA 1.121 54.069 53.050 -0.171 0.000 0.849 328 N CB -0.297 38.079 38.487 -0.185 0.000 1.012 328 N HN 0.124 nan 8.380 nan 0.000 0.423 329 I N 0.523 120.903 120.570 -0.316 0.000 2.163 329 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 329 I C 2.133 178.176 176.117 -0.123 0.000 1.085 329 I CA 0.861 62.016 61.300 -0.241 0.000 1.347 329 I CB -0.406 37.432 38.000 -0.270 0.000 1.044 329 I HN -0.081 nan 8.210 nan 0.000 0.408 330 V N -0.105 119.748 119.914 -0.103 0.000 2.548 330 V HA -0.166 3.954 4.120 -0.000 0.000 0.249 330 V C 2.035 178.097 176.094 -0.052 0.000 1.055 330 V CA 1.264 63.528 62.300 -0.061 0.000 1.065 330 V CB -0.342 31.453 31.823 -0.047 0.000 0.681 330 V HN 0.338 nan 8.190 nan 0.000 0.462 331 L N -0.722 120.465 121.223 -0.061 0.000 2.591 331 L HA 0.227 4.567 4.340 -0.000 0.000 0.228 331 L C 1.070 177.913 176.870 -0.046 0.000 1.133 331 L CA 0.169 54.980 54.840 -0.048 0.000 0.880 331 L CB -0.161 41.870 42.059 -0.047 0.000 1.033 331 L HN 0.305 nan 8.230 nan 0.000 0.450 332 R N 0.639 121.106 120.500 -0.054 0.000 3.531 332 R HA -0.128 4.212 4.340 -0.000 0.000 0.280 332 R C -0.141 176.133 176.300 -0.044 0.000 1.130 332 R CA 0.253 56.326 56.100 -0.045 0.000 0.757 332 R CB -1.189 29.093 30.300 -0.030 0.000 1.218 332 R HN 0.307 nan 8.270 nan 0.000 0.454 333 R N 1.226 121.692 120.500 -0.057 0.000 2.641 333 R HA 0.051 4.391 4.340 -0.000 0.000 0.269 333 R C 1.357 177.629 176.300 -0.045 0.000 1.074 333 R CA -0.243 55.826 56.100 -0.052 0.000 1.133 333 R CB 0.485 30.747 30.300 -0.063 0.000 1.029 333 R HN 0.143 nan 8.270 nan 0.000 0.488 334 K N 1.978 122.356 120.400 -0.036 0.000 2.288 334 K HA -0.061 4.259 4.320 -0.000 0.000 0.201 334 K C 0.681 177.267 176.600 -0.023 0.000 1.048 334 K CA 0.857 57.130 56.287 -0.024 0.000 0.956 334 K CB 0.255 32.742 32.500 -0.022 0.000 0.746 334 K HN 0.446 nan 8.250 nan 0.000 0.461 335 N N 1.671 120.343 118.700 -0.046 0.000 2.515 335 N HA -0.110 4.630 4.740 -0.000 0.000 0.185 335 N C 1.346 176.823 175.510 -0.054 0.000 1.109 335 N CA 0.504 53.517 53.050 -0.061 0.000 0.903 335 N CB 0.097 38.527 38.487 -0.095 0.000 0.969 335 N HN 0.384 nan 8.380 nan 0.000 0.450 336 K N 1.355 121.725 120.400 -0.051 0.000 2.189 336 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 336 K C 1.223 177.849 176.600 0.043 0.000 1.046 336 K CA 1.256 57.514 56.287 -0.048 0.000 0.928 336 K CB 0.004 32.449 32.500 -0.092 0.000 0.720 336 K HN -0.035 nan 8.250 nan 0.000 0.458 337 E N 1.016 121.230 120.200 0.024 0.000 2.077 337 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 337 E C 2.107 178.569 176.600 -0.230 0.000 0.989 337 E CA 1.190 57.612 56.400 0.037 0.000 0.800 337 E CB -0.160 29.651 29.700 0.184 0.000 0.746 337 E HN 0.472 nan 8.360 nan 0.000 0.452 338 R N 0.909 121.203 120.500 -0.342 0.000 2.062 338 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 338 R C 2.485 178.680 176.300 -0.176 0.000 1.136 338 R CA 1.886 57.657 56.100 -0.549 0.000 0.948 338 R CB -0.190 29.923 30.300 -0.312 0.000 0.845 338 R HN 0.161 nan 8.270 nan 0.000 0.430 339 S N 0.980 116.661 115.700 -0.032 0.000 2.382 339 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 339 S C 1.889 176.525 174.600 0.061 0.000 1.027 339 S CA 1.170 59.420 58.200 0.083 0.000 0.991 339 S CB -0.597 62.719 63.200 0.193 0.000 0.823 339 S HN 0.343 nan 8.310 nan 0.000 0.469 340 L N 1.352 122.626 121.223 0.085 0.000 1.976 340 L HA -0.037 4.303 4.340 -0.000 0.000 0.209 340 L C 2.278 179.081 176.870 -0.111 0.000 1.071 340 L CA 1.934 56.673 54.840 -0.169 0.000 0.746 340 L CB -1.548 40.526 42.059 0.024 0.000 0.890 340 L HN 0.366 nan 8.230 nan 0.000 0.432 341 Y N 0.369 120.562 120.300 -0.179 0.000 2.151 341 Y HA -0.314 4.236 4.550 -0.000 0.000 0.284 341 Y C 2.293 178.137 175.900 -0.092 0.000 1.166 341 Y CA 2.232 60.250 58.100 -0.138 0.000 1.163 341 Y CB -0.697 37.602 38.460 -0.268 0.000 0.974 341 Y HN 0.462 nan 8.280 nan 0.000 0.511 342 D N 0.005 120.228 120.400 -0.296 0.000 2.178 342 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 342 D C 2.130 178.269 176.300 -0.269 0.000 0.980 342 D CA 1.309 55.110 54.000 -0.332 0.000 0.842 342 D CB -0.262 40.474 40.800 -0.106 0.000 0.948 342 D HN 0.503 nan 8.370 nan 0.000 0.472 343 L N -0.070 121.022 121.223 -0.220 0.000 1.988 343 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 343 L C 2.649 179.413 176.870 -0.176 0.000 1.071 343 L CA 1.737 56.464 54.840 -0.187 0.000 0.744 343 L CB -0.781 41.145 42.059 -0.222 0.000 0.893 343 L HN 0.185 nan 8.230 nan 0.000 0.433 344 T N -3.739 110.710 114.554 -0.175 0.000 3.055 344 T HA -0.103 4.247 4.350 -0.000 0.000 0.265 344 T C 0.725 175.350 174.700 -0.125 0.000 1.111 344 T CA -0.044 61.982 62.100 -0.124 0.000 1.118 344 T CB -0.426 68.394 68.868 -0.079 0.000 0.909 344 T HN 0.096 nan 8.240 nan 0.000 0.501 345 D N 2.615 122.889 120.400 -0.211 0.000 2.488 345 D HA 0.249 4.889 4.640 -0.000 0.000 0.238 345 D C -0.085 176.139 176.300 -0.127 0.000 1.138 345 D CA 0.477 54.354 54.000 -0.205 0.000 0.873 345 D CB 0.402 40.945 40.800 -0.428 0.000 1.183 345 D HN 0.756 nan 8.370 nan 0.000 0.458 346 K N 1.179 121.536 120.400 -0.072 0.000 2.660 346 K HA 0.196 4.516 4.320 -0.000 0.000 0.285 346 K C 0.228 176.808 176.600 -0.033 0.000 0.997 346 K CA -0.821 55.433 56.287 -0.056 0.000 0.861 346 K CB 0.549 33.016 32.500 -0.055 0.000 1.469 346 K HN 0.020 nan 8.250 nan 0.000 0.395 347 E N 0.904 121.083 120.200 -0.036 0.000 2.147 347 E HA -0.223 4.127 4.350 -0.000 0.000 0.199 347 E C 0.495 177.084 176.600 -0.018 0.000 1.005 347 E CA 2.401 58.783 56.400 -0.030 0.000 0.810 347 E CB -0.175 29.502 29.700 -0.037 0.000 0.736 347 E HN 0.593 nan 8.360 nan 0.000 0.460 348 D N -0.607 119.782 120.400 -0.018 0.000 2.309 348 D HA -0.099 4.541 4.640 -0.000 0.000 0.212 348 D C 0.758 177.058 176.300 0.000 0.000 0.968 348 D CA 0.777 54.770 54.000 -0.011 0.000 0.882 348 D CB -0.222 40.569 40.800 -0.014 0.000 0.918 348 D HN 0.348 nan 8.370 nan 0.000 0.503 349 N N -0.488 118.217 118.700 0.008 0.000 2.515 349 N HA -0.005 4.735 4.740 -0.000 0.000 0.185 349 N C -0.319 175.209 175.510 0.030 0.000 1.109 349 N CA -0.075 52.990 53.050 0.025 0.000 0.903 349 N CB 0.636 39.150 38.487 0.043 0.000 0.969 349 N HN -0.031 nan 8.380 nan 0.000 0.450 350 V N 2.622 122.548 119.914 0.020 0.000 2.370 350 V HA 0.056 4.176 4.120 -0.000 0.000 0.257 350 V C 0.090 176.192 176.094 0.012 0.000 1.064 350 V CA -0.195 62.117 62.300 0.019 0.000 0.975 350 V CB 0.123 31.947 31.823 0.001 0.000 1.067 350 V HN 0.142 nan 8.190 nan 0.000 0.485 351 K N 7.045 127.455 120.400 0.017 0.000 2.316 351 K HA 0.258 4.578 4.320 -0.000 0.000 0.289 351 K C -1.810 174.793 176.600 0.005 0.000 1.070 351 K CA -1.457 54.837 56.287 0.013 0.000 0.928 351 K CB 1.046 33.556 32.500 0.017 0.000 1.039 351 K HN 0.297 nan 8.250 nan 0.000 0.480 352 P HA -0.175 nan 4.420 nan 0.000 0.230 352 P C -0.039 177.221 177.300 -0.066 0.000 1.158 352 P CA 1.030 64.121 63.100 -0.015 0.000 0.769 352 P CB 0.103 31.797 31.700 -0.011 0.000 0.807 353 K N -1.792 118.592 120.400 -0.026 0.000 2.681 353 K HA 0.262 4.582 4.320 -0.000 0.000 0.211 353 K C -0.389 176.169 176.600 -0.071 0.000 1.075 353 K CA -0.254 56.014 56.287 -0.032 0.000 1.141 353 K CB -0.232 32.428 32.500 0.268 0.000 0.896 353 K HN -0.240 nan 8.250 nan 0.000 0.470 354 T N 2.033 116.535 114.554 -0.087 0.000 2.797 354 T HA 0.498 4.848 4.350 -0.000 0.000 0.279 354 T C -0.580 174.075 174.700 -0.073 0.000 0.991 354 T CA -0.582 61.471 62.100 -0.078 0.000 0.979 354 T CB 0.935 69.784 68.868 -0.031 0.000 0.943 354 T HN 0.216 nan 8.240 nan 0.000 0.444 355 I N 3.678 124.210 120.570 -0.062 0.000 2.447 355 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 355 I C -0.219 175.968 176.117 0.117 0.000 1.023 355 I CA -1.330 60.011 61.300 0.068 0.000 1.083 355 I CB 1.903 40.026 38.000 0.205 0.000 1.245 355 I HN 0.304 nan 8.210 nan 0.000 0.434 356 V N 3.024 122.887 119.914 -0.085 0.000 2.539 356 V HA 0.568 4.688 4.120 -0.000 0.000 0.292 356 V C -0.649 175.255 176.094 -0.317 0.000 1.045 356 V CA -0.612 61.506 62.300 -0.302 0.000 0.945 356 V CB 1.345 32.619 31.823 -0.916 0.000 0.993 356 V HN 0.463 nan 8.190 nan 0.000 0.464 357 F N 1.302 120.760 119.950 -0.821 0.000 2.520 357 F HA 0.693 5.220 4.527 -0.000 0.000 0.322 357 F C 0.190 175.333 175.800 -1.096 0.000 1.103 357 F CA -0.441 56.879 58.000 -1.134 0.000 0.926 357 F CB 2.154 39.879 39.000 -2.125 0.000 1.154 357 F HN 0.608 nan 8.300 nan 0.000 0.453 358 E N 1.496 121.331 120.200 -0.608 0.000 2.308 358 E HA 0.399 4.749 4.350 -0.000 0.000 0.275 358 E C -1.725 174.749 176.600 -0.210 0.000 0.890 358 E CA -0.525 55.668 56.400 -0.346 0.000 0.754 358 E CB 2.296 31.891 29.700 -0.174 0.000 1.207 358 E HN 0.510 nan 8.360 nan 0.000 0.426 359 S N 3.314 119.021 115.700 0.011 0.000 2.502 359 S HA 0.438 4.908 4.470 -0.000 0.000 0.304 359 S C -0.454 174.204 174.600 0.095 0.000 1.097 359 S CA -0.321 57.894 58.200 0.025 0.000 1.045 359 S CB 0.199 63.566 63.200 0.278 0.000 1.019 359 S HN 0.577 nan 8.310 nan 0.000 0.481 360 F N 2.723 122.691 119.950 0.030 0.000 3.019 360 F HA -0.180 4.347 4.527 -0.000 0.000 0.259 360 F C 1.561 177.372 175.800 0.019 0.000 0.976 360 F CA 1.373 59.378 58.000 0.008 0.000 0.876 360 F CB -1.705 37.306 39.000 0.019 0.000 0.784 360 F HN 1.189 nan 8.300 nan 0.000 0.786 361 G N -0.994 107.873 108.800 0.112 0.000 2.198 361 G HA2 0.169 4.129 3.960 -0.000 0.000 0.260 361 G HA3 0.169 4.129 3.960 -0.000 0.000 0.260 361 G C 1.256 176.203 174.900 0.079 0.000 1.025 361 G CA 0.938 46.081 45.100 0.070 0.000 0.769 361 G HN 2.256 nan 8.290 nan 0.000 0.507 362 G N -0.484 108.384 108.800 0.112 0.000 2.149 362 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.235 362 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.235 362 G C 0.978 176.032 174.900 0.257 0.000 1.018 362 G CA 1.380 46.566 45.100 0.143 0.000 0.728 362 G HN 1.803 nan 8.290 nan 0.000 0.508 363 K N -1.305 119.246 120.400 0.251 0.000 2.284 363 K HA 0.215 4.535 4.320 -0.000 0.000 0.198 363 K C 0.677 177.442 176.600 0.276 0.000 1.048 363 K CA 0.626 57.035 56.287 0.204 0.000 0.987 363 K CB 0.272 32.834 32.500 0.103 0.000 0.800 363 K HN 0.260 nan 8.250 nan 0.000 0.486 364 N N -0.340 118.596 118.700 0.394 0.000 2.509 364 N HA 0.178 4.918 4.740 -0.000 0.000 0.280 364 N C -2.112 173.778 175.510 0.634 0.000 1.306 364 N CA -0.769 52.516 53.050 0.393 0.000 0.782 364 N CB 1.275 39.958 38.487 0.325 0.000 1.493 364 N HN 0.148 nan 8.380 nan 0.000 0.498 365 Y N 1.123 121.600 120.300 0.295 0.000 2.587 365 Y HA 0.560 5.110 4.550 -0.000 0.000 0.328 365 Y C -0.457 175.480 175.900 0.062 0.000 0.980 365 Y CA -0.344 57.786 58.100 0.051 0.000 1.272 365 Y CB -0.247 38.077 38.460 -0.227 0.000 1.094 365 Y HN 0.577 nan 8.280 nan 0.000 0.503 366 S N 2.386 118.044 115.700 -0.070 0.000 2.800 366 S HA 0.615 5.085 4.470 -0.000 0.000 0.293 366 S C -0.628 174.058 174.600 0.144 0.000 1.209 366 S CA -0.354 57.857 58.200 0.018 0.000 0.884 366 S CB 1.608 64.929 63.200 0.202 0.000 1.244 366 S HN 0.693 nan 8.310 nan 0.000 0.540 367 D N 0.077 120.613 120.400 0.226 0.000 3.565 367 D HA -0.197 4.443 4.640 -0.000 0.000 0.257 367 D C 1.052 177.494 176.300 0.237 0.000 1.938 367 D CA 1.695 55.808 54.000 0.188 0.000 1.130 367 D CB -1.122 39.696 40.800 0.030 0.000 0.859 367 D HN 0.546 nan 8.370 nan 0.000 1.039 368 S N -0.655 115.112 115.700 0.112 0.000 2.423 368 S HA 0.011 4.481 4.470 -0.000 0.000 0.231 368 S C -1.432 173.334 174.600 0.277 0.000 1.014 368 S CA 1.394 59.699 58.200 0.176 0.000 0.965 368 S CB -0.402 62.859 63.200 0.101 0.000 0.785 368 S HN 0.378 nan 8.310 nan 0.000 0.495 369 P HA -0.057 nan 4.420 nan 0.000 0.221 369 P C 1.301 179.045 177.300 0.740 0.000 1.150 369 P CA 0.911 64.241 63.100 0.383 0.000 0.800 369 P CB 0.027 31.826 31.700 0.166 0.000 0.787 370 K N -0.860 119.887 120.400 0.579 0.000 2.097 370 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 370 K C 1.589 178.376 176.600 0.312 0.000 1.049 370 K CA 1.521 57.989 56.287 0.302 0.000 0.933 370 K CB -0.501 31.787 32.500 -0.355 0.000 0.717 370 K HN 0.067 nan 8.250 nan 0.000 0.442 371 Y N 0.751 121.216 120.300 0.275 0.000 2.314 371 Y HA 0.062 4.612 4.550 -0.000 0.000 0.294 371 Y C 1.943 178.031 175.900 0.312 0.000 1.119 371 Y CA 0.651 58.899 58.100 0.248 0.000 1.179 371 Y CB 0.032 38.601 38.460 0.183 0.000 1.025 371 Y HN -0.025 nan 8.280 nan 0.000 0.541 372 I N -0.984 119.894 120.570 0.512 0.000 2.756 372 I HA -0.295 3.875 4.170 -0.000 0.000 0.262 372 I C 1.962 178.478 176.117 0.665 0.000 1.225 372 I CA 1.294 62.882 61.300 0.480 0.000 1.472 372 I CB -0.268 37.964 38.000 0.386 0.000 1.094 372 I HN 0.260 nan 8.210 nan 0.000 0.454 373 Y N 1.719 122.347 120.300 0.547 0.000 2.205 373 Y HA -0.054 4.496 4.550 -0.000 0.000 0.292 373 Y C 2.331 178.308 175.900 0.130 0.000 1.119 373 Y CA 1.032 59.307 58.100 0.291 0.000 1.117 373 Y CB -0.321 38.264 38.460 0.207 0.000 1.037 373 Y HN 0.041 nan 8.280 nan 0.000 0.510 374 E N -0.686 119.459 120.200 -0.092 0.000 2.219 374 E HA -0.301 4.049 4.350 -0.000 0.000 0.198 374 E C 1.838 178.364 176.600 -0.124 0.000 0.998 374 E CA 1.642 57.880 56.400 -0.270 0.000 0.818 374 E CB -0.482 29.129 29.700 -0.148 0.000 0.741 374 E HN 0.667 nan 8.360 nan 0.000 0.477 375 Y N 0.723 121.002 120.300 -0.035 0.000 2.163 375 Y HA -0.161 4.389 4.550 -0.000 0.000 0.288 375 Y C 2.170 178.098 175.900 0.047 0.000 1.136 375 Y CA 1.557 59.665 58.100 0.013 0.000 1.147 375 Y CB -0.044 38.440 38.460 0.041 0.000 0.987 375 Y HN -0.084 nan 8.280 nan 0.000 0.509 376 M N -0.224 119.502 119.600 0.211 0.000 2.175 376 M HA -0.217 4.263 4.480 -0.000 0.000 0.264 376 M C 2.112 178.387 176.300 -0.040 0.000 1.063 376 M CA 1.258 56.719 55.300 0.268 0.000 1.119 376 M CB -0.290 32.659 32.600 0.581 0.000 1.377 376 M HN 0.278 nan 8.290 nan 0.000 0.415 377 Q N 0.502 120.049 119.800 -0.423 0.000 2.234 377 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 377 Q C 1.887 177.742 176.000 -0.242 0.000 0.980 377 Q CA 1.499 57.022 55.803 -0.467 0.000 0.869 377 Q CB -0.245 28.057 28.738 -0.726 0.000 0.912 377 Q HN 0.538 nan 8.270 nan 0.000 0.436 378 K N -0.731 119.543 120.400 -0.209 0.000 2.067 378 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 378 K C 1.271 177.707 176.600 -0.273 0.000 1.048 378 K CA 0.870 57.045 56.287 -0.187 0.000 0.954 378 K CB 0.097 32.550 32.500 -0.078 0.000 0.737 378 K HN 0.149 nan 8.250 nan 0.000 0.444 379 Y N -1.715 118.255 120.300 -0.551 0.000 2.449 379 Y HA 0.108 4.658 4.550 -0.000 0.000 0.254 379 Y C -0.209 175.186 175.900 -0.843 0.000 1.140 379 Y CA -0.474 57.167 58.100 -0.766 0.000 1.272 379 Y CB 0.847 38.621 38.460 -1.144 0.000 1.114 379 Y HN -0.001 nan 8.280 nan 0.000 0.525 380 Y N -1.453 118.878 120.300 0.051 0.000 2.712 380 Y HA 0.302 4.852 4.550 -0.000 0.000 0.287 380 Y C -2.386 173.591 175.900 0.128 0.000 0.944 380 Y CA -2.950 55.206 58.100 0.092 0.000 1.122 380 Y CB 0.152 38.812 38.460 0.333 0.000 1.182 380 Y HN -0.033 nan 8.280 nan 0.000 0.632 381 P HA -0.067 nan 4.420 nan 0.000 0.234 381 P C 0.799 178.179 177.300 0.134 0.000 1.167 381 P CA 1.130 64.327 63.100 0.162 0.000 0.763 381 P CB 0.320 32.037 31.700 0.028 0.000 0.835 382 N N -0.523 118.157 118.700 -0.034 0.000 2.104 382 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 382 N C 0.777 176.203 175.510 -0.139 0.000 1.024 382 N CA 1.212 54.153 53.050 -0.181 0.000 0.853 382 N CB -1.242 36.997 38.487 -0.414 0.000 1.008 382 N HN 0.318 nan 8.380 nan 0.000 0.424 383 Y N 0.651 120.994 120.300 0.071 0.000 2.299 383 Y HA 0.203 4.753 4.550 -0.000 0.000 0.335 383 Y C 1.249 177.012 175.900 -0.229 0.000 1.287 383 Y CA -1.042 56.958 58.100 -0.166 0.000 1.424 383 Y CB 0.656 38.869 38.460 -0.410 0.000 1.326 383 Y HN -0.210 nan 8.280 nan 0.000 0.567 384 R N 1.488 121.964 120.500 -0.041 0.000 2.248 384 R HA 0.209 4.549 4.340 -0.000 0.000 0.328 384 R C -1.949 174.249 176.300 -0.170 0.000 1.067 384 R CA -0.199 55.880 56.100 -0.035 0.000 0.924 384 R CB -0.021 30.283 30.300 0.007 0.000 1.013 384 R HN 0.565 nan 8.270 nan 0.000 0.454 385 Y N 5.103 125.507 120.300 0.173 0.000 2.328 385 Y HA 0.393 4.943 4.550 -0.000 0.000 0.337 385 Y C 0.166 176.112 175.900 0.077 0.000 1.008 385 Y CA -0.621 57.572 58.100 0.154 0.000 1.129 385 Y CB 1.333 39.945 38.460 0.252 0.000 1.185 385 Y HN 0.378 nan 8.280 nan 0.000 0.476 386 I N 2.706 123.358 120.570 0.136 0.000 2.465 386 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 386 I C -1.166 174.915 176.117 -0.059 0.000 1.014 386 I CA -0.714 60.610 61.300 0.040 0.000 1.093 386 I CB 1.486 39.441 38.000 -0.074 0.000 1.267 386 I HN 0.515 nan 8.210 nan 0.000 0.431 387 W N 4.221 125.440 121.300 -0.135 0.000 2.551 387 W HA 0.521 5.181 4.660 -0.000 0.000 0.330 387 W C 0.345 176.672 176.519 -0.320 0.000 1.063 387 W CA -0.381 56.809 57.345 -0.259 0.000 1.222 387 W CB 1.954 31.236 29.460 -0.297 0.000 1.349 387 W HN 0.288 nan 8.180 nan 0.000 0.536 388 S N 3.223 118.748 115.700 -0.291 0.000 2.451 388 S HA 0.791 5.261 4.470 -0.000 0.000 0.301 388 S C -1.219 173.160 174.600 -0.367 0.000 1.116 388 S CA -0.340 57.771 58.200 -0.148 0.000 1.093 388 S CB 0.135 63.363 63.200 0.048 0.000 1.017 388 S HN 0.239 nan 8.310 nan 0.000 0.482 389 F N 2.278 122.326 119.950 0.163 0.000 2.626 389 F HA 0.513 5.040 4.527 -0.000 0.000 0.311 389 F C 1.039 176.854 175.800 0.025 0.000 1.088 389 F CA -0.946 57.122 58.000 0.114 0.000 0.949 389 F CB 1.752 40.811 39.000 0.098 0.000 1.322 389 F HN 0.513 nan 8.300 nan 0.000 0.461 390 K N 0.166 120.701 120.400 0.225 0.000 2.062 390 K HA 0.066 4.386 4.320 -0.000 0.000 0.205 390 K C -0.246 176.395 176.600 0.068 0.000 1.051 390 K CA 1.105 57.440 56.287 0.080 0.000 0.941 390 K CB 0.048 32.577 32.500 0.049 0.000 0.719 390 K HN 0.366 nan 8.250 nan 0.000 0.440 391 N N 0.550 119.302 118.700 0.086 0.000 2.716 391 N HA 0.149 4.889 4.740 -0.000 0.000 0.253 391 N C -2.530 172.951 175.510 -0.047 0.000 1.170 391 N CA -1.135 51.920 53.050 0.010 0.000 0.807 391 N CB 1.628 40.097 38.487 -0.030 0.000 1.183 391 N HN -0.115 nan 8.380 nan 0.000 0.524 392 P HA -0.052 nan 4.420 nan 0.000 0.220 392 P C 0.579 177.763 177.300 -0.193 0.000 1.148 392 P CA 1.014 64.061 63.100 -0.090 0.000 0.803 392 P CB 0.468 32.227 31.700 0.098 0.000 0.782 393 D N -0.655 119.676 120.400 -0.114 0.000 2.363 393 D HA -0.032 4.608 4.640 -0.000 0.000 0.226 393 D C 0.906 177.121 176.300 -0.142 0.000 1.020 393 D CA 0.776 54.710 54.000 -0.111 0.000 0.892 393 D CB 0.020 40.781 40.800 -0.065 0.000 0.900 393 D HN 0.314 nan 8.370 nan 0.000 0.531 394 K N 0.535 120.824 120.400 -0.185 0.000 2.537 394 K HA 0.167 4.487 4.320 -0.000 0.000 0.206 394 K C -0.130 176.309 176.600 -0.269 0.000 1.041 394 K CA -0.210 55.967 56.287 -0.182 0.000 1.090 394 K CB 0.841 33.262 32.500 -0.132 0.000 0.833 394 K HN -0.080 nan 8.250 nan 0.000 0.493 395 N N 1.029 119.483 118.700 -0.409 0.000 2.430 395 N HA 0.154 4.894 4.740 -0.000 0.000 0.290 395 N C -1.215 174.003 175.510 -0.487 0.000 1.063 395 N CA -0.352 52.360 53.050 -0.563 0.000 0.883 395 N CB 2.729 40.475 38.487 -1.234 0.000 1.465 395 N HN -0.201 nan 8.380 nan 0.000 0.493 396 V N 2.806 122.505 119.914 -0.359 0.000 2.408 396 V HA 0.233 4.353 4.120 -0.000 0.000 0.267 396 V C 0.006 175.792 176.094 -0.514 0.000 1.047 396 V CA -0.277 61.827 62.300 -0.327 0.000 0.937 396 V CB 1.233 32.931 31.823 -0.209 0.000 0.999 396 V HN 0.293 nan 8.190 nan 0.000 0.472 397 V N 8.288 127.880 119.914 -0.537 0.000 2.376 397 V HA 0.358 4.478 4.120 -0.000 0.000 0.287 397 V C -2.182 173.649 176.094 -0.439 0.000 1.015 397 V CA -1.771 60.044 62.300 -0.807 0.000 0.834 397 V CB 1.685 33.059 31.823 -0.749 0.000 1.001 397 V HN 0.783 nan 8.190 nan 0.000 0.428 398 P HA 0.478 nan 4.420 nan 0.000 0.267 398 P C 0.496 177.770 177.300 -0.042 0.000 1.209 398 P CA 1.102 64.121 63.100 -0.135 0.000 0.763 398 P CB 0.557 32.214 31.700 -0.072 0.000 0.816 399 G N 2.145 110.919 108.800 -0.044 0.000 2.396 399 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.254 399 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.254 399 G C 0.886 175.812 174.900 0.044 0.000 1.248 399 G CA 0.030 45.122 45.100 -0.013 0.000 1.033 399 G HN 0.519 nan 8.290 nan 0.000 0.502 400 S N 0.001 115.756 115.700 0.093 0.000 2.470 400 S HA 0.516 4.986 4.470 -0.000 0.000 0.225 400 S C 1.577 176.283 174.600 0.176 0.000 1.006 400 S CA 1.673 59.950 58.200 0.129 0.000 0.934 400 S CB -0.233 63.069 63.200 0.170 0.000 0.778 400 S HN 2.339 nan 8.310 nan 0.000 0.517 401 A N 2.753 125.719 122.820 0.243 0.000 2.561 401 A HA 0.296 4.616 4.320 -0.000 0.000 0.234 401 A C 0.540 178.211 177.584 0.144 0.000 1.055 401 A CA -0.216 51.970 52.037 0.248 0.000 0.756 401 A CB -0.109 19.019 19.000 0.213 0.000 0.986 401 A HN 0.721 nan 8.150 nan 0.000 0.505 402 E N 2.128 122.416 120.200 0.146 0.000 2.250 402 E HA 0.560 4.910 4.350 -0.000 0.000 0.269 402 E C -0.920 175.767 176.600 0.145 0.000 1.018 402 E CA -0.966 55.501 56.400 0.111 0.000 0.873 402 E CB 1.164 30.916 29.700 0.088 0.000 1.134 402 E HN 0.566 nan 8.360 nan 0.000 0.403 403 K N 0.795 121.285 120.400 0.150 0.000 2.156 403 K HA 0.504 4.824 4.320 -0.000 0.000 0.254 403 K C -0.598 176.113 176.600 0.186 0.000 0.950 403 K CA -1.052 55.381 56.287 0.244 0.000 0.849 403 K CB 2.124 34.797 32.500 0.287 0.000 1.100 403 K HN 0.510 nan 8.250 nan 0.000 0.434 404 V N -1.466 118.574 119.914 0.210 0.000 2.709 404 V HA 0.430 4.550 4.120 -0.000 0.000 0.308 404 V C -0.577 175.625 176.094 0.181 0.000 1.062 404 V CA -1.186 61.210 62.300 0.161 0.000 0.901 404 V CB 1.592 33.490 31.823 0.126 0.000 1.003 404 V HN 0.736 nan 8.190 nan 0.000 0.425 405 K N 3.076 123.546 120.400 0.116 0.000 2.322 405 K HA 0.361 4.681 4.320 -0.000 0.000 0.283 405 K C 0.358 176.901 176.600 -0.095 0.000 1.042 405 K CA -0.459 55.858 56.287 0.049 0.000 0.958 405 K CB 0.679 33.192 32.500 0.022 0.000 0.984 405 K HN 0.844 nan 8.250 nan 0.000 0.473 406 R N 3.184 123.539 120.500 -0.241 0.000 2.585 406 R HA -0.100 4.240 4.340 -0.000 0.000 0.275 406 R C -0.103 175.733 176.300 -0.774 0.000 1.018 406 R CA 0.908 56.526 56.100 -0.804 0.000 1.072 406 R CB 0.076 30.059 30.300 -0.528 0.000 0.953 406 R HN 0.903 nan 8.270 nan 0.000 0.419 407 N N 0.549 118.481 118.700 -1.279 0.000 2.782 407 N HA -0.198 4.542 4.740 -0.000 0.000 0.251 407 N C -0.801 174.656 175.510 -0.088 0.000 1.101 407 N CA 1.277 54.028 53.050 -0.498 0.000 0.764 407 N CB -0.907 37.439 38.487 -0.236 0.000 1.122 407 N HN 0.690 nan 8.380 nan 0.000 0.561 408 S N -1.292 114.356 115.700 -0.086 0.000 2.768 408 S HA 0.813 5.283 4.470 -0.000 0.000 0.300 408 S C 1.432 176.180 174.600 0.246 0.000 1.122 408 S CA -0.071 58.190 58.200 0.101 0.000 0.995 408 S CB 2.007 65.241 63.200 0.057 0.000 1.195 408 S HN 0.184 nan 8.310 nan 0.000 0.547 409 A N 0.842 123.792 122.820 0.217 0.000 1.851 409 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 409 A C 1.876 179.588 177.584 0.214 0.000 1.195 409 A CA 1.976 54.158 52.037 0.242 0.000 0.622 409 A CB -1.574 17.521 19.000 0.158 0.000 0.831 409 A HN 0.890 nan 8.150 nan 0.000 0.444 410 E N -1.516 118.771 120.200 0.145 0.000 2.333 410 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 410 E C 1.576 178.226 176.600 0.084 0.000 1.007 410 E CA 1.162 57.625 56.400 0.104 0.000 0.845 410 E CB -0.432 29.318 29.700 0.083 0.000 0.766 410 E HN 0.822 nan 8.360 nan 0.000 0.507 411 Y N -0.517 119.744 120.300 -0.066 0.000 2.153 411 Y HA -0.223 4.327 4.550 -0.000 0.000 0.289 411 Y C 1.447 177.228 175.900 -0.199 0.000 1.127 411 Y CA 1.451 59.444 58.100 -0.179 0.000 1.131 411 Y CB -0.268 37.980 38.460 -0.354 0.000 0.995 411 Y HN 0.014 nan 8.280 nan 0.000 0.505 412 Y N 0.749 121.039 120.300 -0.017 0.000 2.293 412 Y HA -0.202 4.348 4.550 -0.000 0.000 0.291 412 Y C 2.627 178.477 175.900 -0.084 0.000 1.137 412 Y CA 1.573 59.492 58.100 -0.301 0.000 1.202 412 Y CB -0.780 37.483 38.460 -0.329 0.000 0.990 412 Y HN 0.227 nan 8.280 nan 0.000 0.537 413 Q N -0.001 119.889 119.800 0.150 0.000 1.948 413 Q HA -0.265 4.075 4.340 -0.000 0.000 0.205 413 Q C 2.647 178.667 176.000 0.032 0.000 0.992 413 Q CA 1.697 57.572 55.803 0.121 0.000 0.849 413 Q CB -0.539 28.255 28.738 0.093 0.000 0.918 413 Q HN 0.505 nan 8.270 nan 0.000 0.421 414 A N 0.316 123.090 122.820 -0.077 0.000 1.881 414 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 414 A C 1.902 179.325 177.584 -0.269 0.000 1.215 414 A CA 2.113 54.023 52.037 -0.211 0.000 0.648 414 A CB -1.350 17.435 19.000 -0.357 0.000 0.832 414 A HN 0.512 nan 8.150 nan 0.000 0.455 415 Y N -0.127 119.986 120.300 -0.312 0.000 2.274 415 Y HA -0.122 4.428 4.550 -0.000 0.000 0.290 415 Y C 3.180 179.154 175.900 0.123 0.000 1.145 415 Y CA 1.403 59.316 58.100 -0.313 0.000 1.203 415 Y CB -0.349 37.667 38.460 -0.739 0.000 0.984 415 Y HN 0.412 nan 8.280 nan 0.000 0.533 416 S N -0.228 115.660 115.700 0.313 0.000 2.368 416 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 416 S C 1.814 176.544 174.600 0.217 0.000 1.029 416 S CA 1.586 60.011 58.200 0.375 0.000 0.988 416 S CB -0.132 63.307 63.200 0.398 0.000 0.838 416 S HN 0.565 nan 8.310 nan 0.000 0.462 417 E N 0.904 121.186 120.200 0.137 0.000 2.170 417 E HA 0.243 4.593 4.350 -0.000 0.000 0.191 417 E C 0.890 177.530 176.600 0.067 0.000 0.981 417 E CA 0.380 56.828 56.400 0.080 0.000 0.830 417 E CB -0.096 29.632 29.700 0.047 0.000 0.775 417 E HN 0.591 nan 8.360 nan 0.000 0.470 418 A N 1.371 124.237 122.820 0.077 0.000 2.498 418 A HA 0.053 4.373 4.320 -0.000 0.000 0.239 418 A C 1.230 178.870 177.584 0.093 0.000 1.068 418 A CA 0.410 52.492 52.037 0.074 0.000 0.766 418 A CB 0.328 19.358 19.000 0.050 0.000 1.003 418 A HN 0.223 nan 8.150 nan 0.000 0.497 419 S N 0.877 116.618 115.700 0.068 0.000 2.524 419 S HA 0.167 4.637 4.470 -0.000 0.000 0.216 419 S C 0.212 174.836 174.600 0.040 0.000 0.987 419 S CA 0.486 58.719 58.200 0.055 0.000 0.909 419 S CB -0.191 63.076 63.200 0.111 0.000 0.781 419 S HN 0.779 nan 8.310 nan 0.000 0.521 420 H N -0.586 118.463 119.070 -0.035 0.000 2.934 420 H HA 0.455 5.011 4.556 -0.000 0.000 0.340 420 H C -1.784 173.620 175.328 0.127 0.000 1.008 420 H CA -0.705 55.334 56.048 -0.015 0.000 1.317 420 H CB 0.514 30.237 29.762 -0.064 0.000 1.670 420 H HN 0.224 nan 8.280 nan 0.000 0.516 421 W N 3.803 125.024 121.300 -0.133 0.000 2.316 421 W HA 0.509 5.169 4.660 -0.000 0.000 0.308 421 W C -0.587 175.797 176.519 -0.225 0.000 1.106 421 W CA -0.701 56.492 57.345 -0.253 0.000 1.262 421 W CB 0.911 30.116 29.460 -0.424 0.000 1.233 421 W HN 0.230 nan 8.180 nan 0.000 0.447 422 V N 3.903 123.657 119.914 -0.266 0.000 2.357 422 V HA 0.623 4.743 4.120 -0.000 0.000 0.284 422 V C -0.108 175.766 176.094 -0.366 0.000 1.018 422 V CA -0.501 61.564 62.300 -0.391 0.000 0.841 422 V CB 1.291 32.569 31.823 -0.909 0.000 0.991 422 V HN 0.490 nan 8.190 nan 0.000 0.437 423 S N 3.577 119.189 115.700 -0.148 0.000 2.570 423 S HA 0.495 4.965 4.470 -0.000 0.000 0.270 423 S C -0.404 174.117 174.600 -0.132 0.000 1.149 423 S CA -0.544 57.572 58.200 -0.139 0.000 0.837 423 S CB 1.798 64.964 63.200 -0.056 0.000 1.124 423 S HN 0.861 nan 8.310 nan 0.000 0.465 424 N N 1.383 119.957 118.700 -0.210 0.000 2.291 424 N HA 0.526 5.266 4.740 -0.000 0.000 0.244 424 N C -0.490 174.829 175.510 -0.318 0.000 1.216 424 N CA 0.121 53.001 53.050 -0.284 0.000 0.879 424 N CB 0.874 39.093 38.487 -0.447 0.000 1.167 424 N HN 0.736 nan 8.380 nan 0.000 0.515 425 A N 0.135 122.890 122.820 -0.109 0.000 2.586 425 A HA 0.609 4.929 4.320 -0.000 0.000 0.290 425 A C -1.005 176.729 177.584 0.249 0.000 1.086 425 A CA -0.966 51.088 52.037 0.028 0.000 0.665 425 A CB 1.002 19.978 19.000 -0.040 0.000 1.279 425 A HN 0.159 nan 8.150 nan 0.000 0.423 426 R N 0.973 121.695 120.500 0.371 0.000 2.502 426 R HA 0.313 4.652 4.340 -0.000 0.000 0.292 426 R C 0.493 176.882 176.300 0.149 0.000 0.998 426 R CA 0.890 57.163 56.100 0.289 0.000 1.056 426 R CB 0.076 30.407 30.300 0.051 0.000 0.939 426 R HN 0.793 nan 8.270 nan 0.000 0.411 427 T N 1.403 116.066 114.554 0.182 0.000 2.922 427 T HA 0.392 4.742 4.350 -0.000 0.000 0.285 427 T C -2.162 172.453 174.700 -0.142 0.000 1.005 427 T CA -2.217 59.840 62.100 -0.072 0.000 1.061 427 T CB 1.469 70.155 68.868 -0.303 0.000 1.007 427 T HN 0.222 nan 8.240 nan 0.000 0.502 428 P HA 0.149 nan 4.420 nan 0.000 0.269 428 P C 0.712 177.766 177.300 -0.410 0.000 1.217 428 P CA -0.308 62.516 63.100 -0.461 0.000 0.783 428 P CB 0.431 31.563 31.700 -0.947 0.000 0.898 429 L N 0.614 121.645 121.223 -0.319 0.000 2.307 429 L HA -0.072 4.268 4.340 -0.000 0.000 0.211 429 L C 2.044 178.886 176.870 -0.047 0.000 1.099 429 L CA 0.797 55.562 54.840 -0.125 0.000 0.816 429 L CB -0.670 41.361 42.059 -0.047 0.000 0.952 429 L HN 0.485 nan 8.230 nan 0.000 0.455 430 Y N -0.840 119.510 120.300 0.083 0.000 2.574 430 Y HA 0.053 4.603 4.550 -0.000 0.000 0.294 430 Y C 0.941 176.980 175.900 0.232 0.000 1.142 430 Y CA -0.291 57.889 58.100 0.134 0.000 1.314 430 Y CB -1.092 37.447 38.460 0.132 0.000 0.991 430 Y HN -0.038 nan 8.280 nan 0.000 0.555 431 L N 2.663 123.898 121.223 0.020 0.000 2.367 431 L HA 0.140 4.480 4.340 -0.000 0.000 0.275 431 L C -0.363 176.706 176.870 0.332 0.000 1.129 431 L CA -0.099 54.834 54.840 0.155 0.000 0.839 431 L CB 0.362 42.229 42.059 -0.319 0.000 1.133 431 L HN 0.231 nan 8.230 nan 0.000 0.453 432 N N 3.888 122.890 118.700 0.503 0.000 2.420 432 N HA 0.109 4.849 4.740 -0.000 0.000 0.249 432 N C -0.318 175.372 175.510 0.300 0.000 1.033 432 N CA -0.120 53.118 53.050 0.314 0.000 0.944 432 N CB 1.385 39.968 38.487 0.160 0.000 1.113 432 N HN 0.371 nan 8.380 nan 0.000 0.502 433 K N 3.228 123.689 120.400 0.102 0.000 2.244 433 K HA 0.134 4.454 4.320 -0.000 0.000 0.263 433 K C -0.248 176.225 176.600 -0.213 0.000 1.103 433 K CA -0.344 55.772 56.287 -0.284 0.000 0.966 433 K CB 0.281 32.537 32.500 -0.407 0.000 1.429 433 K HN 0.377 nan 8.250 nan 0.000 0.434 434 K N 1.185 121.478 120.400 -0.178 0.000 2.187 434 K HA -0.055 4.265 4.320 -0.000 0.000 0.247 434 K C 0.770 177.269 176.600 -0.169 0.000 1.019 434 K CA -0.123 56.085 56.287 -0.132 0.000 0.893 434 K CB 0.445 32.891 32.500 -0.090 0.000 1.025 434 K HN 0.321 nan 8.250 nan 0.000 0.500 435 E N 0.591 120.714 120.200 -0.128 0.000 2.520 435 E HA -0.156 4.194 4.350 -0.000 0.000 0.201 435 E C 0.517 177.036 176.600 -0.136 0.000 1.122 435 E CA 0.707 57.030 56.400 -0.128 0.000 0.896 435 E CB -0.158 29.484 29.700 -0.096 0.000 0.891 435 E HN 0.522 nan 8.360 nan 0.000 0.533 436 N N -0.790 117.818 118.700 -0.154 0.000 2.266 436 N HA 0.033 4.773 4.740 -0.000 0.000 0.217 436 N C -0.664 174.740 175.510 -0.176 0.000 1.211 436 N CA 0.161 53.131 53.050 -0.133 0.000 0.881 436 N CB 0.592 39.020 38.487 -0.098 0.000 1.153 436 N HN 0.021 nan 8.380 nan 0.000 0.489 437 Q N 0.073 119.716 119.800 -0.262 0.000 2.282 437 Q HA 0.428 4.768 4.340 -0.000 0.000 0.260 437 Q C -0.988 174.731 176.000 -0.468 0.000 0.964 437 Q CA -0.514 55.064 55.803 -0.374 0.000 0.880 437 Q CB 1.905 30.350 28.738 -0.488 0.000 1.286 437 Q HN -0.010 nan 8.270 nan 0.000 0.445 438 T N 2.501 116.703 114.554 -0.586 0.000 2.743 438 T HA 0.137 4.487 4.350 -0.000 0.000 0.293 438 T C -1.230 173.241 174.700 -0.382 0.000 0.945 438 T CA -0.190 61.582 62.100 -0.547 0.000 1.030 438 T CB 0.102 68.530 68.868 -0.734 0.000 0.912 438 T HN 0.298 nan 8.240 nan 0.000 0.483 439 Y N 5.222 125.300 120.300 -0.369 0.000 2.417 439 Y HA 0.497 5.047 4.550 -0.000 0.000 0.336 439 Y C -0.776 175.095 175.900 -0.048 0.000 0.961 439 Y CA -2.327 55.671 58.100 -0.170 0.000 1.215 439 Y CB -0.143 38.212 38.460 -0.176 0.000 1.120 439 Y HN 0.537 nan 8.280 nan 0.000 0.499 440 I N 6.141 126.914 120.570 0.340 0.000 2.325 440 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 440 I C -0.342 175.763 176.117 -0.020 0.000 1.019 440 I CA -0.551 60.837 61.300 0.148 0.000 1.302 440 I CB 1.128 39.218 38.000 0.151 0.000 1.401 440 I HN 0.448 nan 8.210 nan 0.000 0.485 441 Q N 4.590 124.201 119.800 -0.316 0.000 2.372 441 Q HA 0.222 4.562 4.340 -0.000 0.000 0.259 441 Q C 0.694 176.506 176.000 -0.313 0.000 0.993 441 Q CA -0.434 55.006 55.803 -0.605 0.000 0.854 441 Q CB 1.396 29.128 28.738 -1.677 0.000 1.231 441 Q HN 0.767 nan 8.270 nan 0.000 0.462 442 T N 1.218 115.688 114.554 -0.141 0.000 3.043 442 T HA 0.011 4.361 4.350 -0.000 0.000 0.263 442 T C 0.789 175.609 174.700 0.202 0.000 1.094 442 T CA 0.069 62.202 62.100 0.055 0.000 1.127 442 T CB -0.392 68.520 68.868 0.074 0.000 0.905 442 T HN 0.687 nan 8.240 nan 0.000 0.490 443 W N 2.923 124.085 121.300 -0.231 0.000 2.821 443 W HA -0.359 4.301 4.660 -0.000 0.000 0.186 443 W C -0.089 176.409 176.519 -0.035 0.000 0.640 443 W CA 1.153 58.420 57.345 -0.130 0.000 0.530 443 W CB -0.880 28.542 29.460 -0.064 0.000 2.132 443 W HN 0.571 nan 8.180 nan 0.000 0.382 444 N N 1.144 119.528 118.700 -0.527 0.000 2.143 444 N HA 0.501 5.241 4.740 -0.000 0.000 0.229 444 N C -0.158 175.194 175.510 -0.264 0.000 1.294 444 N CA 0.623 53.390 53.050 -0.471 0.000 0.883 444 N CB 1.174 39.383 38.487 -0.464 0.000 1.148 444 N HN 0.890 nan 8.380 nan 0.000 0.511 445 G N -1.179 107.673 108.800 0.086 0.000 2.358 445 G HA2 0.182 4.142 3.960 -0.000 0.000 0.303 445 G HA3 0.182 4.142 3.960 -0.000 0.000 0.303 445 G C -1.352 173.963 174.900 0.691 0.000 1.537 445 G CA -0.949 44.357 45.100 0.344 0.000 0.928 445 G HN -0.044 nan 8.290 nan 0.000 0.656 446 T N 3.303 118.213 114.554 0.593 0.000 2.867 446 T HA 0.431 4.781 4.350 -0.000 0.000 0.297 446 T C -2.071 172.796 174.700 0.278 0.000 0.989 446 T CA 0.235 62.500 62.100 0.276 0.000 1.159 446 T CB 0.837 69.580 68.868 -0.208 0.000 0.928 446 T HN 0.361 nan 8.240 nan 0.000 0.538 447 P HA 0.300 nan 4.420 nan 0.000 0.284 447 P C 0.213 177.785 177.300 0.455 0.000 1.253 447 P CA -0.566 62.781 63.100 0.412 0.000 0.800 447 P CB 1.019 32.972 31.700 0.422 0.000 0.961 448 L N 2.281 123.732 121.223 0.380 0.000 2.663 448 L HA 0.353 4.693 4.340 -0.000 0.000 0.218 448 L C 0.143 176.902 176.870 -0.184 0.000 1.043 448 L CA 0.998 55.943 54.840 0.174 0.000 0.876 448 L CB 0.023 42.117 42.059 0.059 0.000 1.263 448 L HN 0.060 nan 8.230 nan 0.000 0.486 449 K N 2.746 123.093 120.400 -0.089 0.000 2.249 449 K HA 0.275 4.595 4.320 -0.000 0.000 0.280 449 K C -0.453 176.061 176.600 -0.142 0.000 1.033 449 K CA -0.574 55.659 56.287 -0.090 0.000 0.946 449 K CB 0.810 33.350 32.500 0.066 0.000 1.005 449 K HN 0.231 nan 8.250 nan 0.000 0.469 450 R N 2.476 122.745 120.500 -0.385 0.000 2.590 450 R HA 0.187 4.527 4.340 -0.000 0.000 0.274 450 R C -0.437 175.824 176.300 -0.065 0.000 1.061 450 R CA -0.396 55.394 56.100 -0.517 0.000 1.081 450 R CB -0.146 29.798 30.300 -0.593 0.000 0.984 450 R HN 0.309 nan 8.270 nan 0.000 0.448 451 L N -0.459 120.793 121.223 0.049 0.000 2.376 451 L HA 0.838 5.178 4.340 -0.000 0.000 0.258 451 L C 0.473 177.265 176.870 -0.130 0.000 1.013 451 L CA -0.928 53.947 54.840 0.057 0.000 0.822 451 L CB 0.356 42.532 42.059 0.196 0.000 1.388 451 L HN 1.010 nan 8.230 nan 0.000 0.413 452 A N 1.306 124.056 122.820 -0.117 0.000 5.255 452 A HA -0.362 3.958 4.320 -0.000 0.000 0.295 452 A C 1.521 178.951 177.584 -0.257 0.000 2.040 452 A CA 1.522 53.306 52.037 -0.422 0.000 0.716 452 A CB -2.115 16.361 19.000 -0.873 0.000 1.229 452 A HN 1.164 nan 8.150 nan 0.000 0.358 453 N N 0.351 118.688 118.700 -0.606 0.000 2.166 453 N HA -0.085 4.655 4.740 -0.000 0.000 0.186 453 N C 0.906 176.251 175.510 -0.274 0.000 1.019 453 N CA 2.077 54.782 53.050 -0.574 0.000 0.856 453 N CB -0.549 37.175 38.487 -1.271 0.000 0.993 453 N HN 0.555 nan 8.380 nan 0.000 0.426 454 D N -0.277 119.969 120.400 -0.257 0.000 2.378 454 D HA 0.002 4.642 4.640 -0.000 0.000 0.227 454 D C 0.499 176.764 176.300 -0.058 0.000 1.012 454 D CA 0.264 54.195 54.000 -0.114 0.000 0.905 454 D CB -0.051 40.752 40.800 0.005 0.000 0.895 454 D HN 0.404 nan 8.370 nan 0.000 0.532 455 M N -0.366 119.210 119.600 -0.040 0.000 2.163 455 M HA 0.105 4.585 4.480 -0.000 0.000 0.305 455 M C 1.384 177.681 176.300 -0.005 0.000 1.166 455 M CA -0.030 55.264 55.300 -0.011 0.000 1.132 455 M CB 1.199 33.821 32.600 0.037 0.000 1.413 455 M HN -0.357 nan 8.290 nan 0.000 0.478 456 K N 0.335 120.726 120.400 -0.013 0.000 2.309 456 K HA 0.311 4.631 4.320 -0.000 0.000 0.210 456 K C -0.619 175.979 176.600 -0.002 0.000 1.114 456 K CA 0.418 56.699 56.287 -0.011 0.000 0.912 456 K CB 0.610 33.093 32.500 -0.029 0.000 1.198 456 K HN 0.443 nan 8.250 nan 0.000 0.471 457 V N 0.624 120.527 119.914 -0.019 0.000 2.823 457 V HA 0.597 4.717 4.120 -0.000 0.000 0.312 457 V C -1.618 174.450 176.094 -0.042 0.000 1.072 457 V CA -0.802 61.486 62.300 -0.020 0.000 0.937 457 V CB 2.247 34.054 31.823 -0.027 0.000 1.013 457 V HN -0.117 nan 8.190 nan 0.000 0.430 458 V N 7.059 126.942 119.914 -0.052 0.000 2.558 458 V HA 0.327 4.446 4.120 -0.000 0.000 0.261 458 V C 0.731 176.770 176.094 -0.091 0.000 0.958 458 V CA -0.427 61.802 62.300 -0.117 0.000 0.852 458 V CB 1.044 32.720 31.823 -0.246 0.000 1.067 458 V HN 0.946 nan 8.190 nan 0.000 0.468 459 R N 1.817 122.279 120.500 -0.064 0.000 2.391 459 R HA 0.162 4.502 4.340 -0.000 0.000 0.225 459 R C 0.181 176.458 176.300 -0.039 0.000 1.079 459 R CA -0.304 55.773 56.100 -0.039 0.000 1.147 459 R CB -0.169 30.114 30.300 -0.028 0.000 1.103 459 R HN 0.435 nan 8.270 nan 0.000 0.499 460 M N 2.835 122.394 119.600 -0.069 0.000 2.327 460 M HA 0.094 4.574 4.480 -0.000 0.000 0.353 460 M C -2.046 174.247 176.300 -0.011 0.000 1.539 460 M CA -2.250 53.018 55.300 -0.053 0.000 1.039 460 M CB 0.318 32.856 32.600 -0.102 0.000 1.967 460 M HN 0.010 nan 8.290 nan 0.000 0.459 461 P HA 0.163 nan 4.420 nan 0.000 0.262 461 P C 0.899 178.216 177.300 0.028 0.000 1.182 461 P CA 0.933 64.041 63.100 0.013 0.000 0.761 461 P CB 0.496 32.203 31.700 0.011 0.000 0.795 462 G N 1.008 109.826 108.800 0.030 0.000 2.217 462 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.246 462 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.246 462 G C 0.362 175.293 174.900 0.051 0.000 0.990 462 G CA 0.351 45.474 45.100 0.038 0.000 0.627 462 G HN 0.841 nan 8.290 nan 0.000 0.522 463 T N 0.076 114.666 114.554 0.060 0.000 2.883 463 T HA 0.698 5.048 4.350 -0.000 0.000 0.296 463 T C 0.151 174.896 174.700 0.075 0.000 1.117 463 T CA 0.898 63.048 62.100 0.084 0.000 1.006 463 T CB 1.685 70.635 68.868 0.137 0.000 1.191 463 T HN 1.051 nan 8.240 nan 0.000 0.508 464 T N 0.034 114.642 114.554 0.091 0.000 2.945 464 T HA 0.401 4.751 4.350 -0.000 0.000 0.286 464 T C 1.436 176.209 174.700 0.123 0.000 1.025 464 T CA -0.396 61.752 62.100 0.080 0.000 1.039 464 T CB 1.031 69.938 68.868 0.065 0.000 1.068 464 T HN 0.475 nan 8.240 nan 0.000 0.497 465 T N 2.741 117.356 114.554 0.101 0.000 2.624 465 T HA -0.051 4.299 4.350 -0.000 0.000 0.268 465 T C -0.879 173.934 174.700 0.189 0.000 1.041 465 T CA 2.007 64.194 62.100 0.145 0.000 1.159 465 T CB -1.402 67.522 68.868 0.093 0.000 0.863 465 T HN 0.595 nan 8.240 nan 0.000 0.434 466 P HA -0.094 nan 4.420 nan 0.000 0.216 466 P C 1.408 178.776 177.300 0.114 0.000 1.153 466 P CA 1.369 64.536 63.100 0.111 0.000 0.858 466 P CB 0.037 31.781 31.700 0.073 0.000 0.789 467 K N -1.626 118.847 120.400 0.121 0.000 2.137 467 K HA -0.112 4.208 4.320 -0.000 0.000 0.202 467 K C 2.192 178.881 176.600 0.148 0.000 1.052 467 K CA 0.825 57.175 56.287 0.105 0.000 0.961 467 K CB -0.976 31.580 32.500 0.093 0.000 0.741 467 K HN 0.063 nan 8.250 nan 0.000 0.452 468 Y N 1.032 121.389 120.300 0.096 0.000 2.293 468 Y HA -0.092 4.458 4.550 -0.000 0.000 0.291 468 Y C 1.317 177.344 175.900 0.211 0.000 1.137 468 Y CA 1.500 59.686 58.100 0.143 0.000 1.202 468 Y CB 0.205 38.758 38.460 0.154 0.000 0.990 468 Y HN -0.069 nan 8.280 nan 0.000 0.537 469 K N 0.188 120.726 120.400 0.230 0.000 2.062 469 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 469 K C 2.232 178.814 176.600 -0.031 0.000 1.051 469 K CA 1.281 57.691 56.287 0.205 0.000 0.941 469 K CB -0.245 32.472 32.500 0.362 0.000 0.719 469 K HN 0.257 nan 8.250 nan 0.000 0.440 470 R N 1.488 121.958 120.500 -0.049 0.000 2.094 470 R HA -0.161 4.179 4.340 -0.000 0.000 0.239 470 R C 1.936 178.111 176.300 -0.208 0.000 1.137 470 R CA 1.962 57.969 56.100 -0.156 0.000 0.943 470 R CB -0.101 30.155 30.300 -0.073 0.000 0.850 470 R HN 0.169 nan 8.270 nan 0.000 0.433 471 N N -0.421 118.197 118.700 -0.137 0.000 2.188 471 N HA -0.160 4.580 4.740 -0.000 0.000 0.184 471 N C 1.492 176.879 175.510 -0.206 0.000 1.018 471 N CA 1.015 53.973 53.050 -0.154 0.000 0.858 471 N CB -0.388 38.037 38.487 -0.103 0.000 0.989 471 N HN 0.159 nan 8.380 nan 0.000 0.426 472 F N 2.478 122.217 119.950 -0.351 0.000 2.146 472 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 472 F C 2.223 177.784 175.800 -0.398 0.000 1.096 472 F CA 0.941 58.756 58.000 -0.309 0.000 1.275 472 F CB -0.566 38.299 39.000 -0.225 0.000 1.008 472 F HN 0.029 nan 8.300 nan 0.000 0.480 473 N N 0.833 119.249 118.700 -0.474 0.000 2.104 473 N HA -0.207 4.533 4.740 -0.000 0.000 0.190 473 N C 2.007 177.182 175.510 -0.559 0.000 1.024 473 N CA 1.509 53.945 53.050 -1.023 0.000 0.853 473 N CB -0.344 37.062 38.487 -1.802 0.000 1.008 473 N HN 0.265 nan 8.380 nan 0.000 0.424 474 R N -0.117 120.135 120.500 -0.414 0.000 2.105 474 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 474 R C 1.940 178.067 176.300 -0.289 0.000 1.135 474 R CA 1.647 57.568 56.100 -0.298 0.000 0.967 474 R CB -0.165 30.008 30.300 -0.211 0.000 0.861 474 R HN 0.366 nan 8.270 nan 0.000 0.442 475 E N -0.027 119.970 120.200 -0.338 0.000 2.033 475 E HA -0.136 4.214 4.350 -0.000 0.000 0.189 475 E C 1.882 178.016 176.600 -0.776 0.000 0.979 475 E CA 2.144 58.313 56.400 -0.385 0.000 0.802 475 E CB -0.362 29.107 29.700 -0.385 0.000 0.763 475 E HN 0.258 nan 8.360 nan 0.000 0.449 476 T N -1.073 112.877 114.554 -1.007 0.000 2.803 476 T HA -0.234 4.116 4.350 -0.000 0.000 0.269 476 T C 2.075 176.323 174.700 -0.754 0.000 1.052 476 T CA 2.201 63.422 62.100 -1.465 0.000 1.136 476 T CB -1.005 67.341 68.868 -0.869 0.000 0.864 476 T HN 0.237 nan 8.240 nan 0.000 0.467 477 S N 2.138 117.558 115.700 -0.466 0.000 2.419 477 S HA -0.161 4.309 4.470 -0.000 0.000 0.235 477 S C 2.085 176.548 174.600 -0.228 0.000 1.019 477 S CA 0.887 58.916 58.200 -0.284 0.000 0.982 477 S CB -0.602 62.450 63.200 -0.247 0.000 0.789 477 S HN 0.784 nan 8.310 nan 0.000 0.490 478 R N -0.866 119.489 120.500 -0.242 0.000 2.317 478 R HA 0.147 4.487 4.340 -0.000 0.000 0.208 478 R C -0.487 175.778 176.300 -0.058 0.000 0.914 478 R CA -0.168 55.870 56.100 -0.103 0.000 1.060 478 R CB -0.042 30.276 30.300 0.030 0.000 1.015 478 R HN 0.406 nan 8.270 nan 0.000 0.498 479 W N 2.723 123.797 121.300 -0.376 0.000 2.659 479 W HA 0.081 4.741 4.660 -0.000 0.000 0.342 479 W C 0.495 176.802 176.519 -0.352 0.000 1.287 479 W CA -1.213 55.822 57.345 -0.516 0.000 1.460 479 W CB -0.160 29.013 29.460 -0.477 0.000 1.503 479 W HN 0.048 nan 8.180 nan 0.000 0.483 480 D N 1.430 121.728 120.400 -0.170 0.000 2.144 480 D HA -0.151 4.489 4.640 -0.000 0.000 0.200 480 D C -0.107 175.888 176.300 -0.508 0.000 0.978 480 D CA 1.663 55.450 54.000 -0.354 0.000 0.833 480 D CB 0.209 40.751 40.800 -0.430 0.000 0.961 480 D HN 0.186 nan 8.370 nan 0.000 0.470 481 Y N -0.872 119.399 120.300 -0.048 0.000 2.477 481 Y HA 0.472 5.022 4.550 -0.000 0.000 0.347 481 Y C -0.583 175.269 175.900 -0.079 0.000 0.981 481 Y CA -1.251 56.833 58.100 -0.025 0.000 1.033 481 Y CB 1.959 40.416 38.460 -0.005 0.000 1.245 481 Y HN -0.294 nan 8.280 nan 0.000 0.455 482 L N 4.124 125.435 121.223 0.147 0.000 2.406 482 L HA 0.637 4.977 4.340 -0.000 0.000 0.272 482 L C -1.240 175.685 176.870 0.092 0.000 0.980 482 L CA -0.576 54.277 54.840 0.022 0.000 0.831 482 L CB 0.894 43.004 42.059 0.085 0.000 1.253 482 L HN 0.587 nan 8.230 nan 0.000 0.406 483 I N 2.851 123.465 120.570 0.073 0.000 2.720 483 I HA 0.420 4.590 4.170 -0.000 0.000 0.287 483 I C 0.297 176.526 176.117 0.186 0.000 1.090 483 I CA -0.145 61.220 61.300 0.109 0.000 1.384 483 I CB 1.536 39.605 38.000 0.114 0.000 1.420 483 I HN 0.728 nan 8.210 nan 0.000 0.575 484 S N 4.713 120.463 115.700 0.084 0.000 2.572 484 S HA 0.459 4.929 4.470 -0.000 0.000 0.274 484 S C -2.310 172.196 174.600 -0.157 0.000 1.150 484 S CA -1.114 57.157 58.200 0.117 0.000 0.944 484 S CB 1.876 65.187 63.200 0.185 0.000 1.071 484 S HN 0.281 nan 8.310 nan 0.000 0.479 485 P HA 0.208 nan 4.420 nan 0.000 0.245 485 P C -0.637 176.557 177.300 -0.177 0.000 1.206 485 P CA 0.475 63.375 63.100 -0.333 0.000 0.781 485 P CB -0.210 31.283 31.700 -0.344 0.000 0.994 486 N N -3.757 114.855 118.700 -0.146 0.000 3.533 486 N HA 0.159 4.899 4.740 -0.000 0.000 0.229 486 N C 0.147 175.573 175.510 -0.139 0.000 1.418 486 N CA -0.840 52.128 53.050 -0.136 0.000 0.880 486 N CB 0.082 38.497 38.487 -0.120 0.000 1.415 486 N HN -0.463 nan 8.380 nan 0.000 0.491 487 R N -0.450 119.966 120.500 -0.140 0.000 2.189 487 R HA 0.005 4.345 4.340 -0.000 0.000 0.223 487 R C 1.298 177.512 176.300 -0.142 0.000 1.092 487 R CA 1.467 57.485 56.100 -0.136 0.000 0.989 487 R CB -0.934 29.289 30.300 -0.129 0.000 0.876 487 R HN 0.748 nan 8.270 nan 0.000 0.457 488 Y N -0.771 119.357 120.300 -0.286 0.000 2.314 488 Y HA 0.082 4.632 4.550 -0.000 0.000 0.294 488 Y C 1.882 177.542 175.900 -0.401 0.000 1.119 488 Y CA 1.522 59.446 58.100 -0.293 0.000 1.179 488 Y CB -0.140 38.177 38.460 -0.239 0.000 1.025 488 Y HN 0.019 nan 8.280 nan 0.000 0.541 489 S N -0.100 115.355 115.700 -0.408 0.000 2.371 489 S HA -0.148 4.322 4.470 -0.000 0.000 0.224 489 S C 1.847 175.822 174.600 -1.043 0.000 1.029 489 S CA 1.632 59.291 58.200 -0.902 0.000 0.978 489 S CB -0.529 62.279 63.200 -0.654 0.000 0.833 489 S HN 0.591 nan 8.310 nan 0.000 0.466 490 T N 1.712 115.956 114.554 -0.517 0.000 2.684 490 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 490 T C 1.836 176.361 174.700 -0.291 0.000 1.036 490 T CA 1.632 63.564 62.100 -0.281 0.000 1.148 490 T CB -0.382 68.402 68.868 -0.140 0.000 0.863 490 T HN 0.307 nan 8.240 nan 0.000 0.436 491 E N 0.709 120.708 120.200 -0.334 0.000 2.110 491 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 491 E C 1.998 178.355 176.600 -0.406 0.000 0.988 491 E CA 0.909 57.126 56.400 -0.305 0.000 0.804 491 E CB -0.405 29.129 29.700 -0.276 0.000 0.745 491 E HN 0.550 nan 8.360 nan 0.000 0.458 492 I N -0.408 119.774 120.570 -0.648 0.000 2.202 492 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 492 I C 1.700 177.519 176.117 -0.496 0.000 1.091 492 I CA 0.671 61.506 61.300 -0.774 0.000 1.368 492 I CB -0.363 36.912 38.000 -1.209 0.000 1.058 492 I HN 0.078 nan 8.210 nan 0.000 0.410 493 F N 1.319 121.030 119.950 -0.399 0.000 2.171 493 F HA -0.190 4.337 4.527 -0.000 0.000 0.300 493 F C 2.687 178.379 175.800 -0.179 0.000 1.090 493 F CA 1.257 59.089 58.000 -0.281 0.000 1.293 493 F CB -1.248 37.758 39.000 0.011 0.000 1.013 493 F HN 0.022 nan 8.300 nan 0.000 0.486 494 R N 0.068 120.578 120.500 0.015 0.000 2.133 494 R HA -0.201 4.139 4.340 -0.000 0.000 0.247 494 R C 2.442 178.679 176.300 -0.105 0.000 1.151 494 R CA 2.009 58.095 56.100 -0.023 0.000 0.971 494 R CB -0.493 29.770 30.300 -0.062 0.000 0.866 494 R HN 0.238 nan 8.270 nan 0.000 0.447 495 S N -1.311 114.262 115.700 -0.211 0.000 2.460 495 S HA 0.168 4.638 4.470 -0.000 0.000 0.226 495 S C 1.912 176.218 174.600 -0.490 0.000 1.057 495 S CA 0.353 58.373 58.200 -0.301 0.000 0.948 495 S CB -0.076 62.961 63.200 -0.272 0.000 0.822 495 S HN 0.480 nan 8.310 nan 0.000 0.512 496 A N 0.087 122.612 122.820 -0.492 0.000 1.969 496 A HA 0.256 4.576 4.320 -0.000 0.000 0.218 496 A C 1.505 178.622 177.584 -0.777 0.000 1.169 496 A CA 0.842 52.480 52.037 -0.665 0.000 0.635 496 A CB -0.644 17.961 19.000 -0.658 0.000 0.810 496 A HN 0.678 nan 8.150 nan 0.000 0.445 497 F N -2.500 117.186 119.950 -0.441 0.000 2.654 497 F HA 0.149 4.676 4.527 -0.000 0.000 0.303 497 F C -0.228 175.587 175.800 0.025 0.000 1.099 497 F CA -0.781 57.058 58.000 -0.269 0.000 1.270 497 F CB 0.326 39.208 39.000 -0.197 0.000 1.024 497 F HN 0.303 nan 8.300 nan 0.000 0.548 498 W N 1.174 122.469 121.300 -0.009 0.000 6.486 498 W HA -0.241 4.419 4.660 0.000 0.000 0.411 498 W C -0.461 176.034 176.519 -0.040 0.000 1.595 498 W CA 0.160 57.477 57.345 -0.046 0.000 1.075 498 W CB -1.766 27.644 29.460 -0.084 0.000 2.798 498 W HN -0.028 nan 8.180 nan 0.000 1.534 499 M N -0.018 119.671 119.600 0.147 0.000 2.472 499 M HA 0.285 4.765 4.480 -0.000 0.000 0.331 499 M C 0.508 176.855 176.300 0.078 0.000 1.170 499 M CA -0.315 55.057 55.300 0.121 0.000 1.009 499 M CB 1.179 33.886 32.600 0.179 0.000 1.672 499 M HN -0.168 nan 8.290 nan 0.000 0.453 500 D N 1.546 121.982 120.400 0.060 0.000 2.225 500 D HA 0.094 4.734 4.640 -0.000 0.000 0.248 500 D C 0.826 177.156 176.300 0.050 0.000 1.096 500 D CA -0.023 54.001 54.000 0.040 0.000 0.863 500 D CB 1.372 42.184 40.800 0.021 0.000 1.156 500 D HN 0.654 nan 8.370 nan 0.000 0.450 501 E N 2.122 122.343 120.200 0.036 0.000 2.219 501 E HA -0.233 4.117 4.350 -0.000 0.000 0.198 501 E C 0.951 177.581 176.600 0.050 0.000 0.998 501 E CA 1.375 57.797 56.400 0.038 0.000 0.818 501 E CB 0.259 29.966 29.700 0.012 0.000 0.741 501 E HN 0.446 nan 8.360 nan 0.000 0.477 502 E N -0.049 120.177 120.200 0.043 0.000 2.160 502 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 502 E C 2.054 178.705 176.600 0.084 0.000 0.991 502 E CA 0.908 57.338 56.400 0.051 0.000 0.810 502 E CB -0.130 29.588 29.700 0.030 0.000 0.742 502 E HN 0.293 nan 8.360 nan 0.000 0.466 503 R N 0.270 120.820 120.500 0.083 0.000 2.280 503 R HA 0.197 4.537 4.340 -0.000 0.000 0.195 503 R C 0.793 177.210 176.300 0.195 0.000 0.935 503 R CA -0.049 56.119 56.100 0.113 0.000 1.033 503 R CB 0.305 30.630 30.300 0.042 0.000 0.964 503 R HN 0.075 nan 8.270 nan 0.000 0.489 504 I N 2.241 122.905 120.570 0.157 0.000 2.441 504 I HA 0.071 4.241 4.170 -0.000 0.000 0.287 504 I C -0.194 176.001 176.117 0.129 0.000 1.049 504 I CA -0.151 61.245 61.300 0.160 0.000 1.381 504 I CB 0.895 38.982 38.000 0.146 0.000 1.409 504 I HN -0.069 nan 8.210 nan 0.000 0.523 505 L N 6.960 128.253 121.223 0.116 0.000 2.265 505 L HA 0.360 4.700 4.340 -0.000 0.000 0.289 505 L C 0.293 177.147 176.870 -0.027 0.000 1.033 505 L CA -0.339 54.523 54.840 0.036 0.000 0.814 505 L CB 0.757 42.848 42.059 0.053 0.000 1.203 505 L HN 0.580 nan 8.230 nan 0.000 0.423 506 E N 4.661 124.810 120.200 -0.085 0.000 1.932 506 E HA 0.170 4.520 4.350 -0.000 0.000 0.259 506 E C 0.655 177.142 176.600 -0.187 0.000 1.099 506 E CA -0.063 56.268 56.400 -0.115 0.000 0.970 506 E CB 0.503 30.142 29.700 -0.103 0.000 1.143 506 E HN 0.651 nan 8.360 nan 0.000 0.441 507 I N -1.218 119.233 120.570 -0.198 0.000 4.327 507 I HA 0.422 4.592 4.170 -0.000 0.000 0.331 507 I C 0.766 176.782 176.117 -0.169 0.000 1.348 507 I CA -0.321 60.838 61.300 -0.235 0.000 1.152 507 I CB 0.578 38.391 38.000 -0.313 0.000 1.151 507 I HN 0.422 nan 8.210 nan 0.000 0.410 508 G N 1.583 110.264 108.800 -0.198 0.000 2.756 508 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.678 508 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.678 508 G C -1.224 173.567 174.900 -0.181 0.000 1.349 508 G CA -0.674 44.296 45.100 -0.217 0.000 0.847 508 G HN 0.196 nan 8.290 nan 0.000 0.548 509 Y N 0.980 121.309 120.300 0.049 0.000 2.336 509 Y HA 0.435 4.985 4.550 -0.000 0.000 0.335 509 Y C -0.859 175.049 175.900 0.014 0.000 1.046 509 Y CA -1.577 56.556 58.100 0.054 0.000 1.198 509 Y CB 1.430 39.940 38.460 0.083 0.000 1.182 509 Y HN 0.249 nan 8.280 nan 0.000 0.502 510 P HA -0.170 nan 4.420 nan 0.000 0.218 510 P C 1.177 178.421 177.300 -0.093 0.000 1.149 510 P CA 1.681 64.847 63.100 0.110 0.000 0.817 510 P CB 0.206 32.016 31.700 0.183 0.000 0.785 511 R N -0.808 119.628 120.500 -0.106 0.000 2.148 511 R HA -0.010 4.330 4.340 -0.000 0.000 0.227 511 R C 1.247 177.370 176.300 -0.295 0.000 1.103 511 R CA 1.316 57.178 56.100 -0.396 0.000 0.983 511 R CB -1.164 29.067 30.300 -0.115 0.000 0.874 511 R HN 0.116 nan 8.270 nan 0.000 0.451 512 N N 0.900 119.588 118.700 -0.019 0.000 2.467 512 N HA -0.054 4.686 4.740 -0.000 0.000 0.184 512 N C 0.465 175.999 175.510 0.040 0.000 1.106 512 N CA 0.643 53.741 53.050 0.080 0.000 0.892 512 N CB -0.070 38.532 38.487 0.191 0.000 0.969 512 N HN 0.224 nan 8.380 nan 0.000 0.454 513 D N 0.415 120.800 120.400 -0.026 0.000 2.126 513 D HA -0.146 4.494 4.640 -0.000 0.000 0.190 513 D C 1.950 178.292 176.300 0.070 0.000 1.001 513 D CA 1.052 55.071 54.000 0.031 0.000 0.841 513 D CB -0.285 40.551 40.800 0.060 0.000 0.949 513 D HN 0.026 nan 8.370 nan 0.000 0.446 514 V N 0.867 120.819 119.914 0.065 0.000 2.370 514 V HA -0.264 3.856 4.120 -0.000 0.000 0.252 514 V C 2.578 178.773 176.094 0.168 0.000 1.068 514 V CA 1.303 63.696 62.300 0.156 0.000 1.061 514 V CB -0.806 31.160 31.823 0.239 0.000 0.656 514 V HN 0.266 nan 8.190 nan 0.000 0.455 515 L N -0.360 120.957 121.223 0.157 0.000 2.265 515 L HA -0.116 4.224 4.340 -0.000 0.000 0.215 515 L C 2.278 179.233 176.870 0.143 0.000 1.117 515 L CA 0.978 55.922 54.840 0.174 0.000 0.782 515 L CB -0.547 41.621 42.059 0.182 0.000 0.914 515 L HN 0.306 nan 8.230 nan 0.000 0.441 516 V N -0.915 119.072 119.914 0.123 0.000 2.403 516 V HA -0.073 4.047 4.120 -0.000 0.000 0.239 516 V C 2.053 178.208 176.094 0.103 0.000 1.041 516 V CA 1.116 63.482 62.300 0.110 0.000 1.051 516 V CB -0.554 31.326 31.823 0.095 0.000 0.704 516 V HN 0.396 nan 8.190 nan 0.000 0.472 517 N N 0.929 119.688 118.700 0.099 0.000 2.142 517 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 517 N C 1.605 177.169 175.510 0.090 0.000 1.023 517 N CA 1.101 54.203 53.050 0.088 0.000 0.852 517 N CB -0.140 38.397 38.487 0.083 0.000 0.998 517 N HN 0.379 nan 8.380 nan 0.000 0.424 518 R N 0.151 120.721 120.500 0.117 0.000 2.472 518 R HA 0.334 4.674 4.340 -0.000 0.000 0.279 518 R C 1.204 177.630 176.300 0.209 0.000 0.953 518 R CA -0.079 56.104 56.100 0.140 0.000 1.088 518 R CB 0.363 30.718 30.300 0.092 0.000 1.197 518 R HN 0.107 nan 8.270 nan 0.000 0.536 519 A N 1.305 124.227 122.820 0.170 0.000 2.067 519 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 519 A C 1.310 178.976 177.584 0.136 0.000 1.158 519 A CA 1.075 53.209 52.037 0.162 0.000 0.661 519 A CB -0.051 19.027 19.000 0.131 0.000 0.801 519 A HN 0.209 nan 8.150 nan 0.000 0.452 520 N N -0.243 118.530 118.700 0.121 0.000 2.200 520 N HA 0.011 4.751 4.740 -0.000 0.000 0.224 520 N C -0.726 174.847 175.510 0.104 0.000 1.179 520 N CA -0.087 53.021 53.050 0.098 0.000 0.877 520 N CB 0.459 38.990 38.487 0.074 0.000 1.072 520 N HN 0.295 nan 8.380 nan 0.000 0.519 521 D N 2.007 122.491 120.400 0.139 0.000 2.455 521 D HA 0.017 4.657 4.640 -0.000 0.000 0.234 521 D C 1.104 177.501 176.300 0.162 0.000 1.224 521 D CA 0.041 54.130 54.000 0.148 0.000 0.999 521 D CB 0.607 41.514 40.800 0.178 0.000 1.072 521 D HN 0.001 nan 8.370 nan 0.000 0.514 522 Q N 1.704 121.571 119.800 0.112 0.000 2.291 522 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 522 Q C 1.448 177.507 176.000 0.099 0.000 0.976 522 Q CA 0.869 56.728 55.803 0.094 0.000 0.875 522 Q CB 0.270 29.048 28.738 0.067 0.000 0.927 522 Q HN 0.678 nan 8.270 nan 0.000 0.450 523 E N -0.785 119.486 120.200 0.119 0.000 2.076 523 E HA -0.175 4.175 4.350 -0.000 0.000 0.190 523 E C 1.726 178.426 176.600 0.167 0.000 0.979 523 E CA 0.433 56.904 56.400 0.119 0.000 0.807 523 E CB -0.082 29.684 29.700 0.110 0.000 0.761 523 E HN 0.269 nan 8.360 nan 0.000 0.454 524 Y N 1.558 121.897 120.300 0.066 0.000 2.145 524 Y HA -0.183 4.367 4.550 -0.000 0.000 0.286 524 Y C 1.954 177.903 175.900 0.082 0.000 1.145 524 Y CA 1.502 59.650 58.100 0.079 0.000 1.148 524 Y CB -0.411 38.101 38.460 0.087 0.000 0.981 524 Y HN 0.036 nan 8.280 nan 0.000 0.507 525 L N -0.151 121.096 121.223 0.039 0.000 2.081 525 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 525 L C 2.023 178.865 176.870 -0.047 0.000 1.080 525 L CA 1.793 56.603 54.840 -0.049 0.000 0.754 525 L CB -0.630 41.452 42.059 0.038 0.000 0.893 525 L HN 0.207 nan 8.230 nan 0.000 0.433 526 D N -0.363 120.043 120.400 0.009 0.000 2.183 526 D HA -0.127 4.513 4.640 -0.000 0.000 0.203 526 D C 2.138 178.450 176.300 0.021 0.000 0.969 526 D CA 0.828 54.840 54.000 0.020 0.000 0.842 526 D CB 0.137 40.961 40.800 0.041 0.000 0.957 526 D HN 0.376 nan 8.370 nan 0.000 0.484 527 E N 0.190 120.405 120.200 0.024 0.000 2.028 527 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 527 E C 2.353 178.985 176.600 0.052 0.000 0.988 527 E CA 0.554 56.986 56.400 0.054 0.000 0.799 527 E CB -0.019 29.736 29.700 0.093 0.000 0.755 527 E HN 0.279 nan 8.360 nan 0.000 0.447 528 I N 1.008 121.543 120.570 -0.057 0.000 2.151 528 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 528 I C 2.553 178.670 176.117 0.001 0.000 1.080 528 I CA 1.346 62.612 61.300 -0.057 0.000 1.339 528 I CB -0.420 37.448 38.000 -0.220 0.000 1.039 528 I HN 0.058 nan 8.210 nan 0.000 0.409 529 R N 0.306 120.794 120.500 -0.020 0.000 2.091 529 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 529 R C 2.419 178.742 176.300 0.039 0.000 1.136 529 R CA 2.127 58.224 56.100 -0.004 0.000 0.959 529 R CB -0.569 29.728 30.300 -0.005 0.000 0.856 529 R HN 0.557 nan 8.270 nan 0.000 0.437 530 T N -3.335 111.255 114.554 0.059 0.000 3.067 530 T HA -0.074 4.276 4.350 -0.000 0.000 0.257 530 T C 1.631 176.393 174.700 0.104 0.000 1.105 530 T CA 0.691 62.829 62.100 0.064 0.000 1.104 530 T CB -0.148 68.745 68.868 0.041 0.000 0.925 530 T HN 0.400 nan 8.240 nan 0.000 0.498 531 H N 0.312 119.403 119.070 0.035 0.000 2.456 531 H HA 0.219 4.775 4.556 -0.000 0.000 0.296 531 H C 1.741 177.115 175.328 0.077 0.000 1.079 531 H CA 0.981 57.065 56.048 0.060 0.000 1.322 531 H CB -0.090 29.727 29.762 0.092 0.000 1.388 531 H HN 0.313 nan 8.280 nan 0.000 0.538 532 L N -0.497 120.871 121.223 0.241 0.000 2.554 532 L HA 0.038 4.378 4.340 -0.000 0.000 0.225 532 L C 0.497 177.418 176.870 0.086 0.000 1.104 532 L CA 0.040 54.971 54.840 0.152 0.000 0.866 532 L CB 0.296 42.380 42.059 0.041 0.000 1.047 532 L HN 0.389 nan 8.230 nan 0.000 0.468 533 N N 1.006 119.750 118.700 0.072 0.000 2.816 533 N HA -0.139 4.601 4.740 -0.000 0.000 0.247 533 N C -0.569 174.962 175.510 0.036 0.000 1.100 533 N CA 0.470 53.548 53.050 0.047 0.000 0.687 533 N CB -1.211 37.304 38.487 0.046 0.000 1.003 533 N HN 0.178 nan 8.380 nan 0.000 0.554 534 L N 0.631 121.871 121.223 0.029 0.000 2.357 534 L HA 0.493 4.833 4.340 -0.000 0.000 0.273 534 L C -1.361 175.525 176.870 0.025 0.000 1.080 534 L CA -1.624 53.230 54.840 0.022 0.000 0.803 534 L CB 0.245 42.308 42.059 0.007 0.000 1.174 534 L HN -0.057 nan 8.230 nan 0.000 0.443 535 P HA -0.007 nan 4.420 nan 0.000 0.263 535 P C 0.155 177.467 177.300 0.019 0.000 1.175 535 P CA 0.266 63.385 63.100 0.032 0.000 0.761 535 P CB 0.569 32.297 31.700 0.046 0.000 0.794 536 S N 0.994 116.704 115.700 0.016 0.000 2.489 536 S HA -0.088 4.382 4.470 -0.000 0.000 0.228 536 S C 0.748 175.350 174.600 0.002 0.000 0.995 536 S CA 1.193 59.399 58.200 0.010 0.000 0.934 536 S CB -0.429 62.778 63.200 0.011 0.000 0.771 536 S HN 0.658 nan 8.310 nan 0.000 0.522 537 D N 0.297 120.697 120.400 -0.001 0.000 2.417 537 D HA 0.148 4.788 4.640 -0.000 0.000 0.207 537 D C 0.264 176.544 176.300 -0.034 0.000 1.075 537 D CA 0.060 54.051 54.000 -0.014 0.000 0.851 537 D CB 0.179 40.973 40.800 -0.010 0.000 0.976 537 D HN 0.114 nan 8.370 nan 0.000 0.505 538 K N 0.986 121.370 120.400 -0.027 0.000 2.159 538 K HA 0.358 4.678 4.320 -0.000 0.000 0.266 538 K C -0.056 176.505 176.600 -0.065 0.000 0.975 538 K CA -0.711 55.545 56.287 -0.052 0.000 0.865 538 K CB 1.996 34.500 32.500 0.007 0.000 1.087 538 K HN -0.095 nan 8.250 nan 0.000 0.446 539 K N 0.729 121.034 120.400 -0.158 0.000 2.118 539 K HA 0.315 4.635 4.320 -0.000 0.000 0.240 539 K C -0.468 176.165 176.600 0.055 0.000 1.035 539 K CA -0.522 55.705 56.287 -0.100 0.000 0.899 539 K CB 0.806 33.159 32.500 -0.246 0.000 1.085 539 K HN 0.156 nan 8.250 nan 0.000 0.498 540 V N 2.489 122.478 119.914 0.125 0.000 2.525 540 V HA 0.344 4.464 4.120 -0.000 0.000 0.299 540 V C -0.546 175.619 176.094 0.118 0.000 1.034 540 V CA -0.718 61.646 62.300 0.108 0.000 0.863 540 V CB 1.404 33.248 31.823 0.036 0.000 0.999 540 V HN 0.535 nan 8.190 nan 0.000 0.423 541 I N 5.135 125.736 120.570 0.052 0.000 2.412 541 I HA 0.514 4.684 4.170 -0.000 0.000 0.296 541 I C -0.088 175.980 176.117 -0.082 0.000 0.987 541 I CA -0.270 61.003 61.300 -0.045 0.000 1.180 541 I CB 1.666 39.560 38.000 -0.177 0.000 1.340 541 I HN 0.517 nan 8.210 nan 0.000 0.455 542 M N 6.763 126.313 119.600 -0.083 0.000 2.243 542 M HA 0.364 4.844 4.480 -0.000 0.000 0.324 542 M C -1.960 174.336 176.300 -0.006 0.000 1.031 542 M CA -0.701 54.555 55.300 -0.073 0.000 0.949 542 M CB 1.475 34.017 32.600 -0.096 0.000 1.615 542 M HN 0.557 nan 8.290 nan 0.000 0.430 543 Y N 4.170 124.386 120.300 -0.140 0.000 2.356 543 Y HA 0.676 5.226 4.550 -0.000 0.000 0.334 543 Y C -1.351 174.514 175.900 -0.057 0.000 0.958 543 Y CA -1.268 56.766 58.100 -0.110 0.000 1.196 543 Y CB 1.286 39.670 38.460 -0.126 0.000 1.137 543 Y HN 0.691 nan 8.280 nan 0.000 0.485 544 A N 8.989 131.651 122.820 -0.263 0.000 2.842 544 A HA 0.572 4.892 4.320 -0.000 0.000 0.339 544 A C -3.061 174.338 177.584 -0.308 0.000 1.177 544 A CA -1.597 50.274 52.037 -0.276 0.000 0.797 544 A CB -0.000 18.956 19.000 -0.072 0.000 1.094 544 A HN 0.500 nan 8.150 nan 0.000 0.474 545 P HA 0.306 nan 4.420 nan 0.000 0.280 545 P C 0.715 177.975 177.300 -0.066 0.000 1.244 545 P CA 0.130 63.058 63.100 -0.288 0.000 0.784 545 P CB 1.043 32.533 31.700 -0.349 0.000 0.913 546 T N 0.147 114.718 114.554 0.029 0.000 2.667 546 T HA 0.070 4.420 4.350 -0.000 0.000 0.305 546 T C -0.006 174.803 174.700 0.182 0.000 1.022 546 T CA -0.744 61.443 62.100 0.146 0.000 0.995 546 T CB 0.445 69.438 68.868 0.209 0.000 1.026 546 T HN 0.408 nan 8.240 nan 0.000 0.527 547 W N 0.837 122.164 121.300 0.045 0.000 2.237 547 W HA 0.507 5.167 4.660 -0.000 0.000 0.335 547 W C -0.572 175.970 176.519 0.038 0.000 1.230 547 W CA -1.021 56.313 57.345 -0.019 0.000 1.253 547 W CB 0.678 30.019 29.460 -0.198 0.000 1.129 547 W HN 0.707 nan 8.180 nan 0.000 0.590 548 R N 3.549 123.447 120.500 -1.003 0.000 2.569 548 R HA 0.064 4.404 4.340 -0.000 0.000 0.293 548 R C 0.536 176.315 176.300 -0.868 0.000 1.186 548 R CA -0.471 55.267 56.100 -0.604 0.000 0.956 548 R CB 1.301 31.437 30.300 -0.274 0.000 1.196 548 R HN 0.362 nan 8.270 nan 0.000 0.444 549 D N 0.894 121.150 120.400 -0.239 0.000 2.104 549 D HA -0.233 4.407 4.640 -0.000 0.000 0.194 549 D C 1.118 177.414 176.300 -0.007 0.000 0.994 549 D CA 1.185 55.236 54.000 0.085 0.000 0.830 549 D CB 0.108 41.038 40.800 0.217 0.000 0.959 549 D HN 0.521 nan 8.370 nan 0.000 0.452 550 D N 0.536 120.919 120.400 -0.029 0.000 2.242 550 D HA -0.223 4.417 4.640 -0.000 0.000 0.190 550 D C 1.265 177.552 176.300 -0.022 0.000 1.012 550 D CA 1.279 55.271 54.000 -0.014 0.000 0.875 550 D CB -0.059 40.732 40.800 -0.014 0.000 0.922 550 D HN 0.380 nan 8.370 nan 0.000 0.448 551 E N -1.517 118.627 120.200 -0.094 0.000 2.465 551 E HA 0.031 4.381 4.350 -0.000 0.000 0.191 551 E C -0.088 176.472 176.600 -0.066 0.000 1.053 551 E CA -0.464 55.887 56.400 -0.082 0.000 0.869 551 E CB 0.112 29.750 29.700 -0.104 0.000 0.977 551 E HN 0.287 nan 8.360 nan 0.000 0.483 552 F N 2.705 122.556 119.950 -0.165 0.000 2.413 552 F HA 0.181 4.708 4.527 -0.000 0.000 0.359 552 F C -0.170 175.608 175.800 -0.037 0.000 1.122 552 F CA -0.795 57.156 58.000 -0.083 0.000 1.160 552 F CB 0.442 39.460 39.000 0.029 0.000 1.146 552 F HN -0.288 nan 8.300 nan 0.000 0.514 553 V N 1.617 121.231 119.914 -0.500 0.000 3.007 553 V HA 0.622 4.742 4.120 -0.000 0.000 0.311 553 V C 0.159 175.943 176.094 -0.517 0.000 1.120 553 V CA -0.903 61.175 62.300 -0.370 0.000 0.980 553 V CB 1.226 32.930 31.823 -0.198 0.000 1.033 553 V HN 0.721 nan 8.190 nan 0.000 0.429 554 S N 1.552 117.041 115.700 -0.352 0.000 3.695 554 S HA -0.197 4.273 4.470 -0.000 0.000 0.310 554 S C 0.844 175.270 174.600 -0.289 0.000 1.166 554 S CA 1.351 59.349 58.200 -0.336 0.000 0.882 554 S CB -1.371 61.488 63.200 -0.568 0.000 0.949 554 S HN 1.534 nan 8.310 nan 0.000 0.540 555 K N -2.064 118.193 120.400 -0.239 0.000 3.596 555 K HA -0.216 4.104 4.320 -0.000 0.000 0.295 555 K C 0.649 177.140 176.600 -0.183 0.000 1.230 555 K CA 1.734 57.980 56.287 -0.068 0.000 1.029 555 K CB -1.845 30.670 32.500 0.025 0.000 1.303 555 K HN 1.782 nan 8.250 nan 0.000 0.442 556 G N -0.094 108.424 108.800 -0.469 0.000 2.467 556 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.242 556 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.242 556 G C 0.364 175.194 174.900 -0.117 0.000 1.127 556 G CA 0.221 45.119 45.100 -0.337 0.000 0.924 556 G HN 0.059 nan 8.290 nan 0.000 0.499 557 K N -0.898 119.410 120.400 -0.152 0.000 2.287 557 K HA 0.225 4.545 4.320 -0.000 0.000 0.199 557 K C 0.523 177.212 176.600 0.148 0.000 1.061 557 K CA 1.249 57.552 56.287 0.026 0.000 0.976 557 K CB 0.411 32.980 32.500 0.115 0.000 0.898 557 K HN 0.905 nan 8.250 nan 0.000 0.492 558 Y N 0.521 120.803 120.300 -0.031 0.000 2.362 558 Y HA 0.481 5.031 4.550 -0.000 0.000 0.326 558 Y C -0.777 175.114 175.900 -0.014 0.000 1.083 558 Y CA -2.551 55.541 58.100 -0.014 0.000 1.073 558 Y CB 0.244 38.703 38.460 -0.002 0.000 1.211 558 Y HN -0.251 nan 8.280 nan 0.000 0.433 559 L N 0.379 121.641 121.223 0.065 0.000 2.352 559 L HA 0.634 4.974 4.340 -0.000 0.000 0.269 559 L C -0.446 176.506 176.870 0.136 0.000 1.034 559 L CA -1.610 53.255 54.840 0.042 0.000 0.806 559 L CB 0.310 42.378 42.059 0.014 0.000 1.244 559 L HN 0.652 nan 8.230 nan 0.000 0.447 560 F N 2.392 122.349 119.950 0.012 0.000 2.541 560 F HA 0.172 4.699 4.527 -0.000 0.000 0.378 560 F C 0.997 176.809 175.800 0.020 0.000 1.068 560 F CA -0.130 57.888 58.000 0.031 0.000 1.199 560 F CB 0.158 39.166 39.000 0.014 0.000 1.091 560 F HN 0.793 nan 8.300 nan 0.000 0.555 561 E N 6.896 126.902 120.200 -0.323 0.000 3.250 561 E HA -0.139 4.211 4.350 -0.000 0.000 0.244 561 E C -0.211 176.336 176.600 -0.087 0.000 0.931 561 E CA -0.219 56.056 56.400 -0.208 0.000 0.954 561 E CB -0.329 29.198 29.700 -0.288 0.000 0.894 561 E HN 0.633 nan 8.360 nan 0.000 0.560 562 L N 2.146 123.357 121.223 -0.020 0.000 3.605 562 L HA -0.233 4.107 4.340 -0.000 0.000 0.434 562 L C 1.361 178.214 176.870 -0.028 0.000 1.161 562 L CA 0.347 55.188 54.840 0.002 0.000 0.727 562 L CB -0.282 41.793 42.059 0.026 0.000 1.020 562 L HN 0.585 nan 8.230 nan 0.000 0.781 563 K N 2.542 122.894 120.400 -0.081 0.000 2.589 563 K HA -0.054 4.266 4.320 -0.000 0.000 0.195 563 K C 1.578 178.135 176.600 -0.070 0.000 1.040 563 K CA 0.703 56.921 56.287 -0.114 0.000 0.950 563 K CB -0.120 32.065 32.500 -0.525 0.000 0.781 563 K HN 0.587 nan 8.250 nan 0.000 0.486 564 I N 0.043 120.515 120.570 -0.164 0.000 3.059 564 I HA -0.142 4.028 4.170 -0.000 0.000 0.270 564 I C -0.427 175.420 176.117 -0.449 0.000 1.238 564 I CA 0.306 61.296 61.300 -0.517 0.000 1.478 564 I CB 0.288 37.888 38.000 -0.666 0.000 1.097 564 I HN 0.274 nan 8.210 nan 0.000 0.455 565 D N 0.822 121.078 120.400 -0.240 0.000 3.729 565 D HA -0.195 4.445 4.640 -0.000 0.000 0.242 565 D C 0.745 176.952 176.300 -0.155 0.000 1.091 565 D CA 0.324 54.242 54.000 -0.137 0.000 1.096 565 D CB -0.872 39.901 40.800 -0.045 0.000 0.901 565 D HN 0.262 nan 8.370 nan 0.000 0.416 566 L N 1.560 122.669 121.223 -0.191 0.000 2.093 566 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 566 L C 2.238 179.030 176.870 -0.130 0.000 1.085 566 L CA 1.062 55.733 54.840 -0.283 0.000 0.755 566 L CB -0.225 41.407 42.059 -0.711 0.000 0.904 566 L HN 0.348 nan 8.230 nan 0.000 0.435 567 D N 0.223 120.648 120.400 0.041 0.000 2.116 567 D HA -0.234 4.406 4.640 -0.000 0.000 0.193 567 D C 1.870 178.250 176.300 0.133 0.000 0.998 567 D CA 1.508 55.642 54.000 0.224 0.000 0.836 567 D CB -0.033 40.870 40.800 0.171 0.000 0.951 567 D HN 0.223 nan 8.370 nan 0.000 0.449 568 N N -0.119 118.624 118.700 0.073 0.000 2.039 568 N HA -0.080 4.660 4.740 -0.000 0.000 0.193 568 N C 2.117 177.630 175.510 0.004 0.000 1.044 568 N CA 0.885 53.967 53.050 0.053 0.000 0.847 568 N CB -0.423 38.151 38.487 0.145 0.000 1.030 568 N HN 0.107 nan 8.380 nan 0.000 0.422 569 L N -0.445 120.772 121.223 -0.011 0.000 2.103 569 L HA -0.289 4.051 4.340 -0.000 0.000 0.215 569 L C 2.090 178.972 176.870 0.020 0.000 1.080 569 L CA 1.420 56.286 54.840 0.044 0.000 0.764 569 L CB -0.651 41.462 42.059 0.091 0.000 0.890 569 L HN 0.373 nan 8.230 nan 0.000 0.435 570 Y N 0.932 120.981 120.300 -0.419 0.000 2.089 570 Y HA -0.295 4.255 4.550 -0.000 0.000 0.282 570 Y C 2.669 178.288 175.900 -0.468 0.000 1.139 570 Y CA 1.574 59.101 58.100 -0.956 0.000 1.123 570 Y CB -0.487 37.687 38.460 -0.476 0.000 0.980 570 Y HN 0.012 nan 8.280 nan 0.000 0.493 571 K N -0.390 119.889 120.400 -0.203 0.000 2.052 571 K HA -0.237 4.083 4.320 -0.000 0.000 0.215 571 K C 1.888 178.386 176.600 -0.169 0.000 1.053 571 K CA 2.068 58.233 56.287 -0.204 0.000 0.934 571 K CB -0.071 32.370 32.500 -0.098 0.000 0.717 571 K HN 0.358 nan 8.250 nan 0.000 0.450 572 E N -0.364 119.770 120.200 -0.110 0.000 2.190 572 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 572 E C 1.677 178.263 176.600 -0.025 0.000 0.978 572 E CA 0.770 57.130 56.400 -0.067 0.000 0.839 572 E CB 0.409 30.072 29.700 -0.061 0.000 0.787 572 E HN 0.314 nan 8.360 nan 0.000 0.473 573 L N -1.061 120.166 121.223 0.006 0.000 3.039 573 L HA 0.317 4.657 4.340 -0.000 0.000 0.269 573 L C 1.927 178.946 176.870 0.248 0.000 1.169 573 L CA 0.189 55.134 54.840 0.174 0.000 0.986 573 L CB 0.406 42.554 42.059 0.148 0.000 1.377 573 L HN -0.006 nan 8.230 nan 0.000 0.575 574 G N -0.067 108.724 108.800 -0.016 0.000 2.564 574 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 574 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 574 G C 0.944 175.883 174.900 0.066 0.000 1.124 574 G CA 0.885 45.937 45.100 -0.080 0.000 0.764 574 G HN 0.240 nan 8.290 nan 0.000 0.550 575 D N -0.318 120.113 120.400 0.052 0.000 2.431 575 D HA 0.031 4.671 4.640 -0.000 0.000 0.227 575 D C 1.544 177.863 176.300 0.031 0.000 1.030 575 D CA 0.332 54.346 54.000 0.023 0.000 0.897 575 D CB 0.253 41.038 40.800 -0.025 0.000 1.058 575 D HN 0.193 nan 8.370 nan 0.000 0.500 576 D N -0.858 119.568 120.400 0.043 0.000 2.324 576 D HA -0.001 4.639 4.640 -0.000 0.000 0.212 576 D C 0.310 176.467 176.300 -0.239 0.000 0.984 576 D CA 0.432 54.348 54.000 -0.140 0.000 0.885 576 D CB 0.472 41.121 40.800 -0.253 0.000 0.996 576 D HN 0.230 nan 8.370 nan 0.000 0.505 577 Y N -0.145 120.217 120.300 0.103 0.000 2.567 577 Y HA 0.517 5.067 4.550 -0.000 0.000 0.333 577 Y C -0.075 175.905 175.900 0.133 0.000 1.106 577 Y CA -1.084 57.073 58.100 0.095 0.000 1.157 577 Y CB 2.245 40.750 38.460 0.074 0.000 1.277 577 Y HN -0.370 nan 8.280 nan 0.000 0.490 578 V N 3.461 123.486 119.914 0.184 0.000 2.709 578 V HA 0.502 4.622 4.120 -0.000 0.000 0.308 578 V C -1.216 174.765 176.094 -0.188 0.000 1.062 578 V CA -0.954 61.327 62.300 -0.031 0.000 0.901 578 V CB 1.925 33.751 31.823 0.005 0.000 1.003 578 V HN 0.697 nan 8.190 nan 0.000 0.425 579 I N 6.524 126.797 120.570 -0.494 0.000 2.377 579 I HA 0.521 4.691 4.170 -0.000 0.000 0.293 579 I C -1.062 174.887 176.117 -0.280 0.000 0.987 579 I CA -0.733 60.332 61.300 -0.392 0.000 1.185 579 I CB 1.341 39.020 38.000 -0.536 0.000 1.341 579 I HN 0.549 nan 8.210 nan 0.000 0.455 580 L N 8.175 129.296 121.223 -0.170 0.000 2.257 580 L HA 0.398 4.738 4.340 -0.000 0.000 0.290 580 L C -0.694 176.126 176.870 -0.084 0.000 1.044 580 L CA -0.633 54.129 54.840 -0.129 0.000 0.810 580 L CB 1.076 43.057 42.059 -0.130 0.000 1.193 580 L HN 0.499 nan 8.230 nan 0.000 0.425 581 L N 4.792 125.972 121.223 -0.072 0.000 2.261 581 L HA 0.417 4.757 4.340 -0.000 0.000 0.289 581 L C 0.301 177.142 176.870 -0.050 0.000 1.059 581 L CA -0.230 54.591 54.840 -0.032 0.000 0.816 581 L CB 0.797 42.846 42.059 -0.017 0.000 1.191 581 L HN 0.574 nan 8.230 nan 0.000 0.431 582 R N 4.662 125.116 120.500 -0.077 0.000 2.346 582 R HA 0.442 4.782 4.340 -0.000 0.000 0.309 582 R C -0.539 175.721 176.300 -0.065 0.000 1.119 582 R CA -0.458 55.602 56.100 -0.067 0.000 1.112 582 R CB 0.461 30.712 30.300 -0.081 0.000 1.132 582 R HN 0.472 nan 8.270 nan 0.000 0.538 583 M N 1.318 120.910 119.600 -0.014 0.000 2.613 583 M HA 0.239 4.719 4.480 -0.000 0.000 0.301 583 M C 0.439 176.809 176.300 0.117 0.000 1.205 583 M CA -0.802 54.520 55.300 0.037 0.000 0.950 583 M CB 0.677 33.311 32.600 0.058 0.000 1.585 583 M HN 0.475 nan 8.290 nan 0.000 0.490 584 H N 1.134 120.277 119.070 0.122 0.000 2.871 584 H HA -0.048 4.508 4.556 -0.000 0.000 0.355 584 H C 0.394 175.784 175.328 0.104 0.000 1.092 584 H CA 0.571 56.712 56.048 0.155 0.000 1.420 584 H CB 0.714 30.683 29.762 0.345 0.000 1.400 584 H HN 0.705 nan 8.280 nan 0.000 0.604 585 Y N 3.150 123.142 120.300 -0.512 0.000 2.465 585 Y HA -0.130 4.420 4.550 -0.000 0.000 0.289 585 Y C 1.673 177.549 175.900 -0.039 0.000 1.150 585 Y CA 0.868 58.816 58.100 -0.255 0.000 1.293 585 Y CB -0.355 37.912 38.460 -0.321 0.000 0.977 585 Y HN 0.472 nan 8.280 nan 0.000 0.556 586 L N -0.154 120.782 121.223 -0.478 0.000 2.270 586 L HA 0.004 4.344 4.340 -0.000 0.000 0.210 586 L C 2.138 179.130 176.870 0.203 0.000 1.104 586 L CA 0.711 55.498 54.840 -0.087 0.000 0.804 586 L CB -0.172 41.917 42.059 0.050 0.000 0.937 586 L HN 0.329 nan 8.230 nan 0.000 0.450 587 I N -1.489 119.233 120.570 0.253 0.000 2.716 587 I HA -0.183 3.987 4.170 -0.000 0.000 0.259 587 I C 2.651 178.842 176.117 0.123 0.000 1.172 587 I CA 0.446 61.856 61.300 0.184 0.000 1.478 587 I CB 0.032 38.134 38.000 0.170 0.000 1.104 587 I HN 0.141 nan 8.210 nan 0.000 0.439 588 S N 2.405 118.174 115.700 0.115 0.000 2.343 588 S HA -0.168 4.302 4.470 -0.000 0.000 0.219 588 S C 1.334 175.989 174.600 0.093 0.000 1.033 588 S CA 1.907 60.163 58.200 0.093 0.000 1.014 588 S CB -0.424 62.831 63.200 0.091 0.000 0.915 588 S HN 0.579 nan 8.310 nan 0.000 0.435 589 N N 1.179 119.945 118.700 0.111 0.000 2.509 589 N HA 0.382 5.122 4.740 -0.000 0.000 0.239 589 N C -0.035 175.533 175.510 0.098 0.000 1.215 589 N CA 0.583 53.695 53.050 0.103 0.000 0.882 589 N CB 0.204 38.761 38.487 0.115 0.000 1.189 589 N HN 0.363 nan 8.380 nan 0.000 0.490 590 A N -0.738 122.136 122.820 0.091 0.000 2.733 590 A HA 0.230 4.550 4.320 -0.000 0.000 0.232 590 A C -0.212 177.416 177.584 0.074 0.000 1.251 590 A CA -0.414 51.672 52.037 0.081 0.000 1.015 590 A CB 0.409 19.454 19.000 0.075 0.000 1.291 590 A HN 0.323 nan 8.150 nan 0.000 0.595 591 L N 1.934 123.200 121.223 0.071 0.000 2.262 591 L HA 0.403 4.743 4.340 -0.000 0.000 0.288 591 L C -1.362 175.546 176.870 0.065 0.000 1.035 591 L CA -0.449 54.429 54.840 0.064 0.000 0.820 591 L CB 1.105 43.199 42.059 0.058 0.000 1.204 591 L HN 0.211 nan 8.230 nan 0.000 0.424 592 D N 5.018 125.458 120.400 0.067 0.000 2.313 592 D HA 0.226 4.866 4.640 -0.000 0.000 0.239 592 D C 0.041 176.395 176.300 0.090 0.000 1.142 592 D CA -0.096 53.941 54.000 0.062 0.000 0.847 592 D CB 1.035 41.862 40.800 0.045 0.000 1.082 592 D HN 0.450 nan 8.370 nan 0.000 0.480 593 L N 3.186 124.465 121.223 0.094 0.000 3.084 593 L HA 0.245 4.585 4.340 -0.000 0.000 0.238 593 L C -0.061 176.865 176.870 0.095 0.000 1.327 593 L CA -0.383 54.559 54.840 0.169 0.000 1.094 593 L CB 0.036 42.171 42.059 0.127 0.000 1.477 593 L HN 0.245 nan 8.230 nan 0.000 0.514 594 S N 0.375 116.071 115.700 -0.007 0.000 2.499 594 S HA 0.456 4.926 4.470 -0.000 0.000 0.275 594 S C 1.161 175.595 174.600 -0.276 0.000 1.257 594 S CA 0.150 58.292 58.200 -0.097 0.000 1.050 594 S CB 1.334 64.485 63.200 -0.081 0.000 0.937 594 S HN 0.684 nan 8.310 nan 0.000 0.490 595 G N 1.638 110.296 108.800 -0.237 0.000 2.149 595 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.235 595 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.235 595 G C -0.116 174.418 174.900 -0.611 0.000 1.018 595 G CA -0.061 44.835 45.100 -0.340 0.000 0.728 595 G HN 0.723 nan 8.290 nan 0.000 0.508 596 Y N 0.323 120.502 120.300 -0.201 0.000 2.610 596 Y HA 0.228 4.778 4.550 -0.000 0.000 0.254 596 Y C 1.035 176.883 175.900 -0.086 0.000 1.110 596 Y CA -0.615 57.314 58.100 -0.285 0.000 1.238 596 Y CB 0.333 38.697 38.460 -0.161 0.000 1.322 596 Y HN 0.476 nan 8.280 nan 0.000 0.547 597 E N 1.369 121.605 120.200 0.060 0.000 2.558 597 E HA -0.080 4.270 4.350 -0.000 0.000 0.255 597 E C 0.020 176.692 176.600 0.120 0.000 0.968 597 E CA 0.427 56.872 56.400 0.075 0.000 0.939 597 E CB 0.289 30.014 29.700 0.043 0.000 0.921 597 E HN 0.304 nan 8.360 nan 0.000 0.477 598 N N 0.719 119.488 118.700 0.114 0.000 2.948 598 N HA -0.221 4.519 4.740 -0.000 0.000 0.239 598 N C -0.224 175.424 175.510 0.230 0.000 0.954 598 N CA 1.353 54.484 53.050 0.137 0.000 0.941 598 N CB -1.187 37.380 38.487 0.132 0.000 1.101 598 N HN 0.581 nan 8.380 nan 0.000 0.579 599 F N 0.357 120.346 119.950 0.066 0.000 2.495 599 F HA 0.532 5.059 4.527 -0.000 0.000 0.271 599 F C 0.516 176.319 175.800 0.005 0.000 0.889 599 F CA 1.059 59.105 58.000 0.076 0.000 1.129 599 F CB -0.354 38.695 39.000 0.082 0.000 1.169 599 F HN -0.022 nan 8.300 nan 0.000 0.781 600 A N 2.479 125.179 122.820 -0.200 0.000 2.294 600 A HA 0.562 4.882 4.320 -0.000 0.000 0.316 600 A C -0.956 176.557 177.584 -0.118 0.000 1.359 600 A CA -0.393 51.456 52.037 -0.313 0.000 0.956 600 A CB -0.706 18.127 19.000 -0.279 0.000 1.155 600 A HN 0.218 nan 8.150 nan 0.000 0.544 601 I N 2.580 123.074 120.570 -0.127 0.000 2.331 601 I HA 0.204 4.374 4.170 -0.000 0.000 0.292 601 I C 0.081 176.169 176.117 -0.049 0.000 0.998 601 I CA -0.759 60.507 61.300 -0.057 0.000 1.267 601 I CB 1.180 39.149 38.000 -0.051 0.000 1.386 601 I HN 0.577 nan 8.210 nan 0.000 0.476 602 D N 5.615 126.008 120.400 -0.013 0.000 2.348 602 D HA 0.121 4.761 4.640 -0.000 0.000 0.253 602 D C 0.155 176.460 176.300 0.008 0.000 1.161 602 D CA 0.264 54.263 54.000 -0.002 0.000 0.876 602 D CB 1.658 42.470 40.800 0.021 0.000 1.160 602 D HN 0.284 nan 8.370 nan 0.000 0.459 603 V N 3.239 123.151 119.914 -0.004 0.000 3.276 603 V HA 0.010 4.130 4.120 -0.000 0.000 0.319 603 V C 1.463 177.573 176.094 0.027 0.000 1.476 603 V CA 0.154 62.455 62.300 0.001 0.000 1.097 603 V CB 0.156 31.927 31.823 -0.086 0.000 0.988 603 V HN 0.564 nan 8.190 nan 0.000 0.473 604 S N 1.344 117.061 115.700 0.028 0.000 2.399 604 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 604 S C 1.521 176.145 174.600 0.039 0.000 1.022 604 S CA 1.527 59.744 58.200 0.028 0.000 0.983 604 S CB -0.156 63.067 63.200 0.039 0.000 0.803 604 S HN 0.700 nan 8.310 nan 0.000 0.480 605 N N 0.090 118.822 118.700 0.053 0.000 2.280 605 N HA 0.096 4.836 4.740 -0.000 0.000 0.192 605 N C -0.171 175.364 175.510 0.042 0.000 1.109 605 N CA -0.062 53.008 53.050 0.033 0.000 0.855 605 N CB -0.022 38.476 38.487 0.018 0.000 0.974 605 N HN 0.411 nan 8.380 nan 0.000 0.482 606 Y N 4.199 124.469 120.300 -0.049 0.000 2.802 606 Y HA -0.123 4.427 4.550 -0.000 0.000 0.333 606 Y C 1.650 177.512 175.900 -0.064 0.000 1.244 606 Y CA -0.118 57.941 58.100 -0.068 0.000 1.558 606 Y CB 0.318 38.720 38.460 -0.096 0.000 1.233 606 Y HN 0.108 nan 8.280 nan 0.000 0.547 607 N N 3.075 121.594 118.700 -0.302 0.000 2.084 607 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 607 N C -0.055 175.461 175.510 0.009 0.000 1.030 607 N CA 1.252 54.227 53.050 -0.126 0.000 0.849 607 N CB -0.340 38.053 38.487 -0.157 0.000 1.012 607 N HN 0.629 nan 8.380 nan 0.000 0.423 608 D N 0.857 121.284 120.400 0.045 0.000 2.392 608 D HA 0.131 4.771 4.640 -0.000 0.000 0.228 608 D C 0.598 177.034 176.300 0.226 0.000 1.074 608 D CA -0.471 53.638 54.000 0.181 0.000 0.838 608 D CB 2.209 43.127 40.800 0.197 0.000 1.067 608 D HN -0.143 nan 8.370 nan 0.000 0.511 609 V N 3.842 123.787 119.914 0.050 0.000 2.548 609 V HA -0.156 3.964 4.120 -0.000 0.000 0.249 609 V C 1.983 177.829 176.094 -0.414 0.000 1.055 609 V CA 1.750 63.917 62.300 -0.222 0.000 1.065 609 V CB -0.123 31.532 31.823 -0.281 0.000 0.681 609 V HN 0.568 nan 8.190 nan 0.000 0.462 610 S N -0.103 115.531 115.700 -0.110 0.000 2.387 610 S HA -0.269 4.201 4.470 -0.000 0.000 0.230 610 S C 1.758 176.403 174.600 0.074 0.000 1.035 610 S CA 2.145 60.375 58.200 0.051 0.000 1.014 610 S CB -0.302 62.983 63.200 0.141 0.000 0.836 610 S HN 0.765 nan 8.310 nan 0.000 0.466 611 E N 0.597 120.838 120.200 0.068 0.000 2.106 611 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 611 E C 2.006 178.522 176.600 -0.139 0.000 0.984 611 E CA 0.792 57.211 56.400 0.032 0.000 0.806 611 E CB -0.198 29.566 29.700 0.107 0.000 0.750 611 E HN 0.427 nan 8.360 nan 0.000 0.458 612 L N 0.074 121.102 121.223 -0.325 0.000 2.083 612 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 612 L C 2.165 178.953 176.870 -0.136 0.000 1.083 612 L CA 0.810 55.420 54.840 -0.382 0.000 0.752 612 L CB -0.379 41.373 42.059 -0.512 0.000 0.899 612 L HN 0.139 nan 8.230 nan 0.000 0.433 613 F N -0.107 119.849 119.950 0.010 0.000 2.146 613 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 613 F C 2.359 178.278 175.800 0.199 0.000 1.096 613 F CA 0.792 58.875 58.000 0.138 0.000 1.275 613 F CB -0.973 38.192 39.000 0.276 0.000 1.008 613 F HN -0.058 nan 8.300 nan 0.000 0.480 614 L N 0.357 121.764 121.223 0.306 0.000 2.187 614 L HA -0.172 4.168 4.340 -0.000 0.000 0.213 614 L C 1.968 178.927 176.870 0.148 0.000 1.100 614 L CA 1.310 56.281 54.840 0.219 0.000 0.765 614 L CB -0.581 41.581 42.059 0.171 0.000 0.904 614 L HN 0.267 nan 8.230 nan 0.000 0.437 615 I N -5.339 115.287 120.570 0.093 0.000 3.941 615 I HA 0.200 4.370 4.170 -0.000 0.000 0.335 615 I C 0.293 176.455 176.117 0.075 0.000 1.402 615 I CA -0.189 61.140 61.300 0.048 0.000 1.112 615 I CB 0.487 38.469 38.000 -0.032 0.000 1.043 615 I HN -0.115 nan 8.210 nan 0.000 0.395 616 S N 1.804 117.595 115.700 0.152 0.000 2.480 616 S HA 0.284 4.753 4.470 -0.000 0.000 0.286 616 S C 0.466 175.218 174.600 0.252 0.000 1.180 616 S CA -0.538 57.757 58.200 0.159 0.000 1.075 616 S CB 1.462 64.724 63.200 0.103 0.000 0.996 616 S HN 0.291 nan 8.310 nan 0.000 0.487 617 D N 0.943 121.463 120.400 0.200 0.000 2.305 617 D HA 0.087 4.727 4.640 -0.000 0.000 0.206 617 D C 0.724 177.184 176.300 0.267 0.000 0.974 617 D CA 0.626 54.755 54.000 0.214 0.000 0.871 617 D CB 0.308 41.221 40.800 0.188 0.000 0.947 617 D HN 0.638 nan 8.370 nan 0.000 0.516 618 C N -1.042 118.409 119.300 0.252 0.000 3.307 618 C HA 0.635 5.095 4.460 -0.000 0.000 0.333 618 C C -1.316 173.682 174.990 0.013 0.000 1.291 618 C CA -1.232 57.946 59.018 0.265 0.000 1.273 618 C CB 0.918 28.819 27.740 0.268 0.000 1.580 618 C HN 0.090 nan 8.230 nan 0.000 0.481 619 L N 2.729 123.880 121.223 -0.120 0.000 2.313 619 L HA 0.671 5.011 4.340 -0.000 0.000 0.283 619 L C -0.761 176.013 176.870 -0.160 0.000 1.013 619 L CA -0.817 53.813 54.840 -0.350 0.000 0.816 619 L CB 1.297 42.883 42.059 -0.789 0.000 1.236 619 L HN 0.797 nan 8.230 nan 0.000 0.419 620 I N 4.498 125.026 120.570 -0.071 0.000 2.297 620 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 620 I C 0.309 176.484 176.117 0.096 0.000 1.033 620 I CA 0.167 61.468 61.300 0.003 0.000 1.253 620 I CB 1.609 39.617 38.000 0.014 0.000 1.396 620 I HN 0.554 nan 8.210 nan 0.000 0.476 621 T N 2.990 117.504 114.554 -0.067 0.000 2.693 621 T HA 0.448 4.798 4.350 -0.000 0.000 0.278 621 T C -0.360 174.397 174.700 0.094 0.000 0.994 621 T CA -0.290 61.821 62.100 0.018 0.000 1.033 621 T CB 1.669 70.523 68.868 -0.022 0.000 1.342 621 T HN 0.711 nan 8.240 nan 0.000 0.538 622 D N -0.760 119.654 120.400 0.022 0.000 3.041 622 D HA 0.189 4.829 4.640 -0.000 0.000 0.201 622 D C -0.645 175.587 176.300 -0.113 0.000 1.432 622 D CA 0.116 54.000 54.000 -0.192 0.000 1.469 622 D CB -0.091 40.220 40.800 -0.814 0.000 1.051 622 D HN 0.575 nan 8.370 nan 0.000 0.203 623 Y N 0.423 120.832 120.300 0.182 0.000 2.931 623 Y HA 0.684 5.234 4.550 -0.000 0.000 0.330 623 Y C -0.048 175.914 175.900 0.103 0.000 1.115 623 Y CA -0.976 57.215 58.100 0.151 0.000 1.283 623 Y CB 0.982 39.511 38.460 0.115 0.000 1.215 623 Y HN 0.060 nan 8.280 nan 0.000 0.534 624 S N 0.468 116.274 115.700 0.177 0.000 2.549 624 S HA 0.257 4.727 4.470 -0.000 0.000 0.280 624 S C 0.681 175.363 174.600 0.138 0.000 1.109 624 S CA -0.575 57.719 58.200 0.156 0.000 0.905 624 S CB 1.788 65.067 63.200 0.131 0.000 1.081 624 S HN 0.470 nan 8.310 nan 0.000 0.477 625 S N 2.472 118.311 115.700 0.232 0.000 2.603 625 S HA -0.045 4.425 4.470 -0.000 0.000 0.229 625 S C 1.551 176.348 174.600 0.329 0.000 0.972 625 S CA 1.093 59.519 58.200 0.376 0.000 0.935 625 S CB -0.897 62.543 63.200 0.401 0.000 0.769 625 S HN 0.913 nan 8.310 nan 0.000 0.536 626 V N 0.621 120.658 119.914 0.206 0.000 2.649 626 V HA -0.010 4.110 4.120 -0.000 0.000 0.248 626 V C 2.346 178.475 176.094 0.058 0.000 1.054 626 V CA 1.259 63.679 62.300 0.200 0.000 1.073 626 V CB -1.202 30.781 31.823 0.266 0.000 0.699 626 V HN 0.706 nan 8.190 nan 0.000 0.463 627 M N -0.624 118.961 119.600 -0.024 0.000 2.195 627 M HA -0.128 4.352 4.480 -0.000 0.000 0.260 627 M C 1.996 178.308 176.300 0.021 0.000 1.066 627 M CA 2.199 57.450 55.300 -0.082 0.000 1.089 627 M CB -1.095 31.440 32.600 -0.109 0.000 1.377 627 M HN 0.299 nan 8.290 nan 0.000 0.411 628 F N 1.670 121.755 119.950 0.224 0.000 2.407 628 F HA -0.050 4.477 4.527 -0.000 0.000 0.299 628 F C 2.085 177.996 175.800 0.184 0.000 1.097 628 F CA 0.928 59.053 58.000 0.207 0.000 1.422 628 F CB -0.650 38.394 39.000 0.074 0.000 1.067 628 F HN 0.294 nan 8.300 nan 0.000 0.539 629 D N -1.320 119.247 120.400 0.278 0.000 2.214 629 D HA -0.165 4.475 4.640 -0.000 0.000 0.217 629 D C 1.981 178.293 176.300 0.020 0.000 0.973 629 D CA 0.803 54.915 54.000 0.187 0.000 0.880 629 D CB -0.766 40.168 40.800 0.223 0.000 1.031 629 D HN 0.184 nan 8.370 nan 0.000 0.468 630 Y N 2.429 122.462 120.300 -0.445 0.000 2.348 630 Y HA -0.176 4.374 4.550 -0.000 0.000 0.285 630 Y C 2.163 177.988 175.900 -0.124 0.000 1.173 630 Y CA 1.391 59.180 58.100 -0.518 0.000 1.263 630 Y CB -0.638 37.415 38.460 -0.678 0.000 0.974 630 Y HN -0.040 nan 8.280 nan 0.000 0.547 631 G N -0.014 108.804 108.800 0.031 0.000 2.462 631 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 631 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 631 G C 1.731 176.728 174.900 0.163 0.000 1.121 631 G CA 1.098 46.299 45.100 0.168 0.000 0.758 631 G HN 0.518 nan 8.290 nan 0.000 0.559 632 I N 0.251 120.882 120.570 0.102 0.000 2.454 632 I HA -0.093 4.077 4.170 -0.000 0.000 0.254 632 I C 2.128 178.350 176.117 0.176 0.000 1.156 632 I CA 0.693 62.094 61.300 0.169 0.000 1.433 632 I CB -0.041 38.028 38.000 0.115 0.000 1.082 632 I HN 0.128 nan 8.210 nan 0.000 0.432 633 L N 0.110 121.312 121.223 -0.034 0.000 2.591 633 L HA 0.050 4.390 4.340 -0.000 0.000 0.228 633 L C 0.768 177.569 176.870 -0.116 0.000 1.133 633 L CA 0.153 54.938 54.840 -0.092 0.000 0.880 633 L CB -0.351 41.585 42.059 -0.206 0.000 1.033 633 L HN 0.142 nan 8.230 nan 0.000 0.450 634 K N 0.286 120.644 120.400 -0.071 0.000 3.016 634 K HA -0.216 4.104 4.320 -0.000 0.000 0.262 634 K C 0.208 176.740 176.600 -0.113 0.000 1.043 634 K CA 0.513 56.766 56.287 -0.056 0.000 0.761 634 K CB -0.883 31.571 32.500 -0.077 0.000 1.230 634 K HN 0.220 nan 8.250 nan 0.000 0.485 635 R N 0.125 120.482 120.500 -0.239 0.000 2.553 635 R HA 0.365 4.705 4.340 -0.000 0.000 0.263 635 R C -2.449 173.785 176.300 -0.111 0.000 1.066 635 R CA -1.923 54.079 56.100 -0.162 0.000 1.135 635 R CB 0.411 30.590 30.300 -0.203 0.000 1.148 635 R HN -0.143 nan 8.270 nan 0.000 0.558 636 P HA 0.147 nan 4.420 nan 0.000 0.281 636 P C -1.237 175.958 177.300 -0.176 0.000 1.252 636 P CA -0.246 62.775 63.100 -0.133 0.000 0.778 636 P CB 0.994 32.652 31.700 -0.071 0.000 0.895 637 Q N 1.677 121.225 119.800 -0.420 0.000 2.241 637 Q HA 0.652 4.992 4.340 -0.000 0.000 0.262 637 Q C -1.023 174.389 176.000 -0.979 0.000 1.014 637 Q CA -0.527 54.949 55.803 -0.544 0.000 0.885 637 Q CB 1.490 29.886 28.738 -0.570 0.000 1.311 637 Q HN 0.345 nan 8.270 nan 0.000 0.461 638 F N 0.833 120.338 119.950 -0.742 0.000 2.573 638 F HA 0.398 4.925 4.527 -0.000 0.000 0.316 638 F C -1.161 174.267 175.800 -0.621 0.000 1.148 638 F CA -0.589 57.126 58.000 -0.474 0.000 0.940 638 F CB 1.214 40.083 39.000 -0.217 0.000 1.214 638 F HN 0.377 nan 8.300 nan 0.000 0.448 639 F N 4.241 124.287 119.950 0.161 0.000 2.325 639 F HA 0.295 4.822 4.527 -0.000 0.000 0.369 639 F C -0.283 175.676 175.800 0.265 0.000 1.095 639 F CA -0.824 57.251 58.000 0.125 0.000 1.082 639 F CB 0.846 39.824 39.000 -0.037 0.000 1.289 639 F HN 0.370 nan 8.300 nan 0.000 0.462 640 F N 3.754 123.829 119.950 0.209 0.000 2.451 640 F HA 0.587 5.114 4.527 -0.000 0.000 0.356 640 F C 0.311 176.220 175.800 0.182 0.000 1.178 640 F CA -0.647 57.477 58.000 0.207 0.000 1.210 640 F CB 0.224 39.292 39.000 0.113 0.000 1.504 640 F HN 0.508 nan 8.300 nan 0.000 0.598 641 A N 6.167 128.957 122.820 -0.049 0.000 3.215 641 A HA 0.134 4.453 4.320 -0.000 0.000 0.269 641 A C 0.689 178.069 177.584 -0.340 0.000 1.517 641 A CA -0.600 51.274 52.037 -0.272 0.000 1.221 641 A CB -1.186 17.830 19.000 0.027 0.000 1.160 641 A HN 0.964 nan 8.150 nan 0.000 0.620 642 Y N 0.333 120.234 120.300 -0.665 0.000 2.241 642 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 642 Y C 1.231 177.021 175.900 -0.184 0.000 1.166 642 Y CA 1.242 59.078 58.100 -0.439 0.000 1.203 642 Y CB -0.455 37.639 38.460 -0.609 0.000 0.977 642 Y HN 0.520 nan 8.280 nan 0.000 0.529 643 D N 0.400 120.380 120.400 -0.701 0.000 2.388 643 D HA -0.011 4.629 4.640 -0.000 0.000 0.221 643 D C 1.540 177.697 176.300 -0.238 0.000 1.133 643 D CA -0.157 53.617 54.000 -0.377 0.000 0.831 643 D CB -0.844 39.689 40.800 -0.444 0.000 0.962 643 D HN 0.584 nan 8.370 nan 0.000 0.502 644 I N 0.870 121.328 120.570 -0.187 0.000 2.335 644 I HA -0.279 3.891 4.170 -0.000 0.000 0.251 644 I C 1.096 177.156 176.117 -0.095 0.000 1.129 644 I CA 1.384 62.599 61.300 -0.143 0.000 1.402 644 I CB 0.130 38.105 38.000 -0.042 0.000 1.069 644 I HN -0.130 nan 8.210 nan 0.000 0.424 645 D N 0.957 121.325 120.400 -0.053 0.000 2.182 645 D HA -0.206 4.434 4.640 -0.000 0.000 0.201 645 D C 1.960 178.244 176.300 -0.026 0.000 0.986 645 D CA 1.124 55.107 54.000 -0.029 0.000 0.847 645 D CB -0.124 40.671 40.800 -0.009 0.000 0.942 645 D HN 0.507 nan 8.370 nan 0.000 0.467 646 K N 0.412 120.805 120.400 -0.013 0.000 1.969 646 K HA -0.151 4.169 4.320 -0.000 0.000 0.216 646 K C 0.820 177.431 176.600 0.018 0.000 1.048 646 K CA 0.648 56.945 56.287 0.017 0.000 0.948 646 K CB -0.548 31.995 32.500 0.072 0.000 0.726 646 K HN 0.102 nan 8.250 nan 0.000 0.442 647 Y N 2.937 123.090 120.300 -0.245 0.000 2.883 647 Y HA -0.180 4.369 4.550 -0.000 0.000 0.338 647 Y C -0.058 175.655 175.900 -0.311 0.000 1.099 647 Y CA 0.522 58.422 58.100 -0.334 0.000 1.976 647 Y CB -1.804 36.325 38.460 -0.552 0.000 2.062 647 Y HN 0.329 nan 8.280 nan 0.000 0.394 648 D N -0.615 119.697 120.400 -0.148 0.000 3.028 648 D HA -0.325 4.315 4.640 -0.000 0.000 0.207 648 D C 0.837 177.065 176.300 -0.121 0.000 1.100 648 D CA 1.126 55.032 54.000 -0.155 0.000 0.995 648 D CB -0.876 39.797 40.800 -0.210 0.000 1.108 648 D HN 0.695 nan 8.370 nan 0.000 0.421 649 K N -2.434 117.906 120.400 -0.100 0.000 3.529 649 K HA -0.190 4.130 4.320 -0.000 0.000 0.313 649 K C 0.684 177.238 176.600 -0.077 0.000 1.316 649 K CA 1.284 57.527 56.287 -0.073 0.000 0.988 649 K CB -1.559 30.908 32.500 -0.054 0.000 1.252 649 K HN 0.644 nan 8.250 nan 0.000 0.438 650 G N 1.284 110.014 108.800 -0.117 0.000 2.823 650 G HA2 0.167 4.127 3.960 -0.000 0.000 0.235 650 G HA3 0.167 4.127 3.960 -0.000 0.000 0.235 650 G C -0.490 174.326 174.900 -0.139 0.000 3.696 650 G CA -0.406 44.629 45.100 -0.108 0.000 0.652 650 G HN 0.266 nan 8.290 nan 0.000 0.431 651 L N -0.962 120.110 121.223 -0.252 0.000 2.326 651 L HA 0.761 5.101 4.340 -0.000 0.000 0.278 651 L C 1.094 177.853 176.870 -0.185 0.000 1.092 651 L CA -1.075 53.606 54.840 -0.266 0.000 0.810 651 L CB 0.886 42.701 42.059 -0.406 0.000 1.153 651 L HN 0.170 nan 8.230 nan 0.000 0.439 652 R N 2.630 123.072 120.500 -0.097 0.000 2.313 652 R HA 0.117 4.457 4.340 -0.000 0.000 0.199 652 R C 1.826 178.115 176.300 -0.018 0.000 0.958 652 R CA 0.643 56.731 56.100 -0.020 0.000 1.047 652 R CB -0.020 30.272 30.300 -0.013 0.000 0.955 652 R HN 1.005 nan 8.270 nan 0.000 0.481 653 G N 0.105 108.862 108.800 -0.072 0.000 2.807 653 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.207 653 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.207 653 G C -0.237 174.801 174.900 0.230 0.000 1.151 653 G CA 0.282 45.367 45.100 -0.025 0.000 0.800 653 G HN 0.049 nan 8.290 nan 0.000 0.523 654 F N -1.171 118.709 119.950 -0.117 0.000 2.520 654 F HA 0.490 5.017 4.527 -0.000 0.000 0.322 654 F C 0.458 176.267 175.800 0.015 0.000 1.103 654 F CA -2.519 55.448 58.000 -0.055 0.000 0.926 654 F CB 1.582 40.625 39.000 0.072 0.000 1.154 654 F HN -0.046 nan 8.300 nan 0.000 0.453 655 Y N 1.313 121.780 120.300 0.277 0.000 2.421 655 Y HA -0.074 4.476 4.550 -0.000 0.000 0.292 655 Y C 0.981 177.077 175.900 0.327 0.000 1.136 655 Y CA 0.622 58.850 58.100 0.214 0.000 1.255 655 Y CB -0.457 38.068 38.460 0.110 0.000 0.991 655 Y HN 0.479 nan 8.280 nan 0.000 0.552 656 M N -2.043 117.869 119.600 0.520 0.000 2.796 656 M HA 0.483 4.963 4.480 -0.000 0.000 0.303 656 M C -0.661 175.862 176.300 0.372 0.000 1.240 656 M CA -1.120 54.441 55.300 0.435 0.000 0.831 656 M CB 1.148 33.991 32.600 0.405 0.000 1.750 656 M HN -0.298 nan 8.290 nan 0.000 0.484 657 N N 0.762 119.633 118.700 0.285 0.000 2.521 657 N HA 0.158 4.898 4.740 -0.000 0.000 0.236 657 N C -0.283 175.374 175.510 0.246 0.000 1.067 657 N CA -0.090 53.104 53.050 0.239 0.000 0.939 657 N CB 0.012 38.595 38.487 0.159 0.000 1.201 657 N HN 0.766 nan 8.380 nan 0.000 0.511 658 Y N 3.482 123.898 120.300 0.193 0.000 2.128 658 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 658 Y C 1.759 177.685 175.900 0.044 0.000 1.154 658 Y CA 1.738 59.930 58.100 0.152 0.000 1.149 658 Y CB 0.077 38.687 38.460 0.249 0.000 0.976 658 Y HN 0.498 nan 8.280 nan 0.000 0.505 659 M N 0.132 119.852 119.600 0.201 0.000 2.080 659 M HA -0.184 4.296 4.480 -0.000 0.000 0.260 659 M C 1.735 178.045 176.300 0.017 0.000 1.068 659 M CA 1.671 57.027 55.300 0.095 0.000 1.109 659 M CB -0.734 31.925 32.600 0.098 0.000 1.342 659 M HN 0.209 nan 8.290 nan 0.000 0.405 660 E N 0.097 120.321 120.200 0.039 0.000 2.551 660 E HA -0.012 4.338 4.350 -0.000 0.000 0.286 660 E C -0.208 176.403 176.600 0.018 0.000 0.719 660 E CA 0.759 57.178 56.400 0.033 0.000 1.509 660 E CB -0.230 29.504 29.700 0.057 0.000 1.531 660 E HN 0.395 nan 8.360 nan 0.000 0.526 661 D N 2.146 122.586 120.400 0.067 0.000 2.429 661 D HA 0.141 4.781 4.640 -0.000 0.000 0.253 661 D C -0.018 176.354 176.300 0.121 0.000 1.294 661 D CA 0.244 54.314 54.000 0.117 0.000 1.063 661 D CB -0.765 40.135 40.800 0.168 0.000 1.096 661 D HN 0.271 nan 8.370 nan 0.000 0.516 662 L N -1.664 119.549 121.223 -0.015 0.000 2.540 662 L HA 0.593 4.933 4.340 -0.000 0.000 0.256 662 L C -2.554 174.183 176.870 -0.222 0.000 1.001 662 L CA -2.339 52.397 54.840 -0.173 0.000 0.843 662 L CB 2.399 44.047 42.059 -0.685 0.000 1.436 662 L HN -0.276 nan 8.230 nan 0.000 0.410 663 P HA 0.200 nan 4.420 nan 0.000 0.245 663 P C 0.299 177.431 177.300 -0.280 0.000 1.212 663 P CA 0.455 63.405 63.100 -0.249 0.000 0.774 663 P CB 0.369 31.770 31.700 -0.500 0.000 0.999 664 G N -0.574 108.078 108.800 -0.248 0.000 2.788 664 G HA2 0.573 4.533 3.960 -0.000 0.000 0.293 664 G HA3 0.573 4.533 3.960 -0.000 0.000 0.293 664 G C -3.357 171.281 174.900 -0.436 0.000 1.392 664 G CA -1.668 43.026 45.100 -0.676 0.000 0.810 664 G HN -0.308 nan 8.290 nan 0.000 0.508 665 P HA 0.419 nan 4.420 nan 0.000 0.277 665 P C -0.444 176.845 177.300 -0.020 0.000 1.240 665 P CA -0.353 62.645 63.100 -0.170 0.000 0.798 665 P CB 1.063 32.671 31.700 -0.154 0.000 0.979 666 I N 2.240 122.760 120.570 -0.083 0.000 2.315 666 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 666 I C -0.266 175.816 176.117 -0.058 0.000 1.006 666 I CA -0.522 60.807 61.300 0.047 0.000 1.265 666 I CB 0.294 38.336 38.000 0.070 0.000 1.387 666 I HN 0.280 nan 8.210 nan 0.000 0.475 667 Y N 3.196 123.655 120.300 0.266 0.000 2.446 667 Y HA 0.263 4.813 4.550 -0.000 0.000 0.338 667 Y C 1.372 177.462 175.900 0.316 0.000 1.055 667 Y CA -0.595 57.664 58.100 0.265 0.000 1.101 667 Y CB 2.040 40.642 38.460 0.237 0.000 1.221 667 Y HN 0.598 nan 8.280 nan 0.000 0.460 668 T N -2.959 111.846 114.554 0.419 0.000 2.990 668 T HA 0.099 4.449 4.350 -0.000 0.000 0.250 668 T C 0.121 175.074 174.700 0.421 0.000 1.041 668 T CA -0.087 62.198 62.100 0.308 0.000 1.010 668 T CB 0.347 69.329 68.868 0.189 0.000 1.003 668 T HN 0.577 nan 8.240 nan 0.000 0.499 669 E N 1.945 122.406 120.200 0.435 0.000 2.288 669 E HA 0.334 4.684 4.350 -0.000 0.000 0.268 669 E C -2.694 173.880 176.600 -0.043 0.000 0.885 669 E CA -2.175 54.390 56.400 0.275 0.000 0.767 669 E CB 2.574 32.403 29.700 0.216 0.000 1.220 669 E HN -0.084 nan 8.360 nan 0.000 0.427 670 P HA 0.058 nan 4.420 nan 0.000 0.230 670 P C 0.680 177.456 177.300 -0.873 0.000 1.168 670 P CA 0.684 63.165 63.100 -1.032 0.000 0.793 670 P CB -0.056 30.909 31.700 -1.224 0.000 0.851 671 Y N 0.395 120.558 120.300 -0.229 0.000 2.220 671 Y HA 0.069 4.619 4.550 -0.000 0.000 0.291 671 Y C 2.816 178.578 175.900 -0.230 0.000 1.129 671 Y CA 1.308 59.289 58.100 -0.197 0.000 1.161 671 Y CB -1.906 36.494 38.460 -0.100 0.000 0.997 671 Y HN -0.061 nan 8.280 nan 0.000 0.522 672 G N 0.408 109.146 108.800 -0.103 0.000 2.440 672 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 672 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 672 G C 1.760 176.282 174.900 -0.631 0.000 1.154 672 G CA 0.900 45.898 45.100 -0.169 0.000 0.767 672 G HN 0.373 nan 8.290 nan 0.000 0.552 673 L N 0.540 121.116 121.223 -1.079 0.000 1.976 673 L HA -0.067 4.273 4.340 -0.000 0.000 0.209 673 L C 3.315 179.740 176.870 -0.741 0.000 1.071 673 L CA 1.743 55.857 54.840 -1.210 0.000 0.746 673 L CB -0.550 40.892 42.059 -1.029 0.000 0.890 673 L HN 0.324 nan 8.230 nan 0.000 0.432 674 A N -0.114 122.358 122.820 -0.580 0.000 1.958 674 A HA -0.258 4.062 4.320 -0.000 0.000 0.221 674 A C 2.191 179.603 177.584 -0.286 0.000 1.178 674 A CA 1.969 53.760 52.037 -0.411 0.000 0.642 674 A CB -0.436 18.392 19.000 -0.287 0.000 0.816 674 A HN 0.429 nan 8.150 nan 0.000 0.453 675 K N -0.682 119.587 120.400 -0.218 0.000 2.103 675 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 675 K C 1.872 178.411 176.600 -0.102 0.000 1.052 675 K CA 1.452 57.669 56.287 -0.117 0.000 0.945 675 K CB -0.307 32.158 32.500 -0.057 0.000 0.722 675 K HN 0.739 nan 8.250 nan 0.000 0.443 676 E N 0.709 120.828 120.200 -0.136 0.000 2.274 676 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 676 E C 1.500 178.049 176.600 -0.085 0.000 0.996 676 E CA 0.231 56.615 56.400 -0.027 0.000 0.840 676 E CB 0.104 29.861 29.700 0.095 0.000 0.772 676 E HN -0.040 nan 8.360 nan 0.000 0.491 677 L N 0.488 121.530 121.223 -0.302 0.000 2.478 677 L HA 0.055 4.395 4.340 -0.000 0.000 0.223 677 L C 1.529 178.252 176.870 -0.244 0.000 1.140 677 L CA 1.173 55.756 54.840 -0.428 0.000 0.842 677 L CB -0.138 41.510 42.059 -0.687 0.000 0.953 677 L HN -0.043 nan 8.230 nan 0.000 0.452 678 K N -0.200 120.162 120.400 -0.065 0.000 1.965 678 K HA -0.080 4.240 4.320 -0.000 0.000 0.214 678 K C 0.955 177.680 176.600 0.209 0.000 1.042 678 K CA 0.988 57.354 56.287 0.133 0.000 0.950 678 K CB -0.203 32.343 32.500 0.076 0.000 0.733 678 K HN 0.061 nan 8.250 nan 0.000 0.441 679 N N 1.767 120.545 118.700 0.130 0.000 2.739 679 N HA 0.013 4.753 4.740 -0.000 0.000 0.266 679 N C 0.510 176.116 175.510 0.160 0.000 1.168 679 N CA 0.203 53.331 53.050 0.131 0.000 1.055 679 N CB -0.110 38.434 38.487 0.096 0.000 1.393 679 N HN 0.188 nan 8.380 nan 0.000 0.514 680 L N 0.760 122.105 121.223 0.204 0.000 2.042 680 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 680 L C 1.167 178.139 176.870 0.169 0.000 1.076 680 L CA 1.168 56.139 54.840 0.218 0.000 0.749 680 L CB -0.110 42.099 42.059 0.249 0.000 0.893 680 L HN 0.390 nan 8.230 nan 0.000 0.432 681 D N -0.188 120.289 120.400 0.128 0.000 2.182 681 D HA -0.212 4.428 4.640 -0.000 0.000 0.201 681 D C 2.077 178.435 176.300 0.096 0.000 0.986 681 D CA 1.054 55.112 54.000 0.096 0.000 0.847 681 D CB -0.082 40.759 40.800 0.070 0.000 0.942 681 D HN 0.229 nan 8.370 nan 0.000 0.467 682 K N 0.902 121.367 120.400 0.108 0.000 2.296 682 K HA -0.042 4.278 4.320 -0.000 0.000 0.200 682 K C 1.748 178.433 176.600 0.140 0.000 1.048 682 K CA 0.321 56.670 56.287 0.103 0.000 0.966 682 K CB 0.364 32.922 32.500 0.097 0.000 0.754 682 K HN 0.004 nan 8.250 nan 0.000 0.466 683 V N 0.629 120.657 119.914 0.190 0.000 2.535 683 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 683 V C 2.373 178.601 176.094 0.224 0.000 1.045 683 V CA 1.447 63.904 62.300 0.262 0.000 1.058 683 V CB -0.433 31.583 31.823 0.321 0.000 0.689 683 V HN 0.312 nan 8.190 nan 0.000 0.461 684 Q N 0.181 120.069 119.800 0.146 0.000 2.170 684 Q HA -0.222 4.118 4.340 -0.000 0.000 0.203 684 Q C 2.240 178.294 176.000 0.090 0.000 0.976 684 Q CA 1.826 57.691 55.803 0.103 0.000 0.858 684 Q CB -0.142 28.640 28.738 0.075 0.000 0.907 684 Q HN 0.697 nan 8.270 nan 0.000 0.433 685 Q N -0.374 119.472 119.800 0.076 0.000 1.994 685 Q HA -0.183 4.157 4.340 -0.000 0.000 0.198 685 Q C 2.181 178.182 176.000 0.002 0.000 0.976 685 Q CA 1.428 57.253 55.803 0.036 0.000 0.828 685 Q CB -0.128 28.627 28.738 0.028 0.000 0.894 685 Q HN 0.464 nan 8.270 nan 0.000 0.432 686 Q N -0.670 119.117 119.800 -0.021 0.000 2.248 686 Q HA -0.197 4.143 4.340 -0.000 0.000 0.208 686 Q C 0.642 176.407 176.000 -0.392 0.000 0.984 686 Q CA 1.510 57.190 55.803 -0.206 0.000 0.875 686 Q CB 0.145 28.740 28.738 -0.239 0.000 0.910 686 Q HN 0.423 nan 8.270 nan 0.000 0.433 687 Y N -2.437 117.854 120.300 -0.015 0.000 2.500 687 Y HA 0.067 4.617 4.550 -0.000 0.000 0.246 687 Y C 1.698 177.586 175.900 -0.021 0.000 1.146 687 Y CA -0.298 57.784 58.100 -0.031 0.000 1.230 687 Y CB 0.573 38.989 38.460 -0.073 0.000 1.214 687 Y HN 0.008 nan 8.280 nan 0.000 0.526 688 Q N 1.383 121.241 119.800 0.097 0.000 2.217 688 Q HA -0.229 4.111 4.340 -0.000 0.000 0.209 688 Q C 1.608 177.642 176.000 0.056 0.000 0.988 688 Q CA 1.999 57.836 55.803 0.058 0.000 0.878 688 Q CB 0.013 28.767 28.738 0.026 0.000 0.909 688 Q HN 0.381 nan 8.270 nan 0.000 0.424 689 E N 0.179 120.406 120.200 0.044 0.000 2.007 689 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 689 E C 1.931 178.583 176.600 0.087 0.000 0.999 689 E CA 1.375 57.801 56.400 0.042 0.000 0.811 689 E CB -0.239 29.464 29.700 0.005 0.000 0.762 689 E HN 0.426 nan 8.360 nan 0.000 0.450 690 K N 0.409 120.885 120.400 0.126 0.000 2.147 690 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 690 K C 2.331 179.046 176.600 0.191 0.000 1.049 690 K CA 0.690 57.077 56.287 0.166 0.000 0.936 690 K CB -0.125 32.505 32.500 0.216 0.000 0.722 690 K HN 0.101 nan 8.250 nan 0.000 0.446 691 I N 1.291 121.956 120.570 0.159 0.000 2.142 691 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 691 I C 1.791 178.039 176.117 0.218 0.000 1.078 691 I CA 1.246 62.634 61.300 0.146 0.000 1.343 691 I CB -0.280 37.763 38.000 0.070 0.000 1.046 691 I HN 0.153 nan 8.210 nan 0.000 0.405 692 D N 1.118 121.605 120.400 0.144 0.000 2.092 692 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 692 D C 2.228 178.644 176.300 0.193 0.000 0.994 692 D CA 1.736 55.811 54.000 0.125 0.000 0.828 692 D CB -0.239 40.589 40.800 0.047 0.000 0.963 692 D HN 0.337 nan 8.370 nan 0.000 0.450 693 A N 0.107 123.027 122.820 0.167 0.000 1.940 693 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 693 A C 2.144 179.843 177.584 0.191 0.000 1.176 693 A CA 1.112 53.234 52.037 0.143 0.000 0.631 693 A CB -1.011 18.058 19.000 0.115 0.000 0.814 693 A HN 0.309 nan 8.150 nan 0.000 0.446 694 F N -1.441 118.602 119.950 0.155 0.000 2.259 694 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 694 F C 2.021 177.994 175.800 0.289 0.000 1.088 694 F CA 1.581 59.733 58.000 0.252 0.000 1.358 694 F CB -0.210 38.914 39.000 0.206 0.000 1.040 694 F HN 0.396 nan 8.300 nan 0.000 0.505 695 Y N 0.861 121.337 120.300 0.293 0.000 2.220 695 Y HA -0.193 4.357 4.550 -0.000 0.000 0.291 695 Y C 2.148 178.064 175.900 0.027 0.000 1.129 695 Y CA 1.832 60.035 58.100 0.172 0.000 1.161 695 Y CB -0.522 38.015 38.460 0.129 0.000 0.997 695 Y HN -0.029 nan 8.280 nan 0.000 0.522 696 D N 0.191 120.733 120.400 0.237 0.000 2.116 696 D HA -0.221 4.419 4.640 -0.000 0.000 0.193 696 D C 2.163 178.357 176.300 -0.176 0.000 0.998 696 D CA 1.639 55.681 54.000 0.070 0.000 0.836 696 D CB -0.361 40.468 40.800 0.047 0.000 0.951 696 D HN 0.356 nan 8.370 nan 0.000 0.449 697 R N -1.071 119.229 120.500 -0.332 0.000 2.093 697 R HA -0.033 4.307 4.340 -0.000 0.000 0.224 697 R C 1.423 177.165 176.300 -0.929 0.000 1.101 697 R CA 0.938 56.606 56.100 -0.721 0.000 0.979 697 R CB 0.035 29.685 30.300 -1.083 0.000 0.877 697 R HN 0.162 nan 8.270 nan 0.000 0.441 698 F N -2.341 117.364 119.950 -0.407 0.000 2.740 698 F HA 0.173 4.700 4.527 -0.000 0.000 0.304 698 F C 1.384 176.998 175.800 -0.311 0.000 1.098 698 F CA -0.355 57.399 58.000 -0.409 0.000 1.258 698 F CB 0.683 39.374 39.000 -0.515 0.000 1.061 698 F HN 0.005 nan 8.300 nan 0.000 0.598 699 C N -0.660 118.490 119.300 -0.250 0.000 3.336 699 C HA 0.165 4.625 4.460 -0.000 0.000 0.291 699 C C 2.487 177.144 174.990 -0.555 0.000 1.363 699 C CA 0.222 59.020 59.018 -0.367 0.000 1.737 699 C CB -1.155 26.324 27.740 -0.435 0.000 2.274 699 C HN 0.458 nan 8.230 nan 0.000 0.663 700 S N 1.232 116.654 115.700 -0.463 0.000 2.453 700 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 700 S C 1.522 176.030 174.600 -0.154 0.000 1.005 700 S CA 1.249 59.274 58.200 -0.293 0.000 0.949 700 S CB -0.491 62.623 63.200 -0.144 0.000 0.774 700 S HN 0.394 nan 8.310 nan 0.000 0.510 701 V N 1.838 121.656 119.914 -0.161 0.000 2.379 701 V HA -0.025 4.095 4.120 -0.000 0.000 0.245 701 V C 0.973 177.006 176.094 -0.102 0.000 1.044 701 V CA 1.015 63.240 62.300 -0.125 0.000 1.036 701 V CB -0.820 30.918 31.823 -0.142 0.000 0.664 701 V HN 0.465 nan 8.190 nan 0.000 0.453 702 D N 1.976 122.316 120.400 -0.099 0.000 2.451 702 D HA -0.020 4.620 4.640 -0.000 0.000 0.254 702 D C 0.739 177.032 176.300 -0.013 0.000 1.204 702 D CA 0.629 54.599 54.000 -0.051 0.000 0.896 702 D CB 0.105 40.892 40.800 -0.021 0.000 1.136 702 D HN 0.776 nan 8.370 nan 0.000 0.499 703 N N 1.149 119.846 118.700 -0.006 0.000 2.194 703 N HA 0.183 4.923 4.740 -0.000 0.000 0.231 703 N C 1.061 176.589 175.510 0.030 0.000 1.247 703 N CA -0.337 52.723 53.050 0.018 0.000 0.884 703 N CB 0.967 39.455 38.487 0.002 0.000 1.146 703 N HN 0.369 nan 8.380 nan 0.000 0.516 704 G N 1.547 110.367 108.800 0.034 0.000 2.168 704 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.257 704 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.257 704 G C 0.544 175.466 174.900 0.037 0.000 0.997 704 G CA 0.631 45.760 45.100 0.048 0.000 0.708 704 G HN 0.481 nan 8.290 nan 0.000 0.520 705 K N -0.273 120.135 120.400 0.014 0.000 2.358 705 K HA 0.545 4.865 4.320 -0.000 0.000 0.197 705 K C 2.518 179.109 176.600 -0.015 0.000 1.025 705 K CA 0.473 56.759 56.287 -0.002 0.000 1.104 705 K CB 0.421 32.923 32.500 0.003 0.000 0.855 705 K HN 0.372 nan 8.250 nan 0.000 0.531 706 A N 1.705 124.526 122.820 0.002 0.000 1.883 706 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 706 A C 2.200 179.794 177.584 0.017 0.000 1.186 706 A CA 2.068 54.119 52.037 0.024 0.000 0.624 706 A CB -0.536 18.489 19.000 0.042 0.000 0.822 706 A HN 0.212 nan 8.150 nan 0.000 0.444 707 S N -0.526 115.175 115.700 0.002 0.000 2.370 707 S HA -0.260 4.210 4.470 -0.000 0.000 0.226 707 S C 2.092 176.426 174.600 -0.442 0.000 1.033 707 S CA 1.567 59.745 58.200 -0.035 0.000 1.011 707 S CB -0.435 62.841 63.200 0.127 0.000 0.852 707 S HN 0.752 nan 8.310 nan 0.000 0.457 708 Q N 0.191 119.611 119.800 -0.633 0.000 2.030 708 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 708 Q C 2.013 177.729 176.000 -0.472 0.000 0.986 708 Q CA 1.786 56.972 55.803 -1.027 0.000 0.843 708 Q CB -0.442 28.023 28.738 -0.456 0.000 0.904 708 Q HN 0.611 nan 8.270 nan 0.000 0.420 709 Y N 0.526 120.659 120.300 -0.279 0.000 2.081 709 Y HA -0.292 4.258 4.550 -0.000 0.000 0.280 709 Y C 1.961 177.778 175.900 -0.137 0.000 1.163 709 Y CA 1.870 59.875 58.100 -0.159 0.000 1.135 709 Y CB -0.183 38.208 38.460 -0.114 0.000 0.970 709 Y HN 0.226 nan 8.280 nan 0.000 0.498 710 I N -0.083 120.457 120.570 -0.050 0.000 2.113 710 I HA -0.237 3.933 4.170 -0.000 0.000 0.238 710 I C 2.750 178.827 176.117 -0.068 0.000 1.070 710 I CA 1.688 62.943 61.300 -0.075 0.000 1.332 710 I CB -2.025 35.995 38.000 0.032 0.000 1.044 710 I HN 0.389 nan 8.210 nan 0.000 0.402 711 G N 0.795 109.590 108.800 -0.007 0.000 2.505 711 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.220 711 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.220 711 G C 1.325 176.330 174.900 0.174 0.000 1.145 711 G CA 1.100 46.326 45.100 0.210 0.000 0.761 711 G HN 0.329 nan 8.290 nan 0.000 0.571 712 D N -0.100 120.342 120.400 0.069 0.000 2.117 712 D HA -0.073 4.567 4.640 -0.000 0.000 0.198 712 D C 2.406 178.665 176.300 -0.068 0.000 0.982 712 D CA 0.469 54.512 54.000 0.071 0.000 0.828 712 D CB -0.401 40.396 40.800 -0.005 0.000 0.967 712 D HN 0.205 nan 8.370 nan 0.000 0.464 713 L N 1.277 122.350 121.223 -0.250 0.000 1.971 713 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 713 L C 2.205 178.977 176.870 -0.163 0.000 1.072 713 L CA 1.500 56.169 54.840 -0.285 0.000 0.758 713 L CB -0.951 40.849 42.059 -0.432 0.000 0.889 713 L HN 0.017 nan 8.230 nan 0.000 0.433 714 I N -1.005 119.466 120.570 -0.166 0.000 2.315 714 I HA -0.384 3.786 4.170 -0.000 0.000 0.251 714 I C 2.480 178.362 176.117 -0.393 0.000 1.125 714 I CA 1.707 62.800 61.300 -0.344 0.000 1.392 714 I CB -0.403 37.428 38.000 -0.281 0.000 1.065 714 I HN 0.528 nan 8.210 nan 0.000 0.424 715 H N 0.943 119.804 119.070 -0.349 0.000 2.317 715 H HA -0.134 4.422 4.556 -0.000 0.000 0.304 715 H C 2.256 177.476 175.328 -0.180 0.000 1.067 715 H CA 1.702 57.535 56.048 -0.358 0.000 1.352 715 H CB 0.036 29.444 29.762 -0.590 0.000 1.398 715 H HN 0.015 nan 8.280 nan 0.000 0.510 716 K N -0.170 120.175 120.400 -0.093 0.000 2.160 716 K HA -0.191 4.128 4.320 -0.000 0.000 0.206 716 K C 1.386 177.914 176.600 -0.120 0.000 1.047 716 K CA 2.084 58.318 56.287 -0.089 0.000 0.930 716 K CB -0.037 32.443 32.500 -0.034 0.000 0.720 716 K HN 0.396 nan 8.250 nan 0.000 0.450 717 D N 0.102 120.430 120.400 -0.120 0.000 2.091 717 D HA -0.081 4.559 4.640 -0.000 0.000 0.199 717 D C 1.314 177.566 176.300 -0.080 0.000 0.980 717 D CA 1.315 55.294 54.000 -0.034 0.000 0.831 717 D CB 0.066 40.944 40.800 0.131 0.000 0.987 717 D HN 0.377 nan 8.370 nan 0.000 0.460 718 I N -2.210 118.228 120.570 -0.220 0.000 3.764 718 I HA 0.238 4.408 4.170 -0.000 0.000 0.312 718 I C 1.163 177.187 176.117 -0.156 0.000 1.340 718 I CA 0.368 61.551 61.300 -0.195 0.000 1.195 718 I CB 0.141 37.930 38.000 -0.352 0.000 1.068 718 I HN -0.108 nan 8.210 nan 0.000 0.421 719 K N 1.365 121.660 120.400 -0.174 0.000 2.286 719 K HA 0.103 4.423 4.320 -0.000 0.000 0.203 719 K C 1.682 178.240 176.600 -0.071 0.000 1.078 719 K CA 0.298 56.500 56.287 -0.141 0.000 0.957 719 K CB 0.364 32.727 32.500 -0.229 0.000 1.018 719 K HN 0.296 nan 8.250 nan 0.000 0.484 720 E N 1.099 121.262 120.200 -0.062 0.000 2.033 720 E HA -0.260 4.090 4.350 -0.000 0.000 0.199 720 E C 1.949 178.534 176.600 -0.024 0.000 1.011 720 E CA 1.460 57.842 56.400 -0.031 0.000 0.815 720 E CB -0.037 29.651 29.700 -0.020 0.000 0.755 720 E HN 0.278 nan 8.360 nan 0.000 0.451 721 Q N 0.005 119.790 119.800 -0.025 0.000 2.376 721 Q HA -0.147 4.193 4.340 -0.000 0.000 0.211 721 Q C 0.379 176.370 176.000 -0.014 0.000 0.986 721 Q CA 0.400 56.193 55.803 -0.017 0.000 0.886 721 Q CB 0.034 28.767 28.738 -0.010 0.000 0.927 721 Q HN 0.106 nan 8.270 nan 0.000 0.457 722 L N 1.644 122.858 121.223 -0.015 0.000 2.672 722 L HA 0.116 4.456 4.340 -0.000 0.000 0.238 722 L C -0.505 176.364 176.870 -0.002 0.000 1.392 722 L CA 1.065 55.903 54.840 -0.003 0.000 1.238 722 L CB -0.693 41.369 42.059 0.004 0.000 1.548 722 L HN 0.068 nan 8.230 nan 0.000 0.423 723 E N 0.000 120.197 120.200 -0.004 0.000 2.725 723 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 723 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 723 E CB 0.000 29.698 29.700 -0.004 0.000 0.812 723 E HN 0.000 nan 8.360 nan 0.000 0.440