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 3n5y_1_A DATA FIRST_RESID 299 DATA SEQUENCE RFLKVKNWET DVVLTDTLHL KSTLETGCTE HICMGSIMLP XXXXXXXXXX DATA SEQUENCE XTKDQLFPLA KEFLDQYYSS IKRFGSKAHM DRLEEVNKEI ESTSTYQLKD DATA SEQUENCE TELIYGAKHA WRNASRCVGR IQWSKLQVFD ARDCTTAHGM FNYICNHVKY DATA SEQUENCE ATNKGNLRSA ITIFPQRTDG KHDFRVWNSQ LIRYAGYKQP DGSTLGDPAN DATA SEQUENCE VQFTEICIQQ GWKAPRGRFD VLPLLLQANG NDPELFQIPP ELVLEVPIRH DATA SEQUENCE PKFDWFKDLG LKWYGLPAVS NMLLEIGGLE FSACPFSGWY MGTEIGVRDY DATA SEQUENCE CDNSRYNILE EVAKKMDLDM RKTSSLWKDQ ALVEINIAVL YSFQSDKVTI DATA SEQUENCE VDHHSATESF IKHMENEYRC RGGCPADWVW IVPPMSGSIT PVFHQEMLNY DATA SEQUENCE RLTPSFEYQP DPWNTHVW 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 299 R HA 0.000 nan 4.340 nan 0.000 0.208 299 R C 0.000 176.633 176.300 0.555 0.000 0.893 299 R CA 0.000 56.285 56.100 0.309 0.000 0.921 299 R CB 0.000 30.437 30.300 0.229 0.000 0.687 300 F N 2.414 122.429 119.950 0.107 0.000 2.408 300 F HA 0.558 5.191 4.527 0.177 0.000 0.344 300 F C -0.184 175.674 175.800 0.097 0.000 1.112 300 F CA -0.904 57.172 58.000 0.127 0.000 1.096 300 F CB 1.346 40.382 39.000 0.061 0.000 1.129 300 F HN -0.024 nan 8.300 nan 0.000 0.486 301 L N 3.926 125.283 121.223 0.224 0.000 2.346 301 L HA 0.504 4.950 4.340 0.176 0.000 0.274 301 L C -0.324 176.600 176.870 0.089 0.000 1.007 301 L CA -0.856 54.029 54.840 0.076 0.000 0.818 301 L CB 2.134 44.116 42.059 -0.127 0.000 1.284 301 L HN 0.470 nan 8.230 nan 0.000 0.424 302 K N 2.383 122.819 120.400 0.060 0.000 2.182 302 K HA 0.644 5.069 4.320 0.176 0.000 0.262 302 K C -1.067 175.542 176.600 0.016 0.000 0.957 302 K CA -0.703 55.604 56.287 0.034 0.000 0.842 302 K CB 2.514 35.024 32.500 0.018 0.000 1.099 302 K HN 0.394 nan 8.250 nan 0.000 0.438 303 V N -0.304 119.592 119.914 -0.030 0.000 2.540 303 V HA 0.521 4.747 4.120 0.176 0.000 0.302 303 V C -0.647 175.393 176.094 -0.091 0.000 1.035 303 V CA -1.018 61.264 62.300 -0.030 0.000 0.873 303 V CB 1.474 33.281 31.823 -0.025 0.000 0.992 303 V HN 0.721 nan 8.190 nan 0.000 0.428 304 K N 3.591 123.950 120.400 -0.069 0.000 2.164 304 K HA 0.436 4.862 4.320 0.176 0.000 0.258 304 K C -0.471 176.053 176.600 -0.128 0.000 0.951 304 K CA -0.640 55.519 56.287 -0.213 0.000 0.844 304 K CB 1.478 33.699 32.500 -0.465 0.000 1.099 304 K HN 0.898 nan 8.250 nan 0.000 0.435 305 N N 3.870 122.485 118.700 -0.142 0.000 2.422 305 N HA 0.087 4.933 4.740 0.176 0.000 0.266 305 N C -0.411 175.068 175.510 -0.052 0.000 1.007 305 N CA -0.279 52.783 53.050 0.019 0.000 0.941 305 N CB 0.527 39.040 38.487 0.043 0.000 1.115 305 N HN 0.679 nan 8.380 nan 0.000 0.492 306 W N 1.988 123.372 121.300 0.139 0.000 3.256 306 W HA 0.193 4.959 4.660 0.176 0.000 0.269 306 W C 1.987 178.556 176.519 0.083 0.000 1.310 306 W CA -0.241 57.177 57.345 0.121 0.000 1.673 306 W CB 0.424 29.981 29.460 0.162 0.000 1.115 306 W HN 0.656 nan 8.180 nan 0.000 0.686 307 E N -0.297 120.025 120.200 0.204 0.000 2.127 307 E HA -0.101 4.355 4.350 0.176 0.000 0.191 307 E C 1.857 178.464 176.600 0.012 0.000 0.964 307 E CA 1.666 58.079 56.400 0.022 0.000 0.832 307 E CB 0.167 29.807 29.700 -0.099 0.000 0.790 307 E HN 0.197 nan 8.360 nan 0.000 0.465 308 T N -2.746 111.816 114.554 0.013 0.000 3.023 308 T HA 0.126 4.582 4.350 0.176 0.000 0.253 308 T C 0.332 175.002 174.700 -0.051 0.000 1.038 308 T CA 0.437 62.529 62.100 -0.015 0.000 0.962 308 T CB 0.339 69.204 68.868 -0.005 0.000 1.018 308 T HN 0.004 nan 8.240 nan 0.000 0.521 309 D N 0.101 120.445 120.400 -0.093 0.000 3.006 309 D HA -0.133 4.613 4.640 0.176 0.000 0.208 309 D C -0.027 176.177 176.300 -0.159 0.000 1.116 309 D CA 0.666 54.566 54.000 -0.166 0.000 0.998 309 D CB -1.885 38.839 40.800 -0.126 0.000 1.124 309 D HN 0.470 nan 8.370 nan 0.000 0.413 310 V N 0.768 120.612 119.914 -0.116 0.000 2.599 310 V HA 0.137 4.363 4.120 0.176 0.000 0.300 310 V C 0.899 176.905 176.094 -0.146 0.000 1.034 310 V CA 0.045 62.279 62.300 -0.109 0.000 1.115 310 V CB 1.456 33.231 31.823 -0.080 0.000 0.934 310 V HN -0.021 nan 8.190 nan 0.000 0.485 311 V N 6.969 126.800 119.914 -0.139 0.000 2.459 311 V HA 0.527 4.753 4.120 0.176 0.000 0.295 311 V C -0.133 175.872 176.094 -0.149 0.000 1.029 311 V CA -0.552 61.660 62.300 -0.148 0.000 0.874 311 V CB 1.603 33.352 31.823 -0.123 0.000 0.985 311 V HN 0.623 nan 8.190 nan 0.000 0.438 312 L N 3.258 124.353 121.223 -0.215 0.000 2.342 312 L HA 0.694 5.140 4.340 0.176 0.000 0.271 312 L C -0.019 176.776 176.870 -0.124 0.000 1.008 312 L CA -0.458 54.218 54.840 -0.275 0.000 0.818 312 L CB 2.383 43.985 42.059 -0.761 0.000 1.296 312 L HN 0.546 nan 8.230 nan 0.000 0.427 313 T N 0.019 114.599 114.554 0.042 0.000 2.758 313 T HA 0.215 4.671 4.350 0.176 0.000 0.285 313 T C -0.770 174.090 174.700 0.268 0.000 0.981 313 T CA -0.466 61.714 62.100 0.134 0.000 0.965 313 T CB 1.278 70.213 68.868 0.112 0.000 0.927 313 T HN 0.437 nan 8.240 nan 0.000 0.448 314 D N 2.423 122.987 120.400 0.273 0.000 2.280 314 D HA 0.228 4.974 4.640 0.176 0.000 0.236 314 D C 0.783 177.097 176.300 0.022 0.000 1.082 314 D CA -0.372 53.762 54.000 0.223 0.000 0.834 314 D CB 1.563 42.565 40.800 0.336 0.000 1.100 314 D HN 0.626 nan 8.370 nan 0.000 0.486 315 T N 0.979 115.407 114.554 -0.210 0.000 3.003 315 T HA -0.009 4.447 4.350 0.176 0.000 0.261 315 T C 1.705 176.134 174.700 -0.452 0.000 1.003 315 T CA -0.270 61.539 62.100 -0.484 0.000 0.917 315 T CB 0.143 68.582 68.868 -0.715 0.000 1.084 315 T HN 0.244 nan 8.240 nan 0.000 0.522 316 L N 2.916 123.964 121.223 -0.291 0.000 2.217 316 L HA 0.019 4.465 4.340 0.176 0.000 0.211 316 L C 2.523 179.165 176.870 -0.380 0.000 1.107 316 L CA 1.663 56.353 54.840 -0.249 0.000 0.783 316 L CB -0.847 41.144 42.059 -0.113 0.000 0.919 316 L HN 0.566 nan 8.230 nan 0.000 0.442 317 H N -0.981 117.666 119.070 -0.704 0.000 2.489 317 H HA -0.138 4.524 4.556 0.176 0.000 0.293 317 H C 1.838 176.882 175.328 -0.472 0.000 1.066 317 H CA 1.518 56.902 56.048 -1.108 0.000 1.305 317 H CB -0.669 28.368 29.762 -1.208 0.000 1.386 317 H HN 0.443 nan 8.280 nan 0.000 0.551 318 L N 0.626 121.313 121.223 -0.892 0.000 2.275 318 L HA -0.070 4.376 4.340 0.176 0.000 0.215 318 L C 2.029 178.745 176.870 -0.256 0.000 1.119 318 L CA 1.050 55.583 54.840 -0.512 0.000 0.790 318 L CB -0.208 41.575 42.059 -0.461 0.000 0.919 318 L HN 0.158 nan 8.230 nan 0.000 0.443 319 K N 0.002 120.265 120.400 -0.228 0.000 2.458 319 K HA 0.052 4.478 4.320 0.176 0.000 0.194 319 K C 0.933 177.508 176.600 -0.042 0.000 1.024 319 K CA -0.097 56.125 56.287 -0.107 0.000 1.108 319 K CB 0.129 32.578 32.500 -0.085 0.000 0.846 319 K HN 0.176 nan 8.250 nan 0.000 0.518 320 S N 0.178 115.847 115.700 -0.052 0.000 2.560 320 S HA -0.003 4.573 4.470 0.176 0.000 0.284 320 S C 0.870 175.494 174.600 0.039 0.000 1.327 320 S CA 0.199 58.429 58.200 0.050 0.000 1.055 320 S CB 1.269 64.515 63.200 0.076 0.000 0.868 320 S HN 0.165 nan 8.310 nan 0.000 0.506 321 T N 3.227 117.817 114.554 0.060 0.000 3.010 321 T HA 0.332 4.787 4.350 0.176 0.000 0.253 321 T C 0.159 174.885 174.700 0.043 0.000 0.939 321 T CA -0.149 61.976 62.100 0.042 0.000 0.910 321 T CB -0.242 68.649 68.868 0.038 0.000 1.226 321 T HN 0.591 nan 8.240 nan 0.000 0.508 322 L N 1.583 122.837 121.223 0.052 0.000 2.400 322 L HA 0.653 5.099 4.340 0.176 0.000 0.264 322 L C -0.014 176.889 176.870 0.056 0.000 1.061 322 L CA -1.006 53.861 54.840 0.045 0.000 0.799 322 L CB 1.087 43.167 42.059 0.035 0.000 1.240 322 L HN 0.062 nan 8.230 nan 0.000 0.461 323 E N -0.942 119.287 120.200 0.048 0.000 2.222 323 E HA 0.199 4.655 4.350 0.176 0.000 0.272 323 E C 0.168 176.800 176.600 0.053 0.000 0.982 323 E CA -0.155 56.276 56.400 0.052 0.000 0.842 323 E CB 1.723 31.449 29.700 0.043 0.000 1.144 323 E HN 0.720 nan 8.360 nan 0.000 0.397 324 T N -0.999 113.590 114.554 0.059 0.000 3.054 324 T HA 0.180 4.636 4.350 0.176 0.000 0.259 324 T C 1.429 176.159 174.700 0.049 0.000 1.092 324 T CA 0.518 62.654 62.100 0.058 0.000 1.121 324 T CB 0.116 69.026 68.868 0.069 0.000 0.912 324 T HN 0.769 nan 8.240 nan 0.000 0.489 325 G N 0.466 109.294 108.800 0.046 0.000 2.268 325 G HA2 -0.267 3.798 3.960 0.176 0.000 0.240 325 G HA3 -0.267 3.798 3.960 0.176 0.000 0.240 325 G C 0.360 175.287 174.900 0.045 0.000 1.010 325 G CA -0.118 45.008 45.100 0.044 0.000 0.618 325 G HN 0.765 nan 8.290 nan 0.000 0.516 326 C N 1.844 121.172 119.300 0.046 0.000 2.520 326 C HA 0.805 5.371 4.460 0.176 0.000 0.376 326 C C 1.127 176.143 174.990 0.044 0.000 1.268 326 C CA 0.568 59.613 59.018 0.044 0.000 2.414 326 C CB 0.805 28.569 27.740 0.040 0.000 2.521 326 C HN 0.992 nan 8.230 nan 0.000 0.618 327 T N -1.249 113.332 114.554 0.046 0.000 2.858 327 T HA 0.395 4.851 4.350 0.176 0.000 0.285 327 T C 0.371 175.079 174.700 0.012 0.000 1.052 327 T CA -0.498 61.630 62.100 0.047 0.000 1.009 327 T CB 1.017 69.939 68.868 0.089 0.000 1.241 327 T HN 0.531 nan 8.240 nan 0.000 0.542 328 E N -0.377 119.803 120.200 -0.034 0.000 2.333 328 E HA -0.053 4.402 4.350 0.176 0.000 0.198 328 E C 1.514 177.956 176.600 -0.263 0.000 1.007 328 E CA 1.097 57.400 56.400 -0.163 0.000 0.845 328 E CB -0.172 29.383 29.700 -0.242 0.000 0.766 328 E HN 0.578 nan 8.360 nan 0.000 0.507 329 H N -1.336 117.740 119.070 0.010 0.000 2.654 329 H HA 0.360 5.022 4.556 0.176 0.000 0.264 329 H C 0.163 175.496 175.328 0.008 0.000 0.954 329 H CA 0.259 56.312 56.048 0.008 0.000 1.199 329 H CB 1.122 30.889 29.762 0.009 0.000 1.446 329 H HN 0.095 nan 8.280 nan 0.000 0.516 330 I N 0.489 121.120 120.570 0.102 0.000 2.685 330 I HA 0.162 4.437 4.170 0.176 0.000 0.289 330 I C -1.254 174.889 176.117 0.044 0.000 1.292 330 I CA -0.638 60.702 61.300 0.067 0.000 1.050 330 I CB 1.677 39.719 38.000 0.070 0.000 1.301 330 I HN -0.016 nan 8.210 nan 0.000 0.425 331 C N 8.180 127.498 119.300 0.030 0.000 2.347 331 C HA 0.514 5.080 4.460 0.176 0.000 0.353 331 C C 0.957 175.967 174.990 0.033 0.000 1.273 331 C CA -0.535 58.499 59.018 0.026 0.000 1.861 331 C CB 0.431 28.177 27.740 0.011 0.000 2.420 331 C HN 0.826 nan 8.230 nan 0.000 0.542 332 M N 5.116 124.741 119.600 0.041 0.000 2.560 332 M HA 0.179 4.765 4.480 0.176 0.000 0.297 332 M C 1.843 178.179 176.300 0.060 0.000 1.201 332 M CA 0.157 55.486 55.300 0.048 0.000 0.973 332 M CB -0.525 32.103 32.600 0.047 0.000 1.401 332 M HN 1.020 nan 8.290 nan 0.000 0.497 333 G N 1.550 110.385 108.800 0.059 0.000 2.517 333 G HA2 -0.245 3.821 3.960 0.176 0.000 0.222 333 G HA3 -0.245 3.821 3.960 0.176 0.000 0.222 333 G C 1.466 176.436 174.900 0.117 0.000 1.109 333 G CA 1.640 46.788 45.100 0.080 0.000 0.746 333 G HN 0.595 nan 8.290 nan 0.000 0.576 334 S N -0.483 115.279 115.700 0.103 0.000 2.540 334 S HA 0.361 4.937 4.470 0.176 0.000 0.218 334 S C 0.694 175.371 174.600 0.127 0.000 0.977 334 S CA -0.638 57.639 58.200 0.128 0.000 0.918 334 S CB 0.182 63.438 63.200 0.094 0.000 0.806 334 S HN 0.050 nan 8.310 nan 0.000 0.496 335 I N 2.692 123.326 120.570 0.106 0.000 2.533 335 I HA 0.165 4.441 4.170 0.176 0.000 0.284 335 I C 1.668 177.859 176.117 0.124 0.000 1.109 335 I CA 0.053 61.409 61.300 0.093 0.000 1.412 335 I CB 0.077 38.115 38.000 0.063 0.000 1.396 335 I HN 0.306 nan 8.210 nan 0.000 0.543 336 M N 5.683 125.362 119.600 0.130 0.000 2.117 336 M HA -0.071 4.515 4.480 0.176 0.000 0.262 336 M C 0.449 176.778 176.300 0.048 0.000 1.065 336 M CA 1.797 57.195 55.300 0.164 0.000 1.114 336 M CB 0.059 32.742 32.600 0.139 0.000 1.361 336 M HN 0.432 nan 8.290 nan 0.000 0.408 337 L N 1.017 122.244 121.223 0.007 0.000 2.502 337 L HA 0.313 4.759 4.340 0.176 0.000 0.249 337 L C -1.985 174.892 176.870 0.012 0.000 1.446 337 L CA -1.270 53.554 54.840 -0.027 0.000 0.887 337 L CB 0.140 42.139 42.059 -0.100 0.000 1.126 337 L HN 0.115 nan 8.230 nan 0.000 0.509 351 K N 0.291 120.718 120.400 0.046 0.000 2.097 351 K HA -0.072 4.354 4.320 0.176 0.000 0.205 351 K C 1.004 177.649 176.600 0.075 0.000 1.050 351 K CA 1.851 58.173 56.287 0.058 0.000 0.938 351 K CB -0.217 32.303 32.500 0.033 0.000 0.718 351 K HN 0.468 nan 8.250 nan 0.000 0.442 352 D N 0.938 121.373 120.400 0.058 0.000 2.183 352 D HA -0.113 4.633 4.640 0.176 0.000 0.203 352 D C 1.840 178.187 176.300 0.079 0.000 0.969 352 D CA 1.025 55.064 54.000 0.065 0.000 0.842 352 D CB -0.034 40.791 40.800 0.043 0.000 0.957 352 D HN 0.269 nan 8.370 nan 0.000 0.484 353 Q N -0.332 119.508 119.800 0.066 0.000 2.187 353 Q HA 0.015 4.461 4.340 0.176 0.000 0.199 353 Q C 1.825 177.868 176.000 0.072 0.000 0.957 353 Q CA 0.391 56.229 55.803 0.059 0.000 0.857 353 Q CB 0.053 28.817 28.738 0.043 0.000 0.929 353 Q HN 0.198 nan 8.270 nan 0.000 0.453 354 L N -0.105 121.175 121.223 0.096 0.000 2.131 354 L HA -0.036 4.410 4.340 0.176 0.000 0.206 354 L C 1.925 178.871 176.870 0.127 0.000 1.087 354 L CA 1.348 56.260 54.840 0.119 0.000 0.767 354 L CB -0.386 41.761 42.059 0.147 0.000 0.917 354 L HN 0.095 nan 8.230 nan 0.000 0.441 355 F N 1.118 121.070 119.950 0.003 0.000 2.146 355 F HA -0.026 4.607 4.527 0.176 0.000 0.298 355 F C -0.599 175.194 175.800 -0.012 0.000 1.096 355 F CA 0.942 58.922 58.000 -0.033 0.000 1.275 355 F CB -1.528 37.444 39.000 -0.048 0.000 1.008 355 F HN 0.147 nan 8.300 nan 0.000 0.480 356 P HA -0.186 nan 4.420 nan 0.000 0.215 356 P C 2.091 179.297 177.300 -0.156 0.000 1.153 356 P CA 1.725 64.738 63.100 -0.145 0.000 0.853 356 P CB -0.124 31.569 31.700 -0.012 0.000 0.788 357 L N -1.078 120.104 121.223 -0.069 0.000 2.046 357 L HA -0.180 4.266 4.340 0.176 0.000 0.208 357 L C 2.527 179.397 176.870 0.001 0.000 1.077 357 L CA 1.658 56.494 54.840 -0.006 0.000 0.747 357 L CB -1.264 40.817 42.059 0.036 0.000 0.896 357 L HN -0.046 nan 8.230 nan 0.000 0.432 358 A N 0.180 122.948 122.820 -0.087 0.000 1.883 358 A HA -0.277 4.149 4.320 0.176 0.000 0.217 358 A C 2.397 179.865 177.584 -0.193 0.000 1.186 358 A CA 2.150 54.111 52.037 -0.126 0.000 0.624 358 A CB -0.492 18.241 19.000 -0.445 0.000 0.822 358 A HN 0.341 nan 8.150 nan 0.000 0.444 359 K N -0.332 119.757 120.400 -0.519 0.000 2.026 359 K HA -0.211 4.215 4.320 0.176 0.000 0.208 359 K C 2.121 178.651 176.600 -0.117 0.000 1.048 359 K CA 1.648 57.679 56.287 -0.427 0.000 0.929 359 K CB -0.234 31.885 32.500 -0.635 0.000 0.713 359 K HN 0.604 nan 8.250 nan 0.000 0.439 360 E N -0.237 119.922 120.200 -0.068 0.000 2.065 360 E HA -0.256 4.200 4.350 0.176 0.000 0.201 360 E C 1.905 178.570 176.600 0.108 0.000 1.016 360 E CA 1.742 58.163 56.400 0.035 0.000 0.818 360 E CB -0.259 29.468 29.700 0.044 0.000 0.749 360 E HN 0.379 nan 8.360 nan 0.000 0.453 361 F N 1.162 121.119 119.950 0.011 0.000 2.102 361 F HA -0.161 4.472 4.527 0.178 0.000 0.298 361 F C 2.025 177.873 175.800 0.080 0.000 1.105 361 F CA 1.391 59.428 58.000 0.062 0.000 1.239 361 F CB -0.266 38.786 39.000 0.087 0.000 0.991 361 F HN 0.002 nan 8.300 nan 0.000 0.474 362 L N -0.207 120.993 121.223 -0.038 0.000 2.141 362 L HA -0.178 4.268 4.340 0.176 0.000 0.209 362 L C 2.112 178.978 176.870 -0.007 0.000 1.094 362 L CA 1.141 55.959 54.840 -0.038 0.000 0.763 362 L CB -0.856 41.289 42.059 0.143 0.000 0.908 362 L HN 0.057 nan 8.230 nan 0.000 0.437 363 D N 0.170 120.604 120.400 0.057 0.000 2.104 363 D HA -0.249 4.497 4.640 0.176 0.000 0.194 363 D C 2.239 178.574 176.300 0.058 0.000 0.994 363 D CA 1.665 55.751 54.000 0.143 0.000 0.830 363 D CB -0.231 40.742 40.800 0.287 0.000 0.959 363 D HN 0.524 nan 8.370 nan 0.000 0.452 364 Q N -0.612 119.154 119.800 -0.057 0.000 2.119 364 Q HA -0.214 4.232 4.340 0.176 0.000 0.201 364 Q C 2.230 178.010 176.000 -0.368 0.000 0.972 364 Q CA 1.000 56.730 55.803 -0.120 0.000 0.847 364 Q CB -0.720 27.998 28.738 -0.034 0.000 0.903 364 Q HN 0.376 nan 8.270 nan 0.000 0.433 365 Y N 0.643 120.455 120.300 -0.813 0.000 2.097 365 Y HA -0.280 4.377 4.550 0.177 0.000 0.282 365 Y C 1.609 177.030 175.900 -0.798 0.000 1.152 365 Y CA 1.795 59.165 58.100 -1.217 0.000 1.136 365 Y CB -0.477 37.189 38.460 -1.323 0.000 0.975 365 Y HN 0.117 nan 8.280 nan 0.000 0.498 366 Y N -0.930 118.965 120.300 -0.676 0.000 2.314 366 Y HA -0.165 4.491 4.550 0.177 0.000 0.293 366 Y C 3.041 178.695 175.900 -0.411 0.000 1.129 366 Y CA 1.611 59.309 58.100 -0.669 0.000 1.201 366 Y CB -0.760 37.140 38.460 -0.933 0.000 0.999 366 Y HN 0.168 nan 8.280 nan 0.000 0.541 367 S N -0.410 115.242 115.700 -0.080 0.000 2.370 367 S HA -0.243 4.332 4.470 0.176 0.000 0.226 367 S C 2.388 176.896 174.600 -0.153 0.000 1.033 367 S CA 1.787 59.980 58.200 -0.011 0.000 1.011 367 S CB -0.640 62.553 63.200 -0.011 0.000 0.852 367 S HN 0.637 nan 8.310 nan 0.000 0.457 368 S N 1.791 117.321 115.700 -0.283 0.000 2.399 368 S HA -0.067 4.509 4.470 0.176 0.000 0.231 368 S C 1.629 176.080 174.600 -0.248 0.000 1.022 368 S CA 1.125 59.195 58.200 -0.216 0.000 0.983 368 S CB -0.924 62.178 63.200 -0.163 0.000 0.803 368 S HN 0.794 nan 8.310 nan 0.000 0.480 369 I N -2.140 118.170 120.570 -0.433 0.000 3.812 369 I HA 0.412 4.687 4.170 0.176 0.000 0.319 369 I C 0.055 176.056 176.117 -0.194 0.000 1.353 369 I CA -0.556 60.540 61.300 -0.340 0.000 1.170 369 I CB -0.607 37.083 38.000 -0.517 0.000 1.057 369 I HN 0.003 nan 8.210 nan 0.000 0.411 370 K N 1.733 122.053 120.400 -0.134 0.000 3.077 370 K HA -0.195 4.231 4.320 0.176 0.000 0.264 370 K C 0.286 176.882 176.600 -0.006 0.000 1.008 370 K CA 0.690 56.947 56.287 -0.050 0.000 0.740 370 K CB -1.273 31.204 32.500 -0.038 0.000 1.273 370 K HN 0.613 nan 8.250 nan 0.000 0.477 371 R N 0.190 120.695 120.500 0.008 0.000 2.690 371 R HA 0.163 4.609 4.340 0.176 0.000 0.419 371 R C -0.351 176.032 176.300 0.137 0.000 1.090 371 R CA -0.443 55.709 56.100 0.086 0.000 1.064 371 R CB 0.310 30.683 30.300 0.121 0.000 1.391 371 R HN 0.125 nan 8.270 nan 0.000 0.586 372 F N 0.539 120.491 119.950 0.005 0.000 2.538 372 F HA 0.204 4.837 4.527 0.176 0.000 0.371 372 F C 1.483 177.380 175.800 0.163 0.000 1.087 372 F CA 1.657 59.695 58.000 0.062 0.000 1.250 372 F CB 0.903 39.907 39.000 0.008 0.000 1.110 372 F HN 0.449 nan 8.300 nan 0.000 0.570 373 G N 3.227 111.928 108.800 -0.164 0.000 2.168 373 G HA2 -0.310 3.756 3.960 0.176 0.000 0.263 373 G HA3 -0.310 3.756 3.960 0.176 0.000 0.263 373 G C 0.273 175.119 174.900 -0.091 0.000 0.977 373 G CA 0.458 45.445 45.100 -0.188 0.000 0.659 373 G HN 1.127 nan 8.290 nan 0.000 0.533 374 S N -0.959 114.724 115.700 -0.027 0.000 2.624 374 S HA 0.562 5.138 4.470 0.176 0.000 0.263 374 S C 1.396 175.948 174.600 -0.080 0.000 1.287 374 S CA 0.505 58.691 58.200 -0.023 0.000 0.990 374 S CB 1.731 64.950 63.200 0.031 0.000 0.950 374 S HN 0.495 nan 8.310 nan 0.000 0.561 375 K N 0.789 121.156 120.400 -0.055 0.000 2.032 375 K HA -0.103 4.323 4.320 0.176 0.000 0.209 375 K C 2.253 178.804 176.600 -0.083 0.000 1.048 375 K CA 1.529 57.774 56.287 -0.070 0.000 0.927 375 K CB -1.043 31.434 32.500 -0.039 0.000 0.712 375 K HN 0.754 nan 8.250 nan 0.000 0.441 376 A N 0.409 123.208 122.820 -0.036 0.000 1.940 376 A HA -0.255 4.171 4.320 0.176 0.000 0.219 376 A C 2.103 179.563 177.584 -0.206 0.000 1.176 376 A CA 1.942 53.974 52.037 -0.008 0.000 0.631 376 A CB -1.028 18.051 19.000 0.132 0.000 0.814 376 A HN 0.672 nan 8.150 nan 0.000 0.446 377 H N -1.291 117.421 119.070 -0.598 0.000 2.267 377 H HA -0.151 4.511 4.556 0.176 0.000 0.297 377 H C 2.095 177.046 175.328 -0.628 0.000 1.080 377 H CA 1.623 56.976 56.048 -1.157 0.000 1.278 377 H CB -0.077 29.146 29.762 -0.898 0.000 1.365 377 H HN 0.333 nan 8.280 nan 0.000 0.489 378 M N 0.954 120.296 119.600 -0.431 0.000 2.108 378 M HA -0.168 4.418 4.480 0.176 0.000 0.261 378 M C 1.771 177.944 176.300 -0.211 0.000 1.066 378 M CA 1.217 56.300 55.300 -0.361 0.000 1.107 378 M CB -0.922 31.518 32.600 -0.265 0.000 1.356 378 M HN 0.348 nan 8.290 nan 0.000 0.406 379 D N -0.217 120.090 120.400 -0.155 0.000 2.123 379 D HA -0.176 4.570 4.640 0.176 0.000 0.196 379 D C 2.108 178.376 176.300 -0.053 0.000 0.992 379 D CA 1.327 55.277 54.000 -0.083 0.000 0.833 379 D CB -0.302 40.469 40.800 -0.048 0.000 0.954 379 D HN 0.322 nan 8.370 nan 0.000 0.455 380 R N 0.234 120.697 120.500 -0.062 0.000 2.073 380 R HA -0.064 4.382 4.340 0.176 0.000 0.229 380 R C 2.122 178.434 176.300 0.020 0.000 1.120 380 R CA 0.712 56.824 56.100 0.020 0.000 0.967 380 R CB -0.689 29.679 30.300 0.113 0.000 0.862 380 R HN 0.037 nan 8.270 nan 0.000 0.436 381 L N 1.317 122.522 121.223 -0.031 0.000 2.012 381 L HA -0.152 4.294 4.340 0.176 0.000 0.210 381 L C 2.317 179.232 176.870 0.074 0.000 1.073 381 L CA 2.335 57.196 54.840 0.035 0.000 0.748 381 L CB -0.882 41.138 42.059 -0.066 0.000 0.891 381 L HN 0.376 nan 8.230 nan 0.000 0.431 382 E N -0.183 120.005 120.200 -0.019 0.000 2.070 382 E HA -0.302 4.153 4.350 0.176 0.000 0.197 382 E C 2.157 178.734 176.600 -0.037 0.000 1.004 382 E CA 2.024 58.394 56.400 -0.049 0.000 0.805 382 E CB -0.320 29.340 29.700 -0.066 0.000 0.744 382 E HN 0.566 nan 8.360 nan 0.000 0.451 383 E N -0.575 119.620 120.200 -0.008 0.000 2.051 383 E HA -0.171 4.284 4.350 0.176 0.000 0.192 383 E C 2.093 178.705 176.600 0.020 0.000 0.991 383 E CA 1.599 58.005 56.400 0.010 0.000 0.799 383 E CB -0.047 29.673 29.700 0.034 0.000 0.748 383 E HN 0.238 nan 8.360 nan 0.000 0.449 384 V N 2.111 122.044 119.914 0.032 0.000 2.343 384 V HA -0.264 3.962 4.120 0.176 0.000 0.247 384 V C 2.477 178.563 176.094 -0.014 0.000 1.051 384 V CA 1.917 64.211 62.300 -0.009 0.000 1.036 384 V CB -0.765 30.977 31.823 -0.136 0.000 0.654 384 V HN 0.442 nan 8.190 nan 0.000 0.451 385 N N 0.436 119.132 118.700 -0.006 0.000 2.104 385 N HA -0.221 4.625 4.740 0.176 0.000 0.190 385 N C 1.907 177.298 175.510 -0.197 0.000 1.024 385 N CA 1.672 54.553 53.050 -0.281 0.000 0.853 385 N CB -0.062 38.043 38.487 -0.637 0.000 1.008 385 N HN 0.493 nan 8.380 nan 0.000 0.424 386 K N 0.602 120.931 120.400 -0.118 0.000 2.097 386 K HA -0.135 4.291 4.320 0.176 0.000 0.206 386 K C 1.925 178.504 176.600 -0.034 0.000 1.049 386 K CA 0.954 57.194 56.287 -0.078 0.000 0.933 386 K CB -0.090 32.378 32.500 -0.052 0.000 0.717 386 K HN 0.338 nan 8.250 nan 0.000 0.442 387 E N 0.960 121.160 120.200 0.001 0.000 2.106 387 E HA -0.142 4.314 4.350 0.176 0.000 0.192 387 E C 1.908 178.541 176.600 0.057 0.000 0.984 387 E CA 0.759 57.187 56.400 0.047 0.000 0.806 387 E CB 0.086 29.848 29.700 0.104 0.000 0.750 387 E HN 0.224 nan 8.360 nan 0.000 0.458 388 I N 0.936 121.534 120.570 0.046 0.000 2.163 388 I HA -0.204 4.072 4.170 0.176 0.000 0.240 388 I C 2.510 178.636 176.117 0.015 0.000 1.081 388 I CA 0.827 62.164 61.300 0.062 0.000 1.353 388 I CB -0.229 37.817 38.000 0.077 0.000 1.054 388 I HN 0.081 nan 8.210 nan 0.000 0.407 389 E N 0.452 120.630 120.200 -0.036 0.000 2.160 389 E HA -0.224 4.232 4.350 0.176 0.000 0.195 389 E C 2.310 178.897 176.600 -0.022 0.000 0.991 389 E CA 1.739 58.112 56.400 -0.044 0.000 0.810 389 E CB -0.093 29.557 29.700 -0.083 0.000 0.742 389 E HN 0.425 nan 8.360 nan 0.000 0.466 390 S N -0.493 115.199 115.700 -0.013 0.000 2.404 390 S HA -0.066 4.510 4.470 0.176 0.000 0.223 390 S C 2.051 176.655 174.600 0.007 0.000 1.040 390 S CA 1.658 59.855 58.200 -0.005 0.000 0.957 390 S CB -0.064 63.133 63.200 -0.004 0.000 0.826 390 S HN 0.309 nan 8.310 nan 0.000 0.491 391 T N -1.456 113.110 114.554 0.020 0.000 3.022 391 T HA 0.235 4.691 4.350 0.176 0.000 0.250 391 T C 1.168 175.885 174.700 0.028 0.000 1.060 391 T CA 1.174 63.289 62.100 0.025 0.000 1.013 391 T CB -0.215 68.674 68.868 0.035 0.000 0.982 391 T HN 1.316 nan 8.240 nan 0.000 0.508 392 S N -1.008 114.715 115.700 0.037 0.000 2.929 392 S HA -0.203 4.373 4.470 0.176 0.000 0.271 392 S C 0.300 174.941 174.600 0.068 0.000 1.295 392 S CA 1.470 59.696 58.200 0.044 0.000 1.277 392 S CB -2.784 60.431 63.200 0.025 0.000 1.557 392 S HN 1.146 nan 8.310 nan 0.000 0.666 393 T N -0.209 114.400 114.554 0.091 0.000 2.647 393 T HA 0.717 5.173 4.350 0.176 0.000 0.295 393 T C -1.507 173.340 174.700 0.244 0.000 1.126 393 T CA -0.057 62.124 62.100 0.135 0.000 1.040 393 T CB 1.346 70.224 68.868 0.017 0.000 1.472 393 T HN 1.404 nan 8.240 nan 0.000 0.500 394 Y N -0.656 119.651 120.300 0.010 0.000 2.670 394 Y HA 0.806 5.463 4.550 0.179 0.000 0.334 394 Y C -1.471 174.441 175.900 0.020 0.000 1.185 394 Y CA -1.264 56.853 58.100 0.028 0.000 1.053 394 Y CB 1.087 39.584 38.460 0.061 0.000 1.298 394 Y HN 0.390 nan 8.280 nan 0.000 0.459 395 Q N 2.328 122.151 119.800 0.038 0.000 2.312 395 Q HA 0.472 4.918 4.340 0.176 0.000 0.263 395 Q C -1.000 175.017 176.000 0.029 0.000 0.995 395 Q CA -0.838 54.935 55.803 -0.051 0.000 0.853 395 Q CB 2.985 31.731 28.738 0.014 0.000 1.300 395 Q HN 0.790 nan 8.270 nan 0.000 0.448 396 L N 2.234 123.438 121.223 -0.032 0.000 2.397 396 L HA 0.195 4.641 4.340 0.176 0.000 0.271 396 L C 0.794 177.685 176.870 0.035 0.000 1.148 396 L CA -0.434 54.432 54.840 0.043 0.000 0.825 396 L CB 0.295 42.356 42.059 0.003 0.000 1.117 396 L HN 0.203 nan 8.230 nan 0.000 0.456 397 K N 1.844 122.266 120.400 0.036 0.000 2.380 397 K HA -0.009 4.417 4.320 0.176 0.000 0.267 397 K C 0.502 177.084 176.600 -0.030 0.000 0.990 397 K CA -0.219 56.069 56.287 0.001 0.000 0.946 397 K CB 0.597 33.087 32.500 -0.017 0.000 0.937 397 K HN 0.470 nan 8.250 nan 0.000 0.491 398 D N 0.966 121.352 120.400 -0.023 0.000 2.133 398 D HA -0.185 4.561 4.640 0.176 0.000 0.192 398 D C 1.740 178.022 176.300 -0.030 0.000 1.001 398 D CA 2.332 56.312 54.000 -0.032 0.000 0.844 398 D CB -0.331 40.457 40.800 -0.020 0.000 0.944 398 D HN 0.751 nan 8.370 nan 0.000 0.447 399 T N -0.988 113.549 114.554 -0.027 0.000 2.746 399 T HA -0.163 4.293 4.350 0.176 0.000 0.267 399 T C 1.810 176.482 174.700 -0.047 0.000 1.039 399 T CA 1.325 63.426 62.100 0.002 0.000 1.142 399 T CB -0.457 68.431 68.868 0.034 0.000 0.866 399 T HN 0.240 nan 8.240 nan 0.000 0.444 400 E N 0.895 120.957 120.200 -0.229 0.000 2.077 400 E HA -0.014 4.442 4.350 0.176 0.000 0.193 400 E C 2.112 178.784 176.600 0.120 0.000 0.989 400 E CA 0.950 57.233 56.400 -0.194 0.000 0.800 400 E CB -0.325 29.300 29.700 -0.124 0.000 0.746 400 E HN 0.309 nan 8.360 nan 0.000 0.452 401 L N 1.025 122.248 121.223 -0.001 0.000 2.017 401 L HA -0.180 4.266 4.340 0.176 0.000 0.208 401 L C 2.078 178.926 176.870 -0.037 0.000 1.073 401 L CA 1.598 56.387 54.840 -0.085 0.000 0.745 401 L CB -0.212 41.754 42.059 -0.155 0.000 0.894 401 L HN 0.109 nan 8.230 nan 0.000 0.432 402 I N -1.863 118.717 120.570 0.016 0.000 2.179 402 I HA -0.337 3.939 4.170 0.176 0.000 0.242 402 I C 2.362 178.585 176.117 0.177 0.000 1.088 402 I CA 1.641 62.970 61.300 0.049 0.000 1.357 402 I CB -0.510 37.512 38.000 0.038 0.000 1.051 402 I HN 0.341 nan 8.210 nan 0.000 0.409 403 Y N 1.658 122.054 120.300 0.160 0.000 2.128 403 Y HA -0.234 4.421 4.550 0.176 0.000 0.284 403 Y C 2.398 178.505 175.900 0.344 0.000 1.154 403 Y CA 1.791 60.071 58.100 0.300 0.000 1.149 403 Y CB -0.740 37.910 38.460 0.316 0.000 0.976 403 Y HN 0.095 nan 8.280 nan 0.000 0.505 404 G N -0.323 108.699 108.800 0.371 0.000 2.402 404 G HA2 -0.237 3.829 3.960 0.176 0.000 0.216 404 G HA3 -0.237 3.829 3.960 0.176 0.000 0.216 404 G C 1.796 176.675 174.900 -0.035 0.000 1.162 404 G CA 0.935 46.143 45.100 0.181 0.000 0.777 404 G HN 0.615 nan 8.290 nan 0.000 0.539 405 A N 0.895 123.680 122.820 -0.058 0.000 1.877 405 A HA 0.002 4.427 4.320 0.176 0.000 0.216 405 A C 2.297 179.916 177.584 0.059 0.000 1.186 405 A CA 1.959 53.949 52.037 -0.078 0.000 0.620 405 A CB -0.383 18.577 19.000 -0.068 0.000 0.822 405 A HN 0.360 nan 8.150 nan 0.000 0.443 406 K N -1.402 119.081 120.400 0.138 0.000 2.097 406 K HA -0.182 4.244 4.320 0.176 0.000 0.206 406 K C 1.914 178.592 176.600 0.129 0.000 1.049 406 K CA 1.795 58.242 56.287 0.266 0.000 0.933 406 K CB -0.288 32.402 32.500 0.317 0.000 0.717 406 K HN 0.661 nan 8.250 nan 0.000 0.442 407 H N -0.306 118.688 119.070 -0.126 0.000 2.470 407 H HA 0.084 4.746 4.556 0.176 0.000 0.289 407 H C 1.864 177.061 175.328 -0.220 0.000 1.033 407 H CA 0.998 56.861 56.048 -0.308 0.000 1.331 407 H CB 0.015 29.491 29.762 -0.476 0.000 1.414 407 H HN 0.235 nan 8.280 nan 0.000 0.545 408 A N 0.481 123.220 122.820 -0.135 0.000 1.908 408 A HA -0.220 4.206 4.320 0.176 0.000 0.218 408 A C 2.029 179.602 177.584 -0.019 0.000 1.181 408 A CA 1.600 53.436 52.037 -0.335 0.000 0.627 408 A CB -0.913 17.483 19.000 -1.006 0.000 0.818 408 A HN 0.608 nan 8.150 nan 0.000 0.445 409 W N 0.695 121.976 121.300 -0.032 0.000 2.407 409 W HA -0.070 4.698 4.660 0.180 0.000 0.305 409 W C 2.352 178.825 176.519 -0.077 0.000 1.196 409 W CA 1.349 58.720 57.345 0.044 0.000 1.311 409 W CB -0.761 28.729 29.460 0.050 0.000 1.135 409 W HN 0.351 nan 8.180 nan 0.000 0.514 410 R N 0.297 120.701 120.500 -0.159 0.000 2.133 410 R HA -0.216 4.230 4.340 0.176 0.000 0.247 410 R C 1.494 177.606 176.300 -0.315 0.000 1.151 410 R CA 1.922 57.679 56.100 -0.570 0.000 0.971 410 R CB -0.534 29.009 30.300 -1.261 0.000 0.866 410 R HN 0.118 nan 8.270 nan 0.000 0.447 411 N N 0.038 118.625 118.700 -0.187 0.000 2.398 411 N HA 0.024 4.870 4.740 0.176 0.000 0.188 411 N C -0.411 175.063 175.510 -0.061 0.000 1.122 411 N CA 0.585 53.558 53.050 -0.128 0.000 0.866 411 N CB 0.501 38.925 38.487 -0.105 0.000 0.970 411 N HN 0.155 nan 8.380 nan 0.000 0.462 412 A N 1.074 123.912 122.820 0.031 0.000 2.545 412 A HA 0.152 4.578 4.320 0.176 0.000 0.297 412 A C 1.409 179.002 177.584 0.014 0.000 1.340 412 A CA -0.161 51.910 52.037 0.057 0.000 1.016 412 A CB -0.244 18.859 19.000 0.171 0.000 1.122 412 A HN 0.276 nan 8.150 nan 0.000 0.537 413 S N 2.610 118.277 115.700 -0.055 0.000 2.474 413 S HA -0.120 4.456 4.470 0.176 0.000 0.235 413 S C 1.391 175.966 174.600 -0.041 0.000 0.997 413 S CA 0.954 59.120 58.200 -0.057 0.000 0.949 413 S CB -0.165 62.963 63.200 -0.120 0.000 0.766 413 S HN 0.753 nan 8.310 nan 0.000 0.517 414 R N -0.435 120.015 120.500 -0.084 0.000 2.334 414 R HA 0.290 4.736 4.340 0.176 0.000 0.216 414 R C -0.026 176.299 176.300 0.041 0.000 0.905 414 R CA -0.067 55.993 56.100 -0.067 0.000 1.064 414 R CB 0.019 30.084 30.300 -0.393 0.000 1.046 414 R HN 0.409 nan 8.270 nan 0.000 0.508 415 C N 0.731 120.052 119.300 0.035 0.000 2.265 415 C HA 0.215 4.781 4.460 0.176 0.000 0.332 415 C C 1.979 176.968 174.990 -0.002 0.000 1.248 415 C CA -0.666 58.403 59.018 0.086 0.000 1.727 415 C CB 0.436 28.305 27.740 0.215 0.000 2.348 415 C HN 0.291 nan 8.230 nan 0.000 0.519 416 V N 5.945 125.806 119.914 -0.089 0.000 2.970 416 V HA 0.130 4.356 4.120 0.176 0.000 0.260 416 V C 1.869 178.021 176.094 0.096 0.000 1.100 416 V CA 2.411 64.577 62.300 -0.223 0.000 1.122 416 V CB -0.206 31.502 31.823 -0.191 0.000 0.721 416 V HN 1.068 nan 8.190 nan 0.000 0.483 417 G N -0.879 108.004 108.800 0.139 0.000 3.371 417 G HA2 0.039 4.105 3.960 0.176 0.000 0.248 417 G HA3 0.039 4.105 3.960 0.176 0.000 0.248 417 G C 1.262 176.215 174.900 0.088 0.000 1.161 417 G CA -0.326 44.859 45.100 0.143 0.000 0.796 417 G HN 0.435 nan 8.290 nan 0.000 0.539 418 R N -0.208 120.294 120.500 0.003 0.000 2.328 418 R HA 0.132 4.578 4.340 0.176 0.000 0.207 418 R C 2.049 177.841 176.300 -0.848 0.000 1.056 418 R CA 0.085 55.902 56.100 -0.472 0.000 1.016 418 R CB -0.167 29.972 30.300 -0.269 0.000 0.872 418 R HN 0.457 nan 8.270 nan 0.000 0.471 419 I N 1.027 121.215 120.570 -0.637 0.000 2.423 419 I HA -0.286 3.990 4.170 0.176 0.000 0.254 419 I C 1.393 177.297 176.117 -0.355 0.000 1.151 419 I CA 1.382 62.383 61.300 -0.498 0.000 1.421 419 I CB 0.155 38.099 38.000 -0.093 0.000 1.079 419 I HN 0.191 nan 8.210 nan 0.000 0.431 420 Q N 0.555 120.110 119.800 -0.407 0.000 2.444 420 Q HA -0.123 4.323 4.340 0.176 0.000 0.206 420 Q C 1.644 177.134 176.000 -0.850 0.000 0.948 420 Q CA 0.621 56.182 55.803 -0.403 0.000 0.946 420 Q CB -0.263 28.414 28.738 -0.102 0.000 1.027 420 Q HN 0.812 nan 8.270 nan 0.000 0.513 421 W N 1.022 121.581 121.300 -1.235 0.000 2.325 421 W HA -0.199 4.567 4.660 0.175 0.000 0.299 421 W C 1.348 177.511 176.519 -0.593 0.000 1.215 421 W CA 1.525 57.993 57.345 -1.462 0.000 1.244 421 W CB -1.182 27.609 29.460 -1.115 0.000 1.140 421 W HN 0.173 nan 8.180 nan 0.000 0.523 422 S N 0.775 115.543 115.700 -1.554 0.000 2.527 422 S HA 0.027 4.603 4.470 0.176 0.000 0.222 422 S C 0.782 175.054 174.600 -0.545 0.000 0.985 422 S CA 0.207 57.595 58.200 -1.353 0.000 0.921 422 S CB -0.439 61.794 63.200 -1.612 0.000 0.772 422 S HN 0.256 nan 8.310 nan 0.000 0.529 423 K N 1.481 121.668 120.400 -0.354 0.000 2.291 423 K HA 0.480 4.906 4.320 0.176 0.000 0.242 423 K C -1.355 175.296 176.600 0.086 0.000 1.098 423 K CA -0.362 55.863 56.287 -0.104 0.000 1.036 423 K CB 0.740 33.209 32.500 -0.051 0.000 1.655 423 K HN 0.241 nan 8.250 nan 0.000 0.432 424 L N 1.616 122.884 121.223 0.074 0.000 2.438 424 L HA 0.286 4.732 4.340 0.176 0.000 0.270 424 L C -1.215 175.641 176.870 -0.023 0.000 0.972 424 L CA -0.557 54.370 54.840 0.145 0.000 0.831 424 L CB 1.960 44.192 42.059 0.288 0.000 1.273 424 L HN 0.275 nan 8.230 nan 0.000 0.405 425 Q N 3.277 123.015 119.800 -0.104 0.000 2.294 425 Q HA 0.533 4.979 4.340 0.176 0.000 0.257 425 Q C -1.549 174.124 176.000 -0.545 0.000 0.955 425 Q CA -0.147 55.436 55.803 -0.367 0.000 0.936 425 Q CB 1.295 29.752 28.738 -0.469 0.000 1.188 425 Q HN 0.556 nan 8.270 nan 0.000 0.420 426 V N 6.173 125.778 119.914 -0.515 0.000 2.350 426 V HA 0.387 4.612 4.120 0.176 0.000 0.276 426 V C -0.701 175.062 176.094 -0.552 0.000 1.028 426 V CA -0.506 61.548 62.300 -0.409 0.000 0.860 426 V CB 0.369 32.061 31.823 -0.217 0.000 0.990 426 V HN 0.641 nan 8.190 nan 0.000 0.453 427 F N 2.758 122.592 119.950 -0.194 0.000 2.361 427 F HA 0.342 4.979 4.527 0.184 0.000 0.364 427 F C 0.579 176.227 175.800 -0.254 0.000 1.120 427 F CA -1.056 56.828 58.000 -0.193 0.000 1.102 427 F CB 0.890 39.795 39.000 -0.159 0.000 1.183 427 F HN 0.421 nan 8.300 nan 0.000 0.476 428 D N 3.422 123.794 120.400 -0.047 0.000 2.359 428 D HA 0.279 5.024 4.640 0.176 0.000 0.250 428 D C 0.312 176.448 176.300 -0.273 0.000 1.264 428 D CA 0.173 54.074 54.000 -0.165 0.000 0.911 428 D CB 0.919 41.659 40.800 -0.099 0.000 1.056 428 D HN 0.605 nan 8.370 nan 0.000 0.499 429 A N 4.586 127.046 122.820 -0.600 0.000 2.610 429 A HA 0.149 4.575 4.320 0.176 0.000 0.286 429 A C 1.650 178.895 177.584 -0.565 0.000 1.306 429 A CA -0.384 51.019 52.037 -1.057 0.000 0.942 429 A CB -0.034 17.758 19.000 -2.014 0.000 1.112 429 A HN 0.527 nan 8.150 nan 0.000 0.527 430 R N 0.437 120.757 120.500 -0.302 0.000 2.280 430 R HA -0.079 4.367 4.340 0.176 0.000 0.207 430 R C 0.707 176.950 176.300 -0.096 0.000 1.043 430 R CA 1.182 57.178 56.100 -0.173 0.000 1.006 430 R CB 0.042 30.294 30.300 -0.080 0.000 0.885 430 R HN 0.673 nan 8.270 nan 0.000 0.467 431 D N -0.742 119.632 120.400 -0.044 0.000 2.340 431 D HA -0.059 4.687 4.640 0.176 0.000 0.220 431 D C 0.335 176.712 176.300 0.128 0.000 1.039 431 D CA -0.253 53.780 54.000 0.055 0.000 0.866 431 D CB -0.464 40.392 40.800 0.094 0.000 0.913 431 D HN -0.011 nan 8.370 nan 0.000 0.523 432 C N 1.286 120.653 119.300 0.112 0.000 2.662 432 C HA 0.437 5.003 4.460 0.176 0.000 0.420 432 C C 1.821 177.005 174.990 0.324 0.000 1.314 432 C CA 0.814 59.999 59.018 0.279 0.000 1.963 432 C CB -0.021 27.930 27.740 0.352 0.000 2.686 432 C HN 0.575 nan 8.230 nan 0.000 0.609 433 T N 0.173 114.951 114.554 0.374 0.000 3.009 433 T HA 0.261 4.717 4.350 0.176 0.000 0.267 433 T C 0.278 175.160 174.700 0.303 0.000 0.942 433 T CA 0.582 62.912 62.100 0.384 0.000 0.883 433 T CB -0.134 68.880 68.868 0.243 0.000 1.192 433 T HN 0.893 nan 8.240 nan 0.000 0.524 434 T N -1.654 113.070 114.554 0.283 0.000 2.883 434 T HA 0.806 5.262 4.350 0.176 0.000 0.296 434 T C 1.333 176.149 174.700 0.193 0.000 1.117 434 T CA -0.219 62.002 62.100 0.203 0.000 1.006 434 T CB 1.530 70.532 68.868 0.222 0.000 1.191 434 T HN 0.080 nan 8.240 nan 0.000 0.508 435 A N -0.003 122.911 122.820 0.158 0.000 1.969 435 A HA 0.011 4.437 4.320 0.176 0.000 0.218 435 A C 1.923 179.502 177.584 -0.007 0.000 1.169 435 A CA 1.581 53.681 52.037 0.106 0.000 0.635 435 A CB -1.351 17.768 19.000 0.198 0.000 0.810 435 A HN 1.003 nan 8.150 nan 0.000 0.445 436 H N -0.597 118.574 119.070 0.169 0.000 2.321 436 H HA -0.025 5.198 4.556 1.112 0.000 0.300 436 H C 2.408 177.763 175.328 0.045 0.000 1.087 436 H CA 1.698 57.794 56.048 0.080 0.000 1.319 436 H CB -0.336 29.552 29.762 0.210 0.000 1.379 436 H HN 0.475 nan 8.280 nan 0.000 0.501 437 G N 0.182 109.129 108.800 0.244 0.000 2.469 437 G HA2 -0.308 3.758 3.960 0.176 0.000 0.219 437 G HA3 -0.308 3.758 3.960 0.176 0.000 0.219 437 G C 1.646 176.739 174.900 0.322 0.000 1.150 437 G CA 1.210 46.465 45.100 0.260 0.000 0.763 437 G HN 0.293 nan 8.290 nan 0.000 0.561 438 M N -0.630 119.101 119.600 0.218 0.000 2.086 438 M HA 0.033 4.618 4.480 0.176 0.000 0.261 438 M C 2.322 178.668 176.300 0.076 0.000 1.067 438 M CA 1.366 56.734 55.300 0.113 0.000 1.116 438 M CB -0.395 32.039 32.600 -0.276 0.000 1.348 438 M HN 0.319 nan 8.290 nan 0.000 0.407 439 F N 1.182 120.914 119.950 -0.363 0.000 2.126 439 F HA -0.294 4.436 4.527 0.338 0.000 0.299 439 F C 2.122 177.812 175.800 -0.185 0.000 1.096 439 F CA 1.879 59.593 58.000 -0.477 0.000 1.255 439 F CB -0.261 38.020 39.000 -1.199 0.000 0.997 439 F HN 0.164 nan 8.300 nan 0.000 0.479 440 N N -0.194 118.337 118.700 -0.280 0.000 2.069 440 N HA -0.273 4.573 4.740 0.176 0.000 0.191 440 N C 1.804 177.152 175.510 -0.270 0.000 1.031 440 N CA 2.127 54.979 53.050 -0.331 0.000 0.852 440 N CB -0.832 37.535 38.487 -0.200 0.000 1.018 440 N HN 0.492 nan 8.380 nan 0.000 0.423 441 Y N 0.240 120.491 120.300 -0.080 0.000 2.165 441 Y HA -0.113 4.538 4.550 0.169 0.000 0.286 441 Y C 2.183 178.040 175.900 -0.073 0.000 1.155 441 Y CA 1.184 59.253 58.100 -0.052 0.000 1.164 441 Y CB -0.080 38.453 38.460 0.121 0.000 0.978 441 Y HN 0.133 nan 8.280 nan 0.000 0.513 442 I N -1.658 118.979 120.570 0.112 0.000 2.286 442 I HA -0.308 3.968 4.170 0.176 0.000 0.245 442 I C 2.247 178.303 176.117 -0.102 0.000 1.104 442 I CA 0.696 62.011 61.300 0.024 0.000 1.397 442 I CB -0.428 37.587 38.000 0.025 0.000 1.072 442 I HN 0.278 nan 8.210 nan 0.000 0.417 443 C N 0.844 119.966 119.300 -0.297 0.000 2.413 443 C HA -0.157 4.409 4.460 0.176 0.000 0.276 443 C C 2.589 177.482 174.990 -0.161 0.000 1.248 443 C CA 0.867 59.713 59.018 -0.288 0.000 1.742 443 C CB -1.496 25.954 27.740 -0.483 0.000 2.017 443 C HN 0.551 nan 8.230 nan 0.000 0.481 444 N N -0.099 118.486 118.700 -0.191 0.000 2.120 444 N HA -0.128 4.718 4.740 0.176 0.000 0.188 444 N C 1.444 176.861 175.510 -0.156 0.000 1.024 444 N CA 1.468 54.398 53.050 -0.200 0.000 0.852 444 N CB -0.809 37.486 38.487 -0.320 0.000 1.003 444 N HN 0.777 nan 8.380 nan 0.000 0.424 445 H N 0.317 119.244 119.070 -0.238 0.000 2.293 445 H HA -0.024 4.638 4.556 0.177 0.000 0.300 445 H C 1.866 177.235 175.328 0.068 0.000 1.082 445 H CA 1.755 57.747 56.048 -0.094 0.000 1.308 445 H CB -0.023 29.739 29.762 -0.001 0.000 1.375 445 H HN -0.104 nan 8.280 nan 0.000 0.495 446 V N 1.063 121.144 119.914 0.278 0.000 2.282 446 V HA -0.304 3.921 4.120 0.176 0.000 0.249 446 V C 2.525 178.701 176.094 0.138 0.000 1.057 446 V CA 2.387 64.799 62.300 0.186 0.000 1.032 446 V CB -0.580 31.271 31.823 0.047 0.000 0.645 446 V HN 0.460 nan 8.190 nan 0.000 0.447 447 K N -1.102 119.348 120.400 0.083 0.000 2.062 447 K HA -0.218 4.208 4.320 0.176 0.000 0.205 447 K C 2.276 178.926 176.600 0.083 0.000 1.051 447 K CA 1.709 58.030 56.287 0.056 0.000 0.941 447 K CB -0.357 32.153 32.500 0.016 0.000 0.719 447 K HN 0.503 nan 8.250 nan 0.000 0.440 448 Y N 0.995 121.305 120.300 0.017 0.000 2.097 448 Y HA -0.267 4.388 4.550 0.175 0.000 0.282 448 Y C 2.042 177.999 175.900 0.094 0.000 1.152 448 Y CA 2.028 60.167 58.100 0.066 0.000 1.136 448 Y CB -0.523 38.013 38.460 0.126 0.000 0.975 448 Y HN 0.176 nan 8.280 nan 0.000 0.498 449 A N -0.702 122.241 122.820 0.205 0.000 1.902 449 A HA -0.181 4.245 4.320 0.176 0.000 0.217 449 A C 2.218 179.840 177.584 0.063 0.000 1.181 449 A CA 2.322 54.446 52.037 0.145 0.000 0.623 449 A CB -1.361 17.801 19.000 0.269 0.000 0.818 449 A HN 0.537 nan 8.150 nan 0.000 0.443 450 T N -0.269 114.329 114.554 0.075 0.000 2.674 450 T HA -0.134 4.322 4.350 0.176 0.000 0.265 450 T C 1.135 175.833 174.700 -0.003 0.000 1.039 450 T CA 1.446 63.580 62.100 0.057 0.000 1.150 450 T CB -0.437 68.468 68.868 0.062 0.000 0.864 450 T HN 0.676 nan 8.240 nan 0.000 0.427 451 N N 1.074 119.744 118.700 -0.051 0.000 2.727 451 N HA -0.235 4.611 4.740 0.176 0.000 0.249 451 N C -0.287 175.191 175.510 -0.053 0.000 1.048 451 N CA 0.892 53.886 53.050 -0.092 0.000 0.714 451 N CB -1.621 36.765 38.487 -0.169 0.000 0.959 451 N HN 0.628 nan 8.380 nan 0.000 0.544 452 K N -2.804 117.579 120.400 -0.029 0.000 3.088 452 K HA -0.221 4.205 4.320 0.176 0.000 0.273 452 K C 1.047 177.631 176.600 -0.027 0.000 1.111 452 K CA 1.046 57.319 56.287 -0.024 0.000 0.803 452 K CB -1.778 30.705 32.500 -0.028 0.000 1.226 452 K HN 0.979 nan 8.250 nan 0.000 0.485 453 G N 0.603 109.393 108.800 -0.016 0.000 2.278 453 G HA2 -0.307 3.759 3.960 0.176 0.000 0.210 453 G HA3 -0.307 3.759 3.960 0.176 0.000 0.210 453 G C -0.168 174.718 174.900 -0.022 0.000 1.000 453 G CA 0.073 45.165 45.100 -0.014 0.000 0.635 453 G HN 0.446 nan 8.290 nan 0.000 0.495 454 N N 1.552 120.225 118.700 -0.045 0.000 2.868 454 N HA 0.421 5.267 4.740 0.176 0.000 0.252 454 N C 0.549 176.025 175.510 -0.058 0.000 1.130 454 N CA -0.396 52.609 53.050 -0.074 0.000 1.026 454 N CB -0.146 38.292 38.487 -0.081 0.000 1.335 454 N HN 0.362 nan 8.380 nan 0.000 0.516 455 L N 2.279 123.494 121.223 -0.015 0.000 2.439 455 L HA 0.285 4.731 4.340 0.176 0.000 0.269 455 L C 0.581 177.558 176.870 0.179 0.000 1.179 455 L CA -0.001 54.906 54.840 0.111 0.000 0.828 455 L CB 0.548 42.769 42.059 0.269 0.000 1.106 455 L HN 0.345 nan 8.230 nan 0.000 0.467 456 R N 1.151 121.757 120.500 0.176 0.000 2.575 456 R HA 0.349 4.795 4.340 0.176 0.000 0.293 456 R C -0.813 175.642 176.300 0.259 0.000 0.983 456 R CA -0.645 55.583 56.100 0.212 0.000 0.887 456 R CB 2.136 32.428 30.300 -0.014 0.000 1.184 456 R HN 0.566 nan 8.270 nan 0.000 0.445 457 S N 1.389 117.251 115.700 0.269 0.000 2.560 457 S HA 0.425 5.000 4.470 0.176 0.000 0.284 457 S C -0.286 174.373 174.600 0.099 0.000 1.327 457 S CA -0.107 58.158 58.200 0.108 0.000 1.055 457 S CB 1.079 64.326 63.200 0.079 0.000 0.868 457 S HN 0.679 nan 8.310 nan 0.000 0.506 458 A N 2.687 125.517 122.820 0.016 0.000 2.594 458 A HA 0.798 5.224 4.320 0.176 0.000 0.295 458 A C -1.186 176.411 177.584 0.020 0.000 1.071 458 A CA -0.633 51.347 52.037 -0.095 0.000 0.685 458 A CB 1.143 19.992 19.000 -0.251 0.000 1.285 458 A HN 0.790 nan 8.150 nan 0.000 0.405 459 I N 0.542 121.123 120.570 0.018 0.000 2.730 459 I HA 0.706 4.982 4.170 0.176 0.000 0.298 459 I C -1.002 175.240 176.117 0.209 0.000 1.089 459 I CA -0.187 61.248 61.300 0.224 0.000 1.041 459 I CB 2.463 40.543 38.000 0.132 0.000 1.235 459 I HN 0.610 nan 8.210 nan 0.000 0.423 460 T N 7.596 122.312 114.554 0.270 0.000 2.812 460 T HA 0.569 5.025 4.350 0.176 0.000 0.282 460 T C -0.466 174.085 174.700 -0.249 0.000 0.990 460 T CA -0.254 61.862 62.100 0.028 0.000 0.960 460 T CB 1.088 69.986 68.868 0.050 0.000 0.948 460 T HN 0.300 nan 8.240 nan 0.000 0.438 461 I N 4.012 124.319 120.570 -0.439 0.000 2.390 461 I HA 0.397 4.673 4.170 0.176 0.000 0.283 461 I C -0.528 175.258 176.117 -0.551 0.000 1.016 461 I CA -0.671 60.395 61.300 -0.390 0.000 1.151 461 I CB 0.666 38.413 38.000 -0.421 0.000 1.293 461 I HN 0.475 nan 8.210 nan 0.000 0.458 462 F N 6.684 126.554 119.950 -0.133 0.000 2.375 462 F HA 0.406 5.043 4.527 0.184 0.000 0.313 462 F C -1.824 173.820 175.800 -0.262 0.000 1.176 462 F CA -2.166 55.663 58.000 -0.286 0.000 1.142 462 F CB -0.184 38.668 39.000 -0.247 0.000 1.275 462 F HN 0.219 nan 8.300 nan 0.000 0.544 463 P HA -0.008 nan 4.420 nan 0.000 0.267 463 P C -0.979 176.242 177.300 -0.131 0.000 1.200 463 P CA -0.220 62.696 63.100 -0.307 0.000 0.772 463 P CB 0.270 31.645 31.700 -0.543 0.000 0.855 464 Q N 2.706 122.383 119.800 -0.204 0.000 2.443 464 Q HA 0.163 4.609 4.340 0.176 0.000 0.232 464 Q C 0.107 175.975 176.000 -0.221 0.000 1.026 464 Q CA -0.591 54.892 55.803 -0.533 0.000 0.924 464 Q CB 0.719 28.842 28.738 -1.026 0.000 1.256 464 Q HN 0.304 nan 8.270 nan 0.000 0.519 465 R N 0.322 120.694 120.500 -0.213 0.000 2.679 465 R HA 0.012 4.457 4.340 0.176 0.000 0.268 465 R C 0.234 176.490 176.300 -0.072 0.000 1.044 465 R CA 1.054 57.113 56.100 -0.068 0.000 1.105 465 R CB 0.528 30.784 30.300 -0.072 0.000 0.989 465 R HN 0.973 nan 8.270 nan 0.000 0.447 466 T N -0.651 113.902 114.554 -0.002 0.000 3.422 466 T HA 0.029 4.484 4.350 0.176 0.000 0.192 466 T C 0.817 175.514 174.700 -0.004 0.000 0.857 466 T CA 0.225 62.313 62.100 -0.021 0.000 1.400 466 T CB -0.363 68.484 68.868 -0.035 0.000 1.864 466 T HN 0.701 nan 8.240 nan 0.000 0.415 467 D N 0.660 121.075 120.400 0.025 0.000 2.339 467 D HA 0.332 5.078 4.640 0.176 0.000 0.217 467 D C 1.597 177.939 176.300 0.070 0.000 1.050 467 D CA 0.603 54.631 54.000 0.046 0.000 0.856 467 D CB -0.458 40.376 40.800 0.058 0.000 0.922 467 D HN 0.974 nan 8.370 nan 0.000 0.518 468 G N 0.617 109.465 108.800 0.080 0.000 2.199 468 G HA2 -0.367 3.699 3.960 0.176 0.000 0.254 468 G HA3 -0.367 3.699 3.960 0.176 0.000 0.254 468 G C 0.988 175.930 174.900 0.071 0.000 0.982 468 G CA 0.368 45.504 45.100 0.061 0.000 0.632 468 G HN 0.446 nan 8.290 nan 0.000 0.529 469 K N -0.374 120.106 120.400 0.133 0.000 2.372 469 K HA 0.276 4.701 4.320 0.176 0.000 0.200 469 K C 0.445 176.971 176.600 -0.124 0.000 1.022 469 K CA 0.140 56.449 56.287 0.037 0.000 1.125 469 K CB 0.285 32.813 32.500 0.047 0.000 0.855 469 K HN 0.523 nan 8.250 nan 0.000 0.524 470 H N -0.136 118.941 119.070 0.012 0.000 2.767 470 H HA 0.176 4.837 4.556 0.176 0.000 0.235 470 H C -1.245 174.094 175.328 0.020 0.000 1.256 470 H CA -0.837 55.211 56.048 -0.001 0.000 0.957 470 H CB 0.226 30.005 29.762 0.029 0.000 2.117 470 H HN -0.017 nan 8.280 nan 0.000 0.602 471 D N 0.435 120.886 120.400 0.085 0.000 2.389 471 D HA 0.060 4.806 4.640 0.176 0.000 0.247 471 D C -0.059 176.274 176.300 0.056 0.000 1.128 471 D CA 0.206 54.279 54.000 0.121 0.000 0.884 471 D CB 0.516 41.361 40.800 0.075 0.000 1.194 471 D HN 0.109 nan 8.370 nan 0.000 0.441 472 F N 2.530 122.508 119.950 0.046 0.000 2.410 472 F HA 0.388 5.016 4.527 0.170 0.000 0.348 472 F C 1.015 176.828 175.800 0.022 0.000 1.106 472 F CA -0.186 57.824 58.000 0.017 0.000 1.163 472 F CB 0.716 39.733 39.000 0.029 0.000 1.129 472 F HN -0.124 nan 8.300 nan 0.000 0.516 473 R N 1.972 122.562 120.500 0.150 0.000 2.626 473 R HA 0.474 4.920 4.340 0.176 0.000 0.274 473 R C -1.712 174.695 176.300 0.178 0.000 1.031 473 R CA -0.947 55.243 56.100 0.149 0.000 0.898 473 R CB 1.891 32.261 30.300 0.117 0.000 1.222 473 R HN 0.349 nan 8.270 nan 0.000 0.455 474 V N 2.904 122.898 119.914 0.133 0.000 2.385 474 V HA 0.117 4.343 4.120 0.176 0.000 0.269 474 V C 0.487 176.729 176.094 0.247 0.000 1.043 474 V CA -0.354 62.037 62.300 0.151 0.000 0.906 474 V CB 0.966 32.818 31.823 0.049 0.000 0.995 474 V HN 0.732 nan 8.190 nan 0.000 0.467 475 W N 2.444 123.783 121.300 0.065 0.000 2.467 475 W HA 0.006 4.787 4.660 0.201 0.000 0.275 475 W C 1.066 177.632 176.519 0.077 0.000 1.239 475 W CA -0.241 57.225 57.345 0.202 0.000 1.266 475 W CB -0.682 29.042 29.460 0.441 0.000 1.112 475 W HN 0.536 nan 8.180 nan 0.000 0.576 476 N N -0.099 118.622 118.700 0.034 0.000 2.453 476 N HA 0.012 4.857 4.740 0.176 0.000 0.253 476 N C 1.344 176.661 175.510 -0.320 0.000 1.252 476 N CA 0.898 53.619 53.050 -0.548 0.000 0.917 476 N CB 0.615 38.901 38.487 -0.336 0.000 1.117 476 N HN -0.097 nan 8.380 nan 0.000 0.442 477 S N 0.275 115.760 115.700 -0.359 0.000 2.425 477 S HA 0.017 4.593 4.470 0.176 0.000 0.225 477 S C 0.325 174.818 174.600 -0.178 0.000 1.024 477 S CA 0.476 58.566 58.200 -0.183 0.000 0.951 477 S CB 0.078 63.221 63.200 -0.096 0.000 0.796 477 S HN 0.634 nan 8.310 nan 0.000 0.498 478 Q N -0.474 119.203 119.800 -0.204 0.000 2.433 478 Q HA 0.528 4.974 4.340 0.176 0.000 0.279 478 Q C 0.310 176.165 176.000 -0.242 0.000 1.105 478 Q CA -0.556 55.121 55.803 -0.209 0.000 0.815 478 Q CB 2.032 30.691 28.738 -0.132 0.000 1.403 478 Q HN 0.121 nan 8.270 nan 0.000 0.435 479 L N 0.570 121.647 121.223 -0.242 0.000 2.083 479 L HA -0.017 4.429 4.340 0.176 0.000 0.209 479 L C 0.540 177.255 176.870 -0.259 0.000 1.083 479 L CA 1.305 56.017 54.840 -0.214 0.000 0.752 479 L CB -0.008 41.925 42.059 -0.210 0.000 0.899 479 L HN 0.498 nan 8.230 nan 0.000 0.433 480 I N -0.022 120.309 120.570 -0.400 0.000 2.382 480 I HA 0.331 4.606 4.170 0.176 0.000 0.285 480 I C -0.197 175.313 176.117 -1.013 0.000 1.007 480 I CA -0.239 60.653 61.300 -0.681 0.000 1.142 480 I CB 1.335 38.874 38.000 -0.768 0.000 1.289 480 I HN 0.075 nan 8.210 nan 0.000 0.453 481 R N 4.202 124.272 120.500 -0.717 0.000 2.764 481 R HA 0.532 4.978 4.340 0.176 0.000 0.270 481 R C -1.621 174.456 176.300 -0.372 0.000 1.014 481 R CA -0.990 54.787 56.100 -0.539 0.000 0.904 481 R CB 2.741 32.924 30.300 -0.196 0.000 1.236 481 R HN 0.381 nan 8.270 nan 0.000 0.466 482 Y N 0.162 120.500 120.300 0.062 0.000 2.334 482 Y HA 0.459 5.115 4.550 0.177 0.000 0.328 482 Y C 0.773 176.758 175.900 0.141 0.000 1.130 482 Y CA -0.838 57.363 58.100 0.167 0.000 1.163 482 Y CB 1.655 40.316 38.460 0.335 0.000 1.207 482 Y HN 0.607 nan 8.280 nan 0.000 0.471 483 A N 1.665 124.667 122.820 0.303 0.000 2.366 483 A HA 0.594 5.020 4.320 0.176 0.000 0.249 483 A C 0.371 177.892 177.584 -0.105 0.000 1.084 483 A CA 0.244 52.299 52.037 0.031 0.000 0.794 483 A CB -0.122 18.877 19.000 -0.001 0.000 1.034 483 A HN 0.877 nan 8.150 nan 0.000 0.491 484 G N -0.423 108.192 108.800 -0.307 0.000 2.566 484 G HA2 0.592 4.658 3.960 0.176 0.000 0.311 484 G HA3 0.592 4.658 3.960 0.176 0.000 0.311 484 G C -1.469 173.197 174.900 -0.390 0.000 1.322 484 G CA -0.297 44.659 45.100 -0.240 0.000 0.969 484 G HN 0.538 nan 8.290 nan 0.000 0.490 485 Y N 0.706 121.024 120.300 0.031 0.000 2.373 485 Y HA 0.463 5.118 4.550 0.174 0.000 0.336 485 Y C 0.399 176.297 175.900 -0.003 0.000 0.979 485 Y CA -1.031 57.081 58.100 0.021 0.000 1.080 485 Y CB 2.454 40.926 38.460 0.019 0.000 1.190 485 Y HN 0.362 nan 8.280 nan 0.000 0.446 486 K N 2.946 123.424 120.400 0.131 0.000 2.322 486 K HA 0.266 4.691 4.320 0.176 0.000 0.283 486 K C -0.540 176.099 176.600 0.065 0.000 1.042 486 K CA -0.176 56.154 56.287 0.071 0.000 0.958 486 K CB 0.612 33.135 32.500 0.039 0.000 0.984 486 K HN 0.653 nan 8.250 nan 0.000 0.473 487 Q N 3.263 123.086 119.800 0.039 0.000 2.266 487 Q HA 0.197 4.642 4.340 0.176 0.000 0.261 487 Q C -1.732 174.270 176.000 0.005 0.000 0.985 487 Q CA -2.168 53.645 55.803 0.017 0.000 0.873 487 Q CB 1.427 30.169 28.738 0.006 0.000 1.306 487 Q HN 0.360 nan 8.270 nan 0.000 0.447 488 P HA -0.236 nan 4.420 nan 0.000 0.217 488 P C 0.596 177.891 177.300 -0.008 0.000 1.148 488 P CA 1.401 64.496 63.100 -0.008 0.000 0.834 488 P CB 0.276 31.967 31.700 -0.015 0.000 0.783 489 D N -1.644 118.750 120.400 -0.010 0.000 2.172 489 D HA -0.150 4.596 4.640 0.176 0.000 0.196 489 D C 1.688 177.985 176.300 -0.005 0.000 0.999 489 D CA 2.257 56.251 54.000 -0.009 0.000 0.856 489 D CB -0.620 40.174 40.800 -0.011 0.000 0.934 489 D HN 0.227 nan 8.370 nan 0.000 0.453 490 G N -1.351 107.449 108.800 -0.001 0.000 2.339 490 G HA2 -0.242 3.824 3.960 0.176 0.000 0.209 490 G HA3 -0.242 3.824 3.960 0.176 0.000 0.209 490 G C 0.542 175.444 174.900 0.003 0.000 1.015 490 G CA 0.602 45.703 45.100 0.001 0.000 0.635 490 G HN 0.732 nan 8.290 nan 0.000 0.499 491 S N 0.001 115.702 115.700 0.001 0.000 2.652 491 S HA 0.708 5.284 4.470 0.176 0.000 0.267 491 S C 0.050 174.653 174.600 0.005 0.000 1.201 491 S CA 0.636 58.837 58.200 0.001 0.000 0.996 491 S CB 1.566 64.764 63.200 -0.003 0.000 1.054 491 S HN 0.663 nan 8.310 nan 0.000 0.561 492 T N 1.388 115.940 114.554 -0.002 0.000 2.797 492 T HA 0.541 4.997 4.350 0.176 0.000 0.279 492 T C -0.770 173.928 174.700 -0.003 0.000 0.991 492 T CA -0.501 61.600 62.100 0.001 0.000 0.979 492 T CB 1.051 69.905 68.868 -0.023 0.000 0.943 492 T HN 0.561 nan 8.240 nan 0.000 0.444 493 L N 3.407 124.661 121.223 0.051 0.000 2.309 493 L HA 0.746 5.191 4.340 0.176 0.000 0.282 493 L C 0.691 177.618 176.870 0.095 0.000 1.036 493 L CA 1.058 55.935 54.840 0.062 0.000 0.806 493 L CB 0.126 42.234 42.059 0.081 0.000 1.220 493 L HN 0.968 nan 8.230 nan 0.000 0.429 494 G N 3.787 112.570 108.800 -0.028 0.000 2.512 494 G HA2 -0.240 3.825 3.960 0.176 0.000 0.240 494 G HA3 -0.240 3.825 3.960 0.176 0.000 0.240 494 G C -0.710 173.921 174.900 -0.450 0.000 1.246 494 G CA 0.035 45.087 45.100 -0.080 0.000 0.919 494 G HN 0.874 nan 8.290 nan 0.000 0.577 495 D N 1.554 121.806 120.400 -0.246 0.000 2.339 495 D HA 0.513 5.259 4.640 0.176 0.000 0.241 495 D C -0.975 175.251 176.300 -0.123 0.000 1.183 495 D CA -1.849 51.973 54.000 -0.297 0.000 0.859 495 D CB 1.376 42.348 40.800 0.287 0.000 1.067 495 D HN -0.006 nan 8.370 nan 0.000 0.484 496 P HA -0.041 nan 4.420 nan 0.000 0.222 496 P C 0.842 178.150 177.300 0.014 0.000 1.147 496 P CA 0.673 63.740 63.100 -0.054 0.000 0.790 496 P CB 0.229 31.898 31.700 -0.053 0.000 0.780 497 A N -0.496 122.359 122.820 0.058 0.000 2.172 497 A HA -0.105 4.321 4.320 0.176 0.000 0.216 497 A C 1.501 179.148 177.584 0.106 0.000 1.154 497 A CA 1.278 53.374 52.037 0.098 0.000 0.701 497 A CB -0.786 18.300 19.000 0.144 0.000 0.789 497 A HN 0.151 nan 8.150 nan 0.000 0.465 498 N N -0.993 117.761 118.700 0.090 0.000 2.238 498 N HA 0.135 4.981 4.740 0.176 0.000 0.235 498 N C 0.983 176.527 175.510 0.057 0.000 1.209 498 N CA 0.176 53.293 53.050 0.111 0.000 0.879 498 N CB 0.777 39.344 38.487 0.133 0.000 1.136 498 N HN 0.161 nan 8.380 nan 0.000 0.517 499 V N 1.000 120.921 119.914 0.011 0.000 2.343 499 V HA -0.231 3.994 4.120 0.176 0.000 0.247 499 V C 2.566 178.628 176.094 -0.053 0.000 1.051 499 V CA 1.781 64.058 62.300 -0.038 0.000 1.036 499 V CB -0.319 31.493 31.823 -0.018 0.000 0.654 499 V HN 0.356 nan 8.190 nan 0.000 0.451 500 Q N -0.987 118.789 119.800 -0.039 0.000 2.079 500 Q HA -0.225 4.221 4.340 0.176 0.000 0.200 500 Q C 2.154 178.002 176.000 -0.254 0.000 0.974 500 Q CA 1.999 57.722 55.803 -0.134 0.000 0.840 500 Q CB -0.159 28.514 28.738 -0.109 0.000 0.898 500 Q HN 0.628 nan 8.270 nan 0.000 0.430 501 F N 0.737 120.504 119.950 -0.305 0.000 2.146 501 F HA -0.145 4.484 4.527 0.169 0.000 0.298 501 F C 2.112 177.793 175.800 -0.198 0.000 1.096 501 F CA 1.809 59.620 58.000 -0.316 0.000 1.275 501 F CB -0.495 38.434 39.000 -0.119 0.000 1.008 501 F HN -0.003 nan 8.300 nan 0.000 0.480 502 T N 0.170 114.622 114.554 -0.170 0.000 2.684 502 T HA -0.237 4.219 4.350 0.176 0.000 0.267 502 T C 1.754 176.353 174.700 -0.169 0.000 1.036 502 T CA 1.957 63.934 62.100 -0.204 0.000 1.148 502 T CB -0.398 68.344 68.868 -0.210 0.000 0.863 502 T HN 0.395 nan 8.240 nan 0.000 0.436 503 E N 0.396 120.500 120.200 -0.160 0.000 2.110 503 E HA -0.053 4.403 4.350 0.176 0.000 0.193 503 E C 2.197 178.697 176.600 -0.167 0.000 0.988 503 E CA 0.837 57.167 56.400 -0.117 0.000 0.804 503 E CB -0.279 29.357 29.700 -0.106 0.000 0.745 503 E HN 0.495 nan 8.360 nan 0.000 0.458 504 I N 0.645 121.045 120.570 -0.283 0.000 2.226 504 I HA -0.320 3.956 4.170 0.176 0.000 0.245 504 I C 2.408 178.362 176.117 -0.272 0.000 1.100 504 I CA 0.655 61.793 61.300 -0.271 0.000 1.374 504 I CB -0.285 37.523 38.000 -0.320 0.000 1.057 504 I HN 0.254 nan 8.210 nan 0.000 0.413 505 C N 0.771 119.825 119.300 -0.410 0.000 2.432 505 C HA -0.144 4.422 4.460 0.176 0.000 0.277 505 C C 2.732 177.724 174.990 0.004 0.000 1.249 505 C CA 0.615 59.461 59.018 -0.287 0.000 1.725 505 C CB -0.828 26.641 27.740 -0.452 0.000 2.028 505 C HN 0.431 nan 8.230 nan 0.000 0.477 506 I N 0.803 121.412 120.570 0.064 0.000 2.226 506 I HA -0.254 4.022 4.170 0.176 0.000 0.245 506 I C 2.832 178.948 176.117 -0.001 0.000 1.100 506 I CA 1.703 63.058 61.300 0.092 0.000 1.374 506 I CB -0.684 37.366 38.000 0.084 0.000 1.057 506 I HN 0.475 nan 8.210 nan 0.000 0.413 507 Q N 0.625 120.392 119.800 -0.056 0.000 2.364 507 Q HA -0.198 4.248 4.340 0.176 0.000 0.207 507 Q C 1.680 177.615 176.000 -0.109 0.000 0.970 507 Q CA 1.064 56.811 55.803 -0.092 0.000 0.888 507 Q CB 0.121 28.786 28.738 -0.123 0.000 0.951 507 Q HN 0.514 nan 8.270 nan 0.000 0.469 508 Q N -0.974 118.770 119.800 -0.093 0.000 2.392 508 Q HA 0.124 4.569 4.340 0.176 0.000 0.203 508 Q C 0.889 176.852 176.000 -0.061 0.000 0.917 508 Q CA 0.962 56.710 55.803 -0.091 0.000 0.939 508 Q CB 1.320 29.994 28.738 -0.106 0.000 1.063 508 Q HN 0.617 nan 8.270 nan 0.000 0.516 509 G N -0.244 108.544 108.800 -0.022 0.000 2.260 509 G HA2 -0.194 3.872 3.960 0.176 0.000 0.179 509 G HA3 -0.194 3.872 3.960 0.176 0.000 0.179 509 G C -0.451 174.480 174.900 0.052 0.000 1.002 509 G CA -0.350 44.745 45.100 -0.009 0.000 0.677 509 G HN 0.249 nan 8.290 nan 0.000 0.486 510 W N 3.626 124.862 121.300 -0.107 0.000 2.295 510 W HA 0.503 5.264 4.660 0.168 0.000 0.335 510 W C 0.470 176.963 176.519 -0.044 0.000 1.351 510 W CA -0.024 57.272 57.345 -0.081 0.000 1.273 510 W CB 0.480 29.889 29.460 -0.085 0.000 1.214 510 W HN 0.051 nan 8.180 nan 0.000 0.563 511 K N 6.275 126.396 120.400 -0.464 0.000 2.250 511 K HA 0.418 4.843 4.320 0.176 0.000 0.285 511 K C 0.071 176.034 176.600 -1.063 0.000 1.097 511 K CA -0.354 55.609 56.287 -0.540 0.000 0.913 511 K CB 0.195 32.500 32.500 -0.325 0.000 1.179 511 K HN 0.478 nan 8.250 nan 0.000 0.462 512 A N 4.431 126.671 122.820 -0.966 0.000 2.409 512 A HA 0.229 4.655 4.320 0.176 0.000 0.267 512 A C -1.566 175.685 177.584 -0.555 0.000 1.127 512 A CA -1.157 50.233 52.037 -1.077 0.000 0.795 512 A CB 0.134 18.940 19.000 -0.323 0.000 1.061 512 A HN 0.492 nan 8.150 nan 0.000 0.502 513 P HA -0.005 nan 4.420 nan 0.000 0.233 513 P C -0.000 177.153 177.300 -0.245 0.000 1.167 513 P CA 0.020 62.985 63.100 -0.224 0.000 0.770 513 P CB 0.073 31.727 31.700 -0.077 0.000 0.837 514 R N -0.947 119.306 120.500 -0.411 0.000 3.264 514 R HA -0.108 4.338 4.340 0.176 0.000 0.251 514 R C 0.650 176.721 176.300 -0.381 0.000 0.971 514 R CA 0.354 55.991 56.100 -0.772 0.000 0.658 514 R CB -2.288 27.631 30.300 -0.635 0.000 1.095 514 R HN 0.359 nan 8.270 nan 0.000 0.443 515 G N -0.708 108.018 108.800 -0.123 0.000 2.705 515 G HA2 0.390 4.456 3.960 0.176 0.000 0.299 515 G HA3 0.390 4.456 3.960 0.176 0.000 0.299 515 G C 0.284 175.246 174.900 0.104 0.000 1.315 515 G CA -0.589 44.520 45.100 0.014 0.000 1.045 515 G HN 0.228 nan 8.290 nan 0.000 0.517 516 R N -1.417 119.100 120.500 0.028 0.000 2.200 516 R HA 0.200 4.646 4.340 0.176 0.000 0.208 516 R C -0.115 175.938 176.300 -0.412 0.000 1.033 516 R CA 0.574 56.580 56.100 -0.157 0.000 1.000 516 R CB -0.034 30.114 30.300 -0.253 0.000 0.906 516 R HN 0.388 nan 8.270 nan 0.000 0.462 517 F N 1.132 121.108 119.950 0.044 0.000 2.576 517 F HA 0.256 4.888 4.527 0.174 0.000 0.365 517 F C -1.118 174.727 175.800 0.074 0.000 1.506 517 F CA -1.135 56.681 58.000 -0.306 0.000 1.113 517 F CB 0.916 39.567 39.000 -0.581 0.000 1.293 517 F HN -0.191 nan 8.300 nan 0.000 0.540 518 D N 1.691 122.364 120.400 0.456 0.000 2.295 518 D HA 0.185 4.931 4.640 0.176 0.000 0.248 518 D C 0.223 176.869 176.300 0.577 0.000 1.154 518 D CA -0.043 54.274 54.000 0.528 0.000 0.857 518 D CB 2.282 43.442 40.800 0.599 0.000 1.117 518 D HN -0.073 nan 8.370 nan 0.000 0.468 519 V N 3.654 123.847 119.914 0.465 0.000 2.485 519 V HA -0.043 4.183 4.120 0.176 0.000 0.287 519 V C 1.061 177.222 176.094 0.112 0.000 1.022 519 V CA -0.235 62.201 62.300 0.227 0.000 1.067 519 V CB -0.141 31.762 31.823 0.133 0.000 0.967 519 V HN 0.362 nan 8.190 nan 0.000 0.479 520 L N 8.759 129.950 121.223 -0.054 0.000 2.483 520 L HA 0.212 4.658 4.340 0.176 0.000 0.275 520 L C -1.612 175.060 176.870 -0.330 0.000 1.220 520 L CA -1.043 53.608 54.840 -0.316 0.000 0.833 520 L CB 0.322 42.321 42.059 -0.101 0.000 1.102 520 L HN 0.483 nan 8.230 nan 0.000 0.490 521 P HA 0.187 nan 4.420 nan 0.000 0.276 521 P C -0.867 176.357 177.300 -0.127 0.000 1.244 521 P CA -0.513 62.368 63.100 -0.366 0.000 0.801 521 P CB 0.819 32.142 31.700 -0.628 0.000 1.006 522 L N 1.327 122.555 121.223 0.009 0.000 2.397 522 L HA 0.316 4.762 4.340 0.176 0.000 0.271 522 L C 0.674 177.612 176.870 0.113 0.000 1.148 522 L CA -0.405 54.504 54.840 0.115 0.000 0.825 522 L CB 0.214 42.381 42.059 0.181 0.000 1.117 522 L HN 0.247 nan 8.230 nan 0.000 0.456 523 L N 5.037 126.365 121.223 0.175 0.000 2.353 523 L HA 0.478 4.924 4.340 0.176 0.000 0.270 523 L C -0.979 175.898 176.870 0.011 0.000 1.003 523 L CA -0.380 54.485 54.840 0.041 0.000 0.862 523 L CB 1.104 43.223 42.059 0.101 0.000 1.221 523 L HN 0.515 nan 8.230 nan 0.000 0.430 524 L N 4.278 125.490 121.223 -0.018 0.000 2.307 524 L HA 0.494 4.940 4.340 0.176 0.000 0.284 524 L C -0.289 176.495 176.870 -0.143 0.000 1.023 524 L CA -0.395 54.435 54.840 -0.016 0.000 0.810 524 L CB 1.940 44.033 42.059 0.057 0.000 1.231 524 L HN 0.556 nan 8.230 nan 0.000 0.423 525 Q N 2.956 122.681 119.800 -0.126 0.000 2.333 525 Q HA 0.708 5.154 4.340 0.176 0.000 0.268 525 Q C -1.390 174.461 176.000 -0.249 0.000 1.007 525 Q CA -0.603 55.086 55.803 -0.191 0.000 0.810 525 Q CB 2.106 30.804 28.738 -0.066 0.000 1.264 525 Q HN 0.772 nan 8.270 nan 0.000 0.452 526 A N 4.122 126.726 122.820 -0.360 0.000 2.330 526 A HA 0.372 4.798 4.320 0.176 0.000 0.327 526 A C 0.142 177.234 177.584 -0.821 0.000 1.155 526 A CA -0.384 51.207 52.037 -0.744 0.000 0.803 526 A CB 0.686 19.486 19.000 -0.334 0.000 1.208 526 A HN 1.143 nan 8.150 nan 0.000 0.477 527 N N 0.893 118.700 118.700 -1.488 0.000 2.708 527 N HA -0.254 4.592 4.740 0.176 0.000 0.249 527 N C 0.999 176.331 175.510 -0.298 0.000 1.097 527 N CA 1.217 53.894 53.050 -0.623 0.000 0.710 527 N CB -0.630 37.719 38.487 -0.230 0.000 1.032 527 N HN 2.192 nan 8.380 nan 0.000 0.551 528 G N -1.301 107.319 108.800 -0.300 0.000 2.168 528 G HA2 -0.336 3.730 3.960 0.176 0.000 0.263 528 G HA3 -0.336 3.730 3.960 0.176 0.000 0.263 528 G C 0.231 175.067 174.900 -0.106 0.000 0.977 528 G CA 0.571 45.570 45.100 -0.168 0.000 0.659 528 G HN 0.585 nan 8.290 nan 0.000 0.533 529 N N 1.066 119.666 118.700 -0.167 0.000 2.317 529 N HA 0.284 5.130 4.740 0.176 0.000 0.245 529 N C 0.064 175.485 175.510 -0.148 0.000 1.294 529 N CA -0.225 52.760 53.050 -0.109 0.000 0.924 529 N CB 0.273 38.692 38.487 -0.113 0.000 1.186 529 N HN 0.182 nan 8.380 nan 0.000 0.495 530 D N 1.122 121.457 120.400 -0.110 0.000 2.414 530 D HA 0.132 4.878 4.640 0.176 0.000 0.242 530 D C -1.893 174.165 176.300 -0.404 0.000 1.129 530 D CA -0.551 53.288 54.000 -0.269 0.000 0.885 530 D CB 0.106 40.892 40.800 -0.023 0.000 1.198 530 D HN 0.272 nan 8.370 nan 0.000 0.437 531 P HA 0.133 nan 4.420 nan 0.000 0.271 531 P C -0.586 176.461 177.300 -0.422 0.000 1.218 531 P CA -0.146 62.537 63.100 -0.695 0.000 0.780 531 P CB 1.140 31.973 31.700 -1.446 0.000 0.901 532 E N 0.960 120.971 120.200 -0.315 0.000 2.244 532 E HA 0.476 4.932 4.350 0.176 0.000 0.266 532 E C -0.496 175.834 176.600 -0.450 0.000 0.914 532 E CA -0.997 55.189 56.400 -0.357 0.000 0.794 532 E CB 1.520 30.991 29.700 -0.383 0.000 1.210 532 E HN 0.356 nan 8.360 nan 0.000 0.414 533 L N 2.285 123.160 121.223 -0.580 0.000 2.334 533 L HA 0.493 4.939 4.340 0.176 0.000 0.277 533 L C -0.889 175.422 176.870 -0.931 0.000 1.075 533 L CA -0.271 54.261 54.840 -0.514 0.000 0.804 533 L CB 0.353 42.220 42.059 -0.320 0.000 1.174 533 L HN 0.441 nan 8.230 nan 0.000 0.438 534 F N 0.454 120.206 119.950 -0.330 0.000 2.596 534 F HA 0.298 4.166 4.527 -1.097 0.000 0.311 534 F C -0.178 175.424 175.800 -0.329 0.000 1.116 534 F CA -0.646 57.031 58.000 -0.538 0.000 0.957 534 F CB 1.815 40.188 39.000 -1.044 0.000 1.250 534 F HN 0.350 nan 8.300 nan 0.000 0.444 535 Q N 3.977 123.738 119.800 -0.065 0.000 2.296 535 Q HA 0.492 4.938 4.340 0.176 0.000 0.257 535 Q C -0.550 175.588 176.000 0.230 0.000 0.942 535 Q CA -0.504 55.352 55.803 0.087 0.000 0.939 535 Q CB 0.899 29.719 28.738 0.137 0.000 1.198 535 Q HN 0.678 nan 8.270 nan 0.000 0.429 536 I N 6.736 127.477 120.570 0.285 0.000 2.752 536 I HA 0.014 4.290 4.170 0.176 0.000 0.289 536 I C -1.881 174.379 176.117 0.237 0.000 1.197 536 I CA -1.646 59.853 61.300 0.332 0.000 1.432 536 I CB 0.217 38.314 38.000 0.162 0.000 1.359 536 I HN 0.497 nan 8.210 nan 0.000 0.571 537 P HA -0.011 nan 4.420 nan 0.000 0.258 537 P C -1.988 175.379 177.300 0.112 0.000 1.172 537 P CA -0.681 62.513 63.100 0.157 0.000 0.762 537 P CB 0.073 31.841 31.700 0.113 0.000 0.764 538 P HA -0.214 nan 4.420 nan 0.000 0.216 538 P C 1.403 178.746 177.300 0.073 0.000 1.150 538 P CA 1.350 64.508 63.100 0.096 0.000 0.843 538 P CB -0.214 31.546 31.700 0.099 0.000 0.787 539 E N 0.184 120.422 120.200 0.064 0.000 2.401 539 E HA -0.145 4.311 4.350 0.176 0.000 0.199 539 E C 1.501 178.124 176.600 0.039 0.000 1.023 539 E CA 1.033 57.461 56.400 0.047 0.000 0.859 539 E CB -1.008 28.716 29.700 0.041 0.000 0.780 539 E HN 0.327 nan 8.360 nan 0.000 0.523 540 L N 0.824 122.073 121.223 0.042 0.000 2.529 540 L HA 0.139 4.585 4.340 0.176 0.000 0.223 540 L C 0.628 177.519 176.870 0.035 0.000 1.113 540 L CA -0.076 54.782 54.840 0.031 0.000 0.861 540 L CB 0.587 42.656 42.059 0.017 0.000 1.012 540 L HN -0.116 nan 8.230 nan 0.000 0.461 541 V N 2.620 122.558 119.914 0.042 0.000 2.322 541 V HA 0.101 4.327 4.120 0.176 0.000 0.258 541 V C 0.111 176.237 176.094 0.054 0.000 1.074 541 V CA -0.482 61.842 62.300 0.039 0.000 0.909 541 V CB 0.912 32.755 31.823 0.032 0.000 1.090 541 V HN 0.088 nan 8.190 nan 0.000 0.486 542 L N 5.731 126.989 121.223 0.058 0.000 2.418 542 L HA 0.397 4.843 4.340 0.176 0.000 0.274 542 L C 0.168 177.075 176.870 0.062 0.000 1.135 542 L CA 0.825 55.692 54.840 0.044 0.000 0.870 542 L CB 0.177 42.253 42.059 0.029 0.000 1.154 542 L HN 0.635 nan 8.230 nan 0.000 0.462 543 E N 3.424 123.644 120.200 0.034 0.000 2.263 543 E HA 0.630 5.086 4.350 0.176 0.000 0.264 543 E C -1.403 175.155 176.600 -0.069 0.000 0.923 543 E CA -1.072 55.351 56.400 0.038 0.000 0.802 543 E CB 2.476 32.228 29.700 0.086 0.000 1.228 543 E HN 0.422 nan 8.360 nan 0.000 0.417 544 V N 3.216 123.067 119.914 -0.106 0.000 2.443 544 V HA 0.290 4.516 4.120 0.176 0.000 0.293 544 V C -2.352 173.720 176.094 -0.037 0.000 1.021 544 V CA -1.935 60.249 62.300 -0.193 0.000 0.848 544 V CB 1.487 32.952 31.823 -0.595 0.000 0.998 544 V HN 0.548 nan 8.190 nan 0.000 0.424 545 P HA 0.224 nan 4.420 nan 0.000 0.271 545 P C -0.760 176.602 177.300 0.104 0.000 1.216 545 P CA -0.096 63.023 63.100 0.031 0.000 0.771 545 P CB 0.843 32.558 31.700 0.024 0.000 0.864 546 I N 4.706 125.389 120.570 0.189 0.000 2.297 546 I HA 0.270 4.546 4.170 0.176 0.000 0.291 546 I C 1.205 177.547 176.117 0.375 0.000 1.033 546 I CA -0.323 61.163 61.300 0.309 0.000 1.253 546 I CB 0.003 38.280 38.000 0.462 0.000 1.396 546 I HN 0.407 nan 8.210 nan 0.000 0.476 547 R N 5.402 126.074 120.500 0.286 0.000 2.892 547 R HA 0.529 4.975 4.340 0.176 0.000 0.265 547 R C -1.046 175.326 176.300 0.119 0.000 1.025 547 R CA -0.678 55.595 56.100 0.287 0.000 0.982 547 R CB 1.985 32.430 30.300 0.241 0.000 1.185 547 R HN 0.546 nan 8.270 nan 0.000 0.484 548 H N 1.543 120.529 119.070 -0.140 0.000 2.469 548 H HA 0.292 4.954 4.556 0.176 0.000 0.342 548 H C -1.753 173.279 175.328 -0.494 0.000 1.115 548 H CA -2.032 53.767 56.048 -0.416 0.000 1.204 548 H CB 2.435 31.864 29.762 -0.556 0.000 1.492 548 H HN 0.323 nan 8.280 nan 0.000 0.499 549 P HA -0.063 nan 4.420 nan 0.000 0.221 549 P C 0.570 177.584 177.300 -0.476 0.000 1.150 549 P CA 1.181 63.638 63.100 -1.070 0.000 0.800 549 P CB 0.739 31.636 31.700 -1.338 0.000 0.787 550 K N -1.400 118.834 120.400 -0.278 0.000 2.287 550 K HA 0.154 4.580 4.320 0.176 0.000 0.199 550 K C 0.671 177.098 176.600 -0.287 0.000 1.061 550 K CA 0.197 56.298 56.287 -0.310 0.000 0.976 550 K CB 0.104 32.306 32.500 -0.496 0.000 0.898 550 K HN 0.143 nan 8.250 nan 0.000 0.492 551 F N 2.236 122.046 119.950 -0.235 0.000 2.375 551 F HA 0.056 4.689 4.527 0.176 0.000 0.362 551 F C 1.100 176.581 175.800 -0.533 0.000 1.129 551 F CA -0.805 56.797 58.000 -0.663 0.000 1.154 551 F CB 0.918 39.073 39.000 -1.409 0.000 1.205 551 F HN -0.007 nan 8.300 nan 0.000 0.513 552 D N 4.489 124.810 120.400 -0.132 0.000 2.219 552 D HA -0.176 4.570 4.640 0.176 0.000 0.205 552 D C 1.976 178.302 176.300 0.044 0.000 0.970 552 D CA 1.183 55.175 54.000 -0.013 0.000 0.851 552 D CB 0.067 40.903 40.800 0.060 0.000 0.943 552 D HN 0.650 nan 8.370 nan 0.000 0.488 553 W N -0.604 120.799 121.300 0.173 0.000 2.465 553 W HA -0.076 4.690 4.660 0.176 0.000 0.268 553 W C 1.465 178.062 176.519 0.130 0.000 1.242 553 W CA -0.345 57.063 57.345 0.105 0.000 1.248 553 W CB -1.332 28.145 29.460 0.027 0.000 1.118 553 W HN -0.085 nan 8.180 nan 0.000 0.587 554 F N 3.812 123.661 119.950 -0.168 0.000 2.091 554 F HA -0.312 4.321 4.527 0.176 0.000 0.299 554 F C 2.789 178.675 175.800 0.142 0.000 1.103 554 F CA 3.463 61.458 58.000 -0.009 0.000 1.228 554 F CB -0.298 38.593 39.000 -0.181 0.000 0.984 554 F HN -0.128 nan 8.300 nan 0.000 0.477 555 K N -0.440 120.132 120.400 0.286 0.000 2.152 555 K HA -0.216 4.210 4.320 0.176 0.000 0.206 555 K C 1.409 178.085 176.600 0.126 0.000 1.048 555 K CA 1.912 58.324 56.287 0.208 0.000 0.933 555 K CB -0.688 31.915 32.500 0.173 0.000 0.721 555 K HN 0.190 nan 8.250 nan 0.000 0.447 556 D N 1.435 121.916 120.400 0.134 0.000 2.263 556 D HA -0.105 4.641 4.640 0.176 0.000 0.208 556 D C 1.790 178.120 176.300 0.049 0.000 0.971 556 D CA 0.836 54.896 54.000 0.100 0.000 0.867 556 D CB -0.108 40.770 40.800 0.130 0.000 0.929 556 D HN 0.300 nan 8.370 nan 0.000 0.492 557 L N -0.296 120.924 121.223 -0.005 0.000 2.549 557 L HA 0.041 4.486 4.340 0.176 0.000 0.229 557 L C 1.586 178.454 176.870 -0.003 0.000 1.158 557 L CA 0.552 55.353 54.840 -0.066 0.000 0.842 557 L CB -0.441 41.470 42.059 -0.247 0.000 0.952 557 L HN 0.088 nan 8.230 nan 0.000 0.452 558 G N 0.617 109.439 108.800 0.036 0.000 2.198 558 G HA2 -0.285 3.781 3.960 0.176 0.000 0.260 558 G HA3 -0.285 3.781 3.960 0.176 0.000 0.260 558 G C 0.138 175.102 174.900 0.106 0.000 1.025 558 G CA -0.080 45.072 45.100 0.087 0.000 0.769 558 G HN 0.265 nan 8.290 nan 0.000 0.507 559 L N -0.174 121.067 121.223 0.031 0.000 2.349 559 L HA 0.654 5.100 4.340 0.176 0.000 0.275 559 L C 0.736 177.545 176.870 -0.102 0.000 1.115 559 L CA -0.273 54.544 54.840 -0.037 0.000 0.820 559 L CB 1.190 43.189 42.059 -0.100 0.000 1.135 559 L HN 0.482 nan 8.230 nan 0.000 0.445 560 K N 2.026 122.194 120.400 -0.387 0.000 2.533 560 K HA 0.549 4.975 4.320 0.176 0.000 0.272 560 K C -1.866 174.787 176.600 0.088 0.000 0.985 560 K CA -1.034 55.146 56.287 -0.178 0.000 0.876 560 K CB 2.575 34.896 32.500 -0.299 0.000 1.452 560 K HN 0.562 nan 8.250 nan 0.000 0.439 561 W N 2.069 123.394 121.300 0.041 0.000 3.075 561 W HA 0.356 5.125 4.660 0.182 0.000 0.334 561 W C -1.288 175.343 176.519 0.186 0.000 1.243 561 W CA -0.887 56.550 57.345 0.153 0.000 1.170 561 W CB 1.823 31.267 29.460 -0.027 0.000 1.452 561 W HN 0.716 nan 8.180 nan 0.000 0.572 562 Y N 0.192 120.430 120.300 -0.103 0.000 2.307 562 Y HA 0.564 5.224 4.550 0.183 0.000 0.324 562 Y C 1.009 177.140 175.900 0.386 0.000 1.238 562 Y CA -0.056 58.061 58.100 0.028 0.000 1.280 562 Y CB 0.371 38.711 38.460 -0.200 0.000 1.248 562 Y HN 0.449 nan 8.280 nan 0.000 0.508 563 G N 1.452 110.494 108.800 0.403 0.000 2.511 563 G HA2 -0.035 4.031 3.960 0.176 0.000 0.217 563 G HA3 -0.035 4.031 3.960 0.176 0.000 0.217 563 G C -0.252 174.967 174.900 0.531 0.000 1.133 563 G CA 0.134 45.518 45.100 0.474 0.000 0.792 563 G HN 0.518 nan 8.290 nan 0.000 0.539 564 L N 2.480 123.982 121.223 0.465 0.000 2.277 564 L HA 0.473 4.919 4.340 0.176 0.000 0.284 564 L C -2.319 174.677 176.870 0.211 0.000 1.028 564 L CA -2.701 52.304 54.840 0.275 0.000 0.835 564 L CB 1.797 43.966 42.059 0.184 0.000 1.215 564 L HN -0.169 nan 8.230 nan 0.000 0.425 565 P HA 0.376 nan 4.420 nan 0.000 0.287 565 P C -1.403 175.795 177.300 -0.170 0.000 1.294 565 P CA -0.380 62.564 63.100 -0.260 0.000 0.776 565 P CB 1.529 32.712 31.700 -0.863 0.000 0.889 566 A N 4.171 126.894 122.820 -0.161 0.000 2.651 566 A HA 0.396 4.822 4.320 0.176 0.000 0.290 566 A C -0.501 176.843 177.584 -0.400 0.000 1.185 566 A CA -0.592 51.286 52.037 -0.265 0.000 0.746 566 A CB 0.704 19.580 19.000 -0.207 0.000 1.213 566 A HN 0.288 nan 8.150 nan 0.000 0.429 567 V N 2.678 122.181 119.914 -0.684 0.000 2.555 567 V HA 0.320 4.546 4.120 0.176 0.000 0.286 567 V C 1.241 176.882 176.094 -0.756 0.000 1.044 567 V CA 1.117 62.972 62.300 -0.742 0.000 1.026 567 V CB 1.316 32.548 31.823 -0.984 0.000 0.981 567 V HN 1.115 nan 8.190 nan 0.000 0.480 568 S N 1.758 117.213 115.700 -0.409 0.000 2.733 568 S HA 0.049 4.625 4.470 0.176 0.000 0.247 568 S C 0.777 175.295 174.600 -0.137 0.000 1.043 568 S CA 0.090 58.135 58.200 -0.259 0.000 1.066 568 S CB -0.358 62.730 63.200 -0.188 0.000 1.045 568 S HN 0.909 nan 8.310 nan 0.000 0.586 569 N N 0.382 119.000 118.700 -0.137 0.000 2.203 569 N HA 0.309 5.155 4.740 0.176 0.000 0.207 569 N C 0.266 175.768 175.510 -0.014 0.000 1.130 569 N CA -0.480 52.530 53.050 -0.067 0.000 0.861 569 N CB 0.132 38.572 38.487 -0.079 0.000 1.005 569 N HN 0.268 nan 8.380 nan 0.000 0.507 570 M N 1.023 120.623 119.600 -0.000 0.000 2.369 570 M HA 0.360 4.946 4.480 0.176 0.000 0.291 570 M C -0.692 175.695 176.300 0.146 0.000 1.178 570 M CA -0.840 54.492 55.300 0.053 0.000 0.996 570 M CB 2.015 34.649 32.600 0.056 0.000 1.472 570 M HN 0.087 nan 8.290 nan 0.000 0.496 571 L N 2.078 123.389 121.223 0.148 0.000 2.333 571 L HA 0.505 4.951 4.340 0.176 0.000 0.280 571 L C -1.436 175.542 176.870 0.180 0.000 1.004 571 L CA -0.955 53.978 54.840 0.155 0.000 0.820 571 L CB 1.407 43.511 42.059 0.074 0.000 1.247 571 L HN 0.535 nan 8.230 nan 0.000 0.416 572 L N 5.006 126.347 121.223 0.198 0.000 2.265 572 L HA 0.431 4.877 4.340 0.176 0.000 0.288 572 L C -0.428 176.471 176.870 0.047 0.000 1.058 572 L CA 0.366 55.207 54.840 0.001 0.000 0.809 572 L CB 1.190 43.251 42.059 0.004 0.000 1.179 572 L HN 0.708 nan 8.230 nan 0.000 0.429 573 E N 5.920 126.063 120.200 -0.095 0.000 2.129 573 E HA 0.479 4.934 4.350 0.176 0.000 0.268 573 E C -1.497 175.033 176.600 -0.116 0.000 0.900 573 E CA -0.502 55.864 56.400 -0.056 0.000 0.755 573 E CB 0.985 30.644 29.700 -0.068 0.000 1.117 573 E HN 0.718 nan 8.360 nan 0.000 0.410 574 I N 3.460 123.972 120.570 -0.096 0.000 2.439 574 I HA 0.312 4.588 4.170 0.176 0.000 0.285 574 I C 0.673 176.573 176.117 -0.362 0.000 1.021 574 I CA -0.647 60.464 61.300 -0.316 0.000 1.091 574 I CB 2.014 39.773 38.000 -0.400 0.000 1.242 574 I HN 0.858 nan 8.210 nan 0.000 0.439 575 G N 4.357 112.939 108.800 -0.362 0.000 2.395 575 G HA2 -0.108 3.958 3.960 0.176 0.000 0.300 575 G HA3 -0.108 3.958 3.960 0.176 0.000 0.300 575 G C 1.057 175.997 174.900 0.067 0.000 0.998 575 G CA 0.811 45.870 45.100 -0.069 0.000 1.046 575 G HN 1.531 nan 8.290 nan 0.000 0.513 576 G N -1.949 106.854 108.800 0.005 0.000 2.234 576 G HA2 -0.270 3.795 3.960 0.176 0.000 0.260 576 G HA3 -0.270 3.795 3.960 0.176 0.000 0.260 576 G C 0.563 175.436 174.900 -0.046 0.000 0.987 576 G CA 0.663 45.773 45.100 0.017 0.000 0.625 576 G HN 1.367 nan 8.290 nan 0.000 0.532 577 L N 0.687 121.834 121.223 -0.127 0.000 2.371 577 L HA 0.561 5.006 4.340 0.176 0.000 0.272 577 L C 0.374 177.053 176.870 -0.318 0.000 1.124 577 L CA -0.353 54.307 54.840 -0.300 0.000 0.816 577 L CB 1.030 42.807 42.059 -0.471 0.000 1.129 577 L HN 0.135 nan 8.230 nan 0.000 0.448 578 E N 2.827 122.761 120.200 -0.443 0.000 2.145 578 E HA 0.334 4.790 4.350 0.176 0.000 0.262 578 E C -1.474 174.863 176.600 -0.439 0.000 0.883 578 E CA -0.393 55.836 56.400 -0.285 0.000 0.748 578 E CB 1.459 31.066 29.700 -0.155 0.000 1.140 578 E HN 0.287 nan 8.360 nan 0.000 0.417 579 F N 1.882 121.804 119.950 -0.046 0.000 2.293 579 F HA 0.096 4.727 4.527 0.173 0.000 0.370 579 F C 1.473 177.304 175.800 0.051 0.000 1.090 579 F CA -0.458 57.536 58.000 -0.009 0.000 1.133 579 F CB 1.127 40.105 39.000 -0.036 0.000 1.360 579 F HN 0.377 nan 8.300 nan 0.000 0.489 580 S N 1.112 116.914 115.700 0.170 0.000 2.522 580 S HA 0.345 4.921 4.470 0.176 0.000 0.227 580 S C 0.736 175.446 174.600 0.184 0.000 0.986 580 S CA 0.184 58.471 58.200 0.144 0.000 0.929 580 S CB 0.137 63.397 63.200 0.101 0.000 0.769 580 S HN 0.491 nan 8.310 nan 0.000 0.529 581 A N 1.006 123.986 122.820 0.267 0.000 2.410 581 A HA 0.594 5.020 4.320 0.176 0.000 0.289 581 A C -0.158 177.666 177.584 0.401 0.000 1.200 581 A CA -0.662 51.557 52.037 0.305 0.000 0.751 581 A CB 0.337 19.515 19.000 0.297 0.000 1.161 581 A HN 0.983 nan 8.150 nan 0.000 0.459 582 C N 0.547 120.034 119.300 0.311 0.000 3.235 582 C HA 0.457 5.023 4.460 0.176 0.000 0.198 582 C C -2.833 172.304 174.990 0.245 0.000 1.527 582 C CA -1.753 57.428 59.018 0.272 0.000 1.167 582 C CB -0.434 27.489 27.740 0.306 0.000 1.938 582 C HN 0.546 nan 8.230 nan 0.000 0.593 583 P HA 0.255 nan 4.420 nan 0.000 0.264 583 P C -0.560 176.758 177.300 0.030 0.000 1.183 583 P CA 1.088 64.147 63.100 -0.068 0.000 0.763 583 P CB 0.241 31.863 31.700 -0.130 0.000 0.807 584 F N -0.202 119.670 119.950 -0.130 0.000 2.576 584 F HA 0.772 5.406 4.527 0.179 0.000 0.313 584 F C -0.598 175.112 175.800 -0.151 0.000 1.078 584 F CA -1.200 56.735 58.000 -0.109 0.000 0.921 584 F CB 1.631 40.435 39.000 -0.326 0.000 1.232 584 F HN 0.370 nan 8.300 nan 0.000 0.459 585 S N 0.497 116.285 115.700 0.147 0.000 2.564 585 S HA 0.956 5.532 4.470 0.176 0.000 0.274 585 S C -0.668 173.886 174.600 -0.076 0.000 1.124 585 S CA -0.176 58.040 58.200 0.026 0.000 0.869 585 S CB 1.546 64.856 63.200 0.183 0.000 1.105 585 S HN 1.416 nan 8.310 nan 0.000 0.472 586 G N 0.087 108.795 108.800 -0.153 0.000 3.382 586 G HA2 0.731 4.797 3.960 0.176 0.000 0.183 586 G HA3 0.731 4.797 3.960 0.176 0.000 0.183 586 G C -1.480 173.428 174.900 0.013 0.000 1.246 586 G CA -0.340 44.617 45.100 -0.238 0.000 0.828 586 G HN 1.125 nan 8.290 nan 0.000 0.728 587 W N -1.413 119.884 121.300 -0.005 0.000 3.083 587 W HA 0.794 5.559 4.660 0.175 0.000 0.333 587 W C -1.519 175.002 176.519 0.003 0.000 1.217 587 W CA -2.238 55.119 57.345 0.019 0.000 1.170 587 W CB 0.427 29.943 29.460 0.093 0.000 1.437 587 W HN 0.452 nan 8.180 nan 0.000 0.557 588 Y N 2.601 123.083 120.300 0.303 0.000 2.397 588 Y HA 0.242 4.898 4.550 0.176 0.000 0.335 588 Y C 1.002 176.966 175.900 0.106 0.000 1.213 588 Y CA -0.587 57.569 58.100 0.092 0.000 1.391 588 Y CB 1.195 39.605 38.460 -0.083 0.000 1.293 588 Y HN 0.425 nan 8.280 nan 0.000 0.557 589 M N 2.456 122.209 119.600 0.255 0.000 2.188 589 M HA 0.273 4.859 4.480 0.176 0.000 0.357 589 M C 1.188 177.482 176.300 -0.010 0.000 1.204 589 M CA 0.106 55.484 55.300 0.130 0.000 1.095 589 M CB 1.137 33.792 32.600 0.092 0.000 1.604 589 M HN 0.909 nan 8.290 nan 0.000 0.464 590 G N 1.492 110.246 108.800 -0.076 0.000 2.505 590 G HA2 -0.309 3.757 3.960 0.176 0.000 0.220 590 G HA3 -0.309 3.757 3.960 0.176 0.000 0.220 590 G C 1.163 175.899 174.900 -0.273 0.000 1.145 590 G CA 1.751 46.719 45.100 -0.220 0.000 0.761 590 G HN 0.883 nan 8.290 nan 0.000 0.571 591 T N -0.760 113.676 114.554 -0.197 0.000 2.881 591 T HA -0.039 4.417 4.350 0.176 0.000 0.270 591 T C 1.930 176.461 174.700 -0.282 0.000 1.068 591 T CA 1.608 63.552 62.100 -0.259 0.000 1.131 591 T CB -0.288 68.396 68.868 -0.306 0.000 0.871 591 T HN 0.542 nan 8.240 nan 0.000 0.479 592 E N 1.020 121.069 120.200 -0.252 0.000 2.085 592 E HA -0.077 4.379 4.350 0.176 0.000 0.194 592 E C 2.100 178.402 176.600 -0.496 0.000 0.994 592 E CA 1.528 57.783 56.400 -0.242 0.000 0.801 592 E CB -0.345 29.351 29.700 -0.006 0.000 0.743 592 E HN 0.600 nan 8.360 nan 0.000 0.453 593 I N 0.216 120.300 120.570 -0.809 0.000 2.270 593 I HA -0.064 4.212 4.170 0.176 0.000 0.239 593 I C 2.607 178.139 176.117 -0.976 0.000 1.080 593 I CA 1.005 61.549 61.300 -1.260 0.000 1.383 593 I CB -0.530 36.567 38.000 -1.505 0.000 1.097 593 I HN 0.111 nan 8.210 nan 0.000 0.420 594 G N 0.446 108.885 108.800 -0.602 0.000 2.422 594 G HA2 -0.096 3.970 3.960 0.176 0.000 0.218 594 G HA3 -0.096 3.970 3.960 0.176 0.000 0.218 594 G C 1.607 176.432 174.900 -0.125 0.000 1.140 594 G CA 0.791 45.735 45.100 -0.259 0.000 0.775 594 G HN 0.214 nan 8.290 nan 0.000 0.545 595 V N 0.126 119.922 119.914 -0.198 0.000 2.403 595 V HA 0.079 4.305 4.120 0.176 0.000 0.239 595 V C 2.786 178.809 176.094 -0.117 0.000 1.041 595 V CA 0.906 63.125 62.300 -0.135 0.000 1.051 595 V CB -0.236 31.480 31.823 -0.179 0.000 0.704 595 V HN 0.103 nan 8.190 nan 0.000 0.472 596 R N 0.685 121.080 120.500 -0.175 0.000 2.051 596 R HA -0.033 4.413 4.340 0.176 0.000 0.225 596 R C 2.000 178.247 176.300 -0.088 0.000 1.155 596 R CA 1.521 57.544 56.100 -0.128 0.000 0.945 596 R CB -1.209 29.005 30.300 -0.143 0.000 0.840 596 R HN 0.457 nan 8.270 nan 0.000 0.432 597 D N 0.185 120.450 120.400 -0.225 0.000 2.123 597 D HA -0.167 4.579 4.640 0.176 0.000 0.196 597 D C 2.031 178.396 176.300 0.107 0.000 0.992 597 D CA 1.324 55.208 54.000 -0.194 0.000 0.833 597 D CB -0.239 40.022 40.800 -0.899 0.000 0.954 597 D HN 0.385 nan 8.370 nan 0.000 0.455 598 Y N -0.604 119.622 120.300 -0.122 0.000 2.397 598 Y HA -0.017 4.639 4.550 0.176 0.000 0.292 598 Y C 2.281 178.232 175.900 0.085 0.000 1.115 598 Y CA 0.137 58.246 58.100 0.015 0.000 1.208 598 Y CB 0.421 38.864 38.460 -0.029 0.000 1.046 598 Y HN 0.033 nan 8.280 nan 0.000 0.552 599 C N -1.014 118.398 119.300 0.188 0.000 3.188 599 C HA 0.146 4.712 4.460 0.176 0.000 0.315 599 C C 0.225 175.261 174.990 0.077 0.000 1.285 599 C CA -0.651 58.440 59.018 0.121 0.000 1.729 599 C CB -0.559 27.228 27.740 0.078 0.000 2.257 599 C HN 0.238 nan 8.230 nan 0.000 0.645 600 D N 1.981 122.420 120.400 0.064 0.000 2.525 600 D HA -0.052 4.693 4.640 0.176 0.000 0.235 600 D C 1.179 177.517 176.300 0.062 0.000 1.137 600 D CA 0.433 54.460 54.000 0.043 0.000 0.868 600 D CB 0.316 41.139 40.800 0.038 0.000 1.180 600 D HN 0.258 nan 8.370 nan 0.000 0.465 601 N N 1.100 119.825 118.700 0.042 0.000 2.149 601 N HA -0.189 4.657 4.740 0.176 0.000 0.188 601 N C 1.031 176.566 175.510 0.041 0.000 1.019 601 N CA 1.262 54.338 53.050 0.044 0.000 0.857 601 N CB 0.154 38.660 38.487 0.032 0.000 0.997 601 N HN 0.352 nan 8.380 nan 0.000 0.426 602 S N -0.708 115.015 115.700 0.038 0.000 2.634 602 S HA 0.263 4.838 4.470 0.176 0.000 0.221 602 S C 1.036 175.659 174.600 0.040 0.000 0.952 602 S CA -0.560 57.659 58.200 0.033 0.000 0.930 602 S CB 0.530 63.749 63.200 0.031 0.000 0.780 602 S HN 0.096 nan 8.310 nan 0.000 0.498 603 R N 0.333 120.874 120.500 0.067 0.000 2.647 603 R HA 0.397 4.843 4.340 0.176 0.000 0.124 603 R C 0.775 177.113 176.300 0.064 0.000 1.294 603 R CA -0.410 55.752 56.100 0.102 0.000 1.060 603 R CB -1.089 29.333 30.300 0.204 0.000 1.282 603 R HN 0.312 nan 8.270 nan 0.000 0.430 604 Y N 1.584 121.996 120.300 0.187 0.000 2.439 604 Y HA 0.012 4.667 4.550 0.175 0.000 0.292 604 Y C 0.637 176.601 175.900 0.107 0.000 1.130 604 Y CA 1.034 59.237 58.100 0.172 0.000 1.254 604 Y CB -0.162 38.465 38.460 0.278 0.000 1.000 604 Y HN 0.536 nan 8.280 nan 0.000 0.554 605 N N 1.034 119.867 118.700 0.222 0.000 2.667 605 N HA -0.220 4.626 4.740 0.176 0.000 0.263 605 N C 0.364 175.951 175.510 0.129 0.000 1.038 605 N CA 0.414 53.548 53.050 0.139 0.000 0.749 605 N CB -1.018 37.523 38.487 0.089 0.000 0.892 605 N HN 0.637 nan 8.380 nan 0.000 0.546 606 I N -2.432 118.222 120.570 0.140 0.000 3.956 606 I HA 0.120 4.395 4.170 0.176 0.000 0.333 606 I C 1.656 177.841 176.117 0.113 0.000 1.302 606 I CA -0.471 60.887 61.300 0.097 0.000 1.122 606 I CB 0.040 38.060 38.000 0.034 0.000 1.013 606 I HN 0.186 nan 8.210 nan 0.000 0.405 607 L N 1.166 122.480 121.223 0.151 0.000 1.989 607 L HA -0.155 4.291 4.340 0.176 0.000 0.211 607 L C 2.696 179.731 176.870 0.275 0.000 1.071 607 L CA 1.775 56.739 54.840 0.207 0.000 0.749 607 L CB -0.523 41.643 42.059 0.178 0.000 0.890 607 L HN 0.342 nan 8.230 nan 0.000 0.431 608 E N -0.009 120.339 120.200 0.247 0.000 2.070 608 E HA -0.281 4.175 4.350 0.176 0.000 0.197 608 E C 2.003 178.614 176.600 0.018 0.000 1.004 608 E CA 1.748 58.236 56.400 0.147 0.000 0.805 608 E CB -0.180 29.569 29.700 0.081 0.000 0.744 608 E HN 0.609 nan 8.360 nan 0.000 0.451 609 E N 0.414 120.619 120.200 0.009 0.000 2.077 609 E HA -0.144 4.312 4.350 0.176 0.000 0.193 609 E C 2.279 178.819 176.600 -0.101 0.000 0.989 609 E CA 1.159 57.520 56.400 -0.064 0.000 0.800 609 E CB -0.017 29.648 29.700 -0.057 0.000 0.746 609 E HN 0.055 nan 8.360 nan 0.000 0.452 610 V N 1.474 121.384 119.914 -0.006 0.000 2.358 610 V HA -0.237 3.989 4.120 0.176 0.000 0.246 610 V C 2.367 178.466 176.094 0.008 0.000 1.047 610 V CA 1.722 64.053 62.300 0.051 0.000 1.035 610 V CB -0.745 31.223 31.823 0.241 0.000 0.658 610 V HN 0.318 nan 8.190 nan 0.000 0.452 611 A N -0.208 122.662 122.820 0.083 0.000 1.908 611 A HA -0.287 4.139 4.320 0.176 0.000 0.218 611 A C 2.300 179.802 177.584 -0.137 0.000 1.181 611 A CA 2.218 54.300 52.037 0.075 0.000 0.627 611 A CB -0.500 18.626 19.000 0.210 0.000 0.818 611 A HN 0.534 nan 8.150 nan 0.000 0.445 612 K N -0.395 119.878 120.400 -0.212 0.000 2.032 612 K HA -0.153 4.272 4.320 0.176 0.000 0.209 612 K C 1.975 178.348 176.600 -0.379 0.000 1.048 612 K CA 1.587 57.706 56.287 -0.280 0.000 0.927 612 K CB -0.132 32.217 32.500 -0.252 0.000 0.712 612 K HN 0.296 nan 8.250 nan 0.000 0.441 613 K N 0.271 120.338 120.400 -0.555 0.000 2.211 613 K HA -0.038 4.388 4.320 0.176 0.000 0.203 613 K C 1.879 177.898 176.600 -0.969 0.000 1.050 613 K CA 1.059 56.733 56.287 -1.022 0.000 0.945 613 K CB -0.032 31.389 32.500 -1.799 0.000 0.732 613 K HN 0.271 nan 8.250 nan 0.000 0.451 614 M N 0.156 119.429 119.600 -0.545 0.000 2.562 614 M HA -0.063 4.523 4.480 0.176 0.000 0.257 614 M C -0.346 175.840 176.300 -0.190 0.000 1.099 614 M CA 0.478 55.610 55.300 -0.280 0.000 1.099 614 M CB -0.306 32.238 32.600 -0.094 0.000 1.427 614 M HN 0.082 nan 8.290 nan 0.000 0.489 615 D N 1.266 121.530 120.400 -0.226 0.000 2.723 615 D HA -0.143 4.602 4.640 0.176 0.000 0.236 615 D C -0.828 175.410 176.300 -0.102 0.000 1.138 615 D CA 0.234 54.136 54.000 -0.165 0.000 0.676 615 D CB -0.704 40.013 40.800 -0.138 0.000 1.069 615 D HN 0.279 nan 8.370 nan 0.000 0.430 616 L N 0.002 121.171 121.223 -0.090 0.000 2.439 616 L HA 0.317 4.763 4.340 0.176 0.000 0.261 616 L C 0.929 177.737 176.870 -0.104 0.000 1.153 616 L CA -0.568 54.255 54.840 -0.028 0.000 0.808 616 L CB 0.504 42.615 42.059 0.086 0.000 1.126 616 L HN 0.094 nan 8.230 nan 0.000 0.460 617 D N 1.809 122.180 120.400 -0.049 0.000 2.344 617 D HA 0.148 4.894 4.640 0.176 0.000 0.253 617 D C 0.296 176.476 176.300 -0.200 0.000 1.255 617 D CA 0.259 54.203 54.000 -0.093 0.000 0.894 617 D CB 0.729 41.520 40.800 -0.015 0.000 1.067 617 D HN 0.345 nan 8.370 nan 0.000 0.492 618 M N 2.882 122.213 119.600 -0.448 0.000 2.493 618 M HA 0.196 4.782 4.480 0.176 0.000 0.244 618 M C 1.653 177.731 176.300 -0.371 0.000 1.182 618 M CA -0.195 54.552 55.300 -0.922 0.000 0.981 618 M CB 0.453 32.313 32.600 -1.234 0.000 1.551 618 M HN 0.281 nan 8.290 nan 0.000 0.476 619 R N 1.567 121.977 120.500 -0.151 0.000 2.073 619 R HA -0.020 4.426 4.340 0.176 0.000 0.229 619 R C 0.004 176.336 176.300 0.053 0.000 1.120 619 R CA 1.027 57.101 56.100 -0.044 0.000 0.967 619 R CB 0.182 30.464 30.300 -0.030 0.000 0.862 619 R HN 0.339 nan 8.270 nan 0.000 0.436 620 K N -0.840 119.634 120.400 0.124 0.000 2.371 620 K HA 0.237 4.663 4.320 0.176 0.000 0.251 620 K C 0.499 177.257 176.600 0.264 0.000 0.934 620 K CA -0.409 55.974 56.287 0.159 0.000 0.798 620 K CB 1.846 34.406 32.500 0.099 0.000 1.204 620 K HN -0.153 nan 8.250 nan 0.000 0.427 621 T N -2.114 112.558 114.554 0.196 0.000 2.833 621 T HA -0.220 4.236 4.350 0.176 0.000 0.269 621 T C 1.779 176.513 174.700 0.058 0.000 1.054 621 T CA 1.688 63.858 62.100 0.116 0.000 1.135 621 T CB -0.513 68.376 68.868 0.035 0.000 0.869 621 T HN 0.619 nan 8.240 nan 0.000 0.466 622 S N 1.986 117.731 115.700 0.075 0.000 2.555 622 S HA -0.034 4.542 4.470 0.176 0.000 0.230 622 S C 2.088 176.728 174.600 0.067 0.000 0.978 622 S CA 0.722 58.952 58.200 0.050 0.000 0.934 622 S CB -0.785 62.442 63.200 0.044 0.000 0.766 622 S HN 0.763 nan 8.310 nan 0.000 0.533 623 S N 1.879 117.652 115.700 0.122 0.000 2.607 623 S HA 0.173 4.749 4.470 0.176 0.000 0.224 623 S C 0.962 175.634 174.600 0.120 0.000 0.969 623 S CA 0.178 58.460 58.200 0.137 0.000 0.927 623 S CB -1.079 62.238 63.200 0.194 0.000 0.772 623 S HN 0.654 nan 8.310 nan 0.000 0.533 624 L N 0.589 121.841 121.223 0.048 0.000 3.737 624 L HA -0.189 4.257 4.340 0.176 0.000 0.418 624 L C 1.669 178.527 176.870 -0.020 0.000 1.216 624 L CA 0.747 55.560 54.840 -0.046 0.000 0.915 624 L CB -2.652 39.396 42.059 -0.018 0.000 1.834 624 L HN 0.742 nan 8.230 nan 0.000 0.943 625 W N 0.179 121.493 121.300 0.024 0.000 2.363 625 W HA -0.147 4.619 4.660 0.176 0.000 0.296 625 W C 1.734 178.274 176.519 0.035 0.000 1.212 625 W CA 1.315 58.676 57.345 0.027 0.000 1.260 625 W CB -0.667 28.800 29.460 0.012 0.000 1.131 625 W HN 0.284 nan 8.180 nan 0.000 0.530 626 K N 1.063 120.944 120.400 -0.866 0.000 2.057 626 K HA -0.165 4.261 4.320 0.176 0.000 0.207 626 K C 1.525 177.986 176.600 -0.232 0.000 1.049 626 K CA 2.364 58.233 56.287 -0.697 0.000 0.931 626 K CB -0.374 31.594 32.500 -0.887 0.000 0.714 626 K HN 0.052 nan 8.250 nan 0.000 0.440 627 D N 0.653 120.938 120.400 -0.193 0.000 2.144 627 D HA -0.142 4.604 4.640 0.176 0.000 0.199 627 D C 2.031 178.338 176.300 0.012 0.000 0.984 627 D CA 1.019 54.974 54.000 -0.076 0.000 0.834 627 D CB 0.028 40.788 40.800 -0.066 0.000 0.955 627 D HN 0.203 nan 8.370 nan 0.000 0.465 628 Q N 0.296 120.130 119.800 0.056 0.000 2.016 628 Q HA -0.096 4.350 4.340 0.176 0.000 0.200 628 Q C 2.398 178.500 176.000 0.170 0.000 0.978 628 Q CA 1.326 57.204 55.803 0.125 0.000 0.833 628 Q CB -0.257 28.576 28.738 0.157 0.000 0.895 628 Q HN 0.305 nan 8.270 nan 0.000 0.427 629 A N 1.125 124.062 122.820 0.196 0.000 1.940 629 A HA -0.202 4.224 4.320 0.176 0.000 0.219 629 A C 2.085 179.793 177.584 0.207 0.000 1.176 629 A CA 1.325 53.507 52.037 0.242 0.000 0.631 629 A CB -0.669 18.496 19.000 0.275 0.000 0.814 629 A HN 0.343 nan 8.150 nan 0.000 0.446 630 L N -0.127 121.169 121.223 0.122 0.000 2.046 630 L HA -0.117 4.329 4.340 0.176 0.000 0.208 630 L C 2.389 179.317 176.870 0.097 0.000 1.077 630 L CA 1.978 56.870 54.840 0.087 0.000 0.747 630 L CB -0.515 41.550 42.059 0.010 0.000 0.896 630 L HN 0.155 nan 8.230 nan 0.000 0.432 631 V N -0.132 119.842 119.914 0.100 0.000 2.295 631 V HA -0.224 4.002 4.120 0.176 0.000 0.246 631 V C 2.644 178.822 176.094 0.139 0.000 1.049 631 V CA 1.813 64.174 62.300 0.103 0.000 1.024 631 V CB -0.729 31.156 31.823 0.103 0.000 0.648 631 V HN 0.460 nan 8.190 nan 0.000 0.447 632 E N -0.002 120.324 120.200 0.210 0.000 2.110 632 E HA -0.170 4.286 4.350 0.176 0.000 0.193 632 E C 2.144 178.884 176.600 0.233 0.000 0.988 632 E CA 1.317 57.895 56.400 0.298 0.000 0.804 632 E CB -0.334 29.613 29.700 0.411 0.000 0.745 632 E HN 0.585 nan 8.360 nan 0.000 0.458 633 I N 1.686 122.410 120.570 0.256 0.000 2.226 633 I HA -0.256 4.020 4.170 0.176 0.000 0.245 633 I C 2.099 178.299 176.117 0.139 0.000 1.100 633 I CA 0.897 62.369 61.300 0.286 0.000 1.374 633 I CB -0.262 37.958 38.000 0.367 0.000 1.057 633 I HN 0.065 nan 8.210 nan 0.000 0.413 634 N N 0.693 119.444 118.700 0.084 0.000 2.270 634 N HA -0.049 4.797 4.740 0.176 0.000 0.181 634 N C 1.997 177.502 175.510 -0.008 0.000 1.016 634 N CA 1.140 54.199 53.050 0.014 0.000 0.870 634 N CB 0.066 38.550 38.487 -0.005 0.000 0.979 634 N HN 0.353 nan 8.380 nan 0.000 0.431 635 I N 1.435 121.993 120.570 -0.020 0.000 2.226 635 I HA -0.241 4.034 4.170 0.176 0.000 0.245 635 I C 2.465 178.466 176.117 -0.193 0.000 1.100 635 I CA 0.836 62.067 61.300 -0.115 0.000 1.374 635 I CB -0.217 37.669 38.000 -0.189 0.000 1.057 635 I HN 0.057 nan 8.210 nan 0.000 0.413 636 A N 0.331 123.003 122.820 -0.247 0.000 1.877 636 A HA -0.157 4.269 4.320 0.176 0.000 0.216 636 A C 2.430 180.005 177.584 -0.014 0.000 1.186 636 A CA 1.733 53.604 52.037 -0.278 0.000 0.620 636 A CB -1.011 17.590 19.000 -0.666 0.000 0.822 636 A HN 0.220 nan 8.150 nan 0.000 0.443 637 V N 0.129 120.056 119.914 0.022 0.000 2.252 637 V HA -0.308 3.918 4.120 0.176 0.000 0.249 637 V C 2.608 178.732 176.094 0.050 0.000 1.056 637 V CA 2.240 64.571 62.300 0.052 0.000 1.022 637 V CB -0.809 30.946 31.823 -0.112 0.000 0.641 637 V HN 0.577 nan 8.190 nan 0.000 0.445 638 L N -1.556 119.662 121.223 -0.010 0.000 2.056 638 L HA -0.201 4.245 4.340 0.176 0.000 0.207 638 L C 2.479 179.397 176.870 0.080 0.000 1.078 638 L CA 1.915 56.760 54.840 0.008 0.000 0.749 638 L CB -0.679 41.380 42.059 -0.001 0.000 0.901 638 L HN 0.433 nan 8.230 nan 0.000 0.433 639 Y N 0.398 120.665 120.300 -0.055 0.000 2.181 639 Y HA -0.263 4.394 4.550 0.177 0.000 0.288 639 Y C 2.725 178.626 175.900 0.000 0.000 1.146 639 Y CA 1.730 59.787 58.100 -0.071 0.000 1.164 639 Y CB -0.219 38.129 38.460 -0.185 0.000 0.982 639 Y HN 0.059 nan 8.280 nan 0.000 0.515 640 S N -0.012 115.680 115.700 -0.013 0.000 2.368 640 S HA -0.135 4.441 4.470 0.176 0.000 0.224 640 S C 1.759 176.342 174.600 -0.027 0.000 1.029 640 S CA 1.375 59.550 58.200 -0.042 0.000 0.988 640 S CB -0.641 62.648 63.200 0.149 0.000 0.838 640 S HN 0.425 nan 8.310 nan 0.000 0.462 641 F N 2.068 121.964 119.950 -0.090 0.000 2.113 641 F HA -0.077 4.556 4.527 0.176 0.000 0.297 641 F C 2.660 178.400 175.800 -0.099 0.000 1.103 641 F CA 1.089 59.054 58.000 -0.057 0.000 1.248 641 F CB -0.763 38.229 39.000 -0.013 0.000 0.999 641 F HN 0.197 nan 8.300 nan 0.000 0.475 642 Q N -0.575 119.263 119.800 0.063 0.000 2.061 642 Q HA -0.183 4.263 4.340 0.176 0.000 0.204 642 Q C 2.336 178.252 176.000 -0.140 0.000 0.984 642 Q CA 1.957 57.734 55.803 -0.043 0.000 0.846 642 Q CB -0.501 28.209 28.738 -0.046 0.000 0.902 642 Q HN 0.258 nan 8.270 nan 0.000 0.421 643 S N 0.928 116.460 115.700 -0.281 0.000 2.399 643 S HA -0.115 4.461 4.470 0.176 0.000 0.231 643 S C 0.913 175.397 174.600 -0.194 0.000 1.022 643 S CA 1.185 59.195 58.200 -0.317 0.000 0.983 643 S CB -0.062 62.798 63.200 -0.567 0.000 0.803 643 S HN 0.306 nan 8.310 nan 0.000 0.480 644 D N 0.258 120.553 120.400 -0.175 0.000 2.328 644 D HA 0.179 4.925 4.640 0.176 0.000 0.221 644 D C 0.237 176.468 176.300 -0.115 0.000 1.072 644 D CA 0.136 54.050 54.000 -0.144 0.000 0.850 644 D CB -0.003 40.688 40.800 -0.182 0.000 0.922 644 D HN 0.013 nan 8.370 nan 0.000 0.516 645 K N -0.264 120.079 120.400 -0.095 0.000 3.148 645 K HA -0.139 4.287 4.320 0.176 0.000 0.267 645 K C -1.196 175.371 176.600 -0.055 0.000 0.996 645 K CA 0.160 56.406 56.287 -0.069 0.000 0.737 645 K CB -1.510 30.950 32.500 -0.066 0.000 1.308 645 K HN -0.013 nan 8.250 nan 0.000 0.470 646 V N 1.532 121.425 119.914 -0.035 0.000 2.384 646 V HA 0.245 4.470 4.120 0.176 0.000 0.287 646 V C 0.583 176.761 176.094 0.139 0.000 1.020 646 V CA -0.705 61.607 62.300 0.019 0.000 0.850 646 V CB 1.824 33.583 31.823 -0.105 0.000 0.987 646 V HN 0.351 nan 8.190 nan 0.000 0.436 647 T N 6.683 121.272 114.554 0.059 0.000 2.849 647 T HA 0.296 4.752 4.350 0.176 0.000 0.289 647 T C -0.232 174.534 174.700 0.110 0.000 1.010 647 T CA 1.002 63.068 62.100 -0.057 0.000 1.161 647 T CB -0.008 68.683 68.868 -0.295 0.000 0.989 647 T HN 0.562 nan 8.240 nan 0.000 0.523 648 I N 2.593 123.180 120.570 0.027 0.000 2.918 648 I HA 0.647 4.923 4.170 0.176 0.000 0.301 648 I C -1.404 174.750 176.117 0.061 0.000 1.312 648 I CA -1.022 60.336 61.300 0.096 0.000 1.007 648 I CB 2.030 40.029 38.000 -0.001 0.000 1.281 648 I HN 0.430 nan 8.210 nan 0.000 0.440 649 V N 4.972 124.988 119.914 0.169 0.000 2.604 649 V HA 0.482 4.708 4.120 0.176 0.000 0.305 649 V C -1.123 175.031 176.094 0.100 0.000 1.043 649 V CA -0.297 62.096 62.300 0.154 0.000 0.888 649 V CB 2.194 34.196 31.823 0.299 0.000 0.995 649 V HN 0.878 nan 8.190 nan 0.000 0.429 650 D N 3.719 124.157 120.400 0.064 0.000 2.354 650 D HA 0.200 4.946 4.640 0.176 0.000 0.247 650 D C 1.209 177.516 176.300 0.011 0.000 1.138 650 D CA 0.049 54.074 54.000 0.042 0.000 0.958 650 D CB 0.521 41.323 40.800 0.003 0.000 1.144 650 D HN 0.726 nan 8.370 nan 0.000 0.458 651 H N -0.065 118.943 119.070 -0.103 0.000 2.491 651 H HA -0.117 4.545 4.556 0.176 0.000 0.290 651 H C 0.912 176.137 175.328 -0.171 0.000 1.050 651 H CA 1.184 57.134 56.048 -0.163 0.000 1.309 651 H CB -0.511 29.101 29.762 -0.249 0.000 1.392 651 H HN 0.517 nan 8.280 nan 0.000 0.554 652 H N 0.828 119.691 119.070 -0.346 0.000 2.307 652 H HA -0.073 4.589 4.556 0.177 0.000 0.303 652 H C 2.485 177.788 175.328 -0.041 0.000 1.073 652 H CA 1.483 57.423 56.048 -0.181 0.000 1.338 652 H CB -0.233 29.394 29.762 -0.224 0.000 1.389 652 H HN 0.406 nan 8.280 nan 0.000 0.503 653 S N 0.653 116.407 115.700 0.089 0.000 2.368 653 S HA -0.132 4.444 4.470 0.176 0.000 0.225 653 S C 2.412 177.082 174.600 0.117 0.000 1.030 653 S CA 1.239 59.495 58.200 0.092 0.000 0.999 653 S CB -0.301 62.944 63.200 0.075 0.000 0.844 653 S HN 0.459 nan 8.310 nan 0.000 0.459 654 A N 0.844 123.735 122.820 0.117 0.000 1.898 654 A HA -0.053 4.373 4.320 0.176 0.000 0.216 654 A C 2.503 180.187 177.584 0.167 0.000 1.181 654 A CA 2.310 54.438 52.037 0.151 0.000 0.620 654 A CB -1.571 17.512 19.000 0.137 0.000 0.819 654 A HN 0.799 nan 8.150 nan 0.000 0.442 655 T N -2.591 112.044 114.554 0.134 0.000 2.857 655 T HA -0.082 4.373 4.350 0.176 0.000 0.266 655 T C 1.747 176.577 174.700 0.218 0.000 1.048 655 T CA 1.266 63.468 62.100 0.169 0.000 1.139 655 T CB -0.299 68.634 68.868 0.108 0.000 0.874 655 T HN 0.539 nan 8.240 nan 0.000 0.455 656 E N 1.150 121.451 120.200 0.168 0.000 2.058 656 E HA -0.149 4.307 4.350 0.176 0.000 0.194 656 E C 2.395 179.087 176.600 0.154 0.000 0.997 656 E CA 1.364 57.854 56.400 0.149 0.000 0.801 656 E CB -0.234 29.535 29.700 0.115 0.000 0.746 656 E HN 0.530 nan 8.360 nan 0.000 0.450 657 S N 0.189 115.988 115.700 0.166 0.000 2.370 657 S HA -0.161 4.415 4.470 0.176 0.000 0.226 657 S C 1.512 176.239 174.600 0.210 0.000 1.033 657 S CA 1.109 59.409 58.200 0.167 0.000 1.011 657 S CB -0.417 62.885 63.200 0.170 0.000 0.852 657 S HN 0.364 nan 8.310 nan 0.000 0.457 658 F N 2.179 122.200 119.950 0.118 0.000 2.171 658 F HA -0.078 4.554 4.527 0.176 0.000 0.300 658 F C 1.808 177.705 175.800 0.161 0.000 1.090 658 F CA 0.941 59.030 58.000 0.150 0.000 1.293 658 F CB -0.212 38.859 39.000 0.118 0.000 1.013 658 F HN 0.098 nan 8.300 nan 0.000 0.486 659 I N 0.670 121.328 120.570 0.147 0.000 2.226 659 I HA -0.285 3.991 4.170 0.176 0.000 0.245 659 I C 2.471 178.567 176.117 -0.036 0.000 1.100 659 I CA 1.402 62.728 61.300 0.043 0.000 1.374 659 I CB -1.308 36.766 38.000 0.124 0.000 1.057 659 I HN 0.202 nan 8.210 nan 0.000 0.413 660 K N 0.004 120.416 120.400 0.020 0.000 2.057 660 K HA -0.262 4.164 4.320 0.176 0.000 0.207 660 K C 2.289 178.884 176.600 -0.008 0.000 1.049 660 K CA 1.644 57.940 56.287 0.015 0.000 0.931 660 K CB -0.237 32.293 32.500 0.050 0.000 0.714 660 K HN 0.313 nan 8.250 nan 0.000 0.440 661 H N 0.661 119.657 119.070 -0.123 0.000 2.321 661 H HA -0.094 4.568 4.556 0.177 0.000 0.300 661 H C 2.149 177.340 175.328 -0.229 0.000 1.087 661 H CA 2.352 58.303 56.048 -0.162 0.000 1.319 661 H CB -0.202 29.451 29.762 -0.182 0.000 1.379 661 H HN 0.113 nan 8.280 nan 0.000 0.501 662 M N 0.175 119.462 119.600 -0.520 0.000 2.082 662 M HA -0.208 4.378 4.480 0.176 0.000 0.258 662 M C 2.006 178.247 176.300 -0.098 0.000 1.069 662 M CA 2.286 57.338 55.300 -0.412 0.000 1.102 662 M CB -0.053 32.311 32.600 -0.392 0.000 1.336 662 M HN 0.461 nan 8.290 nan 0.000 0.404 663 E N -0.161 119.983 120.200 -0.093 0.000 2.153 663 E HA -0.196 4.259 4.350 0.176 0.000 0.194 663 E C 1.626 178.213 176.600 -0.021 0.000 0.988 663 E CA 1.195 57.578 56.400 -0.029 0.000 0.811 663 E CB -0.232 29.443 29.700 -0.042 0.000 0.746 663 E HN 0.575 nan 8.360 nan 0.000 0.466 664 N N 0.936 119.589 118.700 -0.079 0.000 2.142 664 N HA -0.141 4.705 4.740 0.176 0.000 0.186 664 N C 1.641 177.088 175.510 -0.106 0.000 1.023 664 N CA 0.899 53.909 53.050 -0.067 0.000 0.852 664 N CB -0.127 38.336 38.487 -0.039 0.000 0.998 664 N HN 0.176 nan 8.380 nan 0.000 0.424 665 E N 0.237 120.293 120.200 -0.239 0.000 2.106 665 E HA -0.119 4.336 4.350 0.176 0.000 0.192 665 E C 1.891 178.355 176.600 -0.227 0.000 0.984 665 E CA 0.686 56.908 56.400 -0.296 0.000 0.806 665 E CB -0.404 28.991 29.700 -0.509 0.000 0.750 665 E HN 0.480 nan 8.360 nan 0.000 0.458 666 Y N 1.514 121.715 120.300 -0.165 0.000 2.181 666 Y HA -0.188 4.468 4.550 0.177 0.000 0.288 666 Y C 2.594 178.443 175.900 -0.086 0.000 1.146 666 Y CA 1.984 60.021 58.100 -0.105 0.000 1.164 666 Y CB -0.122 38.288 38.460 -0.084 0.000 0.982 666 Y HN 0.095 nan 8.280 nan 0.000 0.515 667 R N -1.744 118.791 120.500 0.059 0.000 2.240 667 R HA 0.025 4.471 4.340 0.176 0.000 0.203 667 R C 1.288 177.579 176.300 -0.015 0.000 1.011 667 R CA 1.446 57.559 56.100 0.021 0.000 1.007 667 R CB -0.868 29.442 30.300 0.017 0.000 0.911 667 R HN 0.270 nan 8.270 nan 0.000 0.468 668 C N -0.515 118.761 119.300 -0.040 0.000 3.230 668 C HA 0.404 4.970 4.460 0.176 0.000 0.300 668 C C 1.873 176.824 174.990 -0.066 0.000 1.292 668 C CA -0.408 58.586 59.018 -0.040 0.000 1.707 668 C CB -0.179 27.551 27.740 -0.016 0.000 2.181 668 C HN 0.538 nan 8.230 nan 0.000 0.655 669 R N -0.232 120.200 120.500 -0.114 0.000 2.582 669 R HA 0.254 4.700 4.340 0.176 0.000 0.285 669 R C 1.365 177.557 176.300 -0.180 0.000 0.940 669 R CA 0.936 56.951 56.100 -0.142 0.000 1.072 669 R CB 0.538 30.729 30.300 -0.181 0.000 1.527 669 R HN 0.354 nan 8.270 nan 0.000 0.538 670 G N 0.100 108.783 108.800 -0.195 0.000 2.143 670 G HA2 -0.170 3.896 3.960 0.176 0.000 0.249 670 G HA3 -0.170 3.896 3.960 0.176 0.000 0.249 670 G C 0.138 174.804 174.900 -0.389 0.000 0.981 670 G CA 0.179 45.146 45.100 -0.222 0.000 0.665 670 G HN 0.795 nan 8.290 nan 0.000 0.528 671 G N -2.439 105.973 108.800 -0.647 0.000 2.320 671 G HA2 0.540 4.605 3.960 0.176 0.000 0.297 671 G HA3 0.540 4.605 3.960 0.176 0.000 0.297 671 G C -0.933 173.494 174.900 -0.787 0.000 1.344 671 G CA 0.363 44.782 45.100 -1.136 0.000 0.851 671 G HN 1.837 nan 8.290 nan 0.000 0.567 672 C N 2.202 121.145 119.300 -0.597 0.000 2.982 672 C HA 0.666 5.232 4.460 0.176 0.000 0.372 672 C C -2.555 172.349 174.990 -0.144 0.000 1.061 672 C CA -1.188 57.667 59.018 -0.272 0.000 1.309 672 C CB 0.804 28.408 27.740 -0.227 0.000 1.766 672 C HN 0.681 nan 8.230 nan 0.000 0.504 673 P HA 0.421 nan 4.420 nan 0.000 0.267 673 P C -0.626 176.573 177.300 -0.168 0.000 1.205 673 P CA 0.600 63.307 63.100 -0.654 0.000 0.765 673 P CB 1.119 32.174 31.700 -1.075 0.000 0.828 674 A N 2.296 125.094 122.820 -0.037 0.000 2.517 674 A HA 0.432 4.858 4.320 0.176 0.000 0.297 674 A C -1.305 176.348 177.584 0.115 0.000 1.050 674 A CA -0.532 51.579 52.037 0.124 0.000 0.694 674 A CB 1.290 20.503 19.000 0.356 0.000 1.277 674 A HN 0.448 nan 8.150 nan 0.000 0.400 675 D N 1.896 122.351 120.400 0.092 0.000 2.454 675 D HA 0.178 4.924 4.640 0.176 0.000 0.225 675 D C 0.712 177.151 176.300 0.232 0.000 1.081 675 D CA -0.515 53.571 54.000 0.143 0.000 0.864 675 D CB 0.426 41.260 40.800 0.057 0.000 1.040 675 D HN 0.591 nan 8.370 nan 0.000 0.517 676 W N 4.061 125.401 121.300 0.066 0.000 2.342 676 W HA -0.222 4.544 4.660 0.177 0.000 0.297 676 W C 1.523 178.074 176.519 0.054 0.000 1.213 676 W CA 1.005 58.373 57.345 0.039 0.000 1.251 676 W CB 0.133 29.593 29.460 0.001 0.000 1.136 676 W HN 0.302 nan 8.180 nan 0.000 0.526 677 V N -0.302 119.918 119.914 0.510 0.000 2.469 677 V HA -0.315 3.911 4.120 0.176 0.000 0.251 677 V C 1.508 177.715 176.094 0.188 0.000 1.064 677 V CA 2.107 64.646 62.300 0.398 0.000 1.066 677 V CB -0.878 31.183 31.823 0.397 0.000 0.667 677 V HN 0.312 nan 8.190 nan 0.000 0.461 678 W N -1.526 119.765 121.300 -0.016 0.000 2.762 678 W HA 0.250 5.015 4.660 0.175 0.000 0.265 678 W C 2.174 178.594 176.519 -0.165 0.000 1.263 678 W CA -0.066 57.239 57.345 -0.066 0.000 1.411 678 W CB -0.053 29.393 29.460 -0.023 0.000 1.065 678 W HN 0.067 nan 8.180 nan 0.000 0.609 679 I N -0.052 120.501 120.570 -0.029 0.000 2.353 679 I HA -0.082 4.194 4.170 0.176 0.000 0.248 679 I C 0.614 176.532 176.117 -0.333 0.000 1.119 679 I CA 0.834 61.984 61.300 -0.250 0.000 1.417 679 I CB -1.427 36.340 38.000 -0.387 0.000 1.078 679 I HN -0.415 nan 8.210 nan 0.000 0.421 680 V N 3.941 123.559 119.914 -0.493 0.000 2.529 680 V HA 0.061 4.287 4.120 0.176 0.000 0.292 680 V C -1.899 174.009 176.094 -0.310 0.000 1.028 680 V CA -0.970 61.015 62.300 -0.525 0.000 1.074 680 V CB 0.016 31.247 31.823 -0.986 0.000 0.958 680 V HN 0.119 nan 8.190 nan 0.000 0.481 681 P HA 0.117 nan 4.420 nan 0.000 0.268 681 P C -1.877 175.296 177.300 -0.213 0.000 1.208 681 P CA -1.015 61.964 63.100 -0.202 0.000 0.777 681 P CB 0.094 31.688 31.700 -0.177 0.000 0.875 682 P HA 0.031 nan 4.420 nan 0.000 0.245 682 P C -0.053 177.136 177.300 -0.184 0.000 1.212 682 P CA 1.014 63.996 63.100 -0.197 0.000 0.774 682 P CB 0.063 31.640 31.700 -0.205 0.000 0.999 683 M N -4.806 114.650 119.600 -0.240 0.000 2.593 683 M HA 0.562 5.147 4.480 0.176 0.000 0.290 683 M C -0.127 176.063 176.300 -0.183 0.000 1.244 683 M CA -0.688 54.488 55.300 -0.207 0.000 0.857 683 M CB 1.964 34.421 32.600 -0.238 0.000 1.738 683 M HN -0.389 nan 8.290 nan 0.000 0.461 684 S N 0.458 116.103 115.700 -0.090 0.000 3.533 684 S HA -0.182 4.394 4.470 0.176 0.000 0.347 684 S C 1.132 175.710 174.600 -0.036 0.000 1.101 684 S CA 0.871 59.057 58.200 -0.022 0.000 1.009 684 S CB -1.901 61.356 63.200 0.095 0.000 0.916 684 S HN 1.208 nan 8.310 nan 0.000 0.496 685 G N 2.182 110.939 108.800 -0.073 0.000 2.599 685 G HA2 -0.347 3.719 3.960 0.176 0.000 0.219 685 G HA3 -0.347 3.719 3.960 0.176 0.000 0.219 685 G C 1.478 176.288 174.900 -0.151 0.000 1.193 685 G CA 1.674 46.754 45.100 -0.034 0.000 0.778 685 G HN 1.271 nan 8.290 nan 0.000 0.589 686 S N 0.715 116.055 115.700 -0.600 0.000 2.515 686 S HA 0.021 4.597 4.470 0.176 0.000 0.231 686 S C 2.146 176.691 174.600 -0.091 0.000 0.987 686 S CA 0.992 58.648 58.200 -0.907 0.000 0.936 686 S CB -0.384 62.067 63.200 -1.247 0.000 0.766 686 S HN 0.783 nan 8.310 nan 0.000 0.528 687 I N 0.912 121.483 120.570 0.001 0.000 3.812 687 I HA 0.242 4.518 4.170 0.176 0.000 0.320 687 I C 0.380 176.625 176.117 0.213 0.000 1.276 687 I CA -0.247 61.133 61.300 0.134 0.000 1.164 687 I CB -0.611 37.464 38.000 0.125 0.000 1.009 687 I HN 0.205 nan 8.210 nan 0.000 0.431 688 T N -1.731 112.942 114.554 0.198 0.000 2.895 688 T HA 0.464 4.919 4.350 0.176 0.000 0.283 688 T C -1.619 173.249 174.700 0.280 0.000 1.014 688 T CA -1.951 60.275 62.100 0.211 0.000 1.037 688 T CB 1.650 70.591 68.868 0.122 0.000 1.006 688 T HN -0.090 nan 8.240 nan 0.000 0.468 689 P HA -0.062 nan 4.420 nan 0.000 0.223 689 P C 1.789 179.290 177.300 0.335 0.000 1.151 689 P CA 0.766 64.050 63.100 0.307 0.000 0.787 689 P CB -0.324 31.504 31.700 0.213 0.000 0.788 690 V N -3.854 116.206 119.914 0.244 0.000 2.626 690 V HA -0.184 4.042 4.120 0.176 0.000 0.252 690 V C 2.321 178.502 176.094 0.145 0.000 1.067 690 V CA 1.090 63.497 62.300 0.178 0.000 1.081 690 V CB -2.194 29.651 31.823 0.036 0.000 0.686 690 V HN -0.113 nan 8.190 nan 0.000 0.468 691 F N 1.842 121.787 119.950 -0.008 0.000 2.126 691 F HA -0.181 4.452 4.527 0.176 0.000 0.299 691 F C 2.448 178.384 175.800 0.227 0.000 1.096 691 F CA 2.316 60.320 58.000 0.006 0.000 1.255 691 F CB -0.225 38.655 39.000 -0.200 0.000 0.997 691 F HN 0.291 nan 8.300 nan 0.000 0.479 692 H N -1.119 118.284 119.070 0.555 0.000 2.526 692 H HA 0.111 4.773 4.556 0.177 0.000 0.274 692 H C 0.212 175.791 175.328 0.418 0.000 0.999 692 H CA 0.123 56.456 56.048 0.475 0.000 1.157 692 H CB -0.108 29.915 29.762 0.434 0.000 1.407 692 H HN 0.242 nan 8.280 nan 0.000 0.568 693 Q N 2.064 122.148 119.800 0.474 0.000 2.340 693 Q HA 0.146 4.592 4.340 0.176 0.000 0.259 693 Q C -0.578 175.659 176.000 0.395 0.000 0.964 693 Q CA -0.409 55.622 55.803 0.379 0.000 0.900 693 Q CB 0.713 29.646 28.738 0.325 0.000 1.228 693 Q HN 0.240 nan 8.270 nan 0.000 0.449 694 E N 3.590 123.972 120.200 0.303 0.000 2.392 694 E HA 0.194 4.649 4.350 0.176 0.000 0.264 694 E C -0.523 176.217 176.600 0.233 0.000 1.024 694 E CA 0.426 56.962 56.400 0.226 0.000 0.903 694 E CB 0.726 30.541 29.700 0.192 0.000 0.963 694 E HN 0.591 nan 8.360 nan 0.000 0.432 695 M N 2.677 122.423 119.600 0.244 0.000 2.446 695 M HA 0.364 4.950 4.480 0.176 0.000 0.294 695 M C -1.038 175.391 176.300 0.216 0.000 1.158 695 M CA -0.636 54.826 55.300 0.270 0.000 0.899 695 M CB 1.755 34.561 32.600 0.343 0.000 1.687 695 M HN 0.232 nan 8.290 nan 0.000 0.455 696 L N 2.135 123.504 121.223 0.244 0.000 2.295 696 L HA 0.493 4.939 4.340 0.176 0.000 0.285 696 L C -0.196 176.798 176.870 0.206 0.000 1.035 696 L CA -0.385 54.603 54.840 0.246 0.000 0.806 696 L CB 1.264 43.517 42.059 0.325 0.000 1.214 696 L HN 0.706 nan 8.230 nan 0.000 0.426 697 N N 3.027 121.831 118.700 0.174 0.000 2.424 697 N HA 0.488 5.334 4.740 0.176 0.000 0.271 697 N C -1.671 173.933 175.510 0.156 0.000 0.985 697 N CA -0.378 52.706 53.050 0.056 0.000 0.921 697 N CB 1.260 39.785 38.487 0.063 0.000 1.149 697 N HN 0.498 nan 8.380 nan 0.000 0.492 698 Y N 0.325 120.652 120.300 0.044 0.000 2.670 698 Y HA 0.518 5.174 4.550 0.177 0.000 0.334 698 Y C -1.282 174.632 175.900 0.022 0.000 1.185 698 Y CA -1.330 56.793 58.100 0.038 0.000 1.053 698 Y CB 0.918 39.414 38.460 0.059 0.000 1.298 698 Y HN 0.161 nan 8.280 nan 0.000 0.459 699 R N 2.353 122.972 120.500 0.198 0.000 2.288 699 R HA 0.592 5.038 4.340 0.176 0.000 0.326 699 R C -1.453 174.912 176.300 0.109 0.000 0.959 699 R CA -0.608 55.541 56.100 0.081 0.000 0.834 699 R CB 1.510 31.843 30.300 0.055 0.000 1.157 699 R HN 0.685 nan 8.270 nan 0.000 0.470 700 L N 0.987 122.246 121.223 0.060 0.000 2.334 700 L HA 0.531 4.976 4.340 0.176 0.000 0.272 700 L C 0.604 177.483 176.870 0.015 0.000 1.020 700 L CA -0.749 54.126 54.840 0.060 0.000 0.812 700 L CB 1.964 44.056 42.059 0.055 0.000 1.264 700 L HN 0.407 nan 8.230 nan 0.000 0.439 701 T N 1.160 115.732 114.554 0.030 0.000 2.918 701 T HA 0.514 4.970 4.350 0.176 0.000 0.286 701 T C -2.550 172.188 174.700 0.064 0.000 1.026 701 T CA -1.767 60.344 62.100 0.017 0.000 1.031 701 T CB 1.813 70.696 68.868 0.024 0.000 1.046 701 T HN 0.239 nan 8.240 nan 0.000 0.479 702 P HA 0.231 nan 4.420 nan 0.000 0.268 702 P C -1.174 176.028 177.300 -0.163 0.000 1.208 702 P CA -0.086 62.966 63.100 -0.080 0.000 0.777 702 P CB 0.461 32.099 31.700 -0.103 0.000 0.875 703 S N 0.095 115.643 115.700 -0.252 0.000 2.596 703 S HA 0.642 5.218 4.470 0.176 0.000 0.270 703 S C -1.229 173.111 174.600 -0.434 0.000 1.155 703 S CA -0.848 57.185 58.200 -0.278 0.000 0.827 703 S CB 0.743 63.869 63.200 -0.124 0.000 1.130 703 S HN 0.126 nan 8.310 nan 0.000 0.467 704 F N 1.353 121.220 119.950 -0.137 0.000 2.408 704 F HA 0.593 5.225 4.527 0.175 0.000 0.344 704 F C 0.901 176.585 175.800 -0.193 0.000 1.112 704 F CA -0.216 57.686 58.000 -0.162 0.000 1.096 704 F CB 1.160 40.022 39.000 -0.230 0.000 1.129 704 F HN 0.469 nan 8.300 nan 0.000 0.486 705 E N 2.208 122.409 120.200 0.003 0.000 2.312 705 E HA 0.270 4.726 4.350 0.176 0.000 0.267 705 E C -1.159 175.348 176.600 -0.155 0.000 0.894 705 E CA -0.923 55.430 56.400 -0.079 0.000 0.773 705 E CB 1.969 31.663 29.700 -0.011 0.000 1.241 705 E HN 0.468 nan 8.360 nan 0.000 0.432 706 Y N 1.074 121.391 120.300 0.027 0.000 2.330 706 Y HA 0.088 4.743 4.550 0.175 0.000 0.341 706 Y C 1.111 177.003 175.900 -0.013 0.000 1.278 706 Y CA 0.315 58.417 58.100 0.004 0.000 1.453 706 Y CB 0.809 39.261 38.460 -0.012 0.000 1.342 706 Y HN 0.305 nan 8.280 nan 0.000 0.590 707 Q N 0.514 120.405 119.800 0.151 0.000 2.482 707 Q HA 0.541 4.987 4.340 0.176 0.000 0.286 707 Q C -3.127 172.844 176.000 -0.048 0.000 1.007 707 Q CA -2.433 53.387 55.803 0.028 0.000 0.801 707 Q CB 1.626 30.361 28.738 -0.006 0.000 1.455 707 Q HN 0.269 nan 8.270 nan 0.000 0.398 708 P HA 0.115 nan 4.420 nan 0.000 0.268 708 P C -0.891 176.200 177.300 -0.349 0.000 1.205 708 P CA -0.084 62.904 63.100 -0.186 0.000 0.771 708 P CB 0.364 31.968 31.700 -0.160 0.000 0.858 709 D N 3.836 123.928 120.400 -0.514 0.000 2.533 709 D HA -0.047 4.699 4.640 0.176 0.000 0.236 709 D C -1.128 174.508 176.300 -1.106 0.000 1.137 709 D CA -0.725 52.674 54.000 -1.002 0.000 0.867 709 D CB 0.327 40.234 40.800 -1.489 0.000 1.170 709 D HN 0.254 nan 8.370 nan 0.000 0.474 710 P HA -0.139 nan 4.420 nan 0.000 0.217 710 P C 1.415 178.167 177.300 -0.913 0.000 1.150 710 P CA 1.118 63.567 63.100 -1.085 0.000 0.832 710 P CB -0.186 30.495 31.700 -1.698 0.000 0.787 711 W N 0.692 121.538 121.300 -0.758 0.000 2.468 711 W HA -0.019 4.742 4.660 0.170 0.000 0.262 711 W C 1.338 177.881 176.519 0.040 0.000 1.241 711 W CA 0.553 57.786 57.345 -0.188 0.000 1.232 711 W CB -2.178 27.352 29.460 0.116 0.000 1.124 711 W HN -0.128 nan 8.180 nan 0.000 0.597 712 N N 0.404 119.036 118.700 -0.113 0.000 2.290 712 N HA -0.059 4.787 4.740 0.176 0.000 0.179 712 N C 1.465 176.967 175.510 -0.012 0.000 1.016 712 N CA 2.059 55.107 53.050 -0.004 0.000 0.871 712 N CB -0.740 37.685 38.487 -0.104 0.000 0.987 712 N HN 0.214 nan 8.380 nan 0.000 0.431 713 T N -0.447 114.045 114.554 -0.103 0.000 2.939 713 T HA -0.047 4.409 4.350 0.176 0.000 0.254 713 T C 0.587 175.281 174.700 -0.010 0.000 1.041 713 T CA 0.224 62.282 62.100 -0.068 0.000 1.142 713 T CB -0.237 68.556 68.868 -0.124 0.000 0.874 713 T HN 0.263 nan 8.240 nan 0.000 0.452 714 H N 2.609 121.611 119.070 -0.113 0.000 2.928 714 H HA 0.281 4.946 4.556 0.181 0.000 0.338 714 H C -0.319 174.974 175.328 -0.058 0.000 1.047 714 H CA -0.478 55.505 56.048 -0.107 0.000 1.435 714 H CB 0.345 30.041 29.762 -0.111 0.000 1.428 714 H HN 0.024 nan 8.280 nan 0.000 0.590 715 V N 3.669 123.191 119.914 -0.654 0.000 2.350 715 V HA 0.269 4.495 4.120 0.176 0.000 0.276 715 V C -0.037 175.663 176.094 -0.656 0.000 1.028 715 V CA -1.137 60.913 62.300 -0.418 0.000 0.860 715 V CB -0.042 31.657 31.823 -0.206 0.000 0.990 715 V HN 0.654 nan 8.190 nan 0.000 0.453 716 W N 0.000 121.170 121.300 -0.217 0.000 2.388 716 W HA 0.000 4.761 4.660 0.168 0.000 0.303 716 W CA 0.000 57.318 57.345 -0.044 0.000 1.226 716 W CB 0.000 29.507 29.460 0.078 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535