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 3jt7_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 0.000 176.270 176.300 -0.050 0.000 0.893 299 R CA 0.000 55.998 56.100 -0.170 0.000 0.921 299 R CB 0.000 30.057 30.300 -0.404 0.000 0.687 300 F N 2.933 122.948 119.950 0.108 0.000 2.404 300 F HA 0.509 5.576 4.527 0.900 0.000 0.345 300 F C 0.033 175.892 175.800 0.099 0.000 1.110 300 F CA -0.903 57.178 58.000 0.133 0.000 1.130 300 F CB 1.322 40.360 39.000 0.063 0.000 1.129 300 F HN -0.104 nan 8.300 nan 0.000 0.500 301 L N 3.350 124.745 121.223 0.285 0.000 2.354 301 L HA 0.504 5.384 4.340 0.900 0.000 0.269 301 L C -0.577 176.356 176.870 0.106 0.000 1.005 301 L CA -0.943 53.953 54.840 0.093 0.000 0.819 301 L CB 2.327 44.315 42.059 -0.119 0.000 1.311 301 L HN 0.577 nan 8.230 nan 0.000 0.423 302 K N 1.708 122.143 120.400 0.059 0.000 2.182 302 K HA 0.662 5.522 4.320 0.900 0.000 0.262 302 K C -1.131 175.477 176.600 0.013 0.000 0.957 302 K CA -0.657 55.647 56.287 0.030 0.000 0.842 302 K CB 2.312 34.816 32.500 0.008 0.000 1.099 302 K HN 0.381 nan 8.250 nan 0.000 0.438 303 V N -0.353 119.541 119.914 -0.034 0.000 2.604 303 V HA 0.572 5.232 4.120 0.900 0.000 0.305 303 V C -0.772 175.257 176.094 -0.108 0.000 1.043 303 V CA -0.971 61.306 62.300 -0.038 0.000 0.888 303 V CB 1.526 33.330 31.823 -0.032 0.000 0.995 303 V HN 0.726 nan 8.190 nan 0.000 0.429 304 K N 3.296 123.642 120.400 -0.091 0.000 2.259 304 K HA 0.445 5.305 4.320 0.900 0.000 0.252 304 K C -0.692 175.800 176.600 -0.180 0.000 0.936 304 K CA -0.655 55.482 56.287 -0.249 0.000 0.810 304 K CB 1.748 33.940 32.500 -0.514 0.000 1.143 304 K HN 0.893 nan 8.250 nan 0.000 0.427 305 N N 3.879 122.475 118.700 -0.175 0.000 2.419 305 N HA 0.083 5.363 4.740 0.900 0.000 0.264 305 N C -0.335 175.120 175.510 -0.090 0.000 1.031 305 N CA -0.238 52.805 53.050 -0.011 0.000 0.951 305 N CB 0.512 39.016 38.487 0.028 0.000 1.101 305 N HN 0.692 nan 8.380 nan 0.000 0.488 306 W N 1.979 123.362 121.300 0.138 0.000 3.139 306 W HA 0.162 5.362 4.660 0.900 0.000 0.260 306 W C 2.056 178.632 176.519 0.095 0.000 1.312 306 W CA -0.218 57.202 57.345 0.125 0.000 1.606 306 W CB 0.387 29.945 29.460 0.164 0.000 1.118 306 W HN 0.668 nan 8.180 nan 0.000 0.675 307 E N -0.060 120.273 120.200 0.221 0.000 2.102 307 E HA -0.126 4.764 4.350 0.900 0.000 0.190 307 E C 1.891 178.501 176.600 0.017 0.000 0.971 307 E CA 1.784 58.203 56.400 0.031 0.000 0.821 307 E CB 0.072 29.698 29.700 -0.124 0.000 0.777 307 E HN 0.202 nan 8.360 nan 0.000 0.460 308 T N -3.013 111.549 114.554 0.013 0.000 3.001 308 T HA 0.136 5.026 4.350 0.900 0.000 0.251 308 T C 0.377 175.045 174.700 -0.052 0.000 1.040 308 T CA 0.499 62.589 62.100 -0.016 0.000 0.985 308 T CB 0.300 69.162 68.868 -0.010 0.000 1.011 308 T HN 0.058 nan 8.240 nan 0.000 0.509 309 D N -0.038 120.304 120.400 -0.096 0.000 2.978 309 D HA -0.131 5.049 4.640 0.900 0.000 0.205 309 D C -0.085 176.115 176.300 -0.166 0.000 1.093 309 D CA 0.668 54.568 54.000 -0.168 0.000 1.006 309 D CB -1.914 38.812 40.800 -0.123 0.000 1.116 309 D HN 0.463 nan 8.370 nan 0.000 0.419 310 V N 0.860 120.699 119.914 -0.124 0.000 2.557 310 V HA 0.091 4.751 4.120 0.900 0.000 0.301 310 V C 0.856 176.853 176.094 -0.162 0.000 1.026 310 V CA 0.228 62.456 62.300 -0.120 0.000 1.137 310 V CB 1.234 33.003 31.823 -0.089 0.000 0.917 310 V HN 0.004 nan 8.190 nan 0.000 0.484 311 V N 7.364 127.184 119.914 -0.157 0.000 2.417 311 V HA 0.510 5.170 4.120 0.900 0.000 0.291 311 V C -0.093 175.900 176.094 -0.167 0.000 1.024 311 V CA -0.513 61.686 62.300 -0.168 0.000 0.861 311 V CB 1.610 33.346 31.823 -0.145 0.000 0.985 311 V HN 0.619 nan 8.190 nan 0.000 0.436 312 L N 3.441 124.524 121.223 -0.234 0.000 2.342 312 L HA 0.671 5.551 4.340 0.900 0.000 0.271 312 L C 0.015 176.794 176.870 -0.153 0.000 1.008 312 L CA -0.451 54.214 54.840 -0.293 0.000 0.818 312 L CB 2.406 44.019 42.059 -0.744 0.000 1.296 312 L HN 0.518 nan 8.230 nan 0.000 0.427 313 T N 0.263 114.833 114.554 0.026 0.000 2.758 313 T HA 0.190 5.080 4.350 0.900 0.000 0.285 313 T C -0.714 174.191 174.700 0.341 0.000 0.981 313 T CA -0.420 61.763 62.100 0.138 0.000 0.965 313 T CB 1.184 70.088 68.868 0.060 0.000 0.927 313 T HN 0.430 nan 8.240 nan 0.000 0.448 314 D N 2.422 123.053 120.400 0.385 0.000 2.274 314 D HA 0.207 5.387 4.640 0.900 0.000 0.239 314 D C 0.864 177.361 176.300 0.329 0.000 1.104 314 D CA -0.314 53.924 54.000 0.397 0.000 0.840 314 D CB 1.504 42.565 40.800 0.435 0.000 1.100 314 D HN 0.623 nan 8.370 nan 0.000 0.477 315 T N 1.029 115.681 114.554 0.163 0.000 2.971 315 T HA -0.022 4.868 4.350 0.900 0.000 0.252 315 T C 1.784 176.413 174.700 -0.119 0.000 1.022 315 T CA -0.254 61.886 62.100 0.067 0.000 0.980 315 T CB 0.148 69.012 68.868 -0.008 0.000 1.044 315 T HN 0.246 nan 8.240 nan 0.000 0.501 316 L N 2.981 124.160 121.223 -0.072 0.000 2.201 316 L HA -0.017 4.863 4.340 0.900 0.000 0.212 316 L C 2.558 179.281 176.870 -0.245 0.000 1.105 316 L CA 1.640 56.420 54.840 -0.099 0.000 0.775 316 L CB -0.829 41.229 42.059 -0.002 0.000 0.913 316 L HN 0.559 nan 8.230 nan 0.000 0.440 317 H N -1.129 117.604 119.070 -0.562 0.000 2.489 317 H HA -0.140 4.956 4.556 0.900 0.000 0.293 317 H C 1.837 176.911 175.328 -0.424 0.000 1.066 317 H CA 1.544 56.966 56.048 -1.043 0.000 1.305 317 H CB -0.643 28.440 29.762 -1.131 0.000 1.386 317 H HN 0.440 nan 8.280 nan 0.000 0.551 318 L N 0.534 121.269 121.223 -0.814 0.000 2.291 318 L HA -0.045 4.835 4.340 0.900 0.000 0.214 318 L C 2.024 178.760 176.870 -0.223 0.000 1.120 318 L CA 0.937 55.488 54.840 -0.481 0.000 0.799 318 L CB -0.173 41.632 42.059 -0.424 0.000 0.925 318 L HN 0.127 nan 8.230 nan 0.000 0.446 319 K N -0.082 120.212 120.400 -0.177 0.000 2.476 319 K HA 0.052 4.912 4.320 0.900 0.000 0.196 319 K C 0.852 177.440 176.600 -0.019 0.000 1.025 319 K CA -0.138 56.105 56.287 -0.072 0.000 1.138 319 K CB 0.182 32.656 32.500 -0.045 0.000 0.860 319 K HN 0.129 nan 8.250 nan 0.000 0.515 320 S N -0.029 115.650 115.700 -0.034 0.000 2.549 320 S HA 0.033 5.043 4.470 0.900 0.000 0.279 320 S C 0.900 175.528 174.600 0.046 0.000 1.321 320 S CA -0.115 58.119 58.200 0.058 0.000 1.054 320 S CB 1.385 64.631 63.200 0.077 0.000 0.899 320 S HN 0.165 nan 8.310 nan 0.000 0.497 321 T N 4.232 118.825 114.554 0.065 0.000 3.286 321 T HA 0.330 5.221 4.350 0.900 0.000 0.237 321 T C 0.660 175.389 174.700 0.047 0.000 0.969 321 T CA -0.020 62.108 62.100 0.046 0.000 1.298 321 T CB -0.551 68.342 68.868 0.041 0.000 1.053 321 T HN 0.623 nan 8.240 nan 0.000 0.402 322 L N 1.900 123.154 121.223 0.051 0.000 2.473 322 L HA 0.356 5.236 4.340 0.900 0.000 0.265 322 L C 0.378 177.281 176.870 0.055 0.000 1.243 322 L CA -0.077 54.790 54.840 0.045 0.000 0.822 322 L CB 0.103 42.182 42.059 0.035 0.000 1.101 322 L HN 0.322 nan 8.230 nan 0.000 0.507 323 E N -1.099 119.129 120.200 0.047 0.000 2.222 323 E HA 0.168 5.058 4.350 0.900 0.000 0.272 323 E C 0.390 177.023 176.600 0.054 0.000 0.982 323 E CA -0.069 56.362 56.400 0.051 0.000 0.842 323 E CB 1.676 31.401 29.700 0.041 0.000 1.144 323 E HN 0.707 nan 8.360 nan 0.000 0.397 324 T N -1.011 113.578 114.554 0.060 0.000 3.035 324 T HA 0.197 5.087 4.350 0.900 0.000 0.259 324 T C 1.411 176.144 174.700 0.055 0.000 1.078 324 T CA 0.576 62.713 62.100 0.063 0.000 1.132 324 T CB 0.150 69.062 68.868 0.073 0.000 0.900 324 T HN 0.753 nan 8.240 nan 0.000 0.480 325 G N 0.354 109.184 108.800 0.050 0.000 2.254 325 G HA2 -0.236 4.264 3.960 0.900 0.000 0.225 325 G HA3 -0.236 4.264 3.960 0.900 0.000 0.225 325 G C 0.319 175.247 174.900 0.046 0.000 1.003 325 G CA -0.179 44.949 45.100 0.047 0.000 0.622 325 G HN 0.758 nan 8.290 nan 0.000 0.507 326 C N 1.790 121.118 119.300 0.047 0.000 2.443 326 C HA 0.845 5.845 4.460 0.900 0.000 0.369 326 C C 1.102 176.115 174.990 0.039 0.000 1.241 326 C CA 0.600 59.643 59.018 0.042 0.000 2.413 326 C CB 0.885 28.649 27.740 0.039 0.000 2.451 326 C HN 0.975 nan 8.230 nan 0.000 0.595 327 T N -1.288 113.288 114.554 0.038 0.000 2.831 327 T HA 0.388 5.278 4.350 0.900 0.000 0.287 327 T C 0.441 175.138 174.700 -0.006 0.000 1.070 327 T CA -0.495 61.624 62.100 0.032 0.000 1.010 327 T CB 0.985 69.895 68.868 0.070 0.000 1.264 327 T HN 0.542 nan 8.240 nan 0.000 0.532 328 E N -0.296 119.866 120.200 -0.062 0.000 2.267 328 E HA -0.108 4.782 4.350 0.900 0.000 0.197 328 E C 1.611 178.063 176.600 -0.247 0.000 0.998 328 E CA 1.329 57.621 56.400 -0.179 0.000 0.830 328 E CB -0.172 29.360 29.700 -0.281 0.000 0.751 328 E HN 0.566 nan 8.360 nan 0.000 0.491 329 H N -1.376 117.697 119.070 0.005 0.000 2.582 329 H HA 0.352 5.448 4.556 0.900 0.000 0.269 329 H C 0.147 175.478 175.328 0.004 0.000 0.962 329 H CA 0.316 56.366 56.048 0.003 0.000 1.230 329 H CB 0.934 30.698 29.762 0.004 0.000 1.445 329 H HN 0.096 nan 8.280 nan 0.000 0.528 330 I N 0.549 121.180 120.570 0.102 0.000 2.649 330 I HA 0.149 4.859 4.170 0.900 0.000 0.289 330 I C -1.110 175.032 176.117 0.042 0.000 1.222 330 I CA -0.589 60.750 61.300 0.066 0.000 1.046 330 I CB 1.650 39.691 38.000 0.068 0.000 1.272 330 I HN -0.010 nan 8.210 nan 0.000 0.425 331 C N 7.757 127.075 119.300 0.029 0.000 2.369 331 C HA 0.515 5.515 4.460 0.900 0.000 0.358 331 C C 0.899 175.910 174.990 0.034 0.000 1.274 331 C CA -0.411 58.622 59.018 0.026 0.000 1.935 331 C CB 0.260 28.007 27.740 0.011 0.000 2.431 331 C HN 0.850 nan 8.230 nan 0.000 0.545 332 M N 5.009 124.635 119.600 0.042 0.000 2.673 332 M HA 0.191 5.211 4.480 0.900 0.000 0.334 332 M C 1.811 178.150 176.300 0.064 0.000 1.211 332 M CA 0.030 55.360 55.300 0.050 0.000 0.962 332 M CB 0.107 32.737 32.600 0.050 0.000 1.343 332 M HN 1.010 nan 8.290 nan 0.000 0.511 333 G N 1.201 110.039 108.800 0.063 0.000 2.485 333 G HA2 -0.225 4.275 3.960 0.900 0.000 0.221 333 G HA3 -0.225 4.275 3.960 0.900 0.000 0.221 333 G C 1.409 176.384 174.900 0.124 0.000 1.115 333 G CA 1.556 46.708 45.100 0.086 0.000 0.751 333 G HN 0.583 nan 8.290 nan 0.000 0.567 334 S N -0.444 115.321 115.700 0.109 0.000 2.557 334 S HA 0.376 5.386 4.470 0.900 0.000 0.223 334 S C 0.597 175.277 174.600 0.132 0.000 0.969 334 S CA -0.658 57.624 58.200 0.136 0.000 0.927 334 S CB 0.177 63.439 63.200 0.103 0.000 0.806 334 S HN 0.019 nan 8.310 nan 0.000 0.489 335 I N 2.825 123.461 120.570 0.111 0.000 2.471 335 I HA 0.194 4.904 4.170 0.900 0.000 0.286 335 I C 1.717 177.908 176.117 0.124 0.000 1.079 335 I CA -0.114 61.244 61.300 0.097 0.000 1.398 335 I CB 0.170 38.210 38.000 0.068 0.000 1.403 335 I HN 0.275 nan 8.210 nan 0.000 0.530 336 M N 5.816 125.491 119.600 0.124 0.000 2.117 336 M HA -0.063 4.957 4.480 0.900 0.000 0.262 336 M C 0.443 176.760 176.300 0.029 0.000 1.065 336 M CA 1.754 57.138 55.300 0.140 0.000 1.114 336 M CB -0.145 32.521 32.600 0.111 0.000 1.361 336 M HN 0.399 nan 8.290 nan 0.000 0.408 337 L N 1.358 122.576 121.223 -0.007 0.000 2.470 337 L HA 0.361 5.241 4.340 0.900 0.000 0.253 337 L C -2.150 174.732 176.870 0.020 0.000 1.163 337 L CA -1.333 53.488 54.840 -0.031 0.000 0.932 337 L CB 0.310 42.298 42.059 -0.117 0.000 1.213 337 L HN 0.066 nan 8.230 nan 0.000 0.485 351 K N 0.318 120.747 120.400 0.049 0.000 2.097 351 K HA -0.111 4.749 4.320 0.900 0.000 0.206 351 K C 1.085 177.732 176.600 0.077 0.000 1.049 351 K CA 1.768 58.093 56.287 0.063 0.000 0.933 351 K CB -0.155 32.369 32.500 0.040 0.000 0.717 351 K HN 0.489 nan 8.250 nan 0.000 0.442 352 D N 1.023 121.458 120.400 0.058 0.000 2.178 352 D HA -0.148 5.032 4.640 0.900 0.000 0.201 352 D C 1.905 178.251 176.300 0.076 0.000 0.980 352 D CA 1.213 55.250 54.000 0.063 0.000 0.842 352 D CB -0.118 40.707 40.800 0.042 0.000 0.948 352 D HN 0.315 nan 8.370 nan 0.000 0.472 353 Q N -0.484 119.355 119.800 0.065 0.000 2.137 353 Q HA 0.017 4.897 4.340 0.900 0.000 0.198 353 Q C 2.025 178.068 176.000 0.071 0.000 0.960 353 Q CA 0.297 56.135 55.803 0.058 0.000 0.847 353 Q CB 0.009 28.773 28.738 0.043 0.000 0.915 353 Q HN 0.165 nan 8.270 nan 0.000 0.448 354 L N 0.004 121.284 121.223 0.094 0.000 2.072 354 L HA -0.081 4.799 4.340 0.900 0.000 0.205 354 L C 1.967 178.903 176.870 0.111 0.000 1.079 354 L CA 1.485 56.393 54.840 0.114 0.000 0.752 354 L CB -0.479 41.669 42.059 0.148 0.000 0.906 354 L HN 0.114 nan 8.230 nan 0.000 0.436 355 F N 0.978 120.930 119.950 0.004 0.000 2.134 355 F HA -0.060 5.007 4.527 0.900 0.000 0.299 355 F C -0.557 175.237 175.800 -0.010 0.000 1.097 355 F CA 1.131 59.111 58.000 -0.033 0.000 1.264 355 F CB -1.491 37.480 39.000 -0.048 0.000 1.001 355 F HN 0.156 nan 8.300 nan 0.000 0.479 356 P HA -0.186 nan 4.420 nan 0.000 0.215 356 P C 2.036 179.255 177.300 -0.136 0.000 1.153 356 P CA 1.728 64.765 63.100 -0.105 0.000 0.853 356 P CB -0.119 31.585 31.700 0.008 0.000 0.788 357 L N -1.116 120.068 121.223 -0.065 0.000 2.027 357 L HA -0.163 4.717 4.340 0.900 0.000 0.206 357 L C 2.543 179.406 176.870 -0.012 0.000 1.074 357 L CA 1.622 56.455 54.840 -0.011 0.000 0.745 357 L CB -1.296 40.782 42.059 0.030 0.000 0.898 357 L HN -0.061 nan 8.230 nan 0.000 0.433 358 A N 0.161 122.915 122.820 -0.110 0.000 1.883 358 A HA -0.283 4.577 4.320 0.900 0.000 0.217 358 A C 2.404 179.851 177.584 -0.228 0.000 1.186 358 A CA 2.179 54.117 52.037 -0.165 0.000 0.624 358 A CB -0.530 18.169 19.000 -0.501 0.000 0.822 358 A HN 0.333 nan 8.150 nan 0.000 0.444 359 K N -0.399 119.662 120.400 -0.564 0.000 2.009 359 K HA -0.227 4.633 4.320 0.900 0.000 0.210 359 K C 2.152 178.683 176.600 -0.115 0.000 1.049 359 K CA 1.718 57.741 56.287 -0.440 0.000 0.929 359 K CB -0.245 31.901 32.500 -0.590 0.000 0.714 359 K HN 0.616 nan 8.250 nan 0.000 0.440 360 E N -0.247 119.914 120.200 -0.065 0.000 2.065 360 E HA -0.256 4.634 4.350 0.900 0.000 0.201 360 E C 1.925 178.590 176.600 0.109 0.000 1.016 360 E CA 1.769 58.193 56.400 0.039 0.000 0.818 360 E CB -0.253 29.476 29.700 0.047 0.000 0.749 360 E HN 0.383 nan 8.360 nan 0.000 0.453 361 F N 1.162 121.118 119.950 0.010 0.000 2.113 361 F HA -0.130 4.938 4.527 0.901 0.000 0.297 361 F C 2.061 177.910 175.800 0.083 0.000 1.103 361 F CA 1.314 59.352 58.000 0.064 0.000 1.248 361 F CB -0.304 38.746 39.000 0.084 0.000 0.999 361 F HN -0.014 nan 8.300 nan 0.000 0.475 362 L N 0.025 121.220 121.223 -0.048 0.000 2.083 362 L HA -0.213 4.667 4.340 0.900 0.000 0.209 362 L C 2.135 178.989 176.870 -0.027 0.000 1.083 362 L CA 1.303 56.112 54.840 -0.052 0.000 0.752 362 L CB -0.925 41.217 42.059 0.139 0.000 0.899 362 L HN 0.104 nan 8.230 nan 0.000 0.433 363 D N 0.149 120.565 120.400 0.028 0.000 2.092 363 D HA -0.240 4.940 4.640 0.900 0.000 0.193 363 D C 2.277 178.603 176.300 0.043 0.000 0.994 363 D CA 1.668 55.725 54.000 0.095 0.000 0.828 363 D CB -0.256 40.700 40.800 0.261 0.000 0.963 363 D HN 0.536 nan 8.370 nan 0.000 0.450 364 Q N -0.629 119.140 119.800 -0.052 0.000 2.167 364 Q HA -0.206 4.674 4.340 0.900 0.000 0.202 364 Q C 2.192 177.984 176.000 -0.346 0.000 0.970 364 Q CA 0.992 56.729 55.803 -0.111 0.000 0.855 364 Q CB -0.663 28.053 28.738 -0.037 0.000 0.911 364 Q HN 0.403 nan 8.270 nan 0.000 0.438 365 Y N 0.714 120.558 120.300 -0.760 0.000 2.114 365 Y HA -0.252 4.839 4.550 0.901 0.000 0.284 365 Y C 1.598 177.021 175.900 -0.795 0.000 1.143 365 Y CA 1.632 59.025 58.100 -1.178 0.000 1.135 365 Y CB -0.474 37.202 38.460 -1.307 0.000 0.980 365 Y HN 0.066 nan 8.280 nan 0.000 0.499 366 Y N -0.759 119.149 120.300 -0.654 0.000 2.274 366 Y HA -0.194 4.896 4.550 0.900 0.000 0.290 366 Y C 3.046 178.702 175.900 -0.406 0.000 1.145 366 Y CA 1.711 59.423 58.100 -0.645 0.000 1.203 366 Y CB -0.657 37.278 38.460 -0.874 0.000 0.984 366 Y HN 0.191 nan 8.280 nan 0.000 0.533 367 S N -0.643 114.992 115.700 -0.110 0.000 2.383 367 S HA -0.186 4.824 4.470 0.900 0.000 0.227 367 S C 2.335 176.839 174.600 -0.160 0.000 1.026 367 S CA 1.368 59.552 58.200 -0.027 0.000 0.981 367 S CB -0.559 62.635 63.200 -0.011 0.000 0.818 367 S HN 0.616 nan 8.310 nan 0.000 0.472 368 S N 1.868 117.396 115.700 -0.286 0.000 2.402 368 S HA -0.056 4.954 4.470 0.900 0.000 0.229 368 S C 1.575 176.018 174.600 -0.262 0.000 1.021 368 S CA 1.095 59.160 58.200 -0.226 0.000 0.974 368 S CB -0.901 62.188 63.200 -0.186 0.000 0.800 368 S HN 0.779 nan 8.310 nan 0.000 0.484 369 I N -2.159 118.147 120.570 -0.441 0.000 3.855 369 I HA 0.424 5.134 4.170 0.900 0.000 0.327 369 I C -0.034 175.965 176.117 -0.196 0.000 1.359 369 I CA -0.667 60.424 61.300 -0.349 0.000 1.142 369 I CB -0.613 37.070 38.000 -0.529 0.000 1.041 369 I HN -0.013 nan 8.210 nan 0.000 0.403 370 K N 1.767 122.085 120.400 -0.138 0.000 3.077 370 K HA -0.185 4.675 4.320 0.900 0.000 0.264 370 K C 0.177 176.776 176.600 -0.003 0.000 1.008 370 K CA 0.675 56.932 56.287 -0.051 0.000 0.740 370 K CB -1.437 31.039 32.500 -0.040 0.000 1.273 370 K HN 0.601 nan 8.250 nan 0.000 0.477 371 R N 0.191 120.703 120.500 0.020 0.000 2.690 371 R HA 0.157 5.037 4.340 0.900 0.000 0.419 371 R C -0.285 176.112 176.300 0.162 0.000 1.090 371 R CA -0.467 55.695 56.100 0.103 0.000 1.064 371 R CB 0.302 30.692 30.300 0.149 0.000 1.391 371 R HN 0.138 nan 8.270 nan 0.000 0.586 372 F N 0.934 120.895 119.950 0.018 0.000 2.538 372 F HA 0.179 5.245 4.527 0.900 0.000 0.371 372 F C 1.506 177.410 175.800 0.174 0.000 1.087 372 F CA 1.706 59.754 58.000 0.081 0.000 1.250 372 F CB 0.838 39.848 39.000 0.017 0.000 1.110 372 F HN 0.457 nan 8.300 nan 0.000 0.570 373 G N 3.176 111.924 108.800 -0.086 0.000 2.168 373 G HA2 -0.314 4.186 3.960 0.900 0.000 0.263 373 G HA3 -0.314 4.186 3.960 0.900 0.000 0.263 373 G C 0.297 175.154 174.900 -0.072 0.000 0.977 373 G CA 0.454 45.471 45.100 -0.139 0.000 0.659 373 G HN 1.159 nan 8.290 nan 0.000 0.533 374 S N -0.775 114.917 115.700 -0.013 0.000 2.600 374 S HA 0.501 5.511 4.470 0.900 0.000 0.265 374 S C 1.435 175.986 174.600 -0.082 0.000 1.325 374 S CA 0.581 58.772 58.200 -0.016 0.000 1.002 374 S CB 1.749 64.972 63.200 0.037 0.000 0.921 374 S HN 0.545 nan 8.310 nan 0.000 0.554 375 K N 1.110 121.475 120.400 -0.058 0.000 2.032 375 K HA -0.143 4.717 4.320 0.900 0.000 0.209 375 K C 2.264 178.809 176.600 -0.092 0.000 1.048 375 K CA 1.544 57.786 56.287 -0.075 0.000 0.927 375 K CB -1.018 31.456 32.500 -0.042 0.000 0.712 375 K HN 0.784 nan 8.250 nan 0.000 0.441 376 A N 0.515 123.307 122.820 -0.047 0.000 1.978 376 A HA -0.252 4.608 4.320 0.900 0.000 0.220 376 A C 2.081 179.519 177.584 -0.243 0.000 1.170 376 A CA 1.916 53.936 52.037 -0.030 0.000 0.636 376 A CB -0.993 18.071 19.000 0.107 0.000 0.810 376 A HN 0.682 nan 8.150 nan 0.000 0.448 377 H N -1.302 117.404 119.070 -0.606 0.000 2.293 377 H HA -0.119 4.977 4.556 0.900 0.000 0.300 377 H C 2.022 176.975 175.328 -0.626 0.000 1.082 377 H CA 1.523 56.884 56.048 -1.145 0.000 1.308 377 H CB -0.069 29.178 29.762 -0.859 0.000 1.375 377 H HN 0.340 nan 8.280 nan 0.000 0.495 378 M N 0.889 120.224 119.600 -0.441 0.000 2.159 378 M HA -0.140 4.880 4.480 0.900 0.000 0.263 378 M C 1.659 177.831 176.300 -0.214 0.000 1.063 378 M CA 1.062 56.140 55.300 -0.371 0.000 1.110 378 M CB -0.788 31.644 32.600 -0.281 0.000 1.374 378 M HN 0.324 nan 8.290 nan 0.000 0.411 379 D N 0.086 120.389 120.400 -0.162 0.000 2.104 379 D HA -0.176 5.004 4.640 0.900 0.000 0.194 379 D C 2.081 178.347 176.300 -0.058 0.000 0.994 379 D CA 1.388 55.335 54.000 -0.087 0.000 0.830 379 D CB -0.300 40.468 40.800 -0.052 0.000 0.959 379 D HN 0.294 nan 8.370 nan 0.000 0.452 380 R N 0.169 120.630 120.500 -0.064 0.000 2.092 380 R HA -0.082 4.799 4.340 0.900 0.000 0.231 380 R C 2.089 178.404 176.300 0.024 0.000 1.119 380 R CA 0.803 56.915 56.100 0.020 0.000 0.970 380 R CB -0.634 29.735 30.300 0.114 0.000 0.864 380 R HN 0.064 nan 8.270 nan 0.000 0.440 381 L N 1.213 122.422 121.223 -0.023 0.000 2.017 381 L HA -0.122 4.758 4.340 0.900 0.000 0.208 381 L C 2.325 179.248 176.870 0.088 0.000 1.073 381 L CA 2.322 57.192 54.840 0.050 0.000 0.745 381 L CB -0.877 41.156 42.059 -0.043 0.000 0.894 381 L HN 0.393 nan 8.230 nan 0.000 0.432 382 E N -0.146 120.045 120.200 -0.015 0.000 2.049 382 E HA -0.307 4.583 4.350 0.900 0.000 0.198 382 E C 2.137 178.717 176.600 -0.034 0.000 1.007 382 E CA 2.046 58.416 56.400 -0.050 0.000 0.809 382 E CB -0.367 29.293 29.700 -0.067 0.000 0.749 382 E HN 0.548 nan 8.360 nan 0.000 0.450 383 E N -0.467 119.730 120.200 -0.005 0.000 2.038 383 E HA -0.194 4.696 4.350 0.900 0.000 0.195 383 E C 2.095 178.711 176.600 0.026 0.000 1.000 383 E CA 1.786 58.194 56.400 0.014 0.000 0.803 383 E CB -0.072 29.651 29.700 0.037 0.000 0.750 383 E HN 0.256 nan 8.360 nan 0.000 0.448 384 V N 2.018 121.957 119.914 0.041 0.000 2.407 384 V HA -0.251 4.409 4.120 0.900 0.000 0.248 384 V C 2.444 178.549 176.094 0.019 0.000 1.055 384 V CA 1.825 64.128 62.300 0.005 0.000 1.049 384 V CB -0.755 30.994 31.823 -0.123 0.000 0.662 384 V HN 0.415 nan 8.190 nan 0.000 0.455 385 N N 0.578 119.291 118.700 0.022 0.000 2.069 385 N HA -0.200 5.080 4.740 0.900 0.000 0.191 385 N C 1.884 177.289 175.510 -0.176 0.000 1.031 385 N CA 1.636 54.531 53.050 -0.259 0.000 0.852 385 N CB -0.077 38.054 38.487 -0.593 0.000 1.018 385 N HN 0.496 nan 8.380 nan 0.000 0.423 386 K N 0.642 120.979 120.400 -0.105 0.000 2.057 386 K HA -0.158 4.702 4.320 0.900 0.000 0.207 386 K C 1.918 178.504 176.600 -0.024 0.000 1.049 386 K CA 1.037 57.283 56.287 -0.067 0.000 0.931 386 K CB -0.156 32.317 32.500 -0.045 0.000 0.714 386 K HN 0.389 nan 8.250 nan 0.000 0.440 387 E N 1.217 121.425 120.200 0.012 0.000 2.106 387 E HA -0.147 4.744 4.350 0.900 0.000 0.192 387 E C 1.972 178.614 176.600 0.071 0.000 0.984 387 E CA 0.732 57.165 56.400 0.056 0.000 0.806 387 E CB 0.032 29.797 29.700 0.107 0.000 0.750 387 E HN 0.228 nan 8.360 nan 0.000 0.458 388 I N 1.063 121.674 120.570 0.069 0.000 2.163 388 I HA -0.220 4.490 4.170 0.900 0.000 0.240 388 I C 2.546 178.683 176.117 0.034 0.000 1.081 388 I CA 0.889 62.240 61.300 0.086 0.000 1.353 388 I CB -0.304 37.760 38.000 0.107 0.000 1.054 388 I HN 0.111 nan 8.210 nan 0.000 0.407 389 E N 0.481 120.673 120.200 -0.015 0.000 2.097 389 E HA -0.254 4.636 4.350 0.900 0.000 0.196 389 E C 2.332 178.926 176.600 -0.011 0.000 1.000 389 E CA 1.948 58.329 56.400 -0.030 0.000 0.804 389 E CB -0.262 29.396 29.700 -0.070 0.000 0.740 389 E HN 0.409 nan 8.360 nan 0.000 0.454 390 S N -0.319 115.379 115.700 -0.003 0.000 2.377 390 S HA -0.081 4.929 4.470 0.900 0.000 0.223 390 S C 2.008 176.617 174.600 0.014 0.000 1.030 390 S CA 1.868 60.070 58.200 0.003 0.000 0.970 390 S CB -0.071 63.131 63.200 0.003 0.000 0.830 390 S HN 0.350 nan 8.310 nan 0.000 0.473 391 T N -1.688 112.883 114.554 0.028 0.000 3.044 391 T HA 0.278 5.168 4.350 0.900 0.000 0.260 391 T C 1.099 175.821 174.700 0.037 0.000 1.019 391 T CA 1.119 63.238 62.100 0.032 0.000 0.921 391 T CB -0.171 68.721 68.868 0.039 0.000 1.053 391 T HN 1.213 nan 8.240 nan 0.000 0.533 392 S N -1.003 114.724 115.700 0.045 0.000 2.829 392 S HA -0.226 4.784 4.470 0.900 0.000 0.267 392 S C 0.352 174.999 174.600 0.078 0.000 1.293 392 S CA 1.654 59.884 58.200 0.051 0.000 1.375 392 S CB -2.675 60.545 63.200 0.032 0.000 1.700 392 S HN 1.085 nan 8.310 nan 0.000 0.668 393 T N -0.022 114.589 114.554 0.096 0.000 2.654 393 T HA 0.747 5.637 4.350 0.900 0.000 0.289 393 T C -1.332 173.513 174.700 0.242 0.000 1.062 393 T CA -0.065 62.113 62.100 0.130 0.000 1.041 393 T CB 1.506 70.384 68.868 0.017 0.000 1.417 393 T HN 1.326 nan 8.240 nan 0.000 0.510 394 Y N -0.746 119.562 120.300 0.013 0.000 2.670 394 Y HA 0.789 5.880 4.550 0.902 0.000 0.334 394 Y C -1.526 174.387 175.900 0.021 0.000 1.185 394 Y CA -1.256 56.862 58.100 0.029 0.000 1.053 394 Y CB 1.091 39.588 38.460 0.062 0.000 1.298 394 Y HN 0.355 nan 8.280 nan 0.000 0.459 395 Q N 2.376 122.197 119.800 0.035 0.000 2.333 395 Q HA 0.463 5.343 4.340 0.900 0.000 0.267 395 Q C -1.009 175.010 176.000 0.032 0.000 1.012 395 Q CA -0.785 54.986 55.803 -0.053 0.000 0.824 395 Q CB 2.903 31.651 28.738 0.016 0.000 1.290 395 Q HN 0.792 nan 8.270 nan 0.000 0.449 396 L N 2.362 123.563 121.223 -0.035 0.000 2.426 396 L HA 0.189 5.069 4.340 0.900 0.000 0.271 396 L C 0.841 177.734 176.870 0.038 0.000 1.169 396 L CA -0.312 54.557 54.840 0.047 0.000 0.836 396 L CB 0.286 42.349 42.059 0.006 0.000 1.112 396 L HN 0.210 nan 8.230 nan 0.000 0.465 397 K N 1.781 122.204 120.400 0.038 0.000 2.319 397 K HA 0.019 4.880 4.320 0.900 0.000 0.265 397 K C 0.389 176.974 176.600 -0.026 0.000 1.000 397 K CA -0.386 55.903 56.287 0.004 0.000 0.943 397 K CB 0.660 33.153 32.500 -0.012 0.000 0.950 397 K HN 0.465 nan 8.250 nan 0.000 0.485 398 D N 0.969 121.357 120.400 -0.019 0.000 2.133 398 D HA -0.169 5.011 4.640 0.900 0.000 0.195 398 D C 1.777 178.064 176.300 -0.022 0.000 0.997 398 D CA 2.187 56.171 54.000 -0.026 0.000 0.840 398 D CB -0.322 40.470 40.800 -0.015 0.000 0.947 398 D HN 0.744 nan 8.370 nan 0.000 0.452 399 T N -0.874 113.667 114.554 -0.021 0.000 2.684 399 T HA -0.179 4.711 4.350 0.900 0.000 0.267 399 T C 1.808 176.488 174.700 -0.034 0.000 1.036 399 T CA 1.337 63.440 62.100 0.005 0.000 1.148 399 T CB -0.478 68.407 68.868 0.028 0.000 0.863 399 T HN 0.244 nan 8.240 nan 0.000 0.436 400 E N 0.928 120.999 120.200 -0.214 0.000 2.072 400 E HA 0.012 4.902 4.350 0.900 0.000 0.191 400 E C 2.154 178.846 176.600 0.154 0.000 0.985 400 E CA 0.922 57.222 56.400 -0.167 0.000 0.801 400 E CB -0.326 29.300 29.700 -0.123 0.000 0.750 400 E HN 0.324 nan 8.360 nan 0.000 0.452 401 L N 1.151 122.386 121.223 0.019 0.000 2.012 401 L HA -0.190 4.690 4.340 0.900 0.000 0.210 401 L C 2.106 178.962 176.870 -0.024 0.000 1.073 401 L CA 1.587 56.387 54.840 -0.067 0.000 0.748 401 L CB -0.196 41.779 42.059 -0.140 0.000 0.891 401 L HN 0.110 nan 8.230 nan 0.000 0.431 402 I N -1.732 118.855 120.570 0.027 0.000 2.179 402 I HA -0.345 4.365 4.170 0.900 0.000 0.242 402 I C 2.388 178.609 176.117 0.174 0.000 1.088 402 I CA 1.785 63.118 61.300 0.055 0.000 1.357 402 I CB -0.507 37.523 38.000 0.049 0.000 1.051 402 I HN 0.368 nan 8.210 nan 0.000 0.409 403 Y N 1.631 122.028 120.300 0.161 0.000 2.181 403 Y HA -0.198 4.892 4.550 0.900 0.000 0.288 403 Y C 2.383 178.493 175.900 0.351 0.000 1.146 403 Y CA 1.698 59.980 58.100 0.302 0.000 1.164 403 Y CB -0.721 37.932 38.460 0.322 0.000 0.982 403 Y HN 0.084 nan 8.280 nan 0.000 0.515 404 G N -0.123 108.901 108.800 0.374 0.000 2.421 404 G HA2 -0.264 4.236 3.960 0.900 0.000 0.216 404 G HA3 -0.264 4.236 3.960 0.900 0.000 0.216 404 G C 1.788 176.668 174.900 -0.033 0.000 1.171 404 G CA 0.983 46.195 45.100 0.186 0.000 0.775 404 G HN 0.608 nan 8.290 nan 0.000 0.543 405 A N 0.727 123.514 122.820 -0.055 0.000 1.898 405 A HA 0.046 4.906 4.320 0.900 0.000 0.216 405 A C 2.296 179.909 177.584 0.048 0.000 1.181 405 A CA 1.891 53.874 52.037 -0.090 0.000 0.620 405 A CB -0.333 18.620 19.000 -0.078 0.000 0.819 405 A HN 0.363 nan 8.150 nan 0.000 0.442 406 K N -1.324 119.155 120.400 0.131 0.000 2.097 406 K HA -0.171 4.689 4.320 0.900 0.000 0.206 406 K C 1.893 178.561 176.600 0.113 0.000 1.049 406 K CA 1.754 58.195 56.287 0.257 0.000 0.933 406 K CB -0.274 32.406 32.500 0.300 0.000 0.717 406 K HN 0.655 nan 8.250 nan 0.000 0.442 407 H N -0.314 118.678 119.070 -0.131 0.000 2.436 407 H HA 0.082 5.177 4.556 0.900 0.000 0.294 407 H C 1.872 177.067 175.328 -0.222 0.000 1.048 407 H CA 1.037 56.902 56.048 -0.305 0.000 1.353 407 H CB 0.015 29.487 29.762 -0.483 0.000 1.414 407 H HN 0.232 nan 8.280 nan 0.000 0.536 408 A N 0.530 123.261 122.820 -0.147 0.000 1.908 408 A HA -0.222 4.638 4.320 0.900 0.000 0.218 408 A C 2.031 179.590 177.584 -0.041 0.000 1.181 408 A CA 1.588 53.421 52.037 -0.340 0.000 0.627 408 A CB -0.964 17.450 19.000 -0.977 0.000 0.818 408 A HN 0.608 nan 8.150 nan 0.000 0.445 409 W N 0.756 122.026 121.300 -0.049 0.000 2.379 409 W HA -0.103 5.099 4.660 0.904 0.000 0.307 409 W C 2.355 178.836 176.519 -0.062 0.000 1.200 409 W CA 1.442 58.825 57.345 0.062 0.000 1.297 409 W CB -0.764 28.744 29.460 0.080 0.000 1.140 409 W HN 0.360 nan 8.180 nan 0.000 0.507 410 R N 0.243 120.648 120.500 -0.157 0.000 2.139 410 R HA -0.207 4.673 4.340 0.900 0.000 0.243 410 R C 1.486 177.613 176.300 -0.287 0.000 1.145 410 R CA 1.879 57.651 56.100 -0.547 0.000 0.976 410 R CB -0.467 29.122 30.300 -1.185 0.000 0.866 410 R HN 0.111 nan 8.270 nan 0.000 0.449 411 N N -0.064 118.538 118.700 -0.163 0.000 2.398 411 N HA 0.035 5.315 4.740 0.900 0.000 0.188 411 N C -0.464 175.013 175.510 -0.056 0.000 1.122 411 N CA 0.549 53.530 53.050 -0.116 0.000 0.866 411 N CB 0.642 39.068 38.487 -0.101 0.000 0.970 411 N HN 0.138 nan 8.380 nan 0.000 0.462 412 A N 0.532 123.374 122.820 0.037 0.000 2.655 412 A HA 0.200 5.060 4.320 0.900 0.000 0.297 412 A C 1.263 178.858 177.584 0.019 0.000 1.461 412 A CA -0.160 51.912 52.037 0.058 0.000 1.146 412 A CB -0.182 18.922 19.000 0.172 0.000 1.108 412 A HN 0.102 nan 8.150 nan 0.000 0.550 413 S N 1.694 117.363 115.700 -0.052 0.000 2.419 413 S HA -0.137 4.873 4.470 0.900 0.000 0.235 413 S C 1.811 176.391 174.600 -0.033 0.000 1.019 413 S CA 1.384 59.553 58.200 -0.051 0.000 0.982 413 S CB -0.144 62.995 63.200 -0.101 0.000 0.789 413 S HN 0.801 nan 8.310 nan 0.000 0.490 414 R N -0.498 119.951 120.500 -0.085 0.000 2.317 414 R HA 0.192 5.072 4.340 0.900 0.000 0.208 414 R C 0.159 176.491 176.300 0.054 0.000 0.914 414 R CA -0.084 55.982 56.100 -0.057 0.000 1.060 414 R CB 0.023 30.079 30.300 -0.405 0.000 1.015 414 R HN 0.249 nan 8.270 nan 0.000 0.498 415 C N 0.476 119.796 119.300 0.033 0.000 2.255 415 C HA 0.236 5.236 4.460 0.900 0.000 0.326 415 C C 1.891 176.861 174.990 -0.032 0.000 1.258 415 C CA -0.708 58.355 59.018 0.074 0.000 1.676 415 C CB 0.598 28.458 27.740 0.200 0.000 2.314 415 C HN 0.276 nan 8.230 nan 0.000 0.509 416 V N 5.933 125.776 119.914 -0.119 0.000 3.041 416 V HA 0.159 4.819 4.120 0.900 0.000 0.260 416 V C 1.884 178.015 176.094 0.062 0.000 1.105 416 V CA 2.308 64.432 62.300 -0.293 0.000 1.125 416 V CB -0.169 31.512 31.823 -0.237 0.000 0.730 416 V HN 1.076 nan 8.190 nan 0.000 0.479 417 G N -0.720 108.150 108.800 0.116 0.000 3.314 417 G HA2 0.002 4.502 3.960 0.900 0.000 0.238 417 G HA3 0.002 4.502 3.960 0.900 0.000 0.238 417 G C 1.292 176.255 174.900 0.104 0.000 1.184 417 G CA -0.297 44.884 45.100 0.135 0.000 0.806 417 G HN 0.450 nan 8.290 nan 0.000 0.536 418 R N -0.211 120.308 120.500 0.032 0.000 2.328 418 R HA 0.148 5.028 4.340 0.900 0.000 0.207 418 R C 2.011 177.803 176.300 -0.847 0.000 1.056 418 R CA 0.059 55.904 56.100 -0.425 0.000 1.016 418 R CB -0.167 29.985 30.300 -0.247 0.000 0.872 418 R HN 0.444 nan 8.270 nan 0.000 0.471 419 I N 0.940 121.143 120.570 -0.612 0.000 2.567 419 I HA -0.264 4.446 4.170 0.900 0.000 0.257 419 I C 1.367 177.288 176.117 -0.327 0.000 1.184 419 I CA 1.295 62.325 61.300 -0.450 0.000 1.451 419 I CB 0.165 38.125 38.000 -0.065 0.000 1.089 419 I HN 0.202 nan 8.210 nan 0.000 0.441 420 Q N 0.559 120.132 119.800 -0.378 0.000 2.444 420 Q HA -0.123 4.757 4.340 0.900 0.000 0.206 420 Q C 1.683 177.174 176.000 -0.848 0.000 0.948 420 Q CA 0.620 56.200 55.803 -0.373 0.000 0.946 420 Q CB -0.251 28.464 28.738 -0.039 0.000 1.027 420 Q HN 0.795 nan 8.270 nan 0.000 0.513 421 W N 1.104 121.632 121.300 -1.286 0.000 2.308 421 W HA -0.227 4.973 4.660 0.899 0.000 0.301 421 W C 1.394 177.523 176.519 -0.650 0.000 1.220 421 W CA 1.596 57.977 57.345 -1.606 0.000 1.240 421 W CB -1.274 27.485 29.460 -1.170 0.000 1.142 421 W HN 0.182 nan 8.180 nan 0.000 0.521 422 S N 0.807 115.586 115.700 -1.534 0.000 2.522 422 S HA 0.022 5.032 4.470 0.900 0.000 0.227 422 S C 0.737 175.031 174.600 -0.510 0.000 0.986 422 S CA 0.210 57.642 58.200 -1.280 0.000 0.929 422 S CB -0.445 61.790 63.200 -1.609 0.000 0.769 422 S HN 0.266 nan 8.310 nan 0.000 0.529 423 K N 1.455 121.657 120.400 -0.330 0.000 2.290 423 K HA 0.516 5.376 4.320 0.900 0.000 0.250 423 K C -1.324 175.350 176.600 0.124 0.000 1.092 423 K CA -0.340 55.900 56.287 -0.078 0.000 1.006 423 K CB 0.786 33.265 32.500 -0.036 0.000 1.549 423 K HN 0.242 nan 8.250 nan 0.000 0.436 424 L N 1.718 123.001 121.223 0.100 0.000 2.470 424 L HA 0.269 5.149 4.340 0.900 0.000 0.268 424 L C -1.367 175.493 176.870 -0.016 0.000 0.964 424 L CA -0.553 54.379 54.840 0.153 0.000 0.839 424 L CB 2.020 44.255 42.059 0.294 0.000 1.276 424 L HN 0.312 nan 8.230 nan 0.000 0.403 425 Q N 3.203 122.942 119.800 -0.103 0.000 2.294 425 Q HA 0.569 5.449 4.340 0.900 0.000 0.257 425 Q C -1.582 174.096 176.000 -0.536 0.000 0.955 425 Q CA -0.173 55.411 55.803 -0.365 0.000 0.936 425 Q CB 1.356 29.800 28.738 -0.489 0.000 1.188 425 Q HN 0.539 nan 8.270 nan 0.000 0.420 426 V N 5.898 125.503 119.914 -0.514 0.000 2.370 426 V HA 0.427 5.087 4.120 0.900 0.000 0.279 426 V C -0.722 175.043 176.094 -0.548 0.000 1.029 426 V CA -0.549 61.505 62.300 -0.410 0.000 0.870 426 V CB 0.541 32.236 31.823 -0.213 0.000 0.984 426 V HN 0.644 nan 8.190 nan 0.000 0.451 427 F N 2.586 122.421 119.950 -0.191 0.000 2.361 427 F HA 0.368 5.439 4.527 0.908 0.000 0.364 427 F C 0.461 176.105 175.800 -0.259 0.000 1.117 427 F CA -1.125 56.758 58.000 -0.195 0.000 1.071 427 F CB 1.112 40.014 39.000 -0.165 0.000 1.188 427 F HN 0.436 nan 8.300 nan 0.000 0.464 428 D N 3.336 123.712 120.400 -0.040 0.000 2.374 428 D HA 0.311 5.491 4.640 0.900 0.000 0.240 428 D C 0.306 176.444 176.300 -0.271 0.000 1.229 428 D CA 0.157 54.060 54.000 -0.162 0.000 0.895 428 D CB 0.989 41.734 40.800 -0.093 0.000 1.046 428 D HN 0.602 nan 8.370 nan 0.000 0.498 429 A N 4.541 127.010 122.820 -0.585 0.000 2.610 429 A HA 0.142 5.002 4.320 0.900 0.000 0.286 429 A C 1.640 178.907 177.584 -0.527 0.000 1.306 429 A CA -0.377 51.055 52.037 -1.009 0.000 0.942 429 A CB -0.036 17.773 19.000 -1.985 0.000 1.112 429 A HN 0.533 nan 8.150 nan 0.000 0.527 430 R N 0.488 120.819 120.500 -0.282 0.000 2.328 430 R HA -0.084 4.796 4.340 0.900 0.000 0.207 430 R C 0.695 176.944 176.300 -0.085 0.000 1.056 430 R CA 1.179 57.186 56.100 -0.155 0.000 1.016 430 R CB -0.009 30.252 30.300 -0.065 0.000 0.872 430 R HN 0.665 nan 8.270 nan 0.000 0.471 431 D N -0.637 119.742 120.400 -0.034 0.000 2.340 431 D HA -0.063 5.117 4.640 0.900 0.000 0.220 431 D C 0.324 176.700 176.300 0.127 0.000 1.039 431 D CA -0.231 53.804 54.000 0.059 0.000 0.866 431 D CB -0.438 40.419 40.800 0.095 0.000 0.913 431 D HN -0.001 nan 8.370 nan 0.000 0.523 432 C N 1.369 120.737 119.300 0.114 0.000 2.637 432 C HA 0.424 5.424 4.460 0.900 0.000 0.418 432 C C 1.879 177.048 174.990 0.298 0.000 1.319 432 C CA 0.763 59.942 59.018 0.268 0.000 1.949 432 C CB -0.074 27.875 27.740 0.348 0.000 2.639 432 C HN 0.577 nan 8.230 nan 0.000 0.594 433 T N 0.470 115.244 114.554 0.365 0.000 2.966 433 T HA 0.249 5.139 4.350 0.900 0.000 0.254 433 T C 0.416 175.319 174.700 0.337 0.000 0.961 433 T CA 0.629 62.965 62.100 0.393 0.000 0.915 433 T CB -0.110 68.904 68.868 0.243 0.000 1.186 433 T HN 0.846 nan 8.240 nan 0.000 0.505 434 T N -1.573 113.161 114.554 0.300 0.000 2.907 434 T HA 0.820 5.710 4.350 0.900 0.000 0.290 434 T C 1.348 176.174 174.700 0.211 0.000 1.066 434 T CA -0.253 61.980 62.100 0.221 0.000 1.012 434 T CB 1.538 70.546 68.868 0.233 0.000 1.184 434 T HN 0.087 nan 8.240 nan 0.000 0.522 435 A N -0.210 122.717 122.820 0.178 0.000 1.968 435 A HA 0.050 4.910 4.320 0.900 0.000 0.217 435 A C 1.934 179.467 177.584 -0.085 0.000 1.169 435 A CA 1.366 53.460 52.037 0.096 0.000 0.638 435 A CB -1.316 17.799 19.000 0.192 0.000 0.812 435 A HN 0.986 nan 8.150 nan 0.000 0.446 436 H N -0.368 118.756 119.070 0.091 0.000 2.321 436 H HA -0.030 5.306 4.556 1.300 0.000 0.300 436 H C 2.398 177.721 175.328 -0.008 0.000 1.087 436 H CA 1.645 57.681 56.048 -0.020 0.000 1.319 436 H CB -0.492 29.366 29.762 0.160 0.000 1.379 436 H HN 0.462 nan 8.280 nan 0.000 0.501 437 G N 0.340 109.267 108.800 0.213 0.000 2.476 437 G HA2 -0.317 4.183 3.960 0.900 0.000 0.218 437 G HA3 -0.317 4.183 3.960 0.900 0.000 0.218 437 G C 1.658 176.737 174.900 0.297 0.000 1.164 437 G CA 1.320 46.557 45.100 0.229 0.000 0.768 437 G HN 0.291 nan 8.290 nan 0.000 0.560 438 M N -0.599 119.127 119.600 0.209 0.000 2.080 438 M HA 0.018 5.038 4.480 0.900 0.000 0.260 438 M C 2.346 178.705 176.300 0.099 0.000 1.068 438 M CA 1.447 56.818 55.300 0.119 0.000 1.109 438 M CB -0.462 31.987 32.600 -0.252 0.000 1.342 438 M HN 0.311 nan 8.290 nan 0.000 0.405 439 F N 1.269 121.015 119.950 -0.341 0.000 2.126 439 F HA -0.319 4.834 4.527 1.043 0.000 0.299 439 F C 2.138 177.837 175.800 -0.168 0.000 1.096 439 F CA 1.950 59.691 58.000 -0.432 0.000 1.255 439 F CB -0.235 38.113 39.000 -1.086 0.000 0.997 439 F HN 0.182 nan 8.300 nan 0.000 0.479 440 N N -0.338 118.192 118.700 -0.282 0.000 2.084 440 N HA -0.257 5.023 4.740 0.900 0.000 0.190 440 N C 1.787 177.134 175.510 -0.271 0.000 1.030 440 N CA 2.003 54.844 53.050 -0.350 0.000 0.849 440 N CB -0.778 37.575 38.487 -0.222 0.000 1.012 440 N HN 0.489 nan 8.380 nan 0.000 0.423 441 Y N 0.207 120.457 120.300 -0.083 0.000 2.207 441 Y HA -0.105 4.981 4.550 0.893 0.000 0.287 441 Y C 2.131 177.993 175.900 -0.062 0.000 1.156 441 Y CA 1.117 59.185 58.100 -0.053 0.000 1.182 441 Y CB -0.062 38.471 38.460 0.121 0.000 0.979 441 Y HN 0.129 nan 8.280 nan 0.000 0.521 442 I N -1.617 119.034 120.570 0.135 0.000 2.286 442 I HA -0.312 4.398 4.170 0.900 0.000 0.245 442 I C 2.222 178.301 176.117 -0.064 0.000 1.104 442 I CA 0.716 62.050 61.300 0.057 0.000 1.397 442 I CB -0.396 37.645 38.000 0.068 0.000 1.072 442 I HN 0.282 nan 8.210 nan 0.000 0.417 443 C N 0.780 119.931 119.300 -0.249 0.000 2.429 443 C HA -0.134 4.866 4.460 0.900 0.000 0.277 443 C C 2.577 177.485 174.990 -0.138 0.000 1.262 443 C CA 0.770 59.639 59.018 -0.249 0.000 1.733 443 C CB -1.466 26.004 27.740 -0.450 0.000 2.010 443 C HN 0.548 nan 8.230 nan 0.000 0.483 444 N N -0.006 118.590 118.700 -0.173 0.000 2.188 444 N HA -0.128 5.152 4.740 0.900 0.000 0.184 444 N C 1.438 176.869 175.510 -0.132 0.000 1.018 444 N CA 1.411 54.350 53.050 -0.185 0.000 0.858 444 N CB -0.811 37.489 38.487 -0.312 0.000 0.989 444 N HN 0.766 nan 8.380 nan 0.000 0.426 445 H N 0.371 119.318 119.070 -0.206 0.000 2.293 445 H HA -0.029 5.068 4.556 0.901 0.000 0.300 445 H C 1.861 177.240 175.328 0.086 0.000 1.082 445 H CA 1.755 57.775 56.048 -0.048 0.000 1.308 445 H CB 0.006 29.783 29.762 0.025 0.000 1.375 445 H HN -0.106 nan 8.280 nan 0.000 0.495 446 V N 1.069 121.150 119.914 0.277 0.000 2.282 446 V HA -0.308 4.353 4.120 0.900 0.000 0.249 446 V C 2.525 178.707 176.094 0.147 0.000 1.057 446 V CA 2.389 64.804 62.300 0.192 0.000 1.032 446 V CB -0.597 31.264 31.823 0.064 0.000 0.645 446 V HN 0.449 nan 8.190 nan 0.000 0.447 447 K N -1.077 119.378 120.400 0.091 0.000 2.026 447 K HA -0.237 4.623 4.320 0.900 0.000 0.208 447 K C 2.274 178.930 176.600 0.093 0.000 1.048 447 K CA 1.946 58.272 56.287 0.065 0.000 0.929 447 K CB -0.371 32.144 32.500 0.024 0.000 0.713 447 K HN 0.527 nan 8.250 nan 0.000 0.439 448 Y N 0.756 121.072 120.300 0.026 0.000 2.128 448 Y HA -0.237 4.852 4.550 0.898 0.000 0.284 448 Y C 1.983 177.937 175.900 0.090 0.000 1.154 448 Y CA 1.919 60.060 58.100 0.068 0.000 1.149 448 Y CB -0.397 38.144 38.460 0.135 0.000 0.976 448 Y HN 0.169 nan 8.280 nan 0.000 0.505 449 A N -0.892 122.054 122.820 0.211 0.000 1.897 449 A HA -0.123 4.737 4.320 0.900 0.000 0.215 449 A C 2.209 179.836 177.584 0.071 0.000 1.181 449 A CA 2.040 54.167 52.037 0.149 0.000 0.620 449 A CB -1.266 17.887 19.000 0.255 0.000 0.821 449 A HN 0.503 nan 8.150 nan 0.000 0.443 450 T N -0.113 114.491 114.554 0.084 0.000 2.674 450 T HA -0.133 4.757 4.350 0.900 0.000 0.265 450 T C 1.108 175.809 174.700 0.002 0.000 1.039 450 T CA 1.473 63.613 62.100 0.066 0.000 1.150 450 T CB -0.417 68.493 68.868 0.070 0.000 0.864 450 T HN 0.647 nan 8.240 nan 0.000 0.427 451 N N 1.029 119.702 118.700 -0.046 0.000 2.727 451 N HA -0.227 5.053 4.740 0.900 0.000 0.249 451 N C -0.266 175.212 175.510 -0.055 0.000 1.048 451 N CA 0.834 53.829 53.050 -0.091 0.000 0.714 451 N CB -1.536 36.850 38.487 -0.168 0.000 0.959 451 N HN 0.613 nan 8.380 nan 0.000 0.544 452 K N -2.745 117.637 120.400 -0.030 0.000 3.130 452 K HA -0.225 4.635 4.320 0.900 0.000 0.282 452 K C 1.016 177.598 176.600 -0.030 0.000 1.145 452 K CA 1.058 57.329 56.287 -0.026 0.000 0.831 452 K CB -1.787 30.694 32.500 -0.030 0.000 1.226 452 K HN 0.991 nan 8.250 nan 0.000 0.478 453 G N 0.713 109.501 108.800 -0.019 0.000 2.238 453 G HA2 -0.313 4.187 3.960 0.900 0.000 0.217 453 G HA3 -0.313 4.187 3.960 0.900 0.000 0.217 453 G C -0.163 174.719 174.900 -0.030 0.000 0.996 453 G CA 0.123 45.212 45.100 -0.018 0.000 0.632 453 G HN 0.469 nan 8.290 nan 0.000 0.503 454 N N 1.496 120.165 118.700 -0.052 0.000 2.868 454 N HA 0.431 5.711 4.740 0.900 0.000 0.252 454 N C 0.609 176.075 175.510 -0.073 0.000 1.130 454 N CA -0.487 52.512 53.050 -0.085 0.000 1.026 454 N CB -0.126 38.309 38.487 -0.088 0.000 1.335 454 N HN 0.312 nan 8.380 nan 0.000 0.516 455 L N 2.274 123.473 121.223 -0.040 0.000 2.461 455 L HA 0.252 5.132 4.340 0.900 0.000 0.272 455 L C 0.568 177.531 176.870 0.155 0.000 1.197 455 L CA 0.165 55.059 54.840 0.089 0.000 0.836 455 L CB 0.530 42.740 42.059 0.253 0.000 1.105 455 L HN 0.399 nan 8.230 nan 0.000 0.477 456 R N 1.250 121.853 120.500 0.172 0.000 2.532 456 R HA 0.328 5.208 4.340 0.900 0.000 0.297 456 R C -0.759 175.697 176.300 0.261 0.000 0.984 456 R CA -0.615 55.610 56.100 0.208 0.000 0.884 456 R CB 2.114 32.401 30.300 -0.021 0.000 1.182 456 R HN 0.568 nan 8.270 nan 0.000 0.442 457 S N 1.468 117.333 115.700 0.274 0.000 2.560 457 S HA 0.431 5.441 4.470 0.900 0.000 0.284 457 S C -0.202 174.447 174.600 0.081 0.000 1.327 457 S CA -0.133 58.127 58.200 0.101 0.000 1.055 457 S CB 1.123 64.339 63.200 0.027 0.000 0.868 457 S HN 0.699 nan 8.310 nan 0.000 0.506 458 A N 2.445 125.262 122.820 -0.004 0.000 2.612 458 A HA 0.812 5.672 4.320 0.900 0.000 0.293 458 A C -1.274 176.319 177.584 0.016 0.000 1.075 458 A CA -0.661 51.309 52.037 -0.111 0.000 0.680 458 A CB 1.153 20.002 19.000 -0.252 0.000 1.279 458 A HN 0.795 nan 8.150 nan 0.000 0.411 459 I N 0.309 120.892 120.570 0.021 0.000 2.686 459 I HA 0.685 5.395 4.170 0.900 0.000 0.295 459 I C -1.079 175.163 176.117 0.208 0.000 1.114 459 I CA -0.106 61.331 61.300 0.229 0.000 1.038 459 I CB 2.455 40.533 38.000 0.131 0.000 1.238 459 I HN 0.596 nan 8.210 nan 0.000 0.420 460 T N 7.751 122.467 114.554 0.269 0.000 2.792 460 T HA 0.577 5.467 4.350 0.900 0.000 0.280 460 T C -0.466 174.073 174.700 -0.269 0.000 0.990 460 T CA -0.219 61.896 62.100 0.025 0.000 0.960 460 T CB 0.926 69.825 68.868 0.052 0.000 0.939 460 T HN 0.303 nan 8.240 nan 0.000 0.439 461 I N 4.165 124.470 120.570 -0.443 0.000 2.359 461 I HA 0.397 5.107 4.170 0.900 0.000 0.284 461 I C -0.419 175.364 176.117 -0.557 0.000 1.018 461 I CA -0.690 60.365 61.300 -0.409 0.000 1.173 461 I CB 0.609 38.349 38.000 -0.433 0.000 1.326 461 I HN 0.467 nan 8.210 nan 0.000 0.462 462 F N 6.594 126.462 119.950 -0.137 0.000 2.399 462 F HA 0.382 5.453 4.527 0.907 0.000 0.313 462 F C -1.821 173.850 175.800 -0.216 0.000 1.202 462 F CA -2.163 55.670 58.000 -0.278 0.000 1.192 462 F CB -0.291 38.556 39.000 -0.256 0.000 1.256 462 F HN 0.223 nan 8.300 nan 0.000 0.558 463 P HA 0.000 nan 4.420 nan 0.000 0.266 463 P C -0.963 176.288 177.300 -0.081 0.000 1.195 463 P CA -0.224 62.733 63.100 -0.239 0.000 0.768 463 P CB 0.250 31.675 31.700 -0.459 0.000 0.838 464 Q N 2.873 122.563 119.800 -0.184 0.000 2.492 464 Q HA 0.107 4.987 4.340 0.900 0.000 0.238 464 Q C 0.172 176.045 176.000 -0.212 0.000 1.045 464 Q CA -0.502 54.981 55.803 -0.534 0.000 0.934 464 Q CB 0.642 28.796 28.738 -0.974 0.000 1.276 464 Q HN 0.323 nan 8.270 nan 0.000 0.521 465 R N 0.375 120.750 120.500 -0.207 0.000 2.640 465 R HA -0.007 4.873 4.340 0.900 0.000 0.270 465 R C 0.207 176.464 176.300 -0.071 0.000 1.024 465 R CA 1.116 57.176 56.100 -0.066 0.000 1.085 465 R CB 0.509 30.767 30.300 -0.070 0.000 0.963 465 R HN 0.969 nan 8.270 nan 0.000 0.426 466 T N -0.700 113.856 114.554 0.003 0.000 3.330 466 T HA 0.021 4.911 4.350 0.900 0.000 0.185 466 T C 0.829 175.538 174.700 0.015 0.000 0.874 466 T CA 0.206 62.301 62.100 -0.007 0.000 1.268 466 T CB -0.330 68.531 68.868 -0.012 0.000 1.866 466 T HN 0.708 nan 8.240 nan 0.000 0.395 467 D N 0.874 121.308 120.400 0.057 0.000 2.339 467 D HA 0.307 5.487 4.640 0.900 0.000 0.217 467 D C 1.604 177.951 176.300 0.078 0.000 1.050 467 D CA 0.573 54.614 54.000 0.069 0.000 0.856 467 D CB -0.480 40.376 40.800 0.092 0.000 0.922 467 D HN 0.966 nan 8.370 nan 0.000 0.518 468 G N 0.758 109.606 108.800 0.080 0.000 2.184 468 G HA2 -0.381 4.119 3.960 0.900 0.000 0.264 468 G HA3 -0.381 4.119 3.960 0.900 0.000 0.264 468 G C 1.020 175.946 174.900 0.043 0.000 0.975 468 G CA 0.501 45.632 45.100 0.051 0.000 0.642 468 G HN 0.463 nan 8.290 nan 0.000 0.536 469 K N -0.545 119.901 120.400 0.076 0.000 2.358 469 K HA 0.225 5.085 4.320 0.900 0.000 0.197 469 K C 0.501 176.956 176.600 -0.242 0.000 1.025 469 K CA 0.200 56.450 56.287 -0.062 0.000 1.104 469 K CB 0.297 32.747 32.500 -0.083 0.000 0.855 469 K HN 0.545 nan 8.250 nan 0.000 0.531 470 H N 0.071 119.146 119.070 0.009 0.000 2.562 470 H HA 0.178 5.273 4.556 0.898 0.000 0.249 470 H C -1.142 174.190 175.328 0.008 0.000 1.195 470 H CA -0.772 55.274 56.048 -0.003 0.000 0.938 470 H CB 0.203 29.979 29.762 0.024 0.000 1.891 470 H HN -0.031 nan 8.280 nan 0.000 0.595 471 D N 0.468 120.915 120.400 0.079 0.000 2.424 471 D HA 0.030 5.210 4.640 0.900 0.000 0.244 471 D C -0.063 176.273 176.300 0.059 0.000 1.134 471 D CA 0.263 54.333 54.000 0.117 0.000 0.881 471 D CB 0.498 41.344 40.800 0.077 0.000 1.191 471 D HN 0.124 nan 8.370 nan 0.000 0.445 472 F N 2.529 122.515 119.950 0.060 0.000 2.410 472 F HA 0.377 5.439 4.527 0.893 0.000 0.348 472 F C 1.027 176.853 175.800 0.043 0.000 1.106 472 F CA -0.195 57.825 58.000 0.033 0.000 1.163 472 F CB 0.719 39.740 39.000 0.035 0.000 1.129 472 F HN -0.133 nan 8.300 nan 0.000 0.516 473 R N 1.938 122.544 120.500 0.177 0.000 2.651 473 R HA 0.505 5.385 4.340 0.900 0.000 0.278 473 R C -1.670 174.754 176.300 0.208 0.000 1.010 473 R CA -0.975 55.233 56.100 0.180 0.000 0.896 473 R CB 1.998 32.394 30.300 0.161 0.000 1.211 473 R HN 0.349 nan 8.270 nan 0.000 0.456 474 V N 2.950 122.966 119.914 0.171 0.000 2.364 474 V HA 0.126 4.786 4.120 0.900 0.000 0.272 474 V C 0.453 176.723 176.094 0.292 0.000 1.036 474 V CA -0.377 62.033 62.300 0.184 0.000 0.880 474 V CB 1.047 32.919 31.823 0.082 0.000 0.991 474 V HN 0.729 nan 8.190 nan 0.000 0.460 475 W N 2.416 123.773 121.300 0.095 0.000 2.436 475 W HA -0.007 5.208 4.660 0.925 0.000 0.284 475 W C 1.124 177.713 176.519 0.118 0.000 1.225 475 W CA -0.235 57.258 57.345 0.248 0.000 1.271 475 W CB -0.737 29.005 29.460 0.470 0.000 1.114 475 W HN 0.541 nan 8.180 nan 0.000 0.559 476 N N 0.115 118.843 118.700 0.045 0.000 2.374 476 N HA -0.023 5.257 4.740 0.900 0.000 0.241 476 N C 1.344 176.665 175.510 -0.315 0.000 1.262 476 N CA 1.022 53.725 53.050 -0.580 0.000 0.880 476 N CB 0.481 38.750 38.487 -0.364 0.000 1.105 476 N HN -0.078 nan 8.380 nan 0.000 0.438 477 S N 0.290 115.776 115.700 -0.357 0.000 2.425 477 S HA 0.001 5.011 4.470 0.900 0.000 0.225 477 S C 0.263 174.760 174.600 -0.172 0.000 1.024 477 S CA 0.503 58.599 58.200 -0.174 0.000 0.951 477 S CB 0.061 63.205 63.200 -0.093 0.000 0.796 477 S HN 0.647 nan 8.310 nan 0.000 0.498 478 Q N -0.488 119.188 119.800 -0.207 0.000 2.423 478 Q HA 0.526 5.406 4.340 0.900 0.000 0.278 478 Q C 0.265 176.118 176.000 -0.244 0.000 1.097 478 Q CA -0.560 55.117 55.803 -0.210 0.000 0.809 478 Q CB 2.027 30.682 28.738 -0.138 0.000 1.391 478 Q HN 0.091 nan 8.270 nan 0.000 0.428 479 L N 0.535 121.616 121.223 -0.238 0.000 2.042 479 L HA -0.059 4.821 4.340 0.900 0.000 0.210 479 L C 0.600 177.313 176.870 -0.261 0.000 1.076 479 L CA 1.407 56.122 54.840 -0.208 0.000 0.749 479 L CB -0.119 41.822 42.059 -0.197 0.000 0.893 479 L HN 0.506 nan 8.230 nan 0.000 0.432 480 I N -0.122 120.209 120.570 -0.399 0.000 2.362 480 I HA 0.342 5.052 4.170 0.900 0.000 0.289 480 I C -0.207 175.295 176.117 -1.024 0.000 0.994 480 I CA -0.269 60.622 61.300 -0.682 0.000 1.158 480 I CB 1.352 38.889 38.000 -0.772 0.000 1.315 480 I HN 0.105 nan 8.210 nan 0.000 0.451 481 R N 4.237 124.269 120.500 -0.780 0.000 2.734 481 R HA 0.507 5.387 4.340 0.900 0.000 0.271 481 R C -1.665 174.364 176.300 -0.451 0.000 1.021 481 R CA -1.040 54.689 56.100 -0.618 0.000 0.893 481 R CB 2.374 32.541 30.300 -0.222 0.000 1.244 481 R HN 0.373 nan 8.270 nan 0.000 0.464 482 Y N 0.160 120.477 120.300 0.028 0.000 2.352 482 Y HA 0.490 5.580 4.550 0.901 0.000 0.326 482 Y C 0.771 176.739 175.900 0.113 0.000 1.166 482 Y CA -0.835 57.347 58.100 0.137 0.000 1.182 482 Y CB 1.556 40.197 38.460 0.302 0.000 1.216 482 Y HN 0.618 nan 8.280 nan 0.000 0.474 483 A N 1.563 124.547 122.820 0.274 0.000 2.386 483 A HA 0.577 5.437 4.320 0.900 0.000 0.248 483 A C 0.402 177.896 177.584 -0.150 0.000 1.082 483 A CA 0.260 52.304 52.037 0.011 0.000 0.789 483 A CB -0.175 18.841 19.000 0.027 0.000 1.025 483 A HN 0.885 nan 8.150 nan 0.000 0.490 484 G N -0.330 108.262 108.800 -0.346 0.000 2.566 484 G HA2 0.593 5.093 3.960 0.900 0.000 0.311 484 G HA3 0.593 5.093 3.960 0.900 0.000 0.311 484 G C -1.412 173.216 174.900 -0.455 0.000 1.322 484 G CA -0.303 44.624 45.100 -0.289 0.000 0.969 484 G HN 0.551 nan 8.290 nan 0.000 0.490 485 Y N 0.813 121.131 120.300 0.030 0.000 2.373 485 Y HA 0.406 5.494 4.550 0.898 0.000 0.336 485 Y C 0.480 176.379 175.900 -0.002 0.000 0.979 485 Y CA -1.019 57.093 58.100 0.021 0.000 1.080 485 Y CB 2.372 40.843 38.460 0.018 0.000 1.190 485 Y HN 0.266 nan 8.280 nan 0.000 0.446 486 K N 3.627 124.110 120.400 0.138 0.000 2.339 486 K HA 0.215 5.075 4.320 0.900 0.000 0.286 486 K C -0.389 176.252 176.600 0.069 0.000 1.050 486 K CA -0.526 55.806 56.287 0.076 0.000 0.956 486 K CB 0.690 33.216 32.500 0.045 0.000 0.990 486 K HN 0.582 nan 8.250 nan 0.000 0.475 487 Q N 2.758 122.584 119.800 0.043 0.000 2.222 487 Q HA 0.140 5.020 4.340 0.900 0.000 0.252 487 Q C -1.759 174.245 176.000 0.008 0.000 0.926 487 Q CA -1.897 53.918 55.803 0.020 0.000 0.899 487 Q CB 1.115 29.860 28.738 0.011 0.000 1.250 487 Q HN 0.342 nan 8.270 nan 0.000 0.441 488 P HA -0.240 nan 4.420 nan 0.000 0.216 488 P C 0.962 178.258 177.300 -0.006 0.000 1.157 488 P CA 1.611 64.707 63.100 -0.007 0.000 0.880 488 P CB 0.200 31.891 31.700 -0.014 0.000 0.791 489 D N -1.064 119.332 120.400 -0.007 0.000 2.192 489 D HA -0.210 4.970 4.640 0.900 0.000 0.189 489 D C 1.589 177.888 176.300 -0.002 0.000 1.007 489 D CA 2.813 56.809 54.000 -0.006 0.000 0.859 489 D CB -0.895 39.900 40.800 -0.008 0.000 0.936 489 D HN 0.304 nan 8.370 nan 0.000 0.447 490 G N -1.530 107.271 108.800 0.002 0.000 2.480 490 G HA2 -0.161 4.339 3.960 0.900 0.000 0.193 490 G HA3 -0.161 4.339 3.960 0.900 0.000 0.193 490 G C 0.457 175.361 174.900 0.007 0.000 1.004 490 G CA 0.669 45.771 45.100 0.004 0.000 0.696 490 G HN 0.880 nan 8.290 nan 0.000 0.478 491 S N 0.016 115.719 115.700 0.005 0.000 2.640 491 S HA 0.680 5.690 4.470 0.900 0.000 0.262 491 S C 0.043 174.649 174.600 0.011 0.000 1.232 491 S CA 0.611 58.814 58.200 0.005 0.000 0.988 491 S CB 1.464 64.665 63.200 0.002 0.000 1.034 491 S HN 0.544 nan 8.310 nan 0.000 0.569 492 T N 1.386 115.942 114.554 0.003 0.000 2.792 492 T HA 0.511 5.401 4.350 0.900 0.000 0.280 492 T C -0.794 173.908 174.700 0.003 0.000 0.990 492 T CA -0.488 61.616 62.100 0.007 0.000 0.960 492 T CB 1.015 69.872 68.868 -0.018 0.000 0.939 492 T HN 0.546 nan 8.240 nan 0.000 0.439 493 L N 3.849 125.107 121.223 0.059 0.000 2.289 493 L HA 0.717 5.597 4.340 0.900 0.000 0.285 493 L C 0.767 177.690 176.870 0.089 0.000 1.049 493 L CA 1.186 56.069 54.840 0.072 0.000 0.804 493 L CB -0.075 42.047 42.059 0.105 0.000 1.195 493 L HN 0.965 nan 8.230 nan 0.000 0.428 494 G N 3.977 112.753 108.800 -0.038 0.000 2.488 494 G HA2 -0.242 4.259 3.960 0.900 0.000 0.237 494 G HA3 -0.242 4.259 3.960 0.900 0.000 0.237 494 G C -0.695 173.928 174.900 -0.462 0.000 1.209 494 G CA 0.046 45.084 45.100 -0.103 0.000 0.929 494 G HN 0.837 nan 8.290 nan 0.000 0.578 495 D N 1.728 121.986 120.400 -0.237 0.000 2.380 495 D HA 0.552 5.732 4.640 0.900 0.000 0.230 495 D C -1.001 175.230 176.300 -0.116 0.000 1.154 495 D CA -1.971 51.873 54.000 -0.261 0.000 0.859 495 D CB 1.357 42.323 40.800 0.277 0.000 1.045 495 D HN -0.008 nan 8.370 nan 0.000 0.495 496 P HA -0.069 nan 4.420 nan 0.000 0.222 496 P C 0.921 178.227 177.300 0.010 0.000 1.147 496 P CA 0.794 63.860 63.100 -0.056 0.000 0.790 496 P CB 0.247 31.915 31.700 -0.053 0.000 0.780 497 A N -0.430 122.423 122.820 0.054 0.000 2.125 497 A HA -0.140 4.720 4.320 0.900 0.000 0.219 497 A C 1.647 179.288 177.584 0.094 0.000 1.156 497 A CA 1.420 53.513 52.037 0.093 0.000 0.671 497 A CB -0.844 18.240 19.000 0.140 0.000 0.794 497 A HN 0.167 nan 8.150 nan 0.000 0.459 498 N N -0.756 117.990 118.700 0.077 0.000 2.204 498 N HA 0.133 5.413 4.740 0.900 0.000 0.219 498 N C 1.114 176.647 175.510 0.039 0.000 1.151 498 N CA 0.215 53.317 53.050 0.088 0.000 0.867 498 N CB 0.678 39.229 38.487 0.106 0.000 1.043 498 N HN 0.186 nan 8.380 nan 0.000 0.516 499 V N 1.190 121.105 119.914 0.002 0.000 2.255 499 V HA -0.270 4.390 4.120 0.900 0.000 0.247 499 V C 2.597 178.664 176.094 -0.045 0.000 1.051 499 V CA 1.875 64.153 62.300 -0.037 0.000 1.018 499 V CB -0.349 31.464 31.823 -0.017 0.000 0.641 499 V HN 0.369 nan 8.190 nan 0.000 0.445 500 Q N -1.174 118.608 119.800 -0.031 0.000 2.079 500 Q HA -0.227 4.653 4.340 0.900 0.000 0.200 500 Q C 2.177 178.044 176.000 -0.222 0.000 0.974 500 Q CA 2.078 57.812 55.803 -0.114 0.000 0.840 500 Q CB -0.185 28.498 28.738 -0.092 0.000 0.898 500 Q HN 0.631 nan 8.270 nan 0.000 0.430 501 F N 0.932 120.701 119.950 -0.302 0.000 2.134 501 F HA -0.192 4.871 4.527 0.893 0.000 0.299 501 F C 2.124 177.801 175.800 -0.205 0.000 1.097 501 F CA 1.929 59.733 58.000 -0.327 0.000 1.264 501 F CB -0.541 38.361 39.000 -0.163 0.000 1.001 501 F HN 0.015 nan 8.300 nan 0.000 0.479 502 T N 0.113 114.578 114.554 -0.149 0.000 2.665 502 T HA -0.247 4.643 4.350 0.900 0.000 0.268 502 T C 1.747 176.360 174.700 -0.145 0.000 1.035 502 T CA 1.934 63.928 62.100 -0.177 0.000 1.151 502 T CB -0.440 68.331 68.868 -0.162 0.000 0.862 502 T HN 0.401 nan 8.240 nan 0.000 0.438 503 E N 0.391 120.509 120.200 -0.137 0.000 2.118 503 E HA -0.075 4.815 4.350 0.900 0.000 0.195 503 E C 2.174 178.681 176.600 -0.156 0.000 0.992 503 E CA 0.896 57.234 56.400 -0.103 0.000 0.804 503 E CB -0.292 29.351 29.700 -0.095 0.000 0.741 503 E HN 0.500 nan 8.360 nan 0.000 0.458 504 I N 0.492 120.898 120.570 -0.273 0.000 2.252 504 I HA -0.303 4.408 4.170 0.900 0.000 0.245 504 I C 2.407 178.361 176.117 -0.272 0.000 1.102 504 I CA 0.577 61.719 61.300 -0.264 0.000 1.385 504 I CB -0.236 37.576 38.000 -0.313 0.000 1.064 504 I HN 0.253 nan 8.210 nan 0.000 0.414 505 C N 0.849 119.900 119.300 -0.416 0.000 2.413 505 C HA -0.166 4.834 4.460 0.900 0.000 0.276 505 C C 2.725 177.706 174.990 -0.016 0.000 1.236 505 C CA 0.704 59.540 59.018 -0.304 0.000 1.735 505 C CB -0.855 26.607 27.740 -0.463 0.000 2.031 505 C HN 0.427 nan 8.230 nan 0.000 0.474 506 I N 0.583 121.184 120.570 0.052 0.000 2.179 506 I HA -0.284 4.426 4.170 0.900 0.000 0.242 506 I C 2.801 178.913 176.117 -0.009 0.000 1.088 506 I CA 1.874 63.225 61.300 0.085 0.000 1.357 506 I CB -0.809 37.240 38.000 0.082 0.000 1.051 506 I HN 0.477 nan 8.210 nan 0.000 0.409 507 Q N 0.707 120.471 119.800 -0.060 0.000 2.181 507 Q HA -0.261 4.619 4.340 0.900 0.000 0.205 507 Q C 1.945 177.876 176.000 -0.115 0.000 0.980 507 Q CA 1.436 57.181 55.803 -0.097 0.000 0.862 507 Q CB 0.035 28.697 28.738 -0.126 0.000 0.905 507 Q HN 0.475 nan 8.270 nan 0.000 0.429 508 Q N -1.238 118.496 119.800 -0.110 0.000 2.444 508 Q HA 0.086 4.966 4.340 0.900 0.000 0.206 508 Q C 1.019 176.972 176.000 -0.078 0.000 0.948 508 Q CA 1.011 56.747 55.803 -0.112 0.000 0.946 508 Q CB 1.123 29.784 28.738 -0.129 0.000 1.027 508 Q HN 0.645 nan 8.270 nan 0.000 0.513 509 G N -0.477 108.301 108.800 -0.036 0.000 2.229 509 G HA2 -0.200 4.300 3.960 0.900 0.000 0.189 509 G HA3 -0.200 4.300 3.960 0.900 0.000 0.189 509 G C -0.433 174.496 174.900 0.048 0.000 1.000 509 G CA -0.330 44.759 45.100 -0.018 0.000 0.663 509 G HN 0.266 nan 8.290 nan 0.000 0.493 510 W N 3.552 124.781 121.300 -0.118 0.000 2.385 510 W HA 0.487 5.682 4.660 0.891 0.000 0.336 510 W C 0.493 176.981 176.519 -0.053 0.000 1.351 510 W CA 0.004 57.295 57.345 -0.090 0.000 1.295 510 W CB 0.423 29.827 29.460 -0.093 0.000 1.239 510 W HN 0.092 nan 8.180 nan 0.000 0.565 511 K N 6.107 126.237 120.400 -0.451 0.000 2.273 511 K HA 0.453 5.313 4.320 0.900 0.000 0.287 511 K C 0.119 176.069 176.600 -1.084 0.000 1.089 511 K CA -0.383 55.579 56.287 -0.542 0.000 0.909 511 K CB 0.323 32.627 32.500 -0.327 0.000 1.123 511 K HN 0.464 nan 8.250 nan 0.000 0.473 512 A N 4.436 126.671 122.820 -0.976 0.000 2.366 512 A HA 0.272 5.132 4.320 0.900 0.000 0.272 512 A C -1.636 175.598 177.584 -0.584 0.000 1.135 512 A CA -1.225 50.129 52.037 -1.137 0.000 0.804 512 A CB 0.215 18.968 19.000 -0.410 0.000 1.064 512 A HN 0.515 nan 8.150 nan 0.000 0.499 513 P HA 0.016 nan 4.420 nan 0.000 0.229 513 P C -0.114 177.035 177.300 -0.252 0.000 1.160 513 P CA 0.077 63.044 63.100 -0.223 0.000 0.777 513 P CB 0.076 31.736 31.700 -0.066 0.000 0.814 514 R N -0.967 119.279 120.500 -0.424 0.000 3.264 514 R HA -0.104 4.776 4.340 0.900 0.000 0.251 514 R C 0.609 176.684 176.300 -0.375 0.000 0.971 514 R CA 0.311 55.910 56.100 -0.835 0.000 0.658 514 R CB -2.316 27.561 30.300 -0.705 0.000 1.095 514 R HN 0.348 nan 8.270 nan 0.000 0.443 515 G N -0.716 108.033 108.800 -0.086 0.000 2.820 515 G HA2 0.415 4.915 3.960 0.900 0.000 0.291 515 G HA3 0.415 4.915 3.960 0.900 0.000 0.291 515 G C 0.250 175.223 174.900 0.123 0.000 1.323 515 G CA -0.592 44.529 45.100 0.036 0.000 1.055 515 G HN 0.221 nan 8.290 nan 0.000 0.520 516 R N -1.462 119.049 120.500 0.018 0.000 2.153 516 R HA 0.170 5.050 4.340 0.900 0.000 0.218 516 R C 0.040 176.059 176.300 -0.468 0.000 1.072 516 R CA 0.824 56.797 56.100 -0.212 0.000 0.990 516 R CB -0.080 30.004 30.300 -0.361 0.000 0.889 516 R HN 0.375 nan 8.270 nan 0.000 0.452 517 F N 1.139 121.117 119.950 0.047 0.000 2.623 517 F HA 0.273 5.339 4.527 0.898 0.000 0.361 517 F C -1.078 174.787 175.800 0.108 0.000 1.469 517 F CA -1.125 56.698 58.000 -0.296 0.000 1.126 517 F CB 0.895 39.509 39.000 -0.643 0.000 1.221 517 F HN -0.208 nan 8.300 nan 0.000 0.536 518 D N 1.727 122.403 120.400 0.459 0.000 2.316 518 D HA 0.152 5.332 4.640 0.900 0.000 0.245 518 D C 0.268 176.902 176.300 0.557 0.000 1.171 518 D CA 0.069 54.383 54.000 0.523 0.000 0.856 518 D CB 2.064 43.224 40.800 0.599 0.000 1.090 518 D HN -0.046 nan 8.370 nan 0.000 0.476 519 V N 3.803 123.986 119.914 0.448 0.000 2.493 519 V HA -0.065 4.595 4.120 0.900 0.000 0.292 519 V C 1.055 177.199 176.094 0.083 0.000 1.016 519 V CA -0.119 62.296 62.300 0.193 0.000 1.097 519 V CB -0.059 31.828 31.823 0.108 0.000 0.947 519 V HN 0.358 nan 8.190 nan 0.000 0.479 520 L N 8.755 129.926 121.223 -0.087 0.000 2.467 520 L HA 0.255 5.135 4.340 0.900 0.000 0.270 520 L C -1.607 175.059 176.870 -0.339 0.000 1.205 520 L CA -1.192 53.451 54.840 -0.329 0.000 0.828 520 L CB 0.425 42.407 42.059 -0.129 0.000 1.101 520 L HN 0.488 nan 8.230 nan 0.000 0.479 521 P HA 0.175 nan 4.420 nan 0.000 0.276 521 P C -0.919 176.301 177.300 -0.133 0.000 1.252 521 P CA -0.476 62.402 63.100 -0.370 0.000 0.802 521 P CB 0.743 32.075 31.700 -0.614 0.000 1.035 522 L N 1.045 122.263 121.223 -0.009 0.000 2.371 522 L HA 0.337 5.217 4.340 0.900 0.000 0.272 522 L C 0.674 177.599 176.870 0.092 0.000 1.124 522 L CA -0.418 54.484 54.840 0.104 0.000 0.816 522 L CB 0.214 42.376 42.059 0.172 0.000 1.129 522 L HN 0.241 nan 8.230 nan 0.000 0.448 523 L N 4.981 126.304 121.223 0.168 0.000 2.345 523 L HA 0.498 5.378 4.340 0.900 0.000 0.274 523 L C -1.017 175.854 176.870 0.001 0.000 0.999 523 L CA -0.375 54.475 54.840 0.017 0.000 0.849 523 L CB 1.051 43.148 42.059 0.062 0.000 1.220 523 L HN 0.521 nan 8.230 nan 0.000 0.422 524 L N 4.434 125.638 121.223 -0.032 0.000 2.322 524 L HA 0.496 5.376 4.340 0.900 0.000 0.281 524 L C -0.358 176.431 176.870 -0.135 0.000 1.014 524 L CA -0.415 54.420 54.840 -0.008 0.000 0.815 524 L CB 1.987 44.094 42.059 0.080 0.000 1.247 524 L HN 0.554 nan 8.230 nan 0.000 0.421 525 Q N 2.893 122.621 119.800 -0.121 0.000 2.348 525 Q HA 0.701 5.581 4.340 0.900 0.000 0.265 525 Q C -1.317 174.543 176.000 -0.235 0.000 0.998 525 Q CA -0.597 55.099 55.803 -0.179 0.000 0.831 525 Q CB 2.069 30.779 28.738 -0.046 0.000 1.251 525 Q HN 0.774 nan 8.270 nan 0.000 0.456 526 A N 4.278 126.888 122.820 -0.350 0.000 2.318 526 A HA 0.372 5.232 4.320 0.900 0.000 0.324 526 A C 0.133 177.226 177.584 -0.819 0.000 1.170 526 A CA -0.347 51.234 52.037 -0.761 0.000 0.810 526 A CB 0.596 19.402 19.000 -0.324 0.000 1.198 526 A HN 1.138 nan 8.150 nan 0.000 0.484 527 N N 1.246 119.076 118.700 -1.450 0.000 2.725 527 N HA -0.236 5.044 4.740 0.900 0.000 0.249 527 N C 0.972 176.350 175.510 -0.220 0.000 1.103 527 N CA 1.173 53.878 53.050 -0.574 0.000 0.707 527 N CB -0.699 37.658 38.487 -0.217 0.000 1.043 527 N HN 2.247 nan 8.380 nan 0.000 0.553 528 G N -1.132 107.522 108.800 -0.244 0.000 2.168 528 G HA2 -0.338 4.162 3.960 0.900 0.000 0.263 528 G HA3 -0.338 4.162 3.960 0.900 0.000 0.263 528 G C 0.202 175.064 174.900 -0.063 0.000 0.977 528 G CA 0.614 45.639 45.100 -0.126 0.000 0.659 528 G HN 0.605 nan 8.290 nan 0.000 0.533 529 N N 0.993 119.623 118.700 -0.117 0.000 2.354 529 N HA 0.285 5.565 4.740 0.900 0.000 0.246 529 N C 0.034 175.490 175.510 -0.090 0.000 1.285 529 N CA -0.279 52.735 53.050 -0.060 0.000 0.925 529 N CB 0.288 38.732 38.487 -0.072 0.000 1.174 529 N HN 0.160 nan 8.380 nan 0.000 0.478 530 D N 1.244 121.614 120.400 -0.050 0.000 2.443 530 D HA 0.114 5.294 4.640 0.900 0.000 0.239 530 D C -1.841 174.246 176.300 -0.356 0.000 1.136 530 D CA -0.492 53.385 54.000 -0.205 0.000 0.879 530 D CB 0.115 40.965 40.800 0.082 0.000 1.195 530 D HN 0.277 nan 8.370 nan 0.000 0.443 531 P HA 0.141 nan 4.420 nan 0.000 0.272 531 P C -0.600 176.453 177.300 -0.412 0.000 1.230 531 P CA -0.203 62.498 63.100 -0.666 0.000 0.788 531 P CB 1.188 32.044 31.700 -1.407 0.000 0.949 532 E N 0.541 120.548 120.200 -0.320 0.000 2.277 532 E HA 0.480 5.370 4.350 0.900 0.000 0.266 532 E C -0.622 175.672 176.600 -0.511 0.000 0.901 532 E CA -0.997 55.174 56.400 -0.381 0.000 0.782 532 E CB 1.622 31.085 29.700 -0.395 0.000 1.228 532 E HN 0.342 nan 8.360 nan 0.000 0.424 533 L N 2.305 123.138 121.223 -0.649 0.000 2.312 533 L HA 0.490 5.370 4.340 0.900 0.000 0.281 533 L C -0.920 175.341 176.870 -1.014 0.000 1.070 533 L CA -0.262 54.230 54.840 -0.581 0.000 0.805 533 L CB 0.308 42.154 42.059 -0.354 0.000 1.174 533 L HN 0.421 nan 8.230 nan 0.000 0.434 534 F N 0.638 120.374 119.950 -0.357 0.000 2.591 534 F HA 0.339 4.543 4.527 -0.539 0.000 0.309 534 F C -0.143 175.424 175.800 -0.388 0.000 1.098 534 F CA -0.674 56.973 58.000 -0.588 0.000 0.937 534 F CB 1.838 40.150 39.000 -1.145 0.000 1.250 534 F HN 0.354 nan 8.300 nan 0.000 0.447 535 Q N 3.738 123.463 119.800 -0.125 0.000 2.278 535 Q HA 0.513 5.393 4.340 0.900 0.000 0.257 535 Q C -0.645 175.477 176.000 0.203 0.000 0.928 535 Q CA -0.566 55.265 55.803 0.047 0.000 0.932 535 Q CB 1.028 29.831 28.738 0.109 0.000 1.221 535 Q HN 0.694 nan 8.270 nan 0.000 0.434 536 I N 6.492 127.224 120.570 0.271 0.000 2.683 536 I HA 0.031 4.741 4.170 0.900 0.000 0.286 536 I C -1.890 174.369 176.117 0.237 0.000 1.175 536 I CA -1.673 59.828 61.300 0.335 0.000 1.429 536 I CB 0.246 38.345 38.000 0.166 0.000 1.371 536 I HN 0.497 nan 8.210 nan 0.000 0.569 537 P HA -0.017 nan 4.420 nan 0.000 0.258 537 P C -1.961 175.407 177.300 0.113 0.000 1.172 537 P CA -0.671 62.523 63.100 0.158 0.000 0.762 537 P CB 0.057 31.824 31.700 0.111 0.000 0.764 538 P HA -0.226 nan 4.420 nan 0.000 0.216 538 P C 1.342 178.687 177.300 0.074 0.000 1.150 538 P CA 1.440 64.597 63.100 0.096 0.000 0.843 538 P CB -0.189 31.569 31.700 0.098 0.000 0.787 539 E N 0.000 120.239 120.200 0.065 0.000 2.409 539 E HA -0.109 4.781 4.350 0.900 0.000 0.198 539 E C 1.510 178.134 176.600 0.041 0.000 1.024 539 E CA 0.870 57.299 56.400 0.048 0.000 0.861 539 E CB -0.954 28.770 29.700 0.041 0.000 0.788 539 E HN 0.327 nan 8.360 nan 0.000 0.521 540 L N 0.840 122.090 121.223 0.045 0.000 2.529 540 L HA 0.144 5.024 4.340 0.900 0.000 0.223 540 L C 0.551 177.445 176.870 0.040 0.000 1.113 540 L CA -0.084 54.778 54.840 0.035 0.000 0.861 540 L CB 0.581 42.654 42.059 0.023 0.000 1.012 540 L HN -0.121 nan 8.230 nan 0.000 0.461 541 V N 2.467 122.409 119.914 0.047 0.000 2.284 541 V HA 0.117 4.777 4.120 0.900 0.000 0.260 541 V C 0.104 176.234 176.094 0.059 0.000 1.084 541 V CA -0.527 61.800 62.300 0.046 0.000 0.894 541 V CB 0.962 32.808 31.823 0.038 0.000 1.119 541 V HN 0.081 nan 8.190 nan 0.000 0.484 542 L N 5.566 126.826 121.223 0.061 0.000 2.418 542 L HA 0.386 5.266 4.340 0.900 0.000 0.274 542 L C 0.160 177.068 176.870 0.063 0.000 1.135 542 L CA 0.814 55.681 54.840 0.046 0.000 0.870 542 L CB 0.112 42.189 42.059 0.030 0.000 1.154 542 L HN 0.643 nan 8.230 nan 0.000 0.462 543 E N 3.439 123.660 120.200 0.034 0.000 2.277 543 E HA 0.608 5.499 4.350 0.900 0.000 0.266 543 E C -1.404 175.154 176.600 -0.071 0.000 0.901 543 E CA -1.057 55.366 56.400 0.039 0.000 0.782 543 E CB 2.469 32.227 29.700 0.096 0.000 1.228 543 E HN 0.414 nan 8.360 nan 0.000 0.424 544 V N 3.318 123.160 119.914 -0.121 0.000 2.407 544 V HA 0.303 4.963 4.120 0.900 0.000 0.291 544 V C -2.304 173.763 176.094 -0.045 0.000 1.018 544 V CA -1.968 60.211 62.300 -0.203 0.000 0.842 544 V CB 1.371 32.830 31.823 -0.608 0.000 0.996 544 V HN 0.550 nan 8.190 nan 0.000 0.426 545 P HA 0.229 nan 4.420 nan 0.000 0.271 545 P C -0.744 176.612 177.300 0.094 0.000 1.216 545 P CA -0.107 63.007 63.100 0.023 0.000 0.771 545 P CB 0.876 32.588 31.700 0.020 0.000 0.864 546 I N 4.769 125.440 120.570 0.169 0.000 2.312 546 I HA 0.268 4.978 4.170 0.900 0.000 0.291 546 I C 1.220 177.551 176.117 0.356 0.000 1.031 546 I CA -0.275 61.197 61.300 0.286 0.000 1.293 546 I CB 0.049 38.304 38.000 0.425 0.000 1.403 546 I HN 0.412 nan 8.210 nan 0.000 0.484 547 R N 5.366 126.031 120.500 0.275 0.000 2.888 547 R HA 0.526 5.406 4.340 0.900 0.000 0.266 547 R C -1.065 175.272 176.300 0.062 0.000 1.020 547 R CA -0.695 55.564 56.100 0.265 0.000 0.963 547 R CB 2.057 32.494 30.300 0.228 0.000 1.197 547 R HN 0.535 nan 8.270 nan 0.000 0.481 548 H N 1.804 120.744 119.070 -0.216 0.000 2.469 548 H HA 0.302 5.398 4.556 0.900 0.000 0.342 548 H C -1.750 173.233 175.328 -0.575 0.000 1.115 548 H CA -2.077 53.668 56.048 -0.505 0.000 1.204 548 H CB 2.405 31.786 29.762 -0.636 0.000 1.492 548 H HN 0.346 nan 8.280 nan 0.000 0.499 549 P HA -0.032 nan 4.420 nan 0.000 0.226 549 P C 0.375 177.411 177.300 -0.439 0.000 1.153 549 P CA 1.059 63.548 63.100 -1.019 0.000 0.777 549 P CB 0.781 31.706 31.700 -1.293 0.000 0.794 550 K N -1.540 118.725 120.400 -0.225 0.000 2.403 550 K HA 0.184 5.044 4.320 0.900 0.000 0.199 550 K C 0.559 176.952 176.600 -0.345 0.000 1.199 550 K CA 0.046 56.134 56.287 -0.331 0.000 0.924 550 K CB 0.235 32.427 32.500 -0.512 0.000 1.137 550 K HN 0.068 nan 8.250 nan 0.000 0.510 551 F N 2.412 122.145 119.950 -0.362 0.000 2.405 551 F HA 0.060 5.127 4.527 0.900 0.000 0.358 551 F C 1.016 176.473 175.800 -0.571 0.000 1.151 551 F CA -0.701 56.860 58.000 -0.733 0.000 1.161 551 F CB 0.773 38.892 39.000 -1.468 0.000 1.245 551 F HN 0.027 nan 8.300 nan 0.000 0.545 552 D N 4.261 124.578 120.400 -0.138 0.000 2.310 552 D HA -0.169 5.012 4.640 0.900 0.000 0.212 552 D C 1.919 178.251 176.300 0.053 0.000 0.965 552 D CA 1.040 55.031 54.000 -0.015 0.000 0.879 552 D CB 0.090 40.923 40.800 0.055 0.000 0.921 552 D HN 0.647 nan 8.370 nan 0.000 0.510 553 W N -0.740 120.661 121.300 0.169 0.000 2.595 553 W HA -0.044 5.156 4.660 0.900 0.000 0.257 553 W C 1.353 177.952 176.519 0.132 0.000 1.267 553 W CA -0.390 57.018 57.345 0.105 0.000 1.300 553 W CB -1.284 28.195 29.460 0.031 0.000 1.120 553 W HN -0.075 nan 8.180 nan 0.000 0.618 554 F N 3.823 123.653 119.950 -0.200 0.000 2.126 554 F HA -0.273 4.794 4.527 0.899 0.000 0.299 554 F C 2.685 178.554 175.800 0.115 0.000 1.096 554 F CA 3.296 61.259 58.000 -0.061 0.000 1.255 554 F CB -0.199 38.661 39.000 -0.233 0.000 0.997 554 F HN -0.143 nan 8.300 nan 0.000 0.479 555 K N -0.647 119.916 120.400 0.272 0.000 2.211 555 K HA -0.206 4.654 4.320 0.900 0.000 0.204 555 K C 1.305 177.977 176.600 0.120 0.000 1.047 555 K CA 1.871 58.273 56.287 0.192 0.000 0.935 555 K CB -0.638 31.958 32.500 0.160 0.000 0.728 555 K HN 0.200 nan 8.250 nan 0.000 0.452 556 D N 1.321 121.801 120.400 0.134 0.000 2.310 556 D HA -0.063 5.117 4.640 0.900 0.000 0.212 556 D C 1.780 178.111 176.300 0.052 0.000 0.965 556 D CA 0.718 54.779 54.000 0.102 0.000 0.879 556 D CB -0.064 40.814 40.800 0.131 0.000 0.921 556 D HN 0.273 nan 8.370 nan 0.000 0.510 557 L N -0.130 121.093 121.223 -0.000 0.000 2.362 557 L HA 0.009 4.889 4.340 0.900 0.000 0.219 557 L C 1.574 178.440 176.870 -0.008 0.000 1.134 557 L CA 0.722 55.520 54.840 -0.070 0.000 0.807 557 L CB -0.452 41.445 42.059 -0.270 0.000 0.927 557 L HN 0.108 nan 8.230 nan 0.000 0.447 558 G N 0.602 109.419 108.800 0.027 0.000 2.198 558 G HA2 -0.272 4.229 3.960 0.900 0.000 0.257 558 G HA3 -0.272 4.229 3.960 0.900 0.000 0.257 558 G C 0.039 174.983 174.900 0.073 0.000 1.042 558 G CA -0.141 45.003 45.100 0.073 0.000 0.791 558 G HN 0.233 nan 8.290 nan 0.000 0.502 559 L N -0.275 120.945 121.223 -0.005 0.000 2.334 559 L HA 0.726 5.606 4.340 0.900 0.000 0.277 559 L C 0.676 177.450 176.870 -0.160 0.000 1.075 559 L CA -0.509 54.271 54.840 -0.100 0.000 0.804 559 L CB 1.429 43.406 42.059 -0.137 0.000 1.174 559 L HN 0.473 nan 8.230 nan 0.000 0.438 560 K N 1.478 121.611 120.400 -0.445 0.000 2.533 560 K HA 0.538 5.398 4.320 0.900 0.000 0.272 560 K C -1.822 174.831 176.600 0.088 0.000 0.985 560 K CA -1.029 55.145 56.287 -0.188 0.000 0.876 560 K CB 2.497 34.821 32.500 -0.294 0.000 1.452 560 K HN 0.548 nan 8.250 nan 0.000 0.439 561 W N 1.844 123.166 121.300 0.036 0.000 3.047 561 W HA 0.394 5.597 4.660 0.906 0.000 0.341 561 W C -1.249 175.391 176.519 0.203 0.000 1.225 561 W CA -0.913 56.525 57.345 0.154 0.000 1.150 561 W CB 1.864 31.298 29.460 -0.043 0.000 1.470 561 W HN 0.710 nan 8.180 nan 0.000 0.578 562 Y N -0.123 120.158 120.300 -0.033 0.000 2.335 562 Y HA 0.589 5.683 4.550 0.907 0.000 0.323 562 Y C 0.943 177.082 175.900 0.398 0.000 1.224 562 Y CA -0.309 57.822 58.100 0.052 0.000 1.241 562 Y CB 0.524 38.867 38.460 -0.194 0.000 1.235 562 Y HN 0.447 nan 8.280 nan 0.000 0.492 563 G N 1.448 110.493 108.800 0.409 0.000 2.511 563 G HA2 -0.022 4.478 3.960 0.900 0.000 0.217 563 G HA3 -0.022 4.478 3.960 0.900 0.000 0.217 563 G C -0.289 174.940 174.900 0.549 0.000 1.133 563 G CA 0.136 45.527 45.100 0.485 0.000 0.792 563 G HN 0.523 nan 8.290 nan 0.000 0.539 564 L N 2.374 123.888 121.223 0.486 0.000 2.295 564 L HA 0.477 5.357 4.340 0.900 0.000 0.281 564 L C -2.350 174.666 176.870 0.243 0.000 1.018 564 L CA -2.654 52.363 54.840 0.295 0.000 0.841 564 L CB 1.848 44.024 42.059 0.194 0.000 1.218 564 L HN -0.184 nan 8.230 nan 0.000 0.424 565 P HA 0.355 nan 4.420 nan 0.000 0.292 565 P C -1.358 175.843 177.300 -0.164 0.000 1.326 565 P CA -0.340 62.628 63.100 -0.220 0.000 0.787 565 P CB 1.464 32.660 31.700 -0.839 0.000 0.903 566 A N 4.376 127.105 122.820 -0.153 0.000 2.702 566 A HA 0.380 5.240 4.320 0.900 0.000 0.305 566 A C -0.353 176.994 177.584 -0.394 0.000 1.213 566 A CA -0.638 51.240 52.037 -0.265 0.000 0.745 566 A CB 0.641 19.515 19.000 -0.210 0.000 1.161 566 A HN 0.299 nan 8.150 nan 0.000 0.445 567 V N 2.763 122.293 119.914 -0.641 0.000 2.521 567 V HA 0.226 4.886 4.120 0.900 0.000 0.286 567 V C 1.270 176.940 176.094 -0.706 0.000 1.034 567 V CA 1.319 63.206 62.300 -0.688 0.000 1.045 567 V CB 1.130 32.431 31.823 -0.869 0.000 0.974 567 V HN 1.079 nan 8.190 nan 0.000 0.480 568 S N 1.950 117.428 115.700 -0.369 0.000 2.666 568 S HA 0.034 5.044 4.470 0.900 0.000 0.239 568 S C 0.880 175.424 174.600 -0.093 0.000 1.031 568 S CA 0.089 58.159 58.200 -0.216 0.000 1.015 568 S CB -0.308 62.796 63.200 -0.159 0.000 0.981 568 S HN 0.903 nan 8.310 nan 0.000 0.547 569 N N 0.476 119.119 118.700 -0.095 0.000 2.230 569 N HA 0.271 5.551 4.740 0.900 0.000 0.202 569 N C 0.363 175.892 175.510 0.032 0.000 1.119 569 N CA -0.393 52.637 53.050 -0.032 0.000 0.851 569 N CB 0.064 38.521 38.487 -0.051 0.000 0.990 569 N HN 0.292 nan 8.380 nan 0.000 0.497 570 M N 1.012 120.656 119.600 0.075 0.000 2.369 570 M HA 0.359 5.379 4.480 0.900 0.000 0.291 570 M C -0.688 175.740 176.300 0.213 0.000 1.178 570 M CA -0.837 54.557 55.300 0.157 0.000 0.996 570 M CB 2.034 34.759 32.600 0.208 0.000 1.472 570 M HN 0.068 nan 8.290 nan 0.000 0.496 571 L N 2.026 123.373 121.223 0.206 0.000 2.333 571 L HA 0.501 5.381 4.340 0.900 0.000 0.280 571 L C -1.455 175.536 176.870 0.202 0.000 1.004 571 L CA -0.951 54.002 54.840 0.188 0.000 0.820 571 L CB 1.423 43.541 42.059 0.098 0.000 1.247 571 L HN 0.531 nan 8.230 nan 0.000 0.416 572 L N 5.072 126.421 121.223 0.209 0.000 2.260 572 L HA 0.420 5.300 4.340 0.900 0.000 0.289 572 L C -0.375 176.527 176.870 0.053 0.000 1.057 572 L CA 0.351 55.198 54.840 0.011 0.000 0.811 572 L CB 1.132 43.185 42.059 -0.009 0.000 1.184 572 L HN 0.678 nan 8.230 nan 0.000 0.429 573 E N 5.933 126.082 120.200 -0.085 0.000 2.133 573 E HA 0.478 5.368 4.350 0.900 0.000 0.274 573 E C -1.427 175.105 176.600 -0.115 0.000 0.930 573 E CA -0.497 55.870 56.400 -0.054 0.000 0.770 573 E CB 0.966 30.627 29.700 -0.064 0.000 1.104 573 E HN 0.709 nan 8.360 nan 0.000 0.403 574 I N 3.064 123.575 120.570 -0.098 0.000 2.499 574 I HA 0.297 5.007 4.170 0.900 0.000 0.288 574 I C 0.749 176.639 176.117 -0.377 0.000 1.048 574 I CA -0.632 60.478 61.300 -0.315 0.000 1.062 574 I CB 2.078 39.854 38.000 -0.373 0.000 1.238 574 I HN 0.850 nan 8.210 nan 0.000 0.426 575 G N 4.174 112.706 108.800 -0.447 0.000 2.321 575 G HA2 -0.135 4.365 3.960 0.900 0.000 0.287 575 G HA3 -0.135 4.365 3.960 0.900 0.000 0.287 575 G C 1.052 175.986 174.900 0.057 0.000 1.018 575 G CA 0.829 45.854 45.100 -0.124 0.000 0.855 575 G HN 1.599 nan 8.290 nan 0.000 0.507 576 G N -2.051 106.745 108.800 -0.008 0.000 2.205 576 G HA2 -0.261 4.239 3.960 0.900 0.000 0.261 576 G HA3 -0.261 4.239 3.960 0.900 0.000 0.261 576 G C 0.524 175.398 174.900 -0.044 0.000 0.980 576 G CA 0.598 45.705 45.100 0.012 0.000 0.632 576 G HN 1.308 nan 8.290 nan 0.000 0.533 577 L N 0.684 121.833 121.223 -0.123 0.000 2.395 577 L HA 0.554 5.434 4.340 0.900 0.000 0.269 577 L C 0.357 177.044 176.870 -0.305 0.000 1.133 577 L CA -0.347 54.320 54.840 -0.288 0.000 0.812 577 L CB 0.990 42.776 42.059 -0.455 0.000 1.125 577 L HN 0.166 nan 8.230 nan 0.000 0.452 578 E N 2.789 122.729 120.200 -0.433 0.000 2.185 578 E HA 0.337 5.227 4.350 0.900 0.000 0.261 578 E C -1.486 174.843 176.600 -0.451 0.000 0.879 578 E CA -0.394 55.836 56.400 -0.284 0.000 0.756 578 E CB 1.564 31.173 29.700 -0.151 0.000 1.152 578 E HN 0.280 nan 8.360 nan 0.000 0.416 579 F N 1.955 121.883 119.950 -0.036 0.000 2.293 579 F HA 0.095 5.160 4.527 0.897 0.000 0.370 579 F C 1.518 177.359 175.800 0.068 0.000 1.090 579 F CA -0.489 57.515 58.000 0.006 0.000 1.133 579 F CB 1.044 40.031 39.000 -0.022 0.000 1.360 579 F HN 0.398 nan 8.300 nan 0.000 0.489 580 S N 1.096 116.905 115.700 0.182 0.000 2.515 580 S HA 0.257 5.267 4.470 0.900 0.000 0.231 580 S C 0.790 175.514 174.600 0.208 0.000 0.987 580 S CA 0.261 58.557 58.200 0.161 0.000 0.936 580 S CB 0.062 63.329 63.200 0.112 0.000 0.766 580 S HN 0.481 nan 8.310 nan 0.000 0.528 581 A N 0.872 123.868 122.820 0.293 0.000 2.410 581 A HA 0.601 5.461 4.320 0.900 0.000 0.289 581 A C -0.110 177.735 177.584 0.435 0.000 1.200 581 A CA -0.598 51.643 52.037 0.340 0.000 0.751 581 A CB 0.377 19.578 19.000 0.334 0.000 1.161 581 A HN 1.033 nan 8.150 nan 0.000 0.459 582 C N 0.518 120.027 119.300 0.348 0.000 3.090 582 C HA 0.428 5.428 4.460 0.900 0.000 0.227 582 C C -2.829 172.331 174.990 0.283 0.000 1.753 582 C CA -1.603 57.593 59.018 0.297 0.000 1.152 582 C CB -0.475 27.457 27.740 0.320 0.000 2.036 582 C HN 0.551 nan 8.230 nan 0.000 0.610 583 P HA 0.270 nan 4.420 nan 0.000 0.264 583 P C -0.539 176.790 177.300 0.049 0.000 1.183 583 P CA 1.127 64.203 63.100 -0.039 0.000 0.763 583 P CB 0.300 31.929 31.700 -0.119 0.000 0.807 584 F N -0.335 119.542 119.950 -0.122 0.000 2.613 584 F HA 0.786 5.854 4.527 0.902 0.000 0.314 584 F C -0.660 175.057 175.800 -0.139 0.000 1.075 584 F CA -1.160 56.784 58.000 -0.093 0.000 0.945 584 F CB 1.655 40.475 39.000 -0.301 0.000 1.310 584 F HN 0.399 nan 8.300 nan 0.000 0.467 585 S N 0.079 115.847 115.700 0.113 0.000 2.556 585 S HA 0.917 5.927 4.470 0.900 0.000 0.271 585 S C -0.749 173.797 174.600 -0.090 0.000 1.135 585 S CA -0.178 58.019 58.200 -0.004 0.000 0.858 585 S CB 1.453 64.745 63.200 0.154 0.000 1.114 585 S HN 1.447 nan 8.310 nan 0.000 0.468 586 G N 0.124 108.824 108.800 -0.165 0.000 3.259 586 G HA2 0.746 5.246 3.960 0.900 0.000 0.193 586 G HA3 0.746 5.246 3.960 0.900 0.000 0.193 586 G C -1.321 173.586 174.900 0.011 0.000 1.457 586 G CA -0.221 44.724 45.100 -0.260 0.000 0.771 586 G HN 1.175 nan 8.290 nan 0.000 0.765 587 W N -1.697 119.599 121.300 -0.008 0.000 3.075 587 W HA 0.778 5.977 4.660 0.898 0.000 0.334 587 W C -1.597 174.916 176.519 -0.011 0.000 1.243 587 W CA -2.197 55.155 57.345 0.012 0.000 1.170 587 W CB 0.421 29.935 29.460 0.090 0.000 1.452 587 W HN 0.426 nan 8.180 nan 0.000 0.572 588 Y N 2.542 123.026 120.300 0.307 0.000 2.336 588 Y HA 0.261 5.350 4.550 0.900 0.000 0.331 588 Y C 1.003 176.965 175.900 0.103 0.000 1.211 588 Y CA -0.567 57.589 58.100 0.093 0.000 1.346 588 Y CB 1.199 39.612 38.460 -0.078 0.000 1.271 588 Y HN 0.398 nan 8.280 nan 0.000 0.538 589 M N 2.603 122.346 119.600 0.239 0.000 2.233 589 M HA 0.281 5.301 4.480 0.900 0.000 0.355 589 M C 1.193 177.490 176.300 -0.005 0.000 1.191 589 M CA 0.123 55.498 55.300 0.124 0.000 1.101 589 M CB 1.152 33.803 32.600 0.085 0.000 1.592 589 M HN 0.905 nan 8.290 nan 0.000 0.461 590 G N 1.366 110.125 108.800 -0.070 0.000 2.513 590 G HA2 -0.300 4.200 3.960 0.900 0.000 0.219 590 G HA3 -0.300 4.200 3.960 0.900 0.000 0.219 590 G C 1.182 175.930 174.900 -0.254 0.000 1.160 590 G CA 1.715 46.690 45.100 -0.209 0.000 0.767 590 G HN 0.889 nan 8.290 nan 0.000 0.571 591 T N -0.671 113.778 114.554 -0.174 0.000 2.849 591 T HA -0.070 4.820 4.350 0.900 0.000 0.270 591 T C 1.934 176.477 174.700 -0.263 0.000 1.066 591 T CA 1.668 63.626 62.100 -0.237 0.000 1.130 591 T CB -0.337 68.357 68.868 -0.289 0.000 0.864 591 T HN 0.541 nan 8.240 nan 0.000 0.481 592 E N 1.015 121.080 120.200 -0.225 0.000 2.097 592 E HA -0.098 4.792 4.350 0.900 0.000 0.196 592 E C 2.100 178.435 176.600 -0.441 0.000 1.000 592 E CA 1.632 57.907 56.400 -0.208 0.000 0.804 592 E CB -0.377 29.340 29.700 0.027 0.000 0.740 592 E HN 0.615 nan 8.360 nan 0.000 0.454 593 I N 0.109 120.235 120.570 -0.741 0.000 2.296 593 I HA -0.055 4.655 4.170 0.900 0.000 0.242 593 I C 2.580 178.137 176.117 -0.933 0.000 1.087 593 I CA 1.004 61.581 61.300 -1.205 0.000 1.393 593 I CB -0.415 36.676 38.000 -1.515 0.000 1.093 593 I HN 0.095 nan 8.210 nan 0.000 0.421 594 G N 0.307 108.766 108.800 -0.568 0.000 2.448 594 G HA2 -0.070 4.430 3.960 0.900 0.000 0.218 594 G HA3 -0.070 4.430 3.960 0.900 0.000 0.218 594 G C 1.563 176.398 174.900 -0.108 0.000 1.135 594 G CA 0.767 45.725 45.100 -0.237 0.000 0.784 594 G HN 0.220 nan 8.290 nan 0.000 0.543 595 V N -0.055 119.749 119.914 -0.183 0.000 2.490 595 V HA 0.115 4.775 4.120 0.900 0.000 0.238 595 V C 2.725 178.752 176.094 -0.111 0.000 1.056 595 V CA 0.727 62.952 62.300 -0.126 0.000 1.075 595 V CB -0.166 31.554 31.823 -0.172 0.000 0.746 595 V HN 0.078 nan 8.190 nan 0.000 0.479 596 R N 0.747 121.146 120.500 -0.169 0.000 2.051 596 R HA -0.016 4.864 4.340 0.900 0.000 0.225 596 R C 1.974 178.223 176.300 -0.085 0.000 1.155 596 R CA 1.487 57.513 56.100 -0.124 0.000 0.945 596 R CB -1.093 29.122 30.300 -0.142 0.000 0.840 596 R HN 0.459 nan 8.270 nan 0.000 0.432 597 D N 0.048 120.314 120.400 -0.223 0.000 2.144 597 D HA -0.142 5.038 4.640 0.900 0.000 0.199 597 D C 1.985 178.330 176.300 0.076 0.000 0.984 597 D CA 1.240 55.121 54.000 -0.198 0.000 0.834 597 D CB -0.209 40.089 40.800 -0.837 0.000 0.955 597 D HN 0.374 nan 8.370 nan 0.000 0.465 598 Y N -0.611 119.616 120.300 -0.121 0.000 2.397 598 Y HA -0.003 5.087 4.550 0.900 0.000 0.292 598 Y C 2.160 178.109 175.900 0.083 0.000 1.115 598 Y CA 0.125 58.233 58.100 0.014 0.000 1.208 598 Y CB 0.460 38.900 38.460 -0.032 0.000 1.046 598 Y HN 0.029 nan 8.280 nan 0.000 0.552 599 C N -1.068 118.344 119.300 0.186 0.000 3.188 599 C HA 0.156 5.156 4.460 0.900 0.000 0.315 599 C C 0.184 175.220 174.990 0.077 0.000 1.285 599 C CA -0.691 58.400 59.018 0.122 0.000 1.729 599 C CB -0.539 27.250 27.740 0.081 0.000 2.257 599 C HN 0.236 nan 8.230 nan 0.000 0.645 600 D N 2.276 122.713 120.400 0.062 0.000 2.525 600 D HA -0.020 5.160 4.640 0.900 0.000 0.235 600 D C 1.011 177.350 176.300 0.065 0.000 1.137 600 D CA 0.538 54.565 54.000 0.045 0.000 0.868 600 D CB 0.453 41.278 40.800 0.040 0.000 1.180 600 D HN 0.267 nan 8.370 nan 0.000 0.465 601 N N 0.349 119.076 118.700 0.045 0.000 2.223 601 N HA -0.137 5.143 4.740 0.900 0.000 0.185 601 N C 1.193 176.730 175.510 0.045 0.000 1.016 601 N CA 0.752 53.831 53.050 0.048 0.000 0.863 601 N CB -0.010 38.499 38.487 0.037 0.000 0.983 601 N HN 0.381 nan 8.380 nan 0.000 0.429 602 S N -0.196 115.528 115.700 0.041 0.000 2.614 602 S HA 0.286 5.296 4.470 0.900 0.000 0.230 602 S C 0.925 175.550 174.600 0.043 0.000 0.952 602 S CA -0.516 57.705 58.200 0.035 0.000 0.949 602 S CB 0.639 63.859 63.200 0.033 0.000 0.786 602 S HN -0.002 nan 8.310 nan 0.000 0.478 603 R N 0.159 120.700 120.500 0.069 0.000 3.006 603 R HA 0.396 5.276 4.340 0.900 0.000 0.150 603 R C 0.595 176.944 176.300 0.081 0.000 1.285 603 R CA -0.541 55.622 56.100 0.105 0.000 0.813 603 R CB -1.014 29.403 30.300 0.196 0.000 1.582 603 R HN 0.299 nan 8.270 nan 0.000 0.441 604 Y N 1.650 122.072 120.300 0.203 0.000 2.509 604 Y HA -0.019 5.070 4.550 0.898 0.000 0.293 604 Y C 0.679 176.652 175.900 0.122 0.000 1.133 604 Y CA 1.165 59.381 58.100 0.193 0.000 1.283 604 Y CB -0.211 38.437 38.460 0.313 0.000 1.001 604 Y HN 0.550 nan 8.280 nan 0.000 0.555 605 N N 0.984 119.823 118.700 0.232 0.000 2.667 605 N HA -0.221 5.059 4.740 0.900 0.000 0.263 605 N C 0.396 175.988 175.510 0.136 0.000 1.038 605 N CA 0.395 53.533 53.050 0.147 0.000 0.749 605 N CB -0.999 37.546 38.487 0.096 0.000 0.892 605 N HN 0.635 nan 8.380 nan 0.000 0.546 606 I N -2.570 118.087 120.570 0.145 0.000 3.956 606 I HA 0.098 4.808 4.170 0.900 0.000 0.333 606 I C 1.798 177.983 176.117 0.113 0.000 1.302 606 I CA -0.439 60.920 61.300 0.099 0.000 1.122 606 I CB -0.000 38.017 38.000 0.030 0.000 1.013 606 I HN 0.190 nan 8.210 nan 0.000 0.405 607 L N 1.288 122.602 121.223 0.152 0.000 2.013 607 L HA -0.199 4.681 4.340 0.900 0.000 0.212 607 L C 2.716 179.752 176.870 0.276 0.000 1.073 607 L CA 1.889 56.854 54.840 0.208 0.000 0.753 607 L CB -0.511 41.655 42.059 0.179 0.000 0.890 607 L HN 0.360 nan 8.230 nan 0.000 0.432 608 E N -0.166 120.183 120.200 0.248 0.000 2.070 608 E HA -0.274 4.616 4.350 0.900 0.000 0.197 608 E C 2.033 178.644 176.600 0.018 0.000 1.004 608 E CA 1.739 58.228 56.400 0.149 0.000 0.805 608 E CB -0.118 29.634 29.700 0.088 0.000 0.744 608 E HN 0.588 nan 8.360 nan 0.000 0.451 609 E N 0.267 120.473 120.200 0.009 0.000 2.077 609 E HA -0.162 4.728 4.350 0.900 0.000 0.193 609 E C 2.237 178.781 176.600 -0.093 0.000 0.989 609 E CA 1.231 57.595 56.400 -0.060 0.000 0.800 609 E CB -0.012 29.657 29.700 -0.051 0.000 0.746 609 E HN 0.067 nan 8.360 nan 0.000 0.452 610 V N 1.419 121.333 119.914 -0.000 0.000 2.307 610 V HA -0.238 4.422 4.120 0.900 0.000 0.245 610 V C 2.363 178.468 176.094 0.018 0.000 1.045 610 V CA 1.730 64.066 62.300 0.061 0.000 1.024 610 V CB -0.758 31.204 31.823 0.231 0.000 0.651 610 V HN 0.325 nan 8.190 nan 0.000 0.449 611 A N -0.221 122.648 122.820 0.082 0.000 1.908 611 A HA -0.274 4.587 4.320 0.900 0.000 0.218 611 A C 2.306 179.802 177.584 -0.146 0.000 1.181 611 A CA 2.134 54.208 52.037 0.061 0.000 0.627 611 A CB -0.473 18.641 19.000 0.190 0.000 0.818 611 A HN 0.539 nan 8.150 nan 0.000 0.445 612 K N -0.567 119.705 120.400 -0.212 0.000 2.057 612 K HA -0.110 4.751 4.320 0.900 0.000 0.207 612 K C 1.929 178.300 176.600 -0.382 0.000 1.049 612 K CA 1.268 57.389 56.287 -0.278 0.000 0.931 612 K CB -0.119 32.236 32.500 -0.242 0.000 0.714 612 K HN 0.217 nan 8.250 nan 0.000 0.440 613 K N 0.440 120.513 120.400 -0.546 0.000 2.211 613 K HA -0.026 4.834 4.320 0.900 0.000 0.203 613 K C 1.806 177.806 176.600 -1.001 0.000 1.050 613 K CA 1.112 56.783 56.287 -1.026 0.000 0.945 613 K CB 0.010 31.470 32.500 -1.734 0.000 0.732 613 K HN 0.245 nan 8.250 nan 0.000 0.451 614 M N 0.072 119.337 119.600 -0.559 0.000 2.556 614 M HA -0.046 4.974 4.480 0.900 0.000 0.245 614 M C -0.185 175.988 176.300 -0.211 0.000 1.128 614 M CA 0.251 55.364 55.300 -0.312 0.000 1.069 614 M CB 0.032 32.563 32.600 -0.115 0.000 1.469 614 M HN -0.014 nan 8.290 nan 0.000 0.494 615 D N 1.675 121.932 120.400 -0.238 0.000 2.772 615 D HA -0.157 5.023 4.640 0.900 0.000 0.233 615 D C -0.828 175.405 176.300 -0.113 0.000 1.143 615 D CA 0.503 54.399 54.000 -0.173 0.000 0.700 615 D CB -1.063 39.649 40.800 -0.146 0.000 1.076 615 D HN 0.290 nan 8.370 nan 0.000 0.430 616 L N 0.151 121.312 121.223 -0.103 0.000 2.436 616 L HA 0.233 5.113 4.340 0.900 0.000 0.265 616 L C 1.071 177.873 176.870 -0.114 0.000 1.168 616 L CA -0.531 54.283 54.840 -0.043 0.000 0.815 616 L CB 0.458 42.553 42.059 0.060 0.000 1.109 616 L HN 0.001 nan 8.230 nan 0.000 0.462 617 D N 2.583 122.949 120.400 -0.056 0.000 2.348 617 D HA 0.078 5.258 4.640 0.900 0.000 0.259 617 D C 0.397 176.588 176.300 -0.182 0.000 1.296 617 D CA 0.402 54.349 54.000 -0.088 0.000 0.931 617 D CB 0.726 41.519 40.800 -0.011 0.000 1.067 617 D HN 0.361 nan 8.370 nan 0.000 0.503 618 M N 2.821 122.166 119.600 -0.424 0.000 2.431 618 M HA 0.167 5.187 4.480 0.900 0.000 0.237 618 M C 1.675 177.748 176.300 -0.378 0.000 1.130 618 M CA -0.167 54.590 55.300 -0.906 0.000 1.002 618 M CB 0.491 32.349 32.600 -1.236 0.000 1.524 618 M HN 0.205 nan 8.290 nan 0.000 0.482 619 R N 1.695 122.102 120.500 -0.154 0.000 2.148 619 R HA -0.040 4.840 4.340 0.900 0.000 0.227 619 R C -0.063 176.267 176.300 0.050 0.000 1.103 619 R CA 0.935 57.007 56.100 -0.047 0.000 0.983 619 R CB -0.036 30.243 30.300 -0.035 0.000 0.874 619 R HN 0.360 nan 8.270 nan 0.000 0.451 620 K N -0.918 119.558 120.400 0.126 0.000 2.468 620 K HA 0.222 5.082 4.320 0.900 0.000 0.252 620 K C 0.413 177.177 176.600 0.274 0.000 0.932 620 K CA -0.472 55.914 56.287 0.165 0.000 0.794 620 K CB 1.811 34.372 32.500 0.101 0.000 1.241 620 K HN -0.174 nan 8.250 nan 0.000 0.428 621 T N -2.002 112.672 114.554 0.202 0.000 2.833 621 T HA -0.215 4.675 4.350 0.900 0.000 0.269 621 T C 1.697 176.428 174.700 0.051 0.000 1.054 621 T CA 1.698 63.864 62.100 0.110 0.000 1.135 621 T CB -0.471 68.416 68.868 0.031 0.000 0.869 621 T HN 0.621 nan 8.240 nan 0.000 0.466 622 S N 1.663 117.408 115.700 0.074 0.000 2.607 622 S HA 0.031 5.042 4.470 0.900 0.000 0.224 622 S C 2.021 176.661 174.600 0.067 0.000 0.969 622 S CA 0.505 58.734 58.200 0.049 0.000 0.927 622 S CB -0.676 62.548 63.200 0.041 0.000 0.772 622 S HN 0.744 nan 8.310 nan 0.000 0.533 623 S N 1.826 117.599 115.700 0.122 0.000 2.561 623 S HA 0.195 5.205 4.470 0.900 0.000 0.225 623 S C 0.976 175.649 174.600 0.121 0.000 0.977 623 S CA 0.123 58.405 58.200 0.136 0.000 0.926 623 S CB -1.050 62.266 63.200 0.194 0.000 0.769 623 S HN 0.644 nan 8.310 nan 0.000 0.533 624 L N 0.681 121.936 121.223 0.054 0.000 3.737 624 L HA -0.193 4.688 4.340 0.900 0.000 0.418 624 L C 1.712 178.580 176.870 -0.002 0.000 1.216 624 L CA 0.754 55.574 54.840 -0.034 0.000 0.915 624 L CB -2.630 39.423 42.059 -0.010 0.000 1.834 624 L HN 0.742 nan 8.230 nan 0.000 0.943 625 W N 0.306 121.621 121.300 0.024 0.000 2.338 625 W HA -0.175 5.025 4.660 0.900 0.000 0.304 625 W C 1.762 178.302 176.519 0.035 0.000 1.212 625 W CA 1.420 58.781 57.345 0.026 0.000 1.264 625 W CB -0.750 28.717 29.460 0.012 0.000 1.142 625 W HN 0.264 nan 8.180 nan 0.000 0.512 626 K N 1.003 120.934 120.400 -0.781 0.000 2.063 626 K HA -0.190 4.670 4.320 0.900 0.000 0.208 626 K C 1.519 177.998 176.600 -0.203 0.000 1.048 626 K CA 2.482 58.391 56.287 -0.631 0.000 0.928 626 K CB -0.377 31.604 32.500 -0.866 0.000 0.713 626 K HN 0.088 nan 8.250 nan 0.000 0.442 627 D N 0.436 120.737 120.400 -0.165 0.000 2.117 627 D HA -0.124 5.056 4.640 0.900 0.000 0.198 627 D C 2.038 178.352 176.300 0.023 0.000 0.982 627 D CA 0.930 54.893 54.000 -0.062 0.000 0.828 627 D CB 0.035 40.801 40.800 -0.056 0.000 0.967 627 D HN 0.192 nan 8.370 nan 0.000 0.464 628 Q N 0.313 120.153 119.800 0.066 0.000 2.020 628 Q HA -0.089 4.792 4.340 0.900 0.000 0.202 628 Q C 2.357 178.460 176.000 0.173 0.000 0.982 628 Q CA 1.359 57.239 55.803 0.129 0.000 0.838 628 Q CB -0.244 28.588 28.738 0.157 0.000 0.899 628 Q HN 0.300 nan 8.270 nan 0.000 0.423 629 A N 1.058 123.996 122.820 0.197 0.000 1.933 629 A HA -0.180 4.680 4.320 0.900 0.000 0.218 629 A C 2.078 179.789 177.584 0.211 0.000 1.175 629 A CA 1.127 53.311 52.037 0.244 0.000 0.628 629 A CB -0.602 18.565 19.000 0.279 0.000 0.814 629 A HN 0.328 nan 8.150 nan 0.000 0.444 630 L N -0.028 121.272 121.223 0.127 0.000 2.012 630 L HA -0.130 4.750 4.340 0.900 0.000 0.210 630 L C 2.398 179.329 176.870 0.101 0.000 1.073 630 L CA 2.024 56.919 54.840 0.091 0.000 0.748 630 L CB -0.594 41.474 42.059 0.016 0.000 0.891 630 L HN 0.159 nan 8.230 nan 0.000 0.431 631 V N -0.071 119.905 119.914 0.104 0.000 2.295 631 V HA -0.250 4.410 4.120 0.900 0.000 0.246 631 V C 2.664 178.841 176.094 0.138 0.000 1.049 631 V CA 1.900 64.264 62.300 0.107 0.000 1.024 631 V CB -0.751 31.136 31.823 0.107 0.000 0.648 631 V HN 0.469 nan 8.190 nan 0.000 0.447 632 E N -0.035 120.294 120.200 0.214 0.000 2.077 632 E HA -0.175 4.715 4.350 0.900 0.000 0.193 632 E C 2.143 178.878 176.600 0.226 0.000 0.989 632 E CA 1.348 57.930 56.400 0.304 0.000 0.800 632 E CB -0.373 29.596 29.700 0.450 0.000 0.746 632 E HN 0.589 nan 8.360 nan 0.000 0.452 633 I N 1.679 122.405 120.570 0.260 0.000 2.226 633 I HA -0.265 4.445 4.170 0.900 0.000 0.245 633 I C 2.113 178.306 176.117 0.126 0.000 1.100 633 I CA 0.939 62.408 61.300 0.282 0.000 1.374 633 I CB -0.262 37.955 38.000 0.362 0.000 1.057 633 I HN 0.071 nan 8.210 nan 0.000 0.413 634 N N 0.631 119.378 118.700 0.078 0.000 2.300 634 N HA -0.027 5.253 4.740 0.900 0.000 0.179 634 N C 2.003 177.501 175.510 -0.019 0.000 1.016 634 N CA 1.087 54.145 53.050 0.013 0.000 0.876 634 N CB 0.096 38.587 38.487 0.007 0.000 0.979 634 N HN 0.342 nan 8.380 nan 0.000 0.432 635 I N 1.453 121.999 120.570 -0.040 0.000 2.226 635 I HA -0.243 4.467 4.170 0.900 0.000 0.245 635 I C 2.429 178.411 176.117 -0.226 0.000 1.100 635 I CA 0.897 62.112 61.300 -0.141 0.000 1.374 635 I CB -0.200 37.663 38.000 -0.229 0.000 1.057 635 I HN 0.057 nan 8.210 nan 0.000 0.413 636 A N 0.136 122.773 122.820 -0.305 0.000 1.933 636 A HA -0.137 4.723 4.320 0.900 0.000 0.218 636 A C 2.418 179.977 177.584 -0.042 0.000 1.175 636 A CA 1.555 53.388 52.037 -0.340 0.000 0.628 636 A CB -0.875 17.654 19.000 -0.784 0.000 0.814 636 A HN 0.237 nan 8.150 nan 0.000 0.444 637 V N 0.082 119.996 119.914 -0.000 0.000 2.261 637 V HA -0.273 4.387 4.120 0.900 0.000 0.246 637 V C 2.590 178.701 176.094 0.028 0.000 1.047 637 V CA 2.097 64.418 62.300 0.035 0.000 1.015 637 V CB -0.794 30.957 31.823 -0.119 0.000 0.642 637 V HN 0.581 nan 8.190 nan 0.000 0.446 638 L N -1.290 119.915 121.223 -0.030 0.000 2.042 638 L HA -0.240 4.640 4.340 0.900 0.000 0.210 638 L C 2.491 179.400 176.870 0.065 0.000 1.076 638 L CA 2.188 57.023 54.840 -0.008 0.000 0.749 638 L CB -0.730 41.321 42.059 -0.014 0.000 0.893 638 L HN 0.450 nan 8.230 nan 0.000 0.432 639 Y N 0.408 120.666 120.300 -0.069 0.000 2.145 639 Y HA -0.274 4.816 4.550 0.901 0.000 0.286 639 Y C 2.752 178.645 175.900 -0.011 0.000 1.145 639 Y CA 1.840 59.891 58.100 -0.081 0.000 1.148 639 Y CB -0.247 38.095 38.460 -0.196 0.000 0.981 639 Y HN 0.067 nan 8.280 nan 0.000 0.507 640 S N 0.225 115.915 115.700 -0.016 0.000 2.368 640 S HA -0.164 4.846 4.470 0.900 0.000 0.225 640 S C 1.754 176.337 174.600 -0.029 0.000 1.030 640 S CA 1.505 59.678 58.200 -0.045 0.000 0.999 640 S CB -0.736 62.550 63.200 0.143 0.000 0.844 640 S HN 0.436 nan 8.310 nan 0.000 0.459 641 F N 1.981 121.872 119.950 -0.099 0.000 2.102 641 F HA -0.113 4.953 4.527 0.899 0.000 0.298 641 F C 2.682 178.415 175.800 -0.111 0.000 1.105 641 F CA 1.174 59.133 58.000 -0.068 0.000 1.239 641 F CB -0.779 38.206 39.000 -0.025 0.000 0.991 641 F HN 0.207 nan 8.300 nan 0.000 0.474 642 Q N -0.556 119.266 119.800 0.037 0.000 2.084 642 Q HA -0.168 4.712 4.340 0.900 0.000 0.202 642 Q C 2.351 178.258 176.000 -0.156 0.000 0.978 642 Q CA 1.923 57.689 55.803 -0.063 0.000 0.844 642 Q CB -0.411 28.285 28.738 -0.070 0.000 0.898 642 Q HN 0.269 nan 8.270 nan 0.000 0.426 643 S N 1.080 116.603 115.700 -0.296 0.000 2.382 643 S HA -0.125 4.885 4.470 0.900 0.000 0.228 643 S C 0.978 175.464 174.600 -0.190 0.000 1.027 643 S CA 1.283 59.296 58.200 -0.313 0.000 0.991 643 S CB -0.118 62.771 63.200 -0.519 0.000 0.823 643 S HN 0.330 nan 8.310 nan 0.000 0.469 644 D N 0.345 120.640 120.400 -0.175 0.000 2.328 644 D HA 0.158 5.338 4.640 0.900 0.000 0.226 644 D C 0.231 176.462 176.300 -0.116 0.000 1.066 644 D CA 0.204 54.118 54.000 -0.142 0.000 0.861 644 D CB -0.080 40.615 40.800 -0.175 0.000 0.912 644 D HN 0.042 nan 8.370 nan 0.000 0.521 645 K N -0.207 120.133 120.400 -0.100 0.000 3.150 645 K HA -0.137 4.723 4.320 0.900 0.000 0.267 645 K C -1.280 175.283 176.600 -0.061 0.000 1.028 645 K CA 0.140 56.382 56.287 -0.074 0.000 0.753 645 K CB -1.532 30.926 32.500 -0.071 0.000 1.288 645 K HN -0.015 nan 8.250 nan 0.000 0.473 646 V N 1.449 121.341 119.914 -0.038 0.000 2.417 646 V HA 0.289 4.949 4.120 0.900 0.000 0.291 646 V C 0.583 176.751 176.094 0.124 0.000 1.024 646 V CA -0.717 61.592 62.300 0.015 0.000 0.861 646 V CB 1.943 33.710 31.823 -0.094 0.000 0.985 646 V HN 0.360 nan 8.190 nan 0.000 0.436 647 T N 6.479 121.059 114.554 0.044 0.000 2.905 647 T HA 0.360 5.250 4.350 0.900 0.000 0.299 647 T C -0.245 174.510 174.700 0.092 0.000 1.024 647 T CA 0.909 62.957 62.100 -0.087 0.000 1.151 647 T CB 0.059 68.708 68.868 -0.364 0.000 0.987 647 T HN 0.564 nan 8.240 nan 0.000 0.535 648 I N 2.516 123.094 120.570 0.014 0.000 2.918 648 I HA 0.631 5.341 4.170 0.900 0.000 0.301 648 I C -1.467 174.687 176.117 0.061 0.000 1.312 648 I CA -0.990 60.364 61.300 0.089 0.000 1.007 648 I CB 1.990 39.979 38.000 -0.018 0.000 1.281 648 I HN 0.435 nan 8.210 nan 0.000 0.440 649 V N 5.258 125.272 119.914 0.166 0.000 2.656 649 V HA 0.480 5.140 4.120 0.900 0.000 0.307 649 V C -1.083 175.066 176.094 0.092 0.000 1.051 649 V CA -0.296 62.094 62.300 0.152 0.000 0.893 649 V CB 2.172 34.175 31.823 0.300 0.000 0.999 649 V HN 0.879 nan 8.190 nan 0.000 0.426 650 D N 3.876 124.305 120.400 0.048 0.000 2.354 650 D HA 0.176 5.356 4.640 0.900 0.000 0.247 650 D C 1.219 177.507 176.300 -0.020 0.000 1.138 650 D CA 0.097 54.102 54.000 0.008 0.000 0.958 650 D CB 0.496 41.271 40.800 -0.042 0.000 1.144 650 D HN 0.731 nan 8.370 nan 0.000 0.458 651 H N -0.069 118.936 119.070 -0.108 0.000 2.491 651 H HA -0.105 4.991 4.556 0.900 0.000 0.290 651 H C 0.891 176.122 175.328 -0.161 0.000 1.050 651 H CA 1.084 57.036 56.048 -0.160 0.000 1.309 651 H CB -0.470 29.146 29.762 -0.244 0.000 1.392 651 H HN 0.519 nan 8.280 nan 0.000 0.554 652 H N 0.876 119.759 119.070 -0.311 0.000 2.307 652 H HA -0.075 5.021 4.556 0.900 0.000 0.303 652 H C 2.478 177.790 175.328 -0.026 0.000 1.073 652 H CA 1.468 57.428 56.048 -0.146 0.000 1.338 652 H CB -0.185 29.462 29.762 -0.191 0.000 1.389 652 H HN 0.408 nan 8.280 nan 0.000 0.503 653 S N 0.729 116.487 115.700 0.097 0.000 2.368 653 S HA -0.125 4.885 4.470 0.900 0.000 0.225 653 S C 2.434 177.106 174.600 0.121 0.000 1.030 653 S CA 1.219 59.476 58.200 0.096 0.000 0.999 653 S CB -0.311 62.935 63.200 0.076 0.000 0.844 653 S HN 0.451 nan 8.310 nan 0.000 0.459 654 A N 0.973 123.865 122.820 0.120 0.000 1.902 654 A HA -0.076 4.784 4.320 0.900 0.000 0.217 654 A C 2.525 180.211 177.584 0.169 0.000 1.181 654 A CA 2.445 54.572 52.037 0.150 0.000 0.623 654 A CB -1.670 17.409 19.000 0.131 0.000 0.818 654 A HN 0.810 nan 8.150 nan 0.000 0.443 655 T N -2.436 112.204 114.554 0.142 0.000 2.857 655 T HA -0.095 4.795 4.350 0.900 0.000 0.266 655 T C 1.754 176.590 174.700 0.227 0.000 1.048 655 T CA 1.294 63.501 62.100 0.179 0.000 1.139 655 T CB -0.309 68.632 68.868 0.121 0.000 0.874 655 T HN 0.572 nan 8.240 nan 0.000 0.455 656 E N 1.623 121.929 120.200 0.177 0.000 2.058 656 E HA -0.213 4.677 4.350 0.900 0.000 0.194 656 E C 2.486 179.180 176.600 0.156 0.000 0.997 656 E CA 1.721 58.213 56.400 0.154 0.000 0.801 656 E CB -0.244 29.528 29.700 0.120 0.000 0.746 656 E HN 0.729 nan 8.360 nan 0.000 0.450 657 S N 0.058 115.860 115.700 0.169 0.000 2.368 657 S HA -0.199 4.811 4.470 0.900 0.000 0.225 657 S C 1.951 176.678 174.600 0.212 0.000 1.030 657 S CA 1.121 59.422 58.200 0.169 0.000 0.999 657 S CB -0.752 62.551 63.200 0.171 0.000 0.844 657 S HN 0.412 nan 8.310 nan 0.000 0.459 658 F N 2.165 122.188 119.950 0.122 0.000 2.216 658 F HA 0.066 5.133 4.527 0.900 0.000 0.300 658 F C 1.950 177.850 175.800 0.167 0.000 1.085 658 F CA 0.831 58.923 58.000 0.154 0.000 1.326 658 F CB -0.232 38.842 39.000 0.123 0.000 1.027 658 F HN 0.135 nan 8.300 nan 0.000 0.497 659 I N 0.607 121.257 120.570 0.134 0.000 2.179 659 I HA -0.275 4.435 4.170 0.900 0.000 0.242 659 I C 2.458 178.556 176.117 -0.031 0.000 1.088 659 I CA 1.345 62.667 61.300 0.036 0.000 1.357 659 I CB -1.338 36.732 38.000 0.116 0.000 1.051 659 I HN 0.183 nan 8.210 nan 0.000 0.409 660 K N 0.007 120.421 120.400 0.023 0.000 2.063 660 K HA -0.276 4.584 4.320 0.900 0.000 0.208 660 K C 2.307 178.906 176.600 -0.001 0.000 1.048 660 K CA 1.808 58.107 56.287 0.019 0.000 0.928 660 K CB -0.242 32.290 32.500 0.053 0.000 0.713 660 K HN 0.320 nan 8.250 nan 0.000 0.442 661 H N 0.491 119.492 119.070 -0.114 0.000 2.321 661 H HA -0.082 5.014 4.556 0.901 0.000 0.300 661 H C 2.142 177.341 175.328 -0.214 0.000 1.087 661 H CA 2.289 58.249 56.048 -0.147 0.000 1.319 661 H CB -0.179 29.485 29.762 -0.162 0.000 1.379 661 H HN 0.112 nan 8.280 nan 0.000 0.501 662 M N 0.159 119.472 119.600 -0.478 0.000 2.082 662 M HA -0.216 4.804 4.480 0.900 0.000 0.258 662 M C 2.030 178.281 176.300 -0.082 0.000 1.069 662 M CA 2.308 57.380 55.300 -0.381 0.000 1.102 662 M CB -0.065 32.321 32.600 -0.357 0.000 1.336 662 M HN 0.473 nan 8.290 nan 0.000 0.404 663 E N -0.273 119.880 120.200 -0.079 0.000 2.110 663 E HA -0.189 4.701 4.350 0.900 0.000 0.193 663 E C 1.673 178.266 176.600 -0.012 0.000 0.988 663 E CA 1.105 57.495 56.400 -0.017 0.000 0.804 663 E CB -0.205 29.474 29.700 -0.035 0.000 0.745 663 E HN 0.545 nan 8.360 nan 0.000 0.458 664 N N 0.997 119.655 118.700 -0.069 0.000 2.084 664 N HA -0.159 5.121 4.740 0.900 0.000 0.190 664 N C 1.661 177.112 175.510 -0.098 0.000 1.030 664 N CA 0.974 53.987 53.050 -0.061 0.000 0.849 664 N CB -0.153 38.312 38.487 -0.035 0.000 1.012 664 N HN 0.176 nan 8.380 nan 0.000 0.423 665 E N 0.136 120.197 120.200 -0.232 0.000 2.110 665 E HA -0.131 4.759 4.350 0.900 0.000 0.193 665 E C 1.912 178.381 176.600 -0.217 0.000 0.988 665 E CA 0.695 56.922 56.400 -0.288 0.000 0.804 665 E CB -0.381 29.014 29.700 -0.507 0.000 0.745 665 E HN 0.502 nan 8.360 nan 0.000 0.458 666 Y N 1.503 121.716 120.300 -0.146 0.000 2.200 666 Y HA -0.187 4.904 4.550 0.900 0.000 0.290 666 Y C 2.633 178.492 175.900 -0.070 0.000 1.137 666 Y CA 1.994 60.044 58.100 -0.083 0.000 1.163 666 Y CB -0.091 38.328 38.460 -0.068 0.000 0.988 666 Y HN 0.097 nan 8.280 nan 0.000 0.518 667 R N -0.578 119.963 120.500 0.069 0.000 2.119 667 R HA -0.065 4.815 4.340 0.900 0.000 0.222 667 R C 2.134 178.426 176.300 -0.014 0.000 1.088 667 R CA 1.531 57.644 56.100 0.022 0.000 0.984 667 R CB -1.331 28.976 30.300 0.012 0.000 0.884 667 R HN 0.480 nan 8.270 nan 0.000 0.447 668 C N -1.252 118.029 119.300 -0.031 0.000 2.674 668 C HA 0.400 5.400 4.460 0.900 0.000 0.276 668 C C 2.162 177.120 174.990 -0.052 0.000 1.300 668 C CA -0.285 58.714 59.018 -0.031 0.000 1.732 668 C CB -0.208 27.527 27.740 -0.009 0.000 2.076 668 C HN 0.546 nan 8.230 nan 0.000 0.548 669 R N -0.145 120.300 120.500 -0.093 0.000 2.517 669 R HA 0.311 5.191 4.340 0.900 0.000 0.265 669 R C 1.511 177.730 176.300 -0.136 0.000 0.921 669 R CA 0.911 56.943 56.100 -0.114 0.000 1.054 669 R CB 0.505 30.714 30.300 -0.152 0.000 1.340 669 R HN 0.642 nan 8.270 nan 0.000 0.551 670 G N 0.031 108.740 108.800 -0.151 0.000 2.141 670 G HA2 -0.159 4.341 3.960 0.900 0.000 0.242 670 G HA3 -0.159 4.341 3.960 0.900 0.000 0.242 670 G C 0.146 174.856 174.900 -0.316 0.000 0.982 670 G CA 0.079 45.092 45.100 -0.145 0.000 0.662 670 G HN 0.809 nan 8.290 nan 0.000 0.527 671 G N -2.340 106.081 108.800 -0.633 0.000 2.337 671 G HA2 0.535 5.035 3.960 0.900 0.000 0.298 671 G HA3 0.535 5.035 3.960 0.900 0.000 0.298 671 G C -0.898 173.552 174.900 -0.749 0.000 1.335 671 G CA 0.428 44.826 45.100 -1.169 0.000 0.875 671 G HN 1.895 nan 8.290 nan 0.000 0.579 672 C N 2.092 121.064 119.300 -0.546 0.000 2.887 672 C HA 0.700 5.700 4.460 0.900 0.000 0.379 672 C C -2.587 172.324 174.990 -0.131 0.000 1.064 672 C CA -1.163 57.705 59.018 -0.251 0.000 1.282 672 C CB 1.050 28.657 27.740 -0.221 0.000 1.749 672 C HN 0.692 nan 8.230 nan 0.000 0.489 673 P HA 0.437 nan 4.420 nan 0.000 0.271 673 P C -0.702 176.511 177.300 -0.146 0.000 1.220 673 P CA 0.486 63.221 63.100 -0.609 0.000 0.768 673 P CB 1.212 32.315 31.700 -0.995 0.000 0.848 674 A N 2.391 125.203 122.820 -0.014 0.000 2.459 674 A HA 0.396 5.256 4.320 0.900 0.000 0.296 674 A C -1.099 176.567 177.584 0.137 0.000 1.039 674 A CA -0.540 51.584 52.037 0.145 0.000 0.698 674 A CB 1.174 20.395 19.000 0.368 0.000 1.261 674 A HN 0.431 nan 8.150 nan 0.000 0.405 675 D N 2.156 122.622 120.400 0.110 0.000 2.456 675 D HA 0.145 5.325 4.640 0.900 0.000 0.219 675 D C 0.836 177.285 176.300 0.248 0.000 1.126 675 D CA -0.471 53.626 54.000 0.161 0.000 0.890 675 D CB 0.265 41.115 40.800 0.082 0.000 1.025 675 D HN 0.594 nan 8.370 nan 0.000 0.511 676 W N 3.934 125.286 121.300 0.087 0.000 2.321 676 W HA -0.272 4.928 4.660 0.900 0.000 0.306 676 W C 1.696 178.259 176.519 0.073 0.000 1.217 676 W CA 1.218 58.601 57.345 0.063 0.000 1.257 676 W CB 0.008 29.483 29.460 0.026 0.000 1.145 676 W HN 0.300 nan 8.180 nan 0.000 0.509 677 V N -0.416 119.814 119.914 0.528 0.000 2.380 677 V HA -0.328 4.332 4.120 0.900 0.000 0.251 677 V C 1.592 177.811 176.094 0.208 0.000 1.063 677 V CA 2.155 64.701 62.300 0.411 0.000 1.055 677 V CB -0.943 31.119 31.823 0.399 0.000 0.657 677 V HN 0.325 nan 8.190 nan 0.000 0.455 678 W N -1.379 119.926 121.300 0.009 0.000 2.630 678 W HA 0.205 5.404 4.660 0.899 0.000 0.271 678 W C 2.221 178.654 176.519 -0.144 0.000 1.244 678 W CA 0.096 57.414 57.345 -0.046 0.000 1.353 678 W CB -0.076 29.379 29.460 -0.009 0.000 1.080 678 W HN 0.076 nan 8.180 nan 0.000 0.594 679 I N -0.132 120.431 120.570 -0.012 0.000 2.286 679 I HA -0.085 4.625 4.170 0.900 0.000 0.245 679 I C 0.600 176.533 176.117 -0.306 0.000 1.104 679 I CA 0.805 61.972 61.300 -0.222 0.000 1.397 679 I CB -1.466 36.330 38.000 -0.339 0.000 1.072 679 I HN -0.423 nan 8.210 nan 0.000 0.417 680 V N 4.204 123.842 119.914 -0.461 0.000 2.485 680 V HA 0.036 4.696 4.120 0.900 0.000 0.287 680 V C -1.880 174.035 176.094 -0.297 0.000 1.022 680 V CA -0.902 61.102 62.300 -0.493 0.000 1.067 680 V CB -0.203 31.056 31.823 -0.940 0.000 0.967 680 V HN 0.131 nan 8.190 nan 0.000 0.479 681 P HA 0.114 nan 4.420 nan 0.000 0.268 681 P C -1.903 175.262 177.300 -0.224 0.000 1.208 681 P CA -1.030 61.942 63.100 -0.214 0.000 0.777 681 P CB 0.076 31.651 31.700 -0.207 0.000 0.875 682 P HA 0.051 nan 4.420 nan 0.000 0.249 682 P C -0.083 177.102 177.300 -0.193 0.000 1.229 682 P CA 0.925 63.905 63.100 -0.200 0.000 0.788 682 P CB 0.038 31.614 31.700 -0.206 0.000 1.072 683 M N -4.517 114.929 119.600 -0.257 0.000 2.550 683 M HA 0.560 5.580 4.480 0.900 0.000 0.292 683 M C -0.273 175.901 176.300 -0.210 0.000 1.221 683 M CA -0.657 54.508 55.300 -0.226 0.000 0.873 683 M CB 1.989 34.437 32.600 -0.253 0.000 1.727 683 M HN -0.366 nan 8.290 nan 0.000 0.459 684 S N 0.518 116.152 115.700 -0.110 0.000 3.581 684 S HA -0.174 4.836 4.470 0.900 0.000 0.354 684 S C 1.106 175.671 174.600 -0.060 0.000 1.059 684 S CA 0.776 58.950 58.200 -0.043 0.000 1.060 684 S CB -1.964 61.278 63.200 0.069 0.000 0.908 684 S HN 1.209 nan 8.310 nan 0.000 0.475 685 G N 2.185 110.927 108.800 -0.096 0.000 2.599 685 G HA2 -0.331 4.169 3.960 0.900 0.000 0.219 685 G HA3 -0.331 4.169 3.960 0.900 0.000 0.219 685 G C 1.447 176.235 174.900 -0.187 0.000 1.193 685 G CA 1.576 46.639 45.100 -0.061 0.000 0.778 685 G HN 1.294 nan 8.290 nan 0.000 0.589 686 S N 0.528 115.862 115.700 -0.612 0.000 2.562 686 S HA 0.089 5.099 4.470 0.900 0.000 0.221 686 S C 2.064 176.611 174.600 -0.088 0.000 0.975 686 S CA 0.756 58.424 58.200 -0.886 0.000 0.918 686 S CB -0.342 62.065 63.200 -1.322 0.000 0.772 686 S HN 0.745 nan 8.310 nan 0.000 0.531 687 I N 0.738 121.309 120.570 0.002 0.000 3.812 687 I HA 0.276 4.986 4.170 0.900 0.000 0.320 687 I C 0.303 176.554 176.117 0.223 0.000 1.276 687 I CA -0.309 61.073 61.300 0.137 0.000 1.164 687 I CB -0.472 37.606 38.000 0.129 0.000 1.009 687 I HN 0.222 nan 8.210 nan 0.000 0.431 688 T N -1.840 112.839 114.554 0.208 0.000 2.888 688 T HA 0.486 5.376 4.350 0.900 0.000 0.284 688 T C -1.756 173.118 174.700 0.291 0.000 1.017 688 T CA -1.919 60.316 62.100 0.226 0.000 1.022 688 T CB 1.875 70.826 68.868 0.139 0.000 1.013 688 T HN -0.104 nan 8.240 nan 0.000 0.465 689 P HA -0.027 nan 4.420 nan 0.000 0.225 689 P C 1.780 179.292 177.300 0.353 0.000 1.156 689 P CA 0.629 63.929 63.100 0.333 0.000 0.787 689 P CB -0.301 31.534 31.700 0.225 0.000 0.802 690 V N -3.673 116.392 119.914 0.251 0.000 2.626 690 V HA -0.193 4.467 4.120 0.900 0.000 0.252 690 V C 2.327 178.500 176.094 0.130 0.000 1.067 690 V CA 1.125 63.534 62.300 0.182 0.000 1.081 690 V CB -2.244 29.612 31.823 0.054 0.000 0.686 690 V HN -0.107 nan 8.190 nan 0.000 0.468 691 F N 1.793 121.725 119.950 -0.031 0.000 2.161 691 F HA -0.183 4.884 4.527 0.900 0.000 0.300 691 F C 2.448 178.387 175.800 0.233 0.000 1.089 691 F CA 2.293 60.285 58.000 -0.012 0.000 1.282 691 F CB -0.221 38.665 39.000 -0.189 0.000 1.010 691 F HN 0.286 nan 8.300 nan 0.000 0.485 692 H N -1.182 118.222 119.070 0.557 0.000 2.539 692 H HA 0.105 5.201 4.556 0.900 0.000 0.269 692 H C 0.267 175.847 175.328 0.421 0.000 0.980 692 H CA 0.134 56.470 56.048 0.480 0.000 1.152 692 H CB -0.079 29.942 29.762 0.431 0.000 1.407 692 H HN 0.239 nan 8.280 nan 0.000 0.564 693 Q N 2.155 122.244 119.800 0.480 0.000 2.360 693 Q HA 0.130 5.010 4.340 0.900 0.000 0.254 693 Q C -0.548 175.699 176.000 0.412 0.000 0.975 693 Q CA -0.358 55.674 55.803 0.383 0.000 0.912 693 Q CB 0.579 29.512 28.738 0.325 0.000 1.212 693 Q HN 0.234 nan 8.270 nan 0.000 0.452 694 E N 3.589 123.978 120.200 0.315 0.000 2.452 694 E HA 0.104 4.994 4.350 0.900 0.000 0.261 694 E C -0.516 176.231 176.600 0.245 0.000 0.987 694 E CA 0.587 57.130 56.400 0.238 0.000 0.926 694 E CB 0.629 30.448 29.700 0.197 0.000 0.934 694 E HN 0.594 nan 8.360 nan 0.000 0.452 695 M N 2.788 122.543 119.600 0.259 0.000 2.457 695 M HA 0.366 5.386 4.480 0.900 0.000 0.300 695 M C -1.005 175.432 176.300 0.229 0.000 1.141 695 M CA -0.639 54.832 55.300 0.286 0.000 0.901 695 M CB 1.743 34.565 32.600 0.369 0.000 1.687 695 M HN 0.237 nan 8.290 nan 0.000 0.449 696 L N 2.084 123.463 121.223 0.259 0.000 2.295 696 L HA 0.495 5.375 4.340 0.900 0.000 0.285 696 L C -0.260 176.753 176.870 0.237 0.000 1.035 696 L CA -0.385 54.613 54.840 0.263 0.000 0.806 696 L CB 1.330 43.593 42.059 0.340 0.000 1.214 696 L HN 0.706 nan 8.230 nan 0.000 0.426 697 N N 2.922 121.744 118.700 0.203 0.000 2.408 697 N HA 0.515 5.795 4.740 0.900 0.000 0.280 697 N C -1.668 173.963 175.510 0.200 0.000 1.002 697 N CA -0.406 52.699 53.050 0.093 0.000 0.907 697 N CB 1.236 39.774 38.487 0.085 0.000 1.161 697 N HN 0.494 nan 8.380 nan 0.000 0.488 698 Y N 0.187 120.522 120.300 0.059 0.000 2.670 698 Y HA 0.505 5.595 4.550 0.901 0.000 0.334 698 Y C -1.266 174.653 175.900 0.032 0.000 1.185 698 Y CA -1.361 56.769 58.100 0.051 0.000 1.053 698 Y CB 0.879 39.384 38.460 0.075 0.000 1.298 698 Y HN 0.163 nan 8.280 nan 0.000 0.459 699 R N 2.384 123.001 120.500 0.196 0.000 2.288 699 R HA 0.590 5.470 4.340 0.900 0.000 0.326 699 R C -1.376 174.992 176.300 0.112 0.000 0.959 699 R CA -0.591 55.557 56.100 0.079 0.000 0.834 699 R CB 1.412 31.744 30.300 0.052 0.000 1.157 699 R HN 0.673 nan 8.270 nan 0.000 0.470 700 L N 0.942 122.202 121.223 0.060 0.000 2.334 700 L HA 0.538 5.418 4.340 0.900 0.000 0.270 700 L C 0.541 177.421 176.870 0.015 0.000 1.018 700 L CA -0.740 54.139 54.840 0.065 0.000 0.811 700 L CB 2.024 44.121 42.059 0.063 0.000 1.271 700 L HN 0.420 nan 8.230 nan 0.000 0.443 701 T N 1.076 115.649 114.554 0.031 0.000 2.887 701 T HA 0.502 5.392 4.350 0.900 0.000 0.288 701 T C -2.578 172.159 174.700 0.062 0.000 1.021 701 T CA -1.654 60.456 62.100 0.017 0.000 1.000 701 T CB 1.876 70.761 68.868 0.028 0.000 1.034 701 T HN 0.223 nan 8.240 nan 0.000 0.467 702 P HA 0.219 nan 4.420 nan 0.000 0.267 702 P C -1.184 176.018 177.300 -0.164 0.000 1.201 702 P CA -0.033 63.020 63.100 -0.078 0.000 0.775 702 P CB 0.445 32.091 31.700 -0.090 0.000 0.854 703 S N 0.598 116.148 115.700 -0.250 0.000 2.579 703 S HA 0.630 5.640 4.470 0.900 0.000 0.272 703 S C -1.219 173.137 174.600 -0.407 0.000 1.141 703 S CA -0.859 57.179 58.200 -0.269 0.000 0.843 703 S CB 0.747 63.870 63.200 -0.127 0.000 1.122 703 S HN 0.120 nan 8.310 nan 0.000 0.468 704 F N 1.508 121.367 119.950 -0.151 0.000 2.411 704 F HA 0.547 5.613 4.527 0.899 0.000 0.350 704 F C 0.924 176.601 175.800 -0.206 0.000 1.114 704 F CA -0.239 57.658 58.000 -0.171 0.000 1.135 704 F CB 1.117 39.971 39.000 -0.243 0.000 1.120 704 F HN 0.479 nan 8.300 nan 0.000 0.495 705 E N 2.573 122.781 120.200 0.014 0.000 2.244 705 E HA 0.265 5.155 4.350 0.900 0.000 0.266 705 E C -1.056 175.487 176.600 -0.096 0.000 0.914 705 E CA -0.891 55.457 56.400 -0.086 0.000 0.794 705 E CB 1.834 31.525 29.700 -0.015 0.000 1.210 705 E HN 0.484 nan 8.360 nan 0.000 0.414 706 Y N 1.045 121.359 120.300 0.025 0.000 2.357 706 Y HA 0.079 5.168 4.550 0.899 0.000 0.340 706 Y C 1.153 177.046 175.900 -0.012 0.000 1.260 706 Y CA 0.102 58.203 58.100 0.003 0.000 1.425 706 Y CB 0.821 39.271 38.460 -0.017 0.000 1.326 706 Y HN 0.308 nan 8.280 nan 0.000 0.580 707 Q N 1.205 121.093 119.800 0.148 0.000 2.462 707 Q HA 0.577 5.457 4.340 0.900 0.000 0.285 707 Q C -3.129 172.833 176.000 -0.063 0.000 1.035 707 Q CA -2.443 53.375 55.803 0.025 0.000 0.799 707 Q CB 1.783 30.522 28.738 0.003 0.000 1.452 707 Q HN 0.285 nan 8.270 nan 0.000 0.404 708 P HA 0.140 nan 4.420 nan 0.000 0.271 708 P C -0.969 176.106 177.300 -0.375 0.000 1.218 708 P CA -0.159 62.815 63.100 -0.210 0.000 0.780 708 P CB 0.403 31.993 31.700 -0.183 0.000 0.901 709 D N 3.644 123.705 120.400 -0.565 0.000 2.488 709 D HA -0.028 5.152 4.640 0.900 0.000 0.238 709 D C -1.176 174.424 176.300 -1.167 0.000 1.138 709 D CA -0.755 52.602 54.000 -1.071 0.000 0.873 709 D CB 0.363 40.145 40.800 -1.698 0.000 1.183 709 D HN 0.263 nan 8.370 nan 0.000 0.458 710 P HA -0.133 nan 4.420 nan 0.000 0.220 710 P C 1.373 178.131 177.300 -0.904 0.000 1.148 710 P CA 1.038 63.512 63.100 -1.044 0.000 0.803 710 P CB -0.151 30.618 31.700 -1.551 0.000 0.782 711 W N 0.500 121.336 121.300 -0.772 0.000 2.611 711 W HA 0.052 5.249 4.660 0.894 0.000 0.251 711 W C 1.174 177.691 176.519 -0.002 0.000 1.265 711 W CA 0.359 57.556 57.345 -0.247 0.000 1.295 711 W CB -2.015 27.472 29.460 0.045 0.000 1.129 711 W HN -0.139 nan 8.180 nan 0.000 0.630 712 N N 0.181 118.766 118.700 -0.192 0.000 2.392 712 N HA -0.007 5.273 4.740 0.900 0.000 0.177 712 N C 1.173 176.649 175.510 -0.056 0.000 1.066 712 N CA 1.682 54.695 53.050 -0.062 0.000 0.895 712 N CB -0.208 38.184 38.487 -0.157 0.000 0.988 712 N HN 0.245 nan 8.380 nan 0.000 0.457 713 T N -1.310 113.172 114.554 -0.121 0.000 3.056 713 T HA 0.001 4.891 4.350 0.900 0.000 0.241 713 T C 0.565 175.243 174.700 -0.037 0.000 1.006 713 T CA -0.047 62.002 62.100 -0.085 0.000 1.115 713 T CB -0.084 68.705 68.868 -0.132 0.000 0.939 713 T HN 0.200 nan 8.240 nan 0.000 0.462 714 H N 3.132 122.118 119.070 -0.140 0.000 2.964 714 H HA 0.324 5.423 4.556 0.905 0.000 0.328 714 H C -0.279 174.972 175.328 -0.129 0.000 1.030 714 H CA -0.414 55.541 56.048 -0.156 0.000 1.445 714 H CB 0.331 29.989 29.762 -0.175 0.000 1.449 714 H HN 0.067 nan 8.280 nan 0.000 0.581 715 V N 3.712 123.234 119.914 -0.653 0.000 2.370 715 V HA 0.283 4.943 4.120 0.900 0.000 0.279 715 V C -0.074 175.642 176.094 -0.629 0.000 1.029 715 V CA -1.127 60.929 62.300 -0.408 0.000 0.870 715 V CB 0.083 31.787 31.823 -0.200 0.000 0.984 715 V HN 0.659 nan 8.190 nan 0.000 0.451 716 W N 0.000 121.189 121.300 -0.184 0.000 2.388 716 W HA 0.000 5.194 4.660 0.890 0.000 0.303 716 W CA 0.000 57.330 57.345 -0.025 0.000 1.226 716 W CB 0.000 29.515 29.460 0.091 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535