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 3n60_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 0.000 176.457 176.300 0.262 0.000 0.893 299 R CA 0.000 56.243 56.100 0.238 0.000 0.921 299 R CB 0.000 30.420 30.300 0.199 0.000 0.687 300 F N 1.730 121.750 119.950 0.117 0.000 2.411 300 F HA 0.553 4.569 4.527 -0.852 0.000 0.352 300 F C -0.331 175.504 175.800 0.057 0.000 1.123 300 F CA -0.612 57.454 58.000 0.110 0.000 1.044 300 F CB 1.353 40.386 39.000 0.055 0.000 1.135 300 F HN -0.157 nan 8.300 nan 0.000 0.461 301 L N 4.357 125.652 121.223 0.119 0.000 2.329 301 L HA 0.500 4.328 4.340 -0.853 0.000 0.279 301 L C -0.342 176.571 176.870 0.071 0.000 1.014 301 L CA -0.897 53.946 54.840 0.005 0.000 0.814 301 L CB 1.887 43.803 42.059 -0.237 0.000 1.257 301 L HN 0.487 nan 8.230 nan 0.000 0.424 302 K N 2.364 122.798 120.400 0.056 0.000 2.130 302 K HA 0.607 4.415 4.320 -0.853 0.000 0.268 302 K C -0.946 175.673 176.600 0.030 0.000 0.983 302 K CA -0.617 55.698 56.287 0.046 0.000 0.893 302 K CB 2.234 34.748 32.500 0.024 0.000 1.066 302 K HN 0.404 nan 8.250 nan 0.000 0.450 303 V N -0.381 119.530 119.914 -0.004 0.000 2.588 303 V HA 0.540 4.148 4.120 -0.853 0.000 0.304 303 V C -0.748 175.282 176.094 -0.107 0.000 1.042 303 V CA -0.976 61.313 62.300 -0.018 0.000 0.877 303 V CB 1.564 33.398 31.823 0.018 0.000 0.996 303 V HN 0.727 nan 8.190 nan 0.000 0.425 304 K N 3.443 123.768 120.400 -0.125 0.000 2.203 304 K HA 0.457 4.265 4.320 -0.853 0.000 0.251 304 K C -0.720 175.714 176.600 -0.277 0.000 0.944 304 K CA -0.734 55.370 56.287 -0.306 0.000 0.829 304 K CB 1.668 33.814 32.500 -0.590 0.000 1.125 304 K HN 0.904 nan 8.250 nan 0.000 0.430 305 N N 3.551 122.086 118.700 -0.275 0.000 2.425 305 N HA 0.098 4.326 4.740 -0.853 0.000 0.268 305 N C -0.315 175.078 175.510 -0.196 0.000 0.991 305 N CA -0.306 52.682 53.050 -0.103 0.000 0.931 305 N CB 0.519 38.992 38.487 -0.024 0.000 1.130 305 N HN 0.666 nan 8.380 nan 0.000 0.493 306 W N 2.104 123.495 121.300 0.153 0.000 3.047 306 W HA 0.109 4.257 4.660 -0.853 0.000 0.250 306 W C 1.854 178.410 176.519 0.062 0.000 1.314 306 W CA -0.188 57.237 57.345 0.133 0.000 1.540 306 W CB 0.475 30.058 29.460 0.206 0.000 1.127 306 W HN 0.638 nan 8.180 nan 0.000 0.679 307 E N -0.303 120.002 120.200 0.174 0.000 2.102 307 E HA -0.089 3.749 4.350 -0.853 0.000 0.190 307 E C 2.186 178.790 176.600 0.007 0.000 0.971 307 E CA 1.838 58.240 56.400 0.003 0.000 0.821 307 E CB -0.109 29.564 29.700 -0.046 0.000 0.777 307 E HN 0.085 nan 8.360 nan 0.000 0.460 308 T N -2.877 111.678 114.554 0.003 0.000 3.054 308 T HA 0.170 4.008 4.350 -0.853 0.000 0.255 308 T C 0.226 174.891 174.700 -0.059 0.000 1.035 308 T CA 0.378 62.465 62.100 -0.022 0.000 0.941 308 T CB 0.169 69.027 68.868 -0.017 0.000 1.026 308 T HN -0.019 nan 8.240 nan 0.000 0.533 309 D N 0.149 120.488 120.400 -0.101 0.000 3.028 309 D HA -0.141 3.988 4.640 -0.853 0.000 0.211 309 D C 0.063 176.256 176.300 -0.177 0.000 1.136 309 D CA 0.659 54.557 54.000 -0.169 0.000 0.987 309 D CB -1.842 38.890 40.800 -0.114 0.000 1.128 309 D HN 0.461 nan 8.370 nan 0.000 0.406 310 V N 0.665 120.496 119.914 -0.138 0.000 2.617 310 V HA 0.099 3.707 4.120 -0.853 0.000 0.304 310 V C 0.887 176.876 176.094 -0.176 0.000 1.040 310 V CA 0.190 62.411 62.300 -0.132 0.000 1.149 310 V CB 1.403 33.166 31.823 -0.101 0.000 0.914 310 V HN -0.025 nan 8.190 nan 0.000 0.487 311 V N 6.962 126.781 119.914 -0.158 0.000 2.555 311 V HA 0.563 4.172 4.120 -0.853 0.000 0.302 311 V C -0.178 175.825 176.094 -0.151 0.000 1.038 311 V CA -0.559 61.644 62.300 -0.162 0.000 0.887 311 V CB 1.780 33.523 31.823 -0.133 0.000 0.991 311 V HN 0.628 nan 8.190 nan 0.000 0.434 312 L N 2.999 124.107 121.223 -0.191 0.000 2.370 312 L HA 0.658 4.487 4.340 -0.853 0.000 0.266 312 L C -0.247 176.591 176.870 -0.054 0.000 1.002 312 L CA -0.479 54.223 54.840 -0.230 0.000 0.818 312 L CB 2.732 44.376 42.059 -0.691 0.000 1.325 312 L HN 0.550 nan 8.230 nan 0.000 0.418 313 T N 0.057 114.677 114.554 0.110 0.000 2.758 313 T HA 0.192 4.031 4.350 -0.853 0.000 0.285 313 T C -0.676 174.225 174.700 0.334 0.000 0.981 313 T CA -0.445 61.787 62.100 0.221 0.000 0.965 313 T CB 1.191 70.207 68.868 0.246 0.000 0.927 313 T HN 0.421 nan 8.240 nan 0.000 0.448 314 D N 2.507 123.082 120.400 0.293 0.000 2.249 314 D HA 0.179 4.308 4.640 -0.853 0.000 0.246 314 D C 0.854 177.192 176.300 0.063 0.000 1.114 314 D CA -0.292 53.818 54.000 0.184 0.000 0.854 314 D CB 1.487 42.402 40.800 0.191 0.000 1.132 314 D HN 0.623 nan 8.370 nan 0.000 0.461 315 T N 1.036 115.540 114.554 -0.085 0.000 2.985 315 T HA -0.013 3.826 4.350 -0.853 0.000 0.254 315 T C 1.747 176.264 174.700 -0.305 0.000 1.021 315 T CA -0.278 61.644 62.100 -0.297 0.000 0.957 315 T CB 0.151 68.722 68.868 -0.495 0.000 1.047 315 T HN 0.250 nan 8.240 nan 0.000 0.511 316 L N 2.939 124.050 121.223 -0.186 0.000 2.217 316 L HA 0.001 3.829 4.340 -0.853 0.000 0.211 316 L C 2.599 179.251 176.870 -0.363 0.000 1.107 316 L CA 1.680 56.401 54.840 -0.197 0.000 0.783 316 L CB -0.813 41.206 42.059 -0.066 0.000 0.919 316 L HN 0.551 nan 8.230 nan 0.000 0.442 317 H N -0.767 117.884 119.070 -0.699 0.000 2.492 317 H HA -0.178 3.866 4.556 -0.853 0.000 0.296 317 H C 1.786 176.774 175.328 -0.567 0.000 1.095 317 H CA 1.630 56.964 56.048 -1.190 0.000 1.281 317 H CB -0.866 28.239 29.762 -1.096 0.000 1.374 317 H HN 0.440 nan 8.280 nan 0.000 0.545 318 L N 0.134 120.771 121.223 -0.977 0.000 2.549 318 L HA -0.048 3.780 4.340 -0.853 0.000 0.229 318 L C 1.548 178.216 176.870 -0.336 0.000 1.158 318 L CA 0.863 55.321 54.840 -0.637 0.000 0.842 318 L CB -0.077 41.619 42.059 -0.605 0.000 0.952 318 L HN 0.101 nan 8.230 nan 0.000 0.452 319 K N -0.460 119.769 120.400 -0.285 0.000 2.358 319 K HA 0.078 3.886 4.320 -0.853 0.000 0.197 319 K C 0.847 177.398 176.600 -0.081 0.000 1.025 319 K CA -0.101 56.097 56.287 -0.148 0.000 1.104 319 K CB 0.348 32.782 32.500 -0.109 0.000 0.855 319 K HN 0.181 nan 8.250 nan 0.000 0.531 320 S N -1.141 114.494 115.700 -0.109 0.000 2.568 320 S HA 0.051 4.009 4.470 -0.853 0.000 0.282 320 S C 0.869 175.473 174.600 0.006 0.000 1.338 320 S CA 0.140 58.348 58.200 0.012 0.000 1.045 320 S CB 1.419 64.635 63.200 0.027 0.000 0.873 320 S HN 0.140 nan 8.310 nan 0.000 0.516 321 T N 2.091 116.667 114.554 0.037 0.000 3.409 321 T HA 0.297 4.136 4.350 -0.853 0.000 0.242 321 T C 0.503 175.219 174.700 0.027 0.000 1.000 321 T CA -0.073 62.040 62.100 0.021 0.000 1.180 321 T CB -0.761 68.117 68.868 0.016 0.000 1.210 321 T HN 0.620 nan 8.240 nan 0.000 0.373 322 L N 2.632 123.873 121.223 0.029 0.000 2.453 322 L HA 0.223 4.052 4.340 -0.853 0.000 0.274 322 L C 0.617 177.509 176.870 0.037 0.000 1.270 322 L CA -0.222 54.634 54.840 0.027 0.000 0.822 322 L CB 0.038 42.108 42.059 0.018 0.000 1.091 322 L HN 0.341 nan 8.230 nan 0.000 0.546 323 E N -0.089 120.131 120.200 0.034 0.000 2.349 323 E HA 0.098 3.936 4.350 -0.853 0.000 0.265 323 E C 0.865 177.493 176.600 0.047 0.000 1.064 323 E CA 0.299 56.723 56.400 0.040 0.000 0.886 323 E CB 1.118 30.839 29.700 0.036 0.000 1.036 323 E HN 0.744 nan 8.360 nan 0.000 0.413 324 T N -1.594 112.993 114.554 0.054 0.000 3.043 324 T HA 0.142 3.981 4.350 -0.853 0.000 0.263 324 T C 1.373 176.104 174.700 0.051 0.000 1.094 324 T CA 0.645 62.779 62.100 0.057 0.000 1.127 324 T CB 0.052 68.961 68.868 0.068 0.000 0.905 324 T HN 0.714 nan 8.240 nan 0.000 0.490 325 G N 0.506 109.335 108.800 0.049 0.000 2.284 325 G HA2 -0.268 3.180 3.960 -0.853 0.000 0.230 325 G HA3 -0.268 3.180 3.960 -0.853 0.000 0.230 325 G C 0.374 175.302 174.900 0.048 0.000 1.021 325 G CA -0.140 44.988 45.100 0.047 0.000 0.619 325 G HN 0.783 nan 8.290 nan 0.000 0.510 326 C N 1.871 121.202 119.300 0.050 0.000 2.520 326 C HA 0.793 4.742 4.460 -0.853 0.000 0.376 326 C C 1.125 176.146 174.990 0.051 0.000 1.268 326 C CA 0.526 59.574 59.018 0.050 0.000 2.414 326 C CB 0.779 28.547 27.740 0.047 0.000 2.521 326 C HN 1.017 nan 8.230 nan 0.000 0.618 327 T N -1.528 113.060 114.554 0.058 0.000 2.888 327 T HA 0.390 4.228 4.350 -0.853 0.000 0.288 327 T C 0.427 175.159 174.700 0.053 0.000 1.063 327 T CA -0.482 61.659 62.100 0.068 0.000 1.010 327 T CB 1.054 69.981 68.868 0.099 0.000 1.214 327 T HN 0.552 nan 8.240 nan 0.000 0.533 328 E N -0.405 119.820 120.200 0.040 0.000 2.267 328 E HA -0.111 3.728 4.350 -0.853 0.000 0.197 328 E C 1.646 178.173 176.600 -0.122 0.000 0.998 328 E CA 1.357 57.730 56.400 -0.045 0.000 0.830 328 E CB -0.174 29.476 29.700 -0.082 0.000 0.751 328 E HN 0.593 nan 8.360 nan 0.000 0.491 329 H N -1.400 117.676 119.070 0.011 0.000 2.553 329 H HA 0.324 4.368 4.556 -0.853 0.000 0.276 329 H C 0.266 175.599 175.328 0.009 0.000 0.979 329 H CA 0.412 56.465 56.048 0.009 0.000 1.268 329 H CB 0.989 30.757 29.762 0.009 0.000 1.450 329 H HN 0.108 nan 8.280 nan 0.000 0.527 330 I N 0.412 121.052 120.570 0.118 0.000 2.610 330 I HA 0.170 3.828 4.170 -0.853 0.000 0.289 330 I C -1.208 174.939 176.117 0.050 0.000 1.163 330 I CA -0.670 60.673 61.300 0.073 0.000 1.044 330 I CB 1.808 39.851 38.000 0.071 0.000 1.251 330 I HN -0.016 nan 8.210 nan 0.000 0.424 331 C N 7.880 127.201 119.300 0.035 0.000 2.285 331 C HA 0.510 4.458 4.460 -0.853 0.000 0.335 331 C C 0.895 175.908 174.990 0.038 0.000 1.267 331 C CA -0.470 58.567 59.018 0.031 0.000 1.762 331 C CB 0.212 27.961 27.740 0.015 0.000 2.365 331 C HN 0.894 nan 8.230 nan 0.000 0.527 332 M N 4.911 124.539 119.600 0.046 0.000 2.560 332 M HA 0.179 4.147 4.480 -0.853 0.000 0.297 332 M C 1.857 178.197 176.300 0.066 0.000 1.201 332 M CA 0.096 55.428 55.300 0.053 0.000 0.973 332 M CB 0.077 32.709 32.600 0.053 0.000 1.401 332 M HN 1.031 nan 8.290 nan 0.000 0.497 333 G N 0.971 109.809 108.800 0.063 0.000 2.499 333 G HA2 -0.206 3.242 3.960 -0.853 0.000 0.221 333 G HA3 -0.206 3.242 3.960 -0.853 0.000 0.221 333 G C 1.349 176.322 174.900 0.122 0.000 1.109 333 G CA 1.423 46.572 45.100 0.083 0.000 0.749 333 G HN 0.584 nan 8.290 nan 0.000 0.568 334 S N -0.356 115.409 115.700 0.109 0.000 2.554 334 S HA 0.386 4.345 4.470 -0.853 0.000 0.226 334 S C 0.519 175.199 174.600 0.133 0.000 0.980 334 S CA -0.668 57.615 58.200 0.137 0.000 0.939 334 S CB 0.212 63.474 63.200 0.102 0.000 0.832 334 S HN 0.030 nan 8.310 nan 0.000 0.486 335 I N 2.813 123.452 120.570 0.115 0.000 2.416 335 I HA 0.221 3.880 4.170 -0.853 0.000 0.288 335 I C 1.505 177.707 176.117 0.142 0.000 1.051 335 I CA -0.289 61.074 61.300 0.105 0.000 1.375 335 I CB 0.227 38.271 38.000 0.073 0.000 1.407 335 I HN 0.208 nan 8.210 nan 0.000 0.516 336 M N 6.307 125.997 119.600 0.150 0.000 2.175 336 M HA -0.013 3.955 4.480 -0.853 0.000 0.264 336 M C 0.740 177.105 176.300 0.108 0.000 1.063 336 M CA 1.522 56.944 55.300 0.203 0.000 1.119 336 M CB -0.521 32.199 32.600 0.201 0.000 1.377 336 M HN 0.411 nan 8.290 nan 0.000 0.415 337 L N 0.436 121.684 121.223 0.041 0.000 2.445 337 L HA 0.377 4.206 4.340 -0.853 0.000 0.252 337 L C -2.187 174.714 176.870 0.052 0.000 1.105 337 L CA -1.634 53.226 54.840 0.033 0.000 0.943 337 L CB 0.089 42.117 42.059 -0.052 0.000 1.277 337 L HN -0.029 nan 8.230 nan 0.000 0.465 351 K N 0.368 120.793 120.400 0.041 0.000 2.074 351 K HA -0.181 3.627 4.320 -0.853 0.000 0.209 351 K C 1.196 177.837 176.600 0.068 0.000 1.048 351 K CA 2.249 58.567 56.287 0.052 0.000 0.926 351 K CB -0.270 32.247 32.500 0.029 0.000 0.713 351 K HN 0.525 nan 8.250 nan 0.000 0.444 352 D N 0.715 121.146 120.400 0.051 0.000 2.144 352 D HA -0.150 3.978 4.640 -0.853 0.000 0.199 352 D C 1.891 178.233 176.300 0.070 0.000 0.984 352 D CA 1.206 55.240 54.000 0.057 0.000 0.834 352 D CB -0.167 40.655 40.800 0.037 0.000 0.955 352 D HN 0.338 nan 8.370 nan 0.000 0.465 353 Q N -0.517 119.318 119.800 0.059 0.000 2.187 353 Q HA 0.026 3.854 4.340 -0.853 0.000 0.199 353 Q C 1.946 177.986 176.000 0.066 0.000 0.957 353 Q CA 0.316 56.151 55.803 0.052 0.000 0.857 353 Q CB 0.038 28.798 28.738 0.037 0.000 0.929 353 Q HN 0.192 nan 8.270 nan 0.000 0.453 354 L N -0.095 121.182 121.223 0.090 0.000 2.095 354 L HA -0.048 3.780 4.340 -0.853 0.000 0.204 354 L C 1.963 178.905 176.870 0.120 0.000 1.080 354 L CA 1.401 56.309 54.840 0.113 0.000 0.759 354 L CB -0.483 41.661 42.059 0.142 0.000 0.914 354 L HN 0.089 nan 8.230 nan 0.000 0.439 355 F N 1.148 121.098 119.950 -0.001 0.000 2.134 355 F HA -0.078 3.937 4.527 -0.853 0.000 0.299 355 F C -0.595 175.197 175.800 -0.014 0.000 1.097 355 F CA 1.260 59.239 58.000 -0.035 0.000 1.264 355 F CB -1.566 37.404 39.000 -0.049 0.000 1.001 355 F HN 0.168 nan 8.300 nan 0.000 0.479 356 P HA -0.180 nan 4.420 nan 0.000 0.215 356 P C 2.119 179.332 177.300 -0.145 0.000 1.153 356 P CA 1.726 64.746 63.100 -0.135 0.000 0.853 356 P CB -0.133 31.558 31.700 -0.015 0.000 0.788 357 L N -0.948 120.237 121.223 -0.064 0.000 2.012 357 L HA -0.213 3.615 4.340 -0.853 0.000 0.210 357 L C 2.539 179.411 176.870 0.003 0.000 1.073 357 L CA 1.780 56.616 54.840 -0.008 0.000 0.748 357 L CB -1.409 40.668 42.059 0.030 0.000 0.891 357 L HN -0.041 nan 8.230 nan 0.000 0.431 358 A N 0.359 123.129 122.820 -0.083 0.000 1.865 358 A HA -0.297 3.511 4.320 -0.853 0.000 0.217 358 A C 2.405 179.886 177.584 -0.173 0.000 1.191 358 A CA 2.301 54.265 52.037 -0.122 0.000 0.623 358 A CB -0.568 18.176 19.000 -0.427 0.000 0.826 358 A HN 0.366 nan 8.150 nan 0.000 0.444 359 K N -0.342 119.763 120.400 -0.491 0.000 2.009 359 K HA -0.231 3.577 4.320 -0.853 0.000 0.210 359 K C 2.161 178.698 176.600 -0.105 0.000 1.049 359 K CA 1.776 57.823 56.287 -0.400 0.000 0.929 359 K CB -0.253 31.892 32.500 -0.592 0.000 0.714 359 K HN 0.599 nan 8.250 nan 0.000 0.440 360 E N -0.228 119.935 120.200 -0.061 0.000 2.070 360 E HA -0.246 3.592 4.350 -0.853 0.000 0.197 360 E C 1.936 178.599 176.600 0.105 0.000 1.004 360 E CA 1.623 58.042 56.400 0.032 0.000 0.805 360 E CB -0.248 29.472 29.700 0.034 0.000 0.744 360 E HN 0.404 nan 8.360 nan 0.000 0.451 361 F N 1.284 121.241 119.950 0.012 0.000 2.102 361 F HA -0.130 3.886 4.527 -0.852 0.000 0.298 361 F C 2.080 177.939 175.800 0.098 0.000 1.105 361 F CA 1.304 59.345 58.000 0.067 0.000 1.239 361 F CB -0.299 38.754 39.000 0.088 0.000 0.991 361 F HN -0.015 nan 8.300 nan 0.000 0.474 362 L N -0.082 121.114 121.223 -0.045 0.000 2.141 362 L HA -0.193 3.635 4.340 -0.853 0.000 0.209 362 L C 2.103 178.992 176.870 0.032 0.000 1.094 362 L CA 1.223 56.051 54.840 -0.020 0.000 0.763 362 L CB -0.883 41.273 42.059 0.162 0.000 0.908 362 L HN 0.080 nan 8.230 nan 0.000 0.437 363 D N 0.148 120.584 120.400 0.060 0.000 2.104 363 D HA -0.226 3.903 4.640 -0.853 0.000 0.194 363 D C 2.295 178.620 176.300 0.041 0.000 0.994 363 D CA 1.574 55.645 54.000 0.117 0.000 0.830 363 D CB -0.195 40.763 40.800 0.263 0.000 0.959 363 D HN 0.538 nan 8.370 nan 0.000 0.452 364 Q N -0.631 119.129 119.800 -0.066 0.000 2.079 364 Q HA -0.201 3.627 4.340 -0.853 0.000 0.200 364 Q C 2.201 177.999 176.000 -0.338 0.000 0.974 364 Q CA 0.988 56.715 55.803 -0.127 0.000 0.840 364 Q CB -0.764 27.946 28.738 -0.047 0.000 0.898 364 Q HN 0.358 nan 8.270 nan 0.000 0.430 365 Y N 0.808 120.652 120.300 -0.759 0.000 2.097 365 Y HA -0.293 3.746 4.550 -0.852 0.000 0.282 365 Y C 1.689 177.124 175.900 -0.775 0.000 1.152 365 Y CA 1.665 59.073 58.100 -1.153 0.000 1.136 365 Y CB -0.489 37.208 38.460 -1.272 0.000 0.975 365 Y HN 0.091 nan 8.280 nan 0.000 0.498 366 Y N -0.897 119.027 120.300 -0.627 0.000 2.293 366 Y HA -0.185 3.853 4.550 -0.853 0.000 0.291 366 Y C 3.068 178.723 175.900 -0.407 0.000 1.137 366 Y CA 1.686 59.406 58.100 -0.633 0.000 1.202 366 Y CB -0.722 37.242 38.460 -0.825 0.000 0.990 366 Y HN 0.206 nan 8.280 nan 0.000 0.537 367 S N -0.410 115.232 115.700 -0.097 0.000 2.368 367 S HA -0.226 3.733 4.470 -0.853 0.000 0.225 367 S C 2.366 176.859 174.600 -0.178 0.000 1.030 367 S CA 1.700 59.870 58.200 -0.051 0.000 0.999 367 S CB -0.685 62.459 63.200 -0.094 0.000 0.844 367 S HN 0.606 nan 8.310 nan 0.000 0.459 368 S N 1.808 117.334 115.700 -0.289 0.000 2.419 368 S HA -0.067 3.891 4.470 -0.853 0.000 0.233 368 S C 1.573 176.012 174.600 -0.267 0.000 1.016 368 S CA 1.127 59.183 58.200 -0.240 0.000 0.974 368 S CB -0.966 62.096 63.200 -0.231 0.000 0.786 368 S HN 0.819 nan 8.310 nan 0.000 0.492 369 I N -2.570 117.743 120.570 -0.428 0.000 3.884 369 I HA 0.435 4.094 4.170 -0.853 0.000 0.330 369 I C -0.079 175.921 176.117 -0.195 0.000 1.451 369 I CA -0.705 60.394 61.300 -0.336 0.000 1.165 369 I CB -0.471 37.228 38.000 -0.502 0.000 1.097 369 I HN -0.023 nan 8.210 nan 0.000 0.404 370 K N 1.897 122.213 120.400 -0.140 0.000 3.096 370 K HA -0.175 3.634 4.320 -0.853 0.000 0.266 370 K C 0.222 176.812 176.600 -0.016 0.000 1.043 370 K CA 0.599 56.851 56.287 -0.059 0.000 0.758 370 K CB -1.369 31.103 32.500 -0.046 0.000 1.260 370 K HN 0.615 nan 8.250 nan 0.000 0.481 371 R N 0.076 120.580 120.500 0.005 0.000 2.642 371 R HA 0.146 3.974 4.340 -0.853 0.000 0.435 371 R C -0.246 176.124 176.300 0.117 0.000 1.046 371 R CA -0.444 55.703 56.100 0.079 0.000 1.103 371 R CB 0.323 30.704 30.300 0.134 0.000 1.425 371 R HN 0.117 nan 8.270 nan 0.000 0.586 372 F N 1.057 120.981 119.950 -0.042 0.000 2.578 372 F HA 0.143 4.158 4.527 -0.853 0.000 0.376 372 F C 1.512 177.382 175.800 0.117 0.000 1.085 372 F CA 1.879 59.860 58.000 -0.032 0.000 1.260 372 F CB 0.810 39.775 39.000 -0.059 0.000 1.095 372 F HN 0.448 nan 8.300 nan 0.000 0.573 373 G N 3.136 111.846 108.800 -0.150 0.000 2.189 373 G HA2 -0.310 3.138 3.960 -0.853 0.000 0.267 373 G HA3 -0.310 3.138 3.960 -0.853 0.000 0.267 373 G C 0.289 175.135 174.900 -0.089 0.000 0.975 373 G CA 0.441 45.444 45.100 -0.161 0.000 0.644 373 G HN 1.162 nan 8.290 nan 0.000 0.537 374 S N -0.713 114.968 115.700 -0.031 0.000 2.593 374 S HA 0.484 4.442 4.470 -0.853 0.000 0.269 374 S C 1.366 175.905 174.600 -0.101 0.000 1.334 374 S CA 0.565 58.743 58.200 -0.036 0.000 1.015 374 S CB 1.834 65.042 63.200 0.013 0.000 0.912 374 S HN 0.519 nan 8.310 nan 0.000 0.541 375 K N 1.444 121.797 120.400 -0.077 0.000 2.044 375 K HA -0.176 3.632 4.320 -0.853 0.000 0.210 375 K C 2.276 178.807 176.600 -0.115 0.000 1.049 375 K CA 1.568 57.797 56.287 -0.096 0.000 0.927 375 K CB -0.973 31.492 32.500 -0.059 0.000 0.713 375 K HN 0.797 nan 8.250 nan 0.000 0.443 376 A N 0.689 123.467 122.820 -0.070 0.000 1.917 376 A HA -0.271 3.537 4.320 -0.853 0.000 0.219 376 A C 2.103 179.526 177.584 -0.268 0.000 1.182 376 A CA 1.989 53.994 52.037 -0.052 0.000 0.633 376 A CB -1.089 17.961 19.000 0.082 0.000 0.819 376 A HN 0.678 nan 8.150 nan 0.000 0.448 377 H N -1.196 117.478 119.070 -0.660 0.000 2.267 377 H HA -0.167 3.878 4.556 -0.853 0.000 0.297 377 H C 2.051 176.989 175.328 -0.650 0.000 1.080 377 H CA 1.792 57.108 56.048 -1.220 0.000 1.278 377 H CB -0.122 29.090 29.762 -0.916 0.000 1.365 377 H HN 0.338 nan 8.280 nan 0.000 0.489 378 M N 0.932 120.212 119.600 -0.533 0.000 2.149 378 M HA -0.158 3.811 4.480 -0.853 0.000 0.261 378 M C 1.668 177.813 176.300 -0.258 0.000 1.064 378 M CA 1.183 56.219 55.300 -0.440 0.000 1.102 378 M CB -0.853 31.559 32.600 -0.314 0.000 1.369 378 M HN 0.351 nan 8.290 nan 0.000 0.408 379 D N -0.393 119.891 120.400 -0.194 0.000 2.178 379 D HA -0.129 3.999 4.640 -0.853 0.000 0.202 379 D C 2.113 178.369 176.300 -0.073 0.000 0.974 379 D CA 0.982 54.918 54.000 -0.108 0.000 0.841 379 D CB -0.216 40.543 40.800 -0.069 0.000 0.953 379 D HN 0.320 nan 8.370 nan 0.000 0.478 380 R N 0.184 120.630 120.500 -0.090 0.000 2.093 380 R HA -0.036 3.792 4.340 -0.853 0.000 0.224 380 R C 1.952 178.258 176.300 0.010 0.000 1.101 380 R CA 0.605 56.709 56.100 0.006 0.000 0.979 380 R CB -0.531 29.831 30.300 0.104 0.000 0.877 380 R HN -0.008 nan 8.270 nan 0.000 0.441 381 L N 1.383 122.573 121.223 -0.055 0.000 2.012 381 L HA -0.128 3.700 4.340 -0.853 0.000 0.210 381 L C 2.285 179.206 176.870 0.085 0.000 1.073 381 L CA 2.265 57.121 54.840 0.027 0.000 0.748 381 L CB -0.972 41.035 42.059 -0.087 0.000 0.891 381 L HN 0.369 nan 8.230 nan 0.000 0.431 382 E N -0.283 119.903 120.200 -0.023 0.000 2.051 382 E HA -0.270 3.568 4.350 -0.853 0.000 0.192 382 E C 2.165 178.735 176.600 -0.050 0.000 0.991 382 E CA 1.748 58.112 56.400 -0.061 0.000 0.799 382 E CB -0.263 29.390 29.700 -0.078 0.000 0.748 382 E HN 0.526 nan 8.360 nan 0.000 0.449 383 E N -0.492 119.698 120.200 -0.017 0.000 2.085 383 E HA -0.178 3.660 4.350 -0.853 0.000 0.194 383 E C 2.003 178.613 176.600 0.017 0.000 0.994 383 E CA 1.586 57.989 56.400 0.005 0.000 0.801 383 E CB 0.018 29.737 29.700 0.031 0.000 0.743 383 E HN 0.248 nan 8.360 nan 0.000 0.453 384 V N 1.939 121.871 119.914 0.030 0.000 2.379 384 V HA -0.229 3.379 4.120 -0.853 0.000 0.245 384 V C 2.436 178.526 176.094 -0.007 0.000 1.044 384 V CA 1.744 64.039 62.300 -0.008 0.000 1.036 384 V CB -0.726 31.014 31.823 -0.138 0.000 0.664 384 V HN 0.432 nan 8.190 nan 0.000 0.453 385 N N 0.637 119.329 118.700 -0.013 0.000 2.061 385 N HA -0.247 3.981 4.740 -0.853 0.000 0.193 385 N C 1.917 177.280 175.510 -0.245 0.000 1.030 385 N CA 1.832 54.641 53.050 -0.402 0.000 0.856 385 N CB -0.062 38.002 38.487 -0.705 0.000 1.023 385 N HN 0.482 nan 8.380 nan 0.000 0.424 386 K N 0.530 120.846 120.400 -0.140 0.000 2.057 386 K HA -0.148 3.660 4.320 -0.853 0.000 0.207 386 K C 2.000 178.573 176.600 -0.045 0.000 1.049 386 K CA 1.253 57.486 56.287 -0.090 0.000 0.931 386 K CB -0.118 32.349 32.500 -0.055 0.000 0.714 386 K HN 0.350 nan 8.250 nan 0.000 0.440 387 E N 0.861 121.058 120.200 -0.006 0.000 2.158 387 E HA -0.112 3.726 4.350 -0.853 0.000 0.191 387 E C 1.920 178.553 176.600 0.055 0.000 0.982 387 E CA 0.494 56.919 56.400 0.042 0.000 0.823 387 E CB 0.111 29.869 29.700 0.096 0.000 0.766 387 E HN 0.228 nan 8.360 nan 0.000 0.468 388 I N 1.323 121.920 120.570 0.046 0.000 2.142 388 I HA -0.240 3.418 4.170 -0.853 0.000 0.240 388 I C 2.441 178.563 176.117 0.009 0.000 1.078 388 I CA 0.955 62.290 61.300 0.058 0.000 1.343 388 I CB -0.288 37.753 38.000 0.068 0.000 1.046 388 I HN 0.100 nan 8.210 nan 0.000 0.405 389 E N 0.345 120.518 120.200 -0.045 0.000 2.097 389 E HA -0.253 3.586 4.350 -0.853 0.000 0.196 389 E C 2.271 178.855 176.600 -0.026 0.000 1.000 389 E CA 1.824 58.192 56.400 -0.054 0.000 0.804 389 E CB -0.275 29.371 29.700 -0.091 0.000 0.740 389 E HN 0.389 nan 8.360 nan 0.000 0.454 390 S N -0.303 115.387 115.700 -0.016 0.000 2.356 390 S HA -0.073 3.885 4.470 -0.853 0.000 0.219 390 S C 2.008 176.611 174.600 0.006 0.000 1.036 390 S CA 1.772 59.968 58.200 -0.006 0.000 0.965 390 S CB -0.076 63.122 63.200 -0.002 0.000 0.864 390 S HN 0.394 nan 8.310 nan 0.000 0.471 391 T N -1.169 113.397 114.554 0.019 0.000 3.069 391 T HA 0.247 4.086 4.350 -0.853 0.000 0.252 391 T C 1.102 175.816 174.700 0.025 0.000 1.053 391 T CA 1.120 63.234 62.100 0.022 0.000 0.964 391 T CB -0.120 68.768 68.868 0.033 0.000 1.005 391 T HN 1.089 nan 8.240 nan 0.000 0.532 392 S N -0.967 114.752 115.700 0.031 0.000 3.011 392 S HA -0.237 3.721 4.470 -0.853 0.000 0.278 392 S C 0.350 174.988 174.600 0.063 0.000 1.300 392 S CA 1.620 59.843 58.200 0.038 0.000 1.248 392 S CB -2.709 60.502 63.200 0.018 0.000 1.517 392 S HN 1.076 nan 8.310 nan 0.000 0.685 393 T N -0.119 114.484 114.554 0.082 0.000 2.654 393 T HA 0.741 4.580 4.350 -0.853 0.000 0.289 393 T C -1.278 173.561 174.700 0.231 0.000 1.062 393 T CA -0.082 62.089 62.100 0.118 0.000 1.041 393 T CB 1.484 70.354 68.868 0.003 0.000 1.417 393 T HN 1.319 nan 8.240 nan 0.000 0.510 394 Y N -0.724 119.582 120.300 0.010 0.000 2.670 394 Y HA 0.801 4.840 4.550 -0.851 0.000 0.334 394 Y C -1.512 174.403 175.900 0.023 0.000 1.185 394 Y CA -1.262 56.856 58.100 0.030 0.000 1.053 394 Y CB 1.078 39.576 38.460 0.064 0.000 1.298 394 Y HN 0.368 nan 8.280 nan 0.000 0.459 395 Q N 2.267 122.082 119.800 0.025 0.000 2.337 395 Q HA 0.469 4.297 4.340 -0.853 0.000 0.266 395 Q C -1.015 174.999 176.000 0.023 0.000 1.023 395 Q CA -0.802 54.965 55.803 -0.060 0.000 0.829 395 Q CB 2.890 31.639 28.738 0.018 0.000 1.306 395 Q HN 0.793 nan 8.270 nan 0.000 0.449 396 L N 2.211 123.410 121.223 -0.041 0.000 2.397 396 L HA 0.198 4.026 4.340 -0.853 0.000 0.271 396 L C 0.835 177.735 176.870 0.049 0.000 1.148 396 L CA -0.377 54.495 54.840 0.054 0.000 0.825 396 L CB 0.306 42.374 42.059 0.015 0.000 1.117 396 L HN 0.197 nan 8.230 nan 0.000 0.456 397 K N 1.823 122.257 120.400 0.056 0.000 2.319 397 K HA -0.003 3.805 4.320 -0.853 0.000 0.265 397 K C 0.496 177.085 176.600 -0.018 0.000 1.000 397 K CA -0.263 56.034 56.287 0.018 0.000 0.943 397 K CB 0.634 33.136 32.500 0.005 0.000 0.950 397 K HN 0.477 nan 8.250 nan 0.000 0.485 398 D N 0.928 121.319 120.400 -0.016 0.000 2.149 398 D HA -0.180 3.949 4.640 -0.853 0.000 0.194 398 D C 1.721 178.003 176.300 -0.031 0.000 1.001 398 D CA 2.228 56.211 54.000 -0.029 0.000 0.849 398 D CB -0.299 40.491 40.800 -0.016 0.000 0.939 398 D HN 0.741 nan 8.370 nan 0.000 0.449 399 T N -1.202 113.333 114.554 -0.032 0.000 2.788 399 T HA -0.133 3.706 4.350 -0.853 0.000 0.268 399 T C 1.805 176.450 174.700 -0.092 0.000 1.044 399 T CA 1.168 63.257 62.100 -0.018 0.000 1.139 399 T CB -0.358 68.522 68.868 0.021 0.000 0.867 399 T HN 0.227 nan 8.240 nan 0.000 0.454 400 E N 0.734 120.794 120.200 -0.232 0.000 2.106 400 E HA 0.027 3.865 4.350 -0.853 0.000 0.192 400 E C 2.071 178.738 176.600 0.111 0.000 0.984 400 E CA 0.813 57.106 56.400 -0.177 0.000 0.806 400 E CB -0.264 29.385 29.700 -0.085 0.000 0.750 400 E HN 0.325 nan 8.360 nan 0.000 0.458 401 L N 0.886 122.105 121.223 -0.005 0.000 2.027 401 L HA -0.142 3.686 4.340 -0.853 0.000 0.206 401 L C 2.026 178.870 176.870 -0.043 0.000 1.074 401 L CA 1.517 56.304 54.840 -0.087 0.000 0.745 401 L CB -0.107 41.859 42.059 -0.155 0.000 0.898 401 L HN 0.090 nan 8.230 nan 0.000 0.433 402 I N -1.862 118.714 120.570 0.011 0.000 2.252 402 I HA -0.299 3.359 4.170 -0.853 0.000 0.245 402 I C 2.315 178.528 176.117 0.160 0.000 1.102 402 I CA 1.369 62.693 61.300 0.040 0.000 1.385 402 I CB -0.454 37.565 38.000 0.033 0.000 1.064 402 I HN 0.327 nan 8.210 nan 0.000 0.414 403 Y N 1.712 122.091 120.300 0.131 0.000 2.145 403 Y HA -0.189 3.849 4.550 -0.853 0.000 0.286 403 Y C 2.428 178.518 175.900 0.317 0.000 1.145 403 Y CA 1.706 59.968 58.100 0.271 0.000 1.148 403 Y CB -0.808 37.807 38.460 0.259 0.000 0.981 403 Y HN 0.082 nan 8.280 nan 0.000 0.507 404 G N -0.137 108.856 108.800 0.321 0.000 2.440 404 G HA2 -0.281 3.167 3.960 -0.853 0.000 0.218 404 G HA3 -0.281 3.167 3.960 -0.853 0.000 0.218 404 G C 1.798 176.656 174.900 -0.069 0.000 1.154 404 G CA 1.086 46.265 45.100 0.132 0.000 0.767 404 G HN 0.627 nan 8.290 nan 0.000 0.552 405 A N 0.803 123.577 122.820 -0.077 0.000 1.877 405 A HA 0.015 3.823 4.320 -0.853 0.000 0.216 405 A C 2.296 179.898 177.584 0.031 0.000 1.186 405 A CA 1.959 53.941 52.037 -0.092 0.000 0.620 405 A CB -0.387 18.569 19.000 -0.073 0.000 0.822 405 A HN 0.361 nan 8.150 nan 0.000 0.443 406 K N -1.420 119.046 120.400 0.109 0.000 2.152 406 K HA -0.182 3.626 4.320 -0.853 0.000 0.206 406 K C 1.882 178.516 176.600 0.056 0.000 1.048 406 K CA 1.775 58.199 56.287 0.228 0.000 0.933 406 K CB -0.262 32.411 32.500 0.289 0.000 0.721 406 K HN 0.669 nan 8.250 nan 0.000 0.447 407 H N -0.567 118.399 119.070 -0.173 0.000 2.448 407 H HA 0.109 4.153 4.556 -0.853 0.000 0.292 407 H C 1.837 177.000 175.328 -0.274 0.000 1.035 407 H CA 0.979 56.811 56.048 -0.360 0.000 1.349 407 H CB 0.078 29.522 29.762 -0.530 0.000 1.425 407 H HN 0.218 nan 8.280 nan 0.000 0.539 408 A N 0.435 123.138 122.820 -0.195 0.000 1.940 408 A HA -0.211 3.598 4.320 -0.853 0.000 0.219 408 A C 2.003 179.532 177.584 -0.092 0.000 1.176 408 A CA 1.535 53.329 52.037 -0.404 0.000 0.631 408 A CB -0.882 17.483 19.000 -1.060 0.000 0.814 408 A HN 0.615 nan 8.150 nan 0.000 0.446 409 W N 0.744 121.999 121.300 -0.076 0.000 2.407 409 W HA -0.067 4.084 4.660 -0.849 0.000 0.305 409 W C 2.299 178.756 176.519 -0.102 0.000 1.196 409 W CA 1.325 58.693 57.345 0.039 0.000 1.311 409 W CB -0.711 28.776 29.460 0.045 0.000 1.135 409 W HN 0.332 nan 8.180 nan 0.000 0.514 410 R N 0.271 120.622 120.500 -0.248 0.000 2.133 410 R HA -0.212 3.616 4.340 -0.853 0.000 0.247 410 R C 1.417 177.504 176.300 -0.356 0.000 1.151 410 R CA 1.869 57.578 56.100 -0.653 0.000 0.971 410 R CB -0.525 28.960 30.300 -1.357 0.000 0.866 410 R HN 0.132 nan 8.270 nan 0.000 0.447 411 N N -0.071 118.496 118.700 -0.221 0.000 2.398 411 N HA 0.033 4.261 4.740 -0.853 0.000 0.188 411 N C -0.450 175.007 175.510 -0.089 0.000 1.122 411 N CA 0.494 53.451 53.050 -0.156 0.000 0.866 411 N CB 0.629 39.036 38.487 -0.133 0.000 0.970 411 N HN 0.138 nan 8.380 nan 0.000 0.462 412 A N 1.064 123.884 122.820 0.000 0.000 2.545 412 A HA 0.167 3.975 4.320 -0.853 0.000 0.297 412 A C 1.393 178.966 177.584 -0.019 0.000 1.340 412 A CA -0.215 51.839 52.037 0.029 0.000 1.016 412 A CB -0.255 18.834 19.000 0.148 0.000 1.122 412 A HN 0.268 nan 8.150 nan 0.000 0.537 413 S N 2.567 118.212 115.700 -0.090 0.000 2.474 413 S HA -0.125 3.834 4.470 -0.853 0.000 0.235 413 S C 1.434 175.981 174.600 -0.088 0.000 0.997 413 S CA 0.865 59.009 58.200 -0.093 0.000 0.949 413 S CB -0.186 62.923 63.200 -0.151 0.000 0.766 413 S HN 0.754 nan 8.310 nan 0.000 0.517 414 R N -0.336 120.078 120.500 -0.144 0.000 2.310 414 R HA 0.261 4.089 4.340 -0.853 0.000 0.202 414 R C 0.126 176.420 176.300 -0.011 0.000 0.933 414 R CA 0.018 56.035 56.100 -0.137 0.000 1.054 414 R CB -0.165 29.839 30.300 -0.493 0.000 0.985 414 R HN 0.416 nan 8.270 nan 0.000 0.489 415 C N 0.481 119.774 119.300 -0.011 0.000 2.255 415 C HA 0.228 4.176 4.460 -0.853 0.000 0.326 415 C C 1.928 176.879 174.990 -0.064 0.000 1.258 415 C CA -0.709 58.332 59.018 0.039 0.000 1.676 415 C CB 0.636 28.483 27.740 0.177 0.000 2.314 415 C HN 0.272 nan 8.230 nan 0.000 0.509 416 V N 5.864 125.696 119.914 -0.137 0.000 3.041 416 V HA 0.146 3.754 4.120 -0.853 0.000 0.260 416 V C 1.864 177.997 176.094 0.064 0.000 1.105 416 V CA 2.353 64.481 62.300 -0.287 0.000 1.125 416 V CB -0.164 31.532 31.823 -0.212 0.000 0.730 416 V HN 1.075 nan 8.190 nan 0.000 0.479 417 G N -0.807 108.068 108.800 0.125 0.000 3.314 417 G HA2 0.033 3.481 3.960 -0.853 0.000 0.238 417 G HA3 0.033 3.481 3.960 -0.853 0.000 0.238 417 G C 1.253 176.230 174.900 0.129 0.000 1.184 417 G CA -0.332 44.864 45.100 0.159 0.000 0.806 417 G HN 0.440 nan 8.290 nan 0.000 0.536 418 R N -0.185 120.328 120.500 0.022 0.000 2.339 418 R HA 0.171 3.999 4.340 -0.853 0.000 0.199 418 R C 2.006 177.816 176.300 -0.818 0.000 1.018 418 R CA -0.003 55.832 56.100 -0.442 0.000 1.036 418 R CB -0.139 29.990 30.300 -0.285 0.000 0.899 418 R HN 0.455 nan 8.270 nan 0.000 0.473 419 I N 0.948 121.171 120.570 -0.579 0.000 2.567 419 I HA -0.263 3.396 4.170 -0.853 0.000 0.257 419 I C 1.272 177.188 176.117 -0.337 0.000 1.184 419 I CA 1.355 62.380 61.300 -0.459 0.000 1.451 419 I CB 0.185 38.147 38.000 -0.064 0.000 1.089 419 I HN 0.182 nan 8.210 nan 0.000 0.441 420 Q N 0.587 120.157 119.800 -0.384 0.000 2.403 420 Q HA -0.094 3.734 4.340 -0.853 0.000 0.203 420 Q C 1.577 177.079 176.000 -0.830 0.000 0.932 420 Q CA 0.417 55.998 55.803 -0.372 0.000 0.945 420 Q CB -0.189 28.536 28.738 -0.022 0.000 1.045 420 Q HN 0.802 nan 8.270 nan 0.000 0.511 421 W N 0.905 121.498 121.300 -1.177 0.000 2.342 421 W HA -0.167 3.980 4.660 -0.854 0.000 0.297 421 W C 1.350 177.528 176.519 -0.569 0.000 1.213 421 W CA 1.417 57.901 57.345 -1.435 0.000 1.251 421 W CB -1.181 27.572 29.460 -1.179 0.000 1.136 421 W HN 0.148 nan 8.180 nan 0.000 0.526 422 S N 0.981 115.686 115.700 -1.657 0.000 2.481 422 S HA -0.064 3.895 4.470 -0.853 0.000 0.231 422 S C 1.428 175.724 174.600 -0.507 0.000 0.996 422 S CA 0.881 58.305 58.200 -1.293 0.000 0.942 422 S CB -0.496 61.825 63.200 -1.464 0.000 0.768 422 S HN 0.355 nan 8.310 nan 0.000 0.520 423 K N 0.670 120.868 120.400 -0.338 0.000 2.417 423 K HA 0.311 4.119 4.320 -0.853 0.000 0.196 423 K C -0.101 176.526 176.600 0.045 0.000 1.023 423 K CA -0.367 55.856 56.287 -0.106 0.000 1.122 423 K CB -0.094 32.377 32.500 -0.049 0.000 0.850 423 K HN 0.288 nan 8.250 nan 0.000 0.521 424 L N 2.060 123.356 121.223 0.121 0.000 2.499 424 L HA -0.040 3.788 4.340 -0.853 0.000 0.273 424 L C -0.049 176.818 176.870 -0.006 0.000 1.195 424 L CA 0.425 55.370 54.840 0.175 0.000 0.882 424 L CB 0.445 42.688 42.059 0.306 0.000 1.133 424 L HN 0.026 nan 8.230 nan 0.000 0.483 425 Q N 3.750 123.495 119.800 -0.092 0.000 2.322 425 Q HA 0.420 4.248 4.340 -0.853 0.000 0.256 425 Q C -1.407 174.242 176.000 -0.584 0.000 0.960 425 Q CA -0.225 55.359 55.803 -0.364 0.000 0.934 425 Q CB 1.055 29.528 28.738 -0.442 0.000 1.200 425 Q HN 0.523 nan 8.270 nan 0.000 0.435 426 V N 5.974 125.571 119.914 -0.529 0.000 2.370 426 V HA 0.420 4.028 4.120 -0.853 0.000 0.279 426 V C -0.665 175.086 176.094 -0.573 0.000 1.029 426 V CA -0.516 61.527 62.300 -0.428 0.000 0.870 426 V CB 0.485 32.173 31.823 -0.225 0.000 0.984 426 V HN 0.634 nan 8.190 nan 0.000 0.451 427 F N 2.749 122.578 119.950 -0.202 0.000 2.385 427 F HA 0.378 4.398 4.527 -0.845 0.000 0.360 427 F C 0.413 176.061 175.800 -0.253 0.000 1.122 427 F CA -1.064 56.817 58.000 -0.199 0.000 1.090 427 F CB 1.095 39.991 39.000 -0.173 0.000 1.150 427 F HN 0.433 nan 8.300 nan 0.000 0.472 428 D N 3.127 123.497 120.400 -0.050 0.000 2.339 428 D HA 0.384 4.512 4.640 -0.853 0.000 0.241 428 D C 0.112 176.247 176.300 -0.275 0.000 1.183 428 D CA 0.032 53.928 54.000 -0.173 0.000 0.859 428 D CB 1.256 41.990 40.800 -0.109 0.000 1.067 428 D HN 0.609 nan 8.370 nan 0.000 0.484 429 A N 4.610 127.086 122.820 -0.573 0.000 2.630 429 A HA 0.168 3.976 4.320 -0.853 0.000 0.290 429 A C 1.588 178.862 177.584 -0.517 0.000 1.267 429 A CA -0.394 51.042 52.037 -1.002 0.000 0.950 429 A CB -0.009 17.881 19.000 -1.852 0.000 1.144 429 A HN 0.568 nan 8.150 nan 0.000 0.527 430 R N 0.565 120.896 120.500 -0.282 0.000 2.285 430 R HA -0.086 3.743 4.340 -0.853 0.000 0.213 430 R C 0.662 176.911 176.300 -0.084 0.000 1.068 430 R CA 1.215 57.221 56.100 -0.157 0.000 1.004 430 R CB 0.024 30.279 30.300 -0.074 0.000 0.873 430 R HN 0.663 nan 8.270 nan 0.000 0.467 431 D N -0.736 119.647 120.400 -0.029 0.000 2.340 431 D HA -0.061 4.068 4.640 -0.853 0.000 0.220 431 D C 0.286 176.667 176.300 0.135 0.000 1.039 431 D CA -0.215 53.823 54.000 0.064 0.000 0.866 431 D CB -0.515 40.347 40.800 0.103 0.000 0.913 431 D HN -0.005 nan 8.370 nan 0.000 0.523 432 C N 1.437 120.811 119.300 0.123 0.000 2.637 432 C HA 0.419 4.368 4.460 -0.853 0.000 0.418 432 C C 1.857 177.036 174.990 0.315 0.000 1.319 432 C CA 0.739 59.925 59.018 0.280 0.000 1.949 432 C CB -0.108 27.843 27.740 0.351 0.000 2.639 432 C HN 0.564 nan 8.230 nan 0.000 0.594 433 T N 0.547 115.313 114.554 0.353 0.000 2.986 433 T HA 0.267 4.105 4.350 -0.853 0.000 0.264 433 T C 0.350 175.222 174.700 0.287 0.000 0.964 433 T CA 0.603 62.922 62.100 0.365 0.000 0.895 433 T CB -0.090 68.918 68.868 0.234 0.000 1.163 433 T HN 0.876 nan 8.240 nan 0.000 0.517 434 T N -1.980 112.731 114.554 0.261 0.000 2.865 434 T HA 0.812 4.650 4.350 -0.853 0.000 0.294 434 T C 1.320 176.116 174.700 0.161 0.000 1.119 434 T CA -0.235 61.969 62.100 0.174 0.000 1.007 434 T CB 1.406 70.387 68.868 0.187 0.000 1.225 434 T HN 0.055 nan 8.240 nan 0.000 0.515 435 A N -0.176 122.726 122.820 0.136 0.000 1.929 435 A HA 0.044 3.852 4.320 -0.853 0.000 0.216 435 A C 1.977 179.525 177.584 -0.061 0.000 1.176 435 A CA 1.529 53.617 52.037 0.085 0.000 0.628 435 A CB -1.433 17.699 19.000 0.220 0.000 0.816 435 A HN 1.000 nan 8.150 nan 0.000 0.444 436 H N -0.464 118.669 119.070 0.104 0.000 2.352 436 H HA -0.065 5.393 4.556 1.503 0.000 0.299 436 H C 2.370 177.696 175.328 -0.005 0.000 1.097 436 H CA 1.795 57.846 56.048 0.005 0.000 1.311 436 H CB -0.286 29.588 29.762 0.186 0.000 1.377 436 H HN 0.483 nan 8.280 nan 0.000 0.504 437 G N 0.022 108.942 108.800 0.201 0.000 2.446 437 G HA2 -0.289 3.159 3.960 -0.853 0.000 0.217 437 G HA3 -0.289 3.159 3.960 -0.853 0.000 0.217 437 G C 1.649 176.710 174.900 0.269 0.000 1.168 437 G CA 1.097 46.325 45.100 0.213 0.000 0.771 437 G HN 0.292 nan 8.290 nan 0.000 0.551 438 M N -0.525 119.183 119.600 0.180 0.000 2.080 438 M HA -0.010 3.958 4.480 -0.853 0.000 0.260 438 M C 2.327 178.670 176.300 0.073 0.000 1.068 438 M CA 1.471 56.819 55.300 0.080 0.000 1.109 438 M CB -0.458 31.983 32.600 -0.265 0.000 1.342 438 M HN 0.321 nan 8.290 nan 0.000 0.405 439 F N 1.224 120.960 119.950 -0.357 0.000 2.095 439 F HA -0.328 3.748 4.527 -0.751 0.000 0.298 439 F C 2.165 177.858 175.800 -0.178 0.000 1.104 439 F CA 1.982 59.707 58.000 -0.458 0.000 1.232 439 F CB -0.261 38.078 39.000 -1.101 0.000 0.987 439 F HN 0.183 nan 8.300 nan 0.000 0.475 440 N N -0.273 118.247 118.700 -0.300 0.000 2.069 440 N HA -0.280 3.948 4.740 -0.853 0.000 0.191 440 N C 1.766 177.127 175.510 -0.249 0.000 1.031 440 N CA 2.166 55.013 53.050 -0.337 0.000 0.852 440 N CB -0.803 37.553 38.487 -0.219 0.000 1.018 440 N HN 0.492 nan 8.380 nan 0.000 0.423 441 Y N 0.161 120.427 120.300 -0.056 0.000 2.207 441 Y HA -0.071 3.963 4.550 -0.860 0.000 0.287 441 Y C 2.137 178.010 175.900 -0.046 0.000 1.156 441 Y CA 1.052 59.139 58.100 -0.023 0.000 1.182 441 Y CB -0.060 38.487 38.460 0.144 0.000 0.979 441 Y HN 0.135 nan 8.280 nan 0.000 0.521 442 I N -1.658 118.996 120.570 0.139 0.000 2.233 442 I HA -0.315 3.344 4.170 -0.853 0.000 0.243 442 I C 2.261 178.335 176.117 -0.071 0.000 1.093 442 I CA 0.770 62.099 61.300 0.049 0.000 1.380 442 I CB -0.476 37.560 38.000 0.059 0.000 1.067 442 I HN 0.265 nan 8.210 nan 0.000 0.413 443 C N 0.808 119.961 119.300 -0.246 0.000 2.413 443 C HA -0.148 3.800 4.460 -0.853 0.000 0.276 443 C C 2.623 177.527 174.990 -0.143 0.000 1.248 443 C CA 0.855 59.722 59.018 -0.251 0.000 1.742 443 C CB -1.469 26.000 27.740 -0.452 0.000 2.017 443 C HN 0.545 nan 8.230 nan 0.000 0.481 444 N N -0.019 118.576 118.700 -0.175 0.000 2.120 444 N HA -0.147 4.081 4.740 -0.853 0.000 0.188 444 N C 1.452 176.870 175.510 -0.154 0.000 1.024 444 N CA 1.581 54.517 53.050 -0.190 0.000 0.852 444 N CB -0.827 37.480 38.487 -0.300 0.000 1.003 444 N HN 0.772 nan 8.380 nan 0.000 0.424 445 H N 0.229 119.156 119.070 -0.239 0.000 2.293 445 H HA -0.020 4.024 4.556 -0.852 0.000 0.300 445 H C 1.855 177.220 175.328 0.061 0.000 1.082 445 H CA 1.656 57.641 56.048 -0.105 0.000 1.308 445 H CB 0.025 29.783 29.762 -0.007 0.000 1.375 445 H HN -0.091 nan 8.280 nan 0.000 0.495 446 V N 1.043 121.115 119.914 0.264 0.000 2.324 446 V HA -0.294 3.315 4.120 -0.853 0.000 0.250 446 V C 2.494 178.672 176.094 0.141 0.000 1.060 446 V CA 2.350 64.756 62.300 0.177 0.000 1.042 446 V CB -0.560 31.291 31.823 0.046 0.000 0.650 446 V HN 0.446 nan 8.190 nan 0.000 0.450 447 K N -1.012 119.442 120.400 0.089 0.000 2.062 447 K HA -0.209 3.600 4.320 -0.853 0.000 0.205 447 K C 2.270 178.924 176.600 0.090 0.000 1.051 447 K CA 1.643 57.967 56.287 0.062 0.000 0.941 447 K CB -0.320 32.192 32.500 0.021 0.000 0.719 447 K HN 0.525 nan 8.250 nan 0.000 0.440 448 Y N 0.742 121.056 120.300 0.022 0.000 2.163 448 Y HA -0.153 3.884 4.550 -0.855 0.000 0.288 448 Y C 1.981 177.943 175.900 0.105 0.000 1.136 448 Y CA 1.741 59.880 58.100 0.065 0.000 1.147 448 Y CB -0.399 38.120 38.460 0.099 0.000 0.987 448 Y HN 0.146 nan 8.280 nan 0.000 0.509 449 A N -0.592 122.373 122.820 0.242 0.000 1.902 449 A HA -0.152 3.656 4.320 -0.853 0.000 0.217 449 A C 2.196 179.828 177.584 0.080 0.000 1.181 449 A CA 2.218 54.359 52.037 0.173 0.000 0.623 449 A CB -1.303 17.879 19.000 0.303 0.000 0.818 449 A HN 0.523 nan 8.150 nan 0.000 0.443 450 T N -0.424 114.181 114.554 0.084 0.000 2.668 450 T HA -0.102 3.736 4.350 -0.853 0.000 0.262 450 T C 1.093 175.796 174.700 0.005 0.000 1.045 450 T CA 1.459 63.598 62.100 0.065 0.000 1.152 450 T CB -0.378 68.530 68.868 0.066 0.000 0.864 450 T HN 0.662 nan 8.240 nan 0.000 0.419 451 N N 1.012 119.690 118.700 -0.036 0.000 2.740 451 N HA -0.213 4.015 4.740 -0.853 0.000 0.248 451 N C -0.510 174.972 175.510 -0.047 0.000 1.062 451 N CA 0.775 53.779 53.050 -0.077 0.000 0.704 451 N CB -1.712 36.688 38.487 -0.145 0.000 0.968 451 N HN 0.618 nan 8.380 nan 0.000 0.547 452 K N -2.342 118.043 120.400 -0.025 0.000 3.035 452 K HA -0.210 3.598 4.320 -0.853 0.000 0.262 452 K C 1.045 177.628 176.600 -0.028 0.000 1.024 452 K CA 1.022 57.296 56.287 -0.022 0.000 0.748 452 K CB -1.861 30.624 32.500 -0.026 0.000 1.247 452 K HN 1.018 nan 8.250 nan 0.000 0.482 453 G N 0.474 109.264 108.800 -0.017 0.000 2.232 453 G HA2 -0.329 3.119 3.960 -0.853 0.000 0.226 453 G HA3 -0.329 3.119 3.960 -0.853 0.000 0.226 453 G C -0.147 174.738 174.900 -0.023 0.000 0.996 453 G CA 0.128 45.217 45.100 -0.018 0.000 0.626 453 G HN 0.515 nan 8.290 nan 0.000 0.509 454 N N 1.229 119.903 118.700 -0.043 0.000 2.918 454 N HA 0.475 4.704 4.740 -0.853 0.000 0.247 454 N C 0.536 176.009 175.510 -0.060 0.000 1.117 454 N CA -0.495 52.511 53.050 -0.074 0.000 1.005 454 N CB -0.082 38.357 38.487 -0.080 0.000 1.297 454 N HN 0.345 nan 8.380 nan 0.000 0.513 455 L N 2.308 123.517 121.223 -0.023 0.000 2.426 455 L HA 0.296 4.124 4.340 -0.853 0.000 0.271 455 L C 0.569 177.548 176.870 0.182 0.000 1.169 455 L CA -0.064 54.843 54.840 0.113 0.000 0.836 455 L CB 0.551 42.779 42.059 0.283 0.000 1.112 455 L HN 0.337 nan 8.230 nan 0.000 0.465 456 R N 1.355 121.967 120.500 0.185 0.000 2.621 456 R HA 0.384 4.212 4.340 -0.853 0.000 0.292 456 R C -0.764 175.701 176.300 0.274 0.000 0.969 456 R CA -0.715 55.520 56.100 0.225 0.000 0.887 456 R CB 2.059 32.352 30.300 -0.012 0.000 1.180 456 R HN 0.553 nan 8.270 nan 0.000 0.450 457 S N 1.280 117.147 115.700 0.277 0.000 2.560 457 S HA 0.432 4.390 4.470 -0.853 0.000 0.284 457 S C -0.285 174.371 174.600 0.093 0.000 1.327 457 S CA -0.070 58.190 58.200 0.099 0.000 1.055 457 S CB 1.044 64.287 63.200 0.072 0.000 0.868 457 S HN 0.685 nan 8.310 nan 0.000 0.506 458 A N 2.623 125.448 122.820 0.008 0.000 2.612 458 A HA 0.818 4.626 4.320 -0.853 0.000 0.293 458 A C -1.268 176.315 177.584 -0.002 0.000 1.075 458 A CA -0.656 51.325 52.037 -0.093 0.000 0.680 458 A CB 1.139 20.014 19.000 -0.207 0.000 1.279 458 A HN 0.789 nan 8.150 nan 0.000 0.411 459 I N 0.148 120.711 120.570 -0.012 0.000 2.769 459 I HA 0.713 4.371 4.170 -0.853 0.000 0.298 459 I C -1.153 175.060 176.117 0.159 0.000 1.128 459 I CA -0.197 61.224 61.300 0.202 0.000 1.031 459 I CB 2.491 40.575 38.000 0.140 0.000 1.235 459 I HN 0.615 nan 8.210 nan 0.000 0.423 460 T N 7.425 122.111 114.554 0.220 0.000 2.812 460 T HA 0.577 4.415 4.350 -0.853 0.000 0.282 460 T C -0.520 174.000 174.700 -0.299 0.000 0.990 460 T CA -0.256 61.834 62.100 -0.016 0.000 0.960 460 T CB 1.143 70.029 68.868 0.030 0.000 0.948 460 T HN 0.305 nan 8.240 nan 0.000 0.438 461 I N 4.013 124.303 120.570 -0.468 0.000 2.390 461 I HA 0.404 4.062 4.170 -0.853 0.000 0.283 461 I C -0.496 175.285 176.117 -0.559 0.000 1.016 461 I CA -0.674 60.371 61.300 -0.425 0.000 1.151 461 I CB 0.656 38.380 38.000 -0.460 0.000 1.293 461 I HN 0.467 nan 8.210 nan 0.000 0.458 462 F N 6.606 126.478 119.950 -0.130 0.000 2.368 462 F HA 0.421 4.442 4.527 -0.844 0.000 0.308 462 F C -1.834 173.826 175.800 -0.234 0.000 1.198 462 F CA -2.170 55.669 58.000 -0.269 0.000 1.130 462 F CB -0.275 38.592 39.000 -0.223 0.000 1.300 462 F HN 0.210 nan 8.300 nan 0.000 0.537 463 P HA 0.017 nan 4.420 nan 0.000 0.268 463 P C -1.070 176.173 177.300 -0.095 0.000 1.208 463 P CA -0.263 62.669 63.100 -0.281 0.000 0.777 463 P CB 0.283 31.649 31.700 -0.557 0.000 0.875 464 Q N 2.390 122.100 119.800 -0.150 0.000 2.368 464 Q HA 0.226 4.054 4.340 -0.853 0.000 0.237 464 Q C 0.096 175.978 176.000 -0.196 0.000 0.987 464 Q CA -0.759 54.776 55.803 -0.447 0.000 0.896 464 Q CB 0.807 28.998 28.738 -0.912 0.000 1.241 464 Q HN 0.292 nan 8.270 nan 0.000 0.485 465 R N 0.487 120.872 120.500 -0.191 0.000 2.638 465 R HA -0.034 3.794 4.340 -0.853 0.000 0.268 465 R C 0.206 176.458 176.300 -0.079 0.000 1.006 465 R CA 1.255 57.316 56.100 -0.065 0.000 1.088 465 R CB 0.475 30.730 30.300 -0.075 0.000 0.950 465 R HN 0.981 nan 8.270 nan 0.000 0.419 466 T N -0.707 113.835 114.554 -0.021 0.000 3.479 466 T HA 0.000 3.839 4.350 -0.853 0.000 0.197 466 T C 0.975 175.653 174.700 -0.037 0.000 0.912 466 T CA 0.234 62.305 62.100 -0.048 0.000 1.281 466 T CB -0.314 68.510 68.868 -0.073 0.000 1.588 466 T HN 0.718 nan 8.240 nan 0.000 0.389 467 D N 1.133 121.516 120.400 -0.029 0.000 2.339 467 D HA 0.249 4.377 4.640 -0.853 0.000 0.217 467 D C 1.688 178.014 176.300 0.044 0.000 1.050 467 D CA 0.786 54.789 54.000 0.004 0.000 0.856 467 D CB -0.547 40.255 40.800 0.004 0.000 0.922 467 D HN 0.943 nan 8.370 nan 0.000 0.518 468 G N 0.854 109.690 108.800 0.059 0.000 2.184 468 G HA2 -0.366 3.082 3.960 -0.853 0.000 0.264 468 G HA3 -0.366 3.082 3.960 -0.853 0.000 0.264 468 G C 0.911 175.862 174.900 0.084 0.000 0.975 468 G CA 0.521 45.656 45.100 0.059 0.000 0.642 468 G HN 0.476 nan 8.290 nan 0.000 0.536 469 K N -0.485 120.007 120.400 0.154 0.000 2.414 469 K HA 0.311 4.119 4.320 -0.853 0.000 0.204 469 K C 0.416 177.075 176.600 0.098 0.000 1.026 469 K CA -0.029 56.337 56.287 0.132 0.000 1.108 469 K CB 0.394 32.959 32.500 0.109 0.000 0.855 469 K HN 0.467 nan 8.250 nan 0.000 0.517 470 H N -0.081 119.000 119.070 0.019 0.000 2.651 470 H HA 0.194 4.239 4.556 -0.852 0.000 0.241 470 H C -1.124 174.217 175.328 0.021 0.000 1.225 470 H CA -0.885 55.167 56.048 0.007 0.000 0.942 470 H CB 0.155 29.939 29.762 0.037 0.000 1.996 470 H HN -0.005 nan 8.280 nan 0.000 0.600 471 D N 0.347 120.810 120.400 0.105 0.000 2.389 471 D HA 0.069 4.197 4.640 -0.853 0.000 0.247 471 D C -0.003 176.341 176.300 0.072 0.000 1.128 471 D CA 0.095 54.177 54.000 0.137 0.000 0.884 471 D CB 0.552 41.409 40.800 0.096 0.000 1.194 471 D HN 0.085 nan 8.370 nan 0.000 0.441 472 F N 2.391 122.376 119.950 0.057 0.000 2.410 472 F HA 0.369 4.381 4.527 -0.859 0.000 0.348 472 F C 1.048 176.875 175.800 0.044 0.000 1.106 472 F CA -0.109 57.908 58.000 0.029 0.000 1.163 472 F CB 0.668 39.689 39.000 0.035 0.000 1.129 472 F HN -0.139 nan 8.300 nan 0.000 0.516 473 R N 1.777 122.379 120.500 0.170 0.000 2.584 473 R HA 0.467 4.295 4.340 -0.853 0.000 0.276 473 R C -1.678 174.751 176.300 0.216 0.000 1.046 473 R CA -0.945 55.265 56.100 0.184 0.000 0.906 473 R CB 1.990 32.397 30.300 0.178 0.000 1.215 473 R HN 0.359 nan 8.270 nan 0.000 0.449 474 V N 3.253 123.270 119.914 0.171 0.000 2.385 474 V HA 0.125 3.733 4.120 -0.853 0.000 0.269 474 V C 0.484 176.751 176.094 0.289 0.000 1.043 474 V CA -0.326 62.083 62.300 0.182 0.000 0.906 474 V CB 1.067 32.936 31.823 0.076 0.000 0.995 474 V HN 0.728 nan 8.190 nan 0.000 0.467 475 W N 2.410 123.758 121.300 0.081 0.000 2.467 475 W HA 0.020 4.183 4.660 -0.828 0.000 0.275 475 W C 1.064 177.613 176.519 0.049 0.000 1.239 475 W CA -0.313 57.167 57.345 0.224 0.000 1.266 475 W CB -0.657 29.084 29.460 0.469 0.000 1.112 475 W HN 0.540 nan 8.180 nan 0.000 0.576 476 N N 0.058 118.748 118.700 -0.017 0.000 2.441 476 N HA -0.009 4.220 4.740 -0.853 0.000 0.251 476 N C 1.337 176.650 175.510 -0.327 0.000 1.242 476 N CA 0.932 53.626 53.050 -0.594 0.000 0.898 476 N CB 0.631 38.897 38.487 -0.368 0.000 1.100 476 N HN -0.076 nan 8.380 nan 0.000 0.443 477 S N 0.818 116.301 115.700 -0.361 0.000 2.425 477 S HA -0.016 3.943 4.470 -0.853 0.000 0.225 477 S C 0.278 174.768 174.600 -0.183 0.000 1.024 477 S CA 0.545 58.632 58.200 -0.188 0.000 0.951 477 S CB 0.049 63.187 63.200 -0.104 0.000 0.796 477 S HN 0.662 nan 8.310 nan 0.000 0.498 478 Q N -0.611 119.062 119.800 -0.212 0.000 2.456 478 Q HA 0.522 4.350 4.340 -0.853 0.000 0.283 478 Q C 0.248 176.102 176.000 -0.243 0.000 1.084 478 Q CA -0.600 55.077 55.803 -0.210 0.000 0.801 478 Q CB 1.950 30.604 28.738 -0.140 0.000 1.434 478 Q HN 0.087 nan 8.270 nan 0.000 0.419 479 L N 0.414 121.492 121.223 -0.241 0.000 2.093 479 L HA 0.027 3.855 4.340 -0.853 0.000 0.208 479 L C 0.496 177.209 176.870 -0.262 0.000 1.085 479 L CA 1.285 55.998 54.840 -0.213 0.000 0.755 479 L CB -0.001 41.932 42.059 -0.209 0.000 0.904 479 L HN 0.507 nan 8.230 nan 0.000 0.435 480 I N -0.340 119.992 120.570 -0.398 0.000 2.389 480 I HA 0.382 4.040 4.170 -0.853 0.000 0.288 480 I C -0.149 175.346 176.117 -1.038 0.000 0.999 480 I CA -0.259 60.635 61.300 -0.676 0.000 1.129 480 I CB 1.710 39.260 38.000 -0.750 0.000 1.288 480 I HN 0.047 nan 8.210 nan 0.000 0.444 481 R N 4.188 124.193 120.500 -0.825 0.000 2.690 481 R HA 0.443 4.271 4.340 -0.853 0.000 0.269 481 R C -1.825 174.226 176.300 -0.415 0.000 1.037 481 R CA -0.905 54.828 56.100 -0.612 0.000 0.877 481 R CB 2.175 32.335 30.300 -0.234 0.000 1.255 481 R HN 0.421 nan 8.270 nan 0.000 0.467 482 Y N 0.702 121.018 120.300 0.026 0.000 2.310 482 Y HA 0.478 4.516 4.550 -0.852 0.000 0.326 482 Y C 0.881 176.839 175.900 0.096 0.000 1.151 482 Y CA -0.668 57.505 58.100 0.120 0.000 1.195 482 Y CB 1.609 40.224 38.460 0.259 0.000 1.210 482 Y HN 0.633 nan 8.280 nan 0.000 0.483 483 A N 1.895 124.866 122.820 0.251 0.000 2.448 483 A HA 0.510 4.318 4.320 -0.853 0.000 0.239 483 A C 0.505 177.991 177.584 -0.164 0.000 1.080 483 A CA 0.384 52.412 52.037 -0.016 0.000 0.779 483 A CB -0.261 18.735 19.000 -0.007 0.000 1.026 483 A HN 0.904 nan 8.150 nan 0.000 0.499 484 G N -0.208 108.369 108.800 -0.372 0.000 2.643 484 G HA2 0.589 4.038 3.960 -0.853 0.000 0.305 484 G HA3 0.589 4.038 3.960 -0.853 0.000 0.305 484 G C -1.368 173.277 174.900 -0.425 0.000 1.387 484 G CA -0.314 44.607 45.100 -0.298 0.000 0.982 484 G HN 0.551 nan 8.290 nan 0.000 0.501 485 Y N 0.745 121.062 120.300 0.029 0.000 2.391 485 Y HA 0.464 4.501 4.550 -0.855 0.000 0.341 485 Y C 0.448 176.346 175.900 -0.003 0.000 0.965 485 Y CA -1.089 57.023 58.100 0.020 0.000 1.067 485 Y CB 2.347 40.819 38.460 0.020 0.000 1.199 485 Y HN 0.265 nan 8.280 nan 0.000 0.450 486 K N 3.482 123.965 120.400 0.138 0.000 2.258 486 K HA 0.310 4.118 4.320 -0.853 0.000 0.284 486 K C -0.716 175.923 176.600 0.065 0.000 1.051 486 K CA -0.487 55.844 56.287 0.074 0.000 0.923 486 K CB 0.884 33.409 32.500 0.042 0.000 1.046 486 K HN 0.681 nan 8.250 nan 0.000 0.474 487 Q N 2.869 122.693 119.800 0.040 0.000 2.235 487 Q HA 0.172 4.000 4.340 -0.853 0.000 0.256 487 Q C -1.732 174.272 176.000 0.006 0.000 0.951 487 Q CA -2.170 53.643 55.803 0.017 0.000 0.890 487 Q CB 1.107 29.849 28.738 0.006 0.000 1.279 487 Q HN 0.279 nan 8.270 nan 0.000 0.444 488 P HA -0.290 nan 4.420 nan 0.000 0.220 488 P C 0.627 177.924 177.300 -0.005 0.000 1.155 488 P CA 1.695 64.791 63.100 -0.006 0.000 0.880 488 P CB 0.200 31.892 31.700 -0.013 0.000 0.790 489 D N -1.727 118.670 120.400 -0.006 0.000 2.220 489 D HA -0.172 3.957 4.640 -0.853 0.000 0.198 489 D C 1.595 177.894 176.300 -0.001 0.000 1.001 489 D CA 2.348 56.346 54.000 -0.005 0.000 0.875 489 D CB -0.671 40.125 40.800 -0.006 0.000 0.921 489 D HN 0.267 nan 8.370 nan 0.000 0.454 490 G N -1.382 107.419 108.800 0.002 0.000 2.259 490 G HA2 -0.272 3.176 3.960 -0.853 0.000 0.217 490 G HA3 -0.272 3.176 3.960 -0.853 0.000 0.217 490 G C 0.543 175.447 174.900 0.006 0.000 1.001 490 G CA 0.613 45.716 45.100 0.004 0.000 0.627 490 G HN 0.751 nan 8.290 nan 0.000 0.501 491 S N -0.237 115.466 115.700 0.005 0.000 2.652 491 S HA 0.712 4.670 4.470 -0.853 0.000 0.267 491 S C -0.001 174.603 174.600 0.008 0.000 1.201 491 S CA 0.667 58.869 58.200 0.004 0.000 0.996 491 S CB 1.680 64.881 63.200 0.001 0.000 1.054 491 S HN 0.690 nan 8.310 nan 0.000 0.561 492 T N 1.187 115.741 114.554 0.000 0.000 2.848 492 T HA 0.528 4.367 4.350 -0.853 0.000 0.285 492 T C -1.027 173.671 174.700 -0.003 0.000 0.995 492 T CA -0.481 61.620 62.100 0.002 0.000 0.970 492 T CB 1.134 69.987 68.868 -0.025 0.000 0.976 492 T HN 0.566 nan 8.240 nan 0.000 0.441 493 L N 3.612 124.868 121.223 0.055 0.000 2.295 493 L HA 0.750 4.578 4.340 -0.853 0.000 0.285 493 L C 0.710 177.633 176.870 0.087 0.000 1.035 493 L CA 1.125 56.008 54.840 0.073 0.000 0.806 493 L CB 0.154 42.282 42.059 0.115 0.000 1.214 493 L HN 0.978 nan 8.230 nan 0.000 0.426 494 G N 3.787 112.563 108.800 -0.041 0.000 2.499 494 G HA2 -0.233 3.215 3.960 -0.853 0.000 0.232 494 G HA3 -0.233 3.215 3.960 -0.853 0.000 0.232 494 G C -0.696 173.917 174.900 -0.478 0.000 1.251 494 G CA -0.025 45.017 45.100 -0.096 0.000 0.917 494 G HN 0.785 nan 8.290 nan 0.000 0.580 495 D N 1.836 122.099 120.400 -0.228 0.000 2.365 495 D HA 0.492 4.620 4.640 -0.853 0.000 0.237 495 D C -0.976 175.247 176.300 -0.129 0.000 1.190 495 D CA -1.707 52.142 54.000 -0.250 0.000 0.867 495 D CB 1.312 42.279 40.800 0.278 0.000 1.050 495 D HN -0.005 nan 8.370 nan 0.000 0.491 496 P HA -0.095 nan 4.420 nan 0.000 0.221 496 P C 0.919 178.222 177.300 0.005 0.000 1.145 496 P CA 0.721 63.784 63.100 -0.062 0.000 0.795 496 P CB 0.255 31.920 31.700 -0.057 0.000 0.775 497 A N -0.284 122.565 122.820 0.047 0.000 2.070 497 A HA -0.143 3.666 4.320 -0.853 0.000 0.220 497 A C 1.686 179.324 177.584 0.091 0.000 1.159 497 A CA 1.437 53.527 52.037 0.088 0.000 0.656 497 A CB -0.851 18.231 19.000 0.138 0.000 0.800 497 A HN 0.163 nan 8.150 nan 0.000 0.453 498 N N -0.565 118.180 118.700 0.075 0.000 2.238 498 N HA 0.144 4.373 4.740 -0.853 0.000 0.222 498 N C 1.140 176.670 175.510 0.034 0.000 1.133 498 N CA 0.195 53.297 53.050 0.087 0.000 0.854 498 N CB 0.566 39.115 38.487 0.103 0.000 1.041 498 N HN 0.190 nan 8.380 nan 0.000 0.510 499 V N 1.251 121.165 119.914 -0.000 0.000 2.231 499 V HA -0.307 3.302 4.120 -0.853 0.000 0.248 499 V C 2.622 178.688 176.094 -0.048 0.000 1.054 499 V CA 1.955 64.231 62.300 -0.040 0.000 1.015 499 V CB -0.431 31.380 31.823 -0.019 0.000 0.638 499 V HN 0.359 nan 8.190 nan 0.000 0.444 500 Q N -1.025 118.758 119.800 -0.028 0.000 2.061 500 Q HA -0.273 3.555 4.340 -0.853 0.000 0.204 500 Q C 2.131 177.998 176.000 -0.221 0.000 0.984 500 Q CA 2.496 58.234 55.803 -0.108 0.000 0.846 500 Q CB -0.282 28.411 28.738 -0.075 0.000 0.902 500 Q HN 0.633 nan 8.270 nan 0.000 0.421 501 F N 0.778 120.547 119.950 -0.302 0.000 2.171 501 F HA -0.164 3.846 4.527 -0.861 0.000 0.300 501 F C 2.066 177.728 175.800 -0.229 0.000 1.090 501 F CA 1.901 59.693 58.000 -0.347 0.000 1.293 501 F CB -0.527 38.372 39.000 -0.168 0.000 1.013 501 F HN 0.038 nan 8.300 nan 0.000 0.486 502 T N 0.156 114.594 114.554 -0.192 0.000 2.699 502 T HA -0.248 3.590 4.350 -0.853 0.000 0.268 502 T C 1.707 176.307 174.700 -0.168 0.000 1.036 502 T CA 1.962 63.932 62.100 -0.217 0.000 1.147 502 T CB -0.419 68.335 68.868 -0.191 0.000 0.862 502 T HN 0.442 nan 8.240 nan 0.000 0.446 503 E N 0.444 120.544 120.200 -0.165 0.000 2.106 503 E HA -0.012 3.826 4.350 -0.853 0.000 0.192 503 E C 2.201 178.698 176.600 -0.171 0.000 0.984 503 E CA 0.767 57.096 56.400 -0.118 0.000 0.806 503 E CB -0.262 29.376 29.700 -0.105 0.000 0.750 503 E HN 0.498 nan 8.360 nan 0.000 0.458 504 I N 0.743 121.140 120.570 -0.288 0.000 2.252 504 I HA -0.296 3.362 4.170 -0.853 0.000 0.245 504 I C 2.417 178.365 176.117 -0.282 0.000 1.102 504 I CA 0.574 61.710 61.300 -0.274 0.000 1.385 504 I CB -0.298 37.518 38.000 -0.306 0.000 1.064 504 I HN 0.224 nan 8.210 nan 0.000 0.414 505 C N 0.824 119.867 119.300 -0.428 0.000 2.401 505 C HA -0.177 3.772 4.460 -0.853 0.000 0.276 505 C C 2.728 177.698 174.990 -0.033 0.000 1.233 505 C CA 0.886 59.709 59.018 -0.324 0.000 1.753 505 C CB -0.895 26.553 27.740 -0.486 0.000 2.029 505 C HN 0.439 nan 8.230 nan 0.000 0.478 506 I N -0.268 120.315 120.570 0.021 0.000 2.277 506 I HA -0.201 3.457 4.170 -0.853 0.000 0.243 506 I C 2.690 178.792 176.117 -0.024 0.000 1.094 506 I CA 1.244 62.585 61.300 0.069 0.000 1.393 506 I CB -0.678 37.374 38.000 0.085 0.000 1.078 506 I HN 0.350 nan 8.210 nan 0.000 0.417 507 Q N 0.423 120.178 119.800 -0.075 0.000 2.217 507 Q HA -0.281 3.548 4.340 -0.853 0.000 0.209 507 Q C 2.072 177.988 176.000 -0.140 0.000 0.988 507 Q CA 1.594 57.326 55.803 -0.118 0.000 0.878 507 Q CB 0.114 28.763 28.738 -0.150 0.000 0.909 507 Q HN 0.451 nan 8.270 nan 0.000 0.424 508 Q N -2.326 117.396 119.800 -0.130 0.000 2.398 508 Q HA 0.086 3.914 4.340 -0.853 0.000 0.204 508 Q C 1.055 177.000 176.000 -0.092 0.000 0.932 508 Q CA 1.115 56.838 55.803 -0.134 0.000 0.916 508 Q CB 1.466 30.114 28.738 -0.150 0.000 1.024 508 Q HN 0.538 nan 8.270 nan 0.000 0.504 509 G N -0.464 108.311 108.800 -0.041 0.000 2.370 509 G HA2 -0.170 3.278 3.960 -0.853 0.000 0.174 509 G HA3 -0.170 3.278 3.960 -0.853 0.000 0.174 509 G C -0.644 174.285 174.900 0.048 0.000 1.002 509 G CA -0.443 44.645 45.100 -0.020 0.000 0.730 509 G HN 0.202 nan 8.290 nan 0.000 0.497 510 W N 3.234 124.462 121.300 -0.120 0.000 2.264 510 W HA 0.546 4.689 4.660 -0.861 0.000 0.331 510 W C 0.444 176.930 176.519 -0.055 0.000 1.364 510 W CA -0.203 57.087 57.345 -0.092 0.000 1.253 510 W CB 0.552 29.955 29.460 -0.095 0.000 1.215 510 W HN 0.022 nan 8.180 nan 0.000 0.561 511 K N 6.183 126.337 120.400 -0.411 0.000 2.250 511 K HA 0.407 4.216 4.320 -0.853 0.000 0.285 511 K C 0.128 176.086 176.600 -1.069 0.000 1.097 511 K CA -0.345 55.630 56.287 -0.521 0.000 0.913 511 K CB 0.180 32.485 32.500 -0.325 0.000 1.179 511 K HN 0.486 nan 8.250 nan 0.000 0.462 512 A N 4.461 126.680 122.820 -1.001 0.000 2.450 512 A HA 0.200 4.008 4.320 -0.853 0.000 0.255 512 A C -1.554 175.663 177.584 -0.612 0.000 1.096 512 A CA -1.126 50.214 52.037 -1.162 0.000 0.778 512 A CB 0.100 18.887 19.000 -0.356 0.000 1.031 512 A HN 0.504 nan 8.150 nan 0.000 0.494 513 P HA -0.015 nan 4.420 nan 0.000 0.230 513 P C -0.005 177.143 177.300 -0.253 0.000 1.158 513 P CA 0.080 63.037 63.100 -0.238 0.000 0.769 513 P CB 0.024 31.677 31.700 -0.077 0.000 0.807 514 R N -0.698 119.543 120.500 -0.432 0.000 3.158 514 R HA -0.123 3.705 4.340 -0.853 0.000 0.244 514 R C 0.658 176.724 176.300 -0.390 0.000 0.900 514 R CA 0.347 55.959 56.100 -0.813 0.000 0.618 514 R CB -2.032 27.856 30.300 -0.687 0.000 1.061 514 R HN 0.351 nan 8.270 nan 0.000 0.471 515 G N -0.878 107.854 108.800 -0.113 0.000 3.108 515 G HA2 0.410 3.859 3.960 -0.853 0.000 0.268 515 G HA3 0.410 3.859 3.960 -0.853 0.000 0.268 515 G C 0.102 175.088 174.900 0.143 0.000 1.361 515 G CA -0.608 44.513 45.100 0.035 0.000 1.047 515 G HN 0.233 nan 8.290 nan 0.000 0.540 516 R N -1.624 118.916 120.500 0.066 0.000 2.173 516 R HA 0.221 4.050 4.340 -0.853 0.000 0.208 516 R C -0.090 175.954 176.300 -0.427 0.000 1.035 516 R CA 0.585 56.600 56.100 -0.143 0.000 1.004 516 R CB -0.008 30.162 30.300 -0.218 0.000 0.917 516 R HN 0.350 nan 8.270 nan 0.000 0.462 517 F N 1.160 121.139 119.950 0.048 0.000 2.566 517 F HA 0.271 4.285 4.527 -0.855 0.000 0.347 517 F C -1.157 174.687 175.800 0.074 0.000 1.515 517 F CA -1.106 56.712 58.000 -0.304 0.000 1.103 517 F CB 0.964 39.584 39.000 -0.634 0.000 1.385 517 F HN -0.233 nan 8.300 nan 0.000 0.560 518 D N 1.668 122.333 120.400 0.441 0.000 2.316 518 D HA 0.182 4.310 4.640 -0.853 0.000 0.245 518 D C 0.217 176.857 176.300 0.565 0.000 1.171 518 D CA 0.014 54.322 54.000 0.514 0.000 0.856 518 D CB 2.081 43.236 40.800 0.591 0.000 1.090 518 D HN -0.036 nan 8.370 nan 0.000 0.476 519 V N 3.815 124.009 119.914 0.467 0.000 2.493 519 V HA -0.063 3.546 4.120 -0.853 0.000 0.292 519 V C 1.059 177.236 176.094 0.138 0.000 1.016 519 V CA -0.114 62.321 62.300 0.224 0.000 1.097 519 V CB -0.054 31.847 31.823 0.130 0.000 0.947 519 V HN 0.365 nan 8.190 nan 0.000 0.479 520 L N 8.708 129.907 121.223 -0.040 0.000 2.483 520 L HA 0.242 4.070 4.340 -0.853 0.000 0.275 520 L C -1.624 175.076 176.870 -0.284 0.000 1.220 520 L CA -1.183 53.486 54.840 -0.285 0.000 0.833 520 L CB 0.381 42.355 42.059 -0.142 0.000 1.102 520 L HN 0.485 nan 8.230 nan 0.000 0.490 521 P HA 0.205 nan 4.420 nan 0.000 0.276 521 P C -0.987 176.239 177.300 -0.124 0.000 1.261 521 P CA -0.479 62.426 63.100 -0.325 0.000 0.800 521 P CB 0.812 32.168 31.700 -0.572 0.000 1.066 522 L N 0.746 121.965 121.223 -0.006 0.000 2.334 522 L HA 0.418 4.246 4.340 -0.853 0.000 0.277 522 L C 0.524 177.457 176.870 0.105 0.000 1.075 522 L CA -0.600 54.301 54.840 0.101 0.000 0.804 522 L CB 0.531 42.682 42.059 0.153 0.000 1.174 522 L HN 0.228 nan 8.230 nan 0.000 0.438 523 L N 4.747 126.076 121.223 0.175 0.000 2.345 523 L HA 0.523 4.351 4.340 -0.853 0.000 0.274 523 L C -1.113 175.757 176.870 -0.001 0.000 0.999 523 L CA -0.352 54.510 54.840 0.036 0.000 0.849 523 L CB 1.189 43.312 42.059 0.107 0.000 1.220 523 L HN 0.518 nan 8.230 nan 0.000 0.422 524 L N 4.301 125.491 121.223 -0.055 0.000 2.341 524 L HA 0.514 4.342 4.340 -0.853 0.000 0.278 524 L C -0.473 176.293 176.870 -0.173 0.000 1.005 524 L CA -0.475 54.342 54.840 -0.039 0.000 0.818 524 L CB 2.151 44.240 42.059 0.049 0.000 1.259 524 L HN 0.553 nan 8.230 nan 0.000 0.418 525 Q N 2.699 122.407 119.800 -0.153 0.000 2.341 525 Q HA 0.686 4.514 4.340 -0.853 0.000 0.268 525 Q C -1.325 174.510 176.000 -0.275 0.000 1.013 525 Q CA -0.564 55.108 55.803 -0.219 0.000 0.798 525 Q CB 2.107 30.791 28.738 -0.089 0.000 1.253 525 Q HN 0.781 nan 8.270 nan 0.000 0.457 526 A N 4.087 126.670 122.820 -0.396 0.000 2.317 526 A HA 0.357 4.166 4.320 -0.853 0.000 0.327 526 A C 0.290 177.344 177.584 -0.883 0.000 1.178 526 A CA -0.320 51.219 52.037 -0.830 0.000 0.817 526 A CB 0.636 19.405 19.000 -0.385 0.000 1.189 526 A HN 1.118 nan 8.150 nan 0.000 0.489 527 N N 0.797 118.581 118.700 -1.526 0.000 2.708 527 N HA -0.264 3.964 4.740 -0.853 0.000 0.249 527 N C 1.010 176.330 175.510 -0.317 0.000 1.097 527 N CA 1.382 54.062 53.050 -0.617 0.000 0.710 527 N CB -0.667 37.665 38.487 -0.258 0.000 1.032 527 N HN 2.173 nan 8.380 nan 0.000 0.551 528 G N -1.354 107.271 108.800 -0.292 0.000 2.184 528 G HA2 -0.322 3.127 3.960 -0.853 0.000 0.264 528 G HA3 -0.322 3.127 3.960 -0.853 0.000 0.264 528 G C 0.200 175.038 174.900 -0.104 0.000 0.975 528 G CA 0.508 45.514 45.100 -0.155 0.000 0.642 528 G HN 0.569 nan 8.290 nan 0.000 0.536 529 N N 1.355 119.945 118.700 -0.183 0.000 2.354 529 N HA 0.288 4.516 4.740 -0.853 0.000 0.246 529 N C -0.006 175.397 175.510 -0.178 0.000 1.285 529 N CA -0.170 52.806 53.050 -0.124 0.000 0.925 529 N CB 0.281 38.691 38.487 -0.129 0.000 1.174 529 N HN 0.205 nan 8.380 nan 0.000 0.478 530 D N 1.268 121.602 120.400 -0.111 0.000 2.443 530 D HA 0.107 4.235 4.640 -0.853 0.000 0.239 530 D C -1.813 174.267 176.300 -0.367 0.000 1.136 530 D CA -0.442 53.407 54.000 -0.251 0.000 0.879 530 D CB 0.102 40.938 40.800 0.061 0.000 1.195 530 D HN 0.287 nan 8.370 nan 0.000 0.443 531 P HA 0.172 nan 4.420 nan 0.000 0.274 531 P C -0.585 176.482 177.300 -0.389 0.000 1.237 531 P CA -0.253 62.458 63.100 -0.649 0.000 0.793 531 P CB 1.247 32.116 31.700 -1.384 0.000 0.977 532 E N 0.258 120.279 120.200 -0.298 0.000 2.288 532 E HA 0.457 4.296 4.350 -0.853 0.000 0.268 532 E C -0.605 175.713 176.600 -0.471 0.000 0.885 532 E CA -0.975 55.215 56.400 -0.351 0.000 0.767 532 E CB 1.732 31.215 29.700 -0.362 0.000 1.220 532 E HN 0.343 nan 8.360 nan 0.000 0.427 533 L N 2.517 123.379 121.223 -0.601 0.000 2.350 533 L HA 0.468 4.297 4.340 -0.853 0.000 0.275 533 L C -0.933 175.354 176.870 -0.972 0.000 1.099 533 L CA -0.121 54.394 54.840 -0.541 0.000 0.808 533 L CB 0.303 42.158 42.059 -0.340 0.000 1.149 533 L HN 0.456 nan 8.230 nan 0.000 0.442 534 F N 0.679 120.411 119.950 -0.363 0.000 2.604 534 F HA 0.264 3.315 4.527 -2.461 0.000 0.316 534 F C -0.227 175.339 175.800 -0.391 0.000 1.136 534 F CA -0.822 56.819 58.000 -0.597 0.000 0.989 534 F CB 1.782 40.065 39.000 -1.196 0.000 1.258 534 F HN 0.275 nan 8.300 nan 0.000 0.451 535 Q N 3.388 123.129 119.800 -0.098 0.000 2.294 535 Q HA 0.505 4.333 4.340 -0.853 0.000 0.257 535 Q C -0.618 175.509 176.000 0.211 0.000 0.955 535 Q CA -0.140 55.705 55.803 0.070 0.000 0.936 535 Q CB 0.757 29.576 28.738 0.135 0.000 1.188 535 Q HN 0.581 nan 8.270 nan 0.000 0.420 536 I N 6.885 127.614 120.570 0.265 0.000 2.752 536 I HA 0.049 3.708 4.170 -0.853 0.000 0.289 536 I C -1.776 174.477 176.117 0.226 0.000 1.197 536 I CA -1.606 59.886 61.300 0.319 0.000 1.432 536 I CB 0.277 38.378 38.000 0.168 0.000 1.359 536 I HN 0.552 nan 8.210 nan 0.000 0.571 537 P HA -0.025 nan 4.420 nan 0.000 0.258 537 P C -1.988 175.377 177.300 0.107 0.000 1.172 537 P CA -0.639 62.548 63.100 0.146 0.000 0.762 537 P CB 0.063 31.825 31.700 0.102 0.000 0.764 538 P HA -0.209 nan 4.420 nan 0.000 0.216 538 P C 1.410 178.753 177.300 0.073 0.000 1.150 538 P CA 1.343 64.500 63.100 0.094 0.000 0.837 538 P CB -0.205 31.553 31.700 0.097 0.000 0.786 539 E N 0.105 120.342 120.200 0.063 0.000 2.401 539 E HA -0.143 3.696 4.350 -0.853 0.000 0.199 539 E C 1.522 178.146 176.600 0.039 0.000 1.023 539 E CA 1.029 57.457 56.400 0.046 0.000 0.859 539 E CB -1.038 28.685 29.700 0.039 0.000 0.780 539 E HN 0.330 nan 8.360 nan 0.000 0.523 540 L N 0.866 122.114 121.223 0.042 0.000 2.529 540 L HA 0.136 3.964 4.340 -0.853 0.000 0.223 540 L C 0.527 177.420 176.870 0.038 0.000 1.113 540 L CA -0.099 54.760 54.840 0.032 0.000 0.861 540 L CB 0.679 42.749 42.059 0.019 0.000 1.012 540 L HN -0.121 nan 8.230 nan 0.000 0.461 541 V N 2.313 122.254 119.914 0.045 0.000 2.284 541 V HA 0.128 3.736 4.120 -0.853 0.000 0.260 541 V C 0.072 176.204 176.094 0.063 0.000 1.084 541 V CA -0.545 61.783 62.300 0.046 0.000 0.894 541 V CB 1.017 32.864 31.823 0.039 0.000 1.119 541 V HN 0.078 nan 8.190 nan 0.000 0.484 542 L N 5.393 126.655 121.223 0.064 0.000 2.418 542 L HA 0.389 4.217 4.340 -0.853 0.000 0.274 542 L C 0.155 177.071 176.870 0.075 0.000 1.135 542 L CA 0.890 55.760 54.840 0.050 0.000 0.870 542 L CB 0.185 42.263 42.059 0.032 0.000 1.154 542 L HN 0.638 nan 8.230 nan 0.000 0.462 543 E N 3.385 123.615 120.200 0.050 0.000 2.277 543 E HA 0.612 4.451 4.350 -0.853 0.000 0.266 543 E C -1.424 175.150 176.600 -0.044 0.000 0.901 543 E CA -1.042 55.399 56.400 0.069 0.000 0.782 543 E CB 2.486 32.262 29.700 0.127 0.000 1.228 543 E HN 0.418 nan 8.360 nan 0.000 0.424 544 V N 3.360 123.230 119.914 -0.073 0.000 2.407 544 V HA 0.306 3.914 4.120 -0.853 0.000 0.291 544 V C -2.360 173.727 176.094 -0.011 0.000 1.018 544 V CA -2.003 60.200 62.300 -0.162 0.000 0.842 544 V CB 1.398 32.903 31.823 -0.530 0.000 0.996 544 V HN 0.542 nan 8.190 nan 0.000 0.426 545 P HA 0.268 nan 4.420 nan 0.000 0.271 545 P C -0.799 176.560 177.300 0.097 0.000 1.216 545 P CA -0.172 62.944 63.100 0.028 0.000 0.776 545 P CB 0.707 32.417 31.700 0.017 0.000 0.881 546 I N 4.111 124.782 120.570 0.169 0.000 2.312 546 I HA 0.316 3.975 4.170 -0.853 0.000 0.290 546 I C 1.097 177.414 176.117 0.334 0.000 1.008 546 I CA -0.409 61.059 61.300 0.280 0.000 1.226 546 I CB 0.189 38.445 38.000 0.426 0.000 1.371 546 I HN 0.429 nan 8.210 nan 0.000 0.468 547 R N 5.257 125.897 120.500 0.233 0.000 2.912 547 R HA 0.551 4.379 4.340 -0.853 0.000 0.262 547 R C -1.150 175.145 176.300 -0.008 0.000 1.057 547 R CA -0.667 55.559 56.100 0.210 0.000 0.981 547 R CB 2.087 32.504 30.300 0.194 0.000 1.201 547 R HN 0.555 nan 8.270 nan 0.000 0.484 548 H N 1.298 120.211 119.070 -0.262 0.000 2.495 548 H HA 0.328 4.372 4.556 -0.853 0.000 0.348 548 H C -1.882 173.112 175.328 -0.556 0.000 1.113 548 H CA -2.140 53.588 56.048 -0.533 0.000 1.195 548 H CB 2.536 31.851 29.762 -0.745 0.000 1.521 548 H HN 0.326 nan 8.280 nan 0.000 0.509 549 P HA -0.018 nan 4.420 nan 0.000 0.230 549 P C 0.179 177.202 177.300 -0.461 0.000 1.158 549 P CA 1.022 63.477 63.100 -1.075 0.000 0.769 549 P CB 0.650 31.496 31.700 -1.422 0.000 0.807 550 K N -2.020 118.255 120.400 -0.208 0.000 2.548 550 K HA 0.193 4.001 4.320 -0.853 0.000 0.209 550 K C 0.410 176.861 176.600 -0.247 0.000 1.420 550 K CA -0.046 56.089 56.287 -0.253 0.000 0.985 550 K CB 0.382 32.679 32.500 -0.339 0.000 1.249 550 K HN 0.072 nan 8.250 nan 0.000 0.557 551 F N 2.649 122.411 119.950 -0.314 0.000 2.390 551 F HA 0.084 4.099 4.527 -0.853 0.000 0.361 551 F C 1.231 176.714 175.800 -0.528 0.000 1.124 551 F CA -0.873 56.727 58.000 -0.666 0.000 1.149 551 F CB 1.027 39.197 39.000 -1.383 0.000 1.160 551 F HN -0.006 nan 8.300 nan 0.000 0.501 552 D N 4.945 125.271 120.400 -0.124 0.000 2.144 552 D HA -0.196 3.932 4.640 -0.853 0.000 0.199 552 D C 2.011 178.325 176.300 0.024 0.000 0.984 552 D CA 1.388 55.379 54.000 -0.016 0.000 0.834 552 D CB 0.004 40.843 40.800 0.066 0.000 0.955 552 D HN 0.651 nan 8.370 nan 0.000 0.465 553 W N -0.425 120.972 121.300 0.161 0.000 2.465 553 W HA -0.087 4.061 4.660 -0.853 0.000 0.268 553 W C 1.546 178.146 176.519 0.135 0.000 1.242 553 W CA -0.318 57.088 57.345 0.102 0.000 1.248 553 W CB -1.383 28.091 29.460 0.023 0.000 1.118 553 W HN -0.072 nan 8.180 nan 0.000 0.587 554 F N 3.788 123.573 119.950 -0.275 0.000 2.120 554 F HA -0.307 3.708 4.527 -0.853 0.000 0.300 554 F C 2.706 178.562 175.800 0.094 0.000 1.095 554 F CA 3.453 61.385 58.000 -0.112 0.000 1.249 554 F CB -0.203 38.630 39.000 -0.279 0.000 0.995 554 F HN -0.127 nan 8.300 nan 0.000 0.480 555 K N -0.617 119.946 120.400 0.271 0.000 2.103 555 K HA -0.205 3.604 4.320 -0.853 0.000 0.207 555 K C 1.424 178.098 176.600 0.123 0.000 1.048 555 K CA 1.864 58.272 56.287 0.201 0.000 0.930 555 K CB -0.714 31.881 32.500 0.159 0.000 0.716 555 K HN 0.173 nan 8.250 nan 0.000 0.444 556 D N 1.333 121.811 120.400 0.131 0.000 2.351 556 D HA -0.090 4.038 4.640 -0.853 0.000 0.216 556 D C 1.751 178.086 176.300 0.059 0.000 0.968 556 D CA 0.762 54.822 54.000 0.100 0.000 0.899 556 D CB -0.067 40.807 40.800 0.125 0.000 0.907 556 D HN 0.288 nan 8.370 nan 0.000 0.514 557 L N -0.371 120.861 121.223 0.014 0.000 2.456 557 L HA 0.017 3.845 4.340 -0.853 0.000 0.224 557 L C 1.573 178.448 176.870 0.007 0.000 1.148 557 L CA 0.645 55.460 54.840 -0.041 0.000 0.825 557 L CB -0.324 41.616 42.059 -0.198 0.000 0.937 557 L HN 0.122 nan 8.230 nan 0.000 0.450 558 G N 0.364 109.183 108.800 0.031 0.000 2.137 558 G HA2 -0.256 3.192 3.960 -0.853 0.000 0.237 558 G HA3 -0.256 3.192 3.960 -0.853 0.000 0.237 558 G C 0.084 175.004 174.900 0.034 0.000 1.002 558 G CA -0.226 44.915 45.100 0.068 0.000 0.702 558 G HN 0.225 nan 8.290 nan 0.000 0.515 559 L N -0.135 121.063 121.223 -0.043 0.000 2.334 559 L HA 0.744 4.573 4.340 -0.853 0.000 0.277 559 L C 0.646 177.382 176.870 -0.223 0.000 1.075 559 L CA -0.446 54.294 54.840 -0.167 0.000 0.804 559 L CB 1.460 43.416 42.059 -0.171 0.000 1.174 559 L HN 0.474 nan 8.230 nan 0.000 0.438 560 K N 1.459 121.562 120.400 -0.495 0.000 2.555 560 K HA 0.534 4.342 4.320 -0.853 0.000 0.279 560 K C -1.910 174.749 176.600 0.099 0.000 0.986 560 K CA -1.035 55.128 56.287 -0.206 0.000 0.880 560 K CB 2.455 34.760 32.500 -0.325 0.000 1.474 560 K HN 0.596 nan 8.250 nan 0.000 0.433 561 W N 1.642 122.994 121.300 0.087 0.000 3.018 561 W HA 0.392 4.543 4.660 -0.847 0.000 0.352 561 W C -1.357 175.333 176.519 0.285 0.000 1.230 561 W CA -0.890 56.605 57.345 0.249 0.000 1.162 561 W CB 1.806 31.278 29.460 0.020 0.000 1.483 561 W HN 0.702 nan 8.180 nan 0.000 0.584 562 Y N -0.158 120.186 120.300 0.073 0.000 2.376 562 Y HA 0.609 4.651 4.550 -0.846 0.000 0.325 562 Y C 0.933 177.111 175.900 0.463 0.000 1.199 562 Y CA -0.291 57.888 58.100 0.130 0.000 1.206 562 Y CB 0.594 38.980 38.460 -0.124 0.000 1.229 562 Y HN 0.436 nan 8.280 nan 0.000 0.480 563 G N 1.350 110.417 108.800 0.445 0.000 2.511 563 G HA2 -0.029 3.419 3.960 -0.853 0.000 0.217 563 G HA3 -0.029 3.419 3.960 -0.853 0.000 0.217 563 G C -0.274 174.947 174.900 0.535 0.000 1.133 563 G CA 0.132 45.535 45.100 0.507 0.000 0.792 563 G HN 0.523 nan 8.290 nan 0.000 0.539 564 L N 2.434 123.930 121.223 0.456 0.000 2.277 564 L HA 0.476 4.304 4.340 -0.853 0.000 0.284 564 L C -2.318 174.658 176.870 0.177 0.000 1.028 564 L CA -2.594 52.403 54.840 0.262 0.000 0.835 564 L CB 1.811 43.975 42.059 0.175 0.000 1.215 564 L HN -0.177 nan 8.230 nan 0.000 0.425 565 P HA 0.365 nan 4.420 nan 0.000 0.293 565 P C -1.447 175.751 177.300 -0.170 0.000 1.313 565 P CA -0.369 62.557 63.100 -0.290 0.000 0.787 565 P CB 1.508 32.699 31.700 -0.848 0.000 0.910 566 A N 4.197 126.926 122.820 -0.151 0.000 2.522 566 A HA 0.415 4.224 4.320 -0.853 0.000 0.285 566 A C -0.495 176.871 177.584 -0.363 0.000 1.198 566 A CA -0.614 51.275 52.037 -0.246 0.000 0.742 566 A CB 0.795 19.668 19.000 -0.213 0.000 1.176 566 A HN 0.288 nan 8.150 nan 0.000 0.444 567 V N 2.842 122.392 119.914 -0.607 0.000 2.488 567 V HA 0.348 3.957 4.120 -0.853 0.000 0.277 567 V C 1.172 176.814 176.094 -0.753 0.000 1.046 567 V CA 1.035 62.919 62.300 -0.693 0.000 0.986 567 V CB 1.190 32.450 31.823 -0.939 0.000 0.989 567 V HN 1.123 nan 8.190 nan 0.000 0.475 568 S N 1.732 117.184 115.700 -0.413 0.000 2.787 568 S HA 0.047 4.006 4.470 -0.853 0.000 0.255 568 S C 0.761 175.276 174.600 -0.142 0.000 1.051 568 S CA 0.059 58.097 58.200 -0.270 0.000 1.124 568 S CB -0.408 62.678 63.200 -0.189 0.000 1.104 568 S HN 0.894 nan 8.310 nan 0.000 0.623 569 N N 0.515 119.132 118.700 -0.139 0.000 2.230 569 N HA 0.300 4.528 4.740 -0.853 0.000 0.202 569 N C 0.272 175.780 175.510 -0.003 0.000 1.119 569 N CA -0.474 52.535 53.050 -0.068 0.000 0.851 569 N CB 0.084 38.523 38.487 -0.080 0.000 0.990 569 N HN 0.289 nan 8.380 nan 0.000 0.497 570 M N 1.076 120.685 119.600 0.014 0.000 2.371 570 M HA 0.344 4.312 4.480 -0.853 0.000 0.301 570 M C -0.666 175.751 176.300 0.195 0.000 1.173 570 M CA -0.862 54.510 55.300 0.120 0.000 1.020 570 M CB 2.107 34.805 32.600 0.164 0.000 1.490 570 M HN 0.096 nan 8.290 nan 0.000 0.485 571 L N 2.138 123.482 121.223 0.202 0.000 2.322 571 L HA 0.522 4.351 4.340 -0.853 0.000 0.281 571 L C -1.413 175.600 176.870 0.239 0.000 1.014 571 L CA -0.936 54.022 54.840 0.197 0.000 0.815 571 L CB 1.353 43.475 42.059 0.105 0.000 1.247 571 L HN 0.558 nan 8.230 nan 0.000 0.421 572 L N 5.018 126.394 121.223 0.257 0.000 2.257 572 L HA 0.416 4.245 4.340 -0.853 0.000 0.290 572 L C -0.377 176.550 176.870 0.095 0.000 1.044 572 L CA 0.314 55.213 54.840 0.098 0.000 0.810 572 L CB 1.120 43.241 42.059 0.104 0.000 1.193 572 L HN 0.677 nan 8.230 nan 0.000 0.425 573 E N 5.981 126.145 120.200 -0.059 0.000 2.134 573 E HA 0.457 4.295 4.350 -0.853 0.000 0.278 573 E C -1.376 175.158 176.600 -0.110 0.000 0.959 573 E CA -0.459 55.912 56.400 -0.048 0.000 0.783 573 E CB 0.883 30.543 29.700 -0.066 0.000 1.095 573 E HN 0.699 nan 8.360 nan 0.000 0.399 574 I N 3.176 123.693 120.570 -0.089 0.000 2.478 574 I HA 0.290 3.948 4.170 -0.853 0.000 0.287 574 I C 0.770 176.663 176.117 -0.374 0.000 1.042 574 I CA -0.666 60.444 61.300 -0.317 0.000 1.067 574 I CB 2.017 39.794 38.000 -0.370 0.000 1.233 574 I HN 0.849 nan 8.210 nan 0.000 0.431 575 G N 4.201 112.752 108.800 -0.415 0.000 2.321 575 G HA2 -0.135 3.313 3.960 -0.853 0.000 0.287 575 G HA3 -0.135 3.313 3.960 -0.853 0.000 0.287 575 G C 1.024 175.966 174.900 0.069 0.000 1.018 575 G CA 0.811 45.861 45.100 -0.083 0.000 0.855 575 G HN 1.582 nan 8.290 nan 0.000 0.507 576 G N -2.155 106.642 108.800 -0.006 0.000 2.199 576 G HA2 -0.224 3.224 3.960 -0.853 0.000 0.254 576 G HA3 -0.224 3.224 3.960 -0.853 0.000 0.254 576 G C 0.454 175.324 174.900 -0.050 0.000 0.982 576 G CA 0.483 45.590 45.100 0.011 0.000 0.632 576 G HN 1.321 nan 8.290 nan 0.000 0.529 577 L N 0.692 121.836 121.223 -0.132 0.000 2.350 577 L HA 0.596 4.425 4.340 -0.853 0.000 0.275 577 L C 0.345 176.996 176.870 -0.365 0.000 1.099 577 L CA -0.474 54.179 54.840 -0.313 0.000 0.808 577 L CB 1.181 42.946 42.059 -0.490 0.000 1.149 577 L HN 0.125 nan 8.230 nan 0.000 0.442 578 E N 2.702 122.620 120.200 -0.469 0.000 2.155 578 E HA 0.335 4.174 4.350 -0.853 0.000 0.264 578 E C -1.435 174.890 176.600 -0.458 0.000 0.886 578 E CA -0.370 55.843 56.400 -0.312 0.000 0.752 578 E CB 1.383 30.987 29.700 -0.160 0.000 1.133 578 E HN 0.300 nan 8.360 nan 0.000 0.414 579 F N 2.079 122.011 119.950 -0.030 0.000 2.291 579 F HA 0.089 4.103 4.527 -0.856 0.000 0.368 579 F C 1.507 177.348 175.800 0.069 0.000 1.085 579 F CA -0.433 57.571 58.000 0.007 0.000 1.165 579 F CB 1.015 40.003 39.000 -0.019 0.000 1.429 579 F HN 0.404 nan 8.300 nan 0.000 0.503 580 S N 1.142 116.954 115.700 0.185 0.000 2.522 580 S HA 0.280 4.238 4.470 -0.853 0.000 0.227 580 S C 0.761 175.487 174.600 0.210 0.000 0.986 580 S CA 0.220 58.518 58.200 0.165 0.000 0.929 580 S CB 0.098 63.368 63.200 0.117 0.000 0.769 580 S HN 0.456 nan 8.310 nan 0.000 0.529 581 A N 0.865 123.861 122.820 0.295 0.000 2.340 581 A HA 0.607 4.416 4.320 -0.853 0.000 0.297 581 A C -0.120 177.711 177.584 0.411 0.000 1.195 581 A CA -0.616 51.624 52.037 0.338 0.000 0.769 581 A CB 0.451 19.667 19.000 0.359 0.000 1.163 581 A HN 1.038 nan 8.150 nan 0.000 0.472 582 C N 0.445 119.934 119.300 0.314 0.000 3.090 582 C HA 0.439 4.388 4.460 -0.853 0.000 0.227 582 C C -2.909 172.221 174.990 0.233 0.000 1.753 582 C CA -1.692 57.485 59.018 0.265 0.000 1.152 582 C CB -0.553 27.380 27.740 0.322 0.000 2.036 582 C HN 0.541 nan 8.230 nan 0.000 0.610 583 P HA 0.300 nan 4.420 nan 0.000 0.265 583 P C -0.556 176.756 177.300 0.020 0.000 1.193 583 P CA 1.030 64.077 63.100 -0.089 0.000 0.765 583 P CB 0.266 31.889 31.700 -0.129 0.000 0.823 584 F N -0.455 119.430 119.950 -0.108 0.000 2.588 584 F HA 0.789 4.806 4.527 -0.850 0.000 0.314 584 F C -0.537 175.169 175.800 -0.156 0.000 1.069 584 F CA -1.232 56.709 58.000 -0.098 0.000 0.931 584 F CB 1.528 40.344 39.000 -0.306 0.000 1.260 584 F HN 0.368 nan 8.300 nan 0.000 0.465 585 S N 0.153 115.928 115.700 0.125 0.000 2.564 585 S HA 0.958 4.916 4.470 -0.853 0.000 0.274 585 S C -0.701 173.836 174.600 -0.104 0.000 1.124 585 S CA -0.177 58.028 58.200 0.009 0.000 0.869 585 S CB 1.553 64.848 63.200 0.159 0.000 1.105 585 S HN 1.450 nan 8.310 nan 0.000 0.472 586 G N 0.001 108.691 108.800 -0.184 0.000 3.382 586 G HA2 0.735 4.184 3.960 -0.853 0.000 0.183 586 G HA3 0.735 4.184 3.960 -0.853 0.000 0.183 586 G C -1.501 173.368 174.900 -0.051 0.000 1.246 586 G CA -0.328 44.582 45.100 -0.316 0.000 0.828 586 G HN 1.093 nan 8.290 nan 0.000 0.728 587 W N -1.554 119.744 121.300 -0.004 0.000 3.062 587 W HA 0.804 4.951 4.660 -0.854 0.000 0.336 587 W C -1.453 175.070 176.519 0.007 0.000 1.224 587 W CA -2.200 55.157 57.345 0.021 0.000 1.159 587 W CB 0.452 29.970 29.460 0.097 0.000 1.454 587 W HN 0.446 nan 8.180 nan 0.000 0.569 588 Y N 2.387 122.878 120.300 0.319 0.000 2.336 588 Y HA 0.257 4.295 4.550 -0.853 0.000 0.331 588 Y C 0.984 176.953 175.900 0.116 0.000 1.211 588 Y CA -0.689 57.474 58.100 0.105 0.000 1.346 588 Y CB 1.234 39.656 38.460 -0.063 0.000 1.271 588 Y HN 0.381 nan 8.280 nan 0.000 0.538 589 M N 2.351 122.102 119.600 0.250 0.000 2.233 589 M HA 0.293 4.261 4.480 -0.853 0.000 0.355 589 M C 1.146 177.443 176.300 -0.006 0.000 1.191 589 M CA 0.100 55.479 55.300 0.132 0.000 1.101 589 M CB 1.193 33.852 32.600 0.098 0.000 1.592 589 M HN 0.896 nan 8.290 nan 0.000 0.461 590 G N 1.282 110.043 108.800 -0.065 0.000 2.469 590 G HA2 -0.269 3.179 3.960 -0.853 0.000 0.219 590 G HA3 -0.269 3.179 3.960 -0.853 0.000 0.219 590 G C 1.163 175.905 174.900 -0.263 0.000 1.150 590 G CA 1.601 46.576 45.100 -0.207 0.000 0.763 590 G HN 0.887 nan 8.290 nan 0.000 0.561 591 T N -0.685 113.754 114.554 -0.192 0.000 2.881 591 T HA -0.052 3.787 4.350 -0.853 0.000 0.270 591 T C 1.918 176.451 174.700 -0.278 0.000 1.068 591 T CA 1.595 63.540 62.100 -0.259 0.000 1.131 591 T CB -0.282 68.398 68.868 -0.313 0.000 0.871 591 T HN 0.521 nan 8.240 nan 0.000 0.479 592 E N 1.036 121.091 120.200 -0.243 0.000 2.058 592 E HA -0.087 3.751 4.350 -0.853 0.000 0.194 592 E C 2.125 178.425 176.600 -0.500 0.000 0.997 592 E CA 1.578 57.836 56.400 -0.237 0.000 0.801 592 E CB -0.371 29.328 29.700 -0.002 0.000 0.746 592 E HN 0.596 nan 8.360 nan 0.000 0.450 593 I N 0.295 120.373 120.570 -0.820 0.000 2.235 593 I HA -0.099 3.560 4.170 -0.853 0.000 0.241 593 I C 2.581 178.094 176.117 -1.006 0.000 1.085 593 I CA 1.156 61.696 61.300 -1.267 0.000 1.378 593 I CB -0.450 36.666 38.000 -1.473 0.000 1.076 593 I HN 0.117 nan 8.210 nan 0.000 0.415 594 G N 0.193 108.626 108.800 -0.612 0.000 2.448 594 G HA2 -0.055 3.394 3.960 -0.853 0.000 0.218 594 G HA3 -0.055 3.394 3.960 -0.853 0.000 0.218 594 G C 1.572 176.388 174.900 -0.139 0.000 1.135 594 G CA 0.689 45.619 45.100 -0.283 0.000 0.784 594 G HN 0.222 nan 8.290 nan 0.000 0.543 595 V N 0.016 119.807 119.914 -0.206 0.000 2.490 595 V HA 0.115 3.723 4.120 -0.853 0.000 0.238 595 V C 2.539 178.559 176.094 -0.124 0.000 1.056 595 V CA 1.377 63.593 62.300 -0.139 0.000 1.075 595 V CB -0.342 31.377 31.823 -0.174 0.000 0.746 595 V HN 0.299 nan 8.190 nan 0.000 0.479 596 R N 0.366 120.760 120.500 -0.176 0.000 2.055 596 R HA -0.144 3.685 4.340 -0.853 0.000 0.228 596 R C 2.053 178.299 176.300 -0.091 0.000 1.143 596 R CA 2.100 58.124 56.100 -0.127 0.000 0.945 596 R CB -0.369 29.852 30.300 -0.132 0.000 0.841 596 R HN 0.456 nan 8.270 nan 0.000 0.429 597 D N -0.465 119.792 120.400 -0.239 0.000 2.117 597 D HA -0.153 3.975 4.640 -0.853 0.000 0.198 597 D C 1.827 178.159 176.300 0.053 0.000 0.982 597 D CA 1.374 55.237 54.000 -0.228 0.000 0.828 597 D CB -0.259 39.969 40.800 -0.952 0.000 0.967 597 D HN 0.428 nan 8.370 nan 0.000 0.464 598 Y N -0.488 119.712 120.300 -0.165 0.000 2.365 598 Y HA -0.031 4.007 4.550 -0.853 0.000 0.293 598 Y C 2.206 178.147 175.900 0.069 0.000 1.119 598 Y CA 0.175 58.268 58.100 -0.011 0.000 1.203 598 Y CB 0.384 38.809 38.460 -0.059 0.000 1.026 598 Y HN 0.035 nan 8.280 nan 0.000 0.549 599 C N -1.027 118.377 119.300 0.174 0.000 3.230 599 C HA 0.160 4.108 4.460 -0.853 0.000 0.300 599 C C 0.214 175.244 174.990 0.067 0.000 1.292 599 C CA -0.687 58.399 59.018 0.112 0.000 1.707 599 C CB -0.565 27.219 27.740 0.073 0.000 2.181 599 C HN 0.230 nan 8.230 nan 0.000 0.655 600 D N 2.134 122.567 120.400 0.054 0.000 2.472 600 D HA 0.009 4.138 4.640 -0.853 0.000 0.237 600 D C 0.989 177.323 176.300 0.058 0.000 1.141 600 D CA 0.455 54.477 54.000 0.037 0.000 0.875 600 D CB 0.479 41.296 40.800 0.029 0.000 1.192 600 D HN 0.205 nan 8.370 nan 0.000 0.450 601 N N 0.292 119.015 118.700 0.039 0.000 2.223 601 N HA -0.141 4.087 4.740 -0.853 0.000 0.185 601 N C 1.213 176.745 175.510 0.037 0.000 1.016 601 N CA 0.777 53.852 53.050 0.041 0.000 0.863 601 N CB -0.058 38.447 38.487 0.031 0.000 0.983 601 N HN 0.371 nan 8.380 nan 0.000 0.429 602 S N -0.502 115.218 115.700 0.034 0.000 2.634 602 S HA 0.279 4.237 4.470 -0.853 0.000 0.221 602 S C 1.012 175.632 174.600 0.034 0.000 0.952 602 S CA -0.362 57.856 58.200 0.029 0.000 0.930 602 S CB 0.686 63.903 63.200 0.028 0.000 0.780 602 S HN 0.003 nan 8.310 nan 0.000 0.498 603 R N 0.277 120.812 120.500 0.057 0.000 2.769 603 R HA 0.414 4.242 4.340 -0.853 0.000 0.117 603 R C 0.680 177.013 176.300 0.055 0.000 1.152 603 R CA -0.514 55.641 56.100 0.093 0.000 0.887 603 R CB -1.034 29.379 30.300 0.188 0.000 1.099 603 R HN 0.284 nan 8.270 nan 0.000 0.398 604 Y N 1.594 122.003 120.300 0.182 0.000 2.457 604 Y HA 0.042 4.080 4.550 -0.854 0.000 0.292 604 Y C 0.687 176.648 175.900 0.102 0.000 1.125 604 Y CA 1.039 59.238 58.100 0.165 0.000 1.254 604 Y CB -0.094 38.520 38.460 0.257 0.000 1.012 604 Y HN 0.530 nan 8.280 nan 0.000 0.555 605 N N 1.078 119.911 118.700 0.222 0.000 2.714 605 N HA -0.216 4.012 4.740 -0.853 0.000 0.253 605 N C 0.207 175.794 175.510 0.128 0.000 1.024 605 N CA 0.460 53.593 53.050 0.139 0.000 0.726 605 N CB -1.064 37.476 38.487 0.089 0.000 0.908 605 N HN 0.606 nan 8.380 nan 0.000 0.542 606 I N -2.774 117.878 120.570 0.137 0.000 3.928 606 I HA 0.111 3.770 4.170 -0.853 0.000 0.335 606 I C 1.819 178.000 176.117 0.106 0.000 1.325 606 I CA -0.546 60.808 61.300 0.091 0.000 1.107 606 I CB -0.002 38.013 38.000 0.025 0.000 1.014 606 I HN 0.163 nan 8.210 nan 0.000 0.400 607 L N 1.095 122.403 121.223 0.141 0.000 1.989 607 L HA -0.162 3.667 4.340 -0.853 0.000 0.211 607 L C 2.707 179.727 176.870 0.250 0.000 1.071 607 L CA 1.791 56.745 54.840 0.190 0.000 0.749 607 L CB -0.392 41.764 42.059 0.161 0.000 0.890 607 L HN 0.379 nan 8.230 nan 0.000 0.431 608 E N 0.013 120.349 120.200 0.228 0.000 2.049 608 E HA -0.289 3.549 4.350 -0.853 0.000 0.198 608 E C 1.946 178.571 176.600 0.041 0.000 1.007 608 E CA 1.955 58.453 56.400 0.164 0.000 0.809 608 E CB -0.167 29.594 29.700 0.101 0.000 0.749 608 E HN 0.629 nan 8.360 nan 0.000 0.450 609 E N 0.381 120.593 120.200 0.021 0.000 2.106 609 E HA -0.121 3.717 4.350 -0.853 0.000 0.192 609 E C 2.234 178.785 176.600 -0.082 0.000 0.984 609 E CA 0.968 57.339 56.400 -0.049 0.000 0.806 609 E CB -0.018 29.654 29.700 -0.046 0.000 0.750 609 E HN 0.043 nan 8.360 nan 0.000 0.458 610 V N 1.544 121.462 119.914 0.006 0.000 2.358 610 V HA -0.231 3.377 4.120 -0.853 0.000 0.246 610 V C 2.380 178.489 176.094 0.025 0.000 1.047 610 V CA 1.749 64.088 62.300 0.064 0.000 1.035 610 V CB -0.717 31.244 31.823 0.229 0.000 0.658 610 V HN 0.343 nan 8.190 nan 0.000 0.452 611 A N -0.282 122.593 122.820 0.092 0.000 1.940 611 A HA -0.246 3.562 4.320 -0.853 0.000 0.219 611 A C 2.298 179.804 177.584 -0.131 0.000 1.176 611 A CA 1.932 54.018 52.037 0.082 0.000 0.631 611 A CB -0.420 18.731 19.000 0.253 0.000 0.814 611 A HN 0.544 nan 8.150 nan 0.000 0.446 612 K N -0.478 119.802 120.400 -0.201 0.000 2.057 612 K HA -0.084 3.724 4.320 -0.853 0.000 0.206 612 K C 1.879 178.246 176.600 -0.388 0.000 1.050 612 K CA 1.181 57.303 56.287 -0.275 0.000 0.935 612 K CB -0.116 32.241 32.500 -0.238 0.000 0.715 612 K HN 0.252 nan 8.250 nan 0.000 0.439 613 K N 0.517 120.576 120.400 -0.568 0.000 2.217 613 K HA 0.012 3.820 4.320 -0.853 0.000 0.202 613 K C 1.856 177.811 176.600 -1.076 0.000 1.051 613 K CA 0.963 56.616 56.287 -1.055 0.000 0.952 613 K CB 0.018 31.462 32.500 -1.761 0.000 0.736 613 K HN 0.221 nan 8.250 nan 0.000 0.453 614 M N 0.279 119.501 119.600 -0.629 0.000 2.619 614 M HA -0.074 3.894 4.480 -0.853 0.000 0.251 614 M C -0.230 175.932 176.300 -0.229 0.000 1.106 614 M CA 0.396 55.497 55.300 -0.331 0.000 1.086 614 M CB -0.215 32.329 32.600 -0.094 0.000 1.465 614 M HN 0.025 nan 8.290 nan 0.000 0.506 615 D N 1.582 121.826 120.400 -0.259 0.000 2.701 615 D HA -0.164 3.965 4.640 -0.853 0.000 0.235 615 D C -0.668 175.561 176.300 -0.119 0.000 1.155 615 D CA 0.446 54.334 54.000 -0.187 0.000 0.649 615 D CB -0.854 39.847 40.800 -0.165 0.000 1.050 615 D HN 0.304 nan 8.370 nan 0.000 0.425 616 L N -0.143 121.021 121.223 -0.098 0.000 2.464 616 L HA 0.211 4.039 4.340 -0.853 0.000 0.264 616 L C 1.026 177.828 176.870 -0.113 0.000 1.199 616 L CA -0.195 54.624 54.840 -0.035 0.000 0.818 616 L CB 0.345 42.453 42.059 0.082 0.000 1.102 616 L HN 0.104 nan 8.230 nan 0.000 0.473 617 D N 1.325 121.687 120.400 -0.064 0.000 2.365 617 D HA 0.202 4.330 4.640 -0.853 0.000 0.237 617 D C 0.391 176.552 176.300 -0.233 0.000 1.190 617 D CA 0.006 53.937 54.000 -0.115 0.000 0.867 617 D CB 0.707 41.487 40.800 -0.033 0.000 1.050 617 D HN 0.353 nan 8.370 nan 0.000 0.491 618 M N 2.684 121.991 119.600 -0.489 0.000 2.453 618 M HA 0.190 4.159 4.480 -0.853 0.000 0.239 618 M C 1.681 177.751 176.300 -0.382 0.000 1.151 618 M CA -0.191 54.537 55.300 -0.952 0.000 0.989 618 M CB 0.396 32.242 32.600 -1.257 0.000 1.548 618 M HN 0.337 nan 8.290 nan 0.000 0.479 619 R N 1.695 122.094 120.500 -0.168 0.000 2.075 619 R HA -0.049 3.780 4.340 -0.853 0.000 0.232 619 R C -0.006 176.318 176.300 0.040 0.000 1.126 619 R CA 1.071 57.136 56.100 -0.057 0.000 0.963 619 R CB 0.048 30.325 30.300 -0.039 0.000 0.858 619 R HN 0.352 nan 8.270 nan 0.000 0.435 620 K N -0.796 119.670 120.400 0.109 0.000 2.427 620 K HA 0.224 4.032 4.320 -0.853 0.000 0.252 620 K C 0.504 177.275 176.600 0.285 0.000 0.931 620 K CA -0.398 55.984 56.287 0.159 0.000 0.793 620 K CB 1.828 34.387 32.500 0.098 0.000 1.211 620 K HN -0.147 nan 8.250 nan 0.000 0.426 621 T N -2.036 112.660 114.554 0.236 0.000 2.849 621 T HA -0.219 3.619 4.350 -0.853 0.000 0.270 621 T C 1.698 176.443 174.700 0.075 0.000 1.066 621 T CA 1.652 63.845 62.100 0.156 0.000 1.130 621 T CB -0.547 68.351 68.868 0.050 0.000 0.864 621 T HN 0.601 nan 8.240 nan 0.000 0.481 622 S N 2.180 117.932 115.700 0.087 0.000 2.507 622 S HA -0.072 3.886 4.470 -0.853 0.000 0.235 622 S C 2.129 176.773 174.600 0.073 0.000 0.988 622 S CA 0.807 59.041 58.200 0.057 0.000 0.944 622 S CB -0.836 62.394 63.200 0.049 0.000 0.762 622 S HN 0.790 nan 8.310 nan 0.000 0.526 623 S N 2.041 117.820 115.700 0.132 0.000 2.555 623 S HA 0.136 4.094 4.470 -0.853 0.000 0.230 623 S C 0.991 175.667 174.600 0.126 0.000 0.978 623 S CA 0.330 58.618 58.200 0.147 0.000 0.934 623 S CB -1.083 62.244 63.200 0.213 0.000 0.766 623 S HN 0.646 nan 8.310 nan 0.000 0.533 624 L N 0.463 121.718 121.223 0.054 0.000 3.839 624 L HA -0.198 3.630 4.340 -0.853 0.000 0.416 624 L C 1.722 178.589 176.870 -0.005 0.000 1.195 624 L CA 0.744 55.562 54.840 -0.038 0.000 0.946 624 L CB -2.709 39.342 42.059 -0.014 0.000 1.891 624 L HN 0.724 nan 8.230 nan 0.000 0.963 625 W N 0.313 121.629 121.300 0.028 0.000 2.338 625 W HA -0.179 3.969 4.660 -0.853 0.000 0.304 625 W C 1.788 178.332 176.519 0.041 0.000 1.212 625 W CA 1.456 58.820 57.345 0.031 0.000 1.264 625 W CB -0.770 28.700 29.460 0.015 0.000 1.142 625 W HN 0.246 nan 8.180 nan 0.000 0.512 626 K N 0.932 120.827 120.400 -0.842 0.000 2.103 626 K HA -0.188 3.620 4.320 -0.853 0.000 0.207 626 K C 1.504 177.966 176.600 -0.230 0.000 1.048 626 K CA 2.463 58.328 56.287 -0.704 0.000 0.930 626 K CB -0.292 31.655 32.500 -0.922 0.000 0.716 626 K HN 0.112 nan 8.250 nan 0.000 0.444 627 D N 0.104 120.397 120.400 -0.179 0.000 2.162 627 D HA -0.101 4.027 4.640 -0.853 0.000 0.203 627 D C 1.961 178.275 176.300 0.024 0.000 0.967 627 D CA 0.759 54.718 54.000 -0.067 0.000 0.840 627 D CB 0.088 40.852 40.800 -0.060 0.000 0.972 627 D HN 0.161 nan 8.370 nan 0.000 0.482 628 Q N 0.481 120.322 119.800 0.069 0.000 2.020 628 Q HA -0.122 3.706 4.340 -0.853 0.000 0.202 628 Q C 2.353 178.462 176.000 0.182 0.000 0.982 628 Q CA 1.421 57.305 55.803 0.136 0.000 0.838 628 Q CB -0.259 28.579 28.738 0.166 0.000 0.899 628 Q HN 0.302 nan 8.270 nan 0.000 0.423 629 A N 1.094 124.037 122.820 0.205 0.000 1.902 629 A HA -0.186 3.623 4.320 -0.853 0.000 0.217 629 A C 2.105 179.822 177.584 0.222 0.000 1.181 629 A CA 1.247 53.439 52.037 0.258 0.000 0.623 629 A CB -0.670 18.499 19.000 0.283 0.000 0.818 629 A HN 0.330 nan 8.150 nan 0.000 0.443 630 L N -0.025 121.277 121.223 0.132 0.000 2.042 630 L HA -0.135 3.694 4.340 -0.853 0.000 0.210 630 L C 2.396 179.328 176.870 0.103 0.000 1.076 630 L CA 1.966 56.862 54.840 0.095 0.000 0.749 630 L CB -0.502 41.567 42.059 0.017 0.000 0.893 630 L HN 0.165 nan 8.230 nan 0.000 0.432 631 V N -0.043 119.934 119.914 0.105 0.000 2.255 631 V HA -0.266 3.342 4.120 -0.853 0.000 0.247 631 V C 2.635 178.813 176.094 0.139 0.000 1.051 631 V CA 2.034 64.399 62.300 0.108 0.000 1.018 631 V CB -0.755 31.133 31.823 0.108 0.000 0.641 631 V HN 0.487 nan 8.190 nan 0.000 0.445 632 E N -0.202 120.129 120.200 0.217 0.000 2.106 632 E HA -0.136 3.702 4.350 -0.853 0.000 0.192 632 E C 2.160 178.914 176.600 0.257 0.000 0.984 632 E CA 1.162 57.739 56.400 0.296 0.000 0.806 632 E CB -0.306 29.672 29.700 0.462 0.000 0.750 632 E HN 0.586 nan 8.360 nan 0.000 0.458 633 I N 1.861 122.615 120.570 0.307 0.000 2.163 633 I HA -0.281 3.378 4.170 -0.853 0.000 0.243 633 I C 2.149 178.360 176.117 0.157 0.000 1.085 633 I CA 0.992 62.497 61.300 0.342 0.000 1.347 633 I CB -0.289 37.940 38.000 0.382 0.000 1.044 633 I HN 0.069 nan 8.210 nan 0.000 0.408 634 N N 0.695 119.450 118.700 0.091 0.000 2.244 634 N HA -0.083 4.146 4.740 -0.853 0.000 0.183 634 N C 2.000 177.500 175.510 -0.017 0.000 1.016 634 N CA 1.205 54.262 53.050 0.012 0.000 0.866 634 N CB -0.017 38.466 38.487 -0.007 0.000 0.980 634 N HN 0.362 nan 8.380 nan 0.000 0.430 635 I N 1.357 121.907 120.570 -0.032 0.000 2.208 635 I HA -0.254 3.404 4.170 -0.853 0.000 0.245 635 I C 2.387 178.370 176.117 -0.223 0.000 1.097 635 I CA 0.927 62.146 61.300 -0.136 0.000 1.363 635 I CB -0.178 37.688 38.000 -0.224 0.000 1.051 635 I HN 0.073 nan 8.210 nan 0.000 0.413 636 A N 0.056 122.706 122.820 -0.282 0.000 1.930 636 A HA -0.114 3.694 4.320 -0.853 0.000 0.217 636 A C 2.401 179.948 177.584 -0.061 0.000 1.175 636 A CA 1.294 53.123 52.037 -0.347 0.000 0.627 636 A CB -0.821 17.701 19.000 -0.796 0.000 0.815 636 A HN 0.222 nan 8.150 nan 0.000 0.443 637 V N 0.258 120.170 119.914 -0.005 0.000 2.233 637 V HA -0.301 3.307 4.120 -0.853 0.000 0.247 637 V C 2.602 178.713 176.094 0.028 0.000 1.050 637 V CA 2.214 64.532 62.300 0.030 0.000 1.010 637 V CB -0.842 30.903 31.823 -0.130 0.000 0.637 637 V HN 0.587 nan 8.190 nan 0.000 0.444 638 L N -1.411 119.793 121.223 -0.031 0.000 2.042 638 L HA -0.239 3.590 4.340 -0.853 0.000 0.210 638 L C 2.493 179.405 176.870 0.070 0.000 1.076 638 L CA 2.150 56.988 54.840 -0.005 0.000 0.749 638 L CB -0.756 41.298 42.059 -0.009 0.000 0.893 638 L HN 0.425 nan 8.230 nan 0.000 0.432 639 Y N 0.483 120.738 120.300 -0.074 0.000 2.181 639 Y HA -0.273 3.766 4.550 -0.852 0.000 0.288 639 Y C 2.757 178.649 175.900 -0.013 0.000 1.146 639 Y CA 1.761 59.808 58.100 -0.088 0.000 1.164 639 Y CB -0.239 38.096 38.460 -0.209 0.000 0.982 639 Y HN 0.074 nan 8.280 nan 0.000 0.515 640 S N -0.029 115.675 115.700 0.006 0.000 2.368 640 S HA -0.147 3.812 4.470 -0.853 0.000 0.224 640 S C 1.763 176.366 174.600 0.005 0.000 1.029 640 S CA 1.385 59.576 58.200 -0.015 0.000 0.988 640 S CB -0.663 62.628 63.200 0.151 0.000 0.838 640 S HN 0.418 nan 8.310 nan 0.000 0.462 641 F N 2.055 121.954 119.950 -0.086 0.000 2.146 641 F HA -0.069 3.946 4.527 -0.854 0.000 0.298 641 F C 2.635 178.375 175.800 -0.099 0.000 1.096 641 F CA 1.010 58.977 58.000 -0.055 0.000 1.275 641 F CB -0.747 38.247 39.000 -0.010 0.000 1.008 641 F HN 0.204 nan 8.300 nan 0.000 0.480 642 Q N -0.652 119.182 119.800 0.056 0.000 2.084 642 Q HA -0.166 3.662 4.340 -0.853 0.000 0.202 642 Q C 2.315 178.218 176.000 -0.162 0.000 0.978 642 Q CA 1.893 57.662 55.803 -0.058 0.000 0.844 642 Q CB -0.437 28.262 28.738 -0.065 0.000 0.898 642 Q HN 0.256 nan 8.270 nan 0.000 0.426 643 S N 0.959 116.476 115.700 -0.304 0.000 2.402 643 S HA -0.095 3.863 4.470 -0.853 0.000 0.229 643 S C 0.826 175.308 174.600 -0.196 0.000 1.021 643 S CA 1.049 59.051 58.200 -0.330 0.000 0.974 643 S CB -0.013 62.866 63.200 -0.534 0.000 0.800 643 S HN 0.310 nan 8.310 nan 0.000 0.484 644 D N 0.471 120.767 120.400 -0.175 0.000 2.325 644 D HA 0.154 4.283 4.640 -0.853 0.000 0.225 644 D C 0.392 176.620 176.300 -0.120 0.000 1.096 644 D CA 0.132 54.045 54.000 -0.145 0.000 0.844 644 D CB -0.018 40.675 40.800 -0.177 0.000 0.925 644 D HN 0.042 nan 8.370 nan 0.000 0.513 645 K N -0.018 120.321 120.400 -0.101 0.000 3.077 645 K HA -0.155 3.653 4.320 -0.853 0.000 0.264 645 K C -1.227 175.336 176.600 -0.062 0.000 1.008 645 K CA 0.162 56.404 56.287 -0.074 0.000 0.740 645 K CB -1.701 30.757 32.500 -0.070 0.000 1.273 645 K HN 0.011 nan 8.250 nan 0.000 0.477 646 V N 1.666 121.550 119.914 -0.050 0.000 2.398 646 V HA 0.270 3.878 4.120 -0.853 0.000 0.286 646 V C 0.586 176.754 176.094 0.123 0.000 1.026 646 V CA -0.529 61.766 62.300 -0.008 0.000 0.868 646 V CB 1.741 33.463 31.823 -0.170 0.000 0.982 646 V HN 0.358 nan 8.190 nan 0.000 0.443 647 T N 6.543 121.134 114.554 0.061 0.000 2.905 647 T HA 0.329 4.168 4.350 -0.853 0.000 0.299 647 T C -0.243 174.547 174.700 0.149 0.000 1.024 647 T CA 0.931 63.007 62.100 -0.040 0.000 1.151 647 T CB 0.012 68.700 68.868 -0.299 0.000 0.987 647 T HN 0.584 nan 8.240 nan 0.000 0.535 648 I N 2.523 123.127 120.570 0.056 0.000 2.908 648 I HA 0.629 4.288 4.170 -0.853 0.000 0.300 648 I C -1.544 174.613 176.117 0.068 0.000 1.385 648 I CA -0.965 60.404 61.300 0.115 0.000 1.004 648 I CB 1.949 39.949 38.000 -0.000 0.000 1.309 648 I HN 0.445 nan 8.210 nan 0.000 0.449 649 V N 5.393 125.405 119.914 0.163 0.000 2.588 649 V HA 0.491 4.100 4.120 -0.853 0.000 0.304 649 V C -1.128 175.027 176.094 0.102 0.000 1.042 649 V CA -0.287 62.103 62.300 0.149 0.000 0.877 649 V CB 2.110 34.098 31.823 0.276 0.000 0.996 649 V HN 0.879 nan 8.190 nan 0.000 0.425 650 D N 4.110 124.550 120.400 0.066 0.000 2.344 650 D HA 0.162 4.290 4.640 -0.853 0.000 0.244 650 D C 1.257 177.567 176.300 0.016 0.000 1.134 650 D CA 0.092 54.124 54.000 0.054 0.000 0.930 650 D CB 0.542 41.355 40.800 0.021 0.000 1.175 650 D HN 0.730 nan 8.370 nan 0.000 0.437 651 H N 0.568 119.579 119.070 -0.099 0.000 2.489 651 H HA -0.143 3.901 4.556 -0.853 0.000 0.293 651 H C 0.914 176.144 175.328 -0.164 0.000 1.066 651 H CA 1.309 57.261 56.048 -0.160 0.000 1.305 651 H CB -0.572 29.041 29.762 -0.248 0.000 1.386 651 H HN 0.551 nan 8.280 nan 0.000 0.551 652 H N 0.586 119.436 119.070 -0.367 0.000 2.333 652 H HA -0.058 3.986 4.556 -0.853 0.000 0.302 652 H C 2.437 177.739 175.328 -0.044 0.000 1.075 652 H CA 1.406 57.342 56.048 -0.188 0.000 1.348 652 H CB -0.079 29.547 29.762 -0.227 0.000 1.393 652 H HN 0.423 nan 8.280 nan 0.000 0.509 653 S N 0.661 116.411 115.700 0.083 0.000 2.368 653 S HA -0.076 3.882 4.470 -0.853 0.000 0.224 653 S C 2.414 177.084 174.600 0.117 0.000 1.029 653 S CA 1.008 59.262 58.200 0.090 0.000 0.988 653 S CB -0.229 63.015 63.200 0.074 0.000 0.838 653 S HN 0.439 nan 8.310 nan 0.000 0.462 654 A N 1.009 123.899 122.820 0.117 0.000 1.898 654 A HA -0.053 3.755 4.320 -0.853 0.000 0.216 654 A C 2.489 180.177 177.584 0.173 0.000 1.181 654 A CA 2.306 54.436 52.037 0.154 0.000 0.620 654 A CB -1.593 17.490 19.000 0.139 0.000 0.819 654 A HN 0.782 nan 8.150 nan 0.000 0.442 655 T N -2.059 112.579 114.554 0.139 0.000 2.904 655 T HA -0.098 3.740 4.350 -0.853 0.000 0.267 655 T C 1.735 176.568 174.700 0.222 0.000 1.059 655 T CA 1.325 63.533 62.100 0.180 0.000 1.137 655 T CB -0.294 68.643 68.868 0.115 0.000 0.879 655 T HN 0.631 nan 8.240 nan 0.000 0.467 656 E N 1.283 121.583 120.200 0.167 0.000 2.077 656 E HA -0.154 3.684 4.350 -0.853 0.000 0.193 656 E C 2.275 178.965 176.600 0.150 0.000 0.989 656 E CA 1.347 57.834 56.400 0.145 0.000 0.800 656 E CB -0.288 29.479 29.700 0.111 0.000 0.746 656 E HN 0.504 nan 8.360 nan 0.000 0.452 657 S N -0.020 115.780 115.700 0.167 0.000 2.382 657 S HA -0.137 3.822 4.470 -0.853 0.000 0.228 657 S C 1.446 176.169 174.600 0.205 0.000 1.027 657 S CA 1.092 59.392 58.200 0.166 0.000 0.991 657 S CB -0.406 62.900 63.200 0.176 0.000 0.823 657 S HN 0.401 nan 8.310 nan 0.000 0.469 658 F N 2.160 122.182 119.950 0.120 0.000 2.146 658 F HA -0.029 3.986 4.527 -0.853 0.000 0.298 658 F C 1.833 177.729 175.800 0.161 0.000 1.096 658 F CA 0.947 59.037 58.000 0.150 0.000 1.275 658 F CB -0.224 38.847 39.000 0.118 0.000 1.008 658 F HN 0.094 nan 8.300 nan 0.000 0.480 659 I N 0.679 121.314 120.570 0.107 0.000 2.226 659 I HA -0.282 3.376 4.170 -0.853 0.000 0.245 659 I C 2.377 178.457 176.117 -0.063 0.000 1.100 659 I CA 1.450 62.750 61.300 -0.001 0.000 1.374 659 I CB -1.242 36.820 38.000 0.104 0.000 1.057 659 I HN 0.194 nan 8.210 nan 0.000 0.413 660 K N 0.345 120.747 120.400 0.002 0.000 2.063 660 K HA -0.286 3.523 4.320 -0.853 0.000 0.208 660 K C 2.351 178.940 176.600 -0.018 0.000 1.048 660 K CA 1.840 58.130 56.287 0.005 0.000 0.928 660 K CB -0.282 32.245 32.500 0.045 0.000 0.713 660 K HN 0.306 nan 8.250 nan 0.000 0.442 661 H N 0.203 119.192 119.070 -0.136 0.000 2.321 661 H HA -0.116 3.929 4.556 -0.852 0.000 0.300 661 H C 2.042 177.235 175.328 -0.226 0.000 1.087 661 H CA 2.396 58.348 56.048 -0.160 0.000 1.319 661 H CB -0.159 29.506 29.762 -0.161 0.000 1.379 661 H HN 0.270 nan 8.280 nan 0.000 0.501 662 M N 0.281 119.568 119.600 -0.523 0.000 2.065 662 M HA -0.190 3.779 4.480 -0.853 0.000 0.259 662 M C 1.906 178.156 176.300 -0.083 0.000 1.069 662 M CA 2.288 57.337 55.300 -0.417 0.000 1.110 662 M CB -0.072 32.270 32.600 -0.429 0.000 1.328 662 M HN 0.445 nan 8.290 nan 0.000 0.405 663 E N 0.310 120.460 120.200 -0.083 0.000 2.085 663 E HA -0.216 3.622 4.350 -0.853 0.000 0.194 663 E C 1.748 178.344 176.600 -0.005 0.000 0.994 663 E CA 1.408 57.796 56.400 -0.020 0.000 0.801 663 E CB -0.348 29.322 29.700 -0.050 0.000 0.743 663 E HN 0.590 nan 8.360 nan 0.000 0.453 664 N N 0.958 119.620 118.700 -0.065 0.000 2.043 664 N HA -0.169 4.059 4.740 -0.853 0.000 0.193 664 N C 1.689 177.148 175.510 -0.085 0.000 1.037 664 N CA 1.027 54.043 53.050 -0.058 0.000 0.851 664 N CB -0.195 38.262 38.487 -0.050 0.000 1.027 664 N HN 0.191 nan 8.380 nan 0.000 0.422 665 E N 0.112 120.186 120.200 -0.209 0.000 2.077 665 E HA -0.157 3.681 4.350 -0.853 0.000 0.193 665 E C 2.013 178.510 176.600 -0.171 0.000 0.989 665 E CA 0.786 57.035 56.400 -0.252 0.000 0.800 665 E CB -0.483 28.942 29.700 -0.458 0.000 0.746 665 E HN 0.502 nan 8.360 nan 0.000 0.452 666 Y N 1.676 121.891 120.300 -0.142 0.000 2.128 666 Y HA -0.234 3.804 4.550 -0.853 0.000 0.284 666 Y C 2.657 178.524 175.900 -0.056 0.000 1.154 666 Y CA 2.201 60.254 58.100 -0.079 0.000 1.149 666 Y CB -0.170 38.251 38.460 -0.063 0.000 0.976 666 Y HN 0.102 nan 8.280 nan 0.000 0.505 667 R N -1.681 118.876 120.500 0.095 0.000 2.075 667 R HA -0.106 3.722 4.340 -0.853 0.000 0.232 667 R C 2.075 178.381 176.300 0.009 0.000 1.126 667 R CA 1.677 57.804 56.100 0.046 0.000 0.963 667 R CB -1.259 29.060 30.300 0.032 0.000 0.858 667 R HN 0.281 nan 8.270 nan 0.000 0.435 668 C N -0.102 119.190 119.300 -0.012 0.000 2.504 668 C HA 0.233 4.181 4.460 -0.853 0.000 0.279 668 C C 2.411 177.378 174.990 -0.038 0.000 1.358 668 C CA -0.013 58.995 59.018 -0.016 0.000 1.747 668 C CB -0.493 27.247 27.740 0.000 0.000 2.037 668 C HN 0.481 nan 8.230 nan 0.000 0.503 669 R N -0.266 120.187 120.500 -0.078 0.000 2.373 669 R HA 0.236 4.064 4.340 -0.853 0.000 0.221 669 R C 1.441 177.663 176.300 -0.131 0.000 0.893 669 R CA 0.855 56.892 56.100 -0.104 0.000 1.049 669 R CB 0.352 30.565 30.300 -0.144 0.000 1.119 669 R HN 0.493 nan 8.270 nan 0.000 0.535 670 G N -0.261 108.457 108.800 -0.137 0.000 2.157 670 G HA2 -0.184 3.264 3.960 -0.853 0.000 0.248 670 G HA3 -0.184 3.264 3.960 -0.853 0.000 0.248 670 G C 0.131 174.855 174.900 -0.293 0.000 0.979 670 G CA 0.037 45.047 45.100 -0.149 0.000 0.650 670 G HN 0.771 nan 8.290 nan 0.000 0.529 671 G N -2.411 106.078 108.800 -0.518 0.000 2.321 671 G HA2 0.540 3.988 3.960 -0.853 0.000 0.298 671 G HA3 0.540 3.988 3.960 -0.853 0.000 0.298 671 G C -0.962 173.549 174.900 -0.648 0.000 1.385 671 G CA 0.347 44.920 45.100 -0.879 0.000 0.856 671 G HN 1.777 nan 8.290 nan 0.000 0.584 672 C N 2.325 121.297 119.300 -0.546 0.000 3.102 672 C HA 0.624 4.572 4.460 -0.853 0.000 0.363 672 C C -2.509 172.366 174.990 -0.193 0.000 1.048 672 C CA -1.257 57.584 59.018 -0.295 0.000 1.330 672 C CB 0.592 28.180 27.740 -0.253 0.000 1.771 672 C HN 0.650 nan 8.230 nan 0.000 0.526 673 P HA 0.360 nan 4.420 nan 0.000 0.263 673 P C -0.514 176.673 177.300 -0.188 0.000 1.195 673 P CA 0.758 63.482 63.100 -0.626 0.000 0.762 673 P CB 0.918 32.039 31.700 -0.965 0.000 0.799 674 A N 2.658 125.439 122.820 -0.065 0.000 2.455 674 A HA 0.427 4.236 4.320 -0.853 0.000 0.300 674 A C -1.045 176.587 177.584 0.081 0.000 1.040 674 A CA -0.545 51.541 52.037 0.083 0.000 0.697 674 A CB 1.366 20.547 19.000 0.301 0.000 1.265 674 A HN 0.438 nan 8.150 nan 0.000 0.407 675 D N 1.955 122.391 120.400 0.060 0.000 2.473 675 D HA 0.130 4.258 4.640 -0.853 0.000 0.226 675 D C 0.788 177.224 176.300 0.226 0.000 1.089 675 D CA -0.567 53.502 54.000 0.114 0.000 0.883 675 D CB 0.242 41.044 40.800 0.004 0.000 1.029 675 D HN 0.594 nan 8.370 nan 0.000 0.517 676 W N 3.860 125.197 121.300 0.062 0.000 2.304 676 W HA -0.299 3.850 4.660 -0.853 0.000 0.315 676 W C 1.686 178.246 176.519 0.069 0.000 1.233 676 W CA 1.391 58.763 57.345 0.044 0.000 1.261 676 W CB -0.017 29.445 29.460 0.004 0.000 1.150 676 W HN 0.293 nan 8.180 nan 0.000 0.494 677 V N -0.387 119.854 119.914 0.544 0.000 2.380 677 V HA -0.331 3.278 4.120 -0.853 0.000 0.251 677 V C 1.531 177.758 176.094 0.222 0.000 1.063 677 V CA 2.228 64.783 62.300 0.425 0.000 1.055 677 V CB -0.929 31.147 31.823 0.422 0.000 0.657 677 V HN 0.337 nan 8.190 nan 0.000 0.455 678 W N -1.717 119.579 121.300 -0.007 0.000 2.762 678 W HA 0.275 4.422 4.660 -0.854 0.000 0.265 678 W C 2.166 178.588 176.519 -0.163 0.000 1.263 678 W CA -0.197 57.110 57.345 -0.063 0.000 1.411 678 W CB -0.155 29.290 29.460 -0.026 0.000 1.065 678 W HN 0.077 nan 8.180 nan 0.000 0.609 679 I N -0.117 120.441 120.570 -0.019 0.000 2.406 679 I HA -0.072 3.586 4.170 -0.853 0.000 0.249 679 I C 0.574 176.507 176.117 -0.306 0.000 1.122 679 I CA 0.822 61.982 61.300 -0.233 0.000 1.431 679 I CB -1.276 36.517 38.000 -0.344 0.000 1.087 679 I HN -0.414 nan 8.210 nan 0.000 0.424 680 V N 4.101 123.736 119.914 -0.465 0.000 2.479 680 V HA 0.065 3.674 4.120 -0.853 0.000 0.281 680 V C -1.908 174.010 176.094 -0.293 0.000 1.031 680 V CA -0.993 61.005 62.300 -0.503 0.000 1.038 680 V CB 0.113 31.339 31.823 -0.996 0.000 0.981 680 V HN 0.114 nan 8.190 nan 0.000 0.478 681 P HA 0.122 nan 4.420 nan 0.000 0.268 681 P C -1.889 175.295 177.300 -0.194 0.000 1.208 681 P CA -1.108 61.884 63.100 -0.179 0.000 0.777 681 P CB 0.040 31.651 31.700 -0.149 0.000 0.875 682 P HA 0.015 nan 4.420 nan 0.000 0.245 682 P C -0.056 177.138 177.300 -0.177 0.000 1.212 682 P CA 1.034 64.024 63.100 -0.184 0.000 0.774 682 P CB -0.013 31.571 31.700 -0.194 0.000 0.999 683 M N -5.048 114.413 119.600 -0.232 0.000 2.593 683 M HA 0.536 4.504 4.480 -0.853 0.000 0.290 683 M C -0.186 176.019 176.300 -0.158 0.000 1.244 683 M CA -0.713 54.470 55.300 -0.194 0.000 0.857 683 M CB 1.819 34.285 32.600 -0.224 0.000 1.738 683 M HN -0.389 nan 8.290 nan 0.000 0.461 684 S N 0.240 115.900 115.700 -0.066 0.000 3.477 684 S HA -0.182 3.776 4.470 -0.853 0.000 0.357 684 S C 1.084 175.682 174.600 -0.004 0.000 1.083 684 S CA 0.887 59.090 58.200 0.005 0.000 1.042 684 S CB -1.867 61.413 63.200 0.132 0.000 0.911 684 S HN 1.158 nan 8.310 nan 0.000 0.490 685 G N 1.444 110.222 108.800 -0.037 0.000 2.476 685 G HA2 -0.271 3.177 3.960 -0.853 0.000 0.218 685 G HA3 -0.271 3.177 3.960 -0.853 0.000 0.218 685 G C 1.410 176.287 174.900 -0.039 0.000 1.164 685 G CA 1.382 46.492 45.100 0.017 0.000 0.768 685 G HN 0.775 nan 8.290 nan 0.000 0.560 686 S N 0.636 116.069 115.700 -0.446 0.000 2.419 686 S HA -0.063 3.895 4.470 -0.853 0.000 0.233 686 S C 2.208 176.739 174.600 -0.115 0.000 1.016 686 S CA 1.185 58.888 58.200 -0.829 0.000 0.974 686 S CB -0.359 62.287 63.200 -0.924 0.000 0.786 686 S HN 0.598 nan 8.310 nan 0.000 0.492 687 I N 0.893 121.463 120.570 0.000 0.000 3.812 687 I HA 0.277 3.935 4.170 -0.853 0.000 0.320 687 I C 0.351 176.585 176.117 0.195 0.000 1.276 687 I CA -0.225 61.143 61.300 0.113 0.000 1.164 687 I CB -0.439 37.628 38.000 0.111 0.000 1.009 687 I HN 0.188 nan 8.210 nan 0.000 0.431 688 T N -1.611 113.058 114.554 0.191 0.000 2.895 688 T HA 0.474 4.312 4.350 -0.853 0.000 0.283 688 T C -1.678 173.165 174.700 0.237 0.000 1.014 688 T CA -1.912 60.307 62.100 0.199 0.000 1.037 688 T CB 1.638 70.578 68.868 0.120 0.000 1.006 688 T HN -0.050 nan 8.240 nan 0.000 0.468 689 P HA 0.022 nan 4.420 nan 0.000 0.237 689 P C 1.480 178.937 177.300 0.262 0.000 1.178 689 P CA 0.303 63.544 63.100 0.236 0.000 0.766 689 P CB -0.242 31.564 31.700 0.177 0.000 0.876 690 V N -5.255 114.792 119.914 0.222 0.000 3.052 690 V HA -0.019 3.589 4.120 -0.853 0.000 0.254 690 V C 2.237 178.423 176.094 0.155 0.000 1.100 690 V CA 0.358 62.765 62.300 0.178 0.000 1.112 690 V CB -1.892 29.971 31.823 0.066 0.000 0.738 690 V HN -0.130 nan 8.190 nan 0.000 0.469 691 F N 2.404 122.373 119.950 0.032 0.000 2.126 691 F HA -0.163 3.852 4.527 -0.853 0.000 0.299 691 F C 2.195 178.129 175.800 0.223 0.000 1.096 691 F CA 2.437 60.449 58.000 0.019 0.000 1.255 691 F CB -0.203 38.731 39.000 -0.110 0.000 0.997 691 F HN 0.291 nan 8.300 nan 0.000 0.479 692 H N -1.568 117.836 119.070 0.556 0.000 2.539 692 H HA 0.140 4.184 4.556 -0.853 0.000 0.269 692 H C 0.187 175.769 175.328 0.424 0.000 0.980 692 H CA 0.036 56.384 56.048 0.499 0.000 1.152 692 H CB -0.153 29.891 29.762 0.470 0.000 1.407 692 H HN 0.110 nan 8.280 nan 0.000 0.564 693 Q N 2.101 122.169 119.800 0.448 0.000 2.337 693 Q HA 0.100 3.928 4.340 -0.853 0.000 0.255 693 Q C -0.620 175.604 176.000 0.373 0.000 0.997 693 Q CA -0.260 55.748 55.803 0.341 0.000 0.925 693 Q CB 0.319 29.228 28.738 0.286 0.000 1.212 693 Q HN 0.371 nan 8.270 nan 0.000 0.436 694 E N 3.513 123.886 120.200 0.289 0.000 2.414 694 E HA 0.144 3.982 4.350 -0.853 0.000 0.263 694 E C -0.469 176.272 176.600 0.234 0.000 1.000 694 E CA 0.460 57.001 56.400 0.236 0.000 0.914 694 E CB 0.687 30.504 29.700 0.196 0.000 0.948 694 E HN 0.594 nan 8.360 nan 0.000 0.444 695 M N 2.488 122.237 119.600 0.248 0.000 2.591 695 M HA 0.432 4.400 4.480 -0.853 0.000 0.306 695 M C -1.006 175.415 176.300 0.201 0.000 1.190 695 M CA -0.703 54.755 55.300 0.263 0.000 0.889 695 M CB 1.693 34.489 32.600 0.326 0.000 1.728 695 M HN 0.241 nan 8.290 nan 0.000 0.458 696 L N 1.507 122.855 121.223 0.207 0.000 2.341 696 L HA 0.529 4.358 4.340 -0.853 0.000 0.278 696 L C -0.602 176.343 176.870 0.125 0.000 1.005 696 L CA -0.462 54.500 54.840 0.204 0.000 0.818 696 L CB 1.737 43.977 42.059 0.301 0.000 1.259 696 L HN 0.699 nan 8.230 nan 0.000 0.418 697 N N 2.788 121.563 118.700 0.124 0.000 2.407 697 N HA 0.542 4.770 4.740 -0.853 0.000 0.277 697 N C -1.779 173.798 175.510 0.111 0.000 0.995 697 N CA -0.388 52.666 53.050 0.007 0.000 0.903 697 N CB 1.421 39.929 38.487 0.035 0.000 1.218 697 N HN 0.502 nan 8.380 nan 0.000 0.487 698 Y N 0.281 120.596 120.300 0.025 0.000 2.638 698 Y HA 0.501 4.540 4.550 -0.853 0.000 0.335 698 Y C -1.233 174.666 175.900 -0.002 0.000 1.155 698 Y CA -1.345 56.766 58.100 0.018 0.000 1.046 698 Y CB 0.781 39.263 38.460 0.036 0.000 1.303 698 Y HN 0.176 nan 8.280 nan 0.000 0.460 699 R N 2.744 123.351 120.500 0.180 0.000 2.229 699 R HA 0.571 4.399 4.340 -0.853 0.000 0.332 699 R C -1.257 175.107 176.300 0.106 0.000 0.989 699 R CA -0.576 55.567 56.100 0.072 0.000 0.842 699 R CB 1.245 31.567 30.300 0.037 0.000 1.119 699 R HN 0.710 nan 8.270 nan 0.000 0.456 700 L N 1.138 122.396 121.223 0.058 0.000 2.334 700 L HA 0.488 4.316 4.340 -0.853 0.000 0.272 700 L C 0.624 177.493 176.870 -0.001 0.000 1.020 700 L CA -0.691 54.179 54.840 0.051 0.000 0.812 700 L CB 1.964 44.050 42.059 0.046 0.000 1.264 700 L HN 0.453 nan 8.230 nan 0.000 0.439 701 T N 1.406 115.968 114.554 0.012 0.000 2.912 701 T HA 0.501 4.339 4.350 -0.853 0.000 0.288 701 T C -2.550 172.175 174.700 0.042 0.000 1.030 701 T CA -1.727 60.372 62.100 -0.001 0.000 1.020 701 T CB 1.859 70.734 68.868 0.012 0.000 1.056 701 T HN 0.233 nan 8.240 nan 0.000 0.480 702 P HA 0.215 nan 4.420 nan 0.000 0.268 702 P C -1.180 176.004 177.300 -0.194 0.000 1.208 702 P CA -0.052 62.987 63.100 -0.102 0.000 0.777 702 P CB 0.468 32.094 31.700 -0.124 0.000 0.875 703 S N 0.599 116.133 115.700 -0.275 0.000 2.579 703 S HA 0.666 4.624 4.470 -0.853 0.000 0.272 703 S C -1.226 173.106 174.600 -0.446 0.000 1.141 703 S CA -0.841 57.178 58.200 -0.302 0.000 0.843 703 S CB 0.810 63.923 63.200 -0.145 0.000 1.122 703 S HN 0.121 nan 8.310 nan 0.000 0.468 704 F N 1.237 121.105 119.950 -0.138 0.000 2.408 704 F HA 0.629 4.644 4.527 -0.854 0.000 0.344 704 F C 0.855 176.543 175.800 -0.186 0.000 1.112 704 F CA -0.345 57.572 58.000 -0.139 0.000 1.096 704 F CB 1.264 40.157 39.000 -0.179 0.000 1.129 704 F HN 0.470 nan 8.300 nan 0.000 0.486 705 E N 1.994 122.212 120.200 0.030 0.000 2.312 705 E HA 0.288 4.126 4.350 -0.853 0.000 0.267 705 E C -1.141 175.391 176.600 -0.112 0.000 0.894 705 E CA -0.937 55.409 56.400 -0.089 0.000 0.773 705 E CB 1.887 31.578 29.700 -0.016 0.000 1.241 705 E HN 0.467 nan 8.360 nan 0.000 0.432 706 Y N 0.960 121.279 120.300 0.033 0.000 2.330 706 Y HA 0.120 4.157 4.550 -0.854 0.000 0.341 706 Y C 1.184 177.081 175.900 -0.005 0.000 1.278 706 Y CA 0.117 58.224 58.100 0.012 0.000 1.453 706 Y CB 0.814 39.271 38.460 -0.004 0.000 1.342 706 Y HN 0.304 nan 8.280 nan 0.000 0.590 707 Q N 1.307 121.204 119.800 0.162 0.000 2.462 707 Q HA 0.552 4.380 4.340 -0.853 0.000 0.285 707 Q C -3.111 172.861 176.000 -0.046 0.000 1.035 707 Q CA -2.293 53.532 55.803 0.038 0.000 0.799 707 Q CB 2.086 30.831 28.738 0.011 0.000 1.452 707 Q HN 0.308 nan 8.270 nan 0.000 0.404 708 P HA 0.163 nan 4.420 nan 0.000 0.274 708 P C -0.822 176.261 177.300 -0.362 0.000 1.231 708 P CA -0.182 62.798 63.100 -0.201 0.000 0.790 708 P CB 0.502 32.097 31.700 -0.175 0.000 0.951 709 D N 2.977 123.047 120.400 -0.550 0.000 2.488 709 D HA -0.007 4.121 4.640 -0.853 0.000 0.238 709 D C -1.101 174.548 176.300 -1.085 0.000 1.138 709 D CA -0.910 52.472 54.000 -1.029 0.000 0.873 709 D CB 0.420 40.234 40.800 -1.642 0.000 1.183 709 D HN 0.270 nan 8.370 nan 0.000 0.458 710 P HA -0.130 nan 4.420 nan 0.000 0.218 710 P C 1.452 178.256 177.300 -0.827 0.000 1.149 710 P CA 1.060 63.576 63.100 -0.974 0.000 0.817 710 P CB -0.120 30.697 31.700 -1.472 0.000 0.785 711 W N 0.735 121.587 121.300 -0.746 0.000 2.392 711 W HA 0.004 4.149 4.660 -0.858 0.000 0.279 711 W C 1.282 177.799 176.519 -0.004 0.000 1.225 711 W CA 0.562 57.769 57.345 -0.230 0.000 1.233 711 W CB -2.303 27.180 29.460 0.038 0.000 1.122 711 W HN -0.167 nan 8.180 nan 0.000 0.561 712 N N 0.242 118.830 118.700 -0.187 0.000 2.512 712 N HA -0.035 4.194 4.740 -0.853 0.000 0.183 712 N C 0.998 176.483 175.510 -0.042 0.000 1.073 712 N CA 1.736 54.750 53.050 -0.060 0.000 0.911 712 N CB -0.093 38.288 38.487 -0.176 0.000 0.964 712 N HN 0.338 nan 8.380 nan 0.000 0.447 713 T N -1.819 112.688 114.554 -0.079 0.000 3.232 713 T HA -0.000 3.838 4.350 -0.853 0.000 0.259 713 T C 0.253 174.947 174.700 -0.011 0.000 0.987 713 T CA -0.315 61.750 62.100 -0.058 0.000 1.096 713 T CB 0.027 68.827 68.868 -0.113 0.000 1.131 713 T HN 0.172 nan 8.240 nan 0.000 0.445 714 H N 3.346 122.348 119.070 -0.114 0.000 3.115 714 H HA 0.243 4.290 4.556 -0.848 0.000 0.324 714 H C -0.337 174.918 175.328 -0.121 0.000 1.007 714 H CA -0.036 55.936 56.048 -0.126 0.000 1.385 714 H CB 0.283 29.975 29.762 -0.118 0.000 1.351 714 H HN 0.086 nan 8.280 nan 0.000 0.592 715 V N 3.803 123.282 119.914 -0.725 0.000 2.370 715 V HA 0.264 3.873 4.120 -0.853 0.000 0.279 715 V C 0.051 175.728 176.094 -0.696 0.000 1.029 715 V CA -1.179 60.837 62.300 -0.474 0.000 0.870 715 V CB 0.258 31.948 31.823 -0.221 0.000 0.984 715 V HN 0.675 nan 8.190 nan 0.000 0.451 716 W N 0.000 121.175 121.300 -0.208 0.000 2.388 716 W HA 0.000 4.142 4.660 -0.864 0.000 0.303 716 W CA 0.000 57.313 57.345 -0.052 0.000 1.226 716 W CB 0.000 29.495 29.460 0.059 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535