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 1om5_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 0.000 176.517 176.300 0.361 0.000 0.893 299 R CA 0.000 56.221 56.100 0.202 0.000 0.921 299 R CB 0.000 30.407 30.300 0.178 0.000 0.687 300 F N 1.687 121.709 119.950 0.120 0.000 2.745 300 F HA 0.582 3.689 4.527 -2.367 0.000 0.343 300 F C -1.295 174.562 175.800 0.095 0.000 1.196 300 F CA -0.593 57.480 58.000 0.122 0.000 1.021 300 F CB 1.947 40.981 39.000 0.057 0.000 1.297 300 F HN 0.191 nan 8.300 nan 0.000 0.486 301 L N 4.589 125.862 121.223 0.084 0.000 2.334 301 L HA 0.590 3.509 4.340 -2.367 0.000 0.276 301 L C -0.492 176.383 176.870 0.008 0.000 1.014 301 L CA -0.866 53.970 54.840 -0.007 0.000 0.815 301 L CB 2.056 43.989 42.059 -0.211 0.000 1.268 301 L HN 0.431 nan 8.230 nan 0.000 0.428 302 K N 1.514 121.927 120.400 0.022 0.000 2.208 302 K HA 0.730 3.629 4.320 -2.367 0.000 0.247 302 K C -1.396 175.194 176.600 -0.017 0.000 0.953 302 K CA -0.806 55.487 56.287 0.009 0.000 0.837 302 K CB 2.839 35.346 32.500 0.012 0.000 1.131 302 K HN 0.190 nan 8.250 nan 0.000 0.431 303 V N 2.577 122.451 119.914 -0.067 0.000 2.483 303 V HA 0.279 2.979 4.120 -2.367 0.000 0.297 303 V C -0.698 175.310 176.094 -0.143 0.000 1.027 303 V CA -0.782 61.473 62.300 -0.076 0.000 0.855 303 V CB 1.727 33.504 31.823 -0.075 0.000 0.995 303 V HN 0.653 nan 8.190 nan 0.000 0.424 304 K N 4.397 124.715 120.400 -0.137 0.000 2.164 304 K HA 0.435 3.334 4.320 -2.367 0.000 0.258 304 K C -0.539 175.922 176.600 -0.231 0.000 0.951 304 K CA -0.666 55.453 56.287 -0.280 0.000 0.844 304 K CB 1.359 33.534 32.500 -0.541 0.000 1.099 304 K HN 0.679 nan 8.250 nan 0.000 0.435 305 N N 3.921 122.499 118.700 -0.203 0.000 2.425 305 N HA 0.106 3.426 4.740 -2.367 0.000 0.268 305 N C -0.513 174.955 175.510 -0.070 0.000 0.991 305 N CA -0.378 52.667 53.050 -0.008 0.000 0.931 305 N CB 0.528 39.032 38.487 0.028 0.000 1.130 305 N HN 0.657 nan 8.380 nan 0.000 0.493 306 W N 1.979 123.355 121.300 0.127 0.000 3.345 306 W HA 0.228 3.468 4.660 -2.368 0.000 0.282 306 W C 1.808 178.379 176.519 0.087 0.000 1.302 306 W CA -0.336 57.077 57.345 0.113 0.000 1.724 306 W CB 0.376 29.922 29.460 0.144 0.000 1.104 306 W HN 0.639 nan 8.180 nan 0.000 0.694 307 E N -0.294 120.028 120.200 0.204 0.000 2.372 307 E HA -0.066 2.863 4.350 -2.367 0.000 0.201 307 E C 1.698 178.304 176.600 0.009 0.000 0.938 307 E CA 1.488 57.895 56.400 0.011 0.000 0.944 307 E CB 0.361 29.955 29.700 -0.176 0.000 0.937 307 E HN 0.219 nan 8.360 nan 0.000 0.495 308 T N -2.978 111.586 114.554 0.016 0.000 3.003 308 T HA 0.137 3.066 4.350 -2.367 0.000 0.261 308 T C 0.526 175.199 174.700 -0.045 0.000 1.003 308 T CA 0.255 62.347 62.100 -0.012 0.000 0.917 308 T CB 0.466 69.329 68.868 -0.009 0.000 1.084 308 T HN -0.005 nan 8.240 nan 0.000 0.522 309 D N 0.293 120.646 120.400 -0.079 0.000 2.978 309 D HA -0.137 3.082 4.640 -2.367 0.000 0.205 309 D C 0.069 176.266 176.300 -0.171 0.000 1.093 309 D CA 0.666 54.570 54.000 -0.160 0.000 1.006 309 D CB -1.625 39.108 40.800 -0.113 0.000 1.116 309 D HN 0.446 nan 8.370 nan 0.000 0.419 310 V N 1.216 121.055 119.914 -0.125 0.000 2.694 310 V HA 0.073 2.773 4.120 -2.367 0.000 0.306 310 V C 0.915 176.909 176.094 -0.167 0.000 1.054 310 V CA 0.255 62.481 62.300 -0.122 0.000 1.161 310 V CB 1.522 33.288 31.823 -0.096 0.000 0.916 310 V HN -0.037 nan 8.190 nan 0.000 0.490 311 V N 6.797 126.616 119.914 -0.157 0.000 2.487 311 V HA 0.498 3.198 4.120 -2.367 0.000 0.298 311 V C -0.112 175.882 176.094 -0.167 0.000 1.028 311 V CA -0.461 61.737 62.300 -0.170 0.000 0.860 311 V CB 1.528 33.267 31.823 -0.141 0.000 0.991 311 V HN 0.631 nan 8.190 nan 0.000 0.427 312 L N 3.351 124.424 121.223 -0.251 0.000 2.322 312 L HA 0.731 3.651 4.340 -2.367 0.000 0.269 312 L C 0.098 176.876 176.870 -0.155 0.000 1.012 312 L CA -0.476 54.180 54.840 -0.307 0.000 0.815 312 L CB 2.292 43.844 42.059 -0.844 0.000 1.295 312 L HN 0.529 nan 8.230 nan 0.000 0.438 313 T N -0.401 114.170 114.554 0.029 0.000 2.797 313 T HA 0.235 3.164 4.350 -2.367 0.000 0.279 313 T C -0.874 173.935 174.700 0.181 0.000 0.991 313 T CA -0.496 61.652 62.100 0.081 0.000 0.979 313 T CB 1.551 70.460 68.868 0.068 0.000 0.943 313 T HN 0.419 nan 8.240 nan 0.000 0.444 314 D N 2.145 122.612 120.400 0.113 0.000 2.280 314 D HA 0.271 3.491 4.640 -2.367 0.000 0.236 314 D C 0.694 176.931 176.300 -0.105 0.000 1.082 314 D CA -0.310 53.730 54.000 0.067 0.000 0.834 314 D CB 1.544 42.432 40.800 0.146 0.000 1.100 314 D HN 0.672 nan 8.370 nan 0.000 0.486 315 T N 0.726 115.146 114.554 -0.223 0.000 3.004 315 T HA 0.088 3.017 4.350 -2.367 0.000 0.266 315 T C 1.907 176.424 174.700 -0.305 0.000 0.986 315 T CA -0.244 61.632 62.100 -0.375 0.000 0.902 315 T CB 0.076 68.669 68.868 -0.459 0.000 1.118 315 T HN 0.301 nan 8.240 nan 0.000 0.522 316 L N 2.003 123.104 121.223 -0.203 0.000 2.109 316 L HA -0.026 2.894 4.340 -2.367 0.000 0.207 316 L C 2.998 179.647 176.870 -0.367 0.000 1.086 316 L CA 1.424 56.141 54.840 -0.204 0.000 0.760 316 L CB -0.360 41.643 42.059 -0.093 0.000 0.910 316 L HN 0.505 nan 8.230 nan 0.000 0.437 317 H N -0.531 118.107 119.070 -0.720 0.000 2.489 317 H HA -0.192 2.944 4.556 -2.367 0.000 0.295 317 H C 1.993 176.999 175.328 -0.536 0.000 1.082 317 H CA 1.240 56.588 56.048 -1.166 0.000 1.295 317 H CB -0.900 28.186 29.762 -1.128 0.000 1.380 317 H HN 0.385 nan 8.280 nan 0.000 0.548 318 L N 0.748 121.432 121.223 -0.897 0.000 2.127 318 L HA -0.150 2.769 4.340 -2.367 0.000 0.211 318 L C 1.811 178.504 176.870 -0.296 0.000 1.089 318 L CA 1.501 56.001 54.840 -0.567 0.000 0.757 318 L CB -0.353 41.428 42.059 -0.464 0.000 0.899 318 L HN 0.206 nan 8.230 nan 0.000 0.434 319 K N -0.057 120.192 120.400 -0.253 0.000 2.627 319 K HA 0.089 2.989 4.320 -2.367 0.000 0.212 319 K C 0.588 177.138 176.600 -0.083 0.000 1.041 319 K CA -0.131 56.075 56.287 -0.134 0.000 1.205 319 K CB 0.173 32.613 32.500 -0.101 0.000 0.936 319 K HN 0.042 nan 8.250 nan 0.000 0.489 320 S N 1.109 116.746 115.700 -0.105 0.000 2.528 320 S HA 0.087 3.136 4.470 -2.367 0.000 0.277 320 S C 0.993 175.593 174.600 -0.001 0.000 1.297 320 S CA -0.468 57.721 58.200 -0.017 0.000 1.052 320 S CB 0.758 63.949 63.200 -0.014 0.000 0.917 320 S HN 0.368 nan 8.310 nan 0.000 0.492 321 T N 4.633 119.200 114.554 0.023 0.000 3.535 321 T HA 0.238 3.168 4.350 -2.367 0.000 0.223 321 T C 0.937 175.648 174.700 0.018 0.000 0.933 321 T CA -0.369 61.739 62.100 0.014 0.000 1.445 321 T CB -0.684 68.191 68.868 0.011 0.000 1.286 321 T HN 0.475 nan 8.240 nan 0.000 0.436 322 L N 2.165 123.398 121.223 0.016 0.000 2.472 322 L HA 0.190 3.109 4.340 -2.367 0.000 0.273 322 L C 0.229 177.114 176.870 0.025 0.000 1.254 322 L CA 0.250 55.097 54.840 0.013 0.000 0.823 322 L CB 0.083 42.142 42.059 0.000 0.000 1.096 322 L HN 0.372 nan 8.230 nan 0.000 0.521 323 E N -0.447 119.767 120.200 0.022 0.000 2.314 323 E HA 0.190 3.119 4.350 -2.367 0.000 0.262 323 E C 0.528 177.147 176.600 0.031 0.000 1.093 323 E CA 0.433 56.852 56.400 0.031 0.000 0.908 323 E CB 0.869 30.585 29.700 0.027 0.000 1.091 323 E HN 0.737 nan 8.360 nan 0.000 0.425 324 T N -1.971 112.608 114.554 0.041 0.000 3.057 324 T HA 0.228 3.158 4.350 -2.367 0.000 0.254 324 T C 1.366 176.088 174.700 0.036 0.000 1.094 324 T CA 0.305 62.428 62.100 0.039 0.000 1.088 324 T CB 0.218 69.119 68.868 0.055 0.000 0.934 324 T HN 0.780 nan 8.240 nan 0.000 0.497 325 G N 0.325 109.147 108.800 0.037 0.000 2.232 325 G HA2 -0.243 2.297 3.960 -2.367 0.000 0.226 325 G HA3 -0.243 2.297 3.960 -2.367 0.000 0.226 325 G C 0.370 175.295 174.900 0.042 0.000 0.996 325 G CA -0.207 44.916 45.100 0.038 0.000 0.626 325 G HN 0.719 nan 8.290 nan 0.000 0.509 326 C N 0.977 120.304 119.300 0.045 0.000 2.411 326 C HA 0.940 3.980 4.460 -2.367 0.000 0.358 326 C C 1.026 176.046 174.990 0.050 0.000 1.349 326 C CA 0.658 59.704 59.018 0.047 0.000 2.326 326 C CB 1.010 28.777 27.740 0.044 0.000 2.166 326 C HN 1.173 nan 8.230 nan 0.000 0.609 327 T N -2.060 112.527 114.554 0.056 0.000 2.787 327 T HA 0.374 3.304 4.350 -2.367 0.000 0.297 327 T C -0.023 174.712 174.700 0.059 0.000 1.221 327 T CA -0.469 61.673 62.100 0.069 0.000 1.006 327 T CB 1.110 70.036 68.868 0.097 0.000 1.328 327 T HN 0.497 nan 8.240 nan 0.000 0.509 328 E N -0.303 119.930 120.200 0.055 0.000 2.274 328 E HA 0.009 2.939 4.350 -2.367 0.000 0.194 328 E C 1.573 178.117 176.600 -0.093 0.000 0.996 328 E CA 1.089 57.476 56.400 -0.021 0.000 0.840 328 E CB -0.254 29.420 29.700 -0.044 0.000 0.772 328 E HN 0.628 nan 8.360 nan 0.000 0.491 329 H N -0.786 118.291 119.070 0.011 0.000 2.525 329 H HA 0.341 3.476 4.556 -2.367 0.000 0.275 329 H C 0.223 175.557 175.328 0.009 0.000 0.984 329 H CA 0.473 56.526 56.048 0.009 0.000 1.264 329 H CB 0.963 30.731 29.762 0.010 0.000 1.432 329 H HN 0.112 nan 8.280 nan 0.000 0.549 330 I N 0.312 120.946 120.570 0.107 0.000 2.710 330 I HA 0.110 2.860 4.170 -2.367 0.000 0.290 330 I C -1.176 174.968 176.117 0.046 0.000 1.318 330 I CA -0.601 60.740 61.300 0.067 0.000 1.045 330 I CB 2.107 40.150 38.000 0.072 0.000 1.307 330 I HN -0.021 nan 8.210 nan 0.000 0.424 331 C N 7.781 127.099 119.300 0.030 0.000 2.369 331 C HA 0.513 3.553 4.460 -2.367 0.000 0.358 331 C C 0.926 175.936 174.990 0.035 0.000 1.274 331 C CA -0.463 58.571 59.018 0.027 0.000 1.935 331 C CB 0.495 28.241 27.740 0.010 0.000 2.431 331 C HN 0.821 nan 8.230 nan 0.000 0.545 332 M N 4.987 124.612 119.600 0.043 0.000 2.576 332 M HA 0.178 3.238 4.480 -2.367 0.000 0.322 332 M C 1.859 178.197 176.300 0.064 0.000 1.184 332 M CA 0.169 55.500 55.300 0.052 0.000 0.967 332 M CB -0.276 32.355 32.600 0.052 0.000 1.372 332 M HN 1.040 nan 8.290 nan 0.000 0.509 333 G N 1.850 110.686 108.800 0.060 0.000 2.624 333 G HA2 -0.315 2.224 3.960 -2.367 0.000 0.221 333 G HA3 -0.315 2.224 3.960 -2.367 0.000 0.221 333 G C 1.469 176.440 174.900 0.118 0.000 1.169 333 G CA 1.853 47.001 45.100 0.080 0.000 0.771 333 G HN 0.587 nan 8.290 nan 0.000 0.598 334 S N -0.073 115.693 115.700 0.109 0.000 2.650 334 S HA 0.275 3.324 4.470 -2.367 0.000 0.219 334 S C 0.808 175.491 174.600 0.140 0.000 0.960 334 S CA -0.465 57.816 58.200 0.136 0.000 0.925 334 S CB -0.142 63.118 63.200 0.101 0.000 0.775 334 S HN 0.125 nan 8.310 nan 0.000 0.525 335 I N 2.182 122.826 120.570 0.123 0.000 2.396 335 I HA 0.232 2.982 4.170 -2.367 0.000 0.289 335 I C 1.448 177.660 176.117 0.159 0.000 1.056 335 I CA -0.165 61.205 61.300 0.117 0.000 1.365 335 I CB 0.433 38.485 38.000 0.087 0.000 1.407 335 I HN 0.309 nan 8.210 nan 0.000 0.509 336 M N 6.462 126.169 119.600 0.179 0.000 2.267 336 M HA -0.128 2.931 4.480 -2.367 0.000 0.263 336 M C -0.389 176.045 176.300 0.223 0.000 1.063 336 M CA 1.777 57.222 55.300 0.243 0.000 1.090 336 M CB 0.112 32.832 32.600 0.201 0.000 1.392 336 M HN 0.542 nan 8.290 nan 0.000 0.422 337 L N -2.312 119.006 121.223 0.158 0.000 2.727 337 L HA 0.534 3.454 4.340 -2.367 0.000 0.255 337 L C -2.638 174.294 176.870 0.104 0.000 0.983 337 L CA -1.647 53.294 54.840 0.168 0.000 0.945 337 L CB -1.306 40.862 42.059 0.181 0.000 1.242 337 L HN -0.180 nan 8.230 nan 0.000 0.449 351 K N 0.692 121.125 120.400 0.056 0.000 2.089 351 K HA -0.176 2.723 4.320 -2.367 0.000 0.210 351 K C 1.245 177.899 176.600 0.090 0.000 1.048 351 K CA 1.879 58.208 56.287 0.070 0.000 0.926 351 K CB -0.031 32.495 32.500 0.042 0.000 0.714 351 K HN 0.510 nan 8.250 nan 0.000 0.448 352 D N 0.664 121.106 120.400 0.069 0.000 2.178 352 D HA -0.125 3.094 4.640 -2.367 0.000 0.202 352 D C 2.024 178.374 176.300 0.083 0.000 0.974 352 D CA 1.163 55.209 54.000 0.076 0.000 0.841 352 D CB 0.038 40.868 40.800 0.050 0.000 0.953 352 D HN 0.379 nan 8.370 nan 0.000 0.478 353 Q N -0.047 119.793 119.800 0.066 0.000 2.096 353 Q HA -0.037 2.883 4.340 -2.367 0.000 0.197 353 Q C 2.214 178.252 176.000 0.064 0.000 0.964 353 Q CA 0.353 56.188 55.803 0.054 0.000 0.838 353 Q CB 0.009 28.770 28.738 0.039 0.000 0.906 353 Q HN 0.130 nan 8.270 nan 0.000 0.444 354 L N 0.260 121.536 121.223 0.089 0.000 2.056 354 L HA -0.109 2.810 4.340 -2.367 0.000 0.207 354 L C 2.038 178.976 176.870 0.114 0.000 1.078 354 L CA 1.548 56.456 54.840 0.112 0.000 0.749 354 L CB -0.563 41.583 42.059 0.144 0.000 0.901 354 L HN 0.112 nan 8.230 nan 0.000 0.433 355 F N 1.742 121.693 119.950 0.001 0.000 2.134 355 F HA -0.034 3.073 4.527 -2.368 0.000 0.299 355 F C -0.568 175.227 175.800 -0.008 0.000 1.097 355 F CA 1.204 59.184 58.000 -0.033 0.000 1.264 355 F CB -1.711 37.266 39.000 -0.038 0.000 1.001 355 F HN 0.175 nan 8.300 nan 0.000 0.479 356 P HA -0.213 nan 4.420 nan 0.000 0.215 356 P C 2.232 179.415 177.300 -0.195 0.000 1.157 356 P CA 1.796 64.766 63.100 -0.218 0.000 0.868 356 P CB -0.258 31.416 31.700 -0.042 0.000 0.788 357 L N -0.592 120.579 121.223 -0.086 0.000 2.042 357 L HA -0.198 2.721 4.340 -2.367 0.000 0.210 357 L C 2.813 179.684 176.870 0.001 0.000 1.076 357 L CA 1.793 56.621 54.840 -0.020 0.000 0.749 357 L CB -1.172 40.899 42.059 0.020 0.000 0.893 357 L HN -0.032 nan 8.230 nan 0.000 0.432 358 A N 0.005 122.782 122.820 -0.070 0.000 1.873 358 A HA -0.252 2.648 4.320 -2.367 0.000 0.215 358 A C 2.385 179.918 177.584 -0.086 0.000 1.186 358 A CA 1.926 53.944 52.037 -0.033 0.000 0.616 358 A CB -0.471 18.360 19.000 -0.281 0.000 0.823 358 A HN 0.348 nan 8.150 nan 0.000 0.442 359 K N 0.029 120.204 120.400 -0.375 0.000 2.044 359 K HA -0.264 2.636 4.320 -2.367 0.000 0.210 359 K C 2.098 178.665 176.600 -0.054 0.000 1.049 359 K CA 1.951 58.060 56.287 -0.297 0.000 0.927 359 K CB -0.277 31.911 32.500 -0.520 0.000 0.713 359 K HN 0.626 nan 8.250 nan 0.000 0.443 360 E N -0.310 119.872 120.200 -0.030 0.000 2.049 360 E HA -0.256 2.674 4.350 -2.367 0.000 0.198 360 E C 1.951 178.629 176.600 0.130 0.000 1.007 360 E CA 1.589 58.022 56.400 0.055 0.000 0.809 360 E CB -0.314 29.416 29.700 0.050 0.000 0.749 360 E HN 0.401 nan 8.360 nan 0.000 0.450 361 F N 1.456 121.423 119.950 0.028 0.000 2.075 361 F HA -0.151 2.956 4.527 -2.366 0.000 0.297 361 F C 2.073 177.934 175.800 0.101 0.000 1.113 361 F CA 1.536 59.583 58.000 0.078 0.000 1.218 361 F CB -0.537 38.519 39.000 0.093 0.000 0.984 361 F HN 0.017 nan 8.300 nan 0.000 0.472 362 L N 0.018 121.183 121.223 -0.097 0.000 2.079 362 L HA -0.259 2.660 4.340 -2.367 0.000 0.210 362 L C 2.138 178.962 176.870 -0.076 0.000 1.081 362 L CA 1.574 56.336 54.840 -0.130 0.000 0.752 362 L CB -0.930 41.147 42.059 0.029 0.000 0.896 362 L HN 0.121 nan 8.230 nan 0.000 0.433 363 D N -0.264 120.155 120.400 0.032 0.000 2.084 363 D HA -0.196 3.023 4.640 -2.367 0.000 0.194 363 D C 2.357 178.735 176.300 0.130 0.000 0.990 363 D CA 1.196 55.352 54.000 0.259 0.000 0.826 363 D CB -0.168 40.833 40.800 0.335 0.000 0.971 363 D HN 0.378 nan 8.370 nan 0.000 0.453 364 Q N -0.810 118.980 119.800 -0.017 0.000 2.050 364 Q HA -0.206 2.713 4.340 -2.367 0.000 0.202 364 Q C 2.070 177.913 176.000 -0.260 0.000 0.980 364 Q CA 1.178 56.931 55.803 -0.084 0.000 0.840 364 Q CB -0.374 28.373 28.738 0.016 0.000 0.898 364 Q HN 0.372 nan 8.270 nan 0.000 0.424 365 Y N 0.716 120.623 120.300 -0.655 0.000 2.014 365 Y HA -0.360 2.770 4.550 -2.366 0.000 0.272 365 Y C 1.957 177.433 175.900 -0.707 0.000 1.164 365 Y CA 1.803 59.244 58.100 -1.099 0.000 1.114 365 Y CB -0.858 36.861 38.460 -1.236 0.000 0.961 365 Y HN 0.091 nan 8.280 nan 0.000 0.489 366 Y N -0.554 119.368 120.300 -0.630 0.000 2.207 366 Y HA -0.260 2.870 4.550 -2.367 0.000 0.287 366 Y C 3.135 178.891 175.900 -0.241 0.000 1.156 366 Y CA 1.970 59.778 58.100 -0.487 0.000 1.182 366 Y CB -0.940 37.292 38.460 -0.380 0.000 0.979 366 Y HN 0.252 nan 8.280 nan 0.000 0.521 367 S N -0.636 115.067 115.700 0.006 0.000 2.399 367 S HA -0.189 2.861 4.470 -2.367 0.000 0.231 367 S C 2.277 176.790 174.600 -0.145 0.000 1.022 367 S CA 1.361 59.528 58.200 -0.056 0.000 0.983 367 S CB -0.595 62.456 63.200 -0.248 0.000 0.803 367 S HN 0.580 nan 8.310 nan 0.000 0.480 368 S N 1.534 117.080 115.700 -0.256 0.000 2.453 368 S HA 0.037 3.086 4.470 -2.367 0.000 0.231 368 S C 1.620 176.078 174.600 -0.236 0.000 1.005 368 S CA 0.711 58.791 58.200 -0.200 0.000 0.949 368 S CB -0.767 62.330 63.200 -0.171 0.000 0.774 368 S HN 0.804 nan 8.310 nan 0.000 0.510 369 I N -2.324 118.008 120.570 -0.397 0.000 3.904 369 I HA 0.435 3.185 4.170 -2.367 0.000 0.333 369 I C -0.159 175.856 176.117 -0.170 0.000 1.361 369 I CA -0.596 60.502 61.300 -0.337 0.000 1.116 369 I CB -0.496 37.152 38.000 -0.588 0.000 1.028 369 I HN 0.001 nan 8.210 nan 0.000 0.398 370 K N 2.001 122.342 120.400 -0.098 0.000 3.150 370 K HA -0.134 2.766 4.320 -2.367 0.000 0.267 370 K C -0.216 176.403 176.600 0.032 0.000 1.028 370 K CA 0.296 56.574 56.287 -0.014 0.000 0.753 370 K CB -0.879 31.610 32.500 -0.017 0.000 1.288 370 K HN 0.477 nan 8.250 nan 0.000 0.473 371 R N 0.119 120.674 120.500 0.092 0.000 2.582 371 R HA 0.120 3.040 4.340 -2.367 0.000 0.453 371 R C -0.496 175.965 176.300 0.268 0.000 0.969 371 R CA -0.465 55.732 56.100 0.162 0.000 1.113 371 R CB -0.096 30.324 30.300 0.199 0.000 1.507 371 R HN 0.162 nan 8.270 nan 0.000 0.587 372 F N 1.456 121.478 119.950 0.120 0.000 2.578 372 F HA 0.282 3.389 4.527 -2.368 0.000 0.381 372 F C 1.481 177.328 175.800 0.079 0.000 1.069 372 F CA 1.814 59.928 58.000 0.191 0.000 1.231 372 F CB 0.539 39.593 39.000 0.090 0.000 1.086 372 F HN 0.572 nan 8.300 nan 0.000 0.564 373 G N 3.006 111.409 108.800 -0.663 0.000 2.320 373 G HA2 -0.323 2.217 3.960 -2.367 0.000 0.242 373 G HA3 -0.323 2.217 3.960 -2.367 0.000 0.242 373 G C 0.642 175.296 174.900 -0.411 0.000 1.033 373 G CA 0.449 45.097 45.100 -0.753 0.000 0.620 373 G HN 1.302 nan 8.290 nan 0.000 0.517 374 S N 0.291 115.876 115.700 -0.191 0.000 2.639 374 S HA 0.115 3.165 4.470 -2.367 0.000 0.252 374 S C 1.412 175.925 174.600 -0.146 0.000 1.413 374 S CA 1.311 59.445 58.200 -0.109 0.000 0.974 374 S CB 0.668 63.862 63.200 -0.009 0.000 0.899 374 S HN 0.662 nan 8.310 nan 0.000 0.562 375 K N 0.384 120.731 120.400 -0.088 0.000 2.062 375 K HA -0.041 2.858 4.320 -2.367 0.000 0.205 375 K C 2.471 179.029 176.600 -0.071 0.000 1.051 375 K CA 1.062 57.299 56.287 -0.082 0.000 0.941 375 K CB -0.897 31.576 32.500 -0.045 0.000 0.719 375 K HN 0.723 nan 8.250 nan 0.000 0.440 376 A N 1.445 124.250 122.820 -0.025 0.000 1.873 376 A HA -0.264 2.636 4.320 -2.367 0.000 0.218 376 A C 2.104 179.604 177.584 -0.139 0.000 1.193 376 A CA 1.996 54.052 52.037 0.033 0.000 0.629 376 A CB -1.089 18.020 19.000 0.181 0.000 0.826 376 A HN 0.510 nan 8.150 nan 0.000 0.447 377 H N -0.046 118.646 119.070 -0.630 0.000 2.251 377 H HA -0.143 2.993 4.556 -2.367 0.000 0.294 377 H C 2.047 176.998 175.328 -0.628 0.000 1.078 377 H CA 2.379 57.624 56.048 -1.338 0.000 1.246 377 H CB -0.433 28.682 29.762 -1.078 0.000 1.358 377 H HN 0.331 nan 8.280 nan 0.000 0.488 378 M N 0.630 120.090 119.600 -0.234 0.000 2.108 378 M HA -0.155 2.905 4.480 -2.367 0.000 0.261 378 M C 1.973 178.224 176.300 -0.081 0.000 1.066 378 M CA 1.344 56.530 55.300 -0.189 0.000 1.107 378 M CB -0.935 31.532 32.600 -0.222 0.000 1.356 378 M HN 0.277 nan 8.290 nan 0.000 0.406 379 D N 0.002 120.362 120.400 -0.067 0.000 2.087 379 D HA -0.190 3.030 4.640 -2.367 0.000 0.192 379 D C 2.030 178.338 176.300 0.013 0.000 0.993 379 D CA 1.470 55.458 54.000 -0.021 0.000 0.828 379 D CB -0.403 40.394 40.800 -0.005 0.000 0.968 379 D HN 0.159 nan 8.370 nan 0.000 0.448 380 R N 0.817 121.337 120.500 0.033 0.000 2.139 380 R HA -0.134 2.786 4.340 -2.367 0.000 0.243 380 R C 2.135 178.487 176.300 0.087 0.000 1.145 380 R CA 0.786 56.939 56.100 0.089 0.000 0.976 380 R CB -0.963 29.445 30.300 0.180 0.000 0.866 380 R HN 0.169 nan 8.270 nan 0.000 0.449 381 L N 0.557 121.824 121.223 0.073 0.000 2.046 381 L HA -0.061 2.858 4.340 -2.367 0.000 0.208 381 L C 2.096 179.051 176.870 0.142 0.000 1.077 381 L CA 2.266 57.183 54.840 0.128 0.000 0.747 381 L CB -0.726 41.410 42.059 0.128 0.000 0.896 381 L HN 0.346 nan 8.230 nan 0.000 0.432 382 E N -0.354 119.880 120.200 0.056 0.000 2.072 382 E HA -0.240 2.690 4.350 -2.367 0.000 0.190 382 E C 2.142 178.739 176.600 -0.004 0.000 0.982 382 E CA 1.434 57.835 56.400 0.001 0.000 0.803 382 E CB -0.245 29.442 29.700 -0.022 0.000 0.755 382 E HN 0.561 nan 8.360 nan 0.000 0.453 383 E N -0.319 119.895 120.200 0.024 0.000 2.065 383 E HA -0.223 2.707 4.350 -2.367 0.000 0.201 383 E C 1.991 178.613 176.600 0.037 0.000 1.016 383 E CA 1.981 58.401 56.400 0.034 0.000 0.818 383 E CB -0.057 29.679 29.700 0.060 0.000 0.749 383 E HN 0.223 nan 8.360 nan 0.000 0.453 384 V N 1.372 121.315 119.914 0.048 0.000 2.343 384 V HA -0.271 2.429 4.120 -2.367 0.000 0.247 384 V C 2.305 178.389 176.094 -0.017 0.000 1.051 384 V CA 2.010 64.308 62.300 -0.005 0.000 1.036 384 V CB -0.953 30.790 31.823 -0.133 0.000 0.654 384 V HN 0.397 nan 8.190 nan 0.000 0.451 385 N N 0.634 119.327 118.700 -0.012 0.000 2.018 385 N HA -0.234 3.086 4.740 -2.367 0.000 0.196 385 N C 1.820 177.194 175.510 -0.227 0.000 1.043 385 N CA 1.724 54.574 53.050 -0.334 0.000 0.856 385 N CB -0.192 37.937 38.487 -0.597 0.000 1.042 385 N HN 0.202 nan 8.380 nan 0.000 0.423 386 K N 0.663 120.982 120.400 -0.135 0.000 2.097 386 K HA -0.138 2.762 4.320 -2.367 0.000 0.206 386 K C 1.972 178.552 176.600 -0.033 0.000 1.049 386 K CA 0.990 57.227 56.287 -0.084 0.000 0.933 386 K CB -0.497 31.971 32.500 -0.053 0.000 0.717 386 K HN 0.523 nan 8.250 nan 0.000 0.442 387 E N 0.615 120.817 120.200 0.004 0.000 2.085 387 E HA -0.138 2.792 4.350 -2.367 0.000 0.194 387 E C 2.021 178.660 176.600 0.066 0.000 0.994 387 E CA 0.903 57.336 56.400 0.055 0.000 0.801 387 E CB -0.005 29.764 29.700 0.114 0.000 0.743 387 E HN 0.229 nan 8.360 nan 0.000 0.453 388 I N 0.649 121.251 120.570 0.053 0.000 2.315 388 I HA -0.203 2.547 4.170 -2.367 0.000 0.248 388 I C 2.442 178.575 176.117 0.027 0.000 1.117 388 I CA 0.934 62.276 61.300 0.071 0.000 1.404 388 I CB -0.196 37.849 38.000 0.075 0.000 1.071 388 I HN 0.122 nan 8.210 nan 0.000 0.419 389 E N 0.703 120.889 120.200 -0.023 0.000 2.153 389 E HA -0.199 2.730 4.350 -2.367 0.000 0.194 389 E C 2.194 178.788 176.600 -0.009 0.000 0.988 389 E CA 1.671 58.050 56.400 -0.035 0.000 0.811 389 E CB -0.045 29.610 29.700 -0.076 0.000 0.746 389 E HN 0.321 nan 8.360 nan 0.000 0.466 390 S N -1.371 114.331 115.700 0.004 0.000 2.339 390 S HA -0.047 3.003 4.470 -2.367 0.000 0.213 390 S C 1.836 176.453 174.600 0.029 0.000 1.033 390 S CA 1.344 59.552 58.200 0.014 0.000 0.950 390 S CB -0.567 62.642 63.200 0.016 0.000 0.893 390 S HN 0.435 nan 8.310 nan 0.000 0.492 391 T N -0.074 114.506 114.554 0.044 0.000 3.144 391 T HA 0.228 3.158 4.350 -2.367 0.000 0.249 391 T C 0.908 175.645 174.700 0.061 0.000 1.089 391 T CA 0.955 63.088 62.100 0.054 0.000 0.989 391 T CB -0.502 68.406 68.868 0.065 0.000 0.992 391 T HN 1.052 nan 8.240 nan 0.000 0.540 392 S N -1.311 114.424 115.700 0.058 0.000 3.319 392 S HA -0.220 2.830 4.470 -2.367 0.000 0.319 392 S C 0.360 175.015 174.600 0.091 0.000 1.236 392 S CA 1.201 59.439 58.200 0.063 0.000 0.964 392 S CB -2.929 60.299 63.200 0.046 0.000 1.040 392 S HN 1.158 nan 8.310 nan 0.000 0.620 393 T N -0.520 114.111 114.554 0.128 0.000 2.654 393 T HA 0.587 3.516 4.350 -2.367 0.000 0.303 393 T C -1.662 173.212 174.700 0.290 0.000 1.656 393 T CA -0.193 62.020 62.100 0.189 0.000 0.971 393 T CB 0.840 69.755 68.868 0.078 0.000 1.811 393 T HN 1.373 nan 8.240 nan 0.000 0.483 394 Y N -0.583 119.736 120.300 0.032 0.000 2.705 394 Y HA 0.840 3.971 4.550 -2.365 0.000 0.332 394 Y C -1.594 174.329 175.900 0.038 0.000 1.221 394 Y CA -1.248 56.880 58.100 0.047 0.000 1.059 394 Y CB 1.054 39.561 38.460 0.078 0.000 1.298 394 Y HN 0.467 nan 8.280 nan 0.000 0.459 395 Q N 2.065 121.846 119.800 -0.033 0.000 2.353 395 Q HA 0.491 3.411 4.340 -2.367 0.000 0.268 395 Q C -1.234 174.756 176.000 -0.017 0.000 1.045 395 Q CA -0.846 54.894 55.803 -0.106 0.000 0.811 395 Q CB 3.152 31.889 28.738 -0.000 0.000 1.305 395 Q HN 0.765 nan 8.270 nan 0.000 0.447 396 L N 2.011 123.207 121.223 -0.044 0.000 2.349 396 L HA 0.291 3.210 4.340 -2.367 0.000 0.275 396 L C 0.730 177.624 176.870 0.040 0.000 1.115 396 L CA -0.677 54.197 54.840 0.055 0.000 0.820 396 L CB 0.354 42.450 42.059 0.061 0.000 1.135 396 L HN 0.191 nan 8.230 nan 0.000 0.445 397 K N 1.741 122.163 120.400 0.036 0.000 2.319 397 K HA -0.004 2.896 4.320 -2.367 0.000 0.265 397 K C 0.470 177.049 176.600 -0.035 0.000 1.000 397 K CA -0.117 56.170 56.287 0.000 0.000 0.943 397 K CB 0.671 33.162 32.500 -0.015 0.000 0.950 397 K HN 0.485 nan 8.250 nan 0.000 0.485 398 D N 0.667 121.048 120.400 -0.031 0.000 2.133 398 D HA -0.203 3.016 4.640 -2.367 0.000 0.192 398 D C 1.727 177.994 176.300 -0.056 0.000 1.001 398 D CA 2.546 56.520 54.000 -0.042 0.000 0.844 398 D CB -0.309 40.474 40.800 -0.029 0.000 0.944 398 D HN 0.780 nan 8.370 nan 0.000 0.447 399 T N -1.227 113.287 114.554 -0.067 0.000 2.759 399 T HA -0.188 2.742 4.350 -2.367 0.000 0.269 399 T C 1.664 176.255 174.700 -0.182 0.000 1.042 399 T CA 1.366 63.421 62.100 -0.074 0.000 1.140 399 T CB -0.394 68.445 68.868 -0.049 0.000 0.864 399 T HN 0.300 nan 8.240 nan 0.000 0.455 400 E N 0.673 120.688 120.200 -0.308 0.000 2.152 400 E HA 0.079 3.009 4.350 -2.367 0.000 0.192 400 E C 2.110 178.763 176.600 0.088 0.000 0.983 400 E CA 0.613 56.839 56.400 -0.290 0.000 0.818 400 E CB -0.252 29.331 29.700 -0.195 0.000 0.758 400 E HN 0.323 nan 8.360 nan 0.000 0.467 401 L N 1.303 122.523 121.223 -0.005 0.000 1.976 401 L HA -0.153 2.767 4.340 -2.367 0.000 0.209 401 L C 2.179 179.025 176.870 -0.041 0.000 1.071 401 L CA 1.504 56.302 54.840 -0.070 0.000 0.746 401 L CB -0.282 41.695 42.059 -0.138 0.000 0.890 401 L HN 0.078 nan 8.230 nan 0.000 0.432 402 I N -1.541 119.022 120.570 -0.012 0.000 2.145 402 I HA -0.405 2.345 4.170 -2.367 0.000 0.244 402 I C 2.408 178.609 176.117 0.141 0.000 1.075 402 I CA 2.066 63.381 61.300 0.026 0.000 1.332 402 I CB -0.520 37.496 38.000 0.028 0.000 1.033 402 I HN 0.389 nan 8.210 nan 0.000 0.410 403 Y N 1.517 121.874 120.300 0.095 0.000 2.145 403 Y HA -0.189 2.940 4.550 -2.368 0.000 0.286 403 Y C 2.411 178.471 175.900 0.267 0.000 1.145 403 Y CA 1.679 59.915 58.100 0.227 0.000 1.148 403 Y CB -0.880 37.690 38.460 0.183 0.000 0.981 403 Y HN 0.094 nan 8.280 nan 0.000 0.507 404 G N -0.004 108.965 108.800 0.282 0.000 2.446 404 G HA2 -0.323 2.216 3.960 -2.367 0.000 0.217 404 G HA3 -0.323 2.216 3.960 -2.367 0.000 0.217 404 G C 1.807 176.635 174.900 -0.120 0.000 1.168 404 G CA 1.264 46.392 45.100 0.047 0.000 0.771 404 G HN 0.630 nan 8.290 nan 0.000 0.551 405 A N 0.614 123.368 122.820 -0.109 0.000 1.873 405 A HA 0.031 2.931 4.320 -2.367 0.000 0.215 405 A C 2.301 179.901 177.584 0.028 0.000 1.186 405 A CA 1.949 53.917 52.037 -0.115 0.000 0.616 405 A CB -0.376 18.574 19.000 -0.083 0.000 0.823 405 A HN 0.364 nan 8.150 nan 0.000 0.442 406 K N -1.139 119.333 120.400 0.121 0.000 2.152 406 K HA -0.151 2.748 4.320 -2.367 0.000 0.206 406 K C 1.865 178.555 176.600 0.151 0.000 1.048 406 K CA 1.449 57.894 56.287 0.263 0.000 0.933 406 K CB -0.271 32.420 32.500 0.318 0.000 0.721 406 K HN 0.642 nan 8.250 nan 0.000 0.447 407 H N -0.842 118.146 119.070 -0.137 0.000 2.512 407 H HA 0.083 3.219 4.556 -2.368 0.000 0.279 407 H C 1.926 177.094 175.328 -0.267 0.000 0.999 407 H CA 0.790 56.642 56.048 -0.327 0.000 1.283 407 H CB 0.403 29.841 29.762 -0.540 0.000 1.421 407 H HN 0.223 nan 8.280 nan 0.000 0.554 408 A N 1.108 123.801 122.820 -0.211 0.000 1.898 408 A HA -0.172 2.727 4.320 -2.367 0.000 0.216 408 A C 2.162 179.656 177.584 -0.150 0.000 1.181 408 A CA 0.956 52.727 52.037 -0.445 0.000 0.620 408 A CB -0.772 17.561 19.000 -1.111 0.000 0.819 408 A HN 0.482 nan 8.150 nan 0.000 0.442 409 W N 1.144 122.384 121.300 -0.101 0.000 2.354 409 W HA -0.151 3.091 4.660 -2.364 0.000 0.315 409 W C 2.329 178.799 176.519 -0.081 0.000 1.206 409 W CA 1.591 58.977 57.345 0.068 0.000 1.290 409 W CB -0.814 28.689 29.460 0.071 0.000 1.152 409 W HN 0.385 nan 8.180 nan 0.000 0.489 410 R N 0.407 120.847 120.500 -0.099 0.000 2.117 410 R HA -0.205 2.715 4.340 -2.367 0.000 0.243 410 R C 1.499 177.630 176.300 -0.281 0.000 1.143 410 R CA 1.981 57.786 56.100 -0.492 0.000 0.968 410 R CB -0.541 29.080 30.300 -1.132 0.000 0.863 410 R HN 0.103 nan 8.270 nan 0.000 0.444 411 N N 0.102 118.693 118.700 -0.182 0.000 2.336 411 N HA 0.036 3.356 4.740 -2.367 0.000 0.189 411 N C -0.534 174.928 175.510 -0.080 0.000 1.113 411 N CA 0.589 53.554 53.050 -0.142 0.000 0.858 411 N CB 0.762 39.165 38.487 -0.140 0.000 0.970 411 N HN 0.163 nan 8.380 nan 0.000 0.471 412 A N 1.265 124.098 122.820 0.022 0.000 2.655 412 A HA 0.143 3.042 4.320 -2.367 0.000 0.297 412 A C 1.472 179.048 177.584 -0.013 0.000 1.461 412 A CA -0.213 51.843 52.037 0.033 0.000 1.146 412 A CB -0.262 18.825 19.000 0.145 0.000 1.108 412 A HN 0.271 nan 8.150 nan 0.000 0.550 413 S N 2.523 118.166 115.700 -0.094 0.000 2.465 413 S HA -0.168 2.881 4.470 -2.367 0.000 0.241 413 S C 1.456 176.001 174.600 -0.093 0.000 1.000 413 S CA 1.290 59.430 58.200 -0.101 0.000 0.964 413 S CB -0.199 62.902 63.200 -0.166 0.000 0.763 413 S HN 0.756 nan 8.310 nan 0.000 0.512 414 R N -0.674 119.742 120.500 -0.139 0.000 2.334 414 R HA 0.299 3.219 4.340 -2.367 0.000 0.216 414 R C 0.140 176.447 176.300 0.012 0.000 0.905 414 R CA -0.041 55.984 56.100 -0.126 0.000 1.064 414 R CB 0.097 30.100 30.300 -0.495 0.000 1.046 414 R HN 0.425 nan 8.270 nan 0.000 0.508 415 C N 0.467 119.772 119.300 0.008 0.000 2.347 415 C HA 0.225 3.265 4.460 -2.367 0.000 0.353 415 C C 1.928 176.907 174.990 -0.018 0.000 1.273 415 C CA -0.634 58.419 59.018 0.058 0.000 1.861 415 C CB 0.842 28.678 27.740 0.160 0.000 2.420 415 C HN 0.271 nan 8.230 nan 0.000 0.542 416 V N 5.749 125.621 119.914 -0.071 0.000 3.235 416 V HA 0.221 2.920 4.120 -2.367 0.000 0.259 416 V C 1.743 177.879 176.094 0.069 0.000 1.133 416 V CA 2.061 64.237 62.300 -0.207 0.000 1.128 416 V CB -0.063 31.644 31.823 -0.194 0.000 0.757 416 V HN 1.075 nan 8.190 nan 0.000 0.469 417 G N -0.585 108.284 108.800 0.115 0.000 3.448 417 G HA2 0.069 2.609 3.960 -2.367 0.000 0.261 417 G HA3 0.069 2.609 3.960 -2.367 0.000 0.261 417 G C 1.169 176.103 174.900 0.056 0.000 1.173 417 G CA -0.339 44.839 45.100 0.129 0.000 0.835 417 G HN 0.438 nan 8.290 nan 0.000 0.534 418 R N -0.067 120.415 120.500 -0.031 0.000 2.303 418 R HA 0.042 2.961 4.340 -2.367 0.000 0.225 418 R C 2.030 177.852 176.300 -0.797 0.000 1.114 418 R CA 0.298 56.124 56.100 -0.457 0.000 1.007 418 R CB -0.208 29.907 30.300 -0.310 0.000 0.861 418 R HN 0.461 nan 8.270 nan 0.000 0.471 419 I N 1.089 121.271 120.570 -0.648 0.000 2.657 419 I HA -0.250 2.499 4.170 -2.367 0.000 0.261 419 I C 0.912 176.885 176.117 -0.240 0.000 1.212 419 I CA 1.353 62.415 61.300 -0.396 0.000 1.453 419 I CB 0.131 38.096 38.000 -0.058 0.000 1.092 419 I HN 0.237 nan 8.210 nan 0.000 0.452 420 Q N 0.486 120.081 119.800 -0.341 0.000 2.246 420 Q HA -0.055 2.865 4.340 -2.367 0.000 0.202 420 Q C 1.500 176.993 176.000 -0.845 0.000 0.883 420 Q CA 0.073 55.654 55.803 -0.370 0.000 0.952 420 Q CB -0.146 28.534 28.738 -0.097 0.000 1.078 420 Q HN 0.767 nan 8.270 nan 0.000 0.493 421 W N 1.358 121.964 121.300 -1.157 0.000 2.305 421 W HA -0.267 2.972 4.660 -2.368 0.000 0.308 421 W C 1.382 177.526 176.519 -0.625 0.000 1.226 421 W CA 1.720 58.245 57.345 -1.367 0.000 1.253 421 W CB -1.243 27.642 29.460 -0.958 0.000 1.146 421 W HN 0.178 nan 8.180 nan 0.000 0.507 422 S N 0.826 115.659 115.700 -1.446 0.000 2.428 422 S HA -0.108 2.941 4.470 -2.367 0.000 0.230 422 S C 1.359 175.674 174.600 -0.475 0.000 1.014 422 S CA 0.933 58.426 58.200 -1.177 0.000 0.957 422 S CB -0.564 61.753 63.200 -1.473 0.000 0.784 422 S HN 0.325 nan 8.310 nan 0.000 0.499 423 K N 1.209 121.397 120.400 -0.353 0.000 2.502 423 K HA 0.328 3.228 4.320 -2.367 0.000 0.244 423 K C -1.082 175.554 176.600 0.059 0.000 1.249 423 K CA -0.383 55.837 56.287 -0.112 0.000 1.193 423 K CB -0.445 32.025 32.500 -0.051 0.000 1.674 423 K HN 0.349 nan 8.250 nan 0.000 0.302 424 L N 2.237 123.501 121.223 0.069 0.000 2.381 424 L HA 0.324 3.243 4.340 -2.367 0.000 0.274 424 L C -1.076 175.797 176.870 0.004 0.000 0.988 424 L CA -0.498 54.440 54.840 0.164 0.000 0.824 424 L CB 1.826 44.076 42.059 0.319 0.000 1.263 424 L HN 0.247 nan 8.230 nan 0.000 0.410 425 Q N 3.199 122.960 119.800 -0.065 0.000 2.294 425 Q HA 0.507 3.426 4.340 -2.367 0.000 0.257 425 Q C -1.496 174.188 176.000 -0.526 0.000 0.955 425 Q CA -0.093 55.510 55.803 -0.333 0.000 0.936 425 Q CB 1.293 29.782 28.738 -0.415 0.000 1.188 425 Q HN 0.550 nan 8.270 nan 0.000 0.420 426 V N 6.006 125.607 119.914 -0.522 0.000 2.370 426 V HA 0.427 3.126 4.120 -2.367 0.000 0.283 426 V C -0.779 174.990 176.094 -0.543 0.000 1.023 426 V CA -0.590 61.454 62.300 -0.427 0.000 0.857 426 V CB 0.528 32.223 31.823 -0.214 0.000 0.985 426 V HN 0.624 nan 8.190 nan 0.000 0.443 427 F N 2.535 122.385 119.950 -0.167 0.000 2.404 427 F HA 0.378 3.490 4.527 -2.360 0.000 0.354 427 F C 0.553 176.196 175.800 -0.261 0.000 1.122 427 F CA -1.078 56.813 58.000 -0.181 0.000 1.080 427 F CB 1.094 40.006 39.000 -0.147 0.000 1.131 427 F HN 0.410 nan 8.300 nan 0.000 0.471 428 D N 3.303 123.670 120.400 -0.055 0.000 2.422 428 D HA 0.295 3.514 4.640 -2.367 0.000 0.227 428 D C 0.396 176.495 176.300 -0.336 0.000 1.190 428 D CA 0.171 54.059 54.000 -0.187 0.000 0.905 428 D CB 1.088 41.826 40.800 -0.103 0.000 1.034 428 D HN 0.637 nan 8.370 nan 0.000 0.507 429 A N 4.509 126.909 122.820 -0.702 0.000 2.462 429 A HA 0.105 3.004 4.320 -2.367 0.000 0.261 429 A C 1.834 179.021 177.584 -0.661 0.000 1.323 429 A CA -0.274 51.012 52.037 -1.253 0.000 0.913 429 A CB -0.049 17.612 19.000 -2.231 0.000 1.028 429 A HN 0.508 nan 8.150 nan 0.000 0.511 430 R N 0.713 121.000 120.500 -0.355 0.000 2.241 430 R HA -0.122 2.798 4.340 -2.367 0.000 0.224 430 R C 0.897 177.135 176.300 -0.102 0.000 1.101 430 R CA 1.376 57.361 56.100 -0.191 0.000 0.995 430 R CB -0.010 30.238 30.300 -0.087 0.000 0.870 430 R HN 0.733 nan 8.270 nan 0.000 0.463 431 D N -0.590 119.788 120.400 -0.036 0.000 2.339 431 D HA -0.062 3.158 4.640 -2.367 0.000 0.217 431 D C 0.367 176.745 176.300 0.129 0.000 1.050 431 D CA -0.173 53.861 54.000 0.057 0.000 0.856 431 D CB -0.531 40.323 40.800 0.089 0.000 0.922 431 D HN 0.005 nan 8.370 nan 0.000 0.518 432 C N 1.662 121.045 119.300 0.139 0.000 2.662 432 C HA 0.321 3.361 4.460 -2.367 0.000 0.420 432 C C 1.958 177.136 174.990 0.313 0.000 1.314 432 C CA 0.937 60.130 59.018 0.292 0.000 1.963 432 C CB 0.032 28.006 27.740 0.392 0.000 2.686 432 C HN 0.559 nan 8.230 nan 0.000 0.609 433 T N 0.300 115.064 114.554 0.351 0.000 2.969 433 T HA 0.262 3.191 4.350 -2.367 0.000 0.258 433 T C 0.344 175.218 174.700 0.290 0.000 0.962 433 T CA 0.621 62.929 62.100 0.347 0.000 0.903 433 T CB -0.110 68.879 68.868 0.202 0.000 1.177 433 T HN 0.893 nan 8.240 nan 0.000 0.511 434 T N -1.834 112.889 114.554 0.283 0.000 2.887 434 T HA 0.810 3.739 4.350 -2.367 0.000 0.292 434 T C 1.421 176.245 174.700 0.207 0.000 1.087 434 T CA -0.211 62.016 62.100 0.211 0.000 1.009 434 T CB 1.415 70.406 68.868 0.204 0.000 1.203 434 T HN 0.085 nan 8.240 nan 0.000 0.518 435 A N 0.011 122.933 122.820 0.170 0.000 1.933 435 A HA -0.029 2.871 4.320 -2.367 0.000 0.218 435 A C 1.980 179.595 177.584 0.052 0.000 1.175 435 A CA 1.794 53.905 52.037 0.123 0.000 0.628 435 A CB -1.435 17.665 19.000 0.167 0.000 0.814 435 A HN 0.988 nan 8.150 nan 0.000 0.444 436 H N -0.685 118.482 119.070 0.162 0.000 2.389 436 H HA 0.014 4.988 4.556 0.697 0.000 0.299 436 H C 2.380 177.712 175.328 0.007 0.000 1.081 436 H CA 1.448 57.536 56.048 0.065 0.000 1.345 436 H CB -0.379 29.503 29.762 0.200 0.000 1.393 436 H HN 0.475 nan 8.280 nan 0.000 0.520 437 G N 0.148 109.079 108.800 0.217 0.000 2.440 437 G HA2 -0.286 2.253 3.960 -2.367 0.000 0.218 437 G HA3 -0.286 2.253 3.960 -2.367 0.000 0.218 437 G C 1.624 176.678 174.900 0.257 0.000 1.154 437 G CA 1.084 46.309 45.100 0.209 0.000 0.767 437 G HN 0.300 nan 8.290 nan 0.000 0.552 438 M N -0.609 119.097 119.600 0.177 0.000 2.159 438 M HA 0.068 3.128 4.480 -2.367 0.000 0.263 438 M C 2.259 178.566 176.300 0.011 0.000 1.063 438 M CA 1.136 56.466 55.300 0.050 0.000 1.110 438 M CB -0.310 32.090 32.600 -0.334 0.000 1.374 438 M HN 0.323 nan 8.290 nan 0.000 0.411 439 F N 1.119 120.838 119.950 -0.384 0.000 2.146 439 F HA -0.255 2.908 4.527 -2.275 0.000 0.298 439 F C 2.130 177.792 175.800 -0.230 0.000 1.096 439 F CA 1.805 59.491 58.000 -0.523 0.000 1.275 439 F CB -0.220 38.008 39.000 -1.287 0.000 1.008 439 F HN 0.170 nan 8.300 nan 0.000 0.480 440 N N -0.321 118.229 118.700 -0.250 0.000 2.084 440 N HA -0.264 3.055 4.740 -2.367 0.000 0.190 440 N C 1.807 177.158 175.510 -0.264 0.000 1.030 440 N CA 2.103 54.971 53.050 -0.305 0.000 0.849 440 N CB -0.773 37.602 38.487 -0.187 0.000 1.012 440 N HN 0.507 nan 8.380 nan 0.000 0.423 441 Y N 0.370 120.625 120.300 -0.075 0.000 2.145 441 Y HA -0.039 3.087 4.550 -2.374 0.000 0.286 441 Y C 2.257 178.126 175.900 -0.051 0.000 1.145 441 Y CA 1.135 59.219 58.100 -0.026 0.000 1.148 441 Y CB -0.075 38.504 38.460 0.198 0.000 0.981 441 Y HN 0.100 nan 8.280 nan 0.000 0.507 442 I N -1.470 119.192 120.570 0.153 0.000 2.226 442 I HA -0.366 2.383 4.170 -2.367 0.000 0.245 442 I C 2.328 178.388 176.117 -0.096 0.000 1.100 442 I CA 0.919 62.239 61.300 0.033 0.000 1.374 442 I CB -0.496 37.494 38.000 -0.016 0.000 1.057 442 I HN 0.354 nan 8.210 nan 0.000 0.413 443 C N 0.886 120.003 119.300 -0.305 0.000 2.429 443 C HA -0.144 2.896 4.460 -2.367 0.000 0.277 443 C C 2.587 177.466 174.990 -0.185 0.000 1.262 443 C CA 0.995 59.804 59.018 -0.348 0.000 1.733 443 C CB -1.379 25.977 27.740 -0.640 0.000 2.010 443 C HN 0.552 nan 8.230 nan 0.000 0.483 444 N N -0.193 118.391 118.700 -0.195 0.000 2.244 444 N HA -0.113 3.206 4.740 -2.367 0.000 0.183 444 N C 1.643 177.058 175.510 -0.158 0.000 1.016 444 N CA 0.978 53.912 53.050 -0.193 0.000 0.866 444 N CB -0.735 37.578 38.487 -0.290 0.000 0.980 444 N HN 0.641 nan 8.380 nan 0.000 0.430 445 H N 0.873 119.809 119.070 -0.224 0.000 2.326 445 H HA 0.064 3.200 4.556 -2.367 0.000 0.301 445 H C 1.766 177.128 175.328 0.057 0.000 1.081 445 H CA 1.028 57.018 56.048 -0.098 0.000 1.334 445 H CB -0.162 29.594 29.762 -0.010 0.000 1.385 445 H HN -0.083 nan 8.280 nan 0.000 0.504 446 V N 1.280 121.355 119.914 0.267 0.000 2.427 446 V HA -0.186 2.514 4.120 -2.367 0.000 0.248 446 V C 2.725 178.890 176.094 0.118 0.000 1.051 446 V CA 2.066 64.478 62.300 0.187 0.000 1.048 446 V CB -0.456 31.396 31.823 0.048 0.000 0.666 446 V HN 0.333 nan 8.190 nan 0.000 0.456 447 K N -0.955 119.487 120.400 0.070 0.000 2.116 447 K HA -0.182 2.718 4.320 -2.367 0.000 0.203 447 K C 2.245 178.886 176.600 0.068 0.000 1.052 447 K CA 1.333 57.648 56.287 0.046 0.000 0.952 447 K CB -0.230 32.277 32.500 0.012 0.000 0.729 447 K HN 0.500 nan 8.250 nan 0.000 0.446 448 Y N 0.774 121.076 120.300 0.004 0.000 2.163 448 Y HA -0.127 3.001 4.550 -2.369 0.000 0.288 448 Y C 1.935 177.880 175.900 0.075 0.000 1.136 448 Y CA 1.691 59.819 58.100 0.046 0.000 1.147 448 Y CB -0.350 38.166 38.460 0.094 0.000 0.987 448 Y HN 0.123 nan 8.280 nan 0.000 0.509 449 A N -0.918 121.951 122.820 0.081 0.000 1.968 449 A HA -0.101 2.798 4.320 -2.367 0.000 0.217 449 A C 2.171 179.771 177.584 0.027 0.000 1.169 449 A CA 1.953 54.016 52.037 0.043 0.000 0.638 449 A CB -1.169 17.940 19.000 0.182 0.000 0.812 449 A HN 0.499 nan 8.150 nan 0.000 0.446 450 T N -0.319 114.262 114.554 0.045 0.000 2.777 450 T HA -0.110 2.820 4.350 -2.367 0.000 0.266 450 T C 1.050 175.745 174.700 -0.008 0.000 1.040 450 T CA 0.961 63.089 62.100 0.047 0.000 1.141 450 T CB -0.553 68.345 68.868 0.051 0.000 0.868 450 T HN 0.760 nan 8.240 nan 0.000 0.444 451 N N 1.050 119.714 118.700 -0.060 0.000 2.708 451 N HA -0.290 3.029 4.740 -2.367 0.000 0.251 451 N C -0.526 174.955 175.510 -0.049 0.000 1.017 451 N CA 0.507 53.504 53.050 -0.089 0.000 0.742 451 N CB -0.702 37.691 38.487 -0.158 0.000 0.943 451 N HN 0.464 nan 8.380 nan 0.000 0.539 452 K N -2.857 117.527 120.400 -0.027 0.000 3.209 452 K HA -0.253 2.646 4.320 -2.367 0.000 0.289 452 K C 0.957 177.541 176.600 -0.027 0.000 1.191 452 K CA 0.872 57.145 56.287 -0.024 0.000 0.851 452 K CB -1.774 30.710 32.500 -0.027 0.000 1.242 452 K HN 0.835 nan 8.250 nan 0.000 0.480 453 G N 0.695 109.486 108.800 -0.015 0.000 2.307 453 G HA2 -0.304 2.235 3.960 -2.367 0.000 0.210 453 G HA3 -0.304 2.235 3.960 -2.367 0.000 0.210 453 G C -0.122 174.771 174.900 -0.012 0.000 1.005 453 G CA 0.079 45.171 45.100 -0.014 0.000 0.634 453 G HN 0.422 nan 8.290 nan 0.000 0.496 454 N N 1.604 120.283 118.700 -0.035 0.000 2.968 454 N HA 0.451 3.771 4.740 -2.367 0.000 0.271 454 N C 0.698 176.184 175.510 -0.040 0.000 1.174 454 N CA -0.474 52.540 53.050 -0.059 0.000 1.096 454 N CB -0.198 38.247 38.487 -0.070 0.000 1.403 454 N HN 0.373 nan 8.380 nan 0.000 0.522 455 L N 2.006 123.239 121.223 0.017 0.000 2.506 455 L HA 0.100 3.020 4.340 -2.367 0.000 0.281 455 L C 0.603 177.585 176.870 0.186 0.000 1.228 455 L CA 0.434 55.353 54.840 0.132 0.000 0.850 455 L CB 0.304 42.547 42.059 0.308 0.000 1.110 455 L HN 0.420 nan 8.230 nan 0.000 0.496 456 R N 1.168 121.782 120.500 0.189 0.000 2.621 456 R HA 0.346 3.265 4.340 -2.367 0.000 0.284 456 R C -0.856 175.594 176.300 0.251 0.000 0.998 456 R CA -0.691 55.539 56.100 0.217 0.000 0.895 456 R CB 2.112 32.388 30.300 -0.040 0.000 1.195 456 R HN 0.579 nan 8.270 nan 0.000 0.450 457 S N 1.203 117.070 115.700 0.278 0.000 2.568 457 S HA 0.488 3.538 4.470 -2.367 0.000 0.282 457 S C -0.178 174.504 174.600 0.136 0.000 1.338 457 S CA -0.138 58.147 58.200 0.140 0.000 1.045 457 S CB 1.186 64.502 63.200 0.194 0.000 0.873 457 S HN 0.709 nan 8.310 nan 0.000 0.516 458 A N 1.734 124.593 122.820 0.064 0.000 2.601 458 A HA 0.809 3.709 4.320 -2.367 0.000 0.291 458 A C -1.398 176.290 177.584 0.173 0.000 1.075 458 A CA -0.654 51.389 52.037 0.010 0.000 0.671 458 A CB 1.117 20.024 19.000 -0.154 0.000 1.277 458 A HN 0.820 nan 8.150 nan 0.000 0.417 459 I N 0.299 120.971 120.570 0.170 0.000 2.743 459 I HA 0.591 3.340 4.170 -2.367 0.000 0.292 459 I C -1.342 174.939 176.117 0.273 0.000 1.343 459 I CA 0.016 61.499 61.300 0.304 0.000 1.038 459 I CB 2.325 40.414 38.000 0.149 0.000 1.311 459 I HN 0.637 nan 8.210 nan 0.000 0.426 460 T N 7.801 122.529 114.554 0.289 0.000 2.807 460 T HA 0.594 3.523 4.350 -2.367 0.000 0.279 460 T C -0.435 174.121 174.700 -0.238 0.000 0.993 460 T CA -0.294 61.828 62.100 0.036 0.000 0.970 460 T CB 1.161 70.061 68.868 0.053 0.000 0.950 460 T HN 0.306 nan 8.240 nan 0.000 0.441 461 I N 4.157 124.459 120.570 -0.446 0.000 2.359 461 I HA 0.389 3.139 4.170 -2.367 0.000 0.284 461 I C -0.383 175.382 176.117 -0.588 0.000 1.018 461 I CA -0.664 60.386 61.300 -0.418 0.000 1.173 461 I CB 0.521 38.245 38.000 -0.459 0.000 1.326 461 I HN 0.468 nan 8.210 nan 0.000 0.462 462 F N 6.352 126.206 119.950 -0.160 0.000 2.373 462 F HA 0.367 3.480 4.527 -2.356 0.000 0.302 462 F C -1.784 173.846 175.800 -0.282 0.000 1.247 462 F CA -2.027 55.782 58.000 -0.318 0.000 1.169 462 F CB -0.280 38.530 39.000 -0.318 0.000 1.309 462 F HN 0.220 nan 8.300 nan 0.000 0.537 463 P HA -0.022 nan 4.420 nan 0.000 0.264 463 P C -1.080 176.177 177.300 -0.072 0.000 1.183 463 P CA -0.019 62.894 63.100 -0.313 0.000 0.763 463 P CB 0.201 31.570 31.700 -0.553 0.000 0.807 464 Q N 2.927 122.655 119.800 -0.121 0.000 2.492 464 Q HA 0.156 3.076 4.340 -2.367 0.000 0.238 464 Q C 0.191 176.108 176.000 -0.138 0.000 1.045 464 Q CA -0.572 54.997 55.803 -0.390 0.000 0.934 464 Q CB 0.746 28.954 28.738 -0.884 0.000 1.276 464 Q HN 0.317 nan 8.270 nan 0.000 0.521 465 R N 0.006 120.420 120.500 -0.145 0.000 2.694 465 R HA 0.045 2.965 4.340 -2.367 0.000 0.268 465 R C 0.206 176.490 176.300 -0.028 0.000 1.061 465 R CA 0.946 57.031 56.100 -0.026 0.000 1.133 465 R CB 0.569 30.847 30.300 -0.037 0.000 1.020 465 R HN 0.995 nan 8.270 nan 0.000 0.475 466 T N -1.567 113.008 114.554 0.035 0.000 3.393 466 T HA 0.010 2.940 4.350 -2.367 0.000 0.231 466 T C 0.835 175.539 174.700 0.006 0.000 0.983 466 T CA 0.249 62.375 62.100 0.043 0.000 1.272 466 T CB -0.053 68.899 68.868 0.140 0.000 1.214 466 T HN 0.746 nan 8.240 nan 0.000 0.368 467 D N 0.775 121.153 120.400 -0.038 0.000 2.469 467 D HA 0.261 3.481 4.640 -2.367 0.000 0.213 467 D C 1.580 177.810 176.300 -0.117 0.000 1.135 467 D CA 0.641 54.582 54.000 -0.098 0.000 0.834 467 D CB 0.120 40.812 40.800 -0.180 0.000 1.009 467 D HN 0.824 nan 8.370 nan 0.000 0.507 468 G N 1.637 110.386 108.800 -0.085 0.000 2.184 468 G HA2 -0.345 2.194 3.960 -2.367 0.000 0.264 468 G HA3 -0.345 2.194 3.960 -2.367 0.000 0.264 468 G C 0.950 175.805 174.900 -0.076 0.000 0.975 468 G CA 0.562 45.627 45.100 -0.058 0.000 0.642 468 G HN 0.454 nan 8.290 nan 0.000 0.536 469 K N -0.546 119.741 120.400 -0.190 0.000 2.374 469 K HA 0.263 3.162 4.320 -2.367 0.000 0.202 469 K C 0.609 177.151 176.600 -0.096 0.000 1.040 469 K CA 0.084 56.267 56.287 -0.174 0.000 1.085 469 K CB 0.445 32.789 32.500 -0.260 0.000 0.873 469 K HN 0.619 nan 8.250 nan 0.000 0.539 470 H N 0.260 119.338 119.070 0.012 0.000 2.549 470 H HA 0.157 3.293 4.556 -2.367 0.000 0.253 470 H C -0.998 174.315 175.328 -0.024 0.000 1.170 470 H CA -0.797 55.237 56.048 -0.023 0.000 0.943 470 H CB 0.498 30.267 29.762 0.013 0.000 1.849 470 H HN -0.017 nan 8.280 nan 0.000 0.603 471 D N 0.968 121.420 120.400 0.086 0.000 2.417 471 D HA 0.020 3.239 4.640 -2.367 0.000 0.250 471 D C -0.325 176.011 176.300 0.061 0.000 1.166 471 D CA 0.397 54.458 54.000 0.101 0.000 0.881 471 D CB 0.432 41.268 40.800 0.059 0.000 1.164 471 D HN 0.158 nan 8.370 nan 0.000 0.467 472 F N 3.182 123.170 119.950 0.063 0.000 2.410 472 F HA 0.409 3.510 4.527 -2.377 0.000 0.348 472 F C 0.984 176.807 175.800 0.038 0.000 1.106 472 F CA -0.141 57.885 58.000 0.043 0.000 1.163 472 F CB 0.731 39.779 39.000 0.080 0.000 1.129 472 F HN -0.046 nan 8.300 nan 0.000 0.516 473 R N 1.787 122.391 120.500 0.173 0.000 2.707 473 R HA 0.587 3.507 4.340 -2.367 0.000 0.272 473 R C -1.782 174.632 176.300 0.190 0.000 1.011 473 R CA -1.001 55.195 56.100 0.159 0.000 0.893 473 R CB 2.107 32.487 30.300 0.133 0.000 1.233 473 R HN 0.340 nan 8.270 nan 0.000 0.464 474 V N 2.503 122.513 119.914 0.160 0.000 2.326 474 V HA 0.172 2.871 4.120 -2.367 0.000 0.281 474 V C 0.216 176.459 176.094 0.248 0.000 1.015 474 V CA -0.560 61.834 62.300 0.157 0.000 0.823 474 V CB 1.264 33.102 31.823 0.025 0.000 1.009 474 V HN 0.739 nan 8.190 nan 0.000 0.436 475 W N 2.304 123.640 121.300 0.060 0.000 2.392 475 W HA -0.035 3.220 4.660 -2.342 0.000 0.279 475 W C 1.113 177.596 176.519 -0.060 0.000 1.225 475 W CA -0.047 57.418 57.345 0.200 0.000 1.233 475 W CB -0.681 29.089 29.460 0.516 0.000 1.122 475 W HN 0.520 nan 8.180 nan 0.000 0.561 476 N N -0.081 118.579 118.700 -0.067 0.000 2.381 476 N HA 0.005 3.325 4.740 -2.367 0.000 0.241 476 N C 1.354 176.639 175.510 -0.375 0.000 1.279 476 N CA 0.944 53.608 53.050 -0.644 0.000 0.896 476 N CB 0.559 38.863 38.487 -0.305 0.000 1.118 476 N HN -0.096 nan 8.380 nan 0.000 0.438 477 S N -0.107 115.358 115.700 -0.391 0.000 2.458 477 S HA 0.041 3.091 4.470 -2.367 0.000 0.223 477 S C 0.232 174.703 174.600 -0.215 0.000 1.019 477 S CA 0.428 58.494 58.200 -0.223 0.000 0.937 477 S CB 0.105 63.218 63.200 -0.145 0.000 0.788 477 S HN 0.630 nan 8.310 nan 0.000 0.511 478 Q N -0.405 119.253 119.800 -0.236 0.000 2.379 478 Q HA 0.495 3.415 4.340 -2.367 0.000 0.278 478 Q C 0.110 175.955 176.000 -0.259 0.000 1.068 478 Q CA -0.495 55.165 55.803 -0.239 0.000 0.816 478 Q CB 2.088 30.722 28.738 -0.173 0.000 1.387 478 Q HN 0.109 nan 8.270 nan 0.000 0.413 479 L N 0.902 121.970 121.223 -0.258 0.000 2.127 479 L HA -0.033 2.886 4.340 -2.367 0.000 0.211 479 L C 0.529 177.239 176.870 -0.265 0.000 1.089 479 L CA 1.389 56.096 54.840 -0.222 0.000 0.757 479 L CB -0.139 41.791 42.059 -0.214 0.000 0.899 479 L HN 0.500 nan 8.230 nan 0.000 0.434 480 I N -0.149 120.176 120.570 -0.407 0.000 2.468 480 I HA 0.356 3.106 4.170 -2.367 0.000 0.285 480 I C -0.452 175.034 176.117 -1.052 0.000 1.039 480 I CA -0.339 60.567 61.300 -0.656 0.000 1.074 480 I CB 1.539 39.102 38.000 -0.730 0.000 1.228 480 I HN 0.059 nan 8.210 nan 0.000 0.436 481 R N 4.244 124.278 120.500 -0.777 0.000 2.734 481 R HA 0.494 3.413 4.340 -2.367 0.000 0.271 481 R C -1.645 174.405 176.300 -0.418 0.000 1.021 481 R CA -1.064 54.660 56.100 -0.627 0.000 0.893 481 R CB 2.365 32.542 30.300 -0.206 0.000 1.244 481 R HN 0.353 nan 8.270 nan 0.000 0.464 482 Y N 0.396 120.727 120.300 0.053 0.000 2.299 482 Y HA 0.417 3.547 4.550 -2.367 0.000 0.326 482 Y C 0.927 176.887 175.900 0.100 0.000 1.164 482 Y CA -0.688 57.496 58.100 0.140 0.000 1.234 482 Y CB 1.260 39.902 38.460 0.303 0.000 1.219 482 Y HN 0.617 nan 8.280 nan 0.000 0.497 483 A N 1.817 124.776 122.820 0.232 0.000 2.366 483 A HA 0.593 3.493 4.320 -2.367 0.000 0.249 483 A C 0.414 177.862 177.584 -0.225 0.000 1.084 483 A CA 0.257 52.269 52.037 -0.043 0.000 0.794 483 A CB -0.126 18.855 19.000 -0.031 0.000 1.034 483 A HN 0.889 nan 8.150 nan 0.000 0.491 484 G N -0.134 108.416 108.800 -0.416 0.000 2.643 484 G HA2 0.597 3.136 3.960 -2.367 0.000 0.305 484 G HA3 0.597 3.136 3.960 -2.367 0.000 0.305 484 G C -1.374 173.279 174.900 -0.412 0.000 1.387 484 G CA -0.322 44.590 45.100 -0.314 0.000 0.982 484 G HN 0.557 nan 8.290 nan 0.000 0.501 485 Y N 0.455 120.778 120.300 0.038 0.000 2.462 485 Y HA 0.500 3.628 4.550 -2.369 0.000 0.346 485 Y C 0.356 176.256 175.900 -0.001 0.000 0.976 485 Y CA -1.210 56.905 58.100 0.025 0.000 1.044 485 Y CB 2.239 40.712 38.460 0.022 0.000 1.230 485 Y HN 0.319 nan 8.280 nan 0.000 0.455 486 K N 2.901 123.392 120.400 0.153 0.000 2.258 486 K HA 0.318 3.217 4.320 -2.367 0.000 0.284 486 K C -0.585 176.054 176.600 0.064 0.000 1.051 486 K CA -0.560 55.773 56.287 0.078 0.000 0.923 486 K CB 0.909 33.440 32.500 0.051 0.000 1.046 486 K HN 0.639 nan 8.250 nan 0.000 0.474 487 Q N 2.286 122.108 119.800 0.037 0.000 2.193 487 Q HA 0.147 3.066 4.340 -2.367 0.000 0.246 487 Q C -1.665 174.337 176.000 0.003 0.000 0.959 487 Q CA -2.096 53.715 55.803 0.012 0.000 0.904 487 Q CB 0.802 29.542 28.738 0.002 0.000 1.238 487 Q HN 0.296 nan 8.270 nan 0.000 0.469 488 P HA -0.315 nan 4.420 nan 0.000 0.217 488 P C 0.828 178.125 177.300 -0.006 0.000 1.162 488 P CA 1.597 64.691 63.100 -0.010 0.000 0.901 488 P CB 0.101 31.791 31.700 -0.016 0.000 0.793 489 D N -1.189 119.207 120.400 -0.006 0.000 2.242 489 D HA -0.199 3.021 4.640 -2.367 0.000 0.193 489 D C 1.539 177.839 176.300 -0.001 0.000 1.005 489 D CA 2.585 56.582 54.000 -0.005 0.000 0.856 489 D CB -0.687 40.110 40.800 -0.005 0.000 1.001 489 D HN 0.308 nan 8.370 nan 0.000 0.452 490 G N -0.930 107.871 108.800 0.002 0.000 3.658 490 G HA2 -0.087 2.453 3.960 -2.367 0.000 0.220 490 G HA3 -0.087 2.453 3.960 -2.367 0.000 0.220 490 G C 0.530 175.434 174.900 0.007 0.000 0.917 490 G CA 0.769 45.873 45.100 0.006 0.000 0.865 490 G HN 0.707 nan 8.290 nan 0.000 0.652 491 S N -0.023 115.680 115.700 0.004 0.000 2.502 491 S HA 0.734 3.783 4.470 -2.367 0.000 0.251 491 S C 0.103 174.706 174.600 0.005 0.000 1.254 491 S CA 0.694 58.895 58.200 0.002 0.000 0.989 491 S CB 1.115 64.314 63.200 -0.003 0.000 1.015 491 S HN 0.539 nan 8.310 nan 0.000 0.529 492 T N 1.247 115.799 114.554 -0.004 0.000 3.032 492 T HA 0.446 3.376 4.350 -2.367 0.000 0.312 492 T C -1.336 173.354 174.700 -0.017 0.000 1.078 492 T CA -0.647 61.452 62.100 -0.002 0.000 1.028 492 T CB 1.348 70.206 68.868 -0.018 0.000 1.091 492 T HN 0.605 nan 8.240 nan 0.000 0.457 493 L N 3.459 124.703 121.223 0.035 0.000 2.282 493 L HA 0.670 3.589 4.340 -2.367 0.000 0.288 493 L C 0.792 177.689 176.870 0.045 0.000 1.033 493 L CA 1.110 55.977 54.840 0.045 0.000 0.807 493 L CB 0.156 42.279 42.059 0.108 0.000 1.209 493 L HN 1.043 nan 8.230 nan 0.000 0.423 494 G N 5.479 114.204 108.800 -0.125 0.000 2.603 494 G HA2 -0.229 2.311 3.960 -2.367 0.000 0.245 494 G HA3 -0.229 2.311 3.960 -2.367 0.000 0.245 494 G C -0.522 174.065 174.900 -0.521 0.000 1.195 494 G CA 0.113 45.082 45.100 -0.219 0.000 0.953 494 G HN 0.676 nan 8.290 nan 0.000 0.566 495 D N 1.794 122.077 120.400 -0.195 0.000 2.392 495 D HA 0.579 3.799 4.640 -2.367 0.000 0.228 495 D C -1.294 174.992 176.300 -0.023 0.000 1.074 495 D CA -1.840 52.108 54.000 -0.088 0.000 0.838 495 D CB 1.731 42.758 40.800 0.378 0.000 1.067 495 D HN -0.026 nan 8.370 nan 0.000 0.511 496 P HA -0.067 nan 4.420 nan 0.000 0.220 496 P C 0.955 178.285 177.300 0.050 0.000 1.148 496 P CA 0.845 63.944 63.100 -0.001 0.000 0.803 496 P CB 0.289 31.985 31.700 -0.007 0.000 0.782 497 A N -0.595 122.282 122.820 0.095 0.000 2.125 497 A HA -0.135 2.764 4.320 -2.367 0.000 0.219 497 A C 1.726 179.378 177.584 0.113 0.000 1.156 497 A CA 1.433 53.539 52.037 0.115 0.000 0.671 497 A CB -0.803 18.291 19.000 0.157 0.000 0.794 497 A HN 0.176 nan 8.150 nan 0.000 0.459 498 N N -0.982 117.781 118.700 0.105 0.000 2.171 498 N HA 0.095 3.414 4.740 -2.367 0.000 0.212 498 N C 1.257 176.808 175.510 0.069 0.000 1.184 498 N CA 0.436 53.553 53.050 0.110 0.000 0.888 498 N CB 0.584 39.149 38.487 0.129 0.000 1.038 498 N HN 0.158 nan 8.380 nan 0.000 0.517 499 V N 1.987 121.918 119.914 0.029 0.000 2.252 499 V HA -0.369 2.331 4.120 -2.367 0.000 0.255 499 V C 2.703 178.791 176.094 -0.009 0.000 1.071 499 V CA 2.273 64.571 62.300 -0.004 0.000 1.050 499 V CB -0.593 31.236 31.823 0.011 0.000 0.654 499 V HN 0.414 nan 8.190 nan 0.000 0.448 500 Q N -0.694 119.105 119.800 -0.003 0.000 1.975 500 Q HA -0.286 2.634 4.340 -2.367 0.000 0.205 500 Q C 2.176 178.084 176.000 -0.154 0.000 0.990 500 Q CA 2.618 58.377 55.803 -0.074 0.000 0.845 500 Q CB -0.397 28.301 28.738 -0.067 0.000 0.913 500 Q HN 0.581 nan 8.270 nan 0.000 0.420 501 F N 1.201 120.968 119.950 -0.305 0.000 2.154 501 F HA -0.199 2.904 4.527 -2.374 0.000 0.301 501 F C 2.078 177.777 175.800 -0.168 0.000 1.087 501 F CA 2.029 59.831 58.000 -0.331 0.000 1.274 501 F CB -0.504 38.379 39.000 -0.194 0.000 1.009 501 F HN 0.106 nan 8.300 nan 0.000 0.485 502 T N -0.219 114.290 114.554 -0.075 0.000 2.881 502 T HA -0.168 2.761 4.350 -2.367 0.000 0.270 502 T C 1.708 176.376 174.700 -0.054 0.000 1.068 502 T CA 1.645 63.685 62.100 -0.100 0.000 1.131 502 T CB -0.244 68.546 68.868 -0.130 0.000 0.871 502 T HN 0.441 nan 8.240 nan 0.000 0.479 503 E N 0.453 120.600 120.200 -0.088 0.000 2.086 503 E HA 0.069 2.999 4.350 -2.367 0.000 0.190 503 E C 2.134 178.672 176.600 -0.104 0.000 0.975 503 E CA 0.565 56.934 56.400 -0.052 0.000 0.813 503 E CB -0.093 29.576 29.700 -0.052 0.000 0.768 503 E HN 0.469 nan 8.360 nan 0.000 0.457 504 I N 0.842 121.284 120.570 -0.213 0.000 2.361 504 I HA -0.297 2.452 4.170 -2.367 0.000 0.251 504 I C 2.251 178.251 176.117 -0.195 0.000 1.133 504 I CA 0.565 61.752 61.300 -0.188 0.000 1.413 504 I CB -0.360 37.509 38.000 -0.218 0.000 1.073 504 I HN 0.236 nan 8.210 nan 0.000 0.424 505 C N 0.707 119.814 119.300 -0.321 0.000 2.435 505 C HA -0.059 2.980 4.460 -2.367 0.000 0.279 505 C C 2.746 177.772 174.990 0.060 0.000 1.321 505 C CA 0.449 59.332 59.018 -0.224 0.000 1.752 505 C CB -0.708 26.809 27.740 -0.371 0.000 1.959 505 C HN 0.437 nan 8.230 nan 0.000 0.500 506 I N 0.434 121.058 120.570 0.091 0.000 2.193 506 I HA -0.222 2.527 4.170 -2.367 0.000 0.240 506 I C 2.765 178.894 176.117 0.020 0.000 1.084 506 I CA 1.436 62.797 61.300 0.102 0.000 1.365 506 I CB -0.735 37.322 38.000 0.095 0.000 1.064 506 I HN 0.389 nan 8.210 nan 0.000 0.410 507 Q N 0.645 120.435 119.800 -0.016 0.000 2.443 507 Q HA -0.281 2.639 4.340 -2.367 0.000 0.213 507 Q C 1.876 177.851 176.000 -0.041 0.000 0.982 507 Q CA 1.448 57.225 55.803 -0.043 0.000 0.894 507 Q CB 0.111 28.808 28.738 -0.069 0.000 0.947 507 Q HN 0.381 nan 8.270 nan 0.000 0.480 508 Q N -1.590 118.198 119.800 -0.021 0.000 2.352 508 Q HA 0.157 3.077 4.340 -2.367 0.000 0.212 508 Q C 0.769 176.762 176.000 -0.011 0.000 0.888 508 Q CA 1.002 56.797 55.803 -0.014 0.000 0.934 508 Q CB 0.904 29.627 28.738 -0.026 0.000 1.093 508 Q HN 0.498 nan 8.270 nan 0.000 0.523 509 G N -1.220 107.586 108.800 0.011 0.000 2.705 509 G HA2 -0.221 2.319 3.960 -2.367 0.000 0.193 509 G HA3 -0.221 2.319 3.960 -2.367 0.000 0.193 509 G C -0.499 174.433 174.900 0.053 0.000 1.015 509 G CA -0.355 44.750 45.100 0.008 0.000 0.743 509 G HN 0.245 nan 8.290 nan 0.000 0.476 510 W N 4.126 125.369 121.300 -0.096 0.000 2.343 510 W HA 0.484 3.720 4.660 -2.373 0.000 0.337 510 W C 0.408 176.903 176.519 -0.039 0.000 1.320 510 W CA 0.243 57.543 57.345 -0.075 0.000 1.290 510 W CB 0.462 29.872 29.460 -0.084 0.000 1.206 510 W HN 0.103 nan 8.180 nan 0.000 0.565 511 K N 6.538 126.565 120.400 -0.623 0.000 2.206 511 K HA 0.461 3.360 4.320 -2.367 0.000 0.268 511 K C 0.108 176.061 176.600 -1.079 0.000 1.111 511 K CA -0.447 55.473 56.287 -0.611 0.000 0.955 511 K CB 0.222 32.510 32.500 -0.352 0.000 1.406 511 K HN 0.473 nan 8.250 nan 0.000 0.427 512 A N 4.522 126.714 122.820 -1.046 0.000 2.484 512 A HA 0.127 3.027 4.320 -2.367 0.000 0.268 512 A C -1.201 176.061 177.584 -0.538 0.000 1.114 512 A CA -1.021 50.392 52.037 -1.039 0.000 0.780 512 A CB -0.117 18.720 19.000 -0.272 0.000 1.061 512 A HN 0.529 nan 8.150 nan 0.000 0.505 513 P HA -0.064 nan 4.420 nan 0.000 0.247 513 P C -0.104 177.062 177.300 -0.223 0.000 1.225 513 P CA -0.145 62.835 63.100 -0.201 0.000 0.768 513 P CB 0.052 31.721 31.700 -0.051 0.000 1.020 514 R N -0.728 119.482 120.500 -0.483 0.000 3.301 514 R HA -0.146 2.774 4.340 -2.367 0.000 0.249 514 R C 0.728 176.859 176.300 -0.282 0.000 0.964 514 R CA 1.072 56.674 56.100 -0.831 0.000 0.653 514 R CB -2.678 27.269 30.300 -0.588 0.000 1.043 514 R HN 0.397 nan 8.270 nan 0.000 0.454 515 G N -0.573 108.255 108.800 0.047 0.000 2.509 515 G HA2 0.415 2.954 3.960 -2.367 0.000 0.328 515 G HA3 0.415 2.954 3.960 -2.367 0.000 0.328 515 G C 0.791 175.817 174.900 0.211 0.000 1.194 515 G CA -0.374 44.805 45.100 0.133 0.000 0.967 515 G HN 0.178 nan 8.290 nan 0.000 0.488 516 R N -0.332 120.229 120.500 0.102 0.000 2.070 516 R HA 0.042 2.962 4.340 -2.367 0.000 0.233 516 R C 0.285 176.452 176.300 -0.221 0.000 1.137 516 R CA 1.339 57.394 56.100 -0.075 0.000 0.945 516 R CB -0.492 29.737 30.300 -0.117 0.000 0.845 516 R HN 0.357 nan 8.270 nan 0.000 0.430 517 F N 1.542 121.531 119.950 0.065 0.000 2.389 517 F HA 0.327 3.432 4.527 -2.369 0.000 0.327 517 F C -0.866 174.994 175.800 0.099 0.000 1.204 517 F CA -1.090 56.780 58.000 -0.218 0.000 1.209 517 F CB 0.762 39.375 39.000 -0.645 0.000 1.460 517 F HN -0.122 nan 8.300 nan 0.000 0.537 518 D N 1.542 122.212 120.400 0.450 0.000 2.232 518 D HA 0.222 3.442 4.640 -2.367 0.000 0.242 518 D C -0.045 176.574 176.300 0.533 0.000 1.093 518 D CA -0.185 54.114 54.000 0.499 0.000 0.845 518 D CB 2.497 43.640 40.800 0.572 0.000 1.124 518 D HN -0.002 nan 8.370 nan 0.000 0.467 519 V N 3.940 124.107 119.914 0.421 0.000 2.415 519 V HA 0.033 2.732 4.120 -2.367 0.000 0.267 519 V C 1.052 177.183 176.094 0.062 0.000 1.042 519 V CA -0.353 62.064 62.300 0.195 0.000 1.000 519 V CB -0.087 31.806 31.823 0.117 0.000 1.015 519 V HN 0.367 nan 8.190 nan 0.000 0.478 520 L N 8.451 129.609 121.223 -0.108 0.000 2.483 520 L HA 0.215 3.135 4.340 -2.367 0.000 0.277 520 L C -1.619 175.004 176.870 -0.412 0.000 1.248 520 L CA -0.925 53.666 54.840 -0.414 0.000 0.825 520 L CB 0.432 42.362 42.059 -0.216 0.000 1.096 520 L HN 0.467 nan 8.230 nan 0.000 0.512 521 P HA 0.253 nan 4.420 nan 0.000 0.285 521 P C -1.165 176.044 177.300 -0.151 0.000 1.269 521 P CA -0.622 62.234 63.100 -0.406 0.000 0.844 521 P CB 1.156 32.460 31.700 -0.661 0.000 1.094 522 L N 1.757 122.976 121.223 -0.006 0.000 2.349 522 L HA 0.337 3.256 4.340 -2.367 0.000 0.275 522 L C 0.683 177.613 176.870 0.100 0.000 1.115 522 L CA -0.487 54.413 54.840 0.100 0.000 0.820 522 L CB 0.350 42.511 42.059 0.170 0.000 1.135 522 L HN 0.263 nan 8.230 nan 0.000 0.445 523 L N 5.488 126.801 121.223 0.150 0.000 2.337 523 L HA 0.470 3.390 4.340 -2.367 0.000 0.269 523 L C -0.820 176.046 176.870 -0.006 0.000 1.018 523 L CA -0.370 54.481 54.840 0.018 0.000 0.876 523 L CB 0.864 42.964 42.059 0.068 0.000 1.236 523 L HN 0.527 nan 8.230 nan 0.000 0.436 524 L N 3.960 125.171 121.223 -0.020 0.000 2.317 524 L HA 0.514 3.433 4.340 -2.367 0.000 0.281 524 L C -0.268 176.516 176.870 -0.143 0.000 1.024 524 L CA -0.390 54.428 54.840 -0.037 0.000 0.810 524 L CB 1.832 43.897 42.059 0.009 0.000 1.240 524 L HN 0.540 nan 8.230 nan 0.000 0.427 525 Q N 2.340 122.069 119.800 -0.119 0.000 2.340 525 Q HA 0.764 3.684 4.340 -2.367 0.000 0.268 525 Q C -1.564 174.331 176.000 -0.175 0.000 1.031 525 Q CA -0.643 55.057 55.803 -0.171 0.000 0.804 525 Q CB 2.369 31.054 28.738 -0.088 0.000 1.286 525 Q HN 0.786 nan 8.270 nan 0.000 0.448 526 A N 3.905 126.546 122.820 -0.299 0.000 2.393 526 A HA 0.465 3.365 4.320 -2.367 0.000 0.306 526 A C -0.298 176.817 177.584 -0.782 0.000 1.050 526 A CA -0.521 51.109 52.037 -0.677 0.000 0.724 526 A CB 1.090 19.930 19.000 -0.266 0.000 1.248 526 A HN 0.970 nan 8.150 nan 0.000 0.424 527 N N 0.742 118.620 118.700 -1.371 0.000 2.714 527 N HA -0.210 3.110 4.740 -2.367 0.000 0.252 527 N C 1.065 176.443 175.510 -0.220 0.000 1.014 527 N CA 2.145 54.825 53.050 -0.617 0.000 0.735 527 N CB -0.841 37.414 38.487 -0.385 0.000 0.924 527 N HN 2.219 nan 8.380 nan 0.000 0.540 528 G N -1.056 107.647 108.800 -0.163 0.000 2.186 528 G HA2 -0.363 2.177 3.960 -2.367 0.000 0.266 528 G HA3 -0.363 2.177 3.960 -2.367 0.000 0.266 528 G C 0.431 175.363 174.900 0.053 0.000 0.982 528 G CA 0.770 45.882 45.100 0.020 0.000 0.670 528 G HN 0.615 nan 8.290 nan 0.000 0.533 529 N N 0.563 119.217 118.700 -0.076 0.000 2.405 529 N HA 0.341 3.661 4.740 -2.367 0.000 0.269 529 N C -0.169 175.267 175.510 -0.123 0.000 1.249 529 N CA -0.428 52.596 53.050 -0.042 0.000 0.974 529 N CB 0.289 38.732 38.487 -0.073 0.000 1.204 529 N HN 0.121 nan 8.380 nan 0.000 0.565 530 D N 1.088 121.435 120.400 -0.088 0.000 2.414 530 D HA 0.147 3.367 4.640 -2.367 0.000 0.242 530 D C -1.924 174.152 176.300 -0.374 0.000 1.129 530 D CA -0.461 53.391 54.000 -0.246 0.000 0.885 530 D CB 0.223 40.971 40.800 -0.087 0.000 1.198 530 D HN 0.243 nan 8.370 nan 0.000 0.437 531 P HA 0.140 nan 4.420 nan 0.000 0.275 531 P C -0.774 176.282 177.300 -0.408 0.000 1.228 531 P CA -0.285 62.431 63.100 -0.640 0.000 0.786 531 P CB 1.105 32.031 31.700 -1.291 0.000 0.927 532 E N 1.275 121.303 120.200 -0.288 0.000 2.221 532 E HA 0.487 3.416 4.350 -2.367 0.000 0.268 532 E C -0.411 175.968 176.600 -0.369 0.000 0.933 532 E CA -1.042 55.174 56.400 -0.306 0.000 0.809 532 E CB 1.609 31.136 29.700 -0.289 0.000 1.190 532 E HN 0.377 nan 8.360 nan 0.000 0.406 533 L N 2.012 122.924 121.223 -0.519 0.000 2.343 533 L HA 0.535 3.454 4.340 -2.367 0.000 0.275 533 L C -0.861 175.468 176.870 -0.902 0.000 1.056 533 L CA -0.396 54.157 54.840 -0.478 0.000 0.804 533 L CB 0.465 42.340 42.059 -0.306 0.000 1.203 533 L HN 0.475 nan 8.230 nan 0.000 0.440 534 F N 0.219 119.981 119.950 -0.314 0.000 2.619 534 F HA 0.319 2.944 4.527 -3.170 0.000 0.308 534 F C -0.347 175.273 175.800 -0.300 0.000 1.097 534 F CA -0.756 56.949 58.000 -0.493 0.000 0.953 534 F CB 2.007 40.473 39.000 -0.889 0.000 1.287 534 F HN 0.244 nan 8.300 nan 0.000 0.446 535 Q N 2.578 122.338 119.800 -0.066 0.000 2.368 535 Q HA 0.546 3.465 4.340 -2.367 0.000 0.263 535 Q C -0.840 175.299 176.000 0.232 0.000 1.009 535 Q CA -0.275 55.575 55.803 0.078 0.000 0.818 535 Q CB 0.912 29.710 28.738 0.100 0.000 1.239 535 Q HN 0.533 nan 8.270 nan 0.000 0.464 536 I N 6.148 126.882 120.570 0.273 0.000 2.752 536 I HA 0.017 2.766 4.170 -2.367 0.000 0.289 536 I C -1.803 174.441 176.117 0.210 0.000 1.197 536 I CA -1.375 60.107 61.300 0.303 0.000 1.432 536 I CB 0.302 38.387 38.000 0.142 0.000 1.359 536 I HN 0.503 nan 8.210 nan 0.000 0.571 537 P HA 0.002 nan 4.420 nan 0.000 0.260 537 P C -1.989 175.369 177.300 0.097 0.000 1.185 537 P CA -0.707 62.477 63.100 0.141 0.000 0.763 537 P CB 0.154 31.917 31.700 0.105 0.000 0.776 538 P HA -0.236 nan 4.420 nan 0.000 0.217 538 P C 1.380 178.717 177.300 0.061 0.000 1.148 538 P CA 1.397 64.546 63.100 0.081 0.000 0.834 538 P CB -0.192 31.559 31.700 0.085 0.000 0.783 539 E N -0.153 120.080 120.200 0.055 0.000 2.333 539 E HA -0.135 2.794 4.350 -2.367 0.000 0.198 539 E C 1.504 178.123 176.600 0.032 0.000 1.007 539 E CA 1.023 57.447 56.400 0.039 0.000 0.845 539 E CB -1.027 28.694 29.700 0.035 0.000 0.766 539 E HN 0.349 nan 8.360 nan 0.000 0.507 540 L N 0.810 122.054 121.223 0.035 0.000 2.607 540 L HA 0.171 3.091 4.340 -2.367 0.000 0.228 540 L C 0.389 177.275 176.870 0.027 0.000 1.123 540 L CA -0.160 54.694 54.840 0.025 0.000 0.890 540 L CB 0.855 42.922 42.059 0.012 0.000 1.103 540 L HN -0.144 nan 8.230 nan 0.000 0.468 541 V N 2.142 122.076 119.914 0.033 0.000 2.259 541 V HA 0.166 2.865 4.120 -2.367 0.000 0.267 541 V C -0.090 176.029 176.094 0.042 0.000 1.051 541 V CA -0.550 61.769 62.300 0.031 0.000 0.830 541 V CB 1.423 33.262 31.823 0.028 0.000 1.080 541 V HN 0.052 nan 8.190 nan 0.000 0.467 542 L N 5.861 127.110 121.223 0.043 0.000 2.369 542 L HA 0.404 3.324 4.340 -2.367 0.000 0.279 542 L C 0.207 177.098 176.870 0.035 0.000 1.108 542 L CA 0.795 55.651 54.840 0.027 0.000 0.852 542 L CB 0.096 42.165 42.059 0.017 0.000 1.169 542 L HN 0.623 nan 8.230 nan 0.000 0.452 543 E N 3.334 123.541 120.200 0.011 0.000 2.263 543 E HA 0.657 3.586 4.350 -2.367 0.000 0.264 543 E C -1.390 175.160 176.600 -0.084 0.000 0.923 543 E CA -1.043 55.366 56.400 0.015 0.000 0.802 543 E CB 2.474 32.218 29.700 0.075 0.000 1.228 543 E HN 0.387 nan 8.360 nan 0.000 0.417 544 V N 2.911 122.760 119.914 -0.108 0.000 2.483 544 V HA 0.335 3.035 4.120 -2.367 0.000 0.297 544 V C -2.376 173.688 176.094 -0.049 0.000 1.027 544 V CA -1.854 60.344 62.300 -0.170 0.000 0.855 544 V CB 1.637 33.195 31.823 -0.442 0.000 0.995 544 V HN 0.564 nan 8.190 nan 0.000 0.424 545 P HA 0.329 nan 4.420 nan 0.000 0.281 545 P C -0.885 176.449 177.300 0.056 0.000 1.252 545 P CA -0.240 62.857 63.100 -0.005 0.000 0.778 545 P CB 1.216 32.914 31.700 -0.003 0.000 0.895 546 I N 4.996 125.639 120.570 0.121 0.000 2.301 546 I HA 0.254 3.004 4.170 -2.367 0.000 0.292 546 I C 1.279 177.575 176.117 0.300 0.000 1.046 546 I CA -0.241 61.192 61.300 0.222 0.000 1.282 546 I CB -0.208 37.994 38.000 0.337 0.000 1.409 546 I HN 0.402 nan 8.210 nan 0.000 0.484 547 R N 5.367 125.995 120.500 0.213 0.000 2.854 547 R HA 0.513 3.433 4.340 -2.367 0.000 0.271 547 R C -0.931 175.360 176.300 -0.014 0.000 0.996 547 R CA -0.685 55.543 56.100 0.214 0.000 0.961 547 R CB 2.000 32.411 30.300 0.186 0.000 1.182 547 R HN 0.519 nan 8.270 nan 0.000 0.479 548 H N 1.583 120.453 119.070 -0.333 0.000 2.463 548 H HA 0.315 3.450 4.556 -2.367 0.000 0.332 548 H C -1.879 173.092 175.328 -0.596 0.000 1.127 548 H CA -2.067 53.571 56.048 -0.683 0.000 1.238 548 H CB 2.277 31.440 29.762 -0.998 0.000 1.478 548 H HN 0.315 nan 8.280 nan 0.000 0.499 549 P HA 0.078 nan 4.420 nan 0.000 0.242 549 P C 0.101 177.180 177.300 -0.369 0.000 1.197 549 P CA 0.940 63.425 63.100 -1.024 0.000 0.765 549 P CB 0.408 31.261 31.700 -1.411 0.000 0.936 550 K N -2.766 117.584 120.400 -0.084 0.000 2.603 550 K HA 0.207 3.107 4.320 -2.367 0.000 0.216 550 K C -0.090 176.523 176.600 0.021 0.000 1.562 550 K CA -0.047 56.176 56.287 -0.106 0.000 1.012 550 K CB 0.721 33.092 32.500 -0.215 0.000 1.280 550 K HN 0.068 nan 8.250 nan 0.000 0.620 551 F N 2.362 122.160 119.950 -0.254 0.000 2.307 551 F HA 0.222 3.329 4.527 -2.368 0.000 0.369 551 F C 0.525 176.075 175.800 -0.417 0.000 1.076 551 F CA -0.868 56.840 58.000 -0.487 0.000 1.149 551 F CB 0.996 39.323 39.000 -1.122 0.000 1.410 551 F HN -0.092 nan 8.300 nan 0.000 0.481 552 D N 2.652 123.087 120.400 0.059 0.000 2.392 552 D HA -0.131 3.088 4.640 -2.367 0.000 0.228 552 D C 1.646 178.022 176.300 0.128 0.000 1.003 552 D CA 0.797 54.849 54.000 0.087 0.000 0.917 552 D CB 0.151 41.026 40.800 0.124 0.000 0.890 552 D HN 0.695 nan 8.370 nan 0.000 0.532 553 W N -0.841 120.569 121.300 0.184 0.000 3.077 553 W HA 0.084 3.324 4.660 -2.367 0.000 0.266 553 W C 1.411 178.016 176.519 0.143 0.000 1.300 553 W CA -0.532 56.877 57.345 0.107 0.000 1.586 553 W CB -1.182 28.284 29.460 0.011 0.000 1.103 553 W HN -0.209 nan 8.180 nan 0.000 0.652 554 F N 3.234 122.880 119.950 -0.508 0.000 2.043 554 F HA -0.241 2.865 4.527 -2.368 0.000 0.297 554 F C 2.450 178.228 175.800 -0.037 0.000 1.121 554 F CA 3.040 60.797 58.000 -0.405 0.000 1.199 554 F CB -0.361 38.411 39.000 -0.379 0.000 0.968 554 F HN -0.248 nan 8.300 nan 0.000 0.478 555 K N -0.251 120.264 120.400 0.192 0.000 2.144 555 K HA -0.254 2.646 4.320 -2.367 0.000 0.209 555 K C 1.486 178.144 176.600 0.097 0.000 1.047 555 K CA 1.835 58.210 56.287 0.147 0.000 0.927 555 K CB -0.535 32.041 32.500 0.128 0.000 0.716 555 K HN 0.376 nan 8.250 nan 0.000 0.454 556 D N 0.626 121.093 120.400 0.111 0.000 2.350 556 D HA -0.092 3.128 4.640 -2.367 0.000 0.216 556 D C 1.484 177.827 176.300 0.072 0.000 0.968 556 D CA 0.758 54.821 54.000 0.104 0.000 0.894 556 D CB 0.048 40.935 40.800 0.144 0.000 0.909 556 D HN 0.092 nan 8.370 nan 0.000 0.520 557 L N 0.187 121.419 121.223 0.015 0.000 2.291 557 L HA 0.065 2.985 4.340 -2.367 0.000 0.214 557 L C 1.694 178.577 176.870 0.022 0.000 1.120 557 L CA 0.772 55.589 54.840 -0.038 0.000 0.799 557 L CB -0.879 41.027 42.059 -0.256 0.000 0.925 557 L HN 0.106 nan 8.230 nan 0.000 0.446 558 G N 0.069 108.897 108.800 0.046 0.000 2.295 558 G HA2 -0.270 2.269 3.960 -2.367 0.000 0.287 558 G HA3 -0.270 2.269 3.960 -2.367 0.000 0.287 558 G C 0.084 175.062 174.900 0.129 0.000 1.055 558 G CA 0.194 45.351 45.100 0.095 0.000 0.922 558 G HN 0.274 nan 8.290 nan 0.000 0.503 559 L N -0.610 120.631 121.223 0.031 0.000 2.334 559 L HA 0.839 3.758 4.340 -2.367 0.000 0.275 559 L C 0.530 177.272 176.870 -0.214 0.000 1.036 559 L CA -0.756 54.043 54.840 -0.069 0.000 0.807 559 L CB 1.873 43.849 42.059 -0.137 0.000 1.231 559 L HN 0.494 nan 8.230 nan 0.000 0.438 560 K N 1.328 121.385 120.400 -0.572 0.000 2.578 560 K HA 0.431 3.331 4.320 -2.367 0.000 0.269 560 K C -2.110 174.393 176.600 -0.162 0.000 0.941 560 K CA -0.985 55.105 56.287 -0.327 0.000 0.847 560 K CB 2.256 34.514 32.500 -0.404 0.000 1.397 560 K HN 0.613 nan 8.250 nan 0.000 0.422 561 W N 3.343 124.617 121.300 -0.044 0.000 3.032 561 W HA 0.419 3.662 4.660 -2.362 0.000 0.341 561 W C -1.048 175.572 176.519 0.168 0.000 1.202 561 W CA -0.917 56.483 57.345 0.093 0.000 1.132 561 W CB 1.677 31.040 29.460 -0.163 0.000 1.465 561 W HN 0.712 nan 8.180 nan 0.000 0.576 562 Y N -0.093 120.089 120.300 -0.197 0.000 2.326 562 Y HA 0.587 3.720 4.550 -2.361 0.000 0.324 562 Y C 0.988 177.070 175.900 0.302 0.000 1.291 562 Y CA -0.141 57.933 58.100 -0.043 0.000 1.348 562 Y CB 0.197 38.498 38.460 -0.265 0.000 1.294 562 Y HN 0.426 nan 8.280 nan 0.000 0.525 563 G N 0.365 109.414 108.800 0.415 0.000 2.796 563 G HA2 0.082 2.622 3.960 -2.367 0.000 0.210 563 G HA3 0.082 2.622 3.960 -2.367 0.000 0.210 563 G C -0.445 174.806 174.900 0.584 0.000 1.146 563 G CA -0.029 45.376 45.100 0.509 0.000 0.779 563 G HN 0.457 nan 8.290 nan 0.000 0.535 564 L N 2.874 124.385 121.223 0.480 0.000 2.264 564 L HA 0.464 3.383 4.340 -2.367 0.000 0.287 564 L C -2.263 174.748 176.870 0.236 0.000 1.039 564 L CA -2.734 52.289 54.840 0.306 0.000 0.829 564 L CB 1.524 43.682 42.059 0.166 0.000 1.211 564 L HN -0.151 nan 8.230 nan 0.000 0.427 565 P HA 0.352 nan 4.420 nan 0.000 0.292 565 P C -1.387 175.797 177.300 -0.193 0.000 1.326 565 P CA -0.392 62.540 63.100 -0.281 0.000 0.787 565 P CB 1.457 32.617 31.700 -0.900 0.000 0.903 566 A N 4.414 127.116 122.820 -0.197 0.000 2.745 566 A HA 0.378 3.278 4.320 -2.367 0.000 0.301 566 A C -0.293 177.028 177.584 -0.437 0.000 1.188 566 A CA -0.599 51.260 52.037 -0.296 0.000 0.746 566 A CB 0.591 19.455 19.000 -0.228 0.000 1.207 566 A HN 0.282 nan 8.150 nan 0.000 0.432 567 V N 2.559 122.060 119.914 -0.688 0.000 2.529 567 V HA 0.228 2.928 4.120 -2.367 0.000 0.292 567 V C 1.245 176.831 176.094 -0.848 0.000 1.028 567 V CA 1.326 63.161 62.300 -0.775 0.000 1.074 567 V CB 0.879 32.094 31.823 -1.014 0.000 0.958 567 V HN 1.100 nan 8.190 nan 0.000 0.481 568 S N 1.480 116.900 115.700 -0.466 0.000 2.787 568 S HA 0.055 3.105 4.470 -2.367 0.000 0.255 568 S C 0.813 175.311 174.600 -0.171 0.000 1.051 568 S CA -0.086 57.926 58.200 -0.313 0.000 1.124 568 S CB -0.083 62.977 63.200 -0.234 0.000 1.104 568 S HN 0.808 nan 8.310 nan 0.000 0.623 569 N N 1.220 119.823 118.700 -0.161 0.000 2.235 569 N HA 0.289 3.608 4.740 -2.367 0.000 0.209 569 N C 0.028 175.523 175.510 -0.025 0.000 1.122 569 N CA -0.269 52.721 53.050 -0.100 0.000 0.845 569 N CB -0.172 38.236 38.487 -0.132 0.000 1.004 569 N HN 0.392 nan 8.380 nan 0.000 0.499 570 M N 0.498 120.114 119.600 0.026 0.000 2.471 570 M HA 0.329 3.388 4.480 -2.367 0.000 0.309 570 M C -0.753 175.660 176.300 0.188 0.000 1.186 570 M CA -1.110 54.279 55.300 0.148 0.000 1.008 570 M CB 1.606 34.353 32.600 0.244 0.000 1.551 570 M HN 0.011 nan 8.290 nan 0.000 0.477 571 L N 2.884 124.227 121.223 0.200 0.000 2.333 571 L HA 0.581 3.501 4.340 -2.367 0.000 0.280 571 L C -1.669 175.327 176.870 0.210 0.000 1.004 571 L CA -0.833 54.118 54.840 0.184 0.000 0.820 571 L CB 1.183 43.303 42.059 0.102 0.000 1.247 571 L HN 0.609 nan 8.230 nan 0.000 0.416 572 L N 4.450 125.813 121.223 0.235 0.000 2.265 572 L HA 0.519 3.439 4.340 -2.367 0.000 0.288 572 L C -0.183 176.747 176.870 0.099 0.000 1.058 572 L CA 0.262 55.158 54.840 0.094 0.000 0.809 572 L CB 0.868 42.970 42.059 0.071 0.000 1.179 572 L HN 0.894 nan 8.230 nan 0.000 0.429 573 E N 6.087 126.249 120.200 -0.063 0.000 2.133 573 E HA 0.499 3.428 4.350 -2.367 0.000 0.274 573 E C -1.440 175.073 176.600 -0.145 0.000 0.930 573 E CA -0.480 55.888 56.400 -0.053 0.000 0.770 573 E CB 0.894 30.544 29.700 -0.082 0.000 1.104 573 E HN 0.716 nan 8.360 nan 0.000 0.403 574 I N 4.022 124.524 120.570 -0.113 0.000 2.468 574 I HA 0.323 3.073 4.170 -2.367 0.000 0.285 574 I C 0.617 176.479 176.117 -0.425 0.000 1.039 574 I CA -0.744 60.321 61.300 -0.391 0.000 1.074 574 I CB 1.956 39.716 38.000 -0.400 0.000 1.228 574 I HN 0.904 nan 8.210 nan 0.000 0.436 575 G N 4.254 112.745 108.800 -0.516 0.000 2.356 575 G HA2 -0.110 2.429 3.960 -2.367 0.000 0.296 575 G HA3 -0.110 2.429 3.960 -2.367 0.000 0.296 575 G C 1.007 175.956 174.900 0.081 0.000 1.022 575 G CA 0.754 45.793 45.100 -0.102 0.000 0.961 575 G HN 1.508 nan 8.290 nan 0.000 0.510 576 G N -1.869 106.931 108.800 0.000 0.000 2.268 576 G HA2 -0.237 2.302 3.960 -2.367 0.000 0.240 576 G HA3 -0.237 2.302 3.960 -2.367 0.000 0.240 576 G C 0.587 175.469 174.900 -0.030 0.000 1.010 576 G CA 0.438 45.554 45.100 0.028 0.000 0.618 576 G HN 1.352 nan 8.290 nan 0.000 0.516 577 L N 1.155 122.318 121.223 -0.101 0.000 2.417 577 L HA 0.527 3.447 4.340 -2.367 0.000 0.268 577 L C 0.280 176.976 176.870 -0.291 0.000 1.158 577 L CA -0.227 54.445 54.840 -0.280 0.000 0.819 577 L CB 0.816 42.587 42.059 -0.479 0.000 1.112 577 L HN 0.213 nan 8.230 nan 0.000 0.458 578 E N 3.056 123.033 120.200 -0.372 0.000 2.145 578 E HA 0.310 3.240 4.350 -2.367 0.000 0.262 578 E C -1.429 174.999 176.600 -0.287 0.000 0.883 578 E CA -0.347 55.922 56.400 -0.217 0.000 0.748 578 E CB 1.174 30.809 29.700 -0.108 0.000 1.140 578 E HN 0.289 nan 8.360 nan 0.000 0.417 579 F N 1.999 121.929 119.950 -0.033 0.000 2.351 579 F HA 0.082 3.187 4.527 -2.370 0.000 0.362 579 F C 1.593 177.426 175.800 0.056 0.000 1.131 579 F CA -0.564 57.437 58.000 0.000 0.000 1.187 579 F CB 0.808 39.791 39.000 -0.029 0.000 1.434 579 F HN 0.387 nan 8.300 nan 0.000 0.553 580 S N 0.964 116.774 115.700 0.184 0.000 2.547 580 S HA 0.167 3.216 4.470 -2.367 0.000 0.235 580 S C 0.813 175.524 174.600 0.184 0.000 0.980 580 S CA 0.305 58.598 58.200 0.154 0.000 0.941 580 S CB -0.095 63.170 63.200 0.109 0.000 0.763 580 S HN 0.498 nan 8.310 nan 0.000 0.532 581 A N 0.894 123.868 122.820 0.257 0.000 2.466 581 A HA 0.574 3.474 4.320 -2.367 0.000 0.291 581 A C -0.089 177.703 177.584 0.347 0.000 1.234 581 A CA -0.655 51.550 52.037 0.281 0.000 0.752 581 A CB 0.189 19.376 19.000 0.312 0.000 1.153 581 A HN 0.953 nan 8.150 nan 0.000 0.458 582 C N 0.638 120.098 119.300 0.267 0.000 3.246 582 C HA 0.464 3.504 4.460 -2.367 0.000 0.204 582 C C -2.628 172.491 174.990 0.215 0.000 1.879 582 C CA -1.967 57.195 59.018 0.240 0.000 1.318 582 C CB -0.340 27.565 27.740 0.275 0.000 2.288 582 C HN 0.565 nan 8.230 nan 0.000 0.530 583 P HA 0.176 nan 4.420 nan 0.000 0.261 583 P C -0.579 176.708 177.300 -0.022 0.000 1.173 583 P CA 1.203 64.238 63.100 -0.108 0.000 0.760 583 P CB 0.214 31.816 31.700 -0.164 0.000 0.783 584 F N 0.307 120.159 119.950 -0.164 0.000 2.576 584 F HA 0.772 3.880 4.527 -2.365 0.000 0.313 584 F C -0.594 175.099 175.800 -0.178 0.000 1.078 584 F CA -1.226 56.695 58.000 -0.132 0.000 0.921 584 F CB 1.710 40.510 39.000 -0.333 0.000 1.232 584 F HN 0.395 nan 8.300 nan 0.000 0.459 585 S N 0.667 116.449 115.700 0.137 0.000 2.579 585 S HA 0.975 4.025 4.470 -2.367 0.000 0.272 585 S C -0.772 173.791 174.600 -0.063 0.000 1.141 585 S CA -0.149 58.057 58.200 0.010 0.000 0.843 585 S CB 1.555 64.835 63.200 0.132 0.000 1.122 585 S HN 1.560 nan 8.310 nan 0.000 0.468 586 G N -0.101 108.611 108.800 -0.147 0.000 3.321 586 G HA2 0.694 3.234 3.960 -2.367 0.000 0.169 586 G HA3 0.694 3.234 3.960 -2.367 0.000 0.169 586 G C -1.795 173.074 174.900 -0.052 0.000 1.153 586 G CA -0.208 44.739 45.100 -0.255 0.000 1.007 586 G HN 1.255 nan 8.290 nan 0.000 0.668 587 W N -0.934 120.384 121.300 0.030 0.000 3.127 587 W HA 0.800 4.039 4.660 -2.368 0.000 0.330 587 W C -1.445 175.100 176.519 0.044 0.000 1.187 587 W CA -2.365 55.018 57.345 0.063 0.000 1.198 587 W CB 0.302 29.834 29.460 0.120 0.000 1.408 587 W HN 0.491 nan 8.180 nan 0.000 0.529 588 Y N 3.004 123.473 120.300 0.283 0.000 2.597 588 Y HA 0.131 3.261 4.550 -2.368 0.000 0.336 588 Y C 1.037 176.986 175.900 0.081 0.000 1.216 588 Y CA -0.060 58.095 58.100 0.092 0.000 1.463 588 Y CB 0.907 39.331 38.460 -0.061 0.000 1.303 588 Y HN 0.448 nan 8.280 nan 0.000 0.576 589 M N 2.984 122.725 119.600 0.234 0.000 2.238 589 M HA 0.297 3.356 4.480 -2.367 0.000 0.350 589 M C 1.181 177.484 176.300 0.005 0.000 1.138 589 M CA -0.020 55.353 55.300 0.121 0.000 1.040 589 M CB 1.183 33.834 32.600 0.084 0.000 1.639 589 M HN 0.903 nan 8.290 nan 0.000 0.451 590 G N 1.710 110.476 108.800 -0.057 0.000 2.649 590 G HA2 -0.360 2.180 3.960 -2.367 0.000 0.220 590 G HA3 -0.360 2.180 3.960 -2.367 0.000 0.220 590 G C 1.185 175.962 174.900 -0.205 0.000 1.189 590 G CA 2.012 47.011 45.100 -0.168 0.000 0.777 590 G HN 0.891 nan 8.290 nan 0.000 0.602 591 T N -0.733 113.741 114.554 -0.135 0.000 2.778 591 T HA -0.168 2.761 4.350 -2.367 0.000 0.269 591 T C 2.022 176.583 174.700 -0.233 0.000 1.050 591 T CA 1.940 63.917 62.100 -0.206 0.000 1.137 591 T CB -0.238 68.478 68.868 -0.254 0.000 0.860 591 T HN 0.353 nan 8.240 nan 0.000 0.468 592 E N 1.526 121.612 120.200 -0.190 0.000 2.118 592 E HA -0.078 2.851 4.350 -2.367 0.000 0.195 592 E C 1.835 178.208 176.600 -0.378 0.000 0.992 592 E CA 1.366 57.661 56.400 -0.175 0.000 0.804 592 E CB -0.530 29.193 29.700 0.039 0.000 0.741 592 E HN 0.781 nan 8.360 nan 0.000 0.458 593 I N -1.248 118.943 120.570 -0.632 0.000 2.556 593 I HA 0.103 2.852 4.170 -2.367 0.000 0.251 593 I C 2.393 177.980 176.117 -0.884 0.000 1.105 593 I CA 0.662 61.299 61.300 -1.104 0.000 1.436 593 I CB -0.662 36.445 38.000 -1.488 0.000 1.139 593 I HN 0.178 nan 8.210 nan 0.000 0.438 594 G N 1.034 109.519 108.800 -0.525 0.000 2.459 594 G HA2 -0.237 2.302 3.960 -2.367 0.000 0.217 594 G HA3 -0.237 2.302 3.960 -2.367 0.000 0.217 594 G C 1.758 176.601 174.900 -0.096 0.000 1.183 594 G CA 1.514 46.492 45.100 -0.203 0.000 0.776 594 G HN 0.325 nan 8.290 nan 0.000 0.552 595 V N -0.750 119.069 119.914 -0.159 0.000 2.575 595 V HA 0.217 2.917 4.120 -2.367 0.000 0.242 595 V C 2.593 178.621 176.094 -0.109 0.000 1.045 595 V CA 1.092 63.327 62.300 -0.109 0.000 1.065 595 V CB -0.154 31.582 31.823 -0.145 0.000 0.717 595 V HN 0.143 nan 8.190 nan 0.000 0.467 596 R N 0.750 121.150 120.500 -0.168 0.000 2.052 596 R HA 0.032 2.951 4.340 -2.367 0.000 0.226 596 R C 2.135 178.365 176.300 -0.116 0.000 1.145 596 R CA 1.912 57.930 56.100 -0.138 0.000 0.952 596 R CB -1.322 28.884 30.300 -0.156 0.000 0.847 596 R HN 0.577 nan 8.270 nan 0.000 0.431 597 D N 0.023 120.265 120.400 -0.263 0.000 2.097 597 D HA -0.142 3.078 4.640 -2.367 0.000 0.197 597 D C 2.112 178.386 176.300 -0.042 0.000 0.984 597 D CA 1.265 55.091 54.000 -0.290 0.000 0.826 597 D CB -0.175 40.044 40.800 -0.969 0.000 0.973 597 D HN 0.336 nan 8.370 nan 0.000 0.460 598 Y N 0.027 120.205 120.300 -0.203 0.000 2.243 598 Y HA -0.090 3.039 4.550 -2.368 0.000 0.293 598 Y C 2.619 178.554 175.900 0.060 0.000 1.124 598 Y CA 0.263 58.337 58.100 -0.045 0.000 1.159 598 Y CB 0.232 38.644 38.460 -0.080 0.000 1.008 598 Y HN 0.043 nan 8.280 nan 0.000 0.527 599 C N -1.034 118.370 119.300 0.175 0.000 2.791 599 C HA 0.098 3.138 4.460 -2.367 0.000 0.288 599 C C 0.419 175.454 174.990 0.076 0.000 1.271 599 C CA -0.721 58.367 59.018 0.118 0.000 1.726 599 C CB -0.752 27.033 27.740 0.075 0.000 2.145 599 C HN 0.276 nan 8.230 nan 0.000 0.572 600 D N 1.566 121.997 120.400 0.052 0.000 2.571 600 D HA -0.050 3.170 4.640 -2.367 0.000 0.231 600 D C 0.964 177.299 176.300 0.058 0.000 1.133 600 D CA 0.589 54.608 54.000 0.032 0.000 0.862 600 D CB 0.335 41.150 40.800 0.025 0.000 1.179 600 D HN 0.196 nan 8.370 nan 0.000 0.474 601 N N 0.578 119.300 118.700 0.038 0.000 2.104 601 N HA -0.151 3.169 4.740 -2.367 0.000 0.190 601 N C 1.178 176.716 175.510 0.047 0.000 1.024 601 N CA 1.186 54.262 53.050 0.043 0.000 0.853 601 N CB 0.160 38.664 38.487 0.028 0.000 1.008 601 N HN 0.165 nan 8.380 nan 0.000 0.424 602 S N -0.170 115.556 115.700 0.043 0.000 2.603 602 S HA 0.170 3.220 4.470 -2.367 0.000 0.220 602 S C 0.889 175.525 174.600 0.060 0.000 0.967 602 S CA 0.009 58.235 58.200 0.044 0.000 0.920 602 S CB 0.224 63.448 63.200 0.039 0.000 0.773 602 S HN 0.215 nan 8.310 nan 0.000 0.529 603 R N -0.093 120.463 120.500 0.093 0.000 2.120 603 R HA 0.320 3.239 4.340 -2.367 0.000 0.117 603 R C 0.974 177.355 176.300 0.136 0.000 1.688 603 R CA -0.152 56.043 56.100 0.159 0.000 1.540 603 R CB -1.140 29.300 30.300 0.233 0.000 1.245 603 R HN 0.198 nan 8.270 nan 0.000 0.482 604 Y N 1.340 121.734 120.300 0.157 0.000 2.509 604 Y HA -0.046 3.083 4.550 -2.369 0.000 0.293 604 Y C 0.632 176.593 175.900 0.101 0.000 1.133 604 Y CA 0.739 58.930 58.100 0.152 0.000 1.283 604 Y CB -0.572 38.042 38.460 0.256 0.000 1.001 604 Y HN 0.504 nan 8.280 nan 0.000 0.555 605 N N 0.661 119.485 118.700 0.208 0.000 2.698 605 N HA -0.235 3.085 4.740 -2.367 0.000 0.258 605 N C 0.587 176.180 175.510 0.139 0.000 0.978 605 N CA 0.721 53.855 53.050 0.140 0.000 0.777 605 N CB -1.162 37.378 38.487 0.088 0.000 0.907 605 N HN 0.617 nan 8.380 nan 0.000 0.543 606 I N -3.477 117.190 120.570 0.161 0.000 3.578 606 I HA 0.018 2.768 4.170 -2.367 0.000 0.295 606 I C 1.619 177.816 176.117 0.133 0.000 1.280 606 I CA -0.063 61.309 61.300 0.120 0.000 1.347 606 I CB -0.145 37.894 38.000 0.064 0.000 1.051 606 I HN 0.209 nan 8.210 nan 0.000 0.460 607 L N 1.319 122.645 121.223 0.171 0.000 2.013 607 L HA -0.241 2.678 4.340 -2.367 0.000 0.212 607 L C 2.735 179.791 176.870 0.309 0.000 1.073 607 L CA 1.982 56.970 54.840 0.245 0.000 0.753 607 L CB -0.635 41.562 42.059 0.231 0.000 0.890 607 L HN 0.402 nan 8.230 nan 0.000 0.432 608 E N -0.090 120.262 120.200 0.253 0.000 2.085 608 E HA -0.264 2.666 4.350 -2.367 0.000 0.194 608 E C 2.004 178.614 176.600 0.018 0.000 0.994 608 E CA 1.800 58.284 56.400 0.141 0.000 0.801 608 E CB 0.088 29.843 29.700 0.092 0.000 0.743 608 E HN 0.610 nan 8.360 nan 0.000 0.453 609 E N -0.150 120.070 120.200 0.034 0.000 2.046 609 E HA -0.138 2.791 4.350 -2.367 0.000 0.190 609 E C 2.239 178.836 176.600 -0.006 0.000 0.982 609 E CA 1.222 57.614 56.400 -0.014 0.000 0.800 609 E CB -0.125 29.574 29.700 -0.001 0.000 0.756 609 E HN 0.091 nan 8.360 nan 0.000 0.449 610 V N 1.954 121.916 119.914 0.079 0.000 2.392 610 V HA -0.313 2.387 4.120 -2.367 0.000 0.249 610 V C 2.448 178.634 176.094 0.155 0.000 1.059 610 V CA 1.887 64.291 62.300 0.173 0.000 1.051 610 V CB -0.889 31.080 31.823 0.243 0.000 0.658 610 V HN 0.377 nan 8.190 nan 0.000 0.455 611 A N -0.095 122.799 122.820 0.124 0.000 1.845 611 A HA -0.242 2.658 4.320 -2.367 0.000 0.215 611 A C 2.227 179.734 177.584 -0.128 0.000 1.195 611 A CA 2.090 54.166 52.037 0.064 0.000 0.616 611 A CB -0.551 18.438 19.000 -0.019 0.000 0.832 611 A HN 0.517 nan 8.150 nan 0.000 0.443 612 K N -0.095 120.180 120.400 -0.208 0.000 2.005 612 K HA -0.280 2.620 4.320 -2.367 0.000 0.229 612 K C 1.938 178.329 176.600 -0.347 0.000 1.050 612 K CA 2.268 58.397 56.287 -0.264 0.000 0.994 612 K CB -0.420 31.942 32.500 -0.230 0.000 0.736 612 K HN 0.440 nan 8.250 nan 0.000 0.448 613 K N 0.233 120.351 120.400 -0.469 0.000 2.304 613 K HA -0.176 2.724 4.320 -2.367 0.000 0.204 613 K C 1.891 177.870 176.600 -1.035 0.000 1.044 613 K CA 1.494 57.225 56.287 -0.927 0.000 0.932 613 K CB -0.211 31.428 32.500 -1.435 0.000 0.735 613 K HN 0.317 nan 8.250 nan 0.000 0.468 614 M N 0.447 119.724 119.600 -0.538 0.000 2.561 614 M HA -0.020 3.039 4.480 -2.367 0.000 0.238 614 M C -0.447 175.703 176.300 -0.250 0.000 1.131 614 M CA 0.097 55.198 55.300 -0.332 0.000 1.046 614 M CB -0.104 32.505 32.600 0.014 0.000 1.532 614 M HN 0.038 nan 8.290 nan 0.000 0.497 615 D N 2.414 122.644 120.400 -0.283 0.000 3.038 615 D HA -0.143 3.076 4.640 -2.367 0.000 0.229 615 D C -1.605 174.616 176.300 -0.132 0.000 1.182 615 D CA 0.477 54.350 54.000 -0.211 0.000 0.852 615 D CB -0.398 40.279 40.800 -0.206 0.000 0.932 615 D HN 0.230 nan 8.370 nan 0.000 0.406 616 L N -0.087 121.059 121.223 -0.127 0.000 2.393 616 L HA 0.649 3.568 4.340 -2.367 0.000 0.260 616 L C -0.066 176.730 176.870 -0.125 0.000 1.002 616 L CA -1.311 53.488 54.840 -0.068 0.000 0.818 616 L CB 1.110 43.184 42.059 0.025 0.000 1.369 616 L HN -0.074 nan 8.230 nan 0.000 0.412 617 D N 1.653 122.014 120.400 -0.066 0.000 2.356 617 D HA 0.167 3.387 4.640 -2.367 0.000 0.272 617 D C 0.313 176.513 176.300 -0.166 0.000 1.337 617 D CA 0.652 54.599 54.000 -0.088 0.000 0.970 617 D CB 0.441 41.235 40.800 -0.010 0.000 1.092 617 D HN 0.638 nan 8.370 nan 0.000 0.516 618 M N 2.943 122.300 119.600 -0.405 0.000 2.493 618 M HA 0.166 3.226 4.480 -2.367 0.000 0.244 618 M C 1.548 177.693 176.300 -0.257 0.000 1.182 618 M CA -0.147 54.660 55.300 -0.821 0.000 0.981 618 M CB 0.393 32.285 32.600 -1.179 0.000 1.551 618 M HN 0.283 nan 8.290 nan 0.000 0.476 619 R N 1.674 122.123 120.500 -0.085 0.000 2.075 619 R HA 0.012 2.931 4.340 -2.367 0.000 0.226 619 R C 0.449 176.802 176.300 0.087 0.000 1.114 619 R CA 0.901 56.999 56.100 -0.003 0.000 0.972 619 R CB 0.142 30.435 30.300 -0.012 0.000 0.869 619 R HN 0.330 nan 8.270 nan 0.000 0.437 620 K N 0.187 120.671 120.400 0.140 0.000 2.345 620 K HA 0.229 3.128 4.320 -2.367 0.000 0.255 620 K C 0.505 177.243 176.600 0.229 0.000 0.934 620 K CA -0.333 56.047 56.287 0.154 0.000 0.801 620 K CB 1.981 34.538 32.500 0.095 0.000 1.137 620 K HN -0.132 nan 8.250 nan 0.000 0.424 621 T N -1.246 113.409 114.554 0.167 0.000 2.803 621 T HA -0.255 2.675 4.350 -2.367 0.000 0.269 621 T C 1.906 176.625 174.700 0.032 0.000 1.052 621 T CA 1.851 63.995 62.100 0.073 0.000 1.136 621 T CB -0.515 68.357 68.868 0.006 0.000 0.864 621 T HN 0.697 nan 8.240 nan 0.000 0.467 622 S N 1.748 117.481 115.700 0.053 0.000 2.584 622 S HA -0.080 2.970 4.470 -2.367 0.000 0.240 622 S C 2.044 176.679 174.600 0.058 0.000 0.975 622 S CA 1.040 59.263 58.200 0.038 0.000 0.949 622 S CB -1.034 62.188 63.200 0.037 0.000 0.761 622 S HN 0.827 nan 8.310 nan 0.000 0.536 623 S N 1.260 117.027 115.700 0.111 0.000 2.528 623 S HA 0.256 3.305 4.470 -2.367 0.000 0.219 623 S C 0.960 175.632 174.600 0.120 0.000 0.985 623 S CA 0.208 58.492 58.200 0.141 0.000 0.914 623 S CB -0.929 62.411 63.200 0.233 0.000 0.776 623 S HN 0.697 nan 8.310 nan 0.000 0.526 624 L N 1.163 122.408 121.223 0.037 0.000 3.634 624 L HA -0.163 2.757 4.340 -2.367 0.000 0.423 624 L C 1.447 178.325 176.870 0.014 0.000 1.253 624 L CA 0.731 55.546 54.840 -0.042 0.000 0.885 624 L CB -2.421 39.636 42.059 -0.004 0.000 1.789 624 L HN 0.767 nan 8.230 nan 0.000 0.904 625 W N -0.330 120.989 121.300 0.032 0.000 2.467 625 W HA -0.042 3.197 4.660 -2.368 0.000 0.275 625 W C 1.660 178.209 176.519 0.051 0.000 1.239 625 W CA 0.836 58.205 57.345 0.040 0.000 1.266 625 W CB -0.511 28.966 29.460 0.028 0.000 1.112 625 W HN 0.259 nan 8.180 nan 0.000 0.576 626 K N 1.203 121.214 120.400 -0.649 0.000 2.057 626 K HA -0.133 2.767 4.320 -2.367 0.000 0.206 626 K C 1.486 177.989 176.600 -0.162 0.000 1.050 626 K CA 2.204 58.150 56.287 -0.569 0.000 0.935 626 K CB -0.318 31.668 32.500 -0.856 0.000 0.715 626 K HN 0.011 nan 8.250 nan 0.000 0.439 627 D N 0.806 121.114 120.400 -0.154 0.000 2.097 627 D HA -0.193 3.026 4.640 -2.367 0.000 0.195 627 D C 2.015 178.337 176.300 0.036 0.000 0.989 627 D CA 1.142 55.110 54.000 -0.053 0.000 0.827 627 D CB -0.056 40.714 40.800 -0.050 0.000 0.966 627 D HN 0.135 nan 8.370 nan 0.000 0.456 628 Q N 0.256 120.108 119.800 0.085 0.000 2.045 628 Q HA -0.202 2.718 4.340 -2.367 0.000 0.206 628 Q C 2.072 178.193 176.000 0.202 0.000 0.991 628 Q CA 2.032 57.927 55.803 0.153 0.000 0.851 628 Q CB -0.265 28.592 28.738 0.198 0.000 0.911 628 Q HN 0.300 nan 8.270 nan 0.000 0.418 629 A N 0.208 123.176 122.820 0.247 0.000 1.851 629 A HA -0.214 2.686 4.320 -2.367 0.000 0.216 629 A C 2.032 179.757 177.584 0.235 0.000 1.195 629 A CA 1.536 53.750 52.037 0.295 0.000 0.622 629 A CB -1.146 18.059 19.000 0.341 0.000 0.831 629 A HN 0.491 nan 8.150 nan 0.000 0.444 630 L N 0.207 121.521 121.223 0.153 0.000 2.011 630 L HA -0.263 2.657 4.340 -2.367 0.000 0.225 630 L C 2.460 179.396 176.870 0.109 0.000 1.084 630 L CA 2.664 57.567 54.840 0.105 0.000 0.791 630 L CB -0.665 41.411 42.059 0.028 0.000 0.898 630 L HN 0.239 nan 8.230 nan 0.000 0.440 631 V N -0.415 119.559 119.914 0.100 0.000 2.252 631 V HA -0.317 2.383 4.120 -2.367 0.000 0.249 631 V C 2.622 178.784 176.094 0.114 0.000 1.056 631 V CA 2.119 64.476 62.300 0.095 0.000 1.022 631 V CB -0.967 30.912 31.823 0.093 0.000 0.641 631 V HN 0.499 nan 8.190 nan 0.000 0.445 632 E N 0.022 120.330 120.200 0.180 0.000 2.077 632 E HA -0.152 2.777 4.350 -2.367 0.000 0.193 632 E C 2.185 178.912 176.600 0.212 0.000 0.989 632 E CA 1.401 57.941 56.400 0.233 0.000 0.800 632 E CB -0.408 29.500 29.700 0.347 0.000 0.746 632 E HN 0.608 nan 8.360 nan 0.000 0.452 633 I N 1.299 122.048 120.570 0.297 0.000 2.208 633 I HA -0.300 2.450 4.170 -2.367 0.000 0.245 633 I C 1.531 177.748 176.117 0.167 0.000 1.097 633 I CA 1.223 62.731 61.300 0.348 0.000 1.363 633 I CB -0.327 37.879 38.000 0.344 0.000 1.051 633 I HN 0.053 nan 8.210 nan 0.000 0.413 634 N N 0.195 118.949 118.700 0.090 0.000 2.457 634 N HA -0.037 3.283 4.740 -2.367 0.000 0.180 634 N C 1.649 177.142 175.510 -0.028 0.000 1.050 634 N CA 0.590 53.652 53.050 0.020 0.000 0.906 634 N CB 0.124 38.615 38.487 0.008 0.000 0.968 634 N HN 0.211 nan 8.380 nan 0.000 0.445 635 I N 0.648 121.169 120.570 -0.081 0.000 2.233 635 I HA -0.078 2.671 4.170 -2.367 0.000 0.243 635 I C 2.221 178.166 176.117 -0.287 0.000 1.093 635 I CA 0.729 61.908 61.300 -0.201 0.000 1.380 635 I CB -1.350 36.442 38.000 -0.347 0.000 1.067 635 I HN 0.087 nan 8.210 nan 0.000 0.413 636 A N 0.504 123.077 122.820 -0.412 0.000 1.972 636 A HA -0.132 2.768 4.320 -2.367 0.000 0.219 636 A C 2.546 180.094 177.584 -0.060 0.000 1.169 636 A CA 1.658 53.440 52.037 -0.426 0.000 0.635 636 A CB -0.824 17.676 19.000 -0.834 0.000 0.810 636 A HN 0.246 nan 8.150 nan 0.000 0.446 637 V N -0.016 119.899 119.914 0.002 0.000 2.255 637 V HA -0.222 2.477 4.120 -2.367 0.000 0.243 637 V C 2.548 178.658 176.094 0.028 0.000 1.038 637 V CA 1.897 64.225 62.300 0.047 0.000 1.008 637 V CB -0.787 30.989 31.823 -0.077 0.000 0.645 637 V HN 0.580 nan 8.190 nan 0.000 0.449 638 L N -1.119 120.081 121.223 -0.038 0.000 2.079 638 L HA -0.247 2.673 4.340 -2.367 0.000 0.210 638 L C 2.505 179.410 176.870 0.058 0.000 1.081 638 L CA 2.029 56.858 54.840 -0.018 0.000 0.752 638 L CB -0.761 41.285 42.059 -0.022 0.000 0.896 638 L HN 0.437 nan 8.230 nan 0.000 0.433 639 Y N 0.754 120.998 120.300 -0.093 0.000 2.114 639 Y HA -0.283 2.847 4.550 -2.367 0.000 0.284 639 Y C 2.811 178.690 175.900 -0.035 0.000 1.143 639 Y CA 1.741 59.775 58.100 -0.111 0.000 1.135 639 Y CB -0.391 37.921 38.460 -0.247 0.000 0.980 639 Y HN 0.070 nan 8.280 nan 0.000 0.499 640 S N 0.276 115.915 115.700 -0.103 0.000 2.348 640 S HA -0.191 2.859 4.470 -2.367 0.000 0.221 640 S C 1.837 176.383 174.600 -0.090 0.000 1.033 640 S CA 1.530 59.639 58.200 -0.151 0.000 1.010 640 S CB -0.911 62.318 63.200 0.049 0.000 0.891 640 S HN 0.431 nan 8.310 nan 0.000 0.442 641 F N 2.175 122.051 119.950 -0.124 0.000 2.091 641 F HA -0.207 2.899 4.527 -2.368 0.000 0.299 641 F C 2.691 178.422 175.800 -0.114 0.000 1.103 641 F CA 1.485 59.436 58.000 -0.082 0.000 1.228 641 F CB -0.790 38.188 39.000 -0.037 0.000 0.984 641 F HN 0.270 nan 8.300 nan 0.000 0.477 642 Q N -0.868 118.954 119.800 0.038 0.000 2.084 642 Q HA -0.150 2.770 4.340 -2.367 0.000 0.202 642 Q C 2.254 178.173 176.000 -0.135 0.000 0.978 642 Q CA 1.760 57.534 55.803 -0.048 0.000 0.844 642 Q CB -0.464 28.243 28.738 -0.052 0.000 0.898 642 Q HN 0.278 nan 8.270 nan 0.000 0.426 643 S N 1.093 116.638 115.700 -0.260 0.000 2.447 643 S HA -0.088 2.962 4.470 -2.367 0.000 0.233 643 S C 0.701 175.187 174.600 -0.189 0.000 1.006 643 S CA 1.010 59.040 58.200 -0.283 0.000 0.957 643 S CB 0.023 62.922 63.200 -0.503 0.000 0.773 643 S HN 0.302 nan 8.310 nan 0.000 0.507 644 D N 0.588 120.882 120.400 -0.177 0.000 2.363 644 D HA 0.189 3.409 4.640 -2.367 0.000 0.214 644 D C -0.007 176.220 176.300 -0.121 0.000 1.093 644 D CA 0.032 53.942 54.000 -0.150 0.000 0.837 644 D CB 0.025 40.712 40.800 -0.189 0.000 0.948 644 D HN 0.202 nan 8.370 nan 0.000 0.507 645 K N -0.124 120.215 120.400 -0.101 0.000 3.077 645 K HA -0.144 2.756 4.320 -2.367 0.000 0.264 645 K C -0.724 175.840 176.600 -0.060 0.000 1.008 645 K CA 0.126 56.369 56.287 -0.072 0.000 0.740 645 K CB -1.358 31.102 32.500 -0.066 0.000 1.273 645 K HN 0.039 nan 8.250 nan 0.000 0.477 646 V N 0.861 120.745 119.914 -0.050 0.000 2.547 646 V HA 0.178 2.878 4.120 -2.367 0.000 0.299 646 V C 0.864 177.031 176.094 0.121 0.000 1.040 646 V CA -0.712 61.585 62.300 -0.005 0.000 0.913 646 V CB 1.945 33.680 31.823 -0.146 0.000 0.992 646 V HN 0.208 nan 8.190 nan 0.000 0.449 647 T N 5.808 120.421 114.554 0.097 0.000 2.916 647 T HA 0.514 3.444 4.350 -2.367 0.000 0.303 647 T C -0.254 174.561 174.700 0.192 0.000 1.025 647 T CA 0.544 62.652 62.100 0.013 0.000 1.142 647 T CB 0.270 69.022 68.868 -0.194 0.000 0.947 647 T HN 0.586 nan 8.240 nan 0.000 0.544 648 I N 1.897 122.502 120.570 0.058 0.000 2.800 648 I HA 0.546 3.296 4.170 -2.367 0.000 0.294 648 I C -1.721 174.418 176.117 0.037 0.000 1.538 648 I CA -0.868 60.484 61.300 0.088 0.000 1.010 648 I CB 1.820 39.788 38.000 -0.052 0.000 1.381 648 I HN 0.457 nan 8.210 nan 0.000 0.462 649 V N 6.171 126.155 119.914 0.117 0.000 2.709 649 V HA 0.500 3.199 4.120 -2.367 0.000 0.308 649 V C -1.078 175.058 176.094 0.071 0.000 1.062 649 V CA -0.419 61.947 62.300 0.110 0.000 0.901 649 V CB 2.124 34.091 31.823 0.241 0.000 1.003 649 V HN 0.805 nan 8.190 nan 0.000 0.425 650 D N 4.995 125.416 120.400 0.034 0.000 2.348 650 D HA 0.132 3.351 4.640 -2.367 0.000 0.249 650 D C 1.057 177.349 176.300 -0.014 0.000 1.110 650 D CA -0.205 53.799 54.000 0.007 0.000 0.967 650 D CB 0.713 41.486 40.800 -0.045 0.000 1.139 650 D HN 0.802 nan 8.370 nan 0.000 0.466 651 H N -0.018 118.978 119.070 -0.124 0.000 2.456 651 H HA -0.149 2.987 4.556 -2.368 0.000 0.296 651 H C 1.144 176.353 175.328 -0.199 0.000 1.079 651 H CA 1.170 57.104 56.048 -0.190 0.000 1.322 651 H CB -0.547 29.043 29.762 -0.287 0.000 1.388 651 H HN 0.500 nan 8.280 nan 0.000 0.538 652 H N 0.905 119.783 119.070 -0.319 0.000 2.363 652 H HA 0.041 3.176 4.556 -2.367 0.000 0.301 652 H C 2.280 177.584 175.328 -0.041 0.000 1.074 652 H CA 1.376 57.321 56.048 -0.172 0.000 1.354 652 H CB 0.172 29.790 29.762 -0.241 0.000 1.397 652 H HN 0.352 nan 8.280 nan 0.000 0.516 653 S N 0.642 116.387 115.700 0.075 0.000 2.377 653 S HA -0.017 3.032 4.470 -2.367 0.000 0.223 653 S C 2.469 177.134 174.600 0.109 0.000 1.030 653 S CA 0.682 58.932 58.200 0.083 0.000 0.970 653 S CB -0.174 63.065 63.200 0.064 0.000 0.830 653 S HN 0.493 nan 8.310 nan 0.000 0.473 654 A N 2.017 124.902 122.820 0.108 0.000 1.892 654 A HA -0.187 2.713 4.320 -2.367 0.000 0.218 654 A C 2.458 180.139 177.584 0.162 0.000 1.188 654 A CA 2.418 54.540 52.037 0.141 0.000 0.631 654 A CB -1.595 17.477 19.000 0.120 0.000 0.822 654 A HN 0.641 nan 8.150 nan 0.000 0.447 655 T N -2.080 112.554 114.554 0.133 0.000 2.777 655 T HA -0.146 2.783 4.350 -2.367 0.000 0.266 655 T C 1.780 176.612 174.700 0.220 0.000 1.040 655 T CA 1.454 63.657 62.100 0.172 0.000 1.141 655 T CB -0.394 68.545 68.868 0.118 0.000 0.868 655 T HN 0.636 nan 8.240 nan 0.000 0.444 656 E N 1.170 121.470 120.200 0.168 0.000 2.085 656 E HA -0.157 2.773 4.350 -2.367 0.000 0.194 656 E C 2.329 179.019 176.600 0.150 0.000 0.994 656 E CA 1.361 57.849 56.400 0.147 0.000 0.801 656 E CB -0.277 29.490 29.700 0.111 0.000 0.743 656 E HN 0.529 nan 8.360 nan 0.000 0.453 657 S N 0.167 115.964 115.700 0.162 0.000 2.370 657 S HA -0.160 2.890 4.470 -2.367 0.000 0.226 657 S C 1.492 176.211 174.600 0.198 0.000 1.033 657 S CA 1.200 59.496 58.200 0.160 0.000 1.011 657 S CB -0.473 62.827 63.200 0.165 0.000 0.852 657 S HN 0.395 nan 8.310 nan 0.000 0.457 658 F N 2.438 122.457 119.950 0.115 0.000 2.134 658 F HA -0.113 2.994 4.527 -2.367 0.000 0.299 658 F C 1.862 177.765 175.800 0.171 0.000 1.097 658 F CA 0.988 59.077 58.000 0.148 0.000 1.264 658 F CB -0.305 38.763 39.000 0.112 0.000 1.001 658 F HN 0.088 nan 8.300 nan 0.000 0.479 659 I N 0.765 121.409 120.570 0.123 0.000 2.127 659 I HA -0.340 2.410 4.170 -2.367 0.000 0.241 659 I C 2.466 178.549 176.117 -0.056 0.000 1.075 659 I CA 1.707 63.020 61.300 0.021 0.000 1.334 659 I CB -1.440 36.624 38.000 0.107 0.000 1.040 659 I HN 0.217 nan 8.210 nan 0.000 0.405 660 K N 0.115 120.520 120.400 0.008 0.000 2.032 660 K HA -0.296 2.604 4.320 -2.367 0.000 0.209 660 K C 2.359 178.946 176.600 -0.022 0.000 1.048 660 K CA 1.966 58.256 56.287 0.006 0.000 0.927 660 K CB -0.325 32.201 32.500 0.043 0.000 0.712 660 K HN 0.296 nan 8.250 nan 0.000 0.441 661 H N 0.400 119.392 119.070 -0.131 0.000 2.353 661 H HA -0.128 3.008 4.556 -2.367 0.000 0.298 661 H C 1.971 177.167 175.328 -0.220 0.000 1.103 661 H CA 2.466 58.415 56.048 -0.164 0.000 1.293 661 H CB -0.106 29.533 29.762 -0.205 0.000 1.372 661 H HN 0.194 nan 8.280 nan 0.000 0.501 662 M N 0.024 119.363 119.600 -0.434 0.000 2.086 662 M HA -0.170 2.890 4.480 -2.367 0.000 0.261 662 M C 2.156 178.417 176.300 -0.066 0.000 1.067 662 M CA 2.078 57.196 55.300 -0.304 0.000 1.116 662 M CB -0.180 32.269 32.600 -0.251 0.000 1.348 662 M HN 0.466 nan 8.290 nan 0.000 0.407 663 E N -0.005 120.145 120.200 -0.083 0.000 2.160 663 E HA -0.190 2.739 4.350 -2.367 0.000 0.195 663 E C 1.657 178.246 176.600 -0.019 0.000 0.991 663 E CA 0.987 57.366 56.400 -0.035 0.000 0.810 663 E CB -0.252 29.424 29.700 -0.040 0.000 0.742 663 E HN 0.544 nan 8.360 nan 0.000 0.466 664 N N 0.797 119.455 118.700 -0.070 0.000 2.173 664 N HA -0.105 3.215 4.740 -2.367 0.000 0.184 664 N C 1.686 177.138 175.510 -0.097 0.000 1.025 664 N CA 0.741 53.754 53.050 -0.062 0.000 0.852 664 N CB -0.078 38.381 38.487 -0.046 0.000 0.998 664 N HN 0.157 nan 8.380 nan 0.000 0.427 665 E N 0.385 120.451 120.200 -0.223 0.000 2.110 665 E HA -0.145 2.785 4.350 -2.367 0.000 0.193 665 E C 1.769 178.235 176.600 -0.224 0.000 0.988 665 E CA 0.770 56.998 56.400 -0.287 0.000 0.804 665 E CB -0.296 29.104 29.700 -0.500 0.000 0.745 665 E HN 0.467 nan 8.360 nan 0.000 0.458 666 Y N 1.298 121.502 120.300 -0.159 0.000 2.200 666 Y HA -0.178 2.952 4.550 -2.367 0.000 0.290 666 Y C 2.625 178.477 175.900 -0.081 0.000 1.137 666 Y CA 1.987 60.024 58.100 -0.105 0.000 1.163 666 Y CB -0.048 38.358 38.460 -0.091 0.000 0.988 666 Y HN 0.087 nan 8.280 nan 0.000 0.518 667 R N -1.832 118.705 120.500 0.061 0.000 2.161 667 R HA 0.031 2.951 4.340 -2.367 0.000 0.213 667 R C 1.354 177.648 176.300 -0.010 0.000 1.055 667 R CA 1.471 57.586 56.100 0.025 0.000 0.996 667 R CB -0.996 29.319 30.300 0.024 0.000 0.901 667 R HN 0.200 nan 8.270 nan 0.000 0.456 668 C N 0.162 119.443 119.300 -0.031 0.000 2.754 668 C HA 0.426 3.466 4.460 -2.367 0.000 0.276 668 C C 1.455 176.411 174.990 -0.057 0.000 1.264 668 C CA -0.451 58.549 59.018 -0.029 0.000 1.700 668 C CB -0.894 26.842 27.740 -0.007 0.000 1.885 668 C HN 0.586 nan 8.230 nan 0.000 0.607 669 R N -0.816 119.623 120.500 -0.102 0.000 2.359 669 R HA 0.178 3.098 4.340 -2.367 0.000 0.242 669 R C 1.179 177.379 176.300 -0.166 0.000 0.809 669 R CA 0.862 56.884 56.100 -0.130 0.000 1.067 669 R CB 0.158 30.354 30.300 -0.174 0.000 1.693 669 R HN 0.323 nan 8.270 nan 0.000 0.451 670 G N 0.374 109.066 108.800 -0.180 0.000 2.136 670 G HA2 -0.133 2.406 3.960 -2.367 0.000 0.242 670 G HA3 -0.133 2.406 3.960 -2.367 0.000 0.242 670 G C 0.188 174.857 174.900 -0.385 0.000 0.989 670 G CA 0.276 45.252 45.100 -0.205 0.000 0.682 670 G HN 0.871 nan 8.290 nan 0.000 0.522 671 G N -2.467 105.912 108.800 -0.701 0.000 2.368 671 G HA2 0.512 3.052 3.960 -2.367 0.000 0.302 671 G HA3 0.512 3.052 3.960 -2.367 0.000 0.302 671 G C -0.781 173.645 174.900 -0.790 0.000 1.329 671 G CA 0.390 44.760 45.100 -1.218 0.000 0.935 671 G HN 1.914 nan 8.290 nan 0.000 0.590 672 C N 2.199 121.157 119.300 -0.570 0.000 2.887 672 C HA 0.661 3.701 4.460 -2.367 0.000 0.379 672 C C -2.480 172.420 174.990 -0.150 0.000 1.064 672 C CA -1.126 57.736 59.018 -0.261 0.000 1.282 672 C CB 1.082 28.697 27.740 -0.208 0.000 1.749 672 C HN 0.719 nan 8.230 nan 0.000 0.489 673 P HA 0.339 nan 4.420 nan 0.000 0.265 673 P C -0.583 176.609 177.300 -0.180 0.000 1.222 673 P CA 0.718 63.451 63.100 -0.612 0.000 0.767 673 P CB 0.842 32.013 31.700 -0.882 0.000 0.801 674 A N 3.093 125.880 122.820 -0.055 0.000 2.398 674 A HA 0.405 3.305 4.320 -2.367 0.000 0.301 674 A C -0.815 176.815 177.584 0.077 0.000 1.041 674 A CA -0.577 51.517 52.037 0.095 0.000 0.711 674 A CB 1.185 20.376 19.000 0.318 0.000 1.240 674 A HN 0.431 nan 8.150 nan 0.000 0.420 675 D N 2.227 122.656 120.400 0.049 0.000 2.428 675 D HA 0.132 3.352 4.640 -2.367 0.000 0.221 675 D C 0.819 177.233 176.300 0.190 0.000 1.123 675 D CA -0.487 53.575 54.000 0.104 0.000 0.869 675 D CB 0.329 41.144 40.800 0.025 0.000 1.032 675 D HN 0.609 nan 8.370 nan 0.000 0.506 676 W N 3.849 125.180 121.300 0.052 0.000 2.302 676 W HA -0.291 2.949 4.660 -2.367 0.000 0.320 676 W C 1.823 178.380 176.519 0.063 0.000 1.241 676 W CA 1.342 58.709 57.345 0.038 0.000 1.264 676 W CB -0.115 29.347 29.460 0.004 0.000 1.154 676 W HN 0.304 nan 8.180 nan 0.000 0.483 677 V N -0.457 119.765 119.914 0.513 0.000 2.453 677 V HA -0.329 2.371 4.120 -2.367 0.000 0.252 677 V C 1.534 177.749 176.094 0.201 0.000 1.068 677 V CA 2.170 64.713 62.300 0.404 0.000 1.070 677 V CB -0.890 31.171 31.823 0.396 0.000 0.664 677 V HN 0.347 nan 8.190 nan 0.000 0.461 678 W N -1.616 119.670 121.300 -0.023 0.000 2.762 678 W HA 0.241 3.480 4.660 -2.369 0.000 0.265 678 W C 2.170 178.582 176.519 -0.178 0.000 1.263 678 W CA -0.078 57.221 57.345 -0.076 0.000 1.411 678 W CB -0.060 29.378 29.460 -0.037 0.000 1.065 678 W HN 0.071 nan 8.180 nan 0.000 0.609 679 I N 0.012 120.549 120.570 -0.055 0.000 2.252 679 I HA -0.104 2.646 4.170 -2.367 0.000 0.245 679 I C 0.684 176.602 176.117 -0.332 0.000 1.102 679 I CA 0.871 62.011 61.300 -0.268 0.000 1.385 679 I CB -1.555 36.194 38.000 -0.419 0.000 1.064 679 I HN -0.418 nan 8.210 nan 0.000 0.414 680 V N 4.056 123.675 119.914 -0.491 0.000 2.493 680 V HA 0.029 2.729 4.120 -2.367 0.000 0.292 680 V C -1.884 174.033 176.094 -0.295 0.000 1.016 680 V CA -0.884 61.122 62.300 -0.490 0.000 1.097 680 V CB -0.191 31.111 31.823 -0.868 0.000 0.947 680 V HN 0.141 nan 8.190 nan 0.000 0.479 681 P HA 0.122 nan 4.420 nan 0.000 0.268 681 P C -1.915 175.254 177.300 -0.218 0.000 1.208 681 P CA -1.111 61.865 63.100 -0.207 0.000 0.777 681 P CB 0.052 31.631 31.700 -0.201 0.000 0.875 682 P HA 0.030 nan 4.420 nan 0.000 0.253 682 P C -0.166 177.020 177.300 -0.190 0.000 1.281 682 P CA 0.931 63.914 63.100 -0.194 0.000 0.792 682 P CB -0.099 31.484 31.700 -0.196 0.000 1.193 683 M N -4.430 115.021 119.600 -0.248 0.000 2.470 683 M HA 0.492 3.552 4.480 -2.367 0.000 0.285 683 M C -0.387 175.771 176.300 -0.236 0.000 1.213 683 M CA -0.513 54.643 55.300 -0.239 0.000 0.901 683 M CB 1.911 34.335 32.600 -0.292 0.000 1.718 683 M HN -0.342 nan 8.290 nan 0.000 0.469 684 S N 0.993 116.617 115.700 -0.127 0.000 3.533 684 S HA -0.190 2.860 4.470 -2.367 0.000 0.347 684 S C 1.121 175.677 174.600 -0.075 0.000 1.101 684 S CA 0.974 59.142 58.200 -0.052 0.000 1.009 684 S CB -1.917 61.332 63.200 0.082 0.000 0.916 684 S HN 1.224 nan 8.310 nan 0.000 0.496 685 G N 2.302 111.031 108.800 -0.119 0.000 2.599 685 G HA2 -0.336 2.204 3.960 -2.367 0.000 0.219 685 G HA3 -0.336 2.204 3.960 -2.367 0.000 0.219 685 G C 1.455 176.179 174.900 -0.293 0.000 1.193 685 G CA 1.572 46.608 45.100 -0.107 0.000 0.778 685 G HN 1.288 nan 8.290 nan 0.000 0.589 686 S N 0.708 115.931 115.700 -0.794 0.000 2.547 686 S HA 0.012 3.062 4.470 -2.367 0.000 0.235 686 S C 2.100 176.555 174.600 -0.242 0.000 0.980 686 S CA 1.064 58.538 58.200 -1.210 0.000 0.941 686 S CB -0.418 61.978 63.200 -1.339 0.000 0.763 686 S HN 0.799 nan 8.310 nan 0.000 0.532 687 I N 0.196 120.730 120.570 -0.060 0.000 3.883 687 I HA 0.242 2.992 4.170 -2.367 0.000 0.326 687 I C 0.288 176.532 176.117 0.212 0.000 1.283 687 I CA -0.263 61.105 61.300 0.113 0.000 1.161 687 I CB -0.333 37.741 38.000 0.124 0.000 1.012 687 I HN 0.202 nan 8.210 nan 0.000 0.421 688 T N -0.955 113.713 114.554 0.190 0.000 2.829 688 T HA 0.426 3.355 4.350 -2.367 0.000 0.282 688 T C -1.384 173.489 174.700 0.289 0.000 0.990 688 T CA -1.954 60.276 62.100 0.216 0.000 1.028 688 T CB 1.463 70.404 68.868 0.122 0.000 0.951 688 T HN -0.039 nan 8.240 nan 0.000 0.460 689 P HA -0.098 nan 4.420 nan 0.000 0.219 689 P C 1.503 179.023 177.300 0.368 0.000 1.146 689 P CA 0.392 63.692 63.100 0.333 0.000 0.808 689 P CB 0.063 31.895 31.700 0.221 0.000 0.779 690 V N -1.129 118.948 119.914 0.272 0.000 3.305 690 V HA -0.146 2.553 4.120 -2.367 0.000 0.269 690 V C 2.070 178.262 176.094 0.163 0.000 1.157 690 V CA 0.877 63.305 62.300 0.213 0.000 1.157 690 V CB -1.482 30.405 31.823 0.108 0.000 0.772 690 V HN -0.077 nan 8.190 nan 0.000 0.498 691 F N 0.300 120.282 119.950 0.053 0.000 2.206 691 F HA -0.101 3.005 4.527 -2.368 0.000 0.298 691 F C 2.258 178.176 175.800 0.196 0.000 1.090 691 F CA 1.736 59.754 58.000 0.030 0.000 1.323 691 F CB -0.067 38.842 39.000 -0.152 0.000 1.028 691 F HN 0.391 nan 8.300 nan 0.000 0.492 692 H N -1.068 118.303 119.070 0.502 0.000 2.539 692 H HA 0.092 3.228 4.556 -2.367 0.000 0.269 692 H C 0.362 175.919 175.328 0.381 0.000 0.980 692 H CA 0.052 56.351 56.048 0.418 0.000 1.152 692 H CB -0.091 29.919 29.762 0.413 0.000 1.407 692 H HN 0.211 nan 8.280 nan 0.000 0.564 693 Q N 2.369 122.433 119.800 0.440 0.000 2.307 693 Q HA 0.089 3.009 4.340 -2.367 0.000 0.259 693 Q C -0.404 175.817 176.000 0.368 0.000 0.998 693 Q CA -0.107 55.906 55.803 0.349 0.000 0.923 693 Q CB 0.482 29.406 28.738 0.309 0.000 1.196 693 Q HN 0.276 nan 8.270 nan 0.000 0.416 694 E N 3.451 123.817 120.200 0.278 0.000 2.383 694 E HA 0.243 3.172 4.350 -2.367 0.000 0.264 694 E C -0.482 176.252 176.600 0.223 0.000 1.050 694 E CA 0.172 56.707 56.400 0.226 0.000 0.896 694 E CB 0.863 30.675 29.700 0.185 0.000 0.982 694 E HN 0.605 nan 8.360 nan 0.000 0.424 695 M N 2.192 121.927 119.600 0.226 0.000 2.619 695 M HA 0.420 3.480 4.480 -2.367 0.000 0.297 695 M C -1.119 175.289 176.300 0.180 0.000 1.229 695 M CA -0.693 54.753 55.300 0.243 0.000 0.860 695 M CB 1.860 34.656 32.600 0.326 0.000 1.741 695 M HN 0.247 nan 8.290 nan 0.000 0.462 696 L N 1.716 123.054 121.223 0.191 0.000 2.349 696 L HA 0.502 3.422 4.340 -2.367 0.000 0.278 696 L C -0.799 176.143 176.870 0.119 0.000 0.996 696 L CA -0.347 54.602 54.840 0.181 0.000 0.825 696 L CB 1.655 43.861 42.059 0.245 0.000 1.243 696 L HN 0.697 nan 8.230 nan 0.000 0.412 697 N N 3.049 121.814 118.700 0.108 0.000 2.399 697 N HA 0.618 3.937 4.740 -2.367 0.000 0.295 697 N C -1.794 173.777 175.510 0.101 0.000 1.048 697 N CA -0.396 52.645 53.050 -0.015 0.000 0.886 697 N CB 1.621 40.117 38.487 0.015 0.000 1.185 697 N HN 0.461 nan 8.380 nan 0.000 0.487 698 Y N -0.309 119.997 120.300 0.012 0.000 2.604 698 Y HA 0.347 3.477 4.550 -2.367 0.000 0.331 698 Y C -1.283 174.608 175.900 -0.016 0.000 1.158 698 Y CA -1.316 56.788 58.100 0.007 0.000 1.056 698 Y CB 0.611 39.090 38.460 0.032 0.000 1.330 698 Y HN 0.357 nan 8.280 nan 0.000 0.457 699 R N 2.844 123.424 120.500 0.135 0.000 2.312 699 R HA 0.797 3.717 4.340 -2.367 0.000 0.311 699 R C -1.755 174.594 176.300 0.082 0.000 1.004 699 R CA -0.436 55.685 56.100 0.036 0.000 0.902 699 R CB 0.749 31.048 30.300 -0.002 0.000 1.073 699 R HN 0.881 nan 8.270 nan 0.000 0.457 700 L N 3.013 124.247 121.223 0.019 0.000 2.388 700 L HA 0.528 3.447 4.340 -2.367 0.000 0.264 700 L C -0.378 176.473 176.870 -0.031 0.000 0.998 700 L CA -1.091 53.764 54.840 0.025 0.000 0.817 700 L CB 2.583 44.665 42.059 0.038 0.000 1.338 700 L HN 0.792 nan 8.230 nan 0.000 0.414 701 T N -0.988 113.556 114.554 -0.017 0.000 2.918 701 T HA 0.593 3.523 4.350 -2.367 0.000 0.286 701 T C -2.679 172.016 174.700 -0.008 0.000 1.026 701 T CA -2.195 59.877 62.100 -0.048 0.000 1.031 701 T CB 1.654 70.498 68.868 -0.040 0.000 1.046 701 T HN 0.202 nan 8.240 nan 0.000 0.479 702 P HA 0.316 nan 4.420 nan 0.000 0.269 702 P C -0.487 176.666 177.300 -0.245 0.000 1.217 702 P CA -0.151 62.833 63.100 -0.193 0.000 0.783 702 P CB 0.452 32.004 31.700 -0.247 0.000 0.898 703 S N 0.045 115.548 115.700 -0.328 0.000 2.588 703 S HA 0.652 3.702 4.470 -2.367 0.000 0.269 703 S C -1.453 172.866 174.600 -0.468 0.000 1.157 703 S CA -0.851 57.134 58.200 -0.358 0.000 0.824 703 S CB 0.720 63.804 63.200 -0.193 0.000 1.126 703 S HN 0.138 nan 8.310 nan 0.000 0.464 704 F N 1.197 121.054 119.950 -0.155 0.000 2.436 704 F HA 0.653 3.759 4.527 -2.368 0.000 0.340 704 F C 0.718 176.410 175.800 -0.180 0.000 1.113 704 F CA -0.356 57.559 58.000 -0.142 0.000 1.022 704 F CB 1.565 40.453 39.000 -0.188 0.000 1.128 704 F HN 0.505 nan 8.300 nan 0.000 0.466 705 E N 2.074 122.297 120.200 0.037 0.000 2.392 705 E HA 0.299 3.228 4.350 -2.367 0.000 0.269 705 E C -1.152 175.429 176.600 -0.031 0.000 0.924 705 E CA -0.879 55.456 56.400 -0.109 0.000 0.784 705 E CB 2.052 31.713 29.700 -0.065 0.000 1.292 705 E HN 0.517 nan 8.360 nan 0.000 0.447 706 Y N 0.747 121.050 120.300 0.004 0.000 2.281 706 Y HA 0.174 3.303 4.550 -2.368 0.000 0.337 706 Y C 0.989 176.873 175.900 -0.027 0.000 1.304 706 Y CA -0.278 57.813 58.100 -0.014 0.000 1.465 706 Y CB 0.954 39.397 38.460 -0.029 0.000 1.350 706 Y HN 0.324 nan 8.280 nan 0.000 0.575 707 Q N -0.024 119.852 119.800 0.127 0.000 2.426 707 Q HA 0.465 3.385 4.340 -2.367 0.000 0.278 707 Q C -3.197 172.751 176.000 -0.086 0.000 1.007 707 Q CA -2.333 53.477 55.803 0.010 0.000 0.850 707 Q CB 1.481 30.217 28.738 -0.004 0.000 1.427 707 Q HN 0.268 nan 8.270 nan 0.000 0.391 708 P HA 0.037 nan 4.420 nan 0.000 0.265 708 P C -0.877 176.187 177.300 -0.394 0.000 1.187 708 P CA 0.109 63.076 63.100 -0.222 0.000 0.766 708 P CB 0.373 31.965 31.700 -0.179 0.000 0.820 709 D N 3.928 123.977 120.400 -0.585 0.000 2.455 709 D HA -0.025 3.195 4.640 -2.367 0.000 0.241 709 D C -1.045 174.589 176.300 -1.110 0.000 1.138 709 D CA -0.910 52.432 54.000 -1.096 0.000 0.877 709 D CB 0.463 40.192 40.800 -1.784 0.000 1.187 709 D HN 0.281 nan 8.370 nan 0.000 0.451 710 P HA -0.153 nan 4.420 nan 0.000 0.218 710 P C 1.385 178.134 177.300 -0.918 0.000 1.148 710 P CA 1.276 63.730 63.100 -1.077 0.000 0.822 710 P CB -0.124 30.607 31.700 -1.614 0.000 0.784 711 W N 0.724 121.520 121.300 -0.840 0.000 2.595 711 W HA 0.090 3.326 4.660 -2.373 0.000 0.257 711 W C 1.152 177.693 176.519 0.037 0.000 1.267 711 W CA 0.464 57.678 57.345 -0.219 0.000 1.300 711 W CB -2.331 27.173 29.460 0.074 0.000 1.120 711 W HN -0.087 nan 8.180 nan 0.000 0.618 712 N N 0.181 118.737 118.700 -0.239 0.000 2.322 712 N HA 0.028 3.348 4.740 -2.367 0.000 0.194 712 N C 0.576 176.062 175.510 -0.041 0.000 1.126 712 N CA 1.041 54.051 53.050 -0.066 0.000 0.845 712 N CB 0.138 38.511 38.487 -0.191 0.000 0.976 712 N HN 0.288 nan 8.380 nan 0.000 0.475 713 T N -4.372 110.159 114.554 -0.039 0.000 3.502 713 T HA 0.038 2.967 4.350 -2.367 0.000 0.310 713 T C -0.538 174.213 174.700 0.086 0.000 0.902 713 T CA -0.469 61.631 62.100 0.000 0.000 0.964 713 T CB -0.436 68.390 68.868 -0.070 0.000 1.200 713 T HN 0.070 nan 8.240 nan 0.000 0.599 714 H N 2.135 121.229 119.070 0.040 0.000 2.463 714 H HA 0.617 3.754 4.556 -2.365 0.000 0.332 714 H C -0.044 175.367 175.328 0.138 0.000 1.127 714 H CA -0.703 55.373 56.048 0.047 0.000 1.238 714 H CB 1.702 31.477 29.762 0.021 0.000 1.478 714 H HN 0.221 nan 8.280 nan 0.000 0.499 715 V N 3.355 122.955 119.914 -0.524 0.000 2.258 715 V HA 0.243 2.943 4.120 -2.367 0.000 0.258 715 V C -0.014 175.758 176.094 -0.537 0.000 1.121 715 V CA -1.103 61.010 62.300 -0.313 0.000 0.942 715 V CB -1.395 30.338 31.823 -0.150 0.000 1.170 715 V HN 0.598 nan 8.190 nan 0.000 0.487 716 W N 0.000 121.066 121.300 -0.390 0.000 2.388 716 W HA 0.000 3.239 4.660 -2.369 0.000 0.303 716 W CA 0.000 57.255 57.345 -0.150 0.000 1.226 716 W CB 0.000 29.475 29.460 0.026 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535