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 3b3n_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 0.000 176.576 176.300 0.459 0.000 0.893 299 R CA 0.000 56.300 56.100 0.333 0.000 0.921 299 R CB 0.000 30.535 30.300 0.392 0.000 0.687 300 F N 3.339 123.352 119.950 0.104 0.000 2.334 300 F HA 0.463 4.315 4.527 -1.124 0.000 0.365 300 F C -0.003 175.848 175.800 0.086 0.000 1.124 300 F CA -0.736 57.336 58.000 0.121 0.000 1.166 300 F CB 0.500 39.535 39.000 0.058 0.000 1.355 300 F HN 0.018 nan 8.300 nan 0.000 0.532 301 L N 3.635 124.960 121.223 0.170 0.000 2.439 301 L HA 0.449 4.115 4.340 -1.125 0.000 0.261 301 L C 0.114 177.023 176.870 0.064 0.000 1.153 301 L CA -0.583 54.279 54.840 0.037 0.000 0.808 301 L CB 0.906 42.865 42.059 -0.167 0.000 1.126 301 L HN 0.410 nan 8.230 nan 0.000 0.460 302 K N 1.006 121.427 120.400 0.035 0.000 2.422 302 K HA 0.659 4.304 4.320 -1.125 0.000 0.251 302 K C -1.442 175.150 176.600 -0.012 0.000 0.933 302 K CA -0.772 55.524 56.287 0.014 0.000 0.798 302 K CB 2.805 35.307 32.500 0.003 0.000 1.238 302 K HN 0.390 nan 8.250 nan 0.000 0.428 303 V N -0.865 119.010 119.914 -0.064 0.000 2.540 303 V HA 0.588 4.033 4.120 -1.125 0.000 0.302 303 V C -0.724 175.293 176.094 -0.127 0.000 1.035 303 V CA -0.909 61.355 62.300 -0.060 0.000 0.873 303 V CB 1.557 33.352 31.823 -0.047 0.000 0.992 303 V HN 0.773 nan 8.190 nan 0.000 0.428 304 K N 3.454 123.784 120.400 -0.117 0.000 2.259 304 K HA 0.455 4.100 4.320 -1.125 0.000 0.252 304 K C -0.829 175.641 176.600 -0.217 0.000 0.936 304 K CA -0.692 55.435 56.287 -0.267 0.000 0.810 304 K CB 1.882 34.074 32.500 -0.513 0.000 1.143 304 K HN 0.888 nan 8.250 nan 0.000 0.427 305 N N 3.913 122.493 118.700 -0.199 0.000 2.426 305 N HA 0.089 4.154 4.740 -1.125 0.000 0.257 305 N C -0.384 175.068 175.510 -0.098 0.000 1.002 305 N CA -0.342 52.699 53.050 -0.016 0.000 0.942 305 N CB 0.465 38.964 38.487 0.019 0.000 1.112 305 N HN 0.675 nan 8.380 nan 0.000 0.499 306 W N 2.092 123.469 121.300 0.128 0.000 3.077 306 W HA 0.137 4.122 4.660 -1.125 0.000 0.245 306 W C 1.934 178.509 176.519 0.093 0.000 1.316 306 W CA -0.197 57.218 57.345 0.117 0.000 1.537 306 W CB 0.316 29.866 29.460 0.150 0.000 1.131 306 W HN 0.669 nan 8.180 nan 0.000 0.695 307 E N -0.280 120.044 120.200 0.206 0.000 2.251 307 E HA -0.079 3.596 4.350 -1.125 0.000 0.194 307 E C 1.710 178.321 176.600 0.018 0.000 0.964 307 E CA 1.556 57.982 56.400 0.044 0.000 0.868 307 E CB 0.214 29.866 29.700 -0.081 0.000 0.828 307 E HN 0.179 nan 8.360 nan 0.000 0.481 308 T N -2.878 111.684 114.554 0.012 0.000 3.043 308 T HA 0.158 3.833 4.350 -1.125 0.000 0.272 308 T C 0.379 175.046 174.700 -0.056 0.000 0.990 308 T CA 0.194 62.284 62.100 -0.017 0.000 0.897 308 T CB 0.432 69.295 68.868 -0.009 0.000 1.111 308 T HN 0.027 nan 8.240 nan 0.000 0.529 309 D N 0.323 120.662 120.400 -0.102 0.000 3.006 309 D HA -0.135 3.830 4.640 -1.125 0.000 0.208 309 D C 0.042 176.237 176.300 -0.174 0.000 1.116 309 D CA 0.581 54.475 54.000 -0.177 0.000 0.998 309 D CB -1.608 39.116 40.800 -0.126 0.000 1.124 309 D HN 0.437 nan 8.370 nan 0.000 0.413 310 V N 1.099 120.934 119.914 -0.133 0.000 2.655 310 V HA 0.141 3.586 4.120 -1.125 0.000 0.300 310 V C 0.899 176.892 176.094 -0.168 0.000 1.044 310 V CA 0.093 62.318 62.300 -0.125 0.000 1.095 310 V CB 1.686 33.453 31.823 -0.094 0.000 0.952 310 V HN -0.067 nan 8.190 nan 0.000 0.485 311 V N 6.638 126.458 119.914 -0.158 0.000 2.604 311 V HA 0.545 3.991 4.120 -1.125 0.000 0.305 311 V C -0.207 175.784 176.094 -0.172 0.000 1.043 311 V CA -0.543 61.655 62.300 -0.171 0.000 0.888 311 V CB 1.792 33.530 31.823 -0.142 0.000 0.995 311 V HN 0.633 nan 8.190 nan 0.000 0.429 312 L N 3.061 124.137 121.223 -0.245 0.000 2.354 312 L HA 0.655 4.321 4.340 -1.125 0.000 0.269 312 L C -0.078 176.700 176.870 -0.152 0.000 1.005 312 L CA -0.462 54.197 54.840 -0.301 0.000 0.819 312 L CB 2.503 44.068 42.059 -0.823 0.000 1.311 312 L HN 0.517 nan 8.230 nan 0.000 0.423 313 T N 0.327 114.900 114.554 0.032 0.000 2.795 313 T HA 0.205 3.881 4.350 -1.125 0.000 0.282 313 T C -0.747 174.114 174.700 0.269 0.000 0.980 313 T CA -0.362 61.817 62.100 0.133 0.000 1.012 313 T CB 1.356 70.313 68.868 0.147 0.000 0.936 313 T HN 0.436 nan 8.240 nan 0.000 0.457 314 D N 1.997 122.543 120.400 0.245 0.000 2.349 314 D HA 0.248 4.213 4.640 -1.125 0.000 0.232 314 D C 0.743 177.087 176.300 0.072 0.000 1.071 314 D CA -0.363 53.781 54.000 0.239 0.000 0.832 314 D CB 1.499 42.471 40.800 0.287 0.000 1.086 314 D HN 0.645 nan 8.370 nan 0.000 0.504 315 T N 0.922 115.402 114.554 -0.123 0.000 2.975 315 T HA -0.016 3.659 4.350 -1.125 0.000 0.257 315 T C 1.717 176.175 174.700 -0.404 0.000 1.003 315 T CA -0.255 61.585 62.100 -0.434 0.000 0.932 315 T CB 0.177 68.727 68.868 -0.530 0.000 1.087 315 T HN 0.235 nan 8.240 nan 0.000 0.512 316 L N 3.119 124.199 121.223 -0.239 0.000 2.141 316 L HA -0.010 3.655 4.340 -1.125 0.000 0.209 316 L C 2.558 179.220 176.870 -0.348 0.000 1.094 316 L CA 1.817 56.529 54.840 -0.214 0.000 0.763 316 L CB -0.920 41.086 42.059 -0.088 0.000 0.908 316 L HN 0.577 nan 8.230 nan 0.000 0.437 317 H N -0.889 117.781 119.070 -0.666 0.000 2.489 317 H HA -0.138 3.743 4.556 -1.125 0.000 0.295 317 H C 1.805 176.806 175.328 -0.544 0.000 1.082 317 H CA 1.361 56.712 56.048 -1.163 0.000 1.295 317 H CB -0.785 28.198 29.762 -1.298 0.000 1.380 317 H HN 0.436 nan 8.280 nan 0.000 0.548 318 L N 0.472 121.097 121.223 -0.996 0.000 2.633 318 L HA -0.045 3.620 4.340 -1.125 0.000 0.235 318 L C 1.770 178.439 176.870 -0.334 0.000 1.163 318 L CA 0.873 55.317 54.840 -0.660 0.000 0.859 318 L CB -0.074 41.614 42.059 -0.620 0.000 0.973 318 L HN 0.217 nan 8.230 nan 0.000 0.451 319 K N -1.032 119.205 120.400 -0.272 0.000 2.358 319 K HA 0.101 3.746 4.320 -1.125 0.000 0.200 319 K C 0.935 177.489 176.600 -0.077 0.000 1.030 319 K CA -0.131 56.071 56.287 -0.140 0.000 1.097 319 K CB 0.655 33.090 32.500 -0.108 0.000 0.862 319 K HN 0.044 nan 8.250 nan 0.000 0.534 320 S N 1.308 116.953 115.700 -0.091 0.000 2.561 320 S HA -0.067 3.729 4.470 -1.125 0.000 0.294 320 S C 1.159 175.763 174.600 0.008 0.000 1.294 320 S CA 0.578 58.783 58.200 0.008 0.000 1.055 320 S CB 0.569 63.781 63.200 0.020 0.000 0.819 320 S HN 0.433 nan 8.310 nan 0.000 0.503 321 T N 3.674 118.247 114.554 0.033 0.000 3.238 321 T HA 0.309 3.984 4.350 -1.125 0.000 0.242 321 T C 0.882 175.599 174.700 0.028 0.000 0.980 321 T CA -0.354 61.759 62.100 0.022 0.000 1.235 321 T CB -0.584 68.296 68.868 0.020 0.000 1.069 321 T HN 0.515 nan 8.240 nan 0.000 0.407 322 L N 2.031 123.274 121.223 0.033 0.000 2.473 322 L HA 0.352 4.017 4.340 -1.125 0.000 0.268 322 L C 0.576 177.471 176.870 0.041 0.000 1.215 322 L CA -0.397 54.462 54.840 0.030 0.000 0.823 322 L CB 0.152 42.223 42.059 0.021 0.000 1.099 322 L HN 0.359 nan 8.230 nan 0.000 0.483 323 E N -0.328 119.893 120.200 0.035 0.000 2.349 323 E HA 0.091 3.766 4.350 -1.125 0.000 0.262 323 E C 0.471 177.098 176.600 0.045 0.000 1.088 323 E CA 0.165 56.589 56.400 0.040 0.000 0.899 323 E CB 1.128 30.849 29.700 0.034 0.000 1.044 323 E HN 0.731 nan 8.360 nan 0.000 0.420 324 T N -1.883 112.701 114.554 0.050 0.000 3.014 324 T HA 0.259 3.934 4.350 -1.125 0.000 0.250 324 T C 1.336 176.064 174.700 0.046 0.000 1.060 324 T CA 0.332 62.463 62.100 0.051 0.000 1.040 324 T CB 0.403 69.309 68.868 0.064 0.000 0.971 324 T HN 0.745 nan 8.240 nan 0.000 0.497 325 G N 0.479 109.305 108.800 0.043 0.000 2.213 325 G HA2 -0.242 3.043 3.960 -1.125 0.000 0.236 325 G HA3 -0.242 3.043 3.960 -1.125 0.000 0.236 325 G C 0.286 175.212 174.900 0.042 0.000 0.991 325 G CA -0.155 44.970 45.100 0.041 0.000 0.629 325 G HN 0.741 nan 8.290 nan 0.000 0.517 326 C N 1.011 120.336 119.300 0.043 0.000 2.362 326 C HA 0.947 4.732 4.460 -1.125 0.000 0.363 326 C C 0.957 175.971 174.990 0.039 0.000 1.220 326 C CA 0.521 59.564 59.018 0.041 0.000 2.379 326 C CB 1.159 28.922 27.740 0.037 0.000 2.351 326 C HN 1.040 nan 8.230 nan 0.000 0.582 327 T N -1.544 113.034 114.554 0.040 0.000 2.838 327 T HA 0.398 4.073 4.350 -1.125 0.000 0.292 327 T C 0.142 174.843 174.700 0.002 0.000 1.113 327 T CA -0.463 61.660 62.100 0.037 0.000 1.008 327 T CB 1.171 70.087 68.868 0.078 0.000 1.259 327 T HN 0.524 nan 8.240 nan 0.000 0.520 328 E N -0.243 119.921 120.200 -0.061 0.000 2.409 328 E HA 0.009 3.684 4.350 -1.125 0.000 0.198 328 E C 1.445 177.917 176.600 -0.214 0.000 1.024 328 E CA 1.012 57.319 56.400 -0.154 0.000 0.861 328 E CB -0.230 29.329 29.700 -0.234 0.000 0.788 328 E HN 0.593 nan 8.360 nan 0.000 0.521 329 H N -0.870 118.206 119.070 0.010 0.000 2.553 329 H HA 0.375 4.256 4.556 -1.125 0.000 0.276 329 H C 0.245 175.577 175.328 0.007 0.000 0.979 329 H CA 0.316 56.368 56.048 0.008 0.000 1.268 329 H CB 1.026 30.793 29.762 0.008 0.000 1.450 329 H HN 0.113 nan 8.280 nan 0.000 0.527 330 I N 0.546 121.186 120.570 0.117 0.000 2.644 330 I HA 0.154 3.649 4.170 -1.125 0.000 0.291 330 I C -1.041 175.104 176.117 0.046 0.000 1.180 330 I CA -0.686 60.657 61.300 0.072 0.000 1.040 330 I CB 2.085 40.126 38.000 0.069 0.000 1.255 330 I HN 0.026 nan 8.210 nan 0.000 0.422 331 C N 7.718 127.038 119.300 0.033 0.000 2.307 331 C HA 0.525 4.310 4.460 -1.125 0.000 0.340 331 C C 0.803 175.812 174.990 0.032 0.000 1.275 331 C CA -0.446 58.588 59.018 0.026 0.000 1.811 331 C CB 0.388 28.135 27.740 0.011 0.000 2.372 331 C HN 0.848 nan 8.230 nan 0.000 0.531 332 M N 4.925 124.549 119.600 0.039 0.000 2.576 332 M HA 0.193 3.999 4.480 -1.125 0.000 0.322 332 M C 1.824 178.158 176.300 0.057 0.000 1.184 332 M CA 0.044 55.372 55.300 0.046 0.000 0.967 332 M CB 0.110 32.737 32.600 0.045 0.000 1.372 332 M HN 1.008 nan 8.290 nan 0.000 0.509 333 G N 1.323 110.156 108.800 0.055 0.000 2.517 333 G HA2 -0.233 3.052 3.960 -1.125 0.000 0.222 333 G HA3 -0.233 3.052 3.960 -1.125 0.000 0.222 333 G C 1.371 176.336 174.900 0.109 0.000 1.109 333 G CA 1.579 46.724 45.100 0.074 0.000 0.746 333 G HN 0.583 nan 8.290 nan 0.000 0.576 334 S N -0.446 115.313 115.700 0.098 0.000 2.572 334 S HA 0.405 4.200 4.470 -1.125 0.000 0.228 334 S C 0.432 175.105 174.600 0.123 0.000 0.963 334 S CA -0.677 57.599 58.200 0.126 0.000 0.939 334 S CB 0.136 63.396 63.200 0.101 0.000 0.804 334 S HN -0.002 nan 8.310 nan 0.000 0.480 335 I N 2.677 123.309 120.570 0.103 0.000 2.371 335 I HA 0.277 3.772 4.170 -1.125 0.000 0.290 335 I C 1.637 177.820 176.117 0.110 0.000 1.028 335 I CA -0.430 60.923 61.300 0.089 0.000 1.345 335 I CB 0.423 38.460 38.000 0.061 0.000 1.407 335 I HN 0.256 nan 8.210 nan 0.000 0.501 336 M N 5.626 125.295 119.600 0.116 0.000 2.080 336 M HA -0.111 3.694 4.480 -1.125 0.000 0.260 336 M C 0.392 176.712 176.300 0.033 0.000 1.068 336 M CA 1.938 57.316 55.300 0.131 0.000 1.109 336 M CB -0.166 32.499 32.600 0.109 0.000 1.342 336 M HN 0.387 nan 8.290 nan 0.000 0.405 337 L N 0.420 121.638 121.223 -0.009 0.000 2.457 337 L HA 0.373 4.038 4.340 -1.125 0.000 0.252 337 L C -2.169 174.715 176.870 0.022 0.000 1.132 337 L CA -1.653 53.171 54.840 -0.027 0.000 0.938 337 L CB 0.057 42.044 42.059 -0.121 0.000 1.246 337 L HN 0.002 nan 8.230 nan 0.000 0.476 351 K N 0.774 121.206 120.400 0.053 0.000 2.152 351 K HA -0.146 3.499 4.320 -1.125 0.000 0.206 351 K C 1.020 177.674 176.600 0.091 0.000 1.048 351 K CA 1.670 58.001 56.287 0.073 0.000 0.933 351 K CB 0.007 32.538 32.500 0.052 0.000 0.721 351 K HN 0.474 nan 8.250 nan 0.000 0.447 352 D N 0.902 121.344 120.400 0.069 0.000 2.144 352 D HA -0.132 3.833 4.640 -1.125 0.000 0.200 352 D C 1.918 178.270 176.300 0.085 0.000 0.978 352 D CA 1.168 55.213 54.000 0.075 0.000 0.833 352 D CB -0.145 40.684 40.800 0.049 0.000 0.961 352 D HN 0.298 nan 8.370 nan 0.000 0.470 353 Q N -0.338 119.502 119.800 0.066 0.000 2.172 353 Q HA -0.028 3.637 4.340 -1.125 0.000 0.200 353 Q C 1.986 178.024 176.000 0.063 0.000 0.964 353 Q CA 0.417 56.253 55.803 0.055 0.000 0.855 353 Q CB 0.042 28.802 28.738 0.038 0.000 0.918 353 Q HN 0.168 nan 8.270 nan 0.000 0.444 354 L N -0.200 121.074 121.223 0.086 0.000 2.095 354 L HA -0.047 3.619 4.340 -1.125 0.000 0.204 354 L C 1.958 178.887 176.870 0.098 0.000 1.080 354 L CA 1.422 56.323 54.840 0.103 0.000 0.759 354 L CB -0.528 41.612 42.059 0.135 0.000 0.914 354 L HN 0.119 nan 8.230 nan 0.000 0.439 355 F N 1.961 121.924 119.950 0.023 0.000 2.161 355 F HA -0.077 3.775 4.527 -1.125 0.000 0.300 355 F C -0.582 175.224 175.800 0.010 0.000 1.089 355 F CA 1.475 59.470 58.000 -0.009 0.000 1.282 355 F CB -1.496 37.489 39.000 -0.025 0.000 1.010 355 F HN 0.195 nan 8.300 nan 0.000 0.485 356 P HA -0.191 nan 4.420 nan 0.000 0.216 356 P C 2.126 179.327 177.300 -0.164 0.000 1.153 356 P CA 1.691 64.709 63.100 -0.137 0.000 0.848 356 P CB -0.222 31.486 31.700 0.012 0.000 0.787 357 L N -0.432 120.740 121.223 -0.084 0.000 2.046 357 L HA -0.150 3.515 4.340 -1.125 0.000 0.208 357 L C 2.855 179.717 176.870 -0.014 0.000 1.077 357 L CA 1.698 56.523 54.840 -0.025 0.000 0.747 357 L CB -1.266 40.799 42.059 0.010 0.000 0.896 357 L HN -0.047 nan 8.230 nan 0.000 0.432 358 A N 0.076 122.840 122.820 -0.093 0.000 1.902 358 A HA -0.258 3.387 4.320 -1.125 0.000 0.217 358 A C 2.401 179.903 177.584 -0.137 0.000 1.181 358 A CA 1.991 53.990 52.037 -0.062 0.000 0.623 358 A CB -0.465 18.325 19.000 -0.349 0.000 0.818 358 A HN 0.330 nan 8.150 nan 0.000 0.443 359 K N -0.183 119.947 120.400 -0.450 0.000 2.032 359 K HA -0.235 3.410 4.320 -1.125 0.000 0.209 359 K C 2.117 178.682 176.600 -0.057 0.000 1.048 359 K CA 1.767 57.857 56.287 -0.329 0.000 0.927 359 K CB -0.230 31.977 32.500 -0.489 0.000 0.712 359 K HN 0.631 nan 8.250 nan 0.000 0.441 360 E N -0.267 119.919 120.200 -0.025 0.000 2.049 360 E HA -0.251 3.424 4.350 -1.125 0.000 0.198 360 E C 1.924 178.601 176.600 0.129 0.000 1.007 360 E CA 1.577 58.013 56.400 0.060 0.000 0.809 360 E CB -0.266 29.468 29.700 0.057 0.000 0.749 360 E HN 0.368 nan 8.360 nan 0.000 0.450 361 F N 1.384 121.342 119.950 0.014 0.000 2.075 361 F HA -0.160 3.693 4.527 -1.124 0.000 0.297 361 F C 2.056 177.899 175.800 0.072 0.000 1.113 361 F CA 1.512 59.547 58.000 0.058 0.000 1.218 361 F CB -0.491 38.553 39.000 0.073 0.000 0.984 361 F HN 0.005 nan 8.300 nan 0.000 0.472 362 L N 0.005 121.178 121.223 -0.083 0.000 2.079 362 L HA -0.246 3.419 4.340 -1.125 0.000 0.210 362 L C 2.218 179.053 176.870 -0.058 0.000 1.081 362 L CA 1.508 56.285 54.840 -0.105 0.000 0.752 362 L CB -0.956 41.160 42.059 0.095 0.000 0.896 362 L HN 0.123 nan 8.230 nan 0.000 0.433 363 D N -0.042 120.372 120.400 0.024 0.000 2.097 363 D HA -0.234 3.731 4.640 -1.125 0.000 0.195 363 D C 2.255 178.599 176.300 0.072 0.000 0.989 363 D CA 1.645 55.725 54.000 0.133 0.000 0.827 363 D CB -0.271 40.736 40.800 0.345 0.000 0.966 363 D HN 0.546 nan 8.370 nan 0.000 0.456 364 Q N -0.478 119.305 119.800 -0.029 0.000 2.167 364 Q HA -0.217 3.448 4.340 -1.125 0.000 0.202 364 Q C 2.216 178.032 176.000 -0.306 0.000 0.970 364 Q CA 1.023 56.771 55.803 -0.092 0.000 0.855 364 Q CB -0.646 28.085 28.738 -0.012 0.000 0.911 364 Q HN 0.366 nan 8.270 nan 0.000 0.438 365 Y N 0.657 120.532 120.300 -0.708 0.000 2.114 365 Y HA -0.240 3.636 4.550 -1.124 0.000 0.284 365 Y C 1.586 176.992 175.900 -0.823 0.000 1.143 365 Y CA 1.527 58.921 58.100 -1.178 0.000 1.135 365 Y CB -0.582 37.064 38.460 -1.356 0.000 0.980 365 Y HN 0.099 nan 8.280 nan 0.000 0.499 366 Y N -0.516 119.376 120.300 -0.681 0.000 2.224 366 Y HA -0.228 3.647 4.550 -1.125 0.000 0.289 366 Y C 3.108 178.782 175.900 -0.377 0.000 1.146 366 Y CA 1.892 59.602 58.100 -0.651 0.000 1.182 366 Y CB -0.765 37.195 38.460 -0.833 0.000 0.983 366 Y HN 0.253 nan 8.280 nan 0.000 0.524 367 S N -0.473 115.178 115.700 -0.081 0.000 2.368 367 S HA -0.211 3.584 4.470 -1.125 0.000 0.225 367 S C 2.349 176.857 174.600 -0.153 0.000 1.030 367 S CA 1.568 59.752 58.200 -0.025 0.000 0.999 367 S CB -0.699 62.450 63.200 -0.084 0.000 0.844 367 S HN 0.593 nan 8.310 nan 0.000 0.459 368 S N 2.113 117.654 115.700 -0.265 0.000 2.399 368 S HA -0.078 3.717 4.470 -1.125 0.000 0.231 368 S C 1.687 176.149 174.600 -0.230 0.000 1.022 368 S CA 1.167 59.252 58.200 -0.193 0.000 0.983 368 S CB -1.044 62.074 63.200 -0.138 0.000 0.803 368 S HN 0.842 nan 8.310 nan 0.000 0.480 369 I N -2.272 118.052 120.570 -0.411 0.000 3.855 369 I HA 0.403 3.899 4.170 -1.125 0.000 0.327 369 I C -0.099 175.908 176.117 -0.184 0.000 1.359 369 I CA -0.609 60.492 61.300 -0.332 0.000 1.142 369 I CB -0.607 37.073 38.000 -0.533 0.000 1.041 369 I HN 0.001 nan 8.210 nan 0.000 0.403 370 K N 1.986 122.314 120.400 -0.121 0.000 3.150 370 K HA -0.168 3.477 4.320 -1.125 0.000 0.267 370 K C 0.161 176.766 176.600 0.007 0.000 1.028 370 K CA 0.543 56.809 56.287 -0.035 0.000 0.753 370 K CB -1.380 31.102 32.500 -0.029 0.000 1.288 370 K HN 0.601 nan 8.250 nan 0.000 0.473 371 R N 0.268 120.793 120.500 0.042 0.000 2.582 371 R HA 0.121 3.786 4.340 -1.125 0.000 0.453 371 R C -0.493 175.917 176.300 0.183 0.000 0.969 371 R CA -0.476 55.690 56.100 0.109 0.000 1.113 371 R CB 0.329 30.712 30.300 0.138 0.000 1.507 371 R HN 0.150 nan 8.270 nan 0.000 0.587 372 F N 1.039 121.029 119.950 0.066 0.000 2.578 372 F HA 0.181 4.033 4.527 -1.125 0.000 0.381 372 F C 1.425 177.348 175.800 0.206 0.000 1.069 372 F CA 1.945 60.040 58.000 0.158 0.000 1.231 372 F CB 0.753 39.790 39.000 0.062 0.000 1.086 372 F HN 0.457 nan 8.300 nan 0.000 0.564 373 G N 3.060 111.700 108.800 -0.268 0.000 2.205 373 G HA2 -0.313 2.972 3.960 -1.125 0.000 0.261 373 G HA3 -0.313 2.972 3.960 -1.125 0.000 0.261 373 G C 0.493 175.262 174.900 -0.219 0.000 0.980 373 G CA 0.383 45.248 45.100 -0.392 0.000 0.632 373 G HN 1.196 nan 8.290 nan 0.000 0.533 374 S N -0.223 115.421 115.700 -0.092 0.000 2.598 374 S HA 0.357 4.152 4.470 -1.125 0.000 0.256 374 S C 1.447 175.965 174.600 -0.136 0.000 1.350 374 S CA 0.895 59.053 58.200 -0.070 0.000 0.984 374 S CB 1.282 64.482 63.200 -0.000 0.000 0.930 374 S HN 0.550 nan 8.310 nan 0.000 0.577 375 K N 0.446 120.788 120.400 -0.097 0.000 2.057 375 K HA -0.063 3.583 4.320 -1.125 0.000 0.206 375 K C 2.380 178.905 176.600 -0.124 0.000 1.050 375 K CA 1.119 57.340 56.287 -0.109 0.000 0.935 375 K CB -0.955 31.505 32.500 -0.066 0.000 0.715 375 K HN 0.741 nan 8.250 nan 0.000 0.439 376 A N 1.027 123.799 122.820 -0.080 0.000 1.892 376 A HA -0.286 3.359 4.320 -1.125 0.000 0.218 376 A C 2.042 179.454 177.584 -0.286 0.000 1.188 376 A CA 2.084 54.086 52.037 -0.059 0.000 0.631 376 A CB -1.195 17.858 19.000 0.090 0.000 0.822 376 A HN 0.678 nan 8.150 nan 0.000 0.447 377 H N -1.398 117.239 119.070 -0.722 0.000 2.265 377 H HA -0.174 3.707 4.556 -1.125 0.000 0.295 377 H C 2.162 177.085 175.328 -0.677 0.000 1.084 377 H CA 1.720 56.967 56.048 -1.335 0.000 1.261 377 H CB -0.111 29.067 29.762 -0.973 0.000 1.360 377 H HN 0.347 nan 8.280 nan 0.000 0.487 378 M N 0.892 120.235 119.600 -0.427 0.000 2.108 378 M HA -0.167 3.638 4.480 -1.125 0.000 0.261 378 M C 1.804 177.986 176.300 -0.196 0.000 1.066 378 M CA 1.248 56.339 55.300 -0.349 0.000 1.107 378 M CB -0.856 31.568 32.600 -0.293 0.000 1.356 378 M HN 0.366 nan 8.290 nan 0.000 0.406 379 D N -0.113 120.194 120.400 -0.155 0.000 2.092 379 D HA -0.182 3.783 4.640 -1.125 0.000 0.193 379 D C 2.050 178.319 176.300 -0.052 0.000 0.994 379 D CA 1.491 55.441 54.000 -0.084 0.000 0.828 379 D CB -0.341 40.427 40.800 -0.055 0.000 0.963 379 D HN 0.242 nan 8.370 nan 0.000 0.450 380 R N 0.380 120.848 120.500 -0.052 0.000 2.083 380 R HA -0.123 3.542 4.340 -1.125 0.000 0.237 380 R C 2.178 178.496 176.300 0.029 0.000 1.137 380 R CA 0.928 57.045 56.100 0.027 0.000 0.951 380 R CB -0.900 29.469 30.300 0.114 0.000 0.851 380 R HN 0.106 nan 8.270 nan 0.000 0.434 381 L N 0.961 122.183 121.223 -0.002 0.000 2.043 381 L HA -0.175 3.491 4.340 -1.125 0.000 0.212 381 L C 2.246 179.167 176.870 0.085 0.000 1.075 381 L CA 2.354 57.228 54.840 0.058 0.000 0.752 381 L CB -0.771 41.290 42.059 0.003 0.000 0.891 381 L HN 0.396 nan 8.230 nan 0.000 0.432 382 E N -0.364 119.837 120.200 0.002 0.000 2.072 382 E HA -0.248 3.427 4.350 -1.125 0.000 0.190 382 E C 2.134 178.723 176.600 -0.017 0.000 0.982 382 E CA 1.572 57.955 56.400 -0.028 0.000 0.803 382 E CB -0.277 29.388 29.700 -0.058 0.000 0.755 382 E HN 0.575 nan 8.360 nan 0.000 0.453 383 E N -0.266 119.934 120.200 0.000 0.000 2.070 383 E HA -0.189 3.487 4.350 -1.125 0.000 0.197 383 E C 1.956 178.569 176.600 0.021 0.000 1.004 383 E CA 1.823 58.231 56.400 0.013 0.000 0.805 383 E CB -0.016 29.703 29.700 0.031 0.000 0.744 383 E HN 0.224 nan 8.360 nan 0.000 0.451 384 V N 2.037 121.963 119.914 0.020 0.000 2.358 384 V HA -0.253 3.193 4.120 -1.125 0.000 0.246 384 V C 2.508 178.602 176.094 -0.001 0.000 1.047 384 V CA 1.855 64.130 62.300 -0.042 0.000 1.035 384 V CB -0.863 30.829 31.823 -0.219 0.000 0.658 384 V HN 0.425 nan 8.190 nan 0.000 0.452 385 N N 0.803 119.545 118.700 0.069 0.000 2.061 385 N HA -0.229 3.837 4.740 -1.125 0.000 0.193 385 N C 1.890 177.342 175.510 -0.096 0.000 1.030 385 N CA 1.892 54.900 53.050 -0.069 0.000 0.856 385 N CB -0.129 38.146 38.487 -0.354 0.000 1.023 385 N HN 0.495 nan 8.380 nan 0.000 0.424 386 K N 0.556 120.916 120.400 -0.067 0.000 2.057 386 K HA -0.151 3.494 4.320 -1.125 0.000 0.207 386 K C 1.992 178.586 176.600 -0.009 0.000 1.049 386 K CA 1.161 57.420 56.287 -0.048 0.000 0.931 386 K CB -0.145 32.335 32.500 -0.033 0.000 0.714 386 K HN 0.375 nan 8.250 nan 0.000 0.440 387 E N 1.097 121.309 120.200 0.021 0.000 2.072 387 E HA -0.170 3.505 4.350 -1.125 0.000 0.191 387 E C 1.949 178.593 176.600 0.074 0.000 0.985 387 E CA 0.896 57.331 56.400 0.058 0.000 0.801 387 E CB 0.034 29.794 29.700 0.101 0.000 0.750 387 E HN 0.238 nan 8.360 nan 0.000 0.452 388 I N 1.017 121.633 120.570 0.078 0.000 2.202 388 I HA -0.213 3.282 4.170 -1.125 0.000 0.242 388 I C 2.641 178.789 176.117 0.052 0.000 1.091 388 I CA 0.883 62.244 61.300 0.101 0.000 1.368 388 I CB -0.265 37.814 38.000 0.133 0.000 1.058 388 I HN 0.138 nan 8.210 nan 0.000 0.410 389 E N 0.428 120.632 120.200 0.008 0.000 2.118 389 E HA -0.223 3.452 4.350 -1.125 0.000 0.195 389 E C 2.251 178.851 176.600 -0.001 0.000 0.992 389 E CA 1.550 57.941 56.400 -0.014 0.000 0.804 389 E CB -0.058 29.609 29.700 -0.055 0.000 0.741 389 E HN 0.319 nan 8.360 nan 0.000 0.458 390 S N -1.106 114.599 115.700 0.008 0.000 2.427 390 S HA -0.044 3.752 4.470 -1.125 0.000 0.224 390 S C 1.881 176.493 174.600 0.021 0.000 1.047 390 S CA 1.492 59.699 58.200 0.011 0.000 0.953 390 S CB -0.091 63.115 63.200 0.010 0.000 0.824 390 S HN 0.422 nan 8.310 nan 0.000 0.502 391 T N -0.986 113.590 114.554 0.036 0.000 3.040 391 T HA 0.201 3.876 4.350 -1.125 0.000 0.250 391 T C 0.972 175.698 174.700 0.043 0.000 1.058 391 T CA 1.122 63.245 62.100 0.039 0.000 0.988 391 T CB -0.177 68.722 68.868 0.051 0.000 0.993 391 T HN 1.061 nan 8.240 nan 0.000 0.519 392 S N -1.034 114.697 115.700 0.052 0.000 3.380 392 S HA -0.187 3.608 4.470 -1.125 0.000 0.300 392 S C 0.250 174.895 174.600 0.075 0.000 1.255 392 S CA 1.266 59.499 58.200 0.055 0.000 0.963 392 S CB -2.796 60.423 63.200 0.033 0.000 1.106 392 S HN 1.240 nan 8.310 nan 0.000 0.629 393 T N -0.523 114.098 114.554 0.111 0.000 2.654 393 T HA 0.599 4.274 4.350 -1.125 0.000 0.303 393 T C -1.798 173.054 174.700 0.253 0.000 1.656 393 T CA -0.042 62.142 62.100 0.141 0.000 0.971 393 T CB 0.990 69.872 68.868 0.023 0.000 1.811 393 T HN 1.646 nan 8.240 nan 0.000 0.483 394 Y N -0.536 119.770 120.300 0.009 0.000 2.713 394 Y HA 0.797 4.674 4.550 -1.123 0.000 0.335 394 Y C -1.639 174.274 175.900 0.021 0.000 1.222 394 Y CA -1.230 56.887 58.100 0.028 0.000 1.061 394 Y CB 0.970 39.465 38.460 0.058 0.000 1.314 394 Y HN 0.458 nan 8.280 nan 0.000 0.453 395 Q N 2.351 122.194 119.800 0.071 0.000 2.309 395 Q HA 0.517 4.182 4.340 -1.125 0.000 0.264 395 Q C -0.991 175.054 176.000 0.076 0.000 1.008 395 Q CA -0.855 54.937 55.803 -0.020 0.000 0.853 395 Q CB 3.024 31.783 28.738 0.035 0.000 1.314 395 Q HN 0.798 nan 8.270 nan 0.000 0.448 396 L N 1.600 122.831 121.223 0.013 0.000 2.418 396 L HA 0.310 3.975 4.340 -1.125 0.000 0.265 396 L C 0.660 177.567 176.870 0.062 0.000 1.143 396 L CA -0.692 54.203 54.840 0.092 0.000 0.809 396 L CB 0.390 42.483 42.059 0.058 0.000 1.124 396 L HN 0.190 nan 8.230 nan 0.000 0.456 397 K N 1.203 121.633 120.400 0.051 0.000 2.202 397 K HA 0.069 3.714 4.320 -1.125 0.000 0.264 397 K C 0.415 177.000 176.600 -0.025 0.000 1.010 397 K CA -0.375 55.919 56.287 0.012 0.000 0.940 397 K CB 0.824 33.321 32.500 -0.005 0.000 0.983 397 K HN 0.450 nan 8.250 nan 0.000 0.475 398 D N 0.916 121.303 120.400 -0.022 0.000 2.133 398 D HA -0.198 3.767 4.640 -1.125 0.000 0.192 398 D C 1.686 177.960 176.300 -0.044 0.000 1.001 398 D CA 2.377 56.355 54.000 -0.038 0.000 0.844 398 D CB -0.336 40.448 40.800 -0.028 0.000 0.944 398 D HN 0.758 nan 8.370 nan 0.000 0.447 399 T N -0.852 113.675 114.554 -0.045 0.000 2.720 399 T HA -0.190 3.485 4.350 -1.125 0.000 0.268 399 T C 1.794 176.415 174.700 -0.132 0.000 1.037 399 T CA 1.440 63.515 62.100 -0.042 0.000 1.144 399 T CB -0.490 68.378 68.868 -0.000 0.000 0.864 399 T HN 0.257 nan 8.240 nan 0.000 0.444 400 E N 0.754 120.783 120.200 -0.286 0.000 2.150 400 E HA 0.019 3.694 4.350 -1.125 0.000 0.193 400 E C 2.067 178.729 176.600 0.102 0.000 0.985 400 E CA 0.763 56.995 56.400 -0.279 0.000 0.814 400 E CB -0.269 29.331 29.700 -0.167 0.000 0.752 400 E HN 0.321 nan 8.360 nan 0.000 0.466 401 L N 0.986 122.212 121.223 0.006 0.000 2.005 401 L HA -0.137 3.529 4.340 -1.125 0.000 0.207 401 L C 2.039 178.892 176.870 -0.029 0.000 1.072 401 L CA 1.519 56.325 54.840 -0.056 0.000 0.744 401 L CB -0.232 41.747 42.059 -0.133 0.000 0.895 401 L HN 0.099 nan 8.230 nan 0.000 0.433 402 I N -1.539 119.030 120.570 -0.002 0.000 2.163 402 I HA -0.372 3.123 4.170 -1.125 0.000 0.243 402 I C 2.436 178.637 176.117 0.139 0.000 1.085 402 I CA 1.945 63.260 61.300 0.025 0.000 1.347 402 I CB -0.561 37.452 38.000 0.021 0.000 1.044 402 I HN 0.370 nan 8.210 nan 0.000 0.408 403 Y N 1.692 122.057 120.300 0.108 0.000 2.165 403 Y HA -0.208 3.667 4.550 -1.125 0.000 0.286 403 Y C 2.375 178.460 175.900 0.308 0.000 1.155 403 Y CA 1.707 59.954 58.100 0.246 0.000 1.164 403 Y CB -0.738 37.849 38.460 0.212 0.000 0.978 403 Y HN 0.085 nan 8.280 nan 0.000 0.513 404 G N -0.098 108.900 108.800 0.331 0.000 2.421 404 G HA2 -0.266 3.020 3.960 -1.125 0.000 0.216 404 G HA3 -0.266 3.020 3.960 -1.125 0.000 0.216 404 G C 1.813 176.686 174.900 -0.045 0.000 1.171 404 G CA 1.049 46.245 45.100 0.159 0.000 0.775 404 G HN 0.617 nan 8.290 nan 0.000 0.543 405 A N 0.928 123.709 122.820 -0.066 0.000 1.877 405 A HA -0.021 3.624 4.320 -1.125 0.000 0.216 405 A C 2.309 179.918 177.584 0.041 0.000 1.186 405 A CA 2.003 53.986 52.037 -0.089 0.000 0.620 405 A CB -0.398 18.553 19.000 -0.081 0.000 0.822 405 A HN 0.371 nan 8.150 nan 0.000 0.443 406 K N -1.369 119.101 120.400 0.115 0.000 2.103 406 K HA -0.189 3.456 4.320 -1.125 0.000 0.207 406 K C 1.916 178.590 176.600 0.123 0.000 1.048 406 K CA 1.794 58.227 56.287 0.243 0.000 0.930 406 K CB -0.321 32.339 32.500 0.267 0.000 0.716 406 K HN 0.651 nan 8.250 nan 0.000 0.444 407 H N -0.147 118.852 119.070 -0.119 0.000 2.462 407 H HA 0.066 3.947 4.556 -1.125 0.000 0.292 407 H C 1.857 177.055 175.328 -0.217 0.000 1.049 407 H CA 1.053 56.926 56.048 -0.292 0.000 1.334 407 H CB 0.028 29.502 29.762 -0.479 0.000 1.404 407 H HN 0.250 nan 8.280 nan 0.000 0.544 408 A N 0.153 122.886 122.820 -0.143 0.000 1.969 408 A HA -0.184 3.461 4.320 -1.125 0.000 0.218 408 A C 1.966 179.539 177.584 -0.019 0.000 1.169 408 A CA 1.301 53.146 52.037 -0.321 0.000 0.635 408 A CB -0.766 17.671 19.000 -0.939 0.000 0.810 408 A HN 0.595 nan 8.150 nan 0.000 0.445 409 W N 0.863 122.139 121.300 -0.039 0.000 2.409 409 W HA -0.031 3.956 4.660 -1.121 0.000 0.299 409 W C 2.262 178.727 176.519 -0.089 0.000 1.203 409 W CA 1.192 58.566 57.345 0.047 0.000 1.298 409 W CB -0.593 28.888 29.460 0.035 0.000 1.127 409 W HN 0.348 nan 8.180 nan 0.000 0.528 410 R N 0.389 120.796 120.500 -0.155 0.000 2.105 410 R HA -0.173 3.492 4.340 -1.125 0.000 0.239 410 R C 1.450 177.556 176.300 -0.323 0.000 1.135 410 R CA 1.787 57.545 56.100 -0.569 0.000 0.967 410 R CB -0.488 29.059 30.300 -1.255 0.000 0.861 410 R HN 0.059 nan 8.270 nan 0.000 0.442 411 N N 0.293 118.875 118.700 -0.196 0.000 2.398 411 N HA 0.020 4.086 4.740 -1.125 0.000 0.188 411 N C -0.410 175.056 175.510 -0.074 0.000 1.122 411 N CA 0.568 53.536 53.050 -0.137 0.000 0.866 411 N CB 0.552 38.969 38.487 -0.117 0.000 0.970 411 N HN 0.152 nan 8.380 nan 0.000 0.462 412 A N 1.155 123.985 122.820 0.016 0.000 2.639 412 A HA 0.139 3.785 4.320 -1.125 0.000 0.295 412 A C 1.452 179.030 177.584 -0.009 0.000 1.443 412 A CA -0.154 51.903 52.037 0.033 0.000 1.117 412 A CB -0.315 18.766 19.000 0.135 0.000 1.098 412 A HN 0.284 nan 8.150 nan 0.000 0.552 413 S N 2.554 118.209 115.700 -0.075 0.000 2.465 413 S HA -0.178 3.618 4.470 -1.125 0.000 0.241 413 S C 1.416 175.984 174.600 -0.054 0.000 1.000 413 S CA 1.286 59.444 58.200 -0.071 0.000 0.964 413 S CB -0.205 62.918 63.200 -0.128 0.000 0.763 413 S HN 0.752 nan 8.310 nan 0.000 0.512 414 R N -0.457 119.984 120.500 -0.098 0.000 2.359 414 R HA 0.295 3.960 4.340 -1.125 0.000 0.231 414 R C -0.054 176.283 176.300 0.062 0.000 0.913 414 R CA -0.076 55.990 56.100 -0.058 0.000 1.075 414 R CB 0.077 30.138 30.300 -0.399 0.000 1.087 414 R HN 0.431 nan 8.270 nan 0.000 0.515 415 C N 0.333 119.648 119.300 0.024 0.000 2.273 415 C HA 0.251 4.036 4.460 -1.125 0.000 0.328 415 C C 1.864 176.823 174.990 -0.051 0.000 1.275 415 C CA -0.701 58.351 59.018 0.056 0.000 1.704 415 C CB 0.786 28.619 27.740 0.156 0.000 2.326 415 C HN 0.279 nan 8.230 nan 0.000 0.517 416 V N 5.726 125.567 119.914 -0.122 0.000 3.129 416 V HA 0.198 3.643 4.120 -1.125 0.000 0.259 416 V C 1.763 177.876 176.094 0.031 0.000 1.116 416 V CA 2.185 64.309 62.300 -0.294 0.000 1.127 416 V CB -0.090 31.596 31.823 -0.229 0.000 0.742 416 V HN 1.073 nan 8.190 nan 0.000 0.474 417 G N -0.677 108.175 108.800 0.087 0.000 3.448 417 G HA2 0.080 3.366 3.960 -1.125 0.000 0.261 417 G HA3 0.080 3.366 3.960 -1.125 0.000 0.261 417 G C 1.150 176.064 174.900 0.024 0.000 1.173 417 G CA -0.373 44.788 45.100 0.102 0.000 0.835 417 G HN 0.426 nan 8.290 nan 0.000 0.534 418 R N -0.131 120.323 120.500 -0.077 0.000 2.328 418 R HA 0.123 3.788 4.340 -1.125 0.000 0.207 418 R C 1.998 177.799 176.300 -0.831 0.000 1.056 418 R CA 0.123 55.905 56.100 -0.530 0.000 1.016 418 R CB -0.129 29.947 30.300 -0.373 0.000 0.872 418 R HN 0.466 nan 8.270 nan 0.000 0.471 419 I N 0.902 121.095 120.570 -0.629 0.000 2.700 419 I HA -0.249 3.246 4.170 -1.125 0.000 0.261 419 I C 1.233 177.190 176.117 -0.266 0.000 1.219 419 I CA 1.283 62.351 61.300 -0.387 0.000 1.463 419 I CB 0.169 38.138 38.000 -0.052 0.000 1.092 419 I HN 0.206 nan 8.210 nan 0.000 0.452 420 Q N 0.570 120.153 119.800 -0.363 0.000 2.403 420 Q HA -0.107 3.558 4.340 -1.125 0.000 0.203 420 Q C 1.657 177.160 176.000 -0.829 0.000 0.932 420 Q CA 0.511 56.088 55.803 -0.377 0.000 0.945 420 Q CB -0.253 28.407 28.738 -0.130 0.000 1.045 420 Q HN 0.790 nan 8.270 nan 0.000 0.511 421 W N 1.435 121.951 121.300 -1.307 0.000 2.290 421 W HA -0.291 3.694 4.660 -1.126 0.000 0.311 421 W C 1.334 177.473 176.519 -0.635 0.000 1.238 421 W CA 1.771 58.210 57.345 -1.511 0.000 1.255 421 W CB -1.363 27.437 29.460 -1.100 0.000 1.145 421 W HN 0.193 nan 8.180 nan 0.000 0.506 422 S N 0.648 115.424 115.700 -1.540 0.000 2.522 422 S HA 0.017 3.813 4.470 -1.125 0.000 0.227 422 S C 0.784 175.074 174.600 -0.518 0.000 0.986 422 S CA 0.390 57.822 58.200 -1.280 0.000 0.929 422 S CB -0.407 61.874 63.200 -1.531 0.000 0.769 422 S HN 0.279 nan 8.310 nan 0.000 0.529 423 K N 1.442 121.638 120.400 -0.341 0.000 2.290 423 K HA 0.491 4.136 4.320 -1.125 0.000 0.250 423 K C -1.342 175.317 176.600 0.098 0.000 1.092 423 K CA -0.348 55.881 56.287 -0.096 0.000 1.006 423 K CB 0.784 33.258 32.500 -0.042 0.000 1.549 423 K HN 0.243 nan 8.250 nan 0.000 0.436 424 L N 1.808 123.079 121.223 0.081 0.000 2.438 424 L HA 0.273 3.938 4.340 -1.125 0.000 0.270 424 L C -1.232 175.612 176.870 -0.044 0.000 0.972 424 L CA -0.548 54.367 54.840 0.124 0.000 0.831 424 L CB 1.971 44.183 42.059 0.255 0.000 1.273 424 L HN 0.320 nan 8.230 nan 0.000 0.405 425 Q N 3.328 123.053 119.800 -0.125 0.000 2.294 425 Q HA 0.574 4.240 4.340 -1.125 0.000 0.257 425 Q C -1.620 174.043 176.000 -0.562 0.000 0.955 425 Q CA -0.181 55.392 55.803 -0.385 0.000 0.936 425 Q CB 1.377 29.816 28.738 -0.500 0.000 1.188 425 Q HN 0.558 nan 8.270 nan 0.000 0.420 426 V N 5.896 125.473 119.914 -0.562 0.000 2.370 426 V HA 0.427 3.872 4.120 -1.125 0.000 0.283 426 V C -0.764 174.956 176.094 -0.624 0.000 1.023 426 V CA -0.567 61.449 62.300 -0.473 0.000 0.857 426 V CB 0.622 32.287 31.823 -0.263 0.000 0.985 426 V HN 0.664 nan 8.190 nan 0.000 0.443 427 F N 2.635 122.442 119.950 -0.238 0.000 2.361 427 F HA 0.360 4.217 4.527 -1.117 0.000 0.364 427 F C 0.504 176.119 175.800 -0.309 0.000 1.120 427 F CA -1.028 56.831 58.000 -0.235 0.000 1.102 427 F CB 1.035 39.912 39.000 -0.205 0.000 1.183 427 F HN 0.435 nan 8.300 nan 0.000 0.476 428 D N 3.412 123.752 120.400 -0.099 0.000 2.374 428 D HA 0.304 4.269 4.640 -1.125 0.000 0.240 428 D C 0.245 176.351 176.300 -0.324 0.000 1.229 428 D CA 0.173 54.046 54.000 -0.211 0.000 0.895 428 D CB 0.988 41.713 40.800 -0.126 0.000 1.046 428 D HN 0.602 nan 8.370 nan 0.000 0.498 429 A N 4.670 127.101 122.820 -0.648 0.000 2.708 429 A HA 0.153 3.798 4.320 -1.125 0.000 0.293 429 A C 1.637 178.905 177.584 -0.528 0.000 1.303 429 A CA -0.402 51.001 52.037 -1.057 0.000 0.949 429 A CB -0.028 17.809 19.000 -1.938 0.000 1.121 429 A HN 0.534 nan 8.150 nan 0.000 0.542 430 R N 0.505 120.825 120.500 -0.300 0.000 2.328 430 R HA -0.088 3.578 4.340 -1.125 0.000 0.207 430 R C 0.647 176.896 176.300 -0.085 0.000 1.056 430 R CA 1.226 57.225 56.100 -0.167 0.000 1.016 430 R CB 0.061 30.308 30.300 -0.089 0.000 0.872 430 R HN 0.686 nan 8.270 nan 0.000 0.471 431 D N -0.811 119.573 120.400 -0.026 0.000 2.339 431 D HA -0.054 3.911 4.640 -1.125 0.000 0.217 431 D C 0.422 176.799 176.300 0.128 0.000 1.050 431 D CA -0.277 53.761 54.000 0.063 0.000 0.856 431 D CB -0.530 40.331 40.800 0.101 0.000 0.922 431 D HN -0.022 nan 8.370 nan 0.000 0.518 432 C N 1.363 120.739 119.300 0.126 0.000 2.657 432 C HA 0.392 4.177 4.460 -1.125 0.000 0.420 432 C C 1.829 176.979 174.990 0.267 0.000 1.323 432 C CA 0.993 60.166 59.018 0.259 0.000 1.894 432 C CB -0.063 27.874 27.740 0.329 0.000 2.681 432 C HN 0.584 nan 8.230 nan 0.000 0.613 433 T N 0.196 114.951 114.554 0.334 0.000 3.046 433 T HA 0.269 3.944 4.350 -1.125 0.000 0.270 433 T C 0.223 175.104 174.700 0.303 0.000 0.920 433 T CA 0.598 62.914 62.100 0.360 0.000 0.874 433 T CB -0.149 68.856 68.868 0.229 0.000 1.214 433 T HN 0.946 nan 8.240 nan 0.000 0.536 434 T N -1.870 112.850 114.554 0.277 0.000 2.865 434 T HA 0.795 4.470 4.350 -1.125 0.000 0.294 434 T C 1.368 176.177 174.700 0.181 0.000 1.119 434 T CA -0.144 62.075 62.100 0.197 0.000 1.007 434 T CB 1.387 70.373 68.868 0.196 0.000 1.225 434 T HN 0.108 nan 8.240 nan 0.000 0.515 435 A N 0.049 122.955 122.820 0.143 0.000 1.969 435 A HA -0.005 3.641 4.320 -1.125 0.000 0.218 435 A C 1.954 179.546 177.584 0.014 0.000 1.169 435 A CA 1.743 53.835 52.037 0.091 0.000 0.635 435 A CB -1.390 17.704 19.000 0.157 0.000 0.810 435 A HN 0.993 nan 8.150 nan 0.000 0.445 436 H N -0.860 118.294 119.070 0.139 0.000 2.389 436 H HA 0.031 5.041 4.556 0.757 0.000 0.299 436 H C 2.357 177.704 175.328 0.033 0.000 1.081 436 H CA 1.473 57.574 56.048 0.089 0.000 1.345 436 H CB -0.193 29.695 29.762 0.210 0.000 1.393 436 H HN 0.477 nan 8.280 nan 0.000 0.520 437 G N -0.188 108.737 108.800 0.209 0.000 2.408 437 G HA2 -0.227 3.058 3.960 -1.125 0.000 0.217 437 G HA3 -0.227 3.058 3.960 -1.125 0.000 0.217 437 G C 1.583 176.628 174.900 0.241 0.000 1.150 437 G CA 0.758 45.975 45.100 0.196 0.000 0.776 437 G HN 0.287 nan 8.290 nan 0.000 0.542 438 M N -0.559 119.127 119.600 0.144 0.000 2.132 438 M HA 0.101 3.907 4.480 -1.125 0.000 0.263 438 M C 2.275 178.575 176.300 0.001 0.000 1.065 438 M CA 1.049 56.376 55.300 0.046 0.000 1.122 438 M CB -0.339 32.084 32.600 -0.294 0.000 1.365 438 M HN 0.300 nan 8.290 nan 0.000 0.411 439 F N 1.325 121.042 119.950 -0.389 0.000 2.126 439 F HA -0.297 3.625 4.527 -1.008 0.000 0.299 439 F C 2.114 177.779 175.800 -0.225 0.000 1.096 439 F CA 1.864 59.541 58.000 -0.540 0.000 1.255 439 F CB -0.208 38.017 39.000 -1.293 0.000 0.997 439 F HN 0.172 nan 8.300 nan 0.000 0.479 440 N N -0.286 118.219 118.700 -0.326 0.000 2.084 440 N HA -0.254 3.811 4.740 -1.125 0.000 0.190 440 N C 1.807 177.148 175.510 -0.281 0.000 1.030 440 N CA 2.075 54.905 53.050 -0.367 0.000 0.849 440 N CB -0.813 37.549 38.487 -0.208 0.000 1.012 440 N HN 0.487 nan 8.380 nan 0.000 0.423 441 Y N 0.419 120.652 120.300 -0.112 0.000 2.165 441 Y HA -0.074 3.797 4.550 -1.132 0.000 0.286 441 Y C 2.193 178.031 175.900 -0.103 0.000 1.155 441 Y CA 1.068 59.124 58.100 -0.074 0.000 1.164 441 Y CB -0.069 38.458 38.460 0.112 0.000 0.978 441 Y HN 0.127 nan 8.280 nan 0.000 0.513 442 I N -1.489 119.134 120.570 0.088 0.000 2.252 442 I HA -0.345 3.150 4.170 -1.125 0.000 0.245 442 I C 2.217 178.253 176.117 -0.135 0.000 1.102 442 I CA 0.873 62.164 61.300 -0.016 0.000 1.385 442 I CB -0.501 37.480 38.000 -0.032 0.000 1.064 442 I HN 0.321 nan 8.210 nan 0.000 0.414 443 C N 0.784 119.898 119.300 -0.311 0.000 2.425 443 C HA -0.119 3.666 4.460 -1.125 0.000 0.277 443 C C 2.583 177.471 174.990 -0.171 0.000 1.280 443 C CA 0.721 59.562 59.018 -0.294 0.000 1.744 443 C CB -1.445 26.001 27.740 -0.490 0.000 1.989 443 C HN 0.550 nan 8.230 nan 0.000 0.491 444 N N 0.045 118.626 118.700 -0.199 0.000 2.120 444 N HA -0.132 3.933 4.740 -1.125 0.000 0.188 444 N C 1.433 176.845 175.510 -0.164 0.000 1.024 444 N CA 1.425 54.358 53.050 -0.196 0.000 0.852 444 N CB -0.810 37.503 38.487 -0.289 0.000 1.003 444 N HN 0.767 nan 8.380 nan 0.000 0.424 445 H N 0.399 119.298 119.070 -0.285 0.000 2.270 445 H HA -0.040 3.842 4.556 -1.123 0.000 0.299 445 H C 1.850 177.191 175.328 0.022 0.000 1.077 445 H CA 1.833 57.775 56.048 -0.177 0.000 1.294 445 H CB -0.010 29.704 29.762 -0.080 0.000 1.371 445 H HN -0.107 nan 8.280 nan 0.000 0.491 446 V N 1.112 121.163 119.914 0.230 0.000 2.282 446 V HA -0.320 3.125 4.120 -1.125 0.000 0.249 446 V C 2.518 178.686 176.094 0.124 0.000 1.057 446 V CA 2.412 64.803 62.300 0.151 0.000 1.032 446 V CB -0.619 31.214 31.823 0.017 0.000 0.645 446 V HN 0.451 nan 8.190 nan 0.000 0.447 447 K N -1.191 119.252 120.400 0.072 0.000 2.097 447 K HA -0.225 3.420 4.320 -1.125 0.000 0.205 447 K C 2.242 178.887 176.600 0.075 0.000 1.050 447 K CA 1.738 58.056 56.287 0.051 0.000 0.938 447 K CB -0.311 32.199 32.500 0.016 0.000 0.718 447 K HN 0.541 nan 8.250 nan 0.000 0.442 448 Y N 0.741 121.057 120.300 0.028 0.000 2.114 448 Y HA -0.202 3.672 4.550 -1.127 0.000 0.284 448 Y C 2.009 177.972 175.900 0.104 0.000 1.143 448 Y CA 1.890 60.035 58.100 0.075 0.000 1.135 448 Y CB -0.472 38.069 38.460 0.135 0.000 0.980 448 Y HN 0.136 nan 8.280 nan 0.000 0.499 449 A N -0.906 122.022 122.820 0.180 0.000 1.930 449 A HA -0.128 3.517 4.320 -1.125 0.000 0.217 449 A C 2.183 179.804 177.584 0.063 0.000 1.175 449 A CA 2.048 54.161 52.037 0.127 0.000 0.627 449 A CB -1.243 17.913 19.000 0.261 0.000 0.815 449 A HN 0.520 nan 8.150 nan 0.000 0.443 450 T N 0.010 114.607 114.554 0.072 0.000 2.777 450 T HA -0.121 3.554 4.350 -1.125 0.000 0.266 450 T C 1.097 175.802 174.700 0.008 0.000 1.040 450 T CA 1.199 63.337 62.100 0.063 0.000 1.141 450 T CB -0.448 68.457 68.868 0.062 0.000 0.868 450 T HN 0.623 nan 8.240 nan 0.000 0.444 451 N N 1.378 120.048 118.700 -0.049 0.000 2.707 451 N HA -0.236 3.829 4.740 -1.125 0.000 0.253 451 N C -0.247 175.236 175.510 -0.045 0.000 0.998 451 N CA 0.699 53.698 53.050 -0.086 0.000 0.751 451 N CB -1.452 36.942 38.487 -0.155 0.000 0.920 451 N HN 0.586 nan 8.380 nan 0.000 0.539 452 K N -2.521 117.865 120.400 -0.023 0.000 3.088 452 K HA -0.239 3.406 4.320 -1.125 0.000 0.273 452 K C 1.041 177.631 176.600 -0.017 0.000 1.111 452 K CA 0.997 57.274 56.287 -0.017 0.000 0.803 452 K CB -1.737 30.749 32.500 -0.023 0.000 1.226 452 K HN 0.913 nan 8.250 nan 0.000 0.485 453 G N 0.658 109.456 108.800 -0.003 0.000 2.259 453 G HA2 -0.315 2.971 3.960 -1.125 0.000 0.217 453 G HA3 -0.315 2.971 3.960 -1.125 0.000 0.217 453 G C -0.122 174.778 174.900 -0.000 0.000 1.001 453 G CA 0.117 45.219 45.100 0.004 0.000 0.627 453 G HN 0.460 nan 8.290 nan 0.000 0.501 454 N N 1.583 120.268 118.700 -0.025 0.000 3.034 454 N HA 0.439 4.505 4.740 -1.125 0.000 0.265 454 N C 0.671 176.165 175.510 -0.026 0.000 1.166 454 N CA -0.505 52.515 53.050 -0.051 0.000 1.081 454 N CB -0.190 38.260 38.487 -0.062 0.000 1.378 454 N HN 0.360 nan 8.380 nan 0.000 0.520 455 L N 2.057 123.298 121.223 0.031 0.000 2.514 455 L HA 0.109 3.775 4.340 -1.125 0.000 0.280 455 L C 0.610 177.615 176.870 0.224 0.000 1.223 455 L CA 0.430 55.359 54.840 0.149 0.000 0.864 455 L CB 0.236 42.477 42.059 0.304 0.000 1.118 455 L HN 0.378 nan 8.230 nan 0.000 0.494 456 R N 1.520 122.139 120.500 0.198 0.000 2.513 456 R HA 0.341 4.006 4.340 -1.125 0.000 0.301 456 R C -0.725 175.726 176.300 0.252 0.000 0.968 456 R CA -0.593 55.645 56.100 0.229 0.000 0.872 456 R CB 2.118 32.434 30.300 0.026 0.000 1.177 456 R HN 0.597 nan 8.270 nan 0.000 0.444 457 S N 1.476 117.316 115.700 0.233 0.000 2.562 457 S HA 0.489 4.284 4.470 -1.125 0.000 0.281 457 S C -0.198 174.438 174.600 0.061 0.000 1.333 457 S CA -0.242 57.995 58.200 0.062 0.000 1.052 457 S CB 1.270 64.452 63.200 -0.031 0.000 0.884 457 S HN 0.713 nan 8.310 nan 0.000 0.506 458 A N 2.182 124.985 122.820 -0.028 0.000 2.610 458 A HA 0.830 4.475 4.320 -1.125 0.000 0.291 458 A C -1.337 176.200 177.584 -0.078 0.000 1.086 458 A CA -0.688 51.269 52.037 -0.134 0.000 0.677 458 A CB 1.165 20.055 19.000 -0.184 0.000 1.278 458 A HN 0.816 nan 8.150 nan 0.000 0.414 459 I N 0.169 120.699 120.570 -0.065 0.000 2.752 459 I HA 0.646 4.141 4.170 -1.125 0.000 0.295 459 I C -1.245 174.950 176.117 0.130 0.000 1.219 459 I CA -0.108 61.283 61.300 0.151 0.000 1.030 459 I CB 2.419 40.470 38.000 0.085 0.000 1.259 459 I HN 0.607 nan 8.210 nan 0.000 0.423 460 T N 7.753 122.431 114.554 0.207 0.000 2.792 460 T HA 0.576 4.251 4.350 -1.125 0.000 0.280 460 T C -0.405 174.095 174.700 -0.333 0.000 0.990 460 T CA -0.258 61.818 62.100 -0.039 0.000 0.960 460 T CB 0.990 69.853 68.868 -0.008 0.000 0.939 460 T HN 0.301 nan 8.240 nan 0.000 0.439 461 I N 4.129 124.398 120.570 -0.501 0.000 2.354 461 I HA 0.401 3.896 4.170 -1.125 0.000 0.286 461 I C -0.428 175.301 176.117 -0.647 0.000 1.007 461 I CA -0.673 60.327 61.300 -0.499 0.000 1.167 461 I CB 0.659 38.343 38.000 -0.527 0.000 1.320 461 I HN 0.459 nan 8.210 nan 0.000 0.458 462 F N 6.623 126.468 119.950 -0.174 0.000 2.368 462 F HA 0.414 4.273 4.527 -1.114 0.000 0.308 462 F C -1.834 173.838 175.800 -0.214 0.000 1.198 462 F CA -2.229 55.600 58.000 -0.285 0.000 1.130 462 F CB -0.233 38.621 39.000 -0.243 0.000 1.300 462 F HN 0.232 nan 8.300 nan 0.000 0.537 463 P HA -0.010 nan 4.420 nan 0.000 0.265 463 P C -1.014 176.283 177.300 -0.005 0.000 1.187 463 P CA -0.133 62.838 63.100 -0.214 0.000 0.766 463 P CB 0.192 31.590 31.700 -0.503 0.000 0.820 464 Q N 2.829 122.588 119.800 -0.068 0.000 2.492 464 Q HA 0.154 3.819 4.340 -1.125 0.000 0.238 464 Q C 0.152 176.055 176.000 -0.162 0.000 1.045 464 Q CA -0.576 54.984 55.803 -0.406 0.000 0.934 464 Q CB 0.730 28.973 28.738 -0.826 0.000 1.276 464 Q HN 0.328 nan 8.270 nan 0.000 0.521 465 R N 0.156 120.546 120.500 -0.183 0.000 2.643 465 R HA 0.040 3.705 4.340 -1.125 0.000 0.270 465 R C 0.239 176.501 176.300 -0.063 0.000 1.061 465 R CA 0.948 57.016 56.100 -0.054 0.000 1.107 465 R CB 0.579 30.843 30.300 -0.058 0.000 0.999 465 R HN 0.977 nan 8.270 nan 0.000 0.460 466 T N -0.834 113.718 114.554 -0.003 0.000 3.478 466 T HA 0.030 3.705 4.350 -1.125 0.000 0.223 466 T C 0.686 175.380 174.700 -0.011 0.000 0.958 466 T CA 0.330 62.414 62.100 -0.027 0.000 1.324 466 T CB -0.187 68.651 68.868 -0.050 0.000 1.262 466 T HN 0.737 nan 8.240 nan 0.000 0.379 467 D N 0.309 120.721 120.400 0.020 0.000 2.440 467 D HA 0.419 4.384 4.640 -1.125 0.000 0.216 467 D C 1.531 177.882 176.300 0.084 0.000 1.150 467 D CA 0.352 54.379 54.000 0.045 0.000 0.832 467 D CB -0.071 40.758 40.800 0.047 0.000 0.992 467 D HN 0.813 nan 8.370 nan 0.000 0.502 468 G N 1.043 109.896 108.800 0.089 0.000 2.284 468 G HA2 -0.406 2.879 3.960 -1.125 0.000 0.261 468 G HA3 -0.406 2.879 3.960 -1.125 0.000 0.261 468 G C 1.078 176.036 174.900 0.097 0.000 0.997 468 G CA 0.464 45.609 45.100 0.075 0.000 0.621 468 G HN 0.428 nan 8.290 nan 0.000 0.534 469 K N 0.111 120.619 120.400 0.179 0.000 2.417 469 K HA 0.220 3.865 4.320 -1.125 0.000 0.196 469 K C 0.248 176.756 176.600 -0.153 0.000 1.023 469 K CA 0.406 56.733 56.287 0.066 0.000 1.122 469 K CB 0.172 32.709 32.500 0.062 0.000 0.850 469 K HN 0.598 nan 8.250 nan 0.000 0.521 470 H N -0.170 118.901 119.070 0.001 0.000 2.901 470 H HA 0.195 4.076 4.556 -1.125 0.000 0.227 470 H C -1.286 174.029 175.328 -0.022 0.000 1.390 470 H CA -0.985 55.045 56.048 -0.030 0.000 1.120 470 H CB 0.077 29.843 29.762 0.006 0.000 2.131 470 H HN -0.023 nan 8.280 nan 0.000 0.549 471 D N 0.348 120.783 120.400 0.058 0.000 2.302 471 D HA 0.143 4.108 4.640 -1.125 0.000 0.248 471 D C -0.048 176.262 176.300 0.017 0.000 1.094 471 D CA 0.027 54.086 54.000 0.099 0.000 0.897 471 D CB 0.740 41.579 40.800 0.066 0.000 1.200 471 D HN 0.094 nan 8.370 nan 0.000 0.429 472 F N 1.959 121.935 119.950 0.044 0.000 2.394 472 F HA 0.442 4.290 4.527 -1.132 0.000 0.340 472 F C 0.914 176.727 175.800 0.021 0.000 1.105 472 F CA -0.282 57.726 58.000 0.013 0.000 1.124 472 F CB 0.870 39.890 39.000 0.032 0.000 1.145 472 F HN -0.139 nan 8.300 nan 0.000 0.505 473 R N 1.750 122.329 120.500 0.131 0.000 2.668 473 R HA 0.540 4.205 4.340 -1.125 0.000 0.272 473 R C -1.826 174.577 176.300 0.173 0.000 1.019 473 R CA -0.948 55.241 56.100 0.149 0.000 0.894 473 R CB 2.072 32.459 30.300 0.146 0.000 1.228 473 R HN 0.353 nan 8.270 nan 0.000 0.460 474 V N 2.679 122.691 119.914 0.163 0.000 2.311 474 V HA 0.158 3.603 4.120 -1.125 0.000 0.275 474 V C 0.365 176.632 176.094 0.289 0.000 1.022 474 V CA -0.546 61.852 62.300 0.164 0.000 0.830 474 V CB 1.130 32.990 31.823 0.062 0.000 1.012 474 V HN 0.739 nan 8.190 nan 0.000 0.452 475 W N 2.408 123.766 121.300 0.097 0.000 2.421 475 W HA -0.043 3.958 4.660 -1.097 0.000 0.270 475 W C 1.069 177.728 176.519 0.232 0.000 1.233 475 W CA -0.037 57.471 57.345 0.272 0.000 1.226 475 W CB -0.717 29.010 29.460 0.444 0.000 1.121 475 W HN 0.524 nan 8.180 nan 0.000 0.579 476 N N -0.261 118.547 118.700 0.179 0.000 2.415 476 N HA 0.021 4.087 4.740 -1.125 0.000 0.248 476 N C 1.370 176.732 175.510 -0.247 0.000 1.271 476 N CA 0.876 53.694 53.050 -0.388 0.000 0.913 476 N CB 0.623 38.940 38.487 -0.284 0.000 1.129 476 N HN -0.113 nan 8.380 nan 0.000 0.444 477 S N 0.087 115.589 115.700 -0.330 0.000 2.421 477 S HA 0.032 3.827 4.470 -1.125 0.000 0.224 477 S C 0.256 174.740 174.600 -0.194 0.000 1.035 477 S CA 0.467 58.558 58.200 -0.182 0.000 0.953 477 S CB 0.073 63.199 63.200 -0.122 0.000 0.810 477 S HN 0.629 nan 8.310 nan 0.000 0.497 478 Q N -0.368 119.292 119.800 -0.234 0.000 2.397 478 Q HA 0.521 4.187 4.340 -1.125 0.000 0.275 478 Q C 0.207 176.033 176.000 -0.289 0.000 1.090 478 Q CA -0.486 55.169 55.803 -0.246 0.000 0.809 478 Q CB 2.147 30.780 28.738 -0.175 0.000 1.362 478 Q HN 0.114 nan 8.270 nan 0.000 0.431 479 L N 0.871 121.919 121.223 -0.291 0.000 2.079 479 L HA -0.072 3.593 4.340 -1.125 0.000 0.210 479 L C 0.548 177.226 176.870 -0.321 0.000 1.081 479 L CA 1.438 56.118 54.840 -0.266 0.000 0.752 479 L CB -0.084 41.817 42.059 -0.264 0.000 0.896 479 L HN 0.513 nan 8.230 nan 0.000 0.433 480 I N -0.291 119.986 120.570 -0.488 0.000 2.418 480 I HA 0.358 3.854 4.170 -1.125 0.000 0.287 480 I C -0.355 175.116 176.117 -1.077 0.000 1.008 480 I CA -0.348 60.511 61.300 -0.735 0.000 1.104 480 I CB 1.518 39.007 38.000 -0.851 0.000 1.264 480 I HN 0.076 nan 8.210 nan 0.000 0.438 481 R N 4.386 124.425 120.500 -0.768 0.000 2.710 481 R HA 0.466 4.132 4.340 -1.125 0.000 0.270 481 R C -1.724 174.321 176.300 -0.424 0.000 1.021 481 R CA -1.042 54.732 56.100 -0.544 0.000 0.889 481 R CB 2.433 32.589 30.300 -0.240 0.000 1.243 481 R HN 0.378 nan 8.270 nan 0.000 0.464 482 Y N 0.337 120.645 120.300 0.013 0.000 2.310 482 Y HA 0.468 4.344 4.550 -1.123 0.000 0.326 482 Y C 0.895 176.823 175.900 0.046 0.000 1.151 482 Y CA -0.639 57.500 58.100 0.064 0.000 1.195 482 Y CB 1.419 39.940 38.460 0.101 0.000 1.210 482 Y HN 0.634 nan 8.280 nan 0.000 0.483 483 A N 1.679 124.625 122.820 0.210 0.000 2.346 483 A HA 0.646 4.291 4.320 -1.125 0.000 0.252 483 A C 0.375 177.852 177.584 -0.179 0.000 1.089 483 A CA 0.263 52.290 52.037 -0.018 0.000 0.797 483 A CB -0.118 18.895 19.000 0.021 0.000 1.047 483 A HN 0.897 nan 8.150 nan 0.000 0.494 484 G N -0.416 108.135 108.800 -0.415 0.000 2.719 484 G HA2 0.594 3.879 3.960 -1.125 0.000 0.298 484 G HA3 0.594 3.879 3.960 -1.125 0.000 0.298 484 G C -1.515 173.129 174.900 -0.427 0.000 1.433 484 G CA -0.337 44.565 45.100 -0.330 0.000 1.034 484 G HN 0.575 nan 8.290 nan 0.000 0.517 485 Y N 0.336 120.669 120.300 0.054 0.000 2.442 485 Y HA 0.493 4.366 4.550 -1.127 0.000 0.344 485 Y C 0.310 176.221 175.900 0.018 0.000 0.976 485 Y CA -1.414 56.712 58.100 0.042 0.000 1.040 485 Y CB 2.107 40.595 38.460 0.047 0.000 1.228 485 Y HN 0.294 nan 8.280 nan 0.000 0.451 486 K N 3.737 124.234 120.400 0.162 0.000 2.338 486 K HA 0.194 3.839 4.320 -1.125 0.000 0.290 486 K C -0.360 176.287 176.600 0.078 0.000 1.069 486 K CA -0.226 56.116 56.287 0.091 0.000 0.941 486 K CB 0.552 33.087 32.500 0.058 0.000 1.023 486 K HN 0.700 nan 8.250 nan 0.000 0.477 487 Q N 2.689 122.525 119.800 0.060 0.000 2.317 487 Q HA 0.085 3.751 4.340 -1.125 0.000 0.229 487 Q C -1.639 174.373 176.000 0.019 0.000 0.984 487 Q CA -1.964 53.859 55.803 0.032 0.000 0.911 487 Q CB 0.474 29.227 28.738 0.025 0.000 1.217 487 Q HN 0.291 nan 8.270 nan 0.000 0.501 488 P HA -0.198 nan 4.420 nan 0.000 0.216 488 P C 0.572 177.875 177.300 0.006 0.000 1.150 488 P CA 1.266 64.368 63.100 0.004 0.000 0.843 488 P CB 0.149 31.847 31.700 -0.004 0.000 0.787 489 D N -1.238 119.167 120.400 0.007 0.000 2.411 489 D HA -0.089 3.876 4.640 -1.125 0.000 0.226 489 D C 1.640 177.947 176.300 0.011 0.000 0.988 489 D CA 1.342 55.347 54.000 0.008 0.000 0.938 489 D CB -0.915 39.890 40.800 0.009 0.000 0.883 489 D HN 0.179 nan 8.370 nan 0.000 0.525 490 G N -0.298 108.510 108.800 0.013 0.000 2.284 490 G HA2 -0.354 2.932 3.960 -1.125 0.000 0.261 490 G HA3 -0.354 2.932 3.960 -1.125 0.000 0.261 490 G C 0.635 175.545 174.900 0.018 0.000 0.997 490 G CA 1.069 46.178 45.100 0.015 0.000 0.621 490 G HN 0.702 nan 8.290 nan 0.000 0.534 491 S N -0.558 115.153 115.700 0.018 0.000 2.626 491 S HA 0.640 4.435 4.470 -1.125 0.000 0.257 491 S C 0.101 174.715 174.600 0.024 0.000 1.288 491 S CA 0.713 58.924 58.200 0.019 0.000 0.980 491 S CB 1.601 64.812 63.200 0.018 0.000 0.975 491 S HN 0.645 nan 8.310 nan 0.000 0.577 492 T N 1.205 115.770 114.554 0.018 0.000 2.841 492 T HA 0.526 4.201 4.350 -1.125 0.000 0.283 492 T C -1.029 173.686 174.700 0.025 0.000 1.000 492 T CA -0.511 61.603 62.100 0.023 0.000 0.977 492 T CB 1.134 69.999 68.868 -0.005 0.000 0.979 492 T HN 0.560 nan 8.240 nan 0.000 0.446 493 L N 3.741 125.018 121.223 0.089 0.000 2.282 493 L HA 0.731 4.396 4.340 -1.125 0.000 0.288 493 L C 0.690 177.635 176.870 0.126 0.000 1.033 493 L CA 1.113 56.029 54.840 0.128 0.000 0.807 493 L CB -0.063 42.117 42.059 0.202 0.000 1.209 493 L HN 0.970 nan 8.230 nan 0.000 0.423 494 G N 4.024 112.825 108.800 0.002 0.000 2.488 494 G HA2 -0.233 3.052 3.960 -1.125 0.000 0.237 494 G HA3 -0.233 3.052 3.960 -1.125 0.000 0.237 494 G C -0.622 174.006 174.900 -0.454 0.000 1.209 494 G CA 0.005 45.042 45.100 -0.106 0.000 0.929 494 G HN 0.800 nan 8.290 nan 0.000 0.578 495 D N 1.849 122.084 120.400 -0.276 0.000 2.365 495 D HA 0.474 4.439 4.640 -1.125 0.000 0.237 495 D C -0.917 175.310 176.300 -0.122 0.000 1.190 495 D CA -1.642 52.201 54.000 -0.262 0.000 0.867 495 D CB 1.242 42.168 40.800 0.210 0.000 1.050 495 D HN -0.016 nan 8.370 nan 0.000 0.491 496 P HA -0.151 nan 4.420 nan 0.000 0.217 496 P C 0.951 178.248 177.300 -0.005 0.000 1.148 496 P CA 1.107 64.170 63.100 -0.061 0.000 0.828 496 P CB 0.263 31.927 31.700 -0.060 0.000 0.783 497 A N -0.727 122.109 122.820 0.026 0.000 2.067 497 A HA -0.133 3.512 4.320 -1.125 0.000 0.219 497 A C 1.704 179.325 177.584 0.063 0.000 1.158 497 A CA 1.373 53.445 52.037 0.059 0.000 0.661 497 A CB -0.876 18.179 19.000 0.091 0.000 0.801 497 A HN 0.170 nan 8.150 nan 0.000 0.452 498 N N -0.365 118.364 118.700 0.048 0.000 2.214 498 N HA 0.115 4.180 4.740 -1.125 0.000 0.214 498 N C 1.201 176.723 175.510 0.019 0.000 1.132 498 N CA 0.249 53.331 53.050 0.055 0.000 0.856 498 N CB 0.563 39.084 38.487 0.057 0.000 1.020 498 N HN 0.208 nan 8.380 nan 0.000 0.509 499 V N 1.341 121.249 119.914 -0.009 0.000 2.252 499 V HA -0.291 3.155 4.120 -1.125 0.000 0.249 499 V C 2.610 178.681 176.094 -0.037 0.000 1.056 499 V CA 1.930 64.210 62.300 -0.033 0.000 1.022 499 V CB -0.435 31.384 31.823 -0.008 0.000 0.641 499 V HN 0.391 nan 8.190 nan 0.000 0.445 500 Q N -1.296 118.484 119.800 -0.033 0.000 2.224 500 Q HA -0.225 3.440 4.340 -1.125 0.000 0.203 500 Q C 2.070 177.941 176.000 -0.214 0.000 0.970 500 Q CA 1.897 57.634 55.803 -0.109 0.000 0.865 500 Q CB -0.139 28.539 28.738 -0.100 0.000 0.922 500 Q HN 0.646 nan 8.270 nan 0.000 0.445 501 F N 0.401 120.173 119.950 -0.297 0.000 2.187 501 F HA -0.031 3.817 4.527 -1.131 0.000 0.295 501 F C 2.061 177.738 175.800 -0.205 0.000 1.091 501 F CA 1.578 59.379 58.000 -0.332 0.000 1.308 501 F CB -0.352 38.515 39.000 -0.222 0.000 1.030 501 F HN -0.040 nan 8.300 nan 0.000 0.487 502 T N 0.171 114.682 114.554 -0.071 0.000 2.897 502 T HA -0.183 3.492 4.350 -1.125 0.000 0.271 502 T C 1.658 176.328 174.700 -0.050 0.000 1.084 502 T CA 1.738 63.772 62.100 -0.109 0.000 1.123 502 T CB -0.297 68.448 68.868 -0.204 0.000 0.865 502 T HN 0.425 nan 8.240 nan 0.000 0.496 503 E N 0.390 120.531 120.200 -0.097 0.000 2.086 503 E HA 0.109 3.784 4.350 -1.125 0.000 0.190 503 E C 2.083 178.617 176.600 -0.110 0.000 0.975 503 E CA 0.493 56.861 56.400 -0.052 0.000 0.813 503 E CB -0.048 29.619 29.700 -0.056 0.000 0.768 503 E HN 0.454 nan 8.360 nan 0.000 0.457 504 I N 0.944 121.371 120.570 -0.238 0.000 2.700 504 I HA -0.247 3.248 4.170 -1.125 0.000 0.261 504 I C 1.995 177.975 176.117 -0.229 0.000 1.219 504 I CA 0.406 61.571 61.300 -0.225 0.000 1.463 504 I CB -0.246 37.584 38.000 -0.284 0.000 1.092 504 I HN 0.248 nan 8.210 nan 0.000 0.452 505 C N 0.545 119.668 119.300 -0.296 0.000 2.467 505 C HA -0.003 3.782 4.460 -1.125 0.000 0.279 505 C C 2.651 177.681 174.990 0.067 0.000 1.347 505 C CA 0.299 59.202 59.018 -0.193 0.000 1.748 505 C CB -0.571 26.996 27.740 -0.288 0.000 1.977 505 C HN 0.428 nan 8.230 nan 0.000 0.501 506 I N 0.402 121.029 120.570 0.096 0.000 2.235 506 I HA -0.202 3.293 4.170 -1.125 0.000 0.241 506 I C 2.704 178.827 176.117 0.010 0.000 1.085 506 I CA 1.223 62.580 61.300 0.095 0.000 1.378 506 I CB -0.798 37.257 38.000 0.093 0.000 1.076 506 I HN 0.334 nan 8.210 nan 0.000 0.415 507 Q N 0.704 120.487 119.800 -0.028 0.000 2.389 507 Q HA -0.257 3.408 4.340 -1.125 0.000 0.213 507 Q C 1.793 177.753 176.000 -0.068 0.000 0.989 507 Q CA 1.387 57.151 55.803 -0.064 0.000 0.891 507 Q CB 0.190 28.874 28.738 -0.089 0.000 0.923 507 Q HN 0.507 nan 8.270 nan 0.000 0.455 508 Q N -2.302 117.473 119.800 -0.042 0.000 2.378 508 Q HA 0.168 3.833 4.340 -1.125 0.000 0.229 508 Q C 1.206 177.189 176.000 -0.029 0.000 0.882 508 Q CA 1.145 56.925 55.803 -0.038 0.000 0.936 508 Q CB 1.671 30.375 28.738 -0.056 0.000 1.092 508 Q HN 0.497 nan 8.270 nan 0.000 0.535 509 G N -0.680 108.123 108.800 0.004 0.000 3.033 509 G HA2 -0.178 3.107 3.960 -1.125 0.000 0.208 509 G HA3 -0.178 3.107 3.960 -1.125 0.000 0.208 509 G C -0.487 174.451 174.900 0.062 0.000 1.006 509 G CA -0.381 44.724 45.100 0.007 0.000 0.808 509 G HN 0.168 nan 8.290 nan 0.000 0.499 510 W N 3.557 124.800 121.300 -0.095 0.000 2.391 510 W HA 0.445 4.424 4.660 -1.134 0.000 0.339 510 W C 0.361 176.860 176.519 -0.032 0.000 1.252 510 W CA 0.379 57.682 57.345 -0.069 0.000 1.304 510 W CB 0.506 29.925 29.460 -0.069 0.000 1.179 510 W HN 0.038 nan 8.180 nan 0.000 0.567 511 K N 6.271 126.302 120.400 -0.616 0.000 2.290 511 K HA 0.472 4.117 4.320 -1.125 0.000 0.250 511 K C 0.008 175.956 176.600 -1.086 0.000 1.092 511 K CA -0.516 55.405 56.287 -0.609 0.000 1.006 511 K CB 0.281 32.576 32.500 -0.341 0.000 1.549 511 K HN 0.471 nan 8.250 nan 0.000 0.436 512 A N 3.597 125.745 122.820 -1.120 0.000 2.522 512 A HA 0.146 3.792 4.320 -1.125 0.000 0.256 512 A C -1.610 175.656 177.584 -0.531 0.000 1.086 512 A CA -0.893 50.474 52.037 -1.117 0.000 0.763 512 A CB -0.041 18.777 19.000 -0.303 0.000 1.024 512 A HN 0.464 nan 8.150 nan 0.000 0.502 513 P HA 0.020 nan 4.420 nan 0.000 0.242 513 P C 0.088 177.303 177.300 -0.141 0.000 1.197 513 P CA -0.117 62.886 63.100 -0.162 0.000 0.765 513 P CB 0.085 31.770 31.700 -0.024 0.000 0.936 514 R N -0.490 119.860 120.500 -0.249 0.000 3.158 514 R HA -0.132 3.533 4.340 -1.125 0.000 0.244 514 R C 0.610 176.854 176.300 -0.094 0.000 0.900 514 R CA 0.545 56.358 56.100 -0.480 0.000 0.618 514 R CB -1.949 28.021 30.300 -0.549 0.000 1.061 514 R HN 0.332 nan 8.270 nan 0.000 0.471 515 G N -0.766 108.129 108.800 0.158 0.000 2.820 515 G HA2 0.393 3.678 3.960 -1.125 0.000 0.291 515 G HA3 0.393 3.678 3.960 -1.125 0.000 0.291 515 G C 0.288 175.371 174.900 0.304 0.000 1.323 515 G CA -0.565 44.658 45.100 0.205 0.000 1.055 515 G HN 0.285 nan 8.290 nan 0.000 0.520 516 R N -1.477 119.213 120.500 0.316 0.000 2.280 516 R HA 0.225 3.890 4.340 -1.125 0.000 0.195 516 R C -0.370 176.019 176.300 0.148 0.000 0.935 516 R CA 0.310 56.590 56.100 0.299 0.000 1.033 516 R CB 0.038 30.582 30.300 0.408 0.000 0.964 516 R HN 0.309 nan 8.270 nan 0.000 0.489 517 F N 1.073 121.085 119.950 0.103 0.000 2.627 517 F HA 0.269 4.120 4.527 -1.126 0.000 0.344 517 F C -1.250 174.683 175.800 0.222 0.000 1.505 517 F CA -1.277 56.633 58.000 -0.150 0.000 1.111 517 F CB 0.907 39.579 39.000 -0.546 0.000 1.585 517 F HN -0.215 nan 8.300 nan 0.000 0.582 518 D N 1.614 122.326 120.400 0.520 0.000 2.339 518 D HA 0.190 4.155 4.640 -1.125 0.000 0.241 518 D C 0.275 176.885 176.300 0.517 0.000 1.183 518 D CA -0.052 54.269 54.000 0.534 0.000 0.859 518 D CB 2.074 43.239 40.800 0.608 0.000 1.067 518 D HN -0.039 nan 8.370 nan 0.000 0.484 519 V N 3.957 124.121 119.914 0.416 0.000 2.475 519 V HA -0.083 3.362 4.120 -1.125 0.000 0.292 519 V C 1.214 177.346 176.094 0.063 0.000 1.003 519 V CA 0.025 62.413 62.300 0.148 0.000 1.120 519 V CB -0.301 31.573 31.823 0.085 0.000 0.937 519 V HN 0.377 nan 8.190 nan 0.000 0.476 520 L N 8.348 129.507 121.223 -0.106 0.000 2.473 520 L HA 0.260 3.925 4.340 -1.125 0.000 0.265 520 L C -1.745 174.933 176.870 -0.319 0.000 1.243 520 L CA -1.055 53.584 54.840 -0.335 0.000 0.822 520 L CB 0.434 42.372 42.059 -0.202 0.000 1.101 520 L HN 0.480 nan 8.230 nan 0.000 0.507 521 P HA 0.281 nan 4.420 nan 0.000 0.296 521 P C -1.082 176.155 177.300 -0.104 0.000 1.301 521 P CA -0.653 62.260 63.100 -0.312 0.000 0.862 521 P CB 1.323 32.693 31.700 -0.550 0.000 1.046 522 L N 2.771 124.004 121.223 0.016 0.000 2.456 522 L HA 0.216 3.882 4.340 -1.125 0.000 0.272 522 L C 0.893 177.828 176.870 0.108 0.000 1.189 522 L CA -0.093 54.809 54.840 0.104 0.000 0.846 522 L CB 0.071 42.224 42.059 0.157 0.000 1.111 522 L HN 0.298 nan 8.230 nan 0.000 0.475 523 L N 5.353 126.662 121.223 0.143 0.000 2.384 523 L HA 0.428 4.093 4.340 -1.125 0.000 0.261 523 L C -0.778 176.069 176.870 -0.038 0.000 1.024 523 L CA -0.386 54.456 54.840 0.003 0.000 0.899 523 L CB 0.782 42.864 42.059 0.037 0.000 1.243 523 L HN 0.522 nan 8.230 nan 0.000 0.449 524 L N 3.449 124.658 121.223 -0.024 0.000 2.289 524 L HA 0.448 4.113 4.340 -1.125 0.000 0.285 524 L C -0.035 176.728 176.870 -0.178 0.000 1.049 524 L CA -0.229 54.575 54.840 -0.059 0.000 0.804 524 L CB 1.563 43.605 42.059 -0.029 0.000 1.195 524 L HN 0.529 nan 8.230 nan 0.000 0.428 525 Q N 2.927 122.621 119.800 -0.178 0.000 2.333 525 Q HA 0.709 4.374 4.340 -1.125 0.000 0.268 525 Q C -1.404 174.441 176.000 -0.258 0.000 1.007 525 Q CA -0.615 55.041 55.803 -0.245 0.000 0.810 525 Q CB 2.040 30.681 28.738 -0.161 0.000 1.264 525 Q HN 0.785 nan 8.270 nan 0.000 0.452 526 A N 3.935 126.546 122.820 -0.349 0.000 2.350 526 A HA 0.361 4.007 4.320 -1.125 0.000 0.324 526 A C 0.204 177.306 177.584 -0.804 0.000 1.118 526 A CA -0.362 51.279 52.037 -0.659 0.000 0.783 526 A CB 0.861 19.708 19.000 -0.255 0.000 1.236 526 A HN 1.160 nan 8.150 nan 0.000 0.457 527 N N 0.444 118.210 118.700 -1.556 0.000 2.650 527 N HA -0.311 3.754 4.740 -1.125 0.000 0.249 527 N C 1.040 176.351 175.510 -0.331 0.000 1.155 527 N CA 1.651 54.265 53.050 -0.728 0.000 0.747 527 N CB -0.402 37.928 38.487 -0.261 0.000 1.132 527 N HN 2.076 nan 8.380 nan 0.000 0.564 528 G N -1.829 106.756 108.800 -0.357 0.000 2.238 528 G HA2 -0.245 3.040 3.960 -1.125 0.000 0.217 528 G HA3 -0.245 3.040 3.960 -1.125 0.000 0.217 528 G C 0.132 174.935 174.900 -0.162 0.000 0.996 528 G CA 0.178 45.136 45.100 -0.237 0.000 0.632 528 G HN 0.433 nan 8.290 nan 0.000 0.503 529 N N 1.565 120.153 118.700 -0.187 0.000 2.263 529 N HA 0.315 4.380 4.740 -1.125 0.000 0.239 529 N C -0.287 175.109 175.510 -0.191 0.000 1.317 529 N CA 0.073 53.053 53.050 -0.117 0.000 0.909 529 N CB 0.166 38.590 38.487 -0.105 0.000 1.171 529 N HN 0.237 nan 8.380 nan 0.000 0.492 530 D N 0.924 121.250 120.400 -0.123 0.000 2.372 530 D HA 0.174 4.139 4.640 -1.125 0.000 0.243 530 D C -1.853 174.200 176.300 -0.412 0.000 1.121 530 D CA -0.683 53.157 54.000 -0.268 0.000 0.898 530 D CB 0.030 40.822 40.800 -0.013 0.000 1.202 530 D HN 0.290 nan 8.370 nan 0.000 0.428 531 P HA 0.133 nan 4.420 nan 0.000 0.274 531 P C -0.707 176.351 177.300 -0.403 0.000 1.231 531 P CA -0.244 62.454 63.100 -0.670 0.000 0.790 531 P CB 1.198 32.097 31.700 -1.334 0.000 0.951 532 E N 1.019 121.054 120.200 -0.276 0.000 2.277 532 E HA 0.482 4.157 4.350 -1.125 0.000 0.266 532 E C -0.453 175.924 176.600 -0.372 0.000 0.901 532 E CA -1.032 55.191 56.400 -0.295 0.000 0.782 532 E CB 1.713 31.254 29.700 -0.265 0.000 1.228 532 E HN 0.365 nan 8.360 nan 0.000 0.424 533 L N 1.806 122.701 121.223 -0.547 0.000 2.379 533 L HA 0.545 4.210 4.340 -1.125 0.000 0.269 533 L C -0.836 175.437 176.870 -0.995 0.000 1.084 533 L CA -0.383 54.158 54.840 -0.498 0.000 0.802 533 L CB 0.385 42.264 42.059 -0.299 0.000 1.175 533 L HN 0.485 nan 8.230 nan 0.000 0.448 534 F N 0.053 119.809 119.950 -0.324 0.000 2.635 534 F HA 0.249 3.570 4.527 -2.010 0.000 0.314 534 F C -0.417 175.191 175.800 -0.319 0.000 1.119 534 F CA -0.780 56.899 58.000 -0.536 0.000 1.000 534 F CB 1.758 40.128 39.000 -1.050 0.000 1.278 534 F HN 0.236 nan 8.300 nan 0.000 0.446 535 Q N 3.403 123.161 119.800 -0.070 0.000 2.398 535 Q HA 0.512 4.177 4.340 -1.125 0.000 0.251 535 Q C -0.628 175.486 176.000 0.190 0.000 0.999 535 Q CA -0.227 55.620 55.803 0.073 0.000 0.874 535 Q CB 0.653 29.456 28.738 0.108 0.000 1.215 535 Q HN 0.583 nan 8.270 nan 0.000 0.470 536 I N 6.611 127.325 120.570 0.240 0.000 2.919 536 I HA -0.065 3.430 4.170 -1.125 0.000 0.299 536 I C -1.729 174.508 176.117 0.201 0.000 1.221 536 I CA -1.119 60.349 61.300 0.280 0.000 1.424 536 I CB 0.148 38.229 38.000 0.135 0.000 1.358 536 I HN 0.506 nan 8.210 nan 0.000 0.551 537 P HA -0.061 nan 4.420 nan 0.000 0.251 537 P C -1.864 175.496 177.300 0.101 0.000 1.154 537 P CA -0.574 62.614 63.100 0.146 0.000 0.805 537 P CB 0.036 31.806 31.700 0.117 0.000 0.759 538 P HA -0.270 nan 4.420 nan 0.000 0.219 538 P C 1.375 178.715 177.300 0.067 0.000 1.153 538 P CA 1.513 64.664 63.100 0.086 0.000 0.865 538 P CB -0.229 31.524 31.700 0.089 0.000 0.788 539 E N -0.445 119.791 120.200 0.059 0.000 2.472 539 E HA -0.112 3.563 4.350 -1.125 0.000 0.200 539 E C 1.566 178.188 176.600 0.037 0.000 1.046 539 E CA 0.887 57.313 56.400 0.044 0.000 0.871 539 E CB -0.865 28.858 29.700 0.039 0.000 0.806 539 E HN 0.340 nan 8.360 nan 0.000 0.533 540 L N 0.739 121.986 121.223 0.041 0.000 2.513 540 L HA 0.142 3.808 4.340 -1.125 0.000 0.222 540 L C 0.627 177.515 176.870 0.030 0.000 1.096 540 L CA -0.068 54.789 54.840 0.029 0.000 0.857 540 L CB 0.716 42.787 42.059 0.020 0.000 1.026 540 L HN -0.113 nan 8.230 nan 0.000 0.469 541 V N 2.664 122.600 119.914 0.036 0.000 2.322 541 V HA 0.093 3.538 4.120 -1.125 0.000 0.258 541 V C 0.074 176.199 176.094 0.051 0.000 1.074 541 V CA -0.477 61.842 62.300 0.032 0.000 0.909 541 V CB 0.921 32.760 31.823 0.027 0.000 1.090 541 V HN 0.067 nan 8.190 nan 0.000 0.486 542 L N 6.073 127.330 121.223 0.055 0.000 2.361 542 L HA 0.413 4.079 4.340 -1.125 0.000 0.278 542 L C 0.151 177.059 176.870 0.064 0.000 1.113 542 L CA 0.653 55.521 54.840 0.046 0.000 0.849 542 L CB 0.133 42.215 42.059 0.038 0.000 1.155 542 L HN 0.637 nan 8.230 nan 0.000 0.452 543 E N 3.400 123.623 120.200 0.039 0.000 2.263 543 E HA 0.668 4.343 4.350 -1.125 0.000 0.264 543 E C -1.404 175.162 176.600 -0.058 0.000 0.923 543 E CA -1.067 55.365 56.400 0.053 0.000 0.802 543 E CB 2.493 32.263 29.700 0.116 0.000 1.228 543 E HN 0.422 nan 8.360 nan 0.000 0.417 544 V N 2.987 122.850 119.914 -0.085 0.000 2.525 544 V HA 0.328 3.773 4.120 -1.125 0.000 0.299 544 V C -2.375 173.697 176.094 -0.037 0.000 1.034 544 V CA -1.808 60.383 62.300 -0.181 0.000 0.863 544 V CB 1.712 33.196 31.823 -0.566 0.000 0.999 544 V HN 0.562 nan 8.190 nan 0.000 0.423 545 P HA 0.340 nan 4.420 nan 0.000 0.280 545 P C -0.998 176.334 177.300 0.054 0.000 1.244 545 P CA -0.218 62.873 63.100 -0.015 0.000 0.784 545 P CB 1.307 32.989 31.700 -0.030 0.000 0.913 546 I N 4.733 125.364 120.570 0.102 0.000 2.315 546 I HA 0.338 3.833 4.170 -1.125 0.000 0.291 546 I C 1.125 177.418 176.117 0.293 0.000 1.006 546 I CA -0.420 61.016 61.300 0.226 0.000 1.265 546 I CB 0.409 38.614 38.000 0.341 0.000 1.387 546 I HN 0.427 nan 8.210 nan 0.000 0.475 547 R N 5.013 125.706 120.500 0.322 0.000 2.807 547 R HA 0.491 4.156 4.340 -1.125 0.000 0.276 547 R C -0.968 175.461 176.300 0.215 0.000 0.979 547 R CA -0.701 55.615 56.100 0.359 0.000 0.928 547 R CB 1.965 32.404 30.300 0.232 0.000 1.191 547 R HN 0.531 nan 8.270 nan 0.000 0.471 548 H N 2.924 121.917 119.070 -0.128 0.000 2.481 548 H HA 0.290 4.172 4.556 -1.125 0.000 0.339 548 H C -1.725 173.274 175.328 -0.548 0.000 1.131 548 H CA -2.017 53.684 56.048 -0.579 0.000 1.301 548 H CB 2.079 31.231 29.762 -1.018 0.000 1.476 548 H HN 0.391 nan 8.280 nan 0.000 0.529 549 P HA 0.109 nan 4.420 nan 0.000 0.258 549 P C -0.058 177.098 177.300 -0.240 0.000 1.403 549 P CA 0.535 63.130 63.100 -0.841 0.000 0.826 549 P CB 0.451 31.348 31.700 -1.339 0.000 1.414 550 K N -1.421 118.972 120.400 -0.012 0.000 3.055 550 K HA 0.169 3.815 4.320 -1.125 0.000 0.190 550 K C 0.407 177.107 176.600 0.166 0.000 1.786 550 K CA -0.020 56.296 56.287 0.049 0.000 1.423 550 K CB 0.207 32.759 32.500 0.086 0.000 2.075 550 K HN 0.018 nan 8.250 nan 0.000 0.629 551 F N 4.162 123.828 119.950 -0.474 0.000 2.509 551 F HA 0.103 3.955 4.527 -1.125 0.000 0.350 551 F C 0.695 176.183 175.800 -0.520 0.000 1.220 551 F CA -0.655 56.978 58.000 -0.613 0.000 1.151 551 F CB 0.347 38.660 39.000 -1.145 0.000 1.379 551 F HN 0.039 nan 8.300 nan 0.000 0.610 552 D N 3.036 123.411 120.400 -0.042 0.000 2.265 552 D HA -0.194 3.771 4.640 -1.125 0.000 0.208 552 D C 1.997 178.329 176.300 0.053 0.000 0.977 552 D CA 1.104 55.118 54.000 0.024 0.000 0.871 552 D CB -0.024 40.825 40.800 0.082 0.000 0.925 552 D HN 0.715 nan 8.370 nan 0.000 0.485 553 W N 0.006 121.407 121.300 0.168 0.000 2.678 553 W HA -0.037 3.948 4.660 -1.125 0.000 0.256 553 W C 1.636 178.256 176.519 0.169 0.000 1.280 553 W CA -0.400 57.021 57.345 0.127 0.000 1.345 553 W CB -1.282 28.226 29.460 0.079 0.000 1.118 553 W HN -0.193 nan 8.180 nan 0.000 0.629 554 F N 3.909 123.483 119.950 -0.628 0.000 2.063 554 F HA -0.326 3.526 4.527 -1.125 0.000 0.298 554 F C 2.764 178.512 175.800 -0.086 0.000 1.109 554 F CA 3.453 61.155 58.000 -0.496 0.000 1.212 554 F CB -0.525 38.168 39.000 -0.511 0.000 0.973 554 F HN -0.083 nan 8.300 nan 0.000 0.480 555 K N -0.401 120.008 120.400 0.016 0.000 2.127 555 K HA -0.241 3.404 4.320 -1.125 0.000 0.208 555 K C 1.507 178.082 176.600 -0.042 0.000 1.047 555 K CA 2.008 58.289 56.287 -0.009 0.000 0.927 555 K CB -0.913 31.615 32.500 0.047 0.000 0.716 555 K HN 0.246 nan 8.250 nan 0.000 0.450 556 D N 1.245 121.661 120.400 0.027 0.000 2.311 556 D HA -0.106 3.859 4.640 -1.125 0.000 0.212 556 D C 1.888 178.193 176.300 0.009 0.000 0.972 556 D CA 0.798 54.827 54.000 0.048 0.000 0.887 556 D CB -0.074 40.801 40.800 0.125 0.000 0.915 556 D HN 0.310 nan 8.370 nan 0.000 0.497 557 L N 0.038 121.221 121.223 -0.067 0.000 2.275 557 L HA -0.032 3.633 4.340 -1.125 0.000 0.215 557 L C 1.400 178.206 176.870 -0.106 0.000 1.119 557 L CA 0.707 55.479 54.840 -0.113 0.000 0.790 557 L CB -0.436 41.422 42.059 -0.335 0.000 0.919 557 L HN 0.094 nan 8.230 nan 0.000 0.443 558 G N 0.936 109.659 108.800 -0.128 0.000 2.324 558 G HA2 -0.264 3.022 3.960 -1.125 0.000 0.292 558 G HA3 -0.264 3.022 3.960 -1.125 0.000 0.292 558 G C -0.244 174.511 174.900 -0.241 0.000 1.079 558 G CA -0.148 44.871 45.100 -0.134 0.000 1.026 558 G HN 0.211 nan 8.290 nan 0.000 0.506 559 L N -0.258 120.799 121.223 -0.277 0.000 2.334 559 L HA 0.846 4.512 4.340 -1.125 0.000 0.276 559 L C 0.455 177.173 176.870 -0.254 0.000 1.014 559 L CA -0.899 53.748 54.840 -0.322 0.000 0.815 559 L CB 2.042 43.908 42.059 -0.322 0.000 1.268 559 L HN 0.500 nan 8.230 nan 0.000 0.428 560 K N 1.602 121.817 120.400 -0.309 0.000 2.551 560 K HA 0.472 4.118 4.320 -1.125 0.000 0.269 560 K C -2.111 174.726 176.600 0.394 0.000 0.949 560 K CA -0.978 55.291 56.287 -0.030 0.000 0.849 560 K CB 2.533 34.895 32.500 -0.230 0.000 1.411 560 K HN 0.578 nan 8.250 nan 0.000 0.432 561 W N 3.150 124.578 121.300 0.214 0.000 3.031 561 W HA 0.363 4.351 4.660 -1.119 0.000 0.337 561 W C -1.055 175.624 176.519 0.266 0.000 1.187 561 W CA -0.932 56.573 57.345 0.266 0.000 1.166 561 W CB 1.766 31.226 29.460 -0.001 0.000 1.437 561 W HN 0.714 nan 8.180 nan 0.000 0.551 562 Y N 0.446 120.665 120.300 -0.135 0.000 2.326 562 Y HA 0.512 4.391 4.550 -1.119 0.000 0.333 562 Y C 0.975 177.065 175.900 0.316 0.000 1.240 562 Y CA -0.128 57.960 58.100 -0.019 0.000 1.365 562 Y CB 0.179 38.478 38.460 -0.269 0.000 1.289 562 Y HN 0.451 nan 8.280 nan 0.000 0.548 563 G N 1.636 110.707 108.800 0.452 0.000 2.683 563 G HA2 0.026 3.311 3.960 -1.125 0.000 0.213 563 G HA3 0.026 3.311 3.960 -1.125 0.000 0.213 563 G C -0.293 174.980 174.900 0.623 0.000 1.142 563 G CA -0.044 45.405 45.100 0.583 0.000 0.793 563 G HN 0.519 nan 8.290 nan 0.000 0.534 564 L N 2.831 124.360 121.223 0.511 0.000 2.272 564 L HA 0.446 4.112 4.340 -1.125 0.000 0.284 564 L C -2.216 174.781 176.870 0.210 0.000 1.045 564 L CA -2.845 52.176 54.840 0.301 0.000 0.842 564 L CB 1.360 43.513 42.059 0.157 0.000 1.224 564 L HN -0.163 nan 8.230 nan 0.000 0.430 565 P HA 0.302 nan 4.420 nan 0.000 0.282 565 P C -1.236 175.957 177.300 -0.179 0.000 1.274 565 P CA -0.297 62.616 63.100 -0.312 0.000 0.770 565 P CB 1.330 32.435 31.700 -0.991 0.000 0.867 566 A N 4.213 126.925 122.820 -0.180 0.000 2.876 566 A HA 0.322 3.967 4.320 -1.125 0.000 0.309 566 A C -0.339 176.991 177.584 -0.422 0.000 1.168 566 A CA -0.573 51.300 52.037 -0.275 0.000 0.762 566 A CB 0.436 19.305 19.000 -0.217 0.000 1.262 566 A HN 0.272 nan 8.150 nan 0.000 0.435 567 V N 2.587 122.098 119.914 -0.671 0.000 2.509 567 V HA 0.112 3.558 4.120 -1.125 0.000 0.297 567 V C 1.359 176.993 176.094 -0.766 0.000 1.014 567 V CA 1.545 63.376 62.300 -0.782 0.000 1.127 567 V CB 0.691 31.852 31.823 -1.104 0.000 0.925 567 V HN 1.066 nan 8.190 nan 0.000 0.480 568 S N 1.984 117.439 115.700 -0.409 0.000 2.666 568 S HA 0.048 3.843 4.470 -1.125 0.000 0.239 568 S C 0.847 175.373 174.600 -0.124 0.000 1.031 568 S CA 0.064 58.113 58.200 -0.250 0.000 1.015 568 S CB -0.356 62.737 63.200 -0.178 0.000 0.981 568 S HN 0.921 nan 8.310 nan 0.000 0.547 569 N N 0.481 119.107 118.700 -0.122 0.000 2.235 569 N HA 0.295 4.360 4.740 -1.125 0.000 0.209 569 N C 0.218 175.736 175.510 0.014 0.000 1.122 569 N CA -0.433 52.586 53.050 -0.051 0.000 0.845 569 N CB 0.069 38.513 38.487 -0.071 0.000 1.004 569 N HN 0.285 nan 8.380 nan 0.000 0.499 570 M N 0.997 120.625 119.600 0.047 0.000 2.371 570 M HA 0.342 4.147 4.480 -1.125 0.000 0.301 570 M C -0.602 175.810 176.300 0.186 0.000 1.173 570 M CA -0.845 54.538 55.300 0.139 0.000 1.020 570 M CB 2.080 34.798 32.600 0.196 0.000 1.490 570 M HN 0.090 nan 8.290 nan 0.000 0.485 571 L N 2.306 123.637 121.223 0.180 0.000 2.305 571 L HA 0.497 4.163 4.340 -1.125 0.000 0.284 571 L C -1.434 175.537 176.870 0.170 0.000 1.013 571 L CA -0.950 53.986 54.840 0.161 0.000 0.819 571 L CB 1.205 43.314 42.059 0.083 0.000 1.227 571 L HN 0.547 nan 8.230 nan 0.000 0.417 572 L N 5.259 126.595 121.223 0.188 0.000 2.260 572 L HA 0.405 4.070 4.340 -1.125 0.000 0.289 572 L C -0.357 176.548 176.870 0.059 0.000 1.057 572 L CA 0.337 55.191 54.840 0.023 0.000 0.811 572 L CB 1.165 43.230 42.059 0.011 0.000 1.184 572 L HN 0.673 nan 8.230 nan 0.000 0.429 573 E N 6.003 126.149 120.200 -0.090 0.000 2.113 573 E HA 0.466 4.141 4.350 -1.125 0.000 0.273 573 E C -1.416 175.094 176.600 -0.150 0.000 0.924 573 E CA -0.483 55.868 56.400 -0.081 0.000 0.764 573 E CB 0.939 30.582 29.700 -0.094 0.000 1.104 573 E HN 0.705 nan 8.360 nan 0.000 0.406 574 I N 3.210 123.689 120.570 -0.151 0.000 2.499 574 I HA 0.295 3.790 4.170 -1.125 0.000 0.288 574 I C 0.767 176.590 176.117 -0.489 0.000 1.048 574 I CA -0.667 60.393 61.300 -0.401 0.000 1.062 574 I CB 2.049 39.811 38.000 -0.396 0.000 1.238 574 I HN 0.858 nan 8.210 nan 0.000 0.426 575 G N 4.252 112.693 108.800 -0.598 0.000 2.379 575 G HA2 -0.130 3.155 3.960 -1.125 0.000 0.297 575 G HA3 -0.130 3.155 3.960 -1.125 0.000 0.297 575 G C 1.043 175.942 174.900 -0.003 0.000 1.004 575 G CA 0.895 45.874 45.100 -0.201 0.000 0.921 575 G HN 1.551 nan 8.290 nan 0.000 0.511 576 G N -2.063 106.699 108.800 -0.064 0.000 2.253 576 G HA2 -0.245 3.041 3.960 -1.125 0.000 0.251 576 G HA3 -0.245 3.041 3.960 -1.125 0.000 0.251 576 G C 0.547 175.383 174.900 -0.107 0.000 0.998 576 G CA 0.499 45.579 45.100 -0.033 0.000 0.621 576 G HN 1.298 nan 8.290 nan 0.000 0.524 577 L N 0.809 121.906 121.223 -0.211 0.000 2.395 577 L HA 0.591 4.256 4.340 -1.125 0.000 0.269 577 L C 0.346 176.971 176.870 -0.408 0.000 1.133 577 L CA -0.417 54.192 54.840 -0.384 0.000 0.812 577 L CB 0.894 42.608 42.059 -0.575 0.000 1.125 577 L HN 0.186 nan 8.230 nan 0.000 0.452 578 E N 2.287 122.183 120.200 -0.507 0.000 2.165 578 E HA 0.381 4.056 4.350 -1.125 0.000 0.266 578 E C -1.517 174.785 176.600 -0.496 0.000 0.889 578 E CA -0.361 55.827 56.400 -0.354 0.000 0.756 578 E CB 1.675 31.269 29.700 -0.177 0.000 1.131 578 E HN 0.286 nan 8.360 nan 0.000 0.411 579 F N 1.881 121.803 119.950 -0.046 0.000 2.311 579 F HA 0.108 3.959 4.527 -1.128 0.000 0.371 579 F C 1.418 177.249 175.800 0.052 0.000 1.083 579 F CA -0.506 57.490 58.000 -0.007 0.000 1.113 579 F CB 1.191 40.167 39.000 -0.038 0.000 1.349 579 F HN 0.423 nan 8.300 nan 0.000 0.470 580 S N 1.083 116.897 115.700 0.190 0.000 2.447 580 S HA 0.107 3.902 4.470 -1.125 0.000 0.233 580 S C 0.915 175.635 174.600 0.200 0.000 1.006 580 S CA 0.400 58.697 58.200 0.162 0.000 0.957 580 S CB 0.039 63.310 63.200 0.120 0.000 0.773 580 S HN 0.485 nan 8.310 nan 0.000 0.507 581 A N 1.083 124.072 122.820 0.283 0.000 2.360 581 A HA 0.586 4.231 4.320 -1.125 0.000 0.309 581 A C -0.034 177.784 177.584 0.390 0.000 1.311 581 A CA -0.689 51.541 52.037 0.322 0.000 0.805 581 A CB 0.203 19.410 19.000 0.344 0.000 1.144 581 A HN 0.932 nan 8.150 nan 0.000 0.486 582 C N 1.049 120.523 119.300 0.291 0.000 3.421 582 C HA 0.482 4.267 4.460 -1.125 0.000 0.194 582 C C -2.630 172.495 174.990 0.226 0.000 1.418 582 C CA -1.915 57.247 59.018 0.241 0.000 1.226 582 C CB -0.238 27.663 27.740 0.269 0.000 1.875 582 C HN 0.584 nan 8.230 nan 0.000 0.561 583 P HA 0.268 nan 4.420 nan 0.000 0.265 583 P C -0.599 176.766 177.300 0.109 0.000 1.193 583 P CA 1.030 64.119 63.100 -0.018 0.000 0.765 583 P CB 0.456 32.110 31.700 -0.077 0.000 0.823 584 F N -0.083 119.823 119.950 -0.074 0.000 2.599 584 F HA 0.782 4.636 4.527 -1.123 0.000 0.311 584 F C -0.776 174.949 175.800 -0.124 0.000 1.076 584 F CA -1.188 56.766 58.000 -0.077 0.000 0.937 584 F CB 1.639 40.452 39.000 -0.311 0.000 1.282 584 F HN 0.428 nan 8.300 nan 0.000 0.460 585 S N 0.258 116.069 115.700 0.185 0.000 2.570 585 S HA 0.949 4.744 4.470 -1.125 0.000 0.270 585 S C -0.802 173.759 174.600 -0.065 0.000 1.149 585 S CA -0.180 58.049 58.200 0.049 0.000 0.837 585 S CB 1.453 64.743 63.200 0.149 0.000 1.124 585 S HN 1.554 nan 8.310 nan 0.000 0.465 586 G N -0.113 108.609 108.800 -0.130 0.000 3.354 586 G HA2 0.739 4.024 3.960 -1.125 0.000 0.174 586 G HA3 0.739 4.024 3.960 -1.125 0.000 0.174 586 G C -1.738 173.161 174.900 -0.002 0.000 1.140 586 G CA -0.272 44.687 45.100 -0.234 0.000 0.897 586 G HN 1.249 nan 8.290 nan 0.000 0.685 587 W N -1.096 120.211 121.300 0.012 0.000 3.127 587 W HA 0.795 4.780 4.660 -1.126 0.000 0.330 587 W C -1.441 175.095 176.519 0.028 0.000 1.187 587 W CA -2.377 54.997 57.345 0.047 0.000 1.198 587 W CB 0.251 29.776 29.460 0.109 0.000 1.408 587 W HN 0.500 nan 8.180 nan 0.000 0.529 588 Y N 2.809 123.303 120.300 0.324 0.000 2.457 588 Y HA 0.188 4.063 4.550 -1.125 0.000 0.341 588 Y C 0.959 176.937 175.900 0.130 0.000 1.240 588 Y CA -0.173 58.004 58.100 0.130 0.000 1.437 588 Y CB 0.945 39.376 38.460 -0.049 0.000 1.328 588 Y HN 0.471 nan 8.280 nan 0.000 0.588 589 M N 2.159 121.923 119.600 0.273 0.000 2.268 589 M HA 0.338 4.143 4.480 -1.125 0.000 0.344 589 M C 1.067 177.384 176.300 0.028 0.000 1.106 589 M CA -0.138 55.249 55.300 0.145 0.000 1.010 589 M CB 1.374 34.035 32.600 0.101 0.000 1.649 589 M HN 0.869 nan 8.290 nan 0.000 0.443 590 G N 1.625 110.400 108.800 -0.041 0.000 2.556 590 G HA2 -0.337 2.948 3.960 -1.125 0.000 0.220 590 G HA3 -0.337 2.948 3.960 -1.125 0.000 0.220 590 G C 1.161 175.936 174.900 -0.208 0.000 1.156 590 G CA 1.956 46.957 45.100 -0.164 0.000 0.766 590 G HN 0.886 nan 8.290 nan 0.000 0.583 591 T N -0.738 113.733 114.554 -0.139 0.000 2.803 591 T HA -0.092 3.583 4.350 -1.125 0.000 0.269 591 T C 1.952 176.510 174.700 -0.237 0.000 1.052 591 T CA 1.741 63.716 62.100 -0.209 0.000 1.136 591 T CB -0.377 68.341 68.868 -0.250 0.000 0.864 591 T HN 0.552 nan 8.240 nan 0.000 0.467 592 E N 0.919 121.007 120.200 -0.187 0.000 2.130 592 E HA -0.085 3.590 4.350 -1.125 0.000 0.196 592 E C 2.064 178.437 176.600 -0.378 0.000 0.998 592 E CA 1.594 57.893 56.400 -0.168 0.000 0.806 592 E CB -0.346 29.400 29.700 0.077 0.000 0.738 592 E HN 0.645 nan 8.360 nan 0.000 0.459 593 I N -0.215 119.975 120.570 -0.634 0.000 2.499 593 I HA -0.007 3.488 4.170 -1.125 0.000 0.243 593 I C 2.602 178.194 176.117 -0.874 0.000 1.085 593 I CA 0.764 61.411 61.300 -1.089 0.000 1.422 593 I CB -0.570 36.563 38.000 -1.444 0.000 1.165 593 I HN 0.079 nan 8.210 nan 0.000 0.440 594 G N 0.941 109.423 108.800 -0.530 0.000 2.422 594 G HA2 -0.144 3.141 3.960 -1.125 0.000 0.218 594 G HA3 -0.144 3.141 3.960 -1.125 0.000 0.218 594 G C 1.621 176.453 174.900 -0.113 0.000 1.146 594 G CA 1.148 46.129 45.100 -0.198 0.000 0.769 594 G HN 0.223 nan 8.290 nan 0.000 0.547 595 V N 0.156 119.958 119.914 -0.188 0.000 2.436 595 V HA 0.061 3.507 4.120 -1.125 0.000 0.240 595 V C 2.826 178.840 176.094 -0.133 0.000 1.040 595 V CA 1.093 63.308 62.300 -0.142 0.000 1.052 595 V CB -0.265 31.448 31.823 -0.183 0.000 0.707 595 V HN 0.130 nan 8.190 nan 0.000 0.469 596 R N 0.484 120.871 120.500 -0.189 0.000 2.057 596 R HA -0.003 3.663 4.340 -1.125 0.000 0.224 596 R C 1.967 178.181 176.300 -0.145 0.000 1.136 596 R CA 1.352 57.358 56.100 -0.156 0.000 0.968 596 R CB -1.025 29.176 30.300 -0.165 0.000 0.863 596 R HN 0.479 nan 8.270 nan 0.000 0.433 597 D N 0.114 120.329 120.400 -0.309 0.000 2.117 597 D HA -0.133 3.832 4.640 -1.125 0.000 0.198 597 D C 2.050 178.293 176.300 -0.095 0.000 0.982 597 D CA 1.252 55.041 54.000 -0.352 0.000 0.828 597 D CB -0.152 39.997 40.800 -1.086 0.000 0.967 597 D HN 0.345 nan 8.370 nan 0.000 0.464 598 Y N -0.219 119.938 120.300 -0.238 0.000 2.269 598 Y HA -0.045 3.830 4.550 -1.125 0.000 0.294 598 Y C 2.425 178.336 175.900 0.019 0.000 1.120 598 Y CA 0.222 58.271 58.100 -0.085 0.000 1.159 598 Y CB 0.303 38.692 38.460 -0.118 0.000 1.024 598 Y HN 0.009 nan 8.280 nan 0.000 0.532 599 C N -0.652 118.734 119.300 0.144 0.000 2.926 599 C HA 0.141 3.926 4.460 -1.125 0.000 0.272 599 C C 0.299 175.322 174.990 0.055 0.000 1.249 599 C CA -0.722 58.353 59.018 0.096 0.000 1.691 599 C CB -0.919 26.856 27.740 0.057 0.000 1.983 599 C HN 0.259 nan 8.230 nan 0.000 0.615 600 D N 1.417 121.840 120.400 0.037 0.000 2.472 600 D HA -0.037 3.928 4.640 -1.125 0.000 0.237 600 D C 1.241 177.565 176.300 0.041 0.000 1.141 600 D CA 0.399 54.410 54.000 0.018 0.000 0.875 600 D CB 0.354 41.159 40.800 0.009 0.000 1.192 600 D HN 0.254 nan 8.370 nan 0.000 0.450 601 N N 0.944 119.660 118.700 0.026 0.000 2.120 601 N HA -0.187 3.878 4.740 -1.125 0.000 0.188 601 N C 1.015 176.544 175.510 0.032 0.000 1.024 601 N CA 1.194 54.264 53.050 0.033 0.000 0.852 601 N CB 0.123 38.624 38.487 0.024 0.000 1.003 601 N HN 0.363 nan 8.380 nan 0.000 0.424 602 S N -0.352 115.363 115.700 0.025 0.000 2.710 602 S HA 0.241 4.036 4.470 -1.125 0.000 0.224 602 S C 0.931 175.544 174.600 0.022 0.000 0.948 602 S CA -0.502 57.711 58.200 0.021 0.000 0.949 602 S CB 0.351 63.563 63.200 0.020 0.000 0.778 602 S HN 0.135 nan 8.310 nan 0.000 0.498 603 R N 0.216 120.741 120.500 0.041 0.000 2.769 603 R HA 0.383 4.048 4.340 -1.125 0.000 0.117 603 R C 0.613 176.932 176.300 0.031 0.000 1.152 603 R CA -0.504 55.636 56.100 0.067 0.000 0.887 603 R CB -1.103 29.283 30.300 0.143 0.000 1.099 603 R HN 0.304 nan 8.270 nan 0.000 0.398 604 Y N 1.936 122.296 120.300 0.099 0.000 2.571 604 Y HA 0.012 3.886 4.550 -1.126 0.000 0.294 604 Y C 0.579 176.530 175.900 0.085 0.000 1.141 604 Y CA 0.776 58.940 58.100 0.106 0.000 1.308 604 Y CB -0.499 38.068 38.460 0.178 0.000 1.002 604 Y HN 0.521 nan 8.280 nan 0.000 0.551 605 N N 1.363 120.170 118.700 0.178 0.000 2.725 605 N HA -0.230 3.835 4.740 -1.125 0.000 0.280 605 N C 0.501 176.094 175.510 0.138 0.000 1.017 605 N CA 0.350 53.477 53.050 0.128 0.000 0.813 605 N CB -0.833 37.702 38.487 0.081 0.000 0.931 605 N HN 0.639 nan 8.380 nan 0.000 0.570 606 I N -1.607 119.057 120.570 0.156 0.000 3.928 606 I HA 0.083 3.578 4.170 -1.125 0.000 0.335 606 I C 1.594 177.808 176.117 0.162 0.000 1.325 606 I CA -0.507 60.875 61.300 0.137 0.000 1.107 606 I CB 0.031 38.084 38.000 0.087 0.000 1.014 606 I HN 0.248 nan 8.210 nan 0.000 0.400 607 L N 1.205 122.538 121.223 0.183 0.000 1.990 607 L HA -0.203 3.462 4.340 -1.125 0.000 0.213 607 L C 2.659 179.733 176.870 0.340 0.000 1.072 607 L CA 1.980 56.970 54.840 0.250 0.000 0.755 607 L CB -0.532 41.650 42.059 0.205 0.000 0.889 607 L HN 0.368 nan 8.230 nan 0.000 0.432 608 E N -0.147 120.237 120.200 0.306 0.000 2.049 608 E HA -0.288 3.387 4.350 -1.125 0.000 0.198 608 E C 2.024 178.677 176.600 0.087 0.000 1.007 608 E CA 1.878 58.393 56.400 0.192 0.000 0.809 608 E CB -0.116 29.652 29.700 0.114 0.000 0.749 608 E HN 0.544 nan 8.360 nan 0.000 0.450 609 E N 0.169 120.425 120.200 0.093 0.000 2.049 609 E HA -0.207 3.468 4.350 -1.125 0.000 0.198 609 E C 2.227 178.875 176.600 0.080 0.000 1.007 609 E CA 1.678 58.112 56.400 0.056 0.000 0.809 609 E CB -0.140 29.602 29.700 0.070 0.000 0.749 609 E HN 0.093 nan 8.360 nan 0.000 0.450 610 V N 1.408 121.439 119.914 0.196 0.000 2.407 610 V HA -0.283 3.162 4.120 -1.125 0.000 0.248 610 V C 2.303 178.549 176.094 0.253 0.000 1.055 610 V CA 1.742 64.249 62.300 0.346 0.000 1.049 610 V CB -0.909 31.187 31.823 0.455 0.000 0.662 610 V HN 0.339 nan 8.190 nan 0.000 0.455 611 A N 0.178 123.125 122.820 0.212 0.000 1.858 611 A HA -0.247 3.398 4.320 -1.125 0.000 0.216 611 A C 2.315 179.859 177.584 -0.068 0.000 1.190 611 A CA 2.109 54.233 52.037 0.145 0.000 0.617 611 A CB -0.513 18.558 19.000 0.119 0.000 0.827 611 A HN 0.521 nan 8.150 nan 0.000 0.443 612 K N -0.220 120.095 120.400 -0.143 0.000 2.044 612 K HA -0.168 3.477 4.320 -1.125 0.000 0.210 612 K C 2.013 178.437 176.600 -0.293 0.000 1.049 612 K CA 1.607 57.768 56.287 -0.210 0.000 0.927 612 K CB -0.160 32.234 32.500 -0.177 0.000 0.713 612 K HN 0.278 nan 8.250 nan 0.000 0.443 613 K N 0.297 120.457 120.400 -0.399 0.000 2.209 613 K HA -0.077 3.568 4.320 -1.125 0.000 0.204 613 K C 1.796 177.853 176.600 -0.906 0.000 1.048 613 K CA 1.205 56.971 56.287 -0.868 0.000 0.940 613 K CB -0.026 31.587 32.500 -1.478 0.000 0.729 613 K HN 0.299 nan 8.250 nan 0.000 0.451 614 M N 0.036 119.390 119.600 -0.410 0.000 2.495 614 M HA -0.002 3.803 4.480 -1.125 0.000 0.237 614 M C -0.398 175.799 176.300 -0.172 0.000 1.131 614 M CA 0.067 55.256 55.300 -0.185 0.000 1.032 614 M CB -0.104 32.573 32.600 0.129 0.000 1.513 614 M HN -0.010 nan 8.290 nan 0.000 0.488 615 D N 1.968 122.243 120.400 -0.208 0.000 2.746 615 D HA -0.150 3.815 4.640 -1.125 0.000 0.241 615 D C -1.194 175.042 176.300 -0.106 0.000 1.140 615 D CA 0.496 54.397 54.000 -0.165 0.000 0.707 615 D CB -0.723 39.979 40.800 -0.163 0.000 1.034 615 D HN 0.314 nan 8.370 nan 0.000 0.423 616 L N 0.328 121.491 121.223 -0.099 0.000 2.334 616 L HA 0.417 4.082 4.340 -1.125 0.000 0.272 616 L C 0.719 177.511 176.870 -0.130 0.000 1.020 616 L CA -1.109 53.705 54.840 -0.044 0.000 0.812 616 L CB 1.192 43.295 42.059 0.074 0.000 1.264 616 L HN 0.018 nan 8.230 nan 0.000 0.439 617 D N 2.482 122.842 120.400 -0.066 0.000 2.367 617 D HA 0.086 4.051 4.640 -1.125 0.000 0.255 617 D C 0.410 176.582 176.300 -0.215 0.000 1.300 617 D CA 0.331 54.273 54.000 -0.098 0.000 0.959 617 D CB 0.678 41.473 40.800 -0.007 0.000 1.064 617 D HN 0.370 nan 8.370 nan 0.000 0.509 618 M N 2.744 122.052 119.600 -0.487 0.000 2.505 618 M HA 0.146 3.951 4.480 -1.125 0.000 0.230 618 M C 1.693 177.795 176.300 -0.329 0.000 1.153 618 M CA -0.114 54.610 55.300 -0.960 0.000 0.997 618 M CB 0.443 32.280 32.600 -1.273 0.000 1.606 618 M HN 0.184 nan 8.290 nan 0.000 0.481 619 R N 1.633 122.052 120.500 -0.134 0.000 2.073 619 R HA -0.016 3.649 4.340 -1.125 0.000 0.229 619 R C 0.201 176.541 176.300 0.066 0.000 1.120 619 R CA 0.940 57.022 56.100 -0.030 0.000 0.967 619 R CB 0.000 30.285 30.300 -0.026 0.000 0.862 619 R HN 0.355 nan 8.270 nan 0.000 0.436 620 K N 0.141 120.616 120.400 0.125 0.000 2.345 620 K HA 0.246 3.891 4.320 -1.125 0.000 0.255 620 K C 0.532 177.284 176.600 0.252 0.000 0.934 620 K CA -0.375 56.006 56.287 0.156 0.000 0.801 620 K CB 1.917 34.476 32.500 0.099 0.000 1.137 620 K HN -0.135 nan 8.250 nan 0.000 0.424 621 T N -1.369 113.304 114.554 0.199 0.000 2.759 621 T HA -0.242 3.433 4.350 -1.125 0.000 0.269 621 T C 1.780 176.514 174.700 0.056 0.000 1.042 621 T CA 1.786 63.959 62.100 0.123 0.000 1.140 621 T CB -0.579 68.315 68.868 0.043 0.000 0.864 621 T HN 0.645 nan 8.240 nan 0.000 0.455 622 S N 1.801 117.542 115.700 0.068 0.000 2.595 622 S HA -0.024 3.771 4.470 -1.125 0.000 0.235 622 S C 2.071 176.709 174.600 0.063 0.000 0.974 622 S CA 0.711 58.938 58.200 0.045 0.000 0.942 622 S CB -0.825 62.398 63.200 0.038 0.000 0.766 622 S HN 0.802 nan 8.310 nan 0.000 0.536 623 S N 1.756 117.528 115.700 0.120 0.000 2.527 623 S HA 0.218 4.014 4.470 -1.125 0.000 0.222 623 S C 0.920 175.591 174.600 0.118 0.000 0.985 623 S CA 0.150 58.431 58.200 0.135 0.000 0.921 623 S CB -0.968 62.352 63.200 0.201 0.000 0.772 623 S HN 0.642 nan 8.310 nan 0.000 0.529 624 L N 0.961 122.215 121.223 0.052 0.000 3.608 624 L HA -0.159 3.506 4.340 -1.125 0.000 0.422 624 L C 1.491 178.348 176.870 -0.022 0.000 1.260 624 L CA 0.584 55.391 54.840 -0.055 0.000 0.889 624 L CB -2.545 39.502 42.059 -0.020 0.000 1.821 624 L HN 0.721 nan 8.230 nan 0.000 0.884 625 W N -0.140 121.179 121.300 0.032 0.000 2.388 625 W HA -0.092 3.893 4.660 -1.125 0.000 0.294 625 W C 1.721 178.272 176.519 0.053 0.000 1.212 625 W CA 1.146 58.517 57.345 0.042 0.000 1.271 625 W CB -0.676 28.804 29.460 0.034 0.000 1.126 625 W HN 0.273 nan 8.180 nan 0.000 0.535 626 K N 1.116 121.051 120.400 -0.774 0.000 2.063 626 K HA -0.181 3.464 4.320 -1.125 0.000 0.208 626 K C 1.510 177.986 176.600 -0.208 0.000 1.048 626 K CA 2.456 58.366 56.287 -0.628 0.000 0.928 626 K CB -0.342 31.635 32.500 -0.872 0.000 0.713 626 K HN 0.057 nan 8.250 nan 0.000 0.442 627 D N 0.526 120.817 120.400 -0.183 0.000 2.097 627 D HA -0.146 3.819 4.640 -1.125 0.000 0.195 627 D C 2.031 178.333 176.300 0.003 0.000 0.989 627 D CA 1.072 55.024 54.000 -0.079 0.000 0.827 627 D CB -0.019 40.738 40.800 -0.072 0.000 0.966 627 D HN 0.197 nan 8.370 nan 0.000 0.456 628 Q N 0.246 120.077 119.800 0.051 0.000 2.020 628 Q HA -0.148 3.518 4.340 -1.125 0.000 0.202 628 Q C 2.330 178.418 176.000 0.147 0.000 0.982 628 Q CA 1.420 57.289 55.803 0.110 0.000 0.838 628 Q CB -0.234 28.596 28.738 0.153 0.000 0.899 628 Q HN 0.297 nan 8.270 nan 0.000 0.423 629 A N 1.063 124.000 122.820 0.194 0.000 1.851 629 A HA -0.229 3.416 4.320 -1.125 0.000 0.216 629 A C 2.085 179.769 177.584 0.166 0.000 1.195 629 A CA 1.526 53.710 52.037 0.245 0.000 0.622 629 A CB -0.977 18.211 19.000 0.314 0.000 0.831 629 A HN 0.374 nan 8.150 nan 0.000 0.444 630 L N 0.295 121.577 121.223 0.098 0.000 2.010 630 L HA -0.233 3.432 4.340 -1.125 0.000 0.219 630 L C 2.440 179.333 176.870 0.039 0.000 1.077 630 L CA 2.598 57.468 54.840 0.051 0.000 0.773 630 L CB -0.771 41.281 42.059 -0.012 0.000 0.892 630 L HN 0.224 nan 8.230 nan 0.000 0.436 631 V N -0.266 119.670 119.914 0.036 0.000 2.282 631 V HA -0.296 3.150 4.120 -1.125 0.000 0.249 631 V C 2.638 178.737 176.094 0.007 0.000 1.057 631 V CA 2.050 64.366 62.300 0.027 0.000 1.032 631 V CB -0.968 30.880 31.823 0.043 0.000 0.645 631 V HN 0.486 nan 8.190 nan 0.000 0.447 632 E N 0.132 120.351 120.200 0.031 0.000 2.077 632 E HA -0.156 3.519 4.350 -1.125 0.000 0.193 632 E C 2.166 178.687 176.600 -0.131 0.000 0.989 632 E CA 1.384 57.767 56.400 -0.028 0.000 0.800 632 E CB -0.410 29.294 29.700 0.008 0.000 0.746 632 E HN 0.604 nan 8.360 nan 0.000 0.452 633 I N 1.531 122.113 120.570 0.019 0.000 2.454 633 I HA -0.233 3.262 4.170 -1.125 0.000 0.254 633 I C 1.926 178.066 176.117 0.037 0.000 1.156 633 I CA 0.827 62.189 61.300 0.104 0.000 1.433 633 I CB -0.258 37.880 38.000 0.229 0.000 1.082 633 I HN 0.071 nan 8.210 nan 0.000 0.432 634 N N 0.405 119.092 118.700 -0.021 0.000 2.405 634 N HA 0.100 4.165 4.740 -1.125 0.000 0.175 634 N C 1.909 177.368 175.510 -0.085 0.000 1.051 634 N CA 0.676 53.700 53.050 -0.043 0.000 0.899 634 N CB 0.511 38.975 38.487 -0.038 0.000 1.000 634 N HN 0.345 nan 8.380 nan 0.000 0.451 635 I N 1.129 121.600 120.570 -0.165 0.000 2.500 635 I HA -0.138 3.357 4.170 -1.125 0.000 0.252 635 I C 2.351 178.263 176.117 -0.341 0.000 1.142 635 I CA 0.348 61.502 61.300 -0.243 0.000 1.451 635 I CB -0.026 37.772 38.000 -0.338 0.000 1.093 635 I HN 0.017 nan 8.210 nan 0.000 0.430 636 A N 0.504 123.036 122.820 -0.480 0.000 1.845 636 A HA -0.171 3.474 4.320 -1.125 0.000 0.215 636 A C 2.393 179.963 177.584 -0.023 0.000 1.195 636 A CA 1.799 53.578 52.037 -0.429 0.000 0.616 636 A CB -1.065 17.548 19.000 -0.645 0.000 0.832 636 A HN 0.186 nan 8.150 nan 0.000 0.443 637 V N 0.296 120.237 119.914 0.045 0.000 2.231 637 V HA -0.328 3.117 4.120 -1.125 0.000 0.250 637 V C 2.618 178.760 176.094 0.081 0.000 1.058 637 V CA 2.291 64.655 62.300 0.107 0.000 1.022 637 V CB -0.878 30.919 31.823 -0.043 0.000 0.640 637 V HN 0.584 nan 8.190 nan 0.000 0.445 638 L N -1.537 119.680 121.223 -0.009 0.000 2.127 638 L HA -0.242 3.423 4.340 -1.125 0.000 0.211 638 L C 2.447 179.360 176.870 0.072 0.000 1.089 638 L CA 2.011 56.855 54.840 0.007 0.000 0.757 638 L CB -0.666 41.386 42.059 -0.011 0.000 0.899 638 L HN 0.463 nan 8.230 nan 0.000 0.434 639 Y N 0.480 120.744 120.300 -0.060 0.000 2.133 639 Y HA -0.238 3.637 4.550 -1.124 0.000 0.287 639 Y C 2.763 178.668 175.900 0.008 0.000 1.134 639 Y CA 1.610 59.669 58.100 -0.068 0.000 1.133 639 Y CB -0.322 38.028 38.460 -0.184 0.000 0.987 639 Y HN 0.064 nan 8.280 nan 0.000 0.502 640 S N 0.600 116.298 115.700 -0.004 0.000 2.398 640 S HA -0.225 3.570 4.470 -1.125 0.000 0.220 640 S C 1.783 176.350 174.600 -0.055 0.000 1.038 640 S CA 1.662 59.831 58.200 -0.052 0.000 1.080 640 S CB -1.137 62.147 63.200 0.141 0.000 1.039 640 S HN 0.452 nan 8.310 nan 0.000 0.419 641 F N 2.016 121.922 119.950 -0.074 0.000 2.063 641 F HA -0.287 3.565 4.527 -1.126 0.000 0.297 641 F C 2.760 178.504 175.800 -0.094 0.000 1.099 641 F CA 1.854 59.825 58.000 -0.048 0.000 1.220 641 F CB -0.829 38.165 39.000 -0.009 0.000 0.972 641 F HN 0.301 nan 8.300 nan 0.000 0.487 642 Q N -0.919 118.918 119.800 0.062 0.000 2.170 642 Q HA -0.162 3.503 4.340 -1.125 0.000 0.203 642 Q C 2.376 178.287 176.000 -0.147 0.000 0.976 642 Q CA 1.664 57.440 55.803 -0.045 0.000 0.858 642 Q CB -0.306 28.397 28.738 -0.058 0.000 0.907 642 Q HN 0.348 nan 8.270 nan 0.000 0.433 643 S N 1.099 116.631 115.700 -0.280 0.000 2.355 643 S HA -0.105 3.691 4.470 -1.125 0.000 0.222 643 S C 1.043 175.535 174.600 -0.180 0.000 1.031 643 S CA 1.149 59.164 58.200 -0.308 0.000 0.993 643 S CB -0.117 62.783 63.200 -0.500 0.000 0.859 643 S HN 0.336 nan 8.310 nan 0.000 0.453 644 D N 0.645 120.944 120.400 -0.168 0.000 2.338 644 D HA 0.124 4.089 4.640 -1.125 0.000 0.239 644 D C 0.470 176.706 176.300 -0.107 0.000 1.095 644 D CA 0.300 54.218 54.000 -0.137 0.000 0.888 644 D CB -0.186 40.511 40.800 -0.172 0.000 0.899 644 D HN 0.108 nan 8.370 nan 0.000 0.525 645 K N -0.841 119.506 120.400 -0.089 0.000 3.160 645 K HA -0.153 3.492 4.320 -1.125 0.000 0.280 645 K C -0.923 175.652 176.600 -0.041 0.000 1.154 645 K CA 0.208 56.459 56.287 -0.061 0.000 0.822 645 K CB -1.487 30.978 32.500 -0.058 0.000 1.239 645 K HN 0.042 nan 8.250 nan 0.000 0.489 646 V N 1.379 121.279 119.914 -0.023 0.000 2.439 646 V HA 0.233 3.678 4.120 -1.125 0.000 0.282 646 V C 0.827 177.007 176.094 0.144 0.000 1.039 646 V CA -0.519 61.807 62.300 0.043 0.000 0.913 646 V CB 1.660 33.464 31.823 -0.032 0.000 0.983 646 V HN 0.276 nan 8.190 nan 0.000 0.460 647 T N 6.263 120.868 114.554 0.086 0.000 2.933 647 T HA 0.399 4.074 4.350 -1.125 0.000 0.306 647 T C -0.224 174.554 174.700 0.130 0.000 1.045 647 T CA 0.756 62.842 62.100 -0.024 0.000 1.143 647 T CB 0.116 68.851 68.868 -0.222 0.000 1.003 647 T HN 0.617 nan 8.240 nan 0.000 0.540 648 I N 2.079 122.659 120.570 0.017 0.000 2.800 648 I HA 0.554 4.049 4.170 -1.125 0.000 0.294 648 I C -1.655 174.490 176.117 0.048 0.000 1.538 648 I CA -0.848 60.508 61.300 0.093 0.000 1.010 648 I CB 1.712 39.726 38.000 0.023 0.000 1.381 648 I HN 0.484 nan 8.210 nan 0.000 0.462 649 V N 5.434 125.429 119.914 0.134 0.000 2.789 649 V HA 0.540 3.986 4.120 -1.125 0.000 0.311 649 V C -1.181 174.961 176.094 0.080 0.000 1.073 649 V CA -0.233 62.137 62.300 0.118 0.000 0.921 649 V CB 2.340 34.305 31.823 0.235 0.000 1.009 649 V HN 0.884 nan 8.190 nan 0.000 0.426 650 D N 3.424 123.848 120.400 0.039 0.000 2.348 650 D HA 0.230 4.195 4.640 -1.125 0.000 0.249 650 D C 1.250 177.532 176.300 -0.031 0.000 1.110 650 D CA 0.028 54.028 54.000 0.000 0.000 0.967 650 D CB 0.518 41.283 40.800 -0.058 0.000 1.139 650 D HN 0.730 nan 8.370 nan 0.000 0.466 651 H N -0.031 118.963 119.070 -0.126 0.000 2.456 651 H HA -0.155 3.726 4.556 -1.125 0.000 0.296 651 H C 0.996 176.215 175.328 -0.182 0.000 1.079 651 H CA 1.345 57.283 56.048 -0.183 0.000 1.322 651 H CB -0.602 28.992 29.762 -0.280 0.000 1.388 651 H HN 0.516 nan 8.280 nan 0.000 0.538 652 H N 0.786 119.640 119.070 -0.361 0.000 2.299 652 H HA -0.077 3.804 4.556 -1.124 0.000 0.302 652 H C 2.519 177.822 175.328 -0.042 0.000 1.078 652 H CA 1.502 57.444 56.048 -0.176 0.000 1.323 652 H CB -0.286 29.338 29.762 -0.231 0.000 1.381 652 H HN 0.395 nan 8.280 nan 0.000 0.498 653 S N 0.452 116.196 115.700 0.073 0.000 2.368 653 S HA -0.118 3.677 4.470 -1.125 0.000 0.225 653 S C 2.406 177.071 174.600 0.109 0.000 1.030 653 S CA 1.139 59.389 58.200 0.084 0.000 0.999 653 S CB -0.292 62.949 63.200 0.068 0.000 0.844 653 S HN 0.474 nan 8.310 nan 0.000 0.459 654 A N 0.892 123.776 122.820 0.107 0.000 1.902 654 A HA -0.082 3.563 4.320 -1.125 0.000 0.217 654 A C 2.472 180.150 177.584 0.158 0.000 1.181 654 A CA 2.397 54.518 52.037 0.140 0.000 0.623 654 A CB -1.626 17.447 19.000 0.122 0.000 0.818 654 A HN 0.778 nan 8.150 nan 0.000 0.443 655 T N -2.066 112.566 114.554 0.131 0.000 2.821 655 T HA -0.133 3.542 4.350 -1.125 0.000 0.267 655 T C 1.758 176.587 174.700 0.215 0.000 1.046 655 T CA 1.375 63.575 62.100 0.168 0.000 1.139 655 T CB -0.360 68.578 68.868 0.116 0.000 0.871 655 T HN 0.610 nan 8.240 nan 0.000 0.454 656 E N 1.226 121.527 120.200 0.167 0.000 2.085 656 E HA -0.162 3.513 4.350 -1.125 0.000 0.194 656 E C 2.317 179.009 176.600 0.154 0.000 0.994 656 E CA 1.405 57.894 56.400 0.148 0.000 0.801 656 E CB -0.239 29.530 29.700 0.115 0.000 0.743 656 E HN 0.548 nan 8.360 nan 0.000 0.453 657 S N 0.302 116.103 115.700 0.168 0.000 2.359 657 S HA -0.168 3.628 4.470 -1.125 0.000 0.224 657 S C 1.541 176.265 174.600 0.207 0.000 1.035 657 S CA 1.230 59.531 58.200 0.168 0.000 1.018 657 S CB -0.518 62.787 63.200 0.175 0.000 0.876 657 S HN 0.383 nan 8.310 nan 0.000 0.448 658 F N 2.402 122.419 119.950 0.113 0.000 2.161 658 F HA -0.120 3.732 4.527 -1.125 0.000 0.300 658 F C 1.838 177.738 175.800 0.167 0.000 1.089 658 F CA 0.951 59.037 58.000 0.144 0.000 1.282 658 F CB -0.274 38.792 39.000 0.110 0.000 1.010 658 F HN 0.097 nan 8.300 nan 0.000 0.485 659 I N 0.548 121.200 120.570 0.137 0.000 2.226 659 I HA -0.295 3.200 4.170 -1.125 0.000 0.245 659 I C 2.432 178.536 176.117 -0.022 0.000 1.100 659 I CA 1.454 62.779 61.300 0.041 0.000 1.374 659 I CB -1.411 36.658 38.000 0.115 0.000 1.057 659 I HN 0.210 nan 8.210 nan 0.000 0.413 660 K N 0.225 120.643 120.400 0.030 0.000 2.026 660 K HA -0.278 3.368 4.320 -1.125 0.000 0.208 660 K C 2.362 178.962 176.600 0.001 0.000 1.048 660 K CA 1.812 58.114 56.287 0.026 0.000 0.929 660 K CB -0.261 32.274 32.500 0.058 0.000 0.713 660 K HN 0.303 nan 8.250 nan 0.000 0.439 661 H N 0.383 119.385 119.070 -0.114 0.000 2.352 661 H HA -0.078 3.803 4.556 -1.124 0.000 0.299 661 H C 2.044 177.243 175.328 -0.216 0.000 1.097 661 H CA 2.319 58.275 56.048 -0.154 0.000 1.311 661 H CB -0.094 29.559 29.762 -0.181 0.000 1.377 661 H HN 0.151 nan 8.280 nan 0.000 0.504 662 M N 0.147 119.481 119.600 -0.444 0.000 2.065 662 M HA -0.202 3.603 4.480 -1.125 0.000 0.259 662 M C 2.187 178.455 176.300 -0.053 0.000 1.069 662 M CA 2.247 57.349 55.300 -0.329 0.000 1.110 662 M CB -0.168 32.288 32.600 -0.239 0.000 1.328 662 M HN 0.480 nan 8.290 nan 0.000 0.405 663 E N -0.062 120.106 120.200 -0.053 0.000 2.085 663 E HA -0.204 3.471 4.350 -1.125 0.000 0.194 663 E C 1.694 178.292 176.600 -0.004 0.000 0.994 663 E CA 1.224 57.625 56.400 0.002 0.000 0.801 663 E CB -0.284 29.404 29.700 -0.020 0.000 0.743 663 E HN 0.526 nan 8.360 nan 0.000 0.453 664 N N 0.997 119.656 118.700 -0.067 0.000 2.084 664 N HA -0.154 3.911 4.740 -1.125 0.000 0.190 664 N C 1.678 177.121 175.510 -0.112 0.000 1.030 664 N CA 0.960 53.970 53.050 -0.065 0.000 0.849 664 N CB -0.243 38.216 38.487 -0.046 0.000 1.012 664 N HN 0.168 nan 8.380 nan 0.000 0.423 665 E N 0.214 120.259 120.200 -0.259 0.000 2.110 665 E HA -0.142 3.534 4.350 -1.125 0.000 0.193 665 E C 1.887 178.324 176.600 -0.273 0.000 0.988 665 E CA 0.753 56.955 56.400 -0.331 0.000 0.804 665 E CB -0.382 28.981 29.700 -0.562 0.000 0.745 665 E HN 0.517 nan 8.360 nan 0.000 0.458 666 Y N 1.349 121.555 120.300 -0.157 0.000 2.200 666 Y HA -0.146 3.730 4.550 -1.125 0.000 0.290 666 Y C 2.597 178.455 175.900 -0.070 0.000 1.137 666 Y CA 1.779 59.823 58.100 -0.094 0.000 1.163 666 Y CB -0.014 38.400 38.460 -0.077 0.000 0.988 666 Y HN 0.083 nan 8.280 nan 0.000 0.518 667 R N -1.781 118.757 120.500 0.064 0.000 2.200 667 R HA 0.006 3.671 4.340 -1.125 0.000 0.208 667 R C 1.461 177.757 176.300 -0.006 0.000 1.033 667 R CA 1.493 57.611 56.100 0.030 0.000 1.000 667 R CB -0.971 29.344 30.300 0.025 0.000 0.906 667 R HN 0.259 nan 8.270 nan 0.000 0.462 668 C N -0.272 119.009 119.300 -0.033 0.000 2.865 668 C HA 0.364 4.150 4.460 -1.125 0.000 0.280 668 C C 2.066 177.023 174.990 -0.056 0.000 1.255 668 C CA -0.302 58.697 59.018 -0.031 0.000 1.705 668 C CB -0.287 27.445 27.740 -0.012 0.000 2.080 668 C HN 0.547 nan 8.230 nan 0.000 0.591 669 R N -0.130 120.308 120.500 -0.104 0.000 2.556 669 R HA 0.265 3.930 4.340 -1.125 0.000 0.276 669 R C 1.307 177.512 176.300 -0.158 0.000 0.931 669 R CA 0.961 56.984 56.100 -0.129 0.000 1.061 669 R CB 0.490 30.688 30.300 -0.171 0.000 1.432 669 R HN 0.366 nan 8.270 nan 0.000 0.547 670 G N 0.040 108.739 108.800 -0.168 0.000 2.141 670 G HA2 -0.140 3.145 3.960 -1.125 0.000 0.242 670 G HA3 -0.140 3.145 3.960 -1.125 0.000 0.242 670 G C 0.127 174.836 174.900 -0.319 0.000 0.982 670 G CA 0.088 45.088 45.100 -0.167 0.000 0.662 670 G HN 0.829 nan 8.290 nan 0.000 0.527 671 G N -2.406 106.025 108.800 -0.614 0.000 2.321 671 G HA2 0.538 3.823 3.960 -1.125 0.000 0.298 671 G HA3 0.538 3.823 3.960 -1.125 0.000 0.298 671 G C -0.913 173.537 174.900 -0.751 0.000 1.385 671 G CA 0.365 44.865 45.100 -1.000 0.000 0.856 671 G HN 1.840 nan 8.290 nan 0.000 0.584 672 C N 2.338 121.303 119.300 -0.558 0.000 2.982 672 C HA 0.638 4.423 4.460 -1.125 0.000 0.372 672 C C -2.484 172.404 174.990 -0.170 0.000 1.061 672 C CA -1.109 57.730 59.018 -0.300 0.000 1.309 672 C CB 0.751 28.320 27.740 -0.285 0.000 1.766 672 C HN 0.714 nan 8.230 nan 0.000 0.504 673 P HA 0.399 nan 4.420 nan 0.000 0.267 673 P C -0.599 176.589 177.300 -0.187 0.000 1.205 673 P CA 0.635 63.345 63.100 -0.649 0.000 0.765 673 P CB 1.127 32.225 31.700 -1.003 0.000 0.828 674 A N 2.364 125.144 122.820 -0.067 0.000 2.517 674 A HA 0.413 4.058 4.320 -1.125 0.000 0.297 674 A C -1.216 176.428 177.584 0.100 0.000 1.050 674 A CA -0.564 51.534 52.037 0.101 0.000 0.694 674 A CB 1.335 20.534 19.000 0.331 0.000 1.277 674 A HN 0.454 nan 8.150 nan 0.000 0.400 675 D N 1.790 122.243 120.400 0.088 0.000 2.443 675 D HA 0.168 4.133 4.640 -1.125 0.000 0.221 675 D C 0.777 177.219 176.300 0.236 0.000 1.097 675 D CA -0.495 53.589 54.000 0.141 0.000 0.865 675 D CB 0.334 41.173 40.800 0.065 0.000 1.034 675 D HN 0.583 nan 8.370 nan 0.000 0.511 676 W N 3.900 125.242 121.300 0.070 0.000 2.321 676 W HA -0.260 3.725 4.660 -1.124 0.000 0.306 676 W C 1.624 178.184 176.519 0.068 0.000 1.217 676 W CA 1.135 58.512 57.345 0.053 0.000 1.257 676 W CB 0.103 29.573 29.460 0.017 0.000 1.145 676 W HN 0.304 nan 8.180 nan 0.000 0.509 677 V N -0.521 119.700 119.914 0.513 0.000 2.392 677 V HA -0.317 3.129 4.120 -1.125 0.000 0.249 677 V C 1.559 177.786 176.094 0.221 0.000 1.059 677 V CA 2.090 64.633 62.300 0.405 0.000 1.051 677 V CB -0.898 31.158 31.823 0.389 0.000 0.658 677 V HN 0.310 nan 8.190 nan 0.000 0.455 678 W N -1.276 120.029 121.300 0.008 0.000 2.630 678 W HA 0.204 4.188 4.660 -1.126 0.000 0.271 678 W C 2.189 178.621 176.519 -0.145 0.000 1.244 678 W CA 0.037 57.353 57.345 -0.049 0.000 1.353 678 W CB -0.081 29.368 29.460 -0.017 0.000 1.080 678 W HN 0.082 nan 8.180 nan 0.000 0.594 679 I N -0.086 120.481 120.570 -0.006 0.000 2.252 679 I HA -0.103 3.392 4.170 -1.125 0.000 0.245 679 I C 0.689 176.621 176.117 -0.309 0.000 1.102 679 I CA 0.847 62.012 61.300 -0.225 0.000 1.385 679 I CB -1.655 36.145 38.000 -0.334 0.000 1.064 679 I HN -0.417 nan 8.210 nan 0.000 0.414 680 V N 3.994 123.636 119.914 -0.454 0.000 2.485 680 V HA 0.057 3.502 4.120 -1.125 0.000 0.287 680 V C -1.844 174.070 176.094 -0.300 0.000 1.022 680 V CA -1.026 60.986 62.300 -0.481 0.000 1.067 680 V CB -0.109 31.192 31.823 -0.870 0.000 0.967 680 V HN 0.145 nan 8.190 nan 0.000 0.479 681 P HA 0.050 nan 4.420 nan 0.000 0.267 681 P C -1.814 175.347 177.300 -0.232 0.000 1.201 681 P CA -0.821 62.147 63.100 -0.220 0.000 0.775 681 P CB 0.038 31.609 31.700 -0.216 0.000 0.854 682 P HA 0.004 nan 4.420 nan 0.000 0.247 682 P C -0.108 177.072 177.300 -0.200 0.000 1.225 682 P CA 1.035 64.011 63.100 -0.208 0.000 0.768 682 P CB -0.041 31.533 31.700 -0.210 0.000 1.020 683 M N -4.905 114.542 119.600 -0.255 0.000 2.520 683 M HA 0.507 4.312 4.480 -1.125 0.000 0.283 683 M C -0.357 175.800 176.300 -0.238 0.000 1.237 683 M CA -0.615 54.542 55.300 -0.238 0.000 0.885 683 M CB 1.877 34.313 32.600 -0.272 0.000 1.727 683 M HN -0.360 nan 8.290 nan 0.000 0.468 684 S N 0.610 116.227 115.700 -0.138 0.000 3.533 684 S HA -0.185 3.610 4.470 -1.125 0.000 0.347 684 S C 1.136 175.687 174.600 -0.081 0.000 1.101 684 S CA 0.914 59.074 58.200 -0.066 0.000 1.009 684 S CB -1.987 61.243 63.200 0.049 0.000 0.916 684 S HN 1.253 nan 8.310 nan 0.000 0.496 685 G N 2.427 111.148 108.800 -0.131 0.000 2.719 685 G HA2 -0.372 2.913 3.960 -1.125 0.000 0.219 685 G HA3 -0.372 2.913 3.960 -1.125 0.000 0.219 685 G C 1.463 176.217 174.900 -0.244 0.000 1.234 685 G CA 1.733 46.757 45.100 -0.128 0.000 0.788 685 G HN 1.359 nan 8.290 nan 0.000 0.619 686 S N 0.798 116.077 115.700 -0.701 0.000 2.547 686 S HA 0.030 3.825 4.470 -1.125 0.000 0.235 686 S C 2.116 176.697 174.600 -0.033 0.000 0.980 686 S CA 1.059 58.769 58.200 -0.817 0.000 0.941 686 S CB -0.443 62.063 63.200 -1.155 0.000 0.763 686 S HN 0.788 nan 8.310 nan 0.000 0.532 687 I N 0.364 120.949 120.570 0.025 0.000 3.793 687 I HA 0.220 3.715 4.170 -1.125 0.000 0.315 687 I C 0.422 176.679 176.117 0.234 0.000 1.275 687 I CA -0.210 61.180 61.300 0.150 0.000 1.214 687 I CB -0.602 37.482 38.000 0.139 0.000 1.018 687 I HN 0.219 nan 8.210 nan 0.000 0.439 688 T N -1.242 113.443 114.554 0.218 0.000 2.867 688 T HA 0.436 4.111 4.350 -1.125 0.000 0.282 688 T C -1.457 173.418 174.700 0.291 0.000 1.000 688 T CA -1.933 60.305 62.100 0.229 0.000 1.042 688 T CB 1.707 70.656 68.868 0.134 0.000 0.973 688 T HN -0.080 nan 8.240 nan 0.000 0.465 689 P HA -0.123 nan 4.420 nan 0.000 0.218 689 P C 1.825 179.328 177.300 0.337 0.000 1.148 689 P CA 1.168 64.462 63.100 0.323 0.000 0.822 689 P CB -0.350 31.484 31.700 0.223 0.000 0.784 690 V N -3.669 116.386 119.914 0.235 0.000 2.720 690 V HA -0.213 3.232 4.120 -1.125 0.000 0.256 690 V C 2.373 178.536 176.094 0.116 0.000 1.082 690 V CA 1.334 63.734 62.300 0.167 0.000 1.101 690 V CB -2.289 29.557 31.823 0.039 0.000 0.693 690 V HN -0.111 nan 8.190 nan 0.000 0.479 691 F N 1.848 121.779 119.950 -0.031 0.000 2.161 691 F HA -0.162 3.690 4.527 -1.125 0.000 0.300 691 F C 2.474 178.391 175.800 0.196 0.000 1.089 691 F CA 2.270 60.253 58.000 -0.029 0.000 1.282 691 F CB -0.267 38.603 39.000 -0.218 0.000 1.010 691 F HN 0.286 nan 8.300 nan 0.000 0.485 692 H N -1.158 118.213 119.070 0.503 0.000 2.539 692 H HA 0.092 3.973 4.556 -1.125 0.000 0.267 692 H C 0.340 175.904 175.328 0.393 0.000 0.982 692 H CA 0.163 56.470 56.048 0.432 0.000 1.146 692 H CB -0.143 29.868 29.762 0.416 0.000 1.382 692 H HN 0.239 nan 8.280 nan 0.000 0.577 693 Q N 2.168 122.236 119.800 0.447 0.000 2.322 693 Q HA 0.124 3.790 4.340 -1.125 0.000 0.256 693 Q C -0.510 175.717 176.000 0.380 0.000 0.960 693 Q CA -0.289 55.729 55.803 0.358 0.000 0.934 693 Q CB 0.617 29.540 28.738 0.308 0.000 1.200 693 Q HN 0.242 nan 8.270 nan 0.000 0.435 694 E N 3.636 124.004 120.200 0.279 0.000 2.373 694 E HA 0.231 3.906 4.350 -1.125 0.000 0.267 694 E C -0.506 176.224 176.600 0.217 0.000 1.032 694 E CA 0.284 56.812 56.400 0.213 0.000 0.889 694 E CB 0.805 30.611 29.700 0.176 0.000 0.984 694 E HN 0.608 nan 8.360 nan 0.000 0.425 695 M N 2.501 122.235 119.600 0.224 0.000 2.572 695 M HA 0.414 4.219 4.480 -1.125 0.000 0.299 695 M C -1.082 175.333 176.300 0.191 0.000 1.205 695 M CA -0.697 54.754 55.300 0.252 0.000 0.876 695 M CB 1.814 34.619 32.600 0.341 0.000 1.728 695 M HN 0.238 nan 8.290 nan 0.000 0.458 696 L N 1.685 123.034 121.223 0.211 0.000 2.341 696 L HA 0.521 4.187 4.340 -1.125 0.000 0.278 696 L C -0.583 176.384 176.870 0.162 0.000 1.005 696 L CA -0.408 54.557 54.840 0.208 0.000 0.818 696 L CB 1.763 43.990 42.059 0.280 0.000 1.259 696 L HN 0.701 nan 8.230 nan 0.000 0.418 697 N N 2.721 121.505 118.700 0.140 0.000 2.400 697 N HA 0.598 4.663 4.740 -1.125 0.000 0.288 697 N C -1.766 173.827 175.510 0.139 0.000 1.024 697 N CA -0.393 52.671 53.050 0.024 0.000 0.894 697 N CB 1.468 39.982 38.487 0.045 0.000 1.173 697 N HN 0.495 nan 8.380 nan 0.000 0.487 698 Y N -0.310 120.007 120.300 0.029 0.000 2.641 698 Y HA 0.440 4.315 4.550 -1.124 0.000 0.333 698 Y C -1.460 174.443 175.900 0.005 0.000 1.174 698 Y CA -1.350 56.764 58.100 0.023 0.000 1.057 698 Y CB 0.716 39.203 38.460 0.045 0.000 1.322 698 Y HN 0.229 nan 8.280 nan 0.000 0.457 699 R N 2.523 123.117 120.500 0.156 0.000 2.294 699 R HA 0.732 4.397 4.340 -1.125 0.000 0.319 699 R C -1.380 174.976 176.300 0.093 0.000 0.984 699 R CA -0.759 55.375 56.100 0.057 0.000 0.861 699 R CB 1.618 31.934 30.300 0.026 0.000 1.104 699 R HN 0.692 nan 8.270 nan 0.000 0.451 700 L N 1.653 122.898 121.223 0.036 0.000 2.354 700 L HA 0.524 4.189 4.340 -1.125 0.000 0.269 700 L C 0.319 177.185 176.870 -0.006 0.000 1.005 700 L CA -0.943 53.921 54.840 0.041 0.000 0.819 700 L CB 2.420 44.507 42.059 0.047 0.000 1.311 700 L HN 0.698 nan 8.230 nan 0.000 0.423 701 T N -1.077 113.481 114.554 0.007 0.000 2.940 701 T HA 0.608 4.283 4.350 -1.125 0.000 0.288 701 T C -2.671 172.048 174.700 0.031 0.000 1.033 701 T CA -2.259 59.832 62.100 -0.016 0.000 1.033 701 T CB 1.637 70.498 68.868 -0.012 0.000 1.079 701 T HN 0.188 nan 8.240 nan 0.000 0.496 702 P HA 0.306 nan 4.420 nan 0.000 0.268 702 P C -0.570 176.622 177.300 -0.179 0.000 1.208 702 P CA -0.146 62.888 63.100 -0.109 0.000 0.777 702 P CB 0.496 32.120 31.700 -0.126 0.000 0.875 703 S N 0.445 115.991 115.700 -0.257 0.000 2.607 703 S HA 0.642 4.437 4.470 -1.125 0.000 0.273 703 S C -1.308 173.052 174.600 -0.401 0.000 1.148 703 S CA -0.835 57.194 58.200 -0.286 0.000 0.833 703 S CB 0.799 63.910 63.200 -0.147 0.000 1.130 703 S HN 0.129 nan 8.310 nan 0.000 0.470 704 F N 1.386 121.256 119.950 -0.133 0.000 2.415 704 F HA 0.574 4.426 4.527 -1.126 0.000 0.348 704 F C 0.874 176.553 175.800 -0.202 0.000 1.119 704 F CA -0.274 57.645 58.000 -0.135 0.000 1.069 704 F CB 1.324 40.227 39.000 -0.162 0.000 1.124 704 F HN 0.507 nan 8.300 nan 0.000 0.472 705 E N 2.285 122.487 120.200 0.004 0.000 2.320 705 E HA 0.305 3.981 4.350 -1.125 0.000 0.264 705 E C -1.290 175.251 176.600 -0.097 0.000 0.923 705 E CA -0.907 55.422 56.400 -0.118 0.000 0.796 705 E CB 2.063 31.740 29.700 -0.039 0.000 1.262 705 E HN 0.495 nan 8.360 nan 0.000 0.428 706 Y N 0.740 121.048 120.300 0.012 0.000 2.307 706 Y HA 0.190 4.065 4.550 -1.126 0.000 0.324 706 Y C 0.942 176.828 175.900 -0.023 0.000 1.238 706 Y CA -0.298 57.796 58.100 -0.010 0.000 1.280 706 Y CB 1.210 39.652 38.460 -0.029 0.000 1.248 706 Y HN 0.304 nan 8.280 nan 0.000 0.508 707 Q N 1.310 121.192 119.800 0.135 0.000 2.462 707 Q HA 0.564 4.230 4.340 -1.125 0.000 0.285 707 Q C -3.126 172.832 176.000 -0.070 0.000 1.035 707 Q CA -2.452 53.363 55.803 0.020 0.000 0.799 707 Q CB 1.783 30.524 28.738 0.005 0.000 1.452 707 Q HN 0.315 nan 8.270 nan 0.000 0.404 708 P HA 0.081 nan 4.420 nan 0.000 0.266 708 P C -0.937 176.140 177.300 -0.372 0.000 1.195 708 P CA 0.004 62.976 63.100 -0.214 0.000 0.768 708 P CB 0.371 31.965 31.700 -0.177 0.000 0.838 709 D N 3.913 123.975 120.400 -0.563 0.000 2.488 709 D HA -0.039 3.926 4.640 -1.125 0.000 0.238 709 D C -1.009 174.682 176.300 -1.014 0.000 1.138 709 D CA -0.896 52.484 54.000 -1.033 0.000 0.873 709 D CB 0.454 40.202 40.800 -1.753 0.000 1.183 709 D HN 0.276 nan 8.370 nan 0.000 0.458 710 P HA -0.152 nan 4.420 nan 0.000 0.215 710 P C 1.400 178.188 177.300 -0.852 0.000 1.153 710 P CA 1.233 63.759 63.100 -0.957 0.000 0.853 710 P CB -0.235 30.616 31.700 -1.415 0.000 0.788 711 W N 0.820 121.567 121.300 -0.922 0.000 2.662 711 W HA 0.035 4.017 4.660 -1.130 0.000 0.249 711 W C 0.655 177.156 176.519 -0.030 0.000 1.251 711 W CA 0.299 57.427 57.345 -0.362 0.000 1.277 711 W CB -1.894 27.505 29.460 -0.101 0.000 1.140 711 W HN -0.113 nan 8.180 nan 0.000 0.645 712 N N 0.035 118.612 118.700 -0.205 0.000 2.234 712 N HA 0.103 4.169 4.740 -1.125 0.000 0.227 712 N C 0.279 175.758 175.510 -0.052 0.000 1.151 712 N CA 0.734 53.749 53.050 -0.058 0.000 0.865 712 N CB 0.775 39.167 38.487 -0.160 0.000 1.066 712 N HN 0.209 nan 8.380 nan 0.000 0.515 713 T N -2.280 112.249 114.554 -0.041 0.000 3.123 713 T HA -0.010 3.666 4.350 -1.125 0.000 0.259 713 T C 0.003 174.739 174.700 0.061 0.000 0.871 713 T CA -0.265 61.826 62.100 -0.015 0.000 0.857 713 T CB 0.536 69.354 68.868 -0.083 0.000 1.267 713 T HN 0.181 nan 8.240 nan 0.000 0.556 714 H N 3.704 122.757 119.070 -0.027 0.000 2.848 714 H HA 0.395 4.278 4.556 -1.122 0.000 0.317 714 H C 0.033 175.376 175.328 0.024 0.000 1.046 714 H CA -0.485 55.534 56.048 -0.050 0.000 1.470 714 H CB 0.494 30.194 29.762 -0.102 0.000 1.483 714 H HN 0.108 nan 8.280 nan 0.000 0.548 715 V N 4.272 123.942 119.914 -0.406 0.000 2.284 715 V HA 0.242 3.687 4.120 -1.125 0.000 0.260 715 V C -0.055 175.734 176.094 -0.509 0.000 1.084 715 V CA -1.170 60.977 62.300 -0.255 0.000 0.894 715 V CB -1.097 30.667 31.823 -0.099 0.000 1.119 715 V HN 0.582 nan 8.190 nan 0.000 0.484 716 W N 0.000 120.980 121.300 -0.534 0.000 2.388 716 W HA 0.000 3.982 4.660 -1.130 0.000 0.303 716 W CA 0.000 57.143 57.345 -0.337 0.000 1.226 716 W CB 0.000 29.399 29.460 -0.101 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535