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 2gk6_1_B DATA FIRST_RESID 293 DATA SEQUENCE GSRYEDAYQY QNIFGPLVKL EADYDKKLKE SQTQDNITVR WDLGLNKKRI DATA SEQUENCE AYFTLPXXXX XXXLMQGDEI CLRYKGDLAP LWKGIGHVIK VPDNYGDEIA DATA SEQUENCE IELRSSVGAP VEVTHNFQVD FVWKSTSFDR MQSALKTFAV DETSVSGYIY DATA SEQUENCE HKLLGHEVED VIIKCQLPKR FTAQGLPDLN HSQVYAVKTV LQRPLSLIQG DATA SEQUENCE PPGTGKTVTS ATIVYHLARQ GNGPVLVcAP SNIAVDQLTE KIHQTGLKVV DATA SEQUENCE RLCAKSREAI DSPVSFLALH NQIRNMDSMP ELQKLQQLKD XXXXLSSADE DATA SEQUENCE KRYRALKRTA ERELLMNADV ICcTCVGAGD PRLAKMQFRS ILIDESTQAT DATA SEQUENCE EPECMVPVVL GAKQLILVGD HCQLGPVVMC KKAAKAGLSQ SLFERLVVLG DATA SEQUENCE IRPIRLQVQY RMHPALSAFP SNIFYEGSLQ NGVTAADRVK KGFDFQWPQP DATA SEQUENCE DKPMFFYVTQ GQEEIASSGT SYLNRTEAAN VEKITTKLLK AGAKPDQIGI DATA SEQUENCE ITPYEGQRSY LVQYMQFSGS LHTKLYQEVE IASVDAFQGR EKDFIILSCV DATA SEQUENCE RXXXXXXIGF LNDPRRLNVA LTRARYGVII VGNPKALSKQ PLWNHLLNYY DATA SEQUENCE KEQKVLVEGP LNNLRESLM 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 293 G HA2 0.000 nan 3.960 nan 0.000 0.244 293 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 293 G C 0.000 174.859 174.900 -0.068 0.000 0.946 293 G CA 0.000 45.081 45.100 -0.032 0.000 0.502 294 S N 0.259 115.933 115.700 -0.043 0.000 4.069 294 S HA 0.370 4.840 4.470 0.001 0.000 0.192 294 S C 0.473 175.019 174.600 -0.089 0.000 1.441 294 S CA -0.203 57.956 58.200 -0.069 0.000 0.994 294 S CB -0.797 62.436 63.200 0.056 0.000 1.456 294 S HN 0.509 nan 8.310 nan 0.000 0.458 295 R N 1.709 122.078 120.500 -0.219 0.000 2.637 295 R HA 0.530 4.870 4.340 0.001 0.000 0.291 295 R C -1.609 174.523 176.300 -0.279 0.000 0.963 295 R CA -0.510 55.536 56.100 -0.090 0.000 0.901 295 R CB 0.844 31.144 30.300 0.001 0.000 1.160 295 R HN 0.318 nan 8.270 nan 0.000 0.457 296 Y N 0.902 121.287 120.300 0.141 0.000 2.524 296 Y HA 0.225 4.775 4.550 0.001 0.000 0.344 296 Y C 0.911 176.956 175.900 0.241 0.000 1.012 296 Y CA -0.907 57.294 58.100 0.169 0.000 1.068 296 Y CB 2.014 40.602 38.460 0.213 0.000 1.249 296 Y HN 0.682 nan 8.280 nan 0.000 0.468 297 E N 0.495 120.910 120.200 0.358 0.000 2.170 297 E HA -0.025 4.326 4.350 0.001 0.000 0.191 297 E C -0.558 176.249 176.600 0.344 0.000 0.981 297 E CA 1.037 57.620 56.400 0.306 0.000 0.830 297 E CB 0.440 30.247 29.700 0.179 0.000 0.775 297 E HN 0.778 nan 8.360 nan 0.000 0.470 298 D N -2.982 117.589 120.400 0.286 0.000 2.692 298 D HA 0.201 4.842 4.640 0.001 0.000 0.303 298 D C 0.011 176.351 176.300 0.066 0.000 1.278 298 D CA -0.109 54.019 54.000 0.214 0.000 0.852 298 D CB 0.322 41.292 40.800 0.283 0.000 1.375 298 D HN -0.089 nan 8.370 nan 0.000 0.453 299 A N -1.012 121.737 122.820 -0.119 0.000 2.119 299 A HA 0.042 4.363 4.320 0.001 0.000 0.216 299 A C 1.548 179.052 177.584 -0.134 0.000 1.152 299 A CA 0.723 52.532 52.037 -0.380 0.000 0.708 299 A CB -0.976 17.432 19.000 -0.988 0.000 0.805 299 A HN 0.525 nan 8.150 nan 0.000 0.460 300 Y N -0.569 119.765 120.300 0.058 0.000 2.220 300 Y HA -0.190 4.361 4.550 0.001 0.000 0.291 300 Y C 2.730 178.710 175.900 0.133 0.000 1.129 300 Y CA 1.700 59.852 58.100 0.087 0.000 1.161 300 Y CB -0.114 38.384 38.460 0.063 0.000 0.997 300 Y HN 0.366 nan 8.280 nan 0.000 0.522 301 Q N -0.465 119.522 119.800 0.311 0.000 2.119 301 Q HA -0.263 4.077 4.340 0.001 0.000 0.201 301 Q C 2.082 178.266 176.000 0.308 0.000 0.972 301 Q CA 1.674 57.648 55.803 0.286 0.000 0.847 301 Q CB -0.406 28.514 28.738 0.303 0.000 0.903 301 Q HN 0.649 nan 8.270 nan 0.000 0.433 302 Y N 1.289 121.667 120.300 0.130 0.000 2.165 302 Y HA -0.303 4.247 4.550 0.001 0.000 0.286 302 Y C 2.434 178.424 175.900 0.150 0.000 1.155 302 Y CA 2.400 60.488 58.100 -0.019 0.000 1.164 302 Y CB -0.197 38.190 38.460 -0.123 0.000 0.978 302 Y HN 0.217 nan 8.280 nan 0.000 0.513 303 Q N 0.019 119.982 119.800 0.272 0.000 2.079 303 Q HA -0.200 4.141 4.340 0.001 0.000 0.200 303 Q C 1.689 177.773 176.000 0.139 0.000 0.974 303 Q CA 1.610 57.531 55.803 0.198 0.000 0.840 303 Q CB -0.227 28.634 28.738 0.204 0.000 0.898 303 Q HN 0.479 nan 8.270 nan 0.000 0.430 304 N N 0.339 119.130 118.700 0.152 0.000 2.348 304 N HA -0.116 4.625 4.740 0.001 0.000 0.185 304 N C 1.517 177.065 175.510 0.064 0.000 1.019 304 N CA 1.126 54.245 53.050 0.115 0.000 0.880 304 N CB 0.031 38.595 38.487 0.128 0.000 0.965 304 N HN 0.412 nan 8.380 nan 0.000 0.437 305 I N -1.508 119.082 120.570 0.034 0.000 3.039 305 I HA -0.008 4.163 4.170 0.001 0.000 0.270 305 I C 1.273 177.271 176.117 -0.199 0.000 1.150 305 I CA 0.296 61.548 61.300 -0.080 0.000 1.448 305 I CB 0.063 38.025 38.000 -0.063 0.000 1.197 305 I HN -0.113 nan 8.210 nan 0.000 0.450 306 F N 0.830 120.685 119.950 -0.159 0.000 2.335 306 F HA 0.084 4.611 4.527 0.001 0.000 0.296 306 F C 2.467 178.227 175.800 -0.067 0.000 1.091 306 F CA 0.985 58.882 58.000 -0.173 0.000 1.399 306 F CB -0.615 38.159 39.000 -0.378 0.000 1.067 306 F HN -0.017 nan 8.300 nan 0.000 0.520 307 G N 1.331 110.212 108.800 0.135 0.000 2.514 307 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 307 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 307 G C -0.739 174.214 174.900 0.088 0.000 1.198 307 G CA 0.946 46.115 45.100 0.115 0.000 0.780 307 G HN 0.209 nan 8.290 nan 0.000 0.565 308 P HA -0.039 nan 4.420 nan 0.000 0.218 308 P C 1.931 179.249 177.300 0.029 0.000 1.148 308 P CA 0.424 63.545 63.100 0.035 0.000 0.822 308 P CB -0.025 31.684 31.700 0.015 0.000 0.784 309 L N -0.910 120.329 121.223 0.026 0.000 2.046 309 L HA -0.137 4.204 4.340 0.001 0.000 0.208 309 L C 2.411 179.327 176.870 0.078 0.000 1.077 309 L CA 1.721 56.580 54.840 0.032 0.000 0.747 309 L CB -1.593 40.477 42.059 0.017 0.000 0.896 309 L HN -0.125 nan 8.230 nan 0.000 0.432 310 V N -0.680 119.307 119.914 0.123 0.000 2.343 310 V HA -0.290 3.831 4.120 0.001 0.000 0.247 310 V C 2.517 178.669 176.094 0.098 0.000 1.051 310 V CA 1.460 63.859 62.300 0.165 0.000 1.036 310 V CB -0.582 31.363 31.823 0.203 0.000 0.654 310 V HN 0.442 nan 8.190 nan 0.000 0.451 311 K N -0.422 120.017 120.400 0.064 0.000 2.032 311 K HA -0.201 4.119 4.320 0.001 0.000 0.209 311 K C 2.148 178.732 176.600 -0.026 0.000 1.048 311 K CA 1.456 57.752 56.287 0.016 0.000 0.927 311 K CB -0.450 32.066 32.500 0.027 0.000 0.712 311 K HN 0.237 nan 8.250 nan 0.000 0.441 312 L N 1.680 122.902 121.223 -0.002 0.000 1.990 312 L HA -0.235 4.105 4.340 0.001 0.000 0.213 312 L C 2.416 179.285 176.870 -0.002 0.000 1.072 312 L CA 1.766 56.605 54.840 -0.002 0.000 0.755 312 L CB -0.322 41.737 42.059 0.000 0.000 0.889 312 L HN 0.214 nan 8.230 nan 0.000 0.432 313 E N -1.121 119.075 120.200 -0.007 0.000 2.208 313 E HA -0.140 4.210 4.350 0.001 0.000 0.193 313 E C 2.143 178.641 176.600 -0.170 0.000 0.988 313 E CA 0.900 57.306 56.400 0.010 0.000 0.828 313 E CB 0.047 29.814 29.700 0.110 0.000 0.763 313 E HN 0.517 nan 8.360 nan 0.000 0.478 314 A N 1.111 123.653 122.820 -0.463 0.000 1.877 314 A HA -0.214 4.107 4.320 0.001 0.000 0.216 314 A C 1.877 179.162 177.584 -0.497 0.000 1.186 314 A CA 1.932 53.335 52.037 -1.058 0.000 0.620 314 A CB -0.448 18.126 19.000 -0.711 0.000 0.822 314 A HN 0.153 nan 8.150 nan 0.000 0.443 315 D N -2.662 117.556 120.400 -0.304 0.000 2.194 315 D HA -0.095 4.545 4.640 0.001 0.000 0.204 315 D C 1.641 177.801 176.300 -0.234 0.000 0.964 315 D CA 0.797 54.610 54.000 -0.312 0.000 0.846 315 D CB -0.153 40.526 40.800 -0.201 0.000 0.962 315 D HN 0.500 nan 8.370 nan 0.000 0.490 316 Y N 0.804 120.979 120.300 -0.208 0.000 2.181 316 Y HA -0.186 4.365 4.550 0.001 0.000 0.288 316 Y C 1.767 177.593 175.900 -0.123 0.000 1.146 316 Y CA 1.916 59.935 58.100 -0.134 0.000 1.164 316 Y CB -0.258 38.160 38.460 -0.070 0.000 0.982 316 Y HN -0.041 nan 8.280 nan 0.000 0.515 317 D N -0.294 120.159 120.400 0.088 0.000 2.144 317 D HA -0.191 4.450 4.640 0.001 0.000 0.200 317 D C 2.206 178.438 176.300 -0.112 0.000 0.978 317 D CA 1.508 55.590 54.000 0.138 0.000 0.833 317 D CB -0.182 40.851 40.800 0.388 0.000 0.961 317 D HN 0.336 nan 8.370 nan 0.000 0.470 318 K N -0.003 120.057 120.400 -0.567 0.000 1.985 318 K HA -0.182 4.139 4.320 0.001 0.000 0.210 318 K C 1.961 178.269 176.600 -0.487 0.000 1.047 318 K CA 1.218 56.874 56.287 -1.052 0.000 0.932 318 K CB 0.038 31.608 32.500 -1.550 0.000 0.716 318 K HN -0.142 nan 8.250 nan 0.000 0.439 319 K N 0.852 121.008 120.400 -0.407 0.000 2.063 319 K HA -0.142 4.178 4.320 0.001 0.000 0.208 319 K C 1.925 178.371 176.600 -0.257 0.000 1.048 319 K CA 1.069 57.177 56.287 -0.299 0.000 0.928 319 K CB -0.461 31.857 32.500 -0.304 0.000 0.713 319 K HN 0.128 nan 8.250 nan 0.000 0.442 320 L N 1.028 122.070 121.223 -0.302 0.000 1.989 320 L HA -0.209 4.131 4.340 0.001 0.000 0.211 320 L C 1.998 178.804 176.870 -0.106 0.000 1.071 320 L CA 1.908 56.614 54.840 -0.224 0.000 0.749 320 L CB -0.452 41.494 42.059 -0.187 0.000 0.890 320 L HN 0.007 nan 8.230 nan 0.000 0.431 321 K N -0.239 120.132 120.400 -0.049 0.000 2.097 321 K HA -0.168 4.153 4.320 0.001 0.000 0.206 321 K C 1.984 178.630 176.600 0.077 0.000 1.049 321 K CA 1.700 58.019 56.287 0.052 0.000 0.933 321 K CB -0.095 32.526 32.500 0.201 0.000 0.717 321 K HN 0.495 nan 8.250 nan 0.000 0.442 322 E N -0.748 119.455 120.200 0.006 0.000 2.208 322 E HA -0.061 4.289 4.350 0.001 0.000 0.193 322 E C 1.518 178.129 176.600 0.017 0.000 0.988 322 E CA 1.011 57.422 56.400 0.019 0.000 0.828 322 E CB 0.167 29.840 29.700 -0.045 0.000 0.763 322 E HN 0.186 nan 8.360 nan 0.000 0.478 323 S N 0.966 116.652 115.700 -0.024 0.000 2.522 323 S HA -0.064 4.406 4.470 0.001 0.000 0.227 323 S C 1.427 176.034 174.600 0.012 0.000 0.986 323 S CA 0.452 58.638 58.200 -0.024 0.000 0.929 323 S CB 0.037 63.196 63.200 -0.069 0.000 0.769 323 S HN 0.259 nan 8.310 nan 0.000 0.529 324 Q N 0.930 120.755 119.800 0.040 0.000 2.444 324 Q HA 0.108 4.449 4.340 0.001 0.000 0.206 324 Q C -0.043 176.134 176.000 0.294 0.000 0.948 324 Q CA 0.208 56.058 55.803 0.078 0.000 0.946 324 Q CB 0.004 28.624 28.738 -0.197 0.000 1.027 324 Q HN 0.230 nan 8.270 nan 0.000 0.513 325 T N 2.366 117.046 114.554 0.210 0.000 2.888 325 T HA 0.055 4.405 4.350 0.001 0.000 0.301 325 T C -0.113 174.653 174.700 0.111 0.000 1.001 325 T CA 0.344 62.539 62.100 0.159 0.000 1.147 325 T CB 0.431 69.349 68.868 0.083 0.000 0.931 325 T HN 0.096 nan 8.240 nan 0.000 0.541 326 Q N 2.814 122.668 119.800 0.090 0.000 2.394 326 Q HA 0.441 4.782 4.340 0.001 0.000 0.273 326 Q C -0.912 175.099 176.000 0.019 0.000 1.089 326 Q CA -0.892 54.947 55.803 0.060 0.000 0.812 326 Q CB 2.383 31.172 28.738 0.085 0.000 1.353 326 Q HN 0.722 nan 8.270 nan 0.000 0.438 327 D N -0.408 120.002 120.400 0.016 0.000 2.506 327 D HA 0.303 4.944 4.640 0.001 0.000 0.254 327 D C -0.704 175.603 176.300 0.012 0.000 1.089 327 D CA -0.848 53.156 54.000 0.006 0.000 1.050 327 D CB 0.409 41.207 40.800 -0.002 0.000 1.221 327 D HN 0.390 nan 8.370 nan 0.000 0.589 328 N N -0.965 117.743 118.700 0.012 0.000 2.705 328 N HA -0.122 4.618 4.740 0.001 0.000 0.255 328 N C -1.237 174.279 175.510 0.010 0.000 1.008 328 N CA 0.398 53.456 53.050 0.012 0.000 0.742 328 N CB -0.793 37.697 38.487 0.005 0.000 0.906 328 N HN 0.343 nan 8.380 nan 0.000 0.541 329 I N 0.269 120.866 120.570 0.045 0.000 2.377 329 I HA 0.235 4.406 4.170 0.001 0.000 0.293 329 I C 0.916 177.075 176.117 0.071 0.000 0.987 329 I CA -0.259 61.058 61.300 0.028 0.000 1.185 329 I CB 1.354 39.327 38.000 -0.046 0.000 1.341 329 I HN 0.005 nan 8.210 nan 0.000 0.455 330 T N 5.681 120.241 114.554 0.011 0.000 2.889 330 T HA 0.513 4.863 4.350 0.001 0.000 0.291 330 T C 0.317 175.023 174.700 0.011 0.000 0.995 330 T CA -0.303 61.811 62.100 0.022 0.000 1.092 330 T CB 1.606 70.455 68.868 -0.031 0.000 0.954 330 T HN 0.273 nan 8.240 nan 0.000 0.506 331 V N 3.518 123.394 119.914 -0.064 0.000 2.994 331 V HA 0.592 4.712 4.120 0.001 0.000 0.318 331 V C 0.028 176.023 176.094 -0.165 0.000 1.085 331 V CA -1.100 61.028 62.300 -0.286 0.000 0.998 331 V CB 1.960 33.219 31.823 -0.941 0.000 1.063 331 V HN 0.733 nan 8.190 nan 0.000 0.447 332 R N 1.410 121.793 120.500 -0.194 0.000 2.473 332 R HA 0.368 4.708 4.340 0.001 0.000 0.303 332 R C -1.678 174.586 176.300 -0.060 0.000 1.002 332 R CA -0.371 55.710 56.100 -0.031 0.000 0.884 332 R CB 1.618 31.955 30.300 0.061 0.000 1.173 332 R HN 0.657 nan 8.270 nan 0.000 0.464 333 W N 1.898 123.234 121.300 0.061 0.000 2.253 333 W HA 0.360 5.021 4.660 0.001 0.000 0.348 333 W C 0.553 177.118 176.519 0.077 0.000 1.229 333 W CA 0.403 57.765 57.345 0.029 0.000 1.335 333 W CB 0.785 30.221 29.460 -0.041 0.000 1.165 333 W HN 0.352 nan 8.180 nan 0.000 0.631 334 D N -0.337 120.254 120.400 0.319 0.000 2.713 334 D HA 0.424 5.065 4.640 0.001 0.000 0.306 334 D C -1.870 174.518 176.300 0.147 0.000 1.299 334 D CA -0.687 53.443 54.000 0.216 0.000 0.823 334 D CB 1.630 42.595 40.800 0.275 0.000 1.353 334 D HN 0.228 nan 8.370 nan 0.000 0.447 335 L N 1.443 122.727 121.223 0.102 0.000 2.446 335 L HA 0.514 4.855 4.340 0.001 0.000 0.268 335 L C 0.661 177.562 176.870 0.051 0.000 0.975 335 L CA -0.543 54.335 54.840 0.063 0.000 0.848 335 L CB 1.599 43.684 42.059 0.044 0.000 1.225 335 L HN 0.497 nan 8.230 nan 0.000 0.410 336 G N 2.801 111.623 108.800 0.036 0.000 2.699 336 G HA2 0.187 4.147 3.960 0.001 0.000 0.246 336 G HA3 0.187 4.147 3.960 0.001 0.000 0.246 336 G C 0.852 175.766 174.900 0.025 0.000 1.219 336 G CA -0.501 44.616 45.100 0.028 0.000 0.866 336 G HN 0.699 nan 8.290 nan 0.000 0.572 337 L N 0.651 121.887 121.223 0.022 0.000 2.552 337 L HA -0.018 4.323 4.340 0.001 0.000 0.227 337 L C 1.994 178.874 176.870 0.016 0.000 1.146 337 L CA 0.610 55.461 54.840 0.018 0.000 0.858 337 L CB -0.437 41.631 42.059 0.016 0.000 0.969 337 L HN 0.653 nan 8.230 nan 0.000 0.451 338 N N -0.373 118.338 118.700 0.018 0.000 2.461 338 N HA -0.119 4.621 4.740 0.001 0.000 0.188 338 N C 0.694 176.213 175.510 0.016 0.000 1.134 338 N CA 0.156 53.217 53.050 0.019 0.000 0.878 338 N CB 0.068 38.569 38.487 0.023 0.000 0.972 338 N HN -0.052 nan 8.380 nan 0.000 0.456 339 K N -1.239 119.171 120.400 0.016 0.000 3.547 339 K HA -0.186 4.134 4.320 0.001 0.000 0.309 339 K C -0.780 175.830 176.600 0.017 0.000 1.324 339 K CA 0.987 57.282 56.287 0.014 0.000 0.988 339 K CB -1.774 30.731 32.500 0.009 0.000 1.261 339 K HN 0.476 nan 8.250 nan 0.000 0.444 340 K N 1.858 122.269 120.400 0.018 0.000 2.379 340 K HA 0.121 4.442 4.320 0.001 0.000 0.284 340 K C 0.009 176.621 176.600 0.020 0.000 1.044 340 K CA -0.197 56.101 56.287 0.019 0.000 0.974 340 K CB 0.495 33.002 32.500 0.010 0.000 0.962 340 K HN 0.099 nan 8.250 nan 0.000 0.474 341 R N 2.564 123.091 120.500 0.045 0.000 2.442 341 R HA 0.162 4.502 4.340 0.001 0.000 0.291 341 R C 0.223 176.549 176.300 0.043 0.000 1.069 341 R CA -0.124 56.026 56.100 0.083 0.000 1.022 341 R CB 0.443 30.835 30.300 0.152 0.000 0.976 341 R HN 0.460 nan 8.270 nan 0.000 0.443 342 I N 1.484 122.055 120.570 0.001 0.000 2.607 342 I HA 0.443 4.614 4.170 0.001 0.000 0.305 342 I C -0.700 175.275 176.117 -0.237 0.000 0.995 342 I CA -0.518 60.675 61.300 -0.179 0.000 1.148 342 I CB 1.931 39.766 38.000 -0.276 0.000 1.323 342 I HN 0.669 nan 8.210 nan 0.000 0.461 343 A N 6.784 129.343 122.820 -0.436 0.000 2.385 343 A HA 0.624 4.944 4.320 0.001 0.000 0.290 343 A C -1.720 175.559 177.584 -0.510 0.000 1.094 343 A CA -0.417 51.296 52.037 -0.541 0.000 0.729 343 A CB 0.603 19.207 19.000 -0.660 0.000 1.194 343 A HN 0.581 nan 8.150 nan 0.000 0.442 344 Y N 1.208 121.333 120.300 -0.291 0.000 2.403 344 Y HA 0.741 5.291 4.550 0.001 0.000 0.323 344 Y C 0.104 175.885 175.900 -0.200 0.000 1.226 344 Y CA -0.197 57.707 58.100 -0.326 0.000 1.235 344 Y CB 1.307 39.651 38.460 -0.193 0.000 1.248 344 Y HN 0.761 nan 8.280 nan 0.000 0.489 345 F N -2.618 117.335 119.950 0.006 0.000 2.829 345 F HA 0.634 5.162 4.527 0.001 0.000 0.319 345 F C -1.514 174.284 175.800 -0.004 0.000 1.153 345 F CA -1.273 56.698 58.000 -0.048 0.000 0.912 345 F CB 0.841 39.764 39.000 -0.128 0.000 1.292 345 F HN 0.240 nan 8.300 nan 0.000 0.447 346 T N 2.460 117.167 114.554 0.255 0.000 2.876 346 T HA 0.719 5.070 4.350 0.001 0.000 0.289 346 T C -1.449 173.367 174.700 0.193 0.000 1.014 346 T CA -0.549 61.648 62.100 0.162 0.000 0.986 346 T CB 1.880 70.790 68.868 0.070 0.000 1.021 346 T HN 0.580 nan 8.240 nan 0.000 0.458 347 L N 3.908 125.239 121.223 0.180 0.000 2.322 347 L HA 0.557 4.898 4.340 0.001 0.000 0.281 347 L C -1.689 175.249 176.870 0.112 0.000 1.014 347 L CA -1.756 53.186 54.840 0.170 0.000 0.815 347 L CB 0.249 42.450 42.059 0.236 0.000 1.247 347 L HN 0.494 nan 8.230 nan 0.000 0.421 357 M N 1.758 121.407 119.600 0.082 0.000 2.471 357 M HA 0.501 4.982 4.480 0.001 0.000 0.284 357 M C -1.557 174.780 176.300 0.061 0.000 1.203 357 M CA -0.515 54.819 55.300 0.055 0.000 0.915 357 M CB 2.192 34.816 32.600 0.039 0.000 1.734 357 M HN 0.686 nan 8.290 nan 0.000 0.485 358 Q N 1.531 121.356 119.800 0.041 0.000 2.300 358 Q HA 0.469 4.809 4.340 0.001 0.000 0.280 358 Q C 0.918 176.935 176.000 0.029 0.000 1.033 358 Q CA 2.142 57.971 55.803 0.043 0.000 0.903 358 Q CB 0.462 29.215 28.738 0.026 0.000 1.195 358 Q HN 0.946 nan 8.270 nan 0.000 0.386 359 G N 2.047 110.874 108.800 0.046 0.000 2.308 359 G HA2 -0.240 3.721 3.960 0.001 0.000 0.221 359 G HA3 -0.240 3.721 3.960 0.001 0.000 0.221 359 G C -0.266 174.661 174.900 0.044 0.000 1.032 359 G CA -0.158 44.933 45.100 -0.015 0.000 0.623 359 G HN 0.634 nan 8.290 nan 0.000 0.506 360 D N 2.223 122.668 120.400 0.075 0.000 2.548 360 D HA 0.328 4.968 4.640 0.001 0.000 0.231 360 D C 0.719 177.099 176.300 0.133 0.000 1.142 360 D CA 0.742 54.805 54.000 0.106 0.000 0.866 360 D CB 0.439 41.329 40.800 0.149 0.000 1.190 360 D HN 0.601 nan 8.370 nan 0.000 0.469 361 E N 1.174 121.446 120.200 0.120 0.000 2.227 361 E HA 0.450 4.801 4.350 0.001 0.000 0.282 361 E C -0.081 176.575 176.600 0.094 0.000 1.015 361 E CA -0.440 56.025 56.400 0.107 0.000 0.823 361 E CB 1.492 31.239 29.700 0.080 0.000 1.081 361 E HN 0.318 nan 8.360 nan 0.000 0.396 362 I N 1.691 122.284 120.570 0.039 0.000 2.693 362 I HA 0.259 4.429 4.170 0.001 0.000 0.303 362 I C -0.661 175.420 176.117 -0.060 0.000 1.025 362 I CA -0.919 60.341 61.300 -0.067 0.000 1.086 362 I CB 1.833 39.756 38.000 -0.129 0.000 1.268 362 I HN 0.542 nan 8.210 nan 0.000 0.440 363 C N 7.411 126.649 119.300 -0.104 0.000 2.271 363 C HA 0.512 4.972 4.460 0.001 0.000 0.323 363 C C -0.288 174.630 174.990 -0.120 0.000 1.245 363 C CA -0.620 58.341 59.018 -0.094 0.000 1.548 363 C CB -0.578 27.118 27.740 -0.074 0.000 2.214 363 C HN 0.657 nan 8.230 nan 0.000 0.477 364 L N 6.883 128.053 121.223 -0.088 0.000 2.290 364 L HA 0.563 4.904 4.340 0.001 0.000 0.284 364 L C 0.108 176.992 176.870 0.023 0.000 1.078 364 L CA 0.066 54.910 54.840 0.006 0.000 0.815 364 L CB 0.590 42.746 42.059 0.162 0.000 1.162 364 L HN 0.746 nan 8.230 nan 0.000 0.435 365 R N 3.733 124.319 120.500 0.144 0.000 2.621 365 R HA 0.316 4.656 4.340 0.001 0.000 0.292 365 R C -1.436 175.028 176.300 0.272 0.000 0.969 365 R CA -0.757 55.417 56.100 0.123 0.000 0.887 365 R CB 2.104 32.401 30.300 -0.005 0.000 1.180 365 R HN 0.422 nan 8.270 nan 0.000 0.450 366 Y N 2.281 122.647 120.300 0.110 0.000 2.353 366 Y HA 0.300 4.851 4.550 0.001 0.000 0.340 366 Y C -0.681 175.136 175.900 -0.138 0.000 0.972 366 Y CA -0.544 57.411 58.100 -0.242 0.000 1.157 366 Y CB 1.039 39.352 38.460 -0.244 0.000 1.157 366 Y HN 0.406 nan 8.280 nan 0.000 0.495 367 K N 5.824 125.825 120.400 -0.664 0.000 2.606 367 K HA 0.444 4.764 4.320 0.001 0.000 0.196 367 K C -0.324 175.838 176.600 -0.730 0.000 1.048 367 K CA -0.414 55.540 56.287 -0.556 0.000 1.017 367 K CB 1.034 33.377 32.500 -0.262 0.000 1.413 367 K HN 0.810 nan 8.250 nan 0.000 0.568 368 G N 0.121 108.218 108.800 -1.171 0.000 2.818 368 G HA2 0.131 4.091 3.960 0.001 0.000 0.286 368 G HA3 0.131 4.091 3.960 0.001 0.000 0.286 368 G C -0.145 174.584 174.900 -0.284 0.000 1.364 368 G CA -0.574 44.103 45.100 -0.706 0.000 0.938 368 G HN 0.187 nan 8.290 nan 0.000 0.490 369 D N -0.662 119.698 120.400 -0.066 0.000 2.264 369 D HA -0.031 4.610 4.640 0.001 0.000 0.208 369 D C 1.302 177.630 176.300 0.047 0.000 0.966 369 D CA 0.529 54.525 54.000 -0.007 0.000 0.864 369 D CB 0.107 40.915 40.800 0.014 0.000 0.933 369 D HN -0.029 nan 8.370 nan 0.000 0.499 370 L N 0.266 121.570 121.223 0.135 0.000 2.479 370 L HA 0.243 4.583 4.340 0.001 0.000 0.248 370 L C 1.675 178.633 176.870 0.146 0.000 1.205 370 L CA -0.234 54.691 54.840 0.141 0.000 0.817 370 L CB -0.268 41.884 42.059 0.155 0.000 1.162 370 L HN -0.115 nan 8.230 nan 0.000 0.486 371 A N 0.446 123.321 122.820 0.093 0.000 2.235 371 A HA 0.097 4.417 4.320 0.001 0.000 0.208 371 A C -0.568 177.072 177.584 0.093 0.000 1.172 371 A CA -0.053 52.029 52.037 0.074 0.000 0.786 371 A CB -1.240 17.783 19.000 0.037 0.000 0.804 371 A HN 0.739 nan 8.150 nan 0.000 0.479 372 P HA -0.027 nan 4.420 nan 0.000 0.206 372 P C 0.103 177.556 177.300 0.255 0.000 1.209 372 P CA 0.179 63.376 63.100 0.162 0.000 0.923 372 P CB -0.174 31.570 31.700 0.073 0.000 0.761 373 L N -1.552 119.899 121.223 0.379 0.000 3.642 373 L HA -0.190 4.150 4.340 0.001 0.000 0.613 373 L C -0.585 176.468 176.870 0.304 0.000 1.064 373 L CA 0.081 55.077 54.840 0.260 0.000 1.039 373 L CB -1.451 40.663 42.059 0.091 0.000 1.226 373 L HN 0.368 nan 8.230 nan 0.000 0.764 374 W N 5.356 126.751 121.300 0.159 0.000 2.819 374 W HA 0.620 5.281 4.660 0.001 0.000 0.337 374 W C -0.531 176.071 176.519 0.138 0.000 1.077 374 W CA -1.037 56.384 57.345 0.127 0.000 1.226 374 W CB 1.264 30.799 29.460 0.125 0.000 1.419 374 W HN 0.156 nan 8.180 nan 0.000 0.502 375 K N 3.457 123.415 120.400 -0.737 0.000 2.203 375 K HA 0.825 5.146 4.320 0.001 0.000 0.251 375 K C -0.702 174.918 176.600 -1.633 0.000 0.944 375 K CA -0.893 54.839 56.287 -0.925 0.000 0.829 375 K CB 1.645 33.894 32.500 -0.418 0.000 1.125 375 K HN 0.799 nan 8.250 nan 0.000 0.430 376 G N 3.239 111.295 108.800 -1.239 0.000 2.761 376 G HA2 0.421 4.382 3.960 0.001 0.000 0.296 376 G HA3 0.421 4.382 3.960 0.001 0.000 0.296 376 G C -1.497 173.267 174.900 -0.227 0.000 1.416 376 G CA -0.658 44.015 45.100 -0.711 0.000 1.105 376 G HN 0.541 nan 8.290 nan 0.000 0.565 377 I N 1.112 121.638 120.570 -0.073 0.000 2.460 377 I HA 0.801 4.971 4.170 0.001 0.000 0.298 377 I C 0.742 176.883 176.117 0.039 0.000 0.989 377 I CA -0.448 60.843 61.300 -0.016 0.000 1.173 377 I CB 2.320 40.311 38.000 -0.014 0.000 1.338 377 I HN 0.703 nan 8.210 nan 0.000 0.456 378 G N 2.444 111.263 108.800 0.031 0.000 2.660 378 G HA2 0.542 4.502 3.960 0.001 0.000 0.290 378 G HA3 0.542 4.502 3.960 0.001 0.000 0.290 378 G C -1.864 173.046 174.900 0.017 0.000 1.432 378 G CA -0.615 44.484 45.100 -0.002 0.000 0.807 378 G HN 0.730 nan 8.290 nan 0.000 0.485 379 H N -1.498 117.581 119.070 0.015 0.000 2.499 379 H HA 0.730 5.286 4.556 0.001 0.000 0.340 379 H C -0.090 175.236 175.328 -0.003 0.000 1.148 379 H CA -1.120 54.933 56.048 0.009 0.000 1.215 379 H CB 1.346 31.109 29.762 0.002 0.000 1.529 379 H HN 0.332 nan 8.280 nan 0.000 0.510 380 V N 2.930 122.949 119.914 0.176 0.000 2.740 380 V HA -0.047 4.074 4.120 0.001 0.000 0.303 380 V C 0.528 176.704 176.094 0.136 0.000 1.054 380 V CA 0.475 62.831 62.300 0.093 0.000 1.106 380 V CB 0.483 32.367 31.823 0.101 0.000 0.957 380 V HN 0.866 nan 8.190 nan 0.000 0.486 381 I N 2.922 123.508 120.570 0.027 0.000 4.263 381 I HA 0.367 4.537 4.170 0.001 0.000 0.335 381 I C -0.113 176.007 176.117 0.006 0.000 1.389 381 I CA 0.355 61.676 61.300 0.035 0.000 1.156 381 I CB 0.080 38.081 38.000 0.003 0.000 1.510 381 I HN 0.574 nan 8.210 nan 0.000 0.566 382 K N 1.275 121.674 120.400 -0.002 0.000 2.584 382 K HA 0.406 4.727 4.320 0.001 0.000 0.260 382 K C -1.697 174.915 176.600 0.020 0.000 0.949 382 K CA -0.310 55.989 56.287 0.022 0.000 0.888 382 K CB 1.610 34.141 32.500 0.051 0.000 1.330 382 K HN -0.153 nan 8.250 nan 0.000 0.432 383 V N 0.530 120.469 119.914 0.042 0.000 2.881 383 V HA 0.722 4.843 4.120 0.001 0.000 0.316 383 V C -2.611 173.517 176.094 0.057 0.000 1.070 383 V CA -2.511 59.817 62.300 0.047 0.000 0.976 383 V CB 1.194 33.047 31.823 0.050 0.000 1.038 383 V HN 0.571 nan 8.190 nan 0.000 0.446 384 P HA 0.306 nan 4.420 nan 0.000 0.267 384 P C -1.240 176.087 177.300 0.045 0.000 1.205 384 P CA 0.515 63.640 63.100 0.042 0.000 0.765 384 P CB 0.345 32.067 31.700 0.036 0.000 0.828 385 D N 1.000 121.430 120.400 0.051 0.000 3.455 385 D HA 0.110 4.750 4.640 0.001 0.000 0.320 385 D C 0.570 176.899 176.300 0.048 0.000 1.401 385 D CA -0.328 53.704 54.000 0.055 0.000 0.982 385 D CB -0.496 40.347 40.800 0.071 0.000 1.397 385 D HN -0.053 nan 8.370 nan 0.000 0.607 386 N N -1.511 117.229 118.700 0.066 0.000 2.223 386 N HA -0.099 4.642 4.740 0.001 0.000 0.185 386 N C 1.474 177.029 175.510 0.076 0.000 1.016 386 N CA 1.268 54.354 53.050 0.060 0.000 0.863 386 N CB -0.389 38.144 38.487 0.076 0.000 0.983 386 N HN 0.441 nan 8.380 nan 0.000 0.429 387 Y N -0.526 119.773 120.300 -0.000 0.000 2.133 387 Y HA 0.092 4.643 4.550 0.001 0.000 0.287 387 Y C 0.938 176.832 175.900 -0.011 0.000 1.134 387 Y CA 1.155 59.251 58.100 -0.007 0.000 1.133 387 Y CB -0.086 38.368 38.460 -0.009 0.000 0.987 387 Y HN -0.049 nan 8.280 nan 0.000 0.502 388 G N -0.912 107.629 108.800 -0.433 0.000 2.523 388 G HA2 0.116 4.076 3.960 0.001 0.000 0.291 388 G HA3 0.116 4.076 3.960 0.001 0.000 0.291 388 G C -1.221 173.556 174.900 -0.205 0.000 1.450 388 G CA -0.094 44.718 45.100 -0.479 0.000 0.790 388 G HN 0.111 nan 8.290 nan 0.000 0.496 389 D N -0.225 120.088 120.400 -0.144 0.000 2.349 389 D HA -0.004 4.637 4.640 0.001 0.000 0.224 389 D C 0.906 177.186 176.300 -0.033 0.000 1.029 389 D CA 0.390 54.359 54.000 -0.052 0.000 0.879 389 D CB 0.800 41.588 40.800 -0.021 0.000 0.906 389 D HN 0.580 nan 8.370 nan 0.000 0.528 390 E N 1.117 121.274 120.200 -0.072 0.000 2.390 390 E HA 0.207 4.557 4.350 0.001 0.000 0.261 390 E C -0.418 176.147 176.600 -0.058 0.000 1.076 390 E CA -0.049 56.319 56.400 -0.053 0.000 0.905 390 E CB 0.843 30.517 29.700 -0.043 0.000 0.984 390 E HN -0.004 nan 8.360 nan 0.000 0.427 391 I N 1.543 121.984 120.570 -0.215 0.000 2.846 391 I HA 0.612 4.782 4.170 0.001 0.000 0.307 391 I C -0.613 175.161 176.117 -0.573 0.000 1.053 391 I CA -1.018 60.076 61.300 -0.344 0.000 1.050 391 I CB 2.087 39.856 38.000 -0.385 0.000 1.239 391 I HN 0.597 nan 8.210 nan 0.000 0.439 392 A N 5.482 128.043 122.820 -0.432 0.000 2.455 392 A HA 0.881 5.202 4.320 0.001 0.000 0.300 392 A C -0.992 176.369 177.584 -0.372 0.000 1.040 392 A CA -0.472 51.261 52.037 -0.507 0.000 0.697 392 A CB 1.501 20.271 19.000 -0.383 0.000 1.265 392 A HN 0.705 nan 8.150 nan 0.000 0.407 393 I N -1.330 119.016 120.570 -0.372 0.000 2.730 393 I HA 0.739 4.909 4.170 0.001 0.000 0.298 393 I C -0.544 175.409 176.117 -0.273 0.000 1.089 393 I CA -0.606 60.557 61.300 -0.228 0.000 1.041 393 I CB 2.272 40.232 38.000 -0.066 0.000 1.235 393 I HN 0.686 nan 8.210 nan 0.000 0.423 394 E N 6.052 126.045 120.200 -0.344 0.000 2.145 394 E HA 0.429 4.779 4.350 0.001 0.000 0.270 394 E C -1.337 175.118 176.600 -0.243 0.000 0.906 394 E CA -0.794 55.417 56.400 -0.315 0.000 0.761 394 E CB 1.650 31.104 29.700 -0.410 0.000 1.116 394 E HN 0.679 nan 8.360 nan 0.000 0.408 395 L N 6.021 127.210 121.223 -0.057 0.000 2.410 395 L HA 0.177 4.518 4.340 0.001 0.000 0.273 395 L C 2.067 178.960 176.870 0.039 0.000 1.144 395 L CA -0.107 54.762 54.840 0.049 0.000 0.863 395 L CB 0.626 42.802 42.059 0.195 0.000 1.140 395 L HN 0.654 nan 8.230 nan 0.000 0.463 396 R N 1.771 122.303 120.500 0.053 0.000 2.105 396 R HA -0.106 4.235 4.340 0.001 0.000 0.239 396 R C 0.639 176.981 176.300 0.070 0.000 1.135 396 R CA 1.213 57.353 56.100 0.067 0.000 0.967 396 R CB -0.027 30.317 30.300 0.074 0.000 0.861 396 R HN 0.476 nan 8.270 nan 0.000 0.442 397 S N -0.040 115.717 115.700 0.094 0.000 2.789 397 S HA 0.294 4.764 4.470 0.001 0.000 0.286 397 S C -0.870 173.813 174.600 0.138 0.000 1.153 397 S CA -0.829 57.428 58.200 0.095 0.000 1.084 397 S CB 1.932 65.183 63.200 0.085 0.000 1.036 397 S HN 0.303 nan 8.310 nan 0.000 0.484 398 S N 3.748 119.510 115.700 0.103 0.000 2.552 398 S HA 0.084 4.555 4.470 0.001 0.000 0.246 398 S C 1.375 176.001 174.600 0.043 0.000 1.019 398 S CA -0.209 58.051 58.200 0.099 0.000 1.045 398 S CB 0.697 63.938 63.200 0.068 0.000 0.784 398 S HN 0.647 nan 8.310 nan 0.000 0.453 399 V N 2.130 122.082 119.914 0.064 0.000 2.283 399 V HA 0.044 4.165 4.120 0.001 0.000 0.243 399 V C 1.701 177.786 176.094 -0.014 0.000 1.039 399 V CA 2.188 64.503 62.300 0.025 0.000 1.016 399 V CB -0.534 31.314 31.823 0.042 0.000 0.650 399 V HN 0.570 nan 8.190 nan 0.000 0.449 400 G N -0.603 108.219 108.800 0.036 0.000 3.523 400 G HA2 0.524 4.485 3.960 0.001 0.000 0.270 400 G HA3 0.524 4.485 3.960 0.001 0.000 0.270 400 G C 0.385 175.073 174.900 -0.354 0.000 1.134 400 G CA 0.439 45.514 45.100 -0.040 0.000 0.825 400 G HN 0.809 nan 8.290 nan 0.000 0.534 401 A N 1.214 123.743 122.820 -0.485 0.000 2.511 401 A HA 0.509 4.829 4.320 0.001 0.000 0.242 401 A C -2.073 174.855 177.584 -1.095 0.000 1.069 401 A CA -0.823 50.574 52.037 -1.066 0.000 0.763 401 A CB 0.319 18.896 19.000 -0.705 0.000 1.001 401 A HN 0.123 nan 8.150 nan 0.000 0.498 402 P HA 0.229 nan 4.420 nan 0.000 0.238 402 P C 0.597 177.150 177.300 -1.245 0.000 1.794 402 P CA -0.185 62.373 63.100 -0.904 0.000 1.088 402 P CB 0.302 31.624 31.700 -0.629 0.000 1.923 403 V N 2.090 121.224 119.914 -1.300 0.000 2.809 403 V HA -0.230 3.891 4.120 0.001 0.000 0.256 403 V C 2.222 177.909 176.094 -0.678 0.000 1.080 403 V CA 1.582 63.043 62.300 -1.398 0.000 1.102 403 V CB -1.155 30.204 31.823 -0.773 0.000 0.705 403 V HN 0.406 nan 8.190 nan 0.000 0.475 404 E N 1.904 121.822 120.200 -0.470 0.000 2.049 404 E HA -0.171 4.180 4.350 0.001 0.000 0.198 404 E C 1.204 177.720 176.600 -0.141 0.000 1.007 404 E CA 1.602 57.852 56.400 -0.249 0.000 0.809 404 E CB -0.681 28.884 29.700 -0.225 0.000 0.749 404 E HN 0.589 nan 8.360 nan 0.000 0.450 405 V N -2.253 117.567 119.914 -0.156 0.000 3.109 405 V HA 0.512 4.633 4.120 0.001 0.000 0.317 405 V C 0.347 176.661 176.094 0.365 0.000 1.074 405 V CA 0.014 62.321 62.300 0.012 0.000 1.033 405 V CB 1.711 33.379 31.823 -0.259 0.000 1.111 405 V HN 0.221 nan 8.190 nan 0.000 0.458 406 T N -0.406 114.447 114.554 0.498 0.000 4.645 406 T HA 0.291 4.641 4.350 0.001 0.000 0.311 406 T C -0.025 175.038 174.700 0.606 0.000 0.904 406 T CA 0.326 62.795 62.100 0.615 0.000 0.907 406 T CB -0.693 68.428 68.868 0.422 0.000 0.959 406 T HN 1.073 nan 8.240 nan 0.000 0.417 407 H N 0.828 120.208 119.070 0.516 0.000 2.602 407 H HA 0.515 5.071 4.556 0.001 0.000 0.222 407 H C 0.653 176.184 175.328 0.338 0.000 0.886 407 H CA 0.325 56.583 56.048 0.348 0.000 1.008 407 H CB 0.735 30.633 29.762 0.227 0.000 1.380 407 H HN 0.289 nan 8.280 nan 0.000 0.417 408 N N 0.719 119.650 118.700 0.386 0.000 3.114 408 N HA 0.189 4.930 4.740 0.001 0.000 0.289 408 N C -1.438 174.064 175.510 -0.013 0.000 1.519 408 N CA -0.199 52.928 53.050 0.128 0.000 1.026 408 N CB 0.582 39.071 38.487 0.002 0.000 1.306 408 N HN -0.002 nan 8.380 nan 0.000 0.495 409 F N 0.690 120.717 119.950 0.128 0.000 2.470 409 F HA 0.372 4.900 4.527 0.001 0.000 0.329 409 F C 0.571 176.354 175.800 -0.028 0.000 1.072 409 F CA -0.680 57.381 58.000 0.101 0.000 0.989 409 F CB 1.543 40.585 39.000 0.070 0.000 1.193 409 F HN 0.047 nan 8.300 nan 0.000 0.481 410 Q N 1.525 121.407 119.800 0.137 0.000 2.337 410 Q HA 0.661 5.001 4.340 0.001 0.000 0.266 410 Q C -1.761 174.200 176.000 -0.066 0.000 1.023 410 Q CA -0.776 55.034 55.803 0.012 0.000 0.829 410 Q CB 2.152 30.886 28.738 -0.008 0.000 1.306 410 Q HN 0.536 nan 8.270 nan 0.000 0.449 411 V N 3.266 123.084 119.914 -0.159 0.000 2.417 411 V HA 0.416 4.537 4.120 0.001 0.000 0.291 411 V C -0.961 174.993 176.094 -0.232 0.000 1.024 411 V CA -0.711 61.406 62.300 -0.304 0.000 0.861 411 V CB 1.744 33.287 31.823 -0.467 0.000 0.985 411 V HN 0.761 nan 8.190 nan 0.000 0.436 412 D N 3.140 123.388 120.400 -0.252 0.000 2.649 412 D HA 0.533 5.174 4.640 0.001 0.000 0.249 412 D C -0.843 175.346 176.300 -0.185 0.000 1.112 412 D CA -0.182 53.746 54.000 -0.119 0.000 0.850 412 D CB 1.713 42.495 40.800 -0.030 0.000 1.399 412 D HN 0.302 nan 8.370 nan 0.000 0.503 413 F N 1.174 121.165 119.950 0.070 0.000 2.421 413 F HA 0.242 4.770 4.527 0.001 0.000 0.358 413 F C 0.670 176.544 175.800 0.122 0.000 1.115 413 F CA -0.776 57.283 58.000 0.098 0.000 1.160 413 F CB 0.733 39.796 39.000 0.106 0.000 1.123 413 F HN -0.032 nan 8.300 nan 0.000 0.508 414 V N 3.991 124.044 119.914 0.231 0.000 2.470 414 V HA -0.095 4.025 4.120 0.001 0.000 0.276 414 V C -0.344 175.907 176.094 0.262 0.000 1.040 414 V CA -0.597 61.823 62.300 0.201 0.000 1.008 414 V CB 0.288 32.178 31.823 0.113 0.000 0.990 414 V HN 0.749 nan 8.190 nan 0.000 0.477 415 W N 7.161 128.525 121.300 0.108 0.000 2.338 415 W HA 0.458 5.118 4.660 0.001 0.000 0.307 415 W C -0.049 176.540 176.519 0.115 0.000 1.167 415 W CA -0.702 56.714 57.345 0.119 0.000 1.208 415 W CB 0.678 30.198 29.460 0.101 0.000 1.228 415 W HN 0.310 nan 8.180 nan 0.000 0.499 416 K N 3.461 123.447 120.400 -0.690 0.000 2.244 416 K HA 0.168 4.489 4.320 0.001 0.000 0.260 416 K C 0.747 176.670 176.600 -1.129 0.000 0.951 416 K CA -0.096 55.762 56.287 -0.715 0.000 0.826 416 K CB 2.010 34.319 32.500 -0.317 0.000 1.108 416 K HN 0.648 nan 8.250 nan 0.000 0.433 417 S N 0.641 115.757 115.700 -0.972 0.000 2.524 417 S HA -0.052 4.418 4.470 0.001 0.000 0.216 417 S C 1.409 175.914 174.600 -0.159 0.000 0.987 417 S CA 0.579 58.435 58.200 -0.573 0.000 0.909 417 S CB -0.012 62.985 63.200 -0.338 0.000 0.781 417 S HN 0.555 nan 8.310 nan 0.000 0.521 418 T N 3.645 118.065 114.554 -0.223 0.000 2.592 418 T HA -0.234 4.117 4.350 0.001 0.000 0.267 418 T C 2.284 176.892 174.700 -0.153 0.000 1.060 418 T CA 2.581 64.591 62.100 -0.149 0.000 1.167 418 T CB -0.980 67.795 68.868 -0.155 0.000 0.863 418 T HN 0.832 nan 8.240 nan 0.000 0.431 419 S N 1.295 116.825 115.700 -0.284 0.000 2.356 419 S HA -0.097 4.374 4.470 0.001 0.000 0.223 419 S C 1.880 176.304 174.600 -0.293 0.000 1.032 419 S CA 1.267 59.258 58.200 -0.348 0.000 1.005 419 S CB -1.129 61.755 63.200 -0.527 0.000 0.867 419 S HN 0.538 nan 8.310 nan 0.000 0.449 420 F N 2.752 122.702 119.950 -0.001 0.000 2.134 420 F HA -0.041 4.487 4.527 0.001 0.000 0.299 420 F C 2.584 178.412 175.800 0.047 0.000 1.097 420 F CA 1.173 59.206 58.000 0.055 0.000 1.264 420 F CB -0.651 38.429 39.000 0.132 0.000 1.001 420 F HN 0.141 nan 8.300 nan 0.000 0.479 421 D N 0.254 120.768 120.400 0.189 0.000 2.149 421 D HA -0.145 4.495 4.640 0.001 0.000 0.198 421 D C 2.273 178.618 176.300 0.075 0.000 0.990 421 D CA 1.153 55.225 54.000 0.120 0.000 0.839 421 D CB -0.385 40.459 40.800 0.072 0.000 0.948 421 D HN 0.303 nan 8.370 nan 0.000 0.460 422 R N -0.228 120.291 120.500 0.032 0.000 2.090 422 R HA 0.068 4.408 4.340 0.001 0.000 0.228 422 R C 2.545 178.860 176.300 0.025 0.000 1.110 422 R CA 0.724 56.832 56.100 0.013 0.000 0.973 422 R CB -0.102 30.183 30.300 -0.025 0.000 0.869 422 R HN 0.194 nan 8.270 nan 0.000 0.440 423 M N -0.052 119.568 119.600 0.033 0.000 2.117 423 M HA -0.198 4.283 4.480 0.001 0.000 0.262 423 M C 2.310 178.655 176.300 0.074 0.000 1.065 423 M CA 1.524 56.850 55.300 0.043 0.000 1.114 423 M CB -0.171 32.469 32.600 0.067 0.000 1.361 423 M HN 0.009 nan 8.290 nan 0.000 0.408 424 Q N 0.137 120.001 119.800 0.106 0.000 2.084 424 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 424 Q C 2.187 178.244 176.000 0.095 0.000 0.978 424 Q CA 2.235 58.106 55.803 0.112 0.000 0.844 424 Q CB -0.381 28.433 28.738 0.127 0.000 0.898 424 Q HN 0.444 nan 8.270 nan 0.000 0.426 425 S N -0.869 114.878 115.700 0.079 0.000 2.383 425 S HA -0.062 4.408 4.470 0.001 0.000 0.227 425 S C 1.939 176.580 174.600 0.068 0.000 1.026 425 S CA 1.117 59.358 58.200 0.069 0.000 0.981 425 S CB -0.397 62.835 63.200 0.053 0.000 0.818 425 S HN 0.466 nan 8.310 nan 0.000 0.472 426 A N 1.706 124.561 122.820 0.058 0.000 1.902 426 A HA 0.053 4.373 4.320 0.001 0.000 0.217 426 A C 2.251 179.896 177.584 0.102 0.000 1.181 426 A CA 1.564 53.633 52.037 0.054 0.000 0.623 426 A CB -0.888 18.121 19.000 0.014 0.000 0.818 426 A HN 0.592 nan 8.150 nan 0.000 0.443 427 L N -0.870 120.427 121.223 0.124 0.000 2.083 427 L HA -0.188 4.152 4.340 0.001 0.000 0.209 427 L C 2.601 179.590 176.870 0.198 0.000 1.083 427 L CA 1.877 56.844 54.840 0.211 0.000 0.752 427 L CB -0.402 41.766 42.059 0.182 0.000 0.899 427 L HN 0.458 nan 8.230 nan 0.000 0.433 428 K N -0.228 120.252 120.400 0.133 0.000 2.057 428 K HA -0.157 4.164 4.320 0.001 0.000 0.207 428 K C 2.019 178.663 176.600 0.073 0.000 1.049 428 K CA 1.758 58.105 56.287 0.100 0.000 0.931 428 K CB -0.036 32.519 32.500 0.092 0.000 0.714 428 K HN 0.130 nan 8.250 nan 0.000 0.440 429 T N 0.633 115.240 114.554 0.088 0.000 2.788 429 T HA -0.128 4.223 4.350 0.001 0.000 0.268 429 T C 1.261 176.021 174.700 0.101 0.000 1.044 429 T CA 1.107 63.252 62.100 0.075 0.000 1.139 429 T CB -0.302 68.609 68.868 0.072 0.000 0.867 429 T HN 0.248 nan 8.240 nan 0.000 0.454 430 F N 2.104 122.025 119.950 -0.050 0.000 2.234 430 F HA 0.160 4.688 4.527 0.001 0.000 0.299 430 F C 2.292 178.010 175.800 -0.136 0.000 1.087 430 F CA 0.512 58.462 58.000 -0.084 0.000 1.340 430 F CB -0.705 38.241 39.000 -0.091 0.000 1.031 430 F HN 0.137 nan 8.300 nan 0.000 0.500 431 A N -0.977 121.686 122.820 -0.263 0.000 1.975 431 A HA 0.085 4.406 4.320 0.001 0.000 0.215 431 A C 2.128 179.361 177.584 -0.586 0.000 1.170 431 A CA 1.581 53.230 52.037 -0.647 0.000 0.656 431 A CB -0.755 17.873 19.000 -0.620 0.000 0.821 431 A HN 0.215 nan 8.150 nan 0.000 0.449 432 V N -0.518 119.263 119.914 -0.221 0.000 3.048 432 V HA 0.073 4.193 4.120 0.001 0.000 0.241 432 V C 0.250 176.315 176.094 -0.049 0.000 1.129 432 V CA 0.562 62.825 62.300 -0.061 0.000 1.128 432 V CB 0.040 31.888 31.823 0.042 0.000 0.849 432 V HN 0.419 nan 8.190 nan 0.000 0.475 433 D N 1.232 121.604 120.400 -0.048 0.000 2.396 433 D HA 0.114 4.755 4.640 0.001 0.000 0.225 433 D C 1.159 177.423 176.300 -0.061 0.000 1.121 433 D CA -0.139 53.841 54.000 -0.033 0.000 0.853 433 D CB 1.629 42.428 40.800 -0.002 0.000 1.043 433 D HN 0.624 nan 8.370 nan 0.000 0.500 434 E N 0.810 120.960 120.200 -0.085 0.000 2.427 434 E HA -0.124 4.227 4.350 0.001 0.000 0.196 434 E C 1.076 177.628 176.600 -0.081 0.000 1.028 434 E CA 0.644 56.967 56.400 -0.128 0.000 0.864 434 E CB -0.106 29.511 29.700 -0.140 0.000 0.813 434 E HN 0.331 nan 8.360 nan 0.000 0.514 435 T N -1.339 113.189 114.554 -0.043 0.000 3.129 435 T HA 0.048 4.399 4.350 0.001 0.000 0.251 435 T C 1.820 176.520 174.700 -0.000 0.000 1.117 435 T CA 0.393 62.479 62.100 -0.023 0.000 1.034 435 T CB 0.184 69.038 68.868 -0.022 0.000 0.968 435 T HN 0.224 nan 8.240 nan 0.000 0.526 436 S N 1.303 117.013 115.700 0.017 0.000 2.406 436 S HA 0.136 4.606 4.470 0.001 0.000 0.228 436 S C 0.800 175.437 174.600 0.062 0.000 1.020 436 S CA 0.371 58.601 58.200 0.050 0.000 0.965 436 S CB -0.718 62.535 63.200 0.088 0.000 0.798 436 S HN 0.808 nan 8.310 nan 0.000 0.488 437 V N -1.125 118.837 119.914 0.080 0.000 3.130 437 V HA 0.705 4.826 4.120 0.001 0.000 0.310 437 V C 1.052 177.186 176.094 0.065 0.000 1.158 437 V CA -0.360 61.987 62.300 0.079 0.000 1.029 437 V CB 1.245 33.136 31.823 0.114 0.000 1.057 437 V HN 0.235 nan 8.190 nan 0.000 0.436 438 S N 0.089 115.836 115.700 0.079 0.000 2.447 438 S HA 0.296 4.766 4.470 0.001 0.000 0.233 438 S C 1.556 176.204 174.600 0.081 0.000 1.006 438 S CA 1.593 59.840 58.200 0.078 0.000 0.957 438 S CB -0.078 63.188 63.200 0.109 0.000 0.773 438 S HN 2.620 nan 8.310 nan 0.000 0.507 439 G N 0.621 109.478 108.800 0.096 0.000 2.792 439 G HA2 -0.347 3.613 3.960 0.001 0.000 0.201 439 G HA3 -0.347 3.613 3.960 0.001 0.000 0.201 439 G C 0.663 175.681 174.900 0.197 0.000 1.322 439 G CA 0.323 45.466 45.100 0.072 0.000 0.910 439 G HN 0.456 nan 8.290 nan 0.000 0.535 440 Y N 2.085 122.473 120.300 0.148 0.000 2.128 440 Y HA 0.090 4.641 4.550 0.001 0.000 0.284 440 Y C 2.798 178.780 175.900 0.137 0.000 1.154 440 Y CA 2.537 60.742 58.100 0.175 0.000 1.149 440 Y CB -0.357 38.167 38.460 0.106 0.000 0.976 440 Y HN 0.400 nan 8.280 nan 0.000 0.505 441 I N -0.707 119.933 120.570 0.117 0.000 2.286 441 I HA -0.337 3.834 4.170 0.001 0.000 0.248 441 I C 2.253 178.338 176.117 -0.053 0.000 1.115 441 I CA 1.756 63.047 61.300 -0.015 0.000 1.392 441 I CB -0.644 37.395 38.000 0.066 0.000 1.065 441 I HN 0.356 nan 8.210 nan 0.000 0.418 442 Y N 1.569 121.812 120.300 -0.095 0.000 2.097 442 Y HA -0.348 4.202 4.550 0.001 0.000 0.282 442 Y C 2.826 178.590 175.900 -0.227 0.000 1.152 442 Y CA 1.939 59.978 58.100 -0.101 0.000 1.136 442 Y CB -0.502 37.842 38.460 -0.193 0.000 0.975 442 Y HN 0.175 nan 8.280 nan 0.000 0.498 443 H N -0.100 118.894 119.070 -0.126 0.000 2.352 443 H HA -0.128 4.429 4.556 0.001 0.000 0.299 443 H C 2.156 177.243 175.328 -0.403 0.000 1.097 443 H CA 1.857 57.734 56.048 -0.285 0.000 1.311 443 H CB -0.171 29.601 29.762 0.016 0.000 1.377 443 H HN 0.221 nan 8.280 nan 0.000 0.504 444 K N 0.745 120.973 120.400 -0.287 0.000 2.097 444 K HA -0.003 4.317 4.320 0.001 0.000 0.205 444 K C 2.379 178.838 176.600 -0.235 0.000 1.050 444 K CA 0.432 56.532 56.287 -0.312 0.000 0.938 444 K CB -0.286 31.925 32.500 -0.481 0.000 0.718 444 K HN 0.161 nan 8.250 nan 0.000 0.442 445 L N -0.017 121.047 121.223 -0.265 0.000 2.217 445 L HA -0.033 4.307 4.340 0.001 0.000 0.211 445 L C 1.551 178.299 176.870 -0.204 0.000 1.107 445 L CA 0.662 55.359 54.840 -0.240 0.000 0.783 445 L CB -0.125 41.732 42.059 -0.337 0.000 0.919 445 L HN 0.116 nan 8.230 nan 0.000 0.442 446 L N -0.465 120.550 121.223 -0.347 0.000 2.591 446 L HA 0.186 4.526 4.340 0.001 0.000 0.228 446 L C 1.402 178.197 176.870 -0.125 0.000 1.133 446 L CA 0.462 55.125 54.840 -0.295 0.000 0.880 446 L CB -0.382 41.200 42.059 -0.795 0.000 1.033 446 L HN 0.463 nan 8.230 nan 0.000 0.450 447 G N -0.201 108.542 108.800 -0.095 0.000 2.148 447 G HA2 -0.282 3.678 3.960 0.001 0.000 0.254 447 G HA3 -0.282 3.678 3.960 0.001 0.000 0.254 447 G C 0.166 175.139 174.900 0.120 0.000 0.981 447 G CA -0.020 45.097 45.100 0.029 0.000 0.670 447 G HN 0.554 nan 8.290 nan 0.000 0.528 448 H N 0.346 119.417 119.070 0.003 0.000 2.771 448 H HA 0.350 4.906 4.556 0.001 0.000 0.364 448 H C -0.065 175.239 175.328 -0.040 0.000 1.133 448 H CA -0.393 55.652 56.048 -0.005 0.000 1.423 448 H CB 0.739 30.523 29.762 0.037 0.000 1.425 448 H HN 0.059 nan 8.280 nan 0.000 0.606 449 E N 2.808 123.053 120.200 0.076 0.000 2.044 449 E HA 0.147 4.498 4.350 0.001 0.000 0.282 449 E C -0.669 175.928 176.600 -0.005 0.000 1.031 449 E CA -0.384 56.031 56.400 0.024 0.000 0.824 449 E CB 0.871 30.578 29.700 0.013 0.000 1.076 449 E HN 0.366 nan 8.360 nan 0.000 0.395 450 V N 0.551 120.473 119.914 0.013 0.000 2.769 450 V HA 0.497 4.618 4.120 0.001 0.000 0.312 450 V C 0.283 176.449 176.094 0.120 0.000 1.061 450 V CA -1.315 61.009 62.300 0.040 0.000 0.931 450 V CB 2.038 33.895 31.823 0.057 0.000 1.010 450 V HN 0.287 nan 8.190 nan 0.000 0.433 451 E N 1.960 122.229 120.200 0.115 0.000 2.398 451 E HA 0.167 4.518 4.350 0.001 0.000 0.263 451 E C -0.207 176.488 176.600 0.159 0.000 1.046 451 E CA 0.077 56.540 56.400 0.105 0.000 0.908 451 E CB 0.378 30.115 29.700 0.060 0.000 0.963 451 E HN 0.801 nan 8.360 nan 0.000 0.431 452 D N 1.277 121.742 120.400 0.108 0.000 2.419 452 D HA 0.056 4.696 4.640 0.001 0.000 0.236 452 D C -0.606 175.654 176.300 -0.066 0.000 1.165 452 D CA 0.274 54.313 54.000 0.064 0.000 0.882 452 D CB 0.767 41.589 40.800 0.036 0.000 1.201 452 D HN 0.032 nan 8.370 nan 0.000 0.443 453 V N 2.654 122.421 119.914 -0.245 0.000 2.604 453 V HA 0.378 4.499 4.120 0.001 0.000 0.305 453 V C 0.314 176.287 176.094 -0.200 0.000 1.043 453 V CA -0.766 61.361 62.300 -0.288 0.000 0.888 453 V CB 1.880 33.375 31.823 -0.547 0.000 0.995 453 V HN 0.329 nan 8.190 nan 0.000 0.429 454 I N 5.214 125.709 120.570 -0.125 0.000 2.330 454 I HA 0.360 4.530 4.170 0.001 0.000 0.289 454 I C -0.303 175.766 176.117 -0.080 0.000 1.001 454 I CA -0.564 60.685 61.300 -0.085 0.000 1.193 454 I CB 1.374 39.344 38.000 -0.050 0.000 1.345 454 I HN 0.358 nan 8.210 nan 0.000 0.461 455 I N 6.761 127.287 120.570 -0.073 0.000 2.618 455 I HA 0.036 4.206 4.170 0.001 0.000 0.284 455 I C 0.786 176.883 176.117 -0.032 0.000 1.146 455 I CA 0.175 61.444 61.300 -0.051 0.000 1.425 455 I CB 0.169 38.146 38.000 -0.039 0.000 1.383 455 I HN 0.564 nan 8.210 nan 0.000 0.562 456 K N 5.218 125.602 120.400 -0.027 0.000 3.095 456 K HA 0.211 4.532 4.320 0.001 0.000 0.220 456 K C 0.126 176.716 176.600 -0.017 0.000 1.216 456 K CA -0.362 55.913 56.287 -0.020 0.000 1.167 456 K CB 0.183 32.671 32.500 -0.020 0.000 1.199 456 K HN 0.782 nan 8.250 nan 0.000 0.458 457 C N -0.794 118.497 119.300 -0.015 0.000 2.649 457 C HA 0.159 4.620 4.460 0.001 0.000 0.377 457 C C 0.834 175.812 174.990 -0.021 0.000 1.321 457 C CA -0.959 58.050 59.018 -0.016 0.000 2.368 457 C CB 0.181 27.915 27.740 -0.010 0.000 2.597 457 C HN 0.609 nan 8.230 nan 0.000 0.678 458 Q N 1.146 120.928 119.800 -0.031 0.000 2.324 458 Q HA 0.356 4.696 4.340 0.001 0.000 0.257 458 Q C -0.650 175.307 176.000 -0.072 0.000 1.080 458 Q CA -0.123 55.653 55.803 -0.045 0.000 0.907 458 Q CB 0.235 28.945 28.738 -0.046 0.000 1.274 458 Q HN 0.775 nan 8.270 nan 0.000 0.434 459 L N 6.404 127.581 121.223 -0.076 0.000 2.453 459 L HA 0.236 4.576 4.340 0.001 0.000 0.272 459 L C -1.808 174.896 176.870 -0.277 0.000 1.182 459 L CA -1.806 52.950 54.840 -0.141 0.000 0.858 459 L CB 0.233 42.272 42.059 -0.034 0.000 1.120 459 L HN 0.596 nan 8.230 nan 0.000 0.474 460 P HA 0.084 nan 4.420 nan 0.000 0.272 460 P C 0.120 177.100 177.300 -0.534 0.000 1.223 460 P CA -0.422 62.351 63.100 -0.545 0.000 0.784 460 P CB 0.855 32.065 31.700 -0.818 0.000 0.923 461 K N 1.657 121.890 120.400 -0.278 0.000 2.025 461 K HA -0.104 4.217 4.320 0.001 0.000 0.207 461 K C 0.892 177.390 176.600 -0.170 0.000 1.049 461 K CA 0.996 57.182 56.287 -0.169 0.000 0.933 461 K CB 0.123 32.576 32.500 -0.079 0.000 0.714 461 K HN 0.425 nan 8.250 nan 0.000 0.438 462 R N -0.746 119.654 120.500 -0.166 0.000 2.514 462 R HA 0.137 4.478 4.340 0.001 0.000 0.301 462 R C -0.285 175.936 176.300 -0.130 0.000 0.962 462 R CA -0.379 55.681 56.100 -0.067 0.000 0.882 462 R CB 0.719 31.024 30.300 0.009 0.000 1.143 462 R HN -0.018 nan 8.270 nan 0.000 0.452 463 F N 0.732 120.707 119.950 0.042 0.000 2.446 463 F HA 0.098 4.626 4.527 0.001 0.000 0.292 463 F C 0.965 176.907 175.800 0.236 0.000 1.096 463 F CA 0.301 58.346 58.000 0.075 0.000 1.438 463 F CB 0.365 39.372 39.000 0.012 0.000 1.107 463 F HN 0.484 nan 8.300 nan 0.000 0.546 464 T N 1.430 116.140 114.554 0.259 0.000 2.934 464 T HA 0.291 4.642 4.350 0.001 0.000 0.321 464 T C 0.138 174.859 174.700 0.035 0.000 1.080 464 T CA 0.192 62.360 62.100 0.113 0.000 1.132 464 T CB 0.508 69.399 68.868 0.039 0.000 1.039 464 T HN 0.200 nan 8.240 nan 0.000 0.543 465 A N 2.338 125.070 122.820 -0.148 0.000 2.356 465 A HA 0.625 4.945 4.320 0.001 0.000 0.323 465 A C -0.062 177.250 177.584 -0.454 0.000 1.119 465 A CA -0.823 50.913 52.037 -0.501 0.000 0.790 465 A CB 1.035 19.559 19.000 -0.794 0.000 1.273 465 A HN 0.685 nan 8.150 nan 0.000 0.452 466 Q N 0.344 119.803 119.800 -0.567 0.000 2.283 466 Q HA 0.373 4.714 4.340 0.001 0.000 0.301 466 Q C 1.243 177.069 176.000 -0.290 0.000 1.063 466 Q CA 2.267 57.875 55.803 -0.326 0.000 0.952 466 Q CB 0.157 28.753 28.738 -0.238 0.000 1.166 466 Q HN 2.107 nan 8.270 nan 0.000 0.381 467 G N 2.642 111.334 108.800 -0.180 0.000 2.199 467 G HA2 -0.251 3.710 3.960 0.001 0.000 0.254 467 G HA3 -0.251 3.710 3.960 0.001 0.000 0.254 467 G C -0.199 174.624 174.900 -0.128 0.000 0.982 467 G CA 0.259 45.275 45.100 -0.140 0.000 0.632 467 G HN 0.523 nan 8.290 nan 0.000 0.529 468 L N 0.612 121.744 121.223 -0.152 0.000 2.303 468 L HA 0.591 4.931 4.340 0.001 0.000 0.266 468 L C -1.884 174.919 176.870 -0.113 0.000 1.011 468 L CA -2.494 52.270 54.840 -0.127 0.000 0.818 468 L CB 1.611 43.585 42.059 -0.141 0.000 1.326 468 L HN -0.134 nan 8.230 nan 0.000 0.435 469 P HA 0.015 nan 4.420 nan 0.000 0.268 469 P C -1.212 176.035 177.300 -0.090 0.000 1.208 469 P CA -0.273 62.760 63.100 -0.112 0.000 0.777 469 P CB 0.323 31.925 31.700 -0.164 0.000 0.875 470 D N 1.888 122.246 120.400 -0.071 0.000 2.382 470 D HA 0.038 4.679 4.640 0.001 0.000 0.259 470 D C 0.215 176.494 176.300 -0.036 0.000 1.224 470 D CA 0.070 54.045 54.000 -0.042 0.000 0.894 470 D CB 0.341 41.122 40.800 -0.033 0.000 1.127 470 D HN 0.105 nan 8.370 nan 0.000 0.487 471 L N 3.470 124.686 121.223 -0.011 0.000 2.514 471 L HA -0.080 4.261 4.340 0.001 0.000 0.280 471 L C 1.003 177.865 176.870 -0.012 0.000 1.223 471 L CA 0.217 55.060 54.840 0.004 0.000 0.864 471 L CB -0.301 41.784 42.059 0.043 0.000 1.118 471 L HN 0.419 nan 8.230 nan 0.000 0.494 472 N N 1.116 119.831 118.700 0.025 0.000 2.434 472 N HA 0.106 4.847 4.740 0.001 0.000 0.266 472 N C 1.024 176.531 175.510 -0.005 0.000 1.223 472 N CA -0.256 52.800 53.050 0.009 0.000 0.972 472 N CB 0.213 38.777 38.487 0.129 0.000 1.207 472 N HN 0.423 nan 8.380 nan 0.000 0.525 473 H N -0.516 118.581 119.070 0.045 0.000 2.319 473 H HA -0.170 4.387 4.556 0.001 0.000 0.297 473 H C 1.891 177.247 175.328 0.047 0.000 1.097 473 H CA 2.385 58.450 56.048 0.028 0.000 1.285 473 H CB -0.407 29.356 29.762 0.002 0.000 1.368 473 H HN 0.779 nan 8.280 nan 0.000 0.495 474 S N 0.642 116.446 115.700 0.174 0.000 2.368 474 S HA -0.180 4.291 4.470 0.001 0.000 0.225 474 S C 2.027 176.719 174.600 0.154 0.000 1.030 474 S CA 1.180 59.471 58.200 0.151 0.000 0.999 474 S CB -0.311 62.952 63.200 0.104 0.000 0.844 474 S HN 0.472 nan 8.310 nan 0.000 0.459 475 Q N 0.605 120.470 119.800 0.108 0.000 2.079 475 Q HA 0.001 4.342 4.340 0.001 0.000 0.200 475 Q C 2.450 178.467 176.000 0.028 0.000 0.974 475 Q CA 1.515 57.361 55.803 0.073 0.000 0.840 475 Q CB -0.516 28.261 28.738 0.065 0.000 0.898 475 Q HN 0.482 nan 8.270 nan 0.000 0.430 476 V N 0.394 120.313 119.914 0.009 0.000 2.332 476 V HA -0.293 3.827 4.120 0.001 0.000 0.248 476 V C 1.979 177.958 176.094 -0.192 0.000 1.055 476 V CA 2.002 64.234 62.300 -0.113 0.000 1.038 476 V CB -0.658 31.116 31.823 -0.082 0.000 0.651 476 V HN 0.405 nan 8.190 nan 0.000 0.450 477 Y N 1.141 121.357 120.300 -0.140 0.000 2.242 477 Y HA -0.137 4.413 4.550 0.001 0.000 0.291 477 Y C 2.267 178.102 175.900 -0.107 0.000 1.137 477 Y CA 1.205 59.230 58.100 -0.126 0.000 1.181 477 Y CB -0.513 37.918 38.460 -0.048 0.000 0.989 477 Y HN 0.155 nan 8.280 nan 0.000 0.527 478 A N -0.509 122.224 122.820 -0.146 0.000 1.841 478 A HA -0.123 4.198 4.320 0.001 0.000 0.214 478 A C 2.331 179.816 177.584 -0.165 0.000 1.195 478 A CA 2.068 54.005 52.037 -0.165 0.000 0.611 478 A CB -1.335 17.660 19.000 -0.009 0.000 0.835 478 A HN 0.269 nan 8.150 nan 0.000 0.443 479 V N 0.650 120.505 119.914 -0.099 0.000 2.332 479 V HA -0.298 3.822 4.120 0.001 0.000 0.248 479 V C 2.568 178.616 176.094 -0.078 0.000 1.055 479 V CA 2.486 64.779 62.300 -0.013 0.000 1.038 479 V CB -0.759 31.137 31.823 0.123 0.000 0.651 479 V HN 0.705 nan 8.190 nan 0.000 0.450 480 K N -0.053 120.127 120.400 -0.366 0.000 2.057 480 K HA -0.188 4.133 4.320 0.001 0.000 0.207 480 K C 2.130 178.610 176.600 -0.200 0.000 1.049 480 K CA 2.041 58.078 56.287 -0.417 0.000 0.931 480 K CB -0.271 31.772 32.500 -0.762 0.000 0.714 480 K HN 0.542 nan 8.250 nan 0.000 0.440 481 T N 0.354 114.725 114.554 -0.305 0.000 2.857 481 T HA -0.069 4.282 4.350 0.001 0.000 0.266 481 T C 1.859 176.474 174.700 -0.143 0.000 1.048 481 T CA 1.066 63.005 62.100 -0.269 0.000 1.139 481 T CB -0.030 68.554 68.868 -0.474 0.000 0.874 481 T HN -0.009 nan 8.240 nan 0.000 0.455 482 V N 1.390 121.234 119.914 -0.116 0.000 2.453 482 V HA 0.001 4.122 4.120 0.001 0.000 0.247 482 V C 2.351 178.439 176.094 -0.009 0.000 1.048 482 V CA 1.183 63.453 62.300 -0.050 0.000 1.049 482 V CB -0.525 31.282 31.823 -0.027 0.000 0.672 482 V HN 0.441 nan 8.190 nan 0.000 0.457 483 L N -0.585 120.647 121.223 0.014 0.000 2.275 483 L HA -0.163 4.177 4.340 0.001 0.000 0.215 483 L C 2.293 179.170 176.870 0.013 0.000 1.119 483 L CA 1.305 56.168 54.840 0.038 0.000 0.790 483 L CB -0.338 41.769 42.059 0.080 0.000 0.919 483 L HN 0.404 nan 8.230 nan 0.000 0.443 484 Q N -0.755 119.040 119.800 -0.008 0.000 2.356 484 Q HA 0.151 4.491 4.340 0.001 0.000 0.205 484 Q C 0.174 176.151 176.000 -0.039 0.000 0.901 484 Q CA 0.072 55.863 55.803 -0.020 0.000 0.938 484 Q CB 0.693 29.419 28.738 -0.021 0.000 1.081 484 Q HN 0.376 nan 8.270 nan 0.000 0.517 485 R N 0.993 121.471 120.500 -0.037 0.000 2.562 485 R HA 0.207 4.548 4.340 0.001 0.000 0.298 485 R C -1.971 174.316 176.300 -0.023 0.000 0.961 485 R CA -1.955 54.120 56.100 -0.042 0.000 0.881 485 R CB 1.208 31.493 30.300 -0.025 0.000 1.159 485 R HN -0.141 nan 8.270 nan 0.000 0.450 486 P HA -0.097 nan 4.420 nan 0.000 0.225 486 P C -0.272 177.097 177.300 0.114 0.000 1.148 486 P CA 0.885 64.001 63.100 0.028 0.000 0.779 486 P CB 0.319 32.002 31.700 -0.029 0.000 0.780 487 L N -1.577 119.720 121.223 0.124 0.000 2.543 487 L HA 0.521 4.862 4.340 0.001 0.000 0.265 487 L C -1.498 175.392 176.870 0.033 0.000 0.945 487 L CA -0.261 54.633 54.840 0.089 0.000 0.869 487 L CB 2.132 44.267 42.059 0.126 0.000 1.294 487 L HN -0.357 nan 8.230 nan 0.000 0.405 488 S N 4.919 120.612 115.700 -0.011 0.000 2.537 488 S HA 0.758 5.229 4.470 0.001 0.000 0.270 488 S C -1.335 173.222 174.600 -0.072 0.000 1.142 488 S CA -0.754 57.423 58.200 -0.039 0.000 0.870 488 S CB 1.800 64.984 63.200 -0.027 0.000 1.112 488 S HN 0.608 nan 8.310 nan 0.000 0.466 489 L N 2.254 123.404 121.223 -0.121 0.000 2.329 489 L HA 0.647 4.987 4.340 0.001 0.000 0.279 489 L C -1.082 175.802 176.870 0.023 0.000 1.014 489 L CA -0.730 54.007 54.840 -0.172 0.000 0.814 489 L CB 1.280 42.968 42.059 -0.617 0.000 1.257 489 L HN 0.548 nan 8.230 nan 0.000 0.424 490 I N 2.656 123.344 120.570 0.197 0.000 2.382 490 I HA 0.244 4.414 4.170 0.001 0.000 0.286 490 I C -0.139 176.189 176.117 0.352 0.000 1.002 490 I CA -0.268 61.159 61.300 0.212 0.000 1.135 490 I CB 1.948 40.030 38.000 0.138 0.000 1.288 490 I HN 0.633 nan 8.210 nan 0.000 0.448 491 Q N 5.067 125.070 119.800 0.337 0.000 2.274 491 Q HA 0.538 4.879 4.340 0.001 0.000 0.256 491 Q C -0.265 175.827 176.000 0.153 0.000 0.927 491 Q CA -0.524 55.471 55.803 0.320 0.000 0.939 491 Q CB 1.574 30.545 28.738 0.389 0.000 1.201 491 Q HN 0.857 nan 8.270 nan 0.000 0.426 492 G N 5.156 114.002 108.800 0.077 0.000 3.114 492 G HA2 0.400 4.361 3.960 0.001 0.000 0.320 492 G HA3 0.400 4.361 3.960 0.001 0.000 0.320 492 G C -2.772 172.101 174.900 -0.046 0.000 1.453 492 G CA -1.209 43.900 45.100 0.015 0.000 1.084 492 G HN 0.495 nan 8.290 nan 0.000 0.516 493 P HA 0.078 nan 4.420 nan 0.000 0.271 493 P C -2.501 174.696 177.300 -0.171 0.000 1.233 493 P CA -0.838 62.076 63.100 -0.309 0.000 0.795 493 P CB 0.068 31.311 31.700 -0.760 0.000 0.936 494 P HA -0.023 nan 4.420 nan 0.000 0.256 494 P C 0.811 178.078 177.300 -0.054 0.000 1.173 494 P CA 1.865 64.925 63.100 -0.066 0.000 0.768 494 P CB -0.483 31.189 31.700 -0.045 0.000 0.758 495 G N 2.783 111.575 108.800 -0.013 0.000 2.160 495 G HA2 -0.278 3.683 3.960 0.001 0.000 0.251 495 G HA3 -0.278 3.683 3.960 0.001 0.000 0.251 495 G C 0.691 175.650 174.900 0.098 0.000 1.008 495 G CA 0.534 45.654 45.100 0.033 0.000 0.724 495 G HN 0.578 nan 8.290 nan 0.000 0.514 496 T N -2.381 112.206 114.554 0.057 0.000 3.107 496 T HA 0.467 4.818 4.350 0.001 0.000 0.249 496 T C 1.851 176.634 174.700 0.138 0.000 1.096 496 T CA 1.021 63.182 62.100 0.101 0.000 1.012 496 T CB 0.584 69.452 68.868 0.001 0.000 0.977 496 T HN 2.152 nan 8.240 nan 0.000 0.527 497 G N 1.809 110.657 108.800 0.079 0.000 2.255 497 G HA2 -0.230 3.731 3.960 0.001 0.000 0.239 497 G HA3 -0.230 3.731 3.960 0.001 0.000 0.239 497 G C 0.573 175.485 174.900 0.020 0.000 1.083 497 G CA 0.162 45.275 45.100 0.021 0.000 0.826 497 G HN 0.487 nan 8.290 nan 0.000 0.493 498 K N -0.767 119.644 120.400 0.018 0.000 2.026 498 K HA -0.079 4.241 4.320 0.001 0.000 0.208 498 K C 2.582 179.189 176.600 0.012 0.000 1.048 498 K CA 2.007 58.305 56.287 0.019 0.000 0.929 498 K CB -0.154 32.352 32.500 0.010 0.000 0.713 498 K HN 0.400 nan 8.250 nan 0.000 0.439 499 T N 0.669 115.223 114.554 -0.001 0.000 2.942 499 T HA -0.036 4.314 4.350 0.001 0.000 0.265 499 T C 1.999 176.691 174.700 -0.013 0.000 1.062 499 T CA 0.606 62.702 62.100 -0.007 0.000 1.139 499 T CB 0.003 68.864 68.868 -0.012 0.000 0.883 499 T HN -0.078 nan 8.240 nan 0.000 0.468 500 V N 1.913 121.811 119.914 -0.027 0.000 2.343 500 V HA -0.181 3.940 4.120 0.001 0.000 0.247 500 V C 2.777 178.860 176.094 -0.017 0.000 1.051 500 V CA 1.968 64.244 62.300 -0.041 0.000 1.036 500 V CB -1.009 30.766 31.823 -0.080 0.000 0.654 500 V HN 0.516 nan 8.190 nan 0.000 0.451 501 T N -0.614 113.942 114.554 0.004 0.000 2.770 501 T HA -0.142 4.209 4.350 0.001 0.000 0.263 501 T C 2.163 176.888 174.700 0.042 0.000 1.039 501 T CA 1.640 63.758 62.100 0.031 0.000 1.142 501 T CB -0.242 68.651 68.868 0.042 0.000 0.868 501 T HN 0.470 nan 8.240 nan 0.000 0.435 502 S N 1.672 117.391 115.700 0.032 0.000 2.359 502 S HA -0.169 4.302 4.470 0.001 0.000 0.223 502 S C 2.564 177.182 174.600 0.030 0.000 1.039 502 S CA 1.264 59.483 58.200 0.032 0.000 1.042 502 S CB -0.687 62.524 63.200 0.018 0.000 0.915 502 S HN 0.606 nan 8.310 nan 0.000 0.439 503 A N 0.922 123.751 122.820 0.015 0.000 1.933 503 A HA -0.116 4.204 4.320 0.001 0.000 0.218 503 A C 2.316 179.911 177.584 0.019 0.000 1.175 503 A CA 2.051 54.094 52.037 0.009 0.000 0.628 503 A CB -1.178 17.814 19.000 -0.012 0.000 0.814 503 A HN 0.513 nan 8.150 nan 0.000 0.444 504 T N 0.134 114.700 114.554 0.020 0.000 2.812 504 T HA -0.038 4.313 4.350 0.001 0.000 0.264 504 T C 1.790 176.560 174.700 0.117 0.000 1.042 504 T CA 1.391 63.508 62.100 0.028 0.000 1.140 504 T CB -0.365 68.543 68.868 0.068 0.000 0.870 504 T HN 0.419 nan 8.240 nan 0.000 0.445 505 I N 0.910 121.568 120.570 0.147 0.000 2.163 505 I HA -0.159 4.011 4.170 0.001 0.000 0.243 505 I C 2.455 178.652 176.117 0.132 0.000 1.085 505 I CA 0.948 62.355 61.300 0.180 0.000 1.347 505 I CB -0.430 37.640 38.000 0.116 0.000 1.044 505 I HN 0.068 nan 8.210 nan 0.000 0.408 506 V N 0.086 120.047 119.914 0.079 0.000 2.407 506 V HA -0.322 3.799 4.120 0.001 0.000 0.248 506 V C 2.253 178.371 176.094 0.039 0.000 1.055 506 V CA 1.916 64.245 62.300 0.048 0.000 1.049 506 V CB -0.816 31.025 31.823 0.029 0.000 0.662 506 V HN 0.437 nan 8.190 nan 0.000 0.455 507 Y N 0.876 121.112 120.300 -0.107 0.000 2.097 507 Y HA -0.295 4.256 4.550 0.001 0.000 0.282 507 Y C 2.747 178.545 175.900 -0.171 0.000 1.152 507 Y CA 2.237 60.224 58.100 -0.189 0.000 1.136 507 Y CB -0.452 37.808 38.460 -0.332 0.000 0.975 507 Y HN 0.372 nan 8.280 nan 0.000 0.498 508 H N -0.213 118.870 119.070 0.021 0.000 2.389 508 H HA -0.074 4.482 4.556 0.001 0.000 0.299 508 H C 2.383 177.651 175.328 -0.101 0.000 1.081 508 H CA 1.733 57.732 56.048 -0.082 0.000 1.345 508 H CB -0.442 29.351 29.762 0.052 0.000 1.393 508 H HN 0.401 nan 8.280 nan 0.000 0.520 509 L N 0.115 121.374 121.223 0.061 0.000 2.201 509 L HA -0.050 4.291 4.340 0.001 0.000 0.212 509 L C 2.667 179.520 176.870 -0.029 0.000 1.105 509 L CA 0.744 55.598 54.840 0.022 0.000 0.775 509 L CB -0.305 41.777 42.059 0.038 0.000 0.913 509 L HN 0.186 nan 8.230 nan 0.000 0.440 510 A N -0.513 122.259 122.820 -0.080 0.000 2.067 510 A HA -0.050 4.271 4.320 0.001 0.000 0.217 510 A C 2.066 179.560 177.584 -0.151 0.000 1.156 510 A CA 0.603 52.579 52.037 -0.103 0.000 0.683 510 A CB -0.198 18.735 19.000 -0.110 0.000 0.808 510 A HN 0.236 nan 8.150 nan 0.000 0.455 511 R N 0.419 120.784 120.500 -0.224 0.000 2.346 511 R HA 0.095 4.435 4.340 0.001 0.000 0.225 511 R C -0.352 175.879 176.300 -0.115 0.000 0.987 511 R CA 0.227 56.195 56.100 -0.221 0.000 1.106 511 R CB -0.042 30.054 30.300 -0.339 0.000 1.090 511 R HN 0.693 nan 8.270 nan 0.000 0.502 512 Q N -1.334 118.420 119.800 -0.078 0.000 2.297 512 Q HA 0.320 4.661 4.340 0.001 0.000 0.269 512 Q C 0.519 176.495 176.000 -0.039 0.000 1.051 512 Q CA -0.705 55.069 55.803 -0.048 0.000 0.869 512 Q CB 1.321 30.041 28.738 -0.031 0.000 1.346 512 Q HN 0.072 nan 8.270 nan 0.000 0.457 513 G N 1.488 110.270 108.800 -0.031 0.000 3.375 513 G HA2 0.027 3.988 3.960 0.001 0.000 0.247 513 G HA3 0.027 3.988 3.960 0.001 0.000 0.247 513 G C -0.115 174.772 174.900 -0.022 0.000 1.343 513 G CA -0.017 45.067 45.100 -0.027 0.000 1.368 513 G HN 0.303 nan 8.290 nan 0.000 0.549 514 N N -0.712 117.977 118.700 -0.019 0.000 2.577 514 N HA 0.491 5.232 4.740 0.001 0.000 0.285 514 N C 0.766 176.272 175.510 -0.007 0.000 1.309 514 N CA -0.243 52.800 53.050 -0.012 0.000 0.798 514 N CB 1.031 39.515 38.487 -0.005 0.000 1.463 514 N HN 0.097 nan 8.380 nan 0.000 0.518 515 G N 0.271 109.069 108.800 -0.003 0.000 2.590 515 G HA2 0.217 4.178 3.960 0.001 0.000 0.276 515 G HA3 0.217 4.178 3.960 0.001 0.000 0.276 515 G C -2.314 172.614 174.900 0.046 0.000 1.337 515 G CA -0.276 44.826 45.100 0.004 0.000 1.030 515 G HN 0.323 nan 8.290 nan 0.000 0.534 516 P HA 0.251 nan 4.420 nan 0.000 0.269 516 P C -0.351 177.079 177.300 0.217 0.000 1.209 516 P CA -0.424 62.762 63.100 0.143 0.000 0.776 516 P CB 0.928 32.747 31.700 0.198 0.000 0.876 517 V N 3.687 123.663 119.914 0.104 0.000 2.498 517 V HA 0.144 4.264 4.120 0.001 0.000 0.279 517 V C 0.420 176.471 176.094 -0.071 0.000 1.048 517 V CA -0.470 61.860 62.300 0.049 0.000 0.967 517 V CB 0.981 32.809 31.823 0.008 0.000 0.988 517 V HN 0.380 nan 8.190 nan 0.000 0.473 518 L N 6.734 127.827 121.223 -0.216 0.000 2.292 518 L HA 0.613 4.953 4.340 0.001 0.000 0.284 518 L C -0.388 176.335 176.870 -0.245 0.000 1.065 518 L CA 0.405 54.956 54.840 -0.482 0.000 0.806 518 L CB 1.432 42.959 42.059 -0.888 0.000 1.175 518 L HN 0.455 nan 8.230 nan 0.000 0.431 519 V N 4.871 124.659 119.914 -0.210 0.000 2.525 519 V HA 0.522 4.643 4.120 0.001 0.000 0.299 519 V C -0.485 175.535 176.094 -0.124 0.000 1.034 519 V CA -0.510 61.715 62.300 -0.125 0.000 0.863 519 V CB 1.358 33.131 31.823 -0.084 0.000 0.999 519 V HN 0.957 nan 8.190 nan 0.000 0.423 520 c N 2.955 121.495 118.600 -0.100 0.000 3.108 520 c HA 1.063 5.633 4.570 0.001 0.000 0.321 520 c C 0.256 174.309 174.090 -0.061 0.000 1.357 520 c CA -0.589 55.687 56.329 -0.089 0.000 1.562 520 c CB 1.817 44.266 42.510 -0.101 0.000 2.003 520 c HN 1.109 nan 8.230 nan 0.000 0.460 521 A N 0.515 123.301 122.820 -0.057 0.000 2.605 521 A HA 0.751 5.072 4.320 0.001 0.000 0.294 521 A C -2.704 174.852 177.584 -0.046 0.000 1.062 521 A CA -0.707 51.304 52.037 -0.044 0.000 0.682 521 A CB 0.436 19.413 19.000 -0.038 0.000 1.278 521 A HN 0.442 nan 8.150 nan 0.000 0.410 522 P HA -0.064 nan 4.420 nan 0.000 0.215 522 P C 0.722 177.997 177.300 -0.042 0.000 1.153 522 P CA 1.925 65.000 63.100 -0.041 0.000 0.853 522 P CB 0.080 31.761 31.700 -0.032 0.000 0.788 523 S N -1.856 113.822 115.700 -0.036 0.000 2.608 523 S HA 0.285 4.756 4.470 0.001 0.000 0.291 523 S C 0.810 175.388 174.600 -0.036 0.000 1.146 523 S CA -0.702 57.477 58.200 -0.034 0.000 1.043 523 S CB 0.881 64.065 63.200 -0.027 0.000 1.037 523 S HN -0.085 nan 8.310 nan 0.000 0.520 524 N N 0.715 119.393 118.700 -0.036 0.000 2.289 524 N HA -0.048 4.692 4.740 0.001 0.000 0.184 524 N C 1.354 176.846 175.510 -0.030 0.000 1.016 524 N CA 1.027 54.056 53.050 -0.035 0.000 0.872 524 N CB -0.237 38.230 38.487 -0.033 0.000 0.973 524 N HN 0.533 nan 8.380 nan 0.000 0.433 525 I N 0.958 121.512 120.570 -0.026 0.000 2.163 525 I HA -0.166 4.005 4.170 0.001 0.000 0.240 525 I C 2.379 178.483 176.117 -0.021 0.000 1.081 525 I CA 0.867 62.154 61.300 -0.021 0.000 1.353 525 I CB -1.215 36.773 38.000 -0.019 0.000 1.054 525 I HN 0.130 nan 8.210 nan 0.000 0.407 526 A N 0.401 123.207 122.820 -0.023 0.000 1.978 526 A HA -0.143 4.178 4.320 0.001 0.000 0.220 526 A C 2.460 180.027 177.584 -0.028 0.000 1.170 526 A CA 1.658 53.681 52.037 -0.023 0.000 0.636 526 A CB -0.826 18.159 19.000 -0.025 0.000 0.810 526 A HN 0.282 nan 8.150 nan 0.000 0.448 527 V N 0.341 120.235 119.914 -0.034 0.000 2.453 527 V HA -0.174 3.947 4.120 0.001 0.000 0.247 527 V C 2.049 178.118 176.094 -0.042 0.000 1.048 527 V CA 1.983 64.258 62.300 -0.042 0.000 1.049 527 V CB -0.693 31.100 31.823 -0.050 0.000 0.672 527 V HN 0.485 nan 8.190 nan 0.000 0.457 528 D N -0.064 120.314 120.400 -0.037 0.000 2.117 528 D HA -0.190 4.450 4.640 0.001 0.000 0.197 528 D C 2.303 178.589 176.300 -0.024 0.000 0.987 528 D CA 1.278 55.257 54.000 -0.035 0.000 0.829 528 D CB -0.172 40.613 40.800 -0.025 0.000 0.961 528 D HN 0.516 nan 8.370 nan 0.000 0.460 529 Q N -0.280 119.510 119.800 -0.018 0.000 2.079 529 Q HA -0.108 4.233 4.340 0.001 0.000 0.200 529 Q C 2.118 178.112 176.000 -0.011 0.000 0.974 529 Q CA 0.560 56.357 55.803 -0.010 0.000 0.840 529 Q CB -0.043 28.689 28.738 -0.010 0.000 0.898 529 Q HN 0.150 nan 8.270 nan 0.000 0.430 530 L N 0.290 121.502 121.223 -0.017 0.000 2.109 530 L HA -0.097 4.243 4.340 0.001 0.000 0.207 530 L C 2.045 178.906 176.870 -0.016 0.000 1.086 530 L CA 1.850 56.680 54.840 -0.017 0.000 0.760 530 L CB -0.778 41.268 42.059 -0.022 0.000 0.910 530 L HN 0.117 nan 8.230 nan 0.000 0.437 531 T N -0.664 113.873 114.554 -0.029 0.000 2.720 531 T HA -0.238 4.113 4.350 0.001 0.000 0.268 531 T C 1.752 176.447 174.700 -0.008 0.000 1.037 531 T CA 1.714 63.790 62.100 -0.041 0.000 1.144 531 T CB -0.095 68.725 68.868 -0.081 0.000 0.864 531 T HN 0.458 nan 8.240 nan 0.000 0.444 532 E N 0.621 120.825 120.200 0.007 0.000 2.072 532 E HA -0.148 4.203 4.350 0.001 0.000 0.191 532 E C 2.168 178.819 176.600 0.084 0.000 0.985 532 E CA 0.879 57.315 56.400 0.059 0.000 0.801 532 E CB 0.113 29.841 29.700 0.048 0.000 0.750 532 E HN 0.269 nan 8.360 nan 0.000 0.452 533 K N 0.388 120.809 120.400 0.036 0.000 2.097 533 K HA -0.100 4.220 4.320 0.001 0.000 0.205 533 K C 2.137 178.747 176.600 0.017 0.000 1.050 533 K CA 0.614 56.910 56.287 0.015 0.000 0.938 533 K CB -0.091 32.404 32.500 -0.008 0.000 0.718 533 K HN 0.269 nan 8.250 nan 0.000 0.442 534 I N 1.035 121.624 120.570 0.031 0.000 2.286 534 I HA -0.256 3.915 4.170 0.001 0.000 0.248 534 I C 2.496 178.654 176.117 0.068 0.000 1.115 534 I CA 1.395 62.719 61.300 0.040 0.000 1.392 534 I CB -1.302 36.716 38.000 0.029 0.000 1.065 534 I HN 0.322 nan 8.210 nan 0.000 0.418 535 H N 1.476 120.542 119.070 -0.007 0.000 2.423 535 H HA -0.134 4.423 4.556 0.001 0.000 0.297 535 H C 1.885 177.231 175.328 0.029 0.000 1.075 535 H CA 1.268 57.323 56.048 0.013 0.000 1.342 535 H CB 0.359 30.135 29.762 0.024 0.000 1.395 535 H HN 0.433 nan 8.280 nan 0.000 0.530 536 Q N -0.006 119.776 119.800 -0.030 0.000 2.364 536 Q HA -0.085 4.256 4.340 0.001 0.000 0.209 536 Q C 1.902 177.822 176.000 -0.133 0.000 0.977 536 Q CA 1.631 57.378 55.803 -0.094 0.000 0.885 536 Q CB 0.121 28.837 28.738 -0.037 0.000 0.941 536 Q HN 0.516 nan 8.270 nan 0.000 0.464 537 T N -4.129 110.357 114.554 -0.112 0.000 3.169 537 T HA 0.289 4.640 4.350 0.001 0.000 0.250 537 T C 1.307 175.992 174.700 -0.024 0.000 1.111 537 T CA 0.411 62.435 62.100 -0.127 0.000 1.010 537 T CB 0.530 69.321 68.868 -0.128 0.000 0.984 537 T HN 0.398 nan 8.240 nan 0.000 0.537 538 G N 1.034 109.789 108.800 -0.073 0.000 2.176 538 G HA2 -0.217 3.744 3.960 0.001 0.000 0.253 538 G HA3 -0.217 3.744 3.960 0.001 0.000 0.253 538 G C 0.004 174.906 174.900 0.002 0.000 0.979 538 G CA 0.144 45.217 45.100 -0.046 0.000 0.641 538 G HN 0.619 nan 8.290 nan 0.000 0.530 539 L N -0.166 121.078 121.223 0.036 0.000 2.472 539 L HA 0.426 4.767 4.340 0.001 0.000 0.260 539 L C 1.004 177.897 176.870 0.039 0.000 1.209 539 L CA -0.346 54.518 54.840 0.039 0.000 0.817 539 L CB 0.596 42.686 42.059 0.052 0.000 1.106 539 L HN 0.073 nan 8.230 nan 0.000 0.479 540 K N 1.068 121.487 120.400 0.030 0.000 2.263 540 K HA 0.390 4.711 4.320 0.001 0.000 0.282 540 K C -1.208 175.404 176.600 0.019 0.000 1.089 540 K CA -0.313 55.995 56.287 0.035 0.000 0.907 540 K CB 0.703 33.215 32.500 0.019 0.000 1.148 540 K HN 0.278 nan 8.250 nan 0.000 0.470 541 V N 4.018 123.942 119.914 0.017 0.000 2.581 541 V HA 0.442 4.563 4.120 0.001 0.000 0.303 541 V C -0.441 175.604 176.094 -0.081 0.000 1.041 541 V CA -1.040 61.244 62.300 -0.028 0.000 0.907 541 V CB 1.809 33.614 31.823 -0.029 0.000 0.994 541 V HN 0.358 nan 8.190 nan 0.000 0.442 542 V N 4.241 124.108 119.914 -0.079 0.000 2.444 542 V HA 0.513 4.633 4.120 0.001 0.000 0.294 542 V C 0.001 176.032 176.094 -0.106 0.000 1.022 542 V CA -0.753 61.489 62.300 -0.097 0.000 0.850 542 V CB 1.819 33.608 31.823 -0.057 0.000 0.992 542 V HN 0.749 nan 8.190 nan 0.000 0.426 543 R N 3.861 124.278 120.500 -0.138 0.000 2.198 543 R HA 0.402 4.742 4.340 0.001 0.000 0.339 543 R C -1.044 175.209 176.300 -0.079 0.000 1.020 543 R CA -0.765 55.264 56.100 -0.118 0.000 0.864 543 R CB 1.065 31.275 30.300 -0.150 0.000 1.105 543 R HN 0.587 nan 8.270 nan 0.000 0.463 544 L N 5.286 126.474 121.223 -0.057 0.000 2.260 544 L HA 0.282 4.622 4.340 0.001 0.000 0.289 544 L C -0.848 176.012 176.870 -0.017 0.000 1.057 544 L CA 0.006 54.829 54.840 -0.028 0.000 0.811 544 L CB 0.652 42.692 42.059 -0.031 0.000 1.184 544 L HN 0.590 nan 8.230 nan 0.000 0.429 545 C N 4.220 123.533 119.300 0.022 0.000 2.376 545 C HA 0.796 5.256 4.460 0.001 0.000 0.335 545 C C 0.736 175.722 174.990 -0.006 0.000 1.229 545 C CA -1.053 57.978 59.018 0.021 0.000 1.867 545 C CB 0.893 28.688 27.740 0.091 0.000 2.319 545 C HN 0.967 nan 8.230 nan 0.000 0.515 546 A N 2.950 125.748 122.820 -0.037 0.000 2.462 546 A HA 0.256 4.576 4.320 0.001 0.000 0.243 546 A C 1.173 178.712 177.584 -0.075 0.000 1.076 546 A CA 0.023 52.027 52.037 -0.054 0.000 0.773 546 A CB 0.260 19.220 19.000 -0.066 0.000 1.010 546 A HN 0.983 nan 8.150 nan 0.000 0.493 547 K N 1.379 121.735 120.400 -0.072 0.000 2.089 547 K HA -0.206 4.115 4.320 0.001 0.000 0.210 547 K C 2.355 178.882 176.600 -0.121 0.000 1.048 547 K CA 2.318 58.552 56.287 -0.088 0.000 0.926 547 K CB -0.339 32.127 32.500 -0.056 0.000 0.714 547 K HN 0.871 nan 8.250 nan 0.000 0.448 548 S N 0.327 115.960 115.700 -0.111 0.000 2.371 548 S HA -0.073 4.397 4.470 0.001 0.000 0.224 548 S C 1.863 176.337 174.600 -0.209 0.000 1.029 548 S CA 0.534 58.647 58.200 -0.146 0.000 0.978 548 S CB -0.120 63.015 63.200 -0.107 0.000 0.833 548 S HN 0.112 nan 8.310 nan 0.000 0.466 549 R N 1.332 121.738 120.500 -0.157 0.000 2.316 549 R HA 0.169 4.509 4.340 0.001 0.000 0.202 549 R C 1.999 178.215 176.300 -0.141 0.000 1.029 549 R CA 0.589 56.605 56.100 -0.141 0.000 1.018 549 R CB -0.469 29.779 30.300 -0.085 0.000 0.888 549 R HN 0.686 nan 8.270 nan 0.000 0.471 550 E N 1.113 121.188 120.200 -0.208 0.000 2.070 550 E HA -0.137 4.213 4.350 0.001 0.000 0.197 550 E C 0.439 176.867 176.600 -0.286 0.000 1.004 550 E CA 1.154 57.318 56.400 -0.394 0.000 0.805 550 E CB -0.099 29.189 29.700 -0.687 0.000 0.744 550 E HN 0.200 nan 8.360 nan 0.000 0.451 551 A N 1.860 124.547 122.820 -0.222 0.000 2.489 551 A HA 0.251 4.571 4.320 0.001 0.000 0.289 551 A C -0.033 177.510 177.584 -0.069 0.000 1.216 551 A CA 0.461 52.433 52.037 -0.108 0.000 0.883 551 A CB -0.155 18.782 19.000 -0.105 0.000 1.110 551 A HN 0.195 nan 8.150 nan 0.000 0.523 552 I N 1.380 121.952 120.570 0.004 0.000 2.624 552 I HA 0.146 4.317 4.170 0.001 0.000 0.296 552 I C -1.999 174.146 176.117 0.046 0.000 1.792 552 I CA -0.538 60.772 61.300 0.016 0.000 0.970 552 I CB 2.156 40.152 38.000 -0.007 0.000 1.502 552 I HN 0.600 nan 8.210 nan 0.000 0.549 553 D N 3.756 124.177 120.400 0.035 0.000 2.375 553 D HA 0.715 5.356 4.640 0.001 0.000 0.247 553 D C -0.672 175.645 176.300 0.028 0.000 1.061 553 D CA 0.217 54.239 54.000 0.037 0.000 0.834 553 D CB 2.179 42.998 40.800 0.033 0.000 1.247 553 D HN 0.586 nan 8.370 nan 0.000 0.489 554 S N 1.438 117.158 115.700 0.032 0.000 2.720 554 S HA 0.556 5.026 4.470 0.001 0.000 0.287 554 S C -2.227 172.399 174.600 0.044 0.000 1.168 554 S CA -0.968 57.248 58.200 0.026 0.000 0.832 554 S CB 1.786 64.993 63.200 0.013 0.000 1.166 554 S HN 0.104 nan 8.310 nan 0.000 0.493 555 P HA 0.017 nan 4.420 nan 0.000 0.219 555 P C 0.782 178.171 177.300 0.149 0.000 1.146 555 P CA 0.925 64.068 63.100 0.072 0.000 0.808 555 P CB -0.182 31.549 31.700 0.052 0.000 0.779 556 V N -3.586 116.375 119.914 0.079 0.000 2.843 556 V HA 0.272 4.393 4.120 0.001 0.000 0.366 556 V C 1.462 177.503 176.094 -0.088 0.000 1.283 556 V CA 0.227 62.513 62.300 -0.023 0.000 1.303 556 V CB -0.497 31.233 31.823 -0.154 0.000 1.418 556 V HN 0.027 nan 8.190 nan 0.000 0.598 557 S N 1.382 117.124 115.700 0.069 0.000 2.387 557 S HA -0.178 4.292 4.470 0.001 0.000 0.226 557 S C 1.719 176.310 174.600 -0.015 0.000 1.026 557 S CA 1.389 59.602 58.200 0.022 0.000 0.972 557 S CB -0.990 62.252 63.200 0.069 0.000 0.814 557 S HN 0.951 nan 8.310 nan 0.000 0.477 558 F N 1.031 120.906 119.950 -0.125 0.000 2.307 558 F HA 0.147 4.675 4.527 0.001 0.000 0.301 558 F C 1.669 177.376 175.800 -0.157 0.000 1.076 558 F CA 0.242 58.162 58.000 -0.133 0.000 1.383 558 F CB -0.418 38.513 39.000 -0.115 0.000 1.055 558 F HN 0.106 nan 8.300 nan 0.000 0.526 559 L N 1.216 121.939 121.223 -0.833 0.000 2.341 559 L HA 0.337 4.678 4.340 0.001 0.000 0.214 559 L C 1.708 178.353 176.870 -0.375 0.000 1.115 559 L CA 0.070 54.486 54.840 -0.706 0.000 0.820 559 L CB -1.624 39.967 42.059 -0.780 0.000 0.944 559 L HN 0.257 nan 8.230 nan 0.000 0.452 560 A N -0.339 122.283 122.820 -0.330 0.000 2.561 560 A HA -0.028 4.293 4.320 0.001 0.000 0.234 560 A C 1.484 178.891 177.584 -0.294 0.000 1.055 560 A CA 0.111 51.965 52.037 -0.305 0.000 0.756 560 A CB -0.026 18.697 19.000 -0.461 0.000 0.986 560 A HN 0.280 nan 8.150 nan 0.000 0.505 561 L N 2.734 123.857 121.223 -0.167 0.000 2.017 561 L HA -0.202 4.139 4.340 0.001 0.000 0.208 561 L C 2.614 179.433 176.870 -0.085 0.000 1.073 561 L CA 2.845 57.629 54.840 -0.094 0.000 0.745 561 L CB -0.756 41.289 42.059 -0.023 0.000 0.894 561 L HN 0.942 nan 8.230 nan 0.000 0.432 562 H N -1.943 117.110 119.070 -0.028 0.000 2.456 562 H HA -0.075 4.481 4.556 0.001 0.000 0.296 562 H C 1.325 176.653 175.328 0.000 0.000 1.079 562 H CA 1.383 57.424 56.048 -0.011 0.000 1.322 562 H CB -0.392 29.367 29.762 -0.005 0.000 1.388 562 H HN 0.419 nan 8.280 nan 0.000 0.538 563 N N 0.949 119.387 118.700 -0.437 0.000 2.336 563 N HA -0.070 4.671 4.740 0.001 0.000 0.177 563 N C 2.086 177.540 175.510 -0.093 0.000 1.018 563 N CA 0.578 53.500 53.050 -0.213 0.000 0.878 563 N CB -0.118 38.209 38.487 -0.266 0.000 0.997 563 N HN 0.522 nan 8.380 nan 0.000 0.433 564 Q N 0.483 120.215 119.800 -0.112 0.000 2.181 564 Q HA -0.018 4.322 4.340 0.001 0.000 0.205 564 Q C 1.929 177.913 176.000 -0.027 0.000 0.980 564 Q CA 0.803 56.572 55.803 -0.056 0.000 0.862 564 Q CB -0.011 28.684 28.738 -0.072 0.000 0.905 564 Q HN 0.416 nan 8.270 nan 0.000 0.429 565 I N 0.300 120.855 120.570 -0.024 0.000 2.252 565 I HA -0.236 3.935 4.170 0.001 0.000 0.245 565 I C 1.792 177.919 176.117 0.016 0.000 1.102 565 I CA 1.011 62.308 61.300 -0.004 0.000 1.385 565 I CB -0.119 37.882 38.000 0.002 0.000 1.064 565 I HN 0.095 nan 8.210 nan 0.000 0.414 566 R N 1.154 121.672 120.500 0.030 0.000 2.346 566 R HA 0.011 4.352 4.340 0.001 0.000 0.199 566 R C -0.005 176.315 176.300 0.033 0.000 1.015 566 R CA 0.398 56.525 56.100 0.046 0.000 1.058 566 R CB -0.265 30.072 30.300 0.061 0.000 0.921 566 R HN 0.356 nan 8.270 nan 0.000 0.475 567 N N 0.332 119.045 118.700 0.021 0.000 2.646 567 N HA 0.175 4.916 4.740 0.001 0.000 0.296 567 N C -1.044 174.476 175.510 0.017 0.000 1.886 567 N CA -0.010 53.053 53.050 0.021 0.000 0.855 567 N CB 1.010 39.512 38.487 0.024 0.000 1.336 567 N HN 0.035 nan 8.380 nan 0.000 0.496 568 M N 0.044 119.653 119.600 0.015 0.000 2.311 568 M HA 0.180 4.661 4.480 0.001 0.000 0.325 568 M C 0.682 176.989 176.300 0.012 0.000 1.061 568 M CA -0.411 54.895 55.300 0.011 0.000 0.957 568 M CB 2.506 35.108 32.600 0.005 0.000 1.646 568 M HN -0.018 nan 8.290 nan 0.000 0.434 569 D N 0.351 120.757 120.400 0.011 0.000 2.249 569 D HA -0.070 4.570 4.640 0.001 0.000 0.205 569 D C 1.679 177.984 176.300 0.007 0.000 0.962 569 D CA 0.892 54.898 54.000 0.010 0.000 0.860 569 D CB 0.559 41.365 40.800 0.009 0.000 0.955 569 D HN 0.555 nan 8.370 nan 0.000 0.505 570 S N -0.857 114.846 115.700 0.005 0.000 2.595 570 S HA 0.031 4.501 4.470 0.001 0.000 0.235 570 S C 0.288 174.889 174.600 0.001 0.000 0.974 570 S CA 0.303 58.504 58.200 0.002 0.000 0.942 570 S CB -0.151 63.049 63.200 -0.001 0.000 0.766 570 S HN 0.145 nan 8.310 nan 0.000 0.536 571 M N 1.303 120.905 119.600 0.004 0.000 2.073 571 M HA 0.331 4.811 4.480 0.001 0.000 0.218 571 M C -2.659 173.649 176.300 0.012 0.000 0.949 571 M CA -1.825 53.478 55.300 0.004 0.000 0.722 571 M CB 1.237 33.835 32.600 -0.002 0.000 1.762 571 M HN -0.107 nan 8.290 nan 0.000 0.348 572 P HA -0.041 nan 4.420 nan 0.000 0.215 572 P C 1.281 178.596 177.300 0.025 0.000 1.157 572 P CA 1.105 64.216 63.100 0.018 0.000 0.856 572 P CB 0.452 32.161 31.700 0.015 0.000 0.786 573 E N -0.666 119.548 120.200 0.023 0.000 2.160 573 E HA -0.200 4.151 4.350 0.001 0.000 0.195 573 E C 1.767 178.396 176.600 0.047 0.000 0.991 573 E CA 0.741 57.160 56.400 0.031 0.000 0.810 573 E CB -0.382 29.332 29.700 0.024 0.000 0.742 573 E HN 0.007 nan 8.360 nan 0.000 0.466 574 L N 0.869 122.115 121.223 0.038 0.000 2.095 574 L HA -0.132 4.208 4.340 0.001 0.000 0.204 574 L C 2.158 179.079 176.870 0.085 0.000 1.080 574 L CA 1.553 56.424 54.840 0.052 0.000 0.759 574 L CB -0.372 41.688 42.059 0.003 0.000 0.914 574 L HN 0.078 nan 8.230 nan 0.000 0.439 575 Q N 0.377 120.213 119.800 0.059 0.000 2.096 575 Q HA -0.262 4.078 4.340 0.001 0.000 0.204 575 Q C 2.054 178.093 176.000 0.066 0.000 0.982 575 Q CA 2.302 58.142 55.803 0.060 0.000 0.850 575 Q CB -0.170 28.592 28.738 0.040 0.000 0.901 575 Q HN 0.723 nan 8.270 nan 0.000 0.422 576 K N 0.088 120.523 120.400 0.058 0.000 2.103 576 K HA -0.042 4.279 4.320 0.001 0.000 0.204 576 K C 2.130 178.764 176.600 0.056 0.000 1.052 576 K CA 0.858 57.174 56.287 0.048 0.000 0.945 576 K CB -0.394 32.128 32.500 0.036 0.000 0.722 576 K HN 0.050 nan 8.250 nan 0.000 0.443 577 L N 0.924 122.201 121.223 0.089 0.000 2.141 577 L HA -0.125 4.215 4.340 0.001 0.000 0.209 577 L C 2.880 179.791 176.870 0.068 0.000 1.094 577 L CA 1.176 56.076 54.840 0.099 0.000 0.763 577 L CB -0.316 41.862 42.059 0.198 0.000 0.908 577 L HN 0.314 nan 8.230 nan 0.000 0.437 578 Q N 0.185 120.077 119.800 0.154 0.000 2.119 578 Q HA -0.208 4.132 4.340 0.001 0.000 0.201 578 Q C 1.824 177.847 176.000 0.039 0.000 0.972 578 Q CA 1.294 57.171 55.803 0.123 0.000 0.847 578 Q CB 0.055 28.923 28.738 0.217 0.000 0.903 578 Q HN 0.330 nan 8.270 nan 0.000 0.433 579 Q N -0.321 119.506 119.800 0.044 0.000 2.294 579 Q HA 0.049 4.390 4.340 0.001 0.000 0.256 579 Q C 0.114 176.119 176.000 0.008 0.000 0.907 579 Q CA -0.136 55.681 55.803 0.024 0.000 0.954 579 Q CB 0.215 28.971 28.738 0.029 0.000 1.102 579 Q HN 0.341 nan 8.270 nan 0.000 0.429 580 L N -0.643 120.574 121.223 -0.011 0.000 2.885 580 L HA 0.221 4.562 4.340 0.001 0.000 0.251 580 L C 0.177 177.022 176.870 -0.042 0.000 1.071 580 L CA 0.739 55.566 54.840 -0.021 0.000 0.956 580 L CB 0.480 42.528 42.059 -0.019 0.000 1.483 580 L HN 0.079 nan 8.230 nan 0.000 0.525 581 K N 1.943 122.300 120.400 -0.071 0.000 3.226 581 K HA 0.127 4.448 4.320 0.001 0.000 0.268 581 K C -0.790 175.782 176.600 -0.046 0.000 1.217 581 K CA -0.078 56.162 56.287 -0.079 0.000 1.242 581 K CB -0.003 32.412 32.500 -0.142 0.000 1.389 581 K HN 0.322 nan 8.250 nan 0.000 0.406 588 S N 1.290 116.973 115.700 -0.029 0.000 2.547 588 S HA 0.301 4.772 4.470 0.001 0.000 0.281 588 S C 0.285 174.884 174.600 -0.001 0.000 1.118 588 S CA -0.050 58.144 58.200 -0.011 0.000 0.947 588 S CB 1.795 64.992 63.200 -0.005 0.000 1.053 588 S HN 0.670 nan 8.310 nan 0.000 0.482 589 S N 2.051 117.754 115.700 0.004 0.000 2.383 589 S HA -0.161 4.310 4.470 0.001 0.000 0.229 589 S C 1.918 176.529 174.600 0.019 0.000 1.030 589 S CA 1.613 59.819 58.200 0.011 0.000 1.002 589 S CB -0.383 62.823 63.200 0.010 0.000 0.829 589 S HN 0.844 nan 8.310 nan 0.000 0.467 590 A N 1.103 123.933 122.820 0.018 0.000 1.898 590 A HA -0.014 4.307 4.320 0.001 0.000 0.214 590 A C 1.842 179.446 177.584 0.033 0.000 1.183 590 A CA 1.458 53.508 52.037 0.023 0.000 0.622 590 A CB -0.633 18.378 19.000 0.019 0.000 0.824 590 A HN 0.492 nan 8.150 nan 0.000 0.444 591 D N -0.245 120.174 120.400 0.031 0.000 2.264 591 D HA -0.104 4.536 4.640 0.001 0.000 0.208 591 D C 1.747 178.094 176.300 0.077 0.000 0.966 591 D CA 0.707 54.734 54.000 0.046 0.000 0.864 591 D CB -0.132 40.683 40.800 0.025 0.000 0.933 591 D HN 0.407 nan 8.370 nan 0.000 0.499 592 E N 0.831 121.066 120.200 0.059 0.000 2.107 592 E HA -0.093 4.258 4.350 0.001 0.000 0.191 592 E C 1.841 178.519 176.600 0.129 0.000 0.982 592 E CA 0.589 57.043 56.400 0.090 0.000 0.809 592 E CB 0.168 29.895 29.700 0.045 0.000 0.756 592 E HN 0.331 nan 8.360 nan 0.000 0.459 593 K N 0.170 120.619 120.400 0.082 0.000 2.148 593 K HA -0.055 4.266 4.320 0.001 0.000 0.204 593 K C 2.125 178.765 176.600 0.065 0.000 1.050 593 K CA 0.402 56.728 56.287 0.065 0.000 0.942 593 K CB 0.061 32.586 32.500 0.042 0.000 0.724 593 K HN -0.118 nan 8.250 nan 0.000 0.446 594 R N 0.236 120.783 120.500 0.078 0.000 2.153 594 R HA -0.069 4.272 4.340 0.001 0.000 0.218 594 R C 1.995 178.347 176.300 0.088 0.000 1.072 594 R CA 0.926 57.067 56.100 0.068 0.000 0.990 594 R CB -0.339 29.999 30.300 0.065 0.000 0.889 594 R HN 0.301 nan 8.270 nan 0.000 0.452 595 Y N 0.765 121.070 120.300 0.008 0.000 2.220 595 Y HA -0.123 4.427 4.550 0.001 0.000 0.291 595 Y C 2.101 178.007 175.900 0.010 0.000 1.129 595 Y CA 1.572 59.678 58.100 0.010 0.000 1.161 595 Y CB 0.019 38.485 38.460 0.010 0.000 0.997 595 Y HN -0.151 nan 8.280 nan 0.000 0.522 596 R N 0.012 120.498 120.500 -0.023 0.000 2.153 596 R HA 0.059 4.399 4.340 0.001 0.000 0.218 596 R C 2.429 178.668 176.300 -0.100 0.000 1.072 596 R CA 0.996 57.033 56.100 -0.105 0.000 0.990 596 R CB -0.490 29.828 30.300 0.030 0.000 0.889 596 R HN 0.435 nan 8.270 nan 0.000 0.452 597 A N 0.262 123.051 122.820 -0.052 0.000 1.969 597 A HA -0.069 4.252 4.320 0.001 0.000 0.218 597 A C 1.962 179.506 177.584 -0.067 0.000 1.169 597 A CA 1.034 53.046 52.037 -0.042 0.000 0.635 597 A CB -0.313 18.678 19.000 -0.014 0.000 0.810 597 A HN 0.214 nan 8.150 nan 0.000 0.445 598 L N -1.169 119.997 121.223 -0.094 0.000 2.127 598 L HA -0.070 4.270 4.340 0.001 0.000 0.203 598 L C 2.514 179.298 176.870 -0.143 0.000 1.080 598 L CA 1.483 56.265 54.840 -0.096 0.000 0.768 598 L CB -0.269 41.746 42.059 -0.074 0.000 0.924 598 L HN 0.372 nan 8.230 nan 0.000 0.444 599 K N 0.581 120.826 120.400 -0.259 0.000 2.032 599 K HA -0.252 4.068 4.320 0.001 0.000 0.209 599 K C 2.251 178.765 176.600 -0.144 0.000 1.048 599 K CA 1.460 57.588 56.287 -0.265 0.000 0.927 599 K CB -0.115 32.117 32.500 -0.447 0.000 0.712 599 K HN -0.127 nan 8.250 nan 0.000 0.441 600 R N 0.215 120.643 120.500 -0.121 0.000 2.081 600 R HA -0.042 4.298 4.340 0.001 0.000 0.235 600 R C 1.997 178.264 176.300 -0.054 0.000 1.131 600 R CA 2.237 58.295 56.100 -0.071 0.000 0.960 600 R CB -1.069 29.199 30.300 -0.054 0.000 0.856 600 R HN 0.338 nan 8.270 nan 0.000 0.436 601 T N 0.252 114.772 114.554 -0.056 0.000 2.708 601 T HA -0.092 4.259 4.350 0.001 0.000 0.266 601 T C 1.686 176.363 174.700 -0.039 0.000 1.037 601 T CA 1.564 63.639 62.100 -0.041 0.000 1.146 601 T CB -0.452 68.394 68.868 -0.037 0.000 0.865 601 T HN 0.431 nan 8.240 nan 0.000 0.435 602 A N 1.553 124.344 122.820 -0.050 0.000 1.845 602 A HA -0.154 4.167 4.320 0.001 0.000 0.215 602 A C 2.136 179.700 177.584 -0.034 0.000 1.195 602 A CA 1.883 53.895 52.037 -0.041 0.000 0.616 602 A CB -0.742 18.227 19.000 -0.052 0.000 0.832 602 A HN 0.579 nan 8.150 nan 0.000 0.443 603 E N -0.910 119.267 120.200 -0.038 0.000 2.086 603 E HA -0.255 4.096 4.350 0.001 0.000 0.200 603 E C 2.351 178.940 176.600 -0.018 0.000 1.012 603 E CA 1.287 57.671 56.400 -0.025 0.000 0.812 603 E CB -0.195 29.490 29.700 -0.026 0.000 0.743 603 E HN 0.268 nan 8.360 nan 0.000 0.453 604 R N 0.751 121.238 120.500 -0.021 0.000 2.096 604 R HA -0.136 4.204 4.340 0.001 0.000 0.235 604 R C 2.069 178.360 176.300 -0.015 0.000 1.127 604 R CA 1.342 57.431 56.100 -0.018 0.000 0.968 604 R CB -0.259 30.028 30.300 -0.022 0.000 0.861 604 R HN 0.317 nan 8.270 nan 0.000 0.440 605 E N -0.005 120.185 120.200 -0.017 0.000 2.072 605 E HA -0.072 4.279 4.350 0.001 0.000 0.190 605 E C 2.043 178.637 176.600 -0.010 0.000 0.982 605 E CA 0.602 56.994 56.400 -0.014 0.000 0.803 605 E CB 0.013 29.705 29.700 -0.015 0.000 0.755 605 E HN 0.216 nan 8.360 nan 0.000 0.453 606 L N 0.283 121.499 121.223 -0.011 0.000 2.156 606 L HA -0.124 4.216 4.340 0.001 0.000 0.208 606 L C 2.194 179.062 176.870 -0.003 0.000 1.095 606 L CA 0.190 55.024 54.840 -0.010 0.000 0.770 606 L CB -0.123 41.925 42.059 -0.018 0.000 0.914 606 L HN 0.269 nan 8.230 nan 0.000 0.439 607 L N -0.984 120.242 121.223 0.004 0.000 2.095 607 L HA -0.071 4.270 4.340 0.001 0.000 0.204 607 L C 2.315 179.205 176.870 0.032 0.000 1.080 607 L CA 1.686 56.541 54.840 0.025 0.000 0.759 607 L CB -0.584 41.495 42.059 0.033 0.000 0.914 607 L HN 0.215 nan 8.230 nan 0.000 0.439 608 M N -0.990 118.616 119.600 0.010 0.000 2.492 608 M HA -0.034 4.446 4.480 0.001 0.000 0.262 608 M C 0.700 177.000 176.300 -0.000 0.000 1.090 608 M CA 0.820 56.119 55.300 -0.002 0.000 1.110 608 M CB -0.469 32.119 32.600 -0.020 0.000 1.407 608 M HN 0.305 nan 8.290 nan 0.000 0.470 609 N N 0.360 119.061 118.700 0.002 0.000 2.204 609 N HA 0.220 4.961 4.740 0.001 0.000 0.219 609 N C -0.018 175.495 175.510 0.005 0.000 1.151 609 N CA 0.015 53.065 53.050 0.000 0.000 0.867 609 N CB 0.869 39.353 38.487 -0.004 0.000 1.043 609 N HN 0.101 nan 8.380 nan 0.000 0.516 610 A N 0.501 123.329 122.820 0.014 0.000 2.351 610 A HA 0.213 4.534 4.320 0.001 0.000 0.257 610 A C 0.768 178.363 177.584 0.018 0.000 1.087 610 A CA -0.187 51.858 52.037 0.014 0.000 0.798 610 A CB 0.773 19.782 19.000 0.016 0.000 1.033 610 A HN 0.002 nan 8.150 nan 0.000 0.488 611 D N -0.229 120.177 120.400 0.009 0.000 2.213 611 D HA 0.102 4.742 4.640 0.001 0.000 0.205 611 D C 0.085 176.391 176.300 0.010 0.000 0.961 611 D CA 1.388 55.390 54.000 0.003 0.000 0.853 611 D CB 0.237 41.030 40.800 -0.012 0.000 0.967 611 D HN 0.230 nan 8.370 nan 0.000 0.496 612 V N 1.121 121.038 119.914 0.005 0.000 2.888 612 V HA 0.395 4.515 4.120 0.001 0.000 0.309 612 V C -0.441 175.637 176.094 -0.028 0.000 1.114 612 V CA -0.787 61.505 62.300 -0.012 0.000 0.940 612 V CB 2.951 34.763 31.823 -0.018 0.000 1.021 612 V HN -0.145 nan 8.190 nan 0.000 0.426 613 I N 2.710 123.241 120.570 -0.065 0.000 2.406 613 I HA 0.477 4.648 4.170 0.001 0.000 0.290 613 I C -0.714 175.320 176.117 -0.137 0.000 0.999 613 I CA -0.207 61.038 61.300 -0.092 0.000 1.124 613 I CB 1.717 39.665 38.000 -0.085 0.000 1.289 613 I HN 0.546 nan 8.210 nan 0.000 0.441 614 C N 5.772 125.007 119.300 -0.109 0.000 2.281 614 C HA 0.671 5.131 4.460 0.001 0.000 0.325 614 C C 0.150 175.080 174.990 -0.101 0.000 1.282 614 C CA -0.816 58.139 59.018 -0.106 0.000 1.640 614 C CB -0.285 27.402 27.740 -0.088 0.000 2.288 614 C HN 0.916 nan 8.230 nan 0.000 0.507 615 c N 1.449 119.984 118.600 -0.108 0.000 2.898 615 c HA 0.789 5.360 4.570 0.001 0.000 0.304 615 c C 0.169 174.208 174.090 -0.085 0.000 1.237 615 c CA -0.588 55.683 56.329 -0.096 0.000 1.529 615 c CB 0.599 43.038 42.510 -0.118 0.000 2.021 615 c HN 0.784 nan 8.230 nan 0.000 0.474 616 T N 0.006 114.516 114.554 -0.073 0.000 2.856 616 T HA 0.143 4.493 4.350 0.001 0.000 0.306 616 T C 1.349 176.003 174.700 -0.076 0.000 1.062 616 T CA 0.064 62.123 62.100 -0.069 0.000 1.083 616 T CB 0.301 69.130 68.868 -0.064 0.000 0.984 616 T HN 0.889 nan 8.240 nan 0.000 0.542 617 C N 2.813 122.069 119.300 -0.073 0.000 2.393 617 C HA -0.080 4.380 4.460 0.001 0.000 0.276 617 C C 2.865 177.810 174.990 -0.076 0.000 1.215 617 C CA 0.698 59.671 59.018 -0.075 0.000 1.743 617 C CB -1.235 26.465 27.740 -0.067 0.000 2.044 617 C HN 0.816 nan 8.230 nan 0.000 0.464 618 V N 0.944 120.809 119.914 -0.081 0.000 2.407 618 V HA -0.093 4.028 4.120 0.001 0.000 0.248 618 V C 2.504 178.552 176.094 -0.076 0.000 1.055 618 V CA 2.292 64.539 62.300 -0.088 0.000 1.049 618 V CB -1.245 30.507 31.823 -0.118 0.000 0.662 618 V HN 0.696 nan 8.190 nan 0.000 0.455 619 G N -0.866 107.890 108.800 -0.073 0.000 2.776 619 G HA2 -0.009 3.952 3.960 0.001 0.000 0.209 619 G HA3 -0.009 3.952 3.960 0.001 0.000 0.209 619 G C 1.561 176.428 174.900 -0.054 0.000 1.145 619 G CA 0.722 45.785 45.100 -0.062 0.000 0.791 619 G HN 0.587 nan 8.290 nan 0.000 0.530 620 A N 0.609 123.392 122.820 -0.061 0.000 2.066 620 A HA 0.253 4.574 4.320 0.001 0.000 0.218 620 A C 2.445 180.023 177.584 -0.011 0.000 1.157 620 A CA 1.482 53.486 52.037 -0.055 0.000 0.670 620 A CB -0.364 18.589 19.000 -0.078 0.000 0.804 620 A HN 0.408 nan 8.150 nan 0.000 0.453 621 G N -0.559 108.230 108.800 -0.018 0.000 2.848 621 G HA2 0.012 3.973 3.960 0.001 0.000 0.208 621 G HA3 0.012 3.973 3.960 0.001 0.000 0.208 621 G C 0.312 175.211 174.900 -0.001 0.000 1.152 621 G CA 0.211 45.309 45.100 -0.003 0.000 0.789 621 G HN 0.467 nan 8.290 nan 0.000 0.531 622 D N 0.852 121.249 120.400 -0.005 0.000 2.533 622 D HA 0.015 4.655 4.640 0.001 0.000 0.236 622 D C -0.983 175.323 176.300 0.009 0.000 1.137 622 D CA -1.229 52.768 54.000 -0.004 0.000 0.867 622 D CB 1.717 42.514 40.800 -0.006 0.000 1.170 622 D HN 0.007 nan 8.370 nan 0.000 0.474 623 P HA -0.141 nan 4.420 nan 0.000 0.215 623 P C 1.201 178.507 177.300 0.010 0.000 1.157 623 P CA 1.244 64.349 63.100 0.007 0.000 0.874 623 P CB 0.138 31.840 31.700 0.002 0.000 0.790 624 R N -0.677 119.828 120.500 0.009 0.000 2.226 624 R HA -0.097 4.243 4.340 0.001 0.000 0.246 624 R C 1.289 177.604 176.300 0.025 0.000 1.161 624 R CA 0.838 56.945 56.100 0.011 0.000 0.997 624 R CB -0.901 29.404 30.300 0.008 0.000 0.870 624 R HN 0.285 nan 8.270 nan 0.000 0.465 625 L N 1.223 122.472 121.223 0.044 0.000 2.888 625 L HA 0.223 4.564 4.340 0.001 0.000 0.237 625 L C 0.243 177.145 176.870 0.054 0.000 1.288 625 L CA -0.721 54.169 54.840 0.083 0.000 1.110 625 L CB 0.132 42.279 42.059 0.147 0.000 1.441 625 L HN 0.045 nan 8.230 nan 0.000 0.474 626 A N 0.202 123.034 122.820 0.021 0.000 2.454 626 A HA 0.238 4.558 4.320 0.001 0.000 0.260 626 A C 1.067 178.641 177.584 -0.017 0.000 1.106 626 A CA -0.110 51.930 52.037 0.005 0.000 0.780 626 A CB 0.155 19.155 19.000 -0.000 0.000 1.044 626 A HN 0.442 nan 8.150 nan 0.000 0.498 627 K N -0.110 120.275 120.400 -0.024 0.000 3.160 627 K HA -0.168 4.152 4.320 0.001 0.000 0.280 627 K C -0.242 176.296 176.600 -0.104 0.000 1.154 627 K CA 1.469 57.726 56.287 -0.051 0.000 0.822 627 K CB -1.893 30.583 32.500 -0.039 0.000 1.239 627 K HN 0.830 nan 8.250 nan 0.000 0.489 628 M N 0.641 120.154 119.600 -0.145 0.000 2.264 628 M HA 0.230 4.711 4.480 0.001 0.000 0.352 628 M C 0.358 176.365 176.300 -0.488 0.000 1.173 628 M CA -0.142 54.957 55.300 -0.336 0.000 1.075 628 M CB 1.601 33.974 32.600 -0.378 0.000 1.621 628 M HN 0.049 nan 8.290 nan 0.000 0.457 629 Q N 1.737 121.193 119.800 -0.572 0.000 2.297 629 Q HA 0.659 5.000 4.340 0.001 0.000 0.269 629 Q C -1.639 173.884 176.000 -0.795 0.000 1.051 629 Q CA -0.584 54.928 55.803 -0.484 0.000 0.869 629 Q CB 2.422 31.036 28.738 -0.207 0.000 1.346 629 Q HN 0.546 nan 8.270 nan 0.000 0.457 630 F N 0.389 120.330 119.950 -0.015 0.000 2.617 630 F HA 0.333 4.861 4.527 0.001 0.000 0.325 630 F C 0.889 176.682 175.800 -0.013 0.000 1.179 630 F CA -0.791 57.199 58.000 -0.016 0.000 0.965 630 F CB 1.229 40.218 39.000 -0.018 0.000 1.232 630 F HN 0.443 nan 8.300 nan 0.000 0.461 631 R N 1.075 121.654 120.500 0.131 0.000 2.070 631 R HA -0.000 4.340 4.340 0.001 0.000 0.232 631 R C 0.015 176.366 176.300 0.084 0.000 1.138 631 R CA 1.255 57.401 56.100 0.077 0.000 0.936 631 R CB -0.026 30.301 30.300 0.045 0.000 0.839 631 R HN 0.558 nan 8.270 nan 0.000 0.429 632 S N 0.163 115.917 115.700 0.090 0.000 2.475 632 S HA 0.560 5.030 4.470 0.001 0.000 0.298 632 S C -0.276 174.351 174.600 0.045 0.000 1.119 632 S CA -0.601 57.634 58.200 0.058 0.000 1.085 632 S CB 1.899 65.125 63.200 0.043 0.000 1.028 632 S HN 0.215 nan 8.310 nan 0.000 0.489 633 I N 3.021 123.601 120.570 0.016 0.000 2.512 633 I HA 0.410 4.581 4.170 0.001 0.000 0.287 633 I C -1.170 174.934 176.117 -0.022 0.000 1.069 633 I CA -0.504 60.781 61.300 -0.025 0.000 1.056 633 I CB 1.775 39.758 38.000 -0.029 0.000 1.229 633 I HN 0.393 nan 8.210 nan 0.000 0.429 634 L N 7.401 128.604 121.223 -0.034 0.000 2.346 634 L HA 0.677 5.018 4.340 0.001 0.000 0.276 634 L C -1.263 175.591 176.870 -0.026 0.000 1.006 634 L CA -0.449 54.382 54.840 -0.014 0.000 0.817 634 L CB 1.911 43.969 42.059 -0.002 0.000 1.272 634 L HN 0.500 nan 8.230 nan 0.000 0.421 635 I N 3.937 124.504 120.570 -0.005 0.000 2.439 635 I HA 0.305 4.476 4.170 0.001 0.000 0.283 635 I C -0.960 175.165 176.117 0.013 0.000 1.023 635 I CA -0.569 60.725 61.300 -0.009 0.000 1.100 635 I CB 1.695 39.691 38.000 -0.007 0.000 1.238 635 I HN 0.529 nan 8.210 nan 0.000 0.445 636 D N 4.350 124.748 120.400 -0.003 0.000 2.312 636 D HA 0.179 4.819 4.640 0.001 0.000 0.248 636 D C 0.467 176.759 176.300 -0.014 0.000 1.086 636 D CA 0.265 54.265 54.000 0.000 0.000 0.948 636 D CB 1.098 41.893 40.800 -0.007 0.000 1.162 636 D HN 0.459 nan 8.370 nan 0.000 0.446 637 E N 0.165 120.350 120.200 -0.025 0.000 2.476 637 E HA -0.221 4.129 4.350 0.001 0.000 0.251 637 E C 0.722 177.292 176.600 -0.050 0.000 1.130 637 E CA 1.000 57.372 56.400 -0.046 0.000 0.736 637 E CB -1.513 28.166 29.700 -0.034 0.000 1.298 637 E HN 0.350 nan 8.360 nan 0.000 0.400 638 S N -2.865 112.809 115.700 -0.044 0.000 2.436 638 S HA -0.127 4.344 4.470 0.001 0.000 0.228 638 S C 1.788 176.372 174.600 -0.027 0.000 1.014 638 S CA 1.020 59.217 58.200 -0.006 0.000 0.950 638 S CB -0.362 62.888 63.200 0.083 0.000 0.784 638 S HN 0.423 nan 8.310 nan 0.000 0.504 639 T N -0.404 114.063 114.554 -0.144 0.000 3.155 639 T HA 0.088 4.439 4.350 0.001 0.000 0.264 639 T C 1.381 176.050 174.700 -0.052 0.000 1.160 639 T CA 0.481 62.504 62.100 -0.129 0.000 1.075 639 T CB -0.374 68.320 68.868 -0.289 0.000 0.921 639 T HN 0.491 nan 8.240 nan 0.000 0.533 640 Q N 0.195 119.969 119.800 -0.043 0.000 2.282 640 Q HA 0.459 4.799 4.340 0.001 0.000 0.206 640 Q C 0.616 176.611 176.000 -0.008 0.000 0.878 640 Q CA -0.122 55.669 55.803 -0.021 0.000 0.944 640 Q CB 0.715 29.437 28.738 -0.026 0.000 1.100 640 Q HN 0.685 nan 8.270 nan 0.000 0.509 641 A N 1.351 124.168 122.820 -0.005 0.000 2.320 641 A HA 0.505 4.825 4.320 0.001 0.000 0.334 641 A C 0.341 177.935 177.584 0.016 0.000 1.147 641 A CA -0.519 51.517 52.037 -0.002 0.000 0.820 641 A CB 0.707 19.698 19.000 -0.015 0.000 1.218 641 A HN 0.166 nan 8.150 nan 0.000 0.482 642 T N -1.089 113.477 114.554 0.020 0.000 2.860 642 T HA 0.200 4.550 4.350 0.001 0.000 0.299 642 T C 0.900 175.601 174.700 0.001 0.000 1.045 642 T CA 0.469 62.594 62.100 0.041 0.000 1.071 642 T CB 0.869 69.777 68.868 0.066 0.000 0.985 642 T HN 0.770 nan 8.240 nan 0.000 0.537 643 E N 1.245 121.438 120.200 -0.012 0.000 2.058 643 E HA -0.092 4.258 4.350 0.001 0.000 0.194 643 E C -0.790 175.667 176.600 -0.238 0.000 0.997 643 E CA 1.065 57.376 56.400 -0.147 0.000 0.801 643 E CB -1.062 28.481 29.700 -0.261 0.000 0.746 643 E HN 0.582 nan 8.360 nan 0.000 0.450 644 P HA -0.160 nan 4.420 nan 0.000 0.218 644 P C 0.788 178.035 177.300 -0.089 0.000 1.149 644 P CA 1.304 64.303 63.100 -0.168 0.000 0.817 644 P CB -0.017 31.654 31.700 -0.048 0.000 0.785 645 E N -0.847 119.316 120.200 -0.062 0.000 2.058 645 E HA -0.205 4.146 4.350 0.001 0.000 0.194 645 E C 1.572 178.128 176.600 -0.073 0.000 0.997 645 E CA 1.426 57.791 56.400 -0.059 0.000 0.801 645 E CB -0.450 29.223 29.700 -0.045 0.000 0.746 645 E HN 0.128 nan 8.360 nan 0.000 0.450 646 C N 0.688 119.940 119.300 -0.080 0.000 2.422 646 C HA -0.091 4.369 4.460 0.001 0.000 0.279 646 C C 2.472 177.393 174.990 -0.115 0.000 1.305 646 C CA 0.423 59.390 59.018 -0.085 0.000 1.757 646 C CB -0.664 27.030 27.740 -0.076 0.000 1.962 646 C HN 0.552 nan 8.230 nan 0.000 0.499 647 M N 0.144 119.658 119.600 -0.144 0.000 2.476 647 M HA -0.036 4.445 4.480 0.001 0.000 0.262 647 M C 2.087 178.318 176.300 -0.115 0.000 1.079 647 M CA 0.949 56.142 55.300 -0.178 0.000 1.104 647 M CB -1.187 31.287 32.600 -0.210 0.000 1.409 647 M HN 0.255 nan 8.290 nan 0.000 0.467 648 V N 1.841 121.707 119.914 -0.080 0.000 2.255 648 V HA -0.209 3.912 4.120 0.001 0.000 0.247 648 V C -0.317 175.752 176.094 -0.043 0.000 1.051 648 V CA 2.199 64.469 62.300 -0.050 0.000 1.018 648 V CB -2.162 29.631 31.823 -0.048 0.000 0.641 648 V HN 0.249 nan 8.190 nan 0.000 0.445 649 P HA -0.056 nan 4.420 nan 0.000 0.217 649 P C 1.926 179.204 177.300 -0.037 0.000 1.151 649 P CA 1.185 64.251 63.100 -0.056 0.000 0.828 649 P CB -0.126 31.518 31.700 -0.094 0.000 0.788 650 V N 0.896 120.766 119.914 -0.074 0.000 2.392 650 V HA -0.172 3.949 4.120 0.001 0.000 0.249 650 V C 2.538 178.596 176.094 -0.060 0.000 1.059 650 V CA 2.130 64.376 62.300 -0.089 0.000 1.051 650 V CB -1.325 30.392 31.823 -0.177 0.000 0.658 650 V HN 0.052 nan 8.190 nan 0.000 0.455 651 V N -2.319 117.563 119.914 -0.054 0.000 3.592 651 V HA 0.131 4.251 4.120 0.001 0.000 0.272 651 V C 1.346 177.464 176.094 0.041 0.000 1.228 651 V CA 0.872 63.169 62.300 -0.005 0.000 1.173 651 V CB -0.886 30.943 31.823 0.010 0.000 0.873 651 V HN 0.476 nan 8.190 nan 0.000 0.476 652 L N 2.135 123.403 121.223 0.074 0.000 2.779 652 L HA 0.533 4.873 4.340 0.001 0.000 0.239 652 L C 1.523 178.462 176.870 0.115 0.000 1.245 652 L CA 0.526 55.446 54.840 0.134 0.000 1.064 652 L CB -0.619 41.626 42.059 0.309 0.000 1.350 652 L HN 0.621 nan 8.230 nan 0.000 0.455 653 G N -0.181 108.658 108.800 0.064 0.000 2.131 653 G HA2 -0.202 3.759 3.960 0.001 0.000 0.201 653 G HA3 -0.202 3.759 3.960 0.001 0.000 0.201 653 G C 0.379 175.311 174.900 0.055 0.000 1.000 653 G CA -0.206 44.919 45.100 0.041 0.000 0.680 653 G HN 0.515 nan 8.290 nan 0.000 0.514 654 A N 0.073 122.928 122.820 0.057 0.000 2.561 654 A HA 0.499 4.819 4.320 0.001 0.000 0.251 654 A C 1.428 179.044 177.584 0.053 0.000 1.062 654 A CA 1.153 53.221 52.037 0.052 0.000 0.761 654 A CB 0.273 19.285 19.000 0.019 0.000 0.986 654 A HN 0.350 nan 8.150 nan 0.000 0.510 655 K N 1.128 121.561 120.400 0.055 0.000 2.348 655 K HA 0.092 4.412 4.320 0.001 0.000 0.194 655 K C 0.558 177.195 176.600 0.062 0.000 1.052 655 K CA 0.556 56.878 56.287 0.058 0.000 1.004 655 K CB 0.546 33.070 32.500 0.040 0.000 0.873 655 K HN 0.856 nan 8.250 nan 0.000 0.523 656 Q N 0.815 120.646 119.800 0.052 0.000 2.289 656 Q HA 0.427 4.768 4.340 0.001 0.000 0.270 656 Q C -2.074 173.947 176.000 0.035 0.000 1.038 656 Q CA -0.650 55.180 55.803 0.045 0.000 0.812 656 Q CB 1.713 30.470 28.738 0.032 0.000 1.300 656 Q HN 0.005 nan 8.270 nan 0.000 0.427 657 L N 4.594 125.835 121.223 0.031 0.000 2.436 657 L HA 0.630 4.970 4.340 0.001 0.000 0.268 657 L C -2.006 174.869 176.870 0.010 0.000 0.974 657 L CA -0.369 54.477 54.840 0.010 0.000 0.826 657 L CB 2.043 44.096 42.059 -0.010 0.000 1.291 657 L HN 0.686 nan 8.230 nan 0.000 0.406 658 I N 5.661 126.238 120.570 0.011 0.000 2.418 658 I HA 0.455 4.626 4.170 0.001 0.000 0.287 658 I C -0.875 175.266 176.117 0.040 0.000 1.008 658 I CA -0.190 61.123 61.300 0.021 0.000 1.104 658 I CB 1.728 39.745 38.000 0.029 0.000 1.264 658 I HN 0.382 nan 8.210 nan 0.000 0.438 659 L N 6.607 127.868 121.223 0.063 0.000 2.296 659 L HA 0.713 5.053 4.340 0.001 0.000 0.286 659 L C -0.695 176.344 176.870 0.282 0.000 1.023 659 L CA -0.933 54.002 54.840 0.159 0.000 0.812 659 L CB 1.510 43.682 42.059 0.188 0.000 1.223 659 L HN 0.233 nan 8.230 nan 0.000 0.421 660 V N 2.173 122.228 119.914 0.234 0.000 2.540 660 V HA 0.958 5.078 4.120 0.001 0.000 0.302 660 V C 0.379 176.513 176.094 0.066 0.000 1.035 660 V CA -0.176 62.242 62.300 0.197 0.000 0.873 660 V CB 1.416 33.296 31.823 0.095 0.000 0.992 660 V HN 1.027 nan 8.190 nan 0.000 0.428 661 G N 2.975 111.733 108.800 -0.071 0.000 2.393 661 G HA2 0.518 4.478 3.960 0.001 0.000 0.264 661 G HA3 0.518 4.478 3.960 0.001 0.000 0.264 661 G C -2.157 172.529 174.900 -0.357 0.000 1.221 661 G CA -0.159 44.747 45.100 -0.323 0.000 0.912 661 G HN 0.588 nan 8.290 nan 0.000 0.483 662 D N -1.091 119.055 120.400 -0.424 0.000 2.369 662 D HA 0.211 4.852 4.640 0.001 0.000 0.212 662 D C 0.749 176.954 176.300 -0.157 0.000 1.326 662 D CA -0.430 53.455 54.000 -0.191 0.000 0.933 662 D CB 0.243 41.009 40.800 -0.057 0.000 1.516 662 D HN 0.541 nan 8.370 nan 0.000 0.557 663 H N 1.041 119.999 119.070 -0.187 0.000 2.563 663 H HA 0.061 4.617 4.556 0.001 0.000 0.272 663 H C 0.794 176.116 175.328 -0.010 0.000 1.005 663 H CA 0.163 56.179 56.048 -0.053 0.000 1.171 663 H CB -0.483 29.341 29.762 0.104 0.000 1.351 663 H HN 0.243 nan 8.280 nan 0.000 0.602 664 C N 0.932 120.036 119.300 -0.326 0.000 2.697 664 C HA 0.219 4.680 4.460 0.001 0.000 0.267 664 C C 1.039 175.908 174.990 -0.202 0.000 1.278 664 C CA -0.119 58.726 59.018 -0.288 0.000 1.708 664 C CB -0.763 26.731 27.740 -0.410 0.000 1.860 664 C HN 0.560 nan 8.230 nan 0.000 0.589 665 Q N -0.449 119.280 119.800 -0.119 0.000 2.699 665 Q HA 0.534 4.874 4.340 0.001 0.000 0.240 665 Q C -0.453 175.510 176.000 -0.062 0.000 1.033 665 Q CA -0.758 54.988 55.803 -0.096 0.000 0.938 665 Q CB 0.750 29.453 28.738 -0.060 0.000 1.312 665 Q HN 0.281 nan 8.270 nan 0.000 0.507 666 L N 1.147 122.347 121.223 -0.039 0.000 2.485 666 L HA 0.138 4.478 4.340 0.001 0.000 0.275 666 L C 0.786 177.651 176.870 -0.009 0.000 1.207 666 L CA -0.097 54.736 54.840 -0.013 0.000 0.855 666 L CB -0.260 41.803 42.059 0.005 0.000 1.114 666 L HN 0.719 nan 8.230 nan 0.000 0.485 667 G N 2.888 111.693 108.800 0.007 0.000 2.525 667 G HA2 0.486 4.446 3.960 0.001 0.000 0.287 667 G HA3 0.486 4.446 3.960 0.001 0.000 0.287 667 G C -2.582 172.329 174.900 0.017 0.000 1.350 667 G CA -1.011 44.099 45.100 0.016 0.000 1.039 667 G HN 0.415 nan 8.290 nan 0.000 0.513 668 P HA 0.244 nan 4.420 nan 0.000 0.271 668 P C 0.093 177.411 177.300 0.030 0.000 1.218 668 P CA -0.415 62.700 63.100 0.026 0.000 0.780 668 P CB 1.064 32.785 31.700 0.036 0.000 0.901 669 V N 1.097 121.029 119.914 0.029 0.000 2.508 669 V HA 0.393 4.514 4.120 0.001 0.000 0.281 669 V C -0.307 175.813 176.094 0.043 0.000 1.041 669 V CA -0.245 62.075 62.300 0.034 0.000 1.016 669 V CB 0.649 32.494 31.823 0.036 0.000 0.984 669 V HN 0.200 nan 8.190 nan 0.000 0.478 670 V N 6.278 126.209 119.914 0.029 0.000 2.524 670 V HA 0.323 4.443 4.120 0.001 0.000 0.297 670 V C 0.546 176.620 176.094 -0.033 0.000 1.035 670 V CA -0.356 61.954 62.300 0.017 0.000 0.867 670 V CB 1.407 33.234 31.823 0.007 0.000 1.004 670 V HN 0.929 nan 8.190 nan 0.000 0.426 671 M N 2.832 122.409 119.600 -0.038 0.000 2.193 671 M HA 0.101 4.582 4.480 0.001 0.000 0.265 671 M C 1.173 177.142 176.300 -0.551 0.000 1.071 671 M CA 1.149 56.388 55.300 -0.103 0.000 1.140 671 M CB -0.171 32.504 32.600 0.125 0.000 1.369 671 M HN 0.679 nan 8.290 nan 0.000 0.423 672 C N 1.860 120.749 119.300 -0.685 0.000 2.442 672 C HA 0.139 4.600 4.460 0.001 0.000 0.362 672 C C 1.638 176.377 174.990 -0.418 0.000 1.242 672 C CA -0.518 57.927 59.018 -0.955 0.000 1.741 672 C CB -0.967 26.437 27.740 -0.561 0.000 2.378 672 C HN 0.550 nan 8.230 nan 0.000 0.549 673 K N 3.019 123.213 120.400 -0.344 0.000 2.057 673 K HA -0.170 4.151 4.320 0.001 0.000 0.207 673 K C 2.136 178.675 176.600 -0.103 0.000 1.049 673 K CA 1.508 57.703 56.287 -0.152 0.000 0.931 673 K CB -0.030 32.418 32.500 -0.087 0.000 0.714 673 K HN 0.720 nan 8.250 nan 0.000 0.440 674 K N 0.867 121.208 120.400 -0.099 0.000 2.103 674 K HA -0.153 4.168 4.320 0.001 0.000 0.207 674 K C 2.097 178.664 176.600 -0.056 0.000 1.048 674 K CA 1.286 57.539 56.287 -0.056 0.000 0.930 674 K CB -0.079 32.401 32.500 -0.034 0.000 0.716 674 K HN 0.154 nan 8.250 nan 0.000 0.444 675 A N 0.909 123.684 122.820 -0.075 0.000 1.898 675 A HA -0.064 4.256 4.320 0.001 0.000 0.216 675 A C 2.291 179.854 177.584 -0.035 0.000 1.181 675 A CA 1.706 53.714 52.037 -0.049 0.000 0.620 675 A CB -0.680 18.293 19.000 -0.044 0.000 0.819 675 A HN 0.461 nan 8.150 nan 0.000 0.442 676 A N -0.028 122.765 122.820 -0.044 0.000 1.877 676 A HA -0.150 4.170 4.320 0.001 0.000 0.216 676 A C 2.123 179.700 177.584 -0.012 0.000 1.186 676 A CA 1.713 53.738 52.037 -0.019 0.000 0.620 676 A CB -0.440 18.543 19.000 -0.028 0.000 0.822 676 A HN 0.479 nan 8.150 nan 0.000 0.443 677 K N -0.345 120.042 120.400 -0.022 0.000 2.097 677 K HA -0.070 4.250 4.320 0.001 0.000 0.206 677 K C 2.084 178.672 176.600 -0.020 0.000 1.049 677 K CA 1.132 57.410 56.287 -0.015 0.000 0.933 677 K CB -0.318 32.172 32.500 -0.017 0.000 0.717 677 K HN 0.445 nan 8.250 nan 0.000 0.442 678 A N 0.281 123.083 122.820 -0.031 0.000 2.168 678 A HA 0.065 4.386 4.320 0.001 0.000 0.215 678 A C 1.462 179.007 177.584 -0.065 0.000 1.152 678 A CA 1.425 53.434 52.037 -0.048 0.000 0.716 678 A CB -0.096 18.871 19.000 -0.055 0.000 0.794 678 A HN 0.468 nan 8.150 nan 0.000 0.465 679 G N -2.356 106.422 108.800 -0.038 0.000 2.370 679 G HA2 -0.122 3.838 3.960 0.001 0.000 0.174 679 G HA3 -0.122 3.838 3.960 0.001 0.000 0.174 679 G C 0.592 175.517 174.900 0.042 0.000 1.002 679 G CA 0.259 45.346 45.100 -0.021 0.000 0.730 679 G HN 0.485 nan 8.290 nan 0.000 0.497 680 L N 2.320 123.571 121.223 0.046 0.000 2.376 680 L HA 0.243 4.583 4.340 0.001 0.000 0.219 680 L C 2.669 179.602 176.870 0.106 0.000 1.133 680 L CA 2.694 57.602 54.840 0.114 0.000 0.816 680 L CB -0.196 41.916 42.059 0.088 0.000 0.933 680 L HN 0.521 nan 8.230 nan 0.000 0.449 681 S N -1.918 113.825 115.700 0.071 0.000 2.522 681 S HA -0.089 4.381 4.470 0.001 0.000 0.227 681 S C 1.093 175.742 174.600 0.080 0.000 0.986 681 S CA -0.139 58.099 58.200 0.063 0.000 0.929 681 S CB -0.458 62.766 63.200 0.040 0.000 0.769 681 S HN 0.588 nan 8.310 nan 0.000 0.529 682 Q N 3.015 122.879 119.800 0.106 0.000 2.314 682 Q HA 0.327 4.668 4.340 0.001 0.000 0.257 682 Q C -0.048 176.037 176.000 0.142 0.000 0.975 682 Q CA -0.479 55.398 55.803 0.124 0.000 0.933 682 Q CB 0.764 29.582 28.738 0.134 0.000 1.195 682 Q HN 0.548 nan 8.270 nan 0.000 0.426 683 S N 3.419 119.193 115.700 0.123 0.000 2.584 683 S HA 0.015 4.485 4.470 0.001 0.000 0.270 683 S C 1.206 175.888 174.600 0.136 0.000 1.346 683 S CA -0.717 57.552 58.200 0.116 0.000 1.018 683 S CB 0.699 63.964 63.200 0.108 0.000 0.899 683 S HN 0.889 nan 8.310 nan 0.000 0.542 684 L N 0.951 122.231 121.223 0.095 0.000 2.013 684 L HA -0.105 4.236 4.340 0.001 0.000 0.212 684 L C 2.286 179.218 176.870 0.104 0.000 1.073 684 L CA 2.102 56.981 54.840 0.065 0.000 0.753 684 L CB -0.567 41.491 42.059 -0.002 0.000 0.890 684 L HN 0.878 nan 8.230 nan 0.000 0.432 685 F N 1.208 121.150 119.950 -0.014 0.000 2.063 685 F HA -0.337 4.190 4.527 0.001 0.000 0.298 685 F C 2.418 178.190 175.800 -0.047 0.000 1.109 685 F CA 2.368 60.355 58.000 -0.023 0.000 1.212 685 F CB -0.289 38.711 39.000 -0.001 0.000 0.973 685 F HN 0.154 nan 8.300 nan 0.000 0.480 686 E N -0.464 119.939 120.200 0.338 0.000 2.077 686 E HA -0.268 4.083 4.350 0.001 0.000 0.193 686 E C 2.360 179.004 176.600 0.074 0.000 0.989 686 E CA 1.328 57.838 56.400 0.183 0.000 0.800 686 E CB -0.284 29.523 29.700 0.178 0.000 0.746 686 E HN 0.349 nan 8.360 nan 0.000 0.452 687 R N 0.675 121.233 120.500 0.095 0.000 2.096 687 R HA -0.126 4.214 4.340 0.001 0.000 0.235 687 R C 2.204 178.524 176.300 0.033 0.000 1.127 687 R CA 0.986 57.141 56.100 0.092 0.000 0.968 687 R CB -0.112 30.285 30.300 0.163 0.000 0.861 687 R HN 0.166 nan 8.270 nan 0.000 0.440 688 L N -0.077 121.129 121.223 -0.027 0.000 2.141 688 L HA -0.117 4.224 4.340 0.001 0.000 0.209 688 L C 2.297 179.093 176.870 -0.123 0.000 1.094 688 L CA 0.611 55.397 54.840 -0.090 0.000 0.763 688 L CB -0.201 41.762 42.059 -0.160 0.000 0.908 688 L HN 0.073 nan 8.230 nan 0.000 0.437 689 V N -0.770 119.046 119.914 -0.164 0.000 2.427 689 V HA -0.220 3.901 4.120 0.001 0.000 0.248 689 V C 2.371 178.424 176.094 -0.069 0.000 1.051 689 V CA 1.331 63.534 62.300 -0.162 0.000 1.048 689 V CB -0.145 31.520 31.823 -0.262 0.000 0.666 689 V HN 0.209 nan 8.190 nan 0.000 0.456 690 V N -0.371 119.524 119.914 -0.031 0.000 2.626 690 V HA -0.164 3.956 4.120 0.001 0.000 0.252 690 V C 2.117 178.212 176.094 0.001 0.000 1.067 690 V CA 1.498 63.799 62.300 0.002 0.000 1.081 690 V CB -0.407 31.432 31.823 0.027 0.000 0.686 690 V HN 0.460 nan 8.190 nan 0.000 0.468 691 L N -0.098 121.121 121.223 -0.006 0.000 2.478 691 L HA 0.209 4.549 4.340 0.001 0.000 0.223 691 L C 1.791 178.654 176.870 -0.011 0.000 1.140 691 L CA 1.090 55.929 54.840 -0.002 0.000 0.842 691 L CB -0.108 41.952 42.059 0.001 0.000 0.953 691 L HN 0.558 nan 8.230 nan 0.000 0.452 692 G N -0.105 108.681 108.800 -0.023 0.000 2.205 692 G HA2 -0.200 3.761 3.960 0.001 0.000 0.180 692 G HA3 -0.200 3.761 3.960 0.001 0.000 0.180 692 G C 0.284 175.166 174.900 -0.029 0.000 1.004 692 G CA -0.567 44.523 45.100 -0.018 0.000 0.670 692 G HN 0.166 nan 8.290 nan 0.000 0.496 693 I N 2.438 122.974 120.570 -0.057 0.000 2.574 693 I HA 0.124 4.295 4.170 0.001 0.000 0.291 693 I C 1.223 177.287 176.117 -0.089 0.000 1.131 693 I CA -0.072 61.185 61.300 -0.073 0.000 1.352 693 I CB 0.276 38.210 38.000 -0.111 0.000 1.431 693 I HN 0.085 nan 8.210 nan 0.000 0.543 694 R N 7.998 128.474 120.500 -0.040 0.000 2.316 694 R HA 0.263 4.603 4.340 0.001 0.000 0.314 694 R C -2.231 174.061 176.300 -0.013 0.000 1.069 694 R CA -1.443 54.650 56.100 -0.013 0.000 0.959 694 R CB 0.589 30.905 30.300 0.026 0.000 0.987 694 R HN 0.287 nan 8.270 nan 0.000 0.446 695 P HA 0.061 nan 4.420 nan 0.000 0.271 695 P C -0.431 176.934 177.300 0.109 0.000 1.216 695 P CA 0.000 63.126 63.100 0.043 0.000 0.776 695 P CB 0.586 32.379 31.700 0.156 0.000 0.881 696 I N 2.664 123.299 120.570 0.108 0.000 2.416 696 I HA 0.195 4.365 4.170 0.001 0.000 0.288 696 I C 1.185 177.401 176.117 0.165 0.000 1.051 696 I CA -0.235 61.158 61.300 0.155 0.000 1.375 696 I CB 0.386 38.445 38.000 0.099 0.000 1.407 696 I HN 0.214 nan 8.210 nan 0.000 0.516 697 R N 7.325 127.925 120.500 0.166 0.000 2.294 697 R HA 0.479 4.819 4.340 0.001 0.000 0.319 697 R C -1.039 175.324 176.300 0.105 0.000 0.984 697 R CA -0.729 55.453 56.100 0.136 0.000 0.861 697 R CB 0.802 31.176 30.300 0.124 0.000 1.104 697 R HN 0.601 nan 8.270 nan 0.000 0.451 698 L N 5.211 126.483 121.223 0.081 0.000 2.361 698 L HA 0.134 4.475 4.340 0.001 0.000 0.278 698 L C 0.785 177.658 176.870 0.005 0.000 1.113 698 L CA 0.129 55.005 54.840 0.059 0.000 0.849 698 L CB 1.123 43.219 42.059 0.061 0.000 1.155 698 L HN 0.727 nan 8.230 nan 0.000 0.452 699 Q N 1.781 121.581 119.800 0.000 0.000 2.217 699 Q HA 0.171 4.512 4.340 0.001 0.000 0.217 699 Q C -0.430 175.516 176.000 -0.090 0.000 0.844 699 Q CA -0.053 55.720 55.803 -0.050 0.000 0.957 699 Q CB 1.250 29.970 28.738 -0.030 0.000 1.127 699 Q HN 0.537 nan 8.270 nan 0.000 0.503 700 V N 2.994 122.858 119.914 -0.084 0.000 2.318 700 V HA 0.175 4.295 4.120 0.001 0.000 0.271 700 V C -0.382 175.516 176.094 -0.327 0.000 1.030 700 V CA -0.799 61.364 62.300 -0.228 0.000 0.844 700 V CB 0.727 32.408 31.823 -0.236 0.000 1.015 700 V HN 0.223 nan 8.190 nan 0.000 0.460 701 Q N 3.851 123.450 119.800 -0.335 0.000 2.274 701 Q HA 0.399 4.740 4.340 0.001 0.000 0.256 701 Q C -0.818 174.962 176.000 -0.366 0.000 0.927 701 Q CA -0.038 55.620 55.803 -0.241 0.000 0.939 701 Q CB 0.775 29.417 28.738 -0.159 0.000 1.201 701 Q HN 0.635 nan 8.270 nan 0.000 0.426 702 Y N 1.503 121.762 120.300 -0.068 0.000 2.607 702 Y HA 0.324 4.875 4.550 0.001 0.000 0.266 702 Y C 1.471 177.321 175.900 -0.084 0.000 1.178 702 Y CA -0.480 57.578 58.100 -0.070 0.000 1.226 702 Y CB 0.428 38.854 38.460 -0.056 0.000 1.144 702 Y HN 0.741 nan 8.280 nan 0.000 0.528 703 R N 0.866 121.371 120.500 0.009 0.000 2.102 703 R HA 0.215 4.556 4.340 0.001 0.000 0.208 703 R C 0.603 176.841 176.300 -0.104 0.000 1.131 703 R CA 0.483 56.564 56.100 -0.032 0.000 1.054 703 R CB 0.386 30.672 30.300 -0.022 0.000 0.954 703 R HN 0.240 nan 8.270 nan 0.000 0.465 704 M N -0.341 119.198 119.600 -0.101 0.000 2.578 704 M HA 0.301 4.782 4.480 0.001 0.000 0.321 704 M C -0.854 175.389 176.300 -0.094 0.000 1.182 704 M CA -0.780 54.454 55.300 -0.110 0.000 0.965 704 M CB 1.687 34.252 32.600 -0.059 0.000 1.694 704 M HN 0.040 nan 8.290 nan 0.000 0.461 705 H N 3.000 121.940 119.070 -0.217 0.000 3.173 705 H HA 0.006 4.563 4.556 0.000 0.000 0.311 705 H C -1.866 173.390 175.328 -0.119 0.000 0.972 705 H CA -0.022 55.919 56.048 -0.179 0.000 1.384 705 H CB 0.532 30.183 29.762 -0.185 0.000 1.349 705 H HN 0.470 nan 8.280 nan 0.000 0.582 706 P HA -0.291 nan 4.420 nan 0.000 0.218 706 P C 0.896 178.262 177.300 0.110 0.000 1.150 706 P CA 2.139 65.269 63.100 0.050 0.000 0.841 706 P CB 0.040 31.739 31.700 -0.001 0.000 0.784 707 A N -0.624 122.320 122.820 0.205 0.000 1.873 707 A HA -0.163 4.157 4.320 0.001 0.000 0.215 707 A C 2.188 179.800 177.584 0.046 0.000 1.186 707 A CA 1.439 53.514 52.037 0.065 0.000 0.616 707 A CB -1.572 17.364 19.000 -0.106 0.000 0.823 707 A HN 0.128 nan 8.150 nan 0.000 0.442 708 L N 0.581 121.812 121.223 0.013 0.000 2.079 708 L HA -0.178 4.163 4.340 0.001 0.000 0.210 708 L C 2.775 179.692 176.870 0.078 0.000 1.081 708 L CA 1.652 56.511 54.840 0.033 0.000 0.752 708 L CB -0.664 41.393 42.059 -0.002 0.000 0.896 708 L HN 0.605 nan 8.230 nan 0.000 0.433 709 S N -0.250 115.483 115.700 0.056 0.000 2.561 709 S HA 0.060 4.530 4.470 0.001 0.000 0.225 709 S C 1.998 176.634 174.600 0.062 0.000 0.977 709 S CA 0.439 58.668 58.200 0.049 0.000 0.926 709 S CB 0.041 63.239 63.200 -0.003 0.000 0.769 709 S HN 0.323 nan 8.310 nan 0.000 0.533 710 A N 1.714 124.578 122.820 0.074 0.000 1.841 710 A HA 0.104 4.425 4.320 0.001 0.000 0.214 710 A C 1.899 179.455 177.584 -0.047 0.000 1.195 710 A CA 1.310 53.365 52.037 0.028 0.000 0.611 710 A CB -1.181 17.871 19.000 0.085 0.000 0.835 710 A HN 0.616 nan 8.150 nan 0.000 0.443 711 F N 1.400 121.238 119.950 -0.186 0.000 2.084 711 F HA -0.027 4.500 4.527 0.001 0.000 0.296 711 F C -0.738 174.999 175.800 -0.105 0.000 1.111 711 F CA 1.874 59.694 58.000 -0.300 0.000 1.224 711 F CB -0.923 37.931 39.000 -0.244 0.000 0.991 711 F HN 0.156 nan 8.300 nan 0.000 0.471 712 P HA -0.202 nan 4.420 nan 0.000 0.216 712 P C 1.991 179.457 177.300 0.277 0.000 1.150 712 P CA 2.146 65.466 63.100 0.367 0.000 0.837 712 P CB -0.204 31.725 31.700 0.381 0.000 0.786 713 S N -0.941 114.855 115.700 0.160 0.000 2.356 713 S HA -0.194 4.277 4.470 0.001 0.000 0.223 713 S C 1.812 176.428 174.600 0.028 0.000 1.032 713 S CA 1.924 60.218 58.200 0.157 0.000 1.005 713 S CB -1.183 62.042 63.200 0.041 0.000 0.867 713 S HN 0.144 nan 8.310 nan 0.000 0.449 714 N N 0.038 118.648 118.700 -0.150 0.000 2.135 714 N HA 0.044 4.784 4.740 0.001 0.000 0.186 714 N C 1.550 176.853 175.510 -0.346 0.000 1.027 714 N CA 1.475 54.384 53.050 -0.235 0.000 0.849 714 N CB -0.157 38.151 38.487 -0.299 0.000 1.002 714 N HN 0.288 nan 8.380 nan 0.000 0.425 715 I N -0.605 119.595 120.570 -0.617 0.000 2.480 715 I HA -0.061 4.109 4.170 0.001 0.000 0.251 715 I C 0.900 176.548 176.117 -0.781 0.000 1.124 715 I CA 1.185 61.990 61.300 -0.824 0.000 1.444 715 I CB -0.057 37.118 38.000 -1.375 0.000 1.098 715 I HN 0.096 nan 8.210 nan 0.000 0.428 716 F N -2.358 117.369 119.950 -0.373 0.000 2.717 716 F HA 0.106 4.634 4.527 0.001 0.000 0.295 716 F C 0.732 176.050 175.800 -0.803 0.000 1.117 716 F CA 0.260 57.913 58.000 -0.578 0.000 1.361 716 F CB 0.137 38.709 39.000 -0.712 0.000 1.112 716 F HN -0.063 nan 8.300 nan 0.000 0.594 717 Y N -0.596 119.712 120.300 0.014 0.000 2.721 717 Y HA 0.253 4.803 4.550 0.001 0.000 0.251 717 Y C -0.041 175.838 175.900 -0.034 0.000 1.136 717 Y CA -1.020 57.078 58.100 -0.002 0.000 1.142 717 Y CB -0.180 38.284 38.460 0.007 0.000 1.212 717 Y HN -0.081 nan 8.280 nan 0.000 0.565 718 E N -0.278 119.928 120.200 0.011 0.000 2.539 718 E HA -0.246 4.105 4.350 0.001 0.000 0.253 718 E C 1.385 177.981 176.600 -0.007 0.000 1.145 718 E CA 1.233 57.625 56.400 -0.014 0.000 0.738 718 E CB -1.574 28.132 29.700 0.009 0.000 1.308 718 E HN 0.743 nan 8.360 nan 0.000 0.409 719 G N -0.077 108.718 108.800 -0.010 0.000 2.341 719 G HA2 -0.382 3.579 3.960 0.001 0.000 0.292 719 G HA3 -0.382 3.579 3.960 0.001 0.000 0.292 719 G C 0.801 175.700 174.900 -0.002 0.000 1.021 719 G CA 1.124 46.214 45.100 -0.017 0.000 0.905 719 G HN 0.978 nan 8.290 nan 0.000 0.508 720 S N -1.882 113.833 115.700 0.026 0.000 2.535 720 S HA 0.471 4.941 4.470 0.001 0.000 0.214 720 S C 1.002 175.589 174.600 -0.022 0.000 0.980 720 S CA -0.086 58.117 58.200 0.006 0.000 0.907 720 S CB 0.375 63.592 63.200 0.029 0.000 0.790 720 S HN 0.292 nan 8.310 nan 0.000 0.510 721 L N 2.377 123.580 121.223 -0.033 0.000 2.452 721 L HA 0.473 4.813 4.340 0.001 0.000 0.267 721 L C 0.306 177.130 176.870 -0.077 0.000 1.188 721 L CA 0.739 55.531 54.840 -0.080 0.000 0.821 721 L CB 0.549 42.543 42.059 -0.107 0.000 1.102 721 L HN 0.405 nan 8.230 nan 0.000 0.470 722 Q N 1.518 121.255 119.800 -0.105 0.000 2.456 722 Q HA 0.502 4.842 4.340 0.001 0.000 0.283 722 Q C -1.268 174.631 176.000 -0.169 0.000 1.084 722 Q CA -0.923 54.813 55.803 -0.111 0.000 0.801 722 Q CB 2.140 30.820 28.738 -0.097 0.000 1.434 722 Q HN 0.494 nan 8.270 nan 0.000 0.419 723 N N 0.150 118.750 118.700 -0.167 0.000 2.408 723 N HA 0.241 4.981 4.740 0.001 0.000 0.280 723 N C -0.043 175.301 175.510 -0.278 0.000 1.002 723 N CA -0.149 52.769 53.050 -0.220 0.000 0.907 723 N CB 1.753 40.147 38.487 -0.156 0.000 1.161 723 N HN 0.892 nan 8.380 nan 0.000 0.488 724 G N 0.289 108.806 108.800 -0.471 0.000 3.042 724 G HA2 0.199 4.160 3.960 0.001 0.000 0.212 724 G HA3 0.199 4.160 3.960 0.001 0.000 0.212 724 G C 0.329 175.125 174.900 -0.173 0.000 1.166 724 G CA 0.029 44.856 45.100 -0.454 0.000 0.767 724 G HN 0.454 nan 8.290 nan 0.000 0.546 725 V N -1.571 118.238 119.914 -0.175 0.000 2.823 725 V HA 0.849 4.970 4.120 0.001 0.000 0.312 725 V C 0.003 176.004 176.094 -0.155 0.000 1.072 725 V CA -0.456 61.770 62.300 -0.123 0.000 0.937 725 V CB 1.205 32.955 31.823 -0.122 0.000 1.013 725 V HN 0.155 nan 8.190 nan 0.000 0.430 726 T N 0.572 115.035 114.554 -0.152 0.000 2.884 726 T HA 0.738 5.089 4.350 0.001 0.000 0.277 726 T C 1.362 175.881 174.700 -0.302 0.000 0.976 726 T CA -0.018 61.976 62.100 -0.178 0.000 0.956 726 T CB 1.550 70.347 68.868 -0.118 0.000 1.113 726 T HN 1.472 nan 8.240 nan 0.000 0.554 727 A N 0.421 123.025 122.820 -0.360 0.000 1.908 727 A HA 0.175 4.496 4.320 0.001 0.000 0.218 727 A C 2.526 179.875 177.584 -0.391 0.000 1.181 727 A CA 1.862 53.501 52.037 -0.663 0.000 0.627 727 A CB -1.528 17.265 19.000 -0.346 0.000 0.818 727 A HN 1.216 nan 8.150 nan 0.000 0.445 728 A N -0.887 121.831 122.820 -0.171 0.000 2.067 728 A HA -0.005 4.315 4.320 0.001 0.000 0.217 728 A C 1.661 179.218 177.584 -0.045 0.000 1.156 728 A CA 1.535 53.539 52.037 -0.056 0.000 0.683 728 A CB -0.426 18.564 19.000 -0.017 0.000 0.808 728 A HN 0.413 nan 8.150 nan 0.000 0.455 729 D N -0.364 119.975 120.400 -0.101 0.000 2.219 729 D HA -0.039 4.602 4.640 0.001 0.000 0.205 729 D C 0.840 177.066 176.300 -0.125 0.000 0.970 729 D CA 0.829 54.778 54.000 -0.085 0.000 0.851 729 D CB 0.124 40.862 40.800 -0.103 0.000 0.943 729 D HN 0.100 nan 8.370 nan 0.000 0.488 730 R N 0.208 120.570 120.500 -0.230 0.000 3.026 730 R HA 0.322 4.663 4.340 0.001 0.000 0.317 730 R C -1.153 175.134 176.300 -0.020 0.000 1.278 730 R CA -0.280 55.557 56.100 -0.439 0.000 1.407 730 R CB 1.113 31.056 30.300 -0.596 0.000 1.368 730 R HN -0.101 nan 8.270 nan 0.000 0.612 731 V N 1.491 121.572 119.914 0.279 0.000 2.525 731 V HA 0.251 4.372 4.120 0.001 0.000 0.299 731 V C -0.099 176.237 176.094 0.403 0.000 1.034 731 V CA -0.982 61.565 62.300 0.412 0.000 0.863 731 V CB 2.920 34.903 31.823 0.268 0.000 0.999 731 V HN 0.149 nan 8.190 nan 0.000 0.423 732 K N 4.406 125.004 120.400 0.330 0.000 2.319 732 K HA 0.324 4.644 4.320 0.001 0.000 0.265 732 K C 0.111 176.822 176.600 0.184 0.000 1.000 732 K CA -0.153 56.166 56.287 0.053 0.000 0.943 732 K CB 0.486 32.799 32.500 -0.311 0.000 0.950 732 K HN 0.639 nan 8.250 nan 0.000 0.485 733 K N 1.079 121.546 120.400 0.112 0.000 2.206 733 K HA 0.439 4.759 4.320 0.001 0.000 0.264 733 K C 0.364 177.055 176.600 0.151 0.000 0.967 733 K CA -0.274 56.094 56.287 0.135 0.000 0.844 733 K CB 1.172 33.725 32.500 0.088 0.000 1.099 733 K HN 0.633 nan 8.250 nan 0.000 0.441 734 G N 2.193 111.093 108.800 0.168 0.000 2.160 734 G HA2 -0.290 3.670 3.960 0.001 0.000 0.251 734 G HA3 -0.290 3.670 3.960 0.001 0.000 0.251 734 G C -0.726 174.322 174.900 0.247 0.000 1.008 734 G CA 0.062 45.259 45.100 0.161 0.000 0.724 734 G HN 0.609 nan 8.290 nan 0.000 0.514 735 F N 1.743 121.753 119.950 0.100 0.000 2.350 735 F HA 0.557 5.084 4.527 0.001 0.000 0.365 735 F C -0.061 175.823 175.800 0.140 0.000 1.122 735 F CA -2.131 55.942 58.000 0.122 0.000 1.139 735 F CB 1.020 40.127 39.000 0.178 0.000 1.220 735 F HN 0.010 nan 8.300 nan 0.000 0.499 736 D N 6.328 126.665 120.400 -0.104 0.000 2.970 736 D HA 0.105 4.745 4.640 0.001 0.000 0.282 736 D C -1.106 175.005 176.300 -0.314 0.000 1.291 736 D CA 0.307 54.217 54.000 -0.151 0.000 0.967 736 D CB -0.251 40.512 40.800 -0.061 0.000 1.017 736 D HN 0.287 nan 8.370 nan 0.000 0.512 737 F N 2.359 121.847 119.950 -0.770 0.000 2.382 737 F HA 0.227 4.755 4.527 0.002 0.000 0.361 737 F C -0.366 175.091 175.800 -0.572 0.000 1.109 737 F CA -0.981 56.530 58.000 -0.815 0.000 1.031 737 F CB 0.821 39.003 39.000 -1.364 0.000 1.234 737 F HN -0.007 nan 8.300 nan 0.000 0.445 738 Q N 4.721 124.114 119.800 -0.679 0.000 2.314 738 Q HA 0.270 4.611 4.340 0.001 0.000 0.257 738 Q C -1.485 174.199 176.000 -0.526 0.000 0.975 738 Q CA -0.621 54.947 55.803 -0.391 0.000 0.933 738 Q CB 0.806 29.394 28.738 -0.250 0.000 1.195 738 Q HN 0.615 nan 8.270 nan 0.000 0.426 739 W N 3.674 124.885 121.300 -0.148 0.000 2.237 739 W HA 0.251 4.911 4.660 -0.000 0.000 0.335 739 W C -1.468 174.947 176.519 -0.173 0.000 1.230 739 W CA -1.877 55.412 57.345 -0.094 0.000 1.253 739 W CB -0.024 29.517 29.460 0.134 0.000 1.129 739 W HN 0.586 nan 8.180 nan 0.000 0.590 740 P HA -0.195 nan 4.420 nan 0.000 0.216 740 P C 0.023 177.335 177.300 0.019 0.000 1.153 740 P CA 1.527 64.580 63.100 -0.077 0.000 0.858 740 P CB 0.275 31.895 31.700 -0.133 0.000 0.789 741 Q N -1.799 118.053 119.800 0.087 0.000 2.339 741 Q HA 0.256 4.597 4.340 0.001 0.000 0.268 741 Q C -2.001 174.054 176.000 0.091 0.000 1.027 741 Q CA -2.440 53.397 55.803 0.058 0.000 0.759 741 Q CB 1.251 29.995 28.738 0.010 0.000 1.244 741 Q HN -0.124 nan 8.270 nan 0.000 0.464 742 P HA -0.185 nan 4.420 nan 0.000 0.214 742 P C 0.152 177.486 177.300 0.057 0.000 1.169 742 P CA 1.268 64.442 63.100 0.124 0.000 0.908 742 P CB 0.335 32.096 31.700 0.101 0.000 0.791 743 D N -1.132 119.286 120.400 0.031 0.000 2.344 743 D HA 0.013 4.654 4.640 0.001 0.000 0.242 743 D C -0.357 175.881 176.300 -0.104 0.000 1.159 743 D CA 0.342 54.358 54.000 0.028 0.000 0.859 743 D CB -0.674 40.168 40.800 0.070 0.000 0.925 743 D HN 0.016 nan 8.370 nan 0.000 0.510 744 K N 0.289 120.562 120.400 -0.213 0.000 2.701 744 K HA 0.303 4.624 4.320 0.001 0.000 0.212 744 K C -2.556 173.748 176.600 -0.494 0.000 1.035 744 K CA -1.549 54.542 56.287 -0.327 0.000 1.048 744 K CB 2.042 34.431 32.500 -0.184 0.000 1.234 744 K HN -0.142 nan 8.250 nan 0.000 0.540 745 P HA 0.014 nan 4.420 nan 0.000 0.235 745 P C -0.969 175.762 177.300 -0.949 0.000 1.720 745 P CA 0.234 62.411 63.100 -1.538 0.000 1.003 745 P CB -0.268 30.748 31.700 -1.140 0.000 1.968 746 M N 0.479 119.921 119.600 -0.264 0.000 2.562 746 M HA 0.705 5.185 4.480 0.001 0.000 0.281 746 M C -1.836 174.801 176.300 0.561 0.000 1.195 746 M CA -1.125 54.275 55.300 0.168 0.000 0.888 746 M CB 2.137 34.715 32.600 -0.036 0.000 1.731 746 M HN -0.036 nan 8.290 nan 0.000 0.493 747 F N -0.351 119.868 119.950 0.450 0.000 2.704 747 F HA 0.620 5.148 4.527 0.002 0.000 0.312 747 F C -2.422 173.713 175.800 0.559 0.000 1.108 747 F CA -1.173 57.120 58.000 0.488 0.000 1.005 747 F CB 0.827 40.062 39.000 0.393 0.000 1.277 747 F HN 0.645 nan 8.300 nan 0.000 0.445 748 F N 4.520 124.829 119.950 0.597 0.000 2.404 748 F HA 0.390 4.917 4.527 0.000 0.000 0.359 748 F C -0.458 175.592 175.800 0.417 0.000 1.134 748 F CA -0.654 57.539 58.000 0.321 0.000 1.160 748 F CB 0.198 39.280 39.000 0.137 0.000 1.186 748 F HN 0.626 nan 8.300 nan 0.000 0.526 749 Y N 6.263 126.590 120.300 0.046 0.000 2.537 749 Y HA 0.278 4.828 4.550 0.000 0.000 0.339 749 Y C -0.365 175.568 175.900 0.055 0.000 1.066 749 Y CA -0.524 57.671 58.100 0.158 0.000 1.357 749 Y CB 0.452 38.975 38.460 0.105 0.000 1.175 749 Y HN 0.287 nan 8.280 nan 0.000 0.525 750 V N 7.135 126.996 119.914 -0.089 0.000 2.364 750 V HA 0.048 4.168 4.120 0.001 0.000 0.252 750 V C 0.273 176.196 176.094 -0.286 0.000 1.075 750 V CA 0.109 62.405 62.300 -0.008 0.000 1.033 750 V CB -0.285 31.562 31.823 0.041 0.000 1.116 750 V HN 0.796 nan 8.190 nan 0.000 0.488 751 T N 5.719 120.183 114.554 -0.152 0.000 2.762 751 T HA 0.285 4.636 4.350 0.001 0.000 0.303 751 T C 0.080 174.751 174.700 -0.049 0.000 0.977 751 T CA -0.296 61.736 62.100 -0.112 0.000 0.961 751 T CB 0.587 69.445 68.868 -0.018 0.000 0.944 751 T HN 0.662 nan 8.240 nan 0.000 0.481 752 Q N 2.200 121.967 119.800 -0.055 0.000 2.389 752 Q HA 0.576 4.917 4.340 0.001 0.000 0.244 752 Q C 0.457 176.438 176.000 -0.031 0.000 1.056 752 Q CA -0.251 55.531 55.803 -0.035 0.000 0.908 752 Q CB 1.045 29.762 28.738 -0.034 0.000 1.273 752 Q HN 0.821 nan 8.270 nan 0.000 0.471 753 G N 0.983 109.762 108.800 -0.035 0.000 2.692 753 G HA2 0.371 4.332 3.960 0.001 0.000 0.291 753 G HA3 0.371 4.332 3.960 0.001 0.000 0.291 753 G C -1.525 173.343 174.900 -0.053 0.000 1.423 753 G CA -0.551 44.524 45.100 -0.041 0.000 0.843 753 G HN 0.217 nan 8.290 nan 0.000 0.486 754 Q N 0.189 119.953 119.800 -0.059 0.000 2.230 754 Q HA 0.356 4.697 4.340 0.001 0.000 0.248 754 Q C -0.339 175.610 176.000 -0.085 0.000 0.915 754 Q CA -0.259 55.505 55.803 -0.064 0.000 0.900 754 Q CB 1.564 30.270 28.738 -0.055 0.000 1.229 754 Q HN 0.754 nan 8.270 nan 0.000 0.439 755 E N 1.192 121.346 120.200 -0.078 0.000 2.114 755 E HA 0.345 4.695 4.350 0.001 0.000 0.266 755 E C -0.443 176.142 176.600 -0.025 0.000 0.896 755 E CA -0.638 55.716 56.400 -0.077 0.000 0.750 755 E CB 1.174 30.809 29.700 -0.108 0.000 1.121 755 E HN 0.472 nan 8.360 nan 0.000 0.413 756 E N 3.696 123.859 120.200 -0.062 0.000 2.302 756 E HA 0.400 4.750 4.350 0.001 0.000 0.255 756 E C -0.354 176.179 176.600 -0.110 0.000 1.099 756 E CA -1.051 55.308 56.400 -0.068 0.000 0.929 756 E CB 1.071 30.713 29.700 -0.097 0.000 1.203 756 E HN 0.543 nan 8.360 nan 0.000 0.459 757 I N 1.390 121.853 120.570 -0.179 0.000 2.620 757 I HA 0.257 4.428 4.170 0.001 0.000 0.280 757 I C -0.052 175.951 176.117 -0.190 0.000 1.143 757 I CA -0.788 60.327 61.300 -0.309 0.000 1.163 757 I CB 0.807 38.553 38.000 -0.423 0.000 1.461 757 I HN 0.564 nan 8.210 nan 0.000 0.530 758 A N 3.228 125.961 122.820 -0.145 0.000 2.592 758 A HA -0.070 4.251 4.320 0.001 0.000 0.250 758 A C 0.946 178.493 177.584 -0.061 0.000 1.017 758 A CA 0.468 52.455 52.037 -0.083 0.000 0.794 758 A CB 0.063 19.033 19.000 -0.050 0.000 0.917 758 A HN 0.656 nan 8.150 nan 0.000 0.515 759 S N 2.162 117.838 115.700 -0.040 0.000 2.946 759 S HA 0.219 4.690 4.470 0.001 0.000 0.349 759 S C 1.301 175.893 174.600 -0.013 0.000 1.189 759 S CA 0.611 58.794 58.200 -0.028 0.000 1.285 759 S CB -0.653 62.539 63.200 -0.013 0.000 1.010 759 S HN 1.867 nan 8.310 nan 0.000 0.538 760 S N 3.226 118.911 115.700 -0.024 0.000 4.026 760 S HA 0.455 4.925 4.470 0.001 0.000 0.198 760 S C 0.758 175.348 174.600 -0.017 0.000 1.069 760 S CA 0.254 58.449 58.200 -0.008 0.000 1.200 760 S CB -0.177 63.026 63.200 0.004 0.000 1.385 760 S HN 1.204 nan 8.310 nan 0.000 0.449 761 G N 1.011 109.788 108.800 -0.038 0.000 2.609 761 G HA2 0.346 4.307 3.960 0.001 0.000 0.082 761 G HA3 0.346 4.307 3.960 0.001 0.000 0.082 761 G C -0.918 173.937 174.900 -0.075 0.000 1.075 761 G CA 0.399 45.475 45.100 -0.041 0.000 1.172 761 G HN 0.797 nan 8.290 nan 0.000 0.532 762 T N 0.591 115.116 114.554 -0.049 0.000 3.316 762 T HA 0.589 4.939 4.350 0.001 0.000 0.341 762 T C -0.573 174.109 174.700 -0.031 0.000 1.397 762 T CA 0.704 62.766 62.100 -0.063 0.000 1.085 762 T CB -0.607 68.260 68.868 -0.002 0.000 1.160 762 T HN 1.098 nan 8.240 nan 0.000 0.694 763 S N 3.290 118.913 115.700 -0.129 0.000 2.563 763 S HA 0.564 5.035 4.470 0.001 0.000 0.279 763 S C -1.600 172.865 174.600 -0.225 0.000 1.155 763 S CA -0.655 57.528 58.200 -0.029 0.000 0.928 763 S CB 0.703 63.939 63.200 0.061 0.000 1.107 763 S HN 0.554 nan 8.310 nan 0.000 0.462 764 Y N 3.236 123.409 120.300 -0.213 0.000 2.480 764 Y HA 0.807 5.358 4.550 0.001 0.000 0.323 764 Y C 0.324 176.022 175.900 -0.337 0.000 1.267 764 Y CA -0.828 57.029 58.100 -0.405 0.000 1.336 764 Y CB 1.114 39.105 38.460 -0.782 0.000 1.361 764 Y HN 0.710 nan 8.280 nan 0.000 0.518 765 L N -0.024 121.122 121.223 -0.129 0.000 2.643 765 L HA 0.512 4.853 4.340 0.001 0.000 0.257 765 L C -1.863 174.897 176.870 -0.183 0.000 0.922 765 L CA -0.937 53.818 54.840 -0.141 0.000 0.909 765 L CB 1.918 43.888 42.059 -0.147 0.000 1.424 765 L HN 0.494 nan 8.230 nan 0.000 0.422 766 N N 2.638 121.242 118.700 -0.160 0.000 2.500 766 N HA 0.264 5.004 4.740 0.001 0.000 0.236 766 N C 0.656 176.040 175.510 -0.209 0.000 1.022 766 N CA -0.169 52.786 53.050 -0.158 0.000 0.935 766 N CB 1.791 40.215 38.487 -0.104 0.000 1.147 766 N HN 0.893 nan 8.380 nan 0.000 0.512 767 R N 1.751 122.081 120.500 -0.284 0.000 2.091 767 R HA -0.096 4.245 4.340 0.001 0.000 0.238 767 R C 1.266 177.458 176.300 -0.180 0.000 1.136 767 R CA 1.980 57.864 56.100 -0.360 0.000 0.959 767 R CB 0.104 30.226 30.300 -0.298 0.000 0.856 767 R HN 0.445 nan 8.270 nan 0.000 0.437 768 T N -0.023 114.462 114.554 -0.115 0.000 2.857 768 T HA -0.101 4.249 4.350 0.001 0.000 0.266 768 T C 1.473 176.147 174.700 -0.043 0.000 1.048 768 T CA 1.215 63.279 62.100 -0.061 0.000 1.139 768 T CB -0.075 68.771 68.868 -0.036 0.000 0.874 768 T HN 0.380 nan 8.240 nan 0.000 0.455 769 E N 0.599 120.770 120.200 -0.047 0.000 2.150 769 E HA -0.026 4.325 4.350 0.001 0.000 0.193 769 E C 2.367 178.959 176.600 -0.013 0.000 0.985 769 E CA 0.701 57.093 56.400 -0.013 0.000 0.814 769 E CB -0.100 29.587 29.700 -0.021 0.000 0.752 769 E HN 0.465 nan 8.360 nan 0.000 0.466 770 A N 0.979 123.774 122.820 -0.043 0.000 1.972 770 A HA -0.094 4.226 4.320 0.001 0.000 0.219 770 A C 2.302 179.792 177.584 -0.156 0.000 1.169 770 A CA 1.530 53.541 52.037 -0.044 0.000 0.635 770 A CB -0.489 18.562 19.000 0.085 0.000 0.810 770 A HN 0.352 nan 8.150 nan 0.000 0.446 771 A N 0.330 123.014 122.820 -0.227 0.000 1.898 771 A HA -0.165 4.155 4.320 0.001 0.000 0.216 771 A C 1.942 179.562 177.584 0.059 0.000 1.181 771 A CA 1.543 53.522 52.037 -0.097 0.000 0.620 771 A CB -0.535 18.439 19.000 -0.045 0.000 0.819 771 A HN 0.583 nan 8.150 nan 0.000 0.442 772 N N 0.101 118.832 118.700 0.051 0.000 2.216 772 N HA -0.089 4.652 4.740 0.001 0.000 0.183 772 N C 1.700 177.217 175.510 0.011 0.000 1.017 772 N CA 1.453 54.549 53.050 0.077 0.000 0.861 772 N CB -0.257 38.354 38.487 0.207 0.000 0.986 772 N HN 0.269 nan 8.380 nan 0.000 0.428 773 V N 1.971 121.895 119.914 0.017 0.000 2.515 773 V HA -0.210 3.910 4.120 0.001 0.000 0.250 773 V C 2.523 178.617 176.094 0.000 0.000 1.058 773 V CA 1.752 64.052 62.300 -0.001 0.000 1.064 773 V CB -0.498 31.335 31.823 0.016 0.000 0.675 773 V HN 0.336 nan 8.190 nan 0.000 0.461 774 E N 1.227 121.444 120.200 0.029 0.000 2.077 774 E HA -0.247 4.103 4.350 0.001 0.000 0.193 774 E C 2.049 178.649 176.600 -0.000 0.000 0.989 774 E CA 1.776 58.179 56.400 0.004 0.000 0.800 774 E CB -0.386 29.395 29.700 0.135 0.000 0.746 774 E HN 0.544 nan 8.360 nan 0.000 0.452 775 K N 0.040 120.451 120.400 0.019 0.000 2.097 775 K HA -0.054 4.267 4.320 0.001 0.000 0.205 775 K C 2.047 178.642 176.600 -0.009 0.000 1.050 775 K CA 1.248 57.538 56.287 0.006 0.000 0.938 775 K CB -0.138 32.358 32.500 -0.006 0.000 0.718 775 K HN 0.201 nan 8.250 nan 0.000 0.442 776 I N 1.322 121.871 120.570 -0.034 0.000 2.226 776 I HA -0.215 3.956 4.170 0.001 0.000 0.245 776 I C 2.102 178.211 176.117 -0.013 0.000 1.100 776 I CA 1.648 62.933 61.300 -0.024 0.000 1.374 776 I CB -1.513 36.447 38.000 -0.067 0.000 1.057 776 I HN 0.154 nan 8.210 nan 0.000 0.413 777 T N 0.446 115.000 114.554 0.001 0.000 2.777 777 T HA -0.123 4.228 4.350 0.001 0.000 0.266 777 T C 1.914 176.672 174.700 0.097 0.000 1.040 777 T CA 1.872 63.995 62.100 0.040 0.000 1.141 777 T CB -0.323 68.585 68.868 0.067 0.000 0.868 777 T HN 0.323 nan 8.240 nan 0.000 0.444 778 T N 1.359 115.984 114.554 0.119 0.000 2.821 778 T HA -0.028 4.322 4.350 0.001 0.000 0.267 778 T C 1.958 176.697 174.700 0.066 0.000 1.046 778 T CA 1.027 63.212 62.100 0.141 0.000 1.139 778 T CB -0.090 68.854 68.868 0.127 0.000 0.871 778 T HN 0.354 nan 8.240 nan 0.000 0.454 779 K N 0.506 120.937 120.400 0.052 0.000 2.103 779 K HA 0.098 4.419 4.320 0.001 0.000 0.204 779 K C 2.108 178.746 176.600 0.064 0.000 1.052 779 K CA 0.728 57.061 56.287 0.077 0.000 0.945 779 K CB -0.151 32.432 32.500 0.139 0.000 0.722 779 K HN 0.259 nan 8.250 nan 0.000 0.443 780 L N 0.679 121.855 121.223 -0.078 0.000 2.093 780 L HA -0.158 4.183 4.340 0.001 0.000 0.208 780 L C 2.154 178.978 176.870 -0.076 0.000 1.085 780 L CA 0.938 55.619 54.840 -0.266 0.000 0.755 780 L CB -0.182 41.623 42.059 -0.423 0.000 0.904 780 L HN 0.185 nan 8.230 nan 0.000 0.435 781 L N -0.179 121.030 121.223 -0.024 0.000 2.095 781 L HA -0.151 4.190 4.340 0.001 0.000 0.204 781 L C 2.354 179.231 176.870 0.011 0.000 1.080 781 L CA 1.116 55.954 54.840 -0.003 0.000 0.759 781 L CB -0.361 41.695 42.059 -0.005 0.000 0.914 781 L HN 0.268 nan 8.230 nan 0.000 0.439 782 K N 0.322 120.730 120.400 0.013 0.000 2.525 782 K HA 0.105 4.426 4.320 0.001 0.000 0.192 782 K C 1.376 177.989 176.600 0.021 0.000 1.029 782 K CA 0.921 57.214 56.287 0.011 0.000 1.029 782 K CB 0.124 32.625 32.500 0.002 0.000 0.814 782 K HN 0.146 nan 8.250 nan 0.000 0.503 783 A N 0.203 123.048 122.820 0.043 0.000 2.252 783 A HA 0.510 4.831 4.320 0.001 0.000 0.213 783 A C 1.537 179.236 177.584 0.192 0.000 1.188 783 A CA 0.391 52.457 52.037 0.048 0.000 0.863 783 A CB 0.209 19.177 19.000 -0.053 0.000 0.893 783 A HN 0.526 nan 8.150 nan 0.000 0.495 784 G N -1.089 107.828 108.800 0.195 0.000 3.898 784 G HA2 0.290 4.250 3.960 0.001 0.000 0.196 784 G HA3 0.290 4.250 3.960 0.001 0.000 0.196 784 G C 0.631 175.581 174.900 0.083 0.000 1.322 784 G CA -0.019 45.191 45.100 0.183 0.000 0.942 784 G HN 1.391 nan 8.290 nan 0.000 0.400 785 A N 1.968 124.823 122.820 0.059 0.000 2.587 785 A HA 0.449 4.770 4.320 0.001 0.000 0.235 785 A C 0.593 178.172 177.584 -0.009 0.000 1.044 785 A CA 0.688 52.688 52.037 -0.060 0.000 0.754 785 A CB 0.131 19.020 19.000 -0.186 0.000 0.968 785 A HN 0.363 nan 8.150 nan 0.000 0.509 786 K N 2.980 123.382 120.400 0.004 0.000 2.237 786 K HA 0.237 4.557 4.320 0.001 0.000 0.270 786 K C -2.015 174.604 176.600 0.032 0.000 1.015 786 K CA -2.158 54.135 56.287 0.010 0.000 0.949 786 K CB -0.027 32.475 32.500 0.005 0.000 0.976 786 K HN 0.310 nan 8.250 nan 0.000 0.472 787 P HA -0.183 nan 4.420 nan 0.000 0.215 787 P C 0.651 177.993 177.300 0.070 0.000 1.157 787 P CA 1.382 64.508 63.100 0.042 0.000 0.868 787 P CB 0.129 31.839 31.700 0.017 0.000 0.788 788 D N -1.387 119.047 120.400 0.057 0.000 2.363 788 D HA -0.120 4.520 4.640 0.001 0.000 0.226 788 D C 0.958 177.308 176.300 0.084 0.000 1.020 788 D CA 0.713 54.754 54.000 0.067 0.000 0.892 788 D CB -0.384 40.443 40.800 0.044 0.000 0.900 788 D HN 0.144 nan 8.370 nan 0.000 0.531 789 Q N 0.230 120.085 119.800 0.091 0.000 2.188 789 Q HA 0.367 4.708 4.340 0.001 0.000 0.212 789 Q C -0.017 176.092 176.000 0.181 0.000 0.846 789 Q CA -0.177 55.691 55.803 0.108 0.000 0.989 789 Q CB 1.208 29.988 28.738 0.070 0.000 1.114 789 Q HN 0.444 nan 8.270 nan 0.000 0.488 790 I N 0.198 120.871 120.570 0.170 0.000 2.406 790 I HA 0.534 4.705 4.170 0.001 0.000 0.290 790 I C 0.125 176.345 176.117 0.171 0.000 0.999 790 I CA -0.956 60.453 61.300 0.181 0.000 1.124 790 I CB 2.242 40.322 38.000 0.134 0.000 1.289 790 I HN -0.072 nan 8.210 nan 0.000 0.441 791 G N 7.009 115.894 108.800 0.142 0.000 2.609 791 G HA2 0.717 4.677 3.960 0.001 0.000 0.308 791 G HA3 0.717 4.677 3.960 0.001 0.000 0.308 791 G C -0.922 173.987 174.900 0.014 0.000 1.369 791 G CA -0.411 44.780 45.100 0.152 0.000 0.958 791 G HN 0.467 nan 8.290 nan 0.000 0.499 792 I N 2.840 123.475 120.570 0.109 0.000 2.339 792 I HA 0.358 4.528 4.170 0.001 0.000 0.290 792 I C -0.280 175.885 176.117 0.080 0.000 0.994 792 I CA -0.523 60.816 61.300 0.064 0.000 1.191 792 I CB 1.567 39.632 38.000 0.108 0.000 1.343 792 I HN 0.192 nan 8.210 nan 0.000 0.458 793 I N 5.381 125.937 120.570 -0.022 0.000 2.378 793 I HA 0.430 4.601 4.170 0.001 0.000 0.291 793 I C 0.013 176.297 176.117 0.277 0.000 0.992 793 I CA -0.290 61.047 61.300 0.061 0.000 1.154 793 I CB 1.959 39.846 38.000 -0.187 0.000 1.315 793 I HN 0.485 nan 8.210 nan 0.000 0.448 794 T N 5.842 120.614 114.554 0.362 0.000 2.956 794 T HA 0.430 4.780 4.350 0.001 0.000 0.312 794 T C -2.375 172.440 174.700 0.191 0.000 1.151 794 T CA -1.641 60.675 62.100 0.360 0.000 1.024 794 T CB 2.162 71.175 68.868 0.242 0.000 1.140 794 T HN 0.231 nan 8.240 nan 0.000 0.473 795 P HA 0.130 nan 4.420 nan 0.000 0.225 795 P C -0.602 176.469 177.300 -0.383 0.000 1.156 795 P CA 0.731 63.599 63.100 -0.386 0.000 0.787 795 P CB -0.032 31.143 31.700 -0.875 0.000 0.802 796 Y N -0.946 119.359 120.300 0.010 0.000 2.387 796 Y HA 0.269 4.820 4.550 0.001 0.000 0.336 796 Y C 1.801 177.741 175.900 0.067 0.000 1.067 796 Y CA -0.742 57.386 58.100 0.045 0.000 1.114 796 Y CB 1.037 39.534 38.460 0.061 0.000 1.208 796 Y HN -0.264 nan 8.280 nan 0.000 0.458 797 E N 1.578 121.905 120.200 0.212 0.000 2.204 797 E HA -0.070 4.281 4.350 0.001 0.000 0.194 797 E C 2.092 178.781 176.600 0.148 0.000 0.989 797 E CA 1.546 58.035 56.400 0.148 0.000 0.824 797 E CB -0.235 29.531 29.700 0.111 0.000 0.756 797 E HN 0.957 nan 8.360 nan 0.000 0.477 798 G N -0.058 108.838 108.800 0.161 0.000 2.408 798 G HA2 -0.298 3.662 3.960 0.001 0.000 0.217 798 G HA3 -0.298 3.662 3.960 0.001 0.000 0.217 798 G C 1.640 176.621 174.900 0.135 0.000 1.150 798 G CA 0.769 45.937 45.100 0.113 0.000 0.776 798 G HN 0.307 nan 8.290 nan 0.000 0.542 799 Q N 0.203 120.098 119.800 0.157 0.000 2.123 799 Q HA 0.110 4.450 4.340 0.001 0.000 0.199 799 Q C 2.589 178.701 176.000 0.186 0.000 0.966 799 Q CA 0.948 56.850 55.803 0.166 0.000 0.845 799 Q CB -0.222 28.613 28.738 0.161 0.000 0.907 799 Q HN 0.415 nan 8.270 nan 0.000 0.439 800 R N -0.646 119.955 120.500 0.167 0.000 2.097 800 R HA -0.139 4.202 4.340 0.001 0.000 0.236 800 R C 2.382 178.749 176.300 0.112 0.000 1.135 800 R CA 1.891 58.074 56.100 0.138 0.000 0.934 800 R CB -0.398 29.979 30.300 0.128 0.000 0.846 800 R HN 0.255 nan 8.270 nan 0.000 0.431 801 S N -0.110 115.659 115.700 0.115 0.000 2.368 801 S HA -0.189 4.281 4.470 0.001 0.000 0.225 801 S C 1.646 176.298 174.600 0.088 0.000 1.030 801 S CA 1.229 59.481 58.200 0.087 0.000 0.999 801 S CB -0.492 62.767 63.200 0.098 0.000 0.844 801 S HN 0.392 nan 8.310 nan 0.000 0.459 802 Y N 1.903 122.218 120.300 0.025 0.000 2.274 802 Y HA -0.010 4.541 4.550 0.001 0.000 0.290 802 Y C 1.875 177.788 175.900 0.021 0.000 1.145 802 Y CA 0.980 59.096 58.100 0.026 0.000 1.203 802 Y CB -0.294 38.179 38.460 0.022 0.000 0.984 802 Y HN 0.143 nan 8.280 nan 0.000 0.533 803 L N -1.647 119.612 121.223 0.060 0.000 2.072 803 L HA -0.177 4.163 4.340 0.001 0.000 0.205 803 L C 2.296 179.122 176.870 -0.073 0.000 1.079 803 L CA 0.826 55.672 54.840 0.009 0.000 0.752 803 L CB -0.523 41.583 42.059 0.077 0.000 0.906 803 L HN 0.044 nan 8.230 nan 0.000 0.436 804 V N -0.372 119.502 119.914 -0.067 0.000 2.343 804 V HA -0.285 3.836 4.120 0.001 0.000 0.247 804 V C 2.451 178.402 176.094 -0.239 0.000 1.051 804 V CA 1.649 63.891 62.300 -0.097 0.000 1.036 804 V CB -0.542 31.250 31.823 -0.052 0.000 0.654 804 V HN 0.520 nan 8.190 nan 0.000 0.451 805 Q N -1.282 118.295 119.800 -0.372 0.000 2.172 805 Q HA -0.177 4.163 4.340 0.001 0.000 0.200 805 Q C 2.156 177.544 176.000 -1.021 0.000 0.964 805 Q CA 1.594 56.914 55.803 -0.806 0.000 0.855 805 Q CB -0.235 27.995 28.738 -0.847 0.000 0.918 805 Q HN 0.779 nan 8.270 nan 0.000 0.444 806 Y N 0.856 120.702 120.300 -0.757 0.000 2.337 806 Y HA 0.042 4.592 4.550 0.001 0.000 0.293 806 Y C 1.096 176.784 175.900 -0.354 0.000 1.123 806 Y CA 0.626 58.394 58.100 -0.553 0.000 1.201 806 Y CB 0.235 38.305 38.460 -0.650 0.000 1.011 806 Y HN -0.064 nan 8.280 nan 0.000 0.545 807 M N 1.578 120.964 119.600 -0.356 0.000 3.586 807 M HA 0.136 4.617 4.480 0.001 0.000 0.225 807 M C 0.466 176.623 176.300 -0.238 0.000 1.428 807 M CA 0.706 55.733 55.300 -0.455 0.000 1.613 807 M CB 0.177 32.480 32.600 -0.495 0.000 1.063 807 M HN 0.549 nan 8.290 nan 0.000 0.593 808 Q N -0.714 118.948 119.800 -0.230 0.000 2.711 808 Q HA -0.065 4.275 4.340 0.001 0.000 0.183 808 Q C 0.449 176.445 176.000 -0.008 0.000 0.622 808 Q CA -0.111 55.637 55.803 -0.091 0.000 0.891 808 Q CB -0.295 28.341 28.738 -0.169 0.000 0.963 808 Q HN 0.284 nan 8.270 nan 0.000 0.332 809 F N 2.730 122.590 119.950 -0.150 0.000 2.045 809 F HA -0.096 4.431 4.527 0.001 0.000 0.297 809 F C 1.478 177.176 175.800 -0.170 0.000 1.114 809 F CA 2.094 60.010 58.000 -0.140 0.000 1.207 809 F CB -0.462 38.450 39.000 -0.147 0.000 0.964 809 F HN 0.363 nan 8.300 nan 0.000 0.486 810 S N -1.498 114.139 115.700 -0.106 0.000 2.606 810 S HA 0.581 5.052 4.470 0.001 0.000 0.156 810 S C -0.127 174.262 174.600 -0.353 0.000 1.308 810 S CA -0.316 57.772 58.200 -0.188 0.000 1.228 810 S CB 0.155 63.271 63.200 -0.140 0.000 1.568 810 S HN 0.339 nan 8.310 nan 0.000 0.397 811 G N 0.583 109.234 108.800 -0.248 0.000 2.522 811 G HA2 0.503 4.463 3.960 0.001 0.000 0.304 811 G HA3 0.503 4.463 3.960 0.001 0.000 0.304 811 G C 0.612 175.486 174.900 -0.043 0.000 1.210 811 G CA -0.270 44.712 45.100 -0.198 0.000 0.960 811 G HN 0.442 nan 8.290 nan 0.000 0.497 812 S N -1.184 114.537 115.700 0.035 0.000 2.478 812 S HA 0.237 4.707 4.470 0.001 0.000 0.222 812 S C 0.931 175.520 174.600 -0.018 0.000 1.008 812 S CA 0.133 58.346 58.200 0.021 0.000 0.928 812 S CB -0.414 62.810 63.200 0.039 0.000 0.781 812 S HN 0.350 nan 8.310 nan 0.000 0.518 813 L N 0.339 121.592 121.223 0.051 0.000 2.230 813 L HA 0.539 4.879 4.340 0.001 0.000 0.255 813 L C -0.120 176.634 176.870 -0.194 0.000 1.039 813 L CA -1.413 53.308 54.840 -0.198 0.000 0.846 813 L CB 0.688 42.598 42.059 -0.249 0.000 1.419 813 L HN 0.127 nan 8.230 nan 0.000 0.435 814 H N -0.507 118.520 119.070 -0.072 0.000 2.671 814 H HA 0.076 4.633 4.556 0.001 0.000 0.372 814 H C 0.395 175.682 175.328 -0.067 0.000 1.227 814 H CA -0.039 55.984 56.048 -0.042 0.000 1.426 814 H CB 0.792 30.525 29.762 -0.048 0.000 1.480 814 H HN 0.534 nan 8.280 nan 0.000 0.611 815 T N 1.405 116.049 114.554 0.150 0.000 3.163 815 T HA -0.044 4.307 4.350 0.001 0.000 0.260 815 T C 1.716 176.454 174.700 0.062 0.000 1.156 815 T CA 0.481 62.658 62.100 0.128 0.000 1.072 815 T CB 0.176 69.111 68.868 0.110 0.000 0.937 815 T HN 0.324 nan 8.240 nan 0.000 0.528 816 K N 0.877 121.284 120.400 0.012 0.000 2.137 816 K HA 0.162 4.482 4.320 0.001 0.000 0.202 816 K C 2.020 178.579 176.600 -0.069 0.000 1.052 816 K CA 0.406 56.686 56.287 -0.013 0.000 0.961 816 K CB -0.275 32.216 32.500 -0.015 0.000 0.741 816 K HN 0.279 nan 8.250 nan 0.000 0.452 817 L N 0.107 121.212 121.223 -0.196 0.000 2.046 817 L HA -0.158 4.182 4.340 0.001 0.000 0.208 817 L C 2.232 178.972 176.870 -0.217 0.000 1.077 817 L CA 1.809 56.476 54.840 -0.288 0.000 0.747 817 L CB -1.397 40.346 42.059 -0.526 0.000 0.896 817 L HN 0.200 nan 8.230 nan 0.000 0.432 818 Y N -0.808 119.501 120.300 0.015 0.000 2.475 818 Y HA -0.060 4.490 4.550 0.001 0.000 0.289 818 Y C 2.704 178.616 175.900 0.020 0.000 1.121 818 Y CA 0.020 58.127 58.100 0.012 0.000 1.257 818 Y CB -0.132 38.323 38.460 -0.008 0.000 1.026 818 Y HN 0.237 nan 8.280 nan 0.000 0.555 819 Q N 0.689 120.571 119.800 0.138 0.000 2.181 819 Q HA -0.220 4.121 4.340 0.001 0.000 0.205 819 Q C 1.409 177.460 176.000 0.085 0.000 0.980 819 Q CA 1.583 57.447 55.803 0.102 0.000 0.862 819 Q CB -0.022 28.765 28.738 0.082 0.000 0.905 819 Q HN 0.653 nan 8.270 nan 0.000 0.429 820 E N -0.457 119.785 120.200 0.070 0.000 2.318 820 E HA 0.010 4.360 4.350 0.001 0.000 0.193 820 E C 0.019 176.671 176.600 0.086 0.000 0.998 820 E CA -0.107 56.330 56.400 0.061 0.000 0.859 820 E CB 0.534 30.255 29.700 0.036 0.000 0.812 820 E HN 0.017 nan 8.360 nan 0.000 0.492 821 V N 2.693 122.677 119.914 0.117 0.000 2.485 821 V HA -0.029 4.092 4.120 0.001 0.000 0.287 821 V C 0.280 176.459 176.094 0.142 0.000 1.022 821 V CA 0.411 62.796 62.300 0.142 0.000 1.067 821 V CB 0.654 32.582 31.823 0.175 0.000 0.967 821 V HN 0.136 nan 8.190 nan 0.000 0.479 822 E N 5.075 125.376 120.200 0.168 0.000 2.167 822 E HA 0.483 4.834 4.350 0.001 0.000 0.284 822 E C -0.905 175.853 176.600 0.265 0.000 1.016 822 E CA -0.419 56.086 56.400 0.174 0.000 0.817 822 E CB 0.807 30.597 29.700 0.150 0.000 1.080 822 E HN 0.611 nan 8.360 nan 0.000 0.397 823 I N 3.593 124.279 120.570 0.194 0.000 2.433 823 I HA 0.687 4.858 4.170 0.001 0.000 0.292 823 I C -0.185 176.061 176.117 0.215 0.000 1.001 823 I CA -0.443 60.991 61.300 0.224 0.000 1.119 823 I CB 1.766 39.854 38.000 0.147 0.000 1.289 823 I HN 0.578 nan 8.210 nan 0.000 0.438 824 A N 3.700 126.720 122.820 0.333 0.000 2.540 824 A HA 0.693 5.013 4.320 0.001 0.000 0.291 824 A C -0.560 177.228 177.584 0.341 0.000 1.083 824 A CA -0.570 51.627 52.037 0.267 0.000 0.650 824 A CB 1.120 20.180 19.000 0.101 0.000 1.292 824 A HN 0.676 nan 8.150 nan 0.000 0.435 825 S N -0.367 115.482 115.700 0.248 0.000 2.634 825 S HA 0.412 4.882 4.470 0.001 0.000 0.261 825 S C 1.469 176.272 174.600 0.339 0.000 1.271 825 S CA 0.007 58.358 58.200 0.252 0.000 0.985 825 S CB 0.606 63.890 63.200 0.140 0.000 0.968 825 S HN 2.044 nan 8.310 nan 0.000 0.568 826 V N -1.394 118.705 119.914 0.307 0.000 2.469 826 V HA -0.181 3.939 4.120 0.001 0.000 0.251 826 V C 1.626 177.859 176.094 0.232 0.000 1.064 826 V CA 2.201 64.669 62.300 0.280 0.000 1.066 826 V CB -1.659 30.295 31.823 0.219 0.000 0.667 826 V HN 0.801 nan 8.190 nan 0.000 0.461 827 D N 2.096 122.592 120.400 0.160 0.000 2.126 827 D HA -0.160 4.481 4.640 0.001 0.000 0.190 827 D C 2.215 178.561 176.300 0.078 0.000 1.001 827 D CA 2.284 56.342 54.000 0.097 0.000 0.841 827 D CB -0.520 40.320 40.800 0.067 0.000 0.949 827 D HN 0.607 nan 8.370 nan 0.000 0.446 828 A N -0.717 122.139 122.820 0.059 0.000 2.121 828 A HA -0.068 4.253 4.320 0.001 0.000 0.218 828 A C 1.439 178.921 177.584 -0.170 0.000 1.154 828 A CA 0.772 52.766 52.037 -0.072 0.000 0.679 828 A CB -0.571 18.342 19.000 -0.144 0.000 0.795 828 A HN 0.206 nan 8.150 nan 0.000 0.458 829 F N -0.298 119.671 119.950 0.032 0.000 2.727 829 F HA 0.163 4.691 4.527 0.001 0.000 0.302 829 F C 1.199 177.006 175.800 0.011 0.000 1.097 829 F CA -0.127 57.888 58.000 0.024 0.000 1.330 829 F CB 0.232 39.248 39.000 0.027 0.000 1.084 829 F HN 0.109 nan 8.300 nan 0.000 0.578 830 Q N 0.516 120.401 119.800 0.142 0.000 2.361 830 Q HA 0.180 4.520 4.340 0.001 0.000 0.276 830 Q C 1.264 177.296 176.000 0.054 0.000 1.022 830 Q CA 1.122 56.974 55.803 0.081 0.000 0.898 830 Q CB 0.728 29.493 28.738 0.044 0.000 1.246 830 Q HN 0.591 nan 8.270 nan 0.000 0.410 831 G N 3.086 111.910 108.800 0.041 0.000 2.160 831 G HA2 -0.291 3.669 3.960 0.001 0.000 0.251 831 G HA3 -0.291 3.669 3.960 0.001 0.000 0.251 831 G C 0.054 174.976 174.900 0.037 0.000 1.008 831 G CA 0.642 45.757 45.100 0.024 0.000 0.724 831 G HN 0.545 nan 8.290 nan 0.000 0.514 832 R N -0.459 120.085 120.500 0.072 0.000 2.817 832 R HA 0.713 5.054 4.340 0.001 0.000 0.268 832 R C -0.490 175.883 176.300 0.122 0.000 1.027 832 R CA -0.587 55.570 56.100 0.095 0.000 0.928 832 R CB 1.594 31.962 30.300 0.113 0.000 1.228 832 R HN 0.491 nan 8.270 nan 0.000 0.469 833 E N 0.981 121.252 120.200 0.118 0.000 2.413 833 E HA 0.528 4.879 4.350 0.001 0.000 0.277 833 E C -1.244 175.420 176.600 0.106 0.000 0.958 833 E CA -1.170 55.284 56.400 0.091 0.000 0.779 833 E CB 2.314 32.039 29.700 0.042 0.000 1.278 833 E HN 0.163 nan 8.360 nan 0.000 0.456 834 K N 0.881 121.323 120.400 0.070 0.000 2.495 834 K HA 0.246 4.566 4.320 0.001 0.000 0.268 834 K C -0.322 176.276 176.600 -0.004 0.000 1.008 834 K CA -0.755 55.571 56.287 0.065 0.000 0.882 834 K CB 1.492 34.059 32.500 0.111 0.000 1.443 834 K HN 0.483 nan 8.250 nan 0.000 0.447 835 D N 0.195 120.568 120.400 -0.046 0.000 2.144 835 D HA 0.025 4.665 4.640 0.001 0.000 0.200 835 D C -0.048 175.903 176.300 -0.582 0.000 0.978 835 D CA 1.471 55.307 54.000 -0.274 0.000 0.833 835 D CB 0.116 40.658 40.800 -0.430 0.000 0.961 835 D HN 0.239 nan 8.370 nan 0.000 0.470 836 F N -0.217 119.773 119.950 0.068 0.000 2.569 836 F HA 0.417 4.944 4.527 0.000 0.000 0.312 836 F C -0.212 175.594 175.800 0.010 0.000 1.109 836 F CA -1.022 57.014 58.000 0.062 0.000 0.919 836 F CB 2.305 41.327 39.000 0.037 0.000 1.211 836 F HN -0.349 nan 8.300 nan 0.000 0.446 837 I N 4.449 125.122 120.570 0.172 0.000 2.499 837 I HA 0.417 4.588 4.170 0.001 0.000 0.288 837 I C -0.675 175.445 176.117 0.005 0.000 1.048 837 I CA -0.637 60.668 61.300 0.008 0.000 1.062 837 I CB 2.060 40.005 38.000 -0.091 0.000 1.238 837 I HN 0.508 nan 8.210 nan 0.000 0.426 838 I N 6.486 127.036 120.570 -0.034 0.000 2.354 838 I HA 0.272 4.442 4.170 0.001 0.000 0.286 838 I C -0.429 175.651 176.117 -0.060 0.000 1.007 838 I CA -0.858 60.415 61.300 -0.045 0.000 1.167 838 I CB 1.563 39.547 38.000 -0.026 0.000 1.320 838 I HN 0.217 nan 8.210 nan 0.000 0.458 839 L N 5.075 126.251 121.223 -0.079 0.000 2.331 839 L HA 0.247 4.588 4.340 0.001 0.000 0.278 839 L C 0.532 177.438 176.870 0.061 0.000 1.106 839 L CA 0.543 55.353 54.840 -0.049 0.000 0.824 839 L CB 1.377 43.364 42.059 -0.119 0.000 1.142 839 L HN 0.531 nan 8.230 nan 0.000 0.443 840 S N 2.921 118.745 115.700 0.205 0.000 2.622 840 S HA 0.324 4.795 4.470 0.001 0.000 0.283 840 S C -0.539 174.222 174.600 0.268 0.000 1.197 840 S CA -0.820 57.483 58.200 0.172 0.000 1.146 840 S CB -0.118 63.158 63.200 0.126 0.000 1.007 840 S HN 0.686 nan 8.310 nan 0.000 0.478 841 C N 4.477 123.896 119.300 0.199 0.000 2.116 841 C HA 0.365 4.825 4.460 0.001 0.000 0.367 841 C C 2.013 176.980 174.990 -0.039 0.000 1.039 841 C CA -0.904 58.139 59.018 0.041 0.000 1.465 841 C CB -1.555 26.154 27.740 -0.051 0.000 1.783 841 C HN 0.767 nan 8.230 nan 0.000 0.470 842 V N 0.039 119.966 119.914 0.021 0.000 2.867 842 V HA 0.013 4.133 4.120 0.001 0.000 0.260 842 V C 0.967 176.977 176.094 -0.139 0.000 1.099 842 V CA 1.715 63.984 62.300 -0.051 0.000 1.122 842 V CB -0.700 31.075 31.823 -0.080 0.000 0.708 842 V HN 0.958 nan 8.190 nan 0.000 0.490 851 G N 1.910 110.588 108.800 -0.202 0.000 2.512 851 G HA2 -0.275 3.685 3.960 0.001 0.000 0.254 851 G HA3 -0.275 3.685 3.960 0.001 0.000 0.254 851 G C -0.085 174.783 174.900 -0.054 0.000 1.199 851 G CA 0.791 45.776 45.100 -0.191 0.000 0.941 851 G HN 2.012 nan 8.290 nan 0.000 0.569 852 F N 0.690 120.673 119.950 0.056 0.000 2.769 852 F HA 0.517 5.044 4.527 0.001 0.000 0.304 852 F C 1.653 177.649 175.800 0.328 0.000 1.158 852 F CA 0.852 58.943 58.000 0.152 0.000 1.398 852 F CB -0.494 38.599 39.000 0.156 0.000 1.094 852 F HN 0.487 nan 8.300 nan 0.000 0.553 853 L N -2.999 118.361 121.223 0.228 0.000 2.858 853 L HA 0.538 4.879 4.340 0.001 0.000 0.251 853 L C 0.814 177.843 176.870 0.265 0.000 1.149 853 L CA 0.320 55.417 54.840 0.429 0.000 0.955 853 L CB -0.851 41.242 42.059 0.057 0.000 1.289 853 L HN -0.048 nan 8.230 nan 0.000 0.542 854 N N -0.638 118.157 118.700 0.157 0.000 2.672 854 N HA 0.048 4.788 4.740 0.001 0.000 0.229 854 N C -0.080 175.502 175.510 0.120 0.000 1.043 854 N CA 0.202 53.320 53.050 0.113 0.000 0.932 854 N CB 0.446 38.962 38.487 0.048 0.000 1.500 854 N HN 0.244 nan 8.380 nan 0.000 0.445 855 D N 0.609 121.076 120.400 0.112 0.000 2.312 855 D HA 0.160 4.800 4.640 0.001 0.000 0.252 855 D C -1.742 174.632 176.300 0.124 0.000 1.150 855 D CA -1.977 52.081 54.000 0.096 0.000 0.870 855 D CB 1.601 42.442 40.800 0.068 0.000 1.153 855 D HN 0.044 nan 8.370 nan 0.000 0.457 856 P HA -0.103 nan 4.420 nan 0.000 0.215 856 P C 1.099 178.420 177.300 0.034 0.000 1.153 856 P CA 1.202 64.428 63.100 0.209 0.000 0.853 856 P CB 0.299 32.139 31.700 0.232 0.000 0.788 857 R N -0.701 119.772 120.500 -0.046 0.000 2.115 857 R HA 0.007 4.348 4.340 0.001 0.000 0.226 857 R C 2.415 178.628 176.300 -0.145 0.000 1.100 857 R CA 0.930 56.924 56.100 -0.178 0.000 0.980 857 R CB -0.367 29.876 30.300 -0.094 0.000 0.875 857 R HN 0.208 nan 8.270 nan 0.000 0.445 858 R N 0.320 120.808 120.500 -0.020 0.000 2.092 858 R HA -0.085 4.256 4.340 0.001 0.000 0.231 858 R C 2.172 178.516 176.300 0.072 0.000 1.119 858 R CA 0.843 56.977 56.100 0.057 0.000 0.970 858 R CB -0.311 30.073 30.300 0.141 0.000 0.864 858 R HN 0.087 nan 8.270 nan 0.000 0.440 859 L N 1.574 122.841 121.223 0.073 0.000 2.056 859 L HA -0.158 4.182 4.340 0.001 0.000 0.207 859 L C 1.861 178.651 176.870 -0.133 0.000 1.078 859 L CA 1.756 56.629 54.840 0.055 0.000 0.749 859 L CB -0.794 41.342 42.059 0.128 0.000 0.901 859 L HN 0.210 nan 8.230 nan 0.000 0.433 860 N N -0.828 117.574 118.700 -0.496 0.000 2.069 860 N HA -0.193 4.547 4.740 0.001 0.000 0.191 860 N C 1.759 177.103 175.510 -0.277 0.000 1.031 860 N CA 1.923 54.526 53.050 -0.745 0.000 0.852 860 N CB 0.018 37.669 38.487 -1.393 0.000 1.018 860 N HN 0.292 nan 8.380 nan 0.000 0.423 861 V N 1.500 121.290 119.914 -0.207 0.000 2.343 861 V HA -0.181 3.940 4.120 0.001 0.000 0.247 861 V C 2.548 178.589 176.094 -0.089 0.000 1.051 861 V CA 1.865 64.108 62.300 -0.097 0.000 1.036 861 V CB -0.909 30.887 31.823 -0.045 0.000 0.654 861 V HN 0.469 nan 8.190 nan 0.000 0.451 862 A N -0.513 122.235 122.820 -0.120 0.000 2.019 862 A HA -0.060 4.260 4.320 0.001 0.000 0.219 862 A C 1.991 179.454 177.584 -0.201 0.000 1.164 862 A CA 1.400 53.304 52.037 -0.222 0.000 0.644 862 A CB -0.396 18.349 19.000 -0.425 0.000 0.805 862 A HN 0.554 nan 8.150 nan 0.000 0.449 863 L N -0.230 120.921 121.223 -0.119 0.000 2.628 863 L HA 0.079 4.420 4.340 0.001 0.000 0.229 863 L C 1.267 178.136 176.870 -0.001 0.000 1.137 863 L CA 0.905 55.720 54.840 -0.042 0.000 0.909 863 L CB 0.090 42.177 42.059 0.046 0.000 1.137 863 L HN 0.495 nan 8.230 nan 0.000 0.470 864 T N -5.778 108.758 114.554 -0.029 0.000 3.231 864 T HA 0.197 4.547 4.350 0.001 0.000 0.292 864 T C 1.497 176.180 174.700 -0.029 0.000 1.001 864 T CA -0.528 61.565 62.100 -0.012 0.000 0.920 864 T CB 0.205 69.075 68.868 0.003 0.000 1.140 864 T HN -0.033 nan 8.240 nan 0.000 0.525 865 R N 1.649 122.117 120.500 -0.054 0.000 2.200 865 R HA 0.461 4.802 4.340 0.001 0.000 0.208 865 R C 1.149 177.423 176.300 -0.044 0.000 1.033 865 R CA 0.417 56.487 56.100 -0.050 0.000 1.000 865 R CB -0.608 29.617 30.300 -0.124 0.000 0.906 865 R HN 0.569 nan 8.270 nan 0.000 0.462 866 A N 0.741 123.529 122.820 -0.052 0.000 2.316 866 A HA 0.411 4.731 4.320 0.001 0.000 0.284 866 A C 0.909 178.449 177.584 -0.073 0.000 1.115 866 A CA -0.354 51.651 52.037 -0.053 0.000 0.812 866 A CB 1.087 20.067 19.000 -0.032 0.000 1.064 866 A HN 0.110 nan 8.150 nan 0.000 0.489 867 R N 0.094 120.531 120.500 -0.105 0.000 2.102 867 R HA 0.113 4.453 4.340 0.001 0.000 0.208 867 R C 0.810 176.920 176.300 -0.316 0.000 1.131 867 R CA 1.075 57.066 56.100 -0.182 0.000 1.054 867 R CB -0.053 30.179 30.300 -0.114 0.000 0.954 867 R HN 0.860 nan 8.270 nan 0.000 0.465 868 Y N -0.983 119.119 120.300 -0.331 0.000 2.524 868 Y HA 0.367 4.918 4.550 0.000 0.000 0.270 868 Y C 0.812 176.612 175.900 -0.167 0.000 1.094 868 Y CA 0.466 58.384 58.100 -0.304 0.000 1.276 868 Y CB 1.354 39.453 38.460 -0.600 0.000 1.130 868 Y HN 0.106 nan 8.280 nan 0.000 0.536 869 G N -0.486 108.324 108.800 0.016 0.000 2.655 869 G HA2 0.427 4.387 3.960 0.001 0.000 0.296 869 G HA3 0.427 4.387 3.960 0.001 0.000 0.296 869 G C -2.288 172.771 174.900 0.265 0.000 1.485 869 G CA -0.558 44.636 45.100 0.156 0.000 0.869 869 G HN -0.098 nan 8.290 nan 0.000 0.540 870 V N 2.241 122.255 119.914 0.167 0.000 2.715 870 V HA 0.907 5.028 4.120 0.001 0.000 0.310 870 V C -0.694 175.495 176.094 0.158 0.000 1.054 870 V CA -1.059 61.328 62.300 0.146 0.000 0.928 870 V CB 1.536 33.410 31.823 0.085 0.000 1.007 870 V HN 1.102 nan 8.190 nan 0.000 0.437 871 I N 6.564 127.151 120.570 0.029 0.000 2.534 871 I HA 0.575 4.745 4.170 0.001 0.000 0.286 871 I C -1.316 174.697 176.117 -0.173 0.000 1.094 871 I CA -0.479 60.699 61.300 -0.203 0.000 1.055 871 I CB 1.446 39.193 38.000 -0.421 0.000 1.225 871 I HN 0.644 nan 8.210 nan 0.000 0.435 872 I N 7.322 127.793 120.570 -0.165 0.000 2.437 872 I HA 0.517 4.687 4.170 0.001 0.000 0.298 872 I C -0.693 175.099 176.117 -0.542 0.000 0.984 872 I CA -1.008 60.159 61.300 -0.222 0.000 1.214 872 I CB 1.858 39.846 38.000 -0.019 0.000 1.365 872 I HN 0.265 nan 8.210 nan 0.000 0.469 873 V N 4.493 124.136 119.914 -0.452 0.000 2.483 873 V HA 0.914 5.035 4.120 0.001 0.000 0.297 873 V C 0.214 176.086 176.094 -0.369 0.000 1.027 873 V CA -0.288 61.776 62.300 -0.393 0.000 0.855 873 V CB 1.092 32.857 31.823 -0.097 0.000 0.995 873 V HN 1.060 nan 8.190 nan 0.000 0.424 874 G N 3.069 111.619 108.800 -0.416 0.000 2.428 874 G HA2 0.286 4.246 3.960 0.001 0.000 0.304 874 G HA3 0.286 4.246 3.960 0.001 0.000 0.304 874 G C -1.810 173.195 174.900 0.175 0.000 1.303 874 G CA -0.606 44.463 45.100 -0.051 0.000 0.825 874 G HN 0.521 nan 8.290 nan 0.000 0.484 875 N N 0.760 119.546 118.700 0.143 0.000 2.511 875 N HA 0.396 5.137 4.740 0.001 0.000 0.249 875 N C -1.807 173.729 175.510 0.044 0.000 0.971 875 N CA -1.782 51.318 53.050 0.083 0.000 0.938 875 N CB 2.536 41.017 38.487 -0.009 0.000 1.131 875 N HN -0.026 nan 8.380 nan 0.000 0.505 876 P HA -0.121 nan 4.420 nan 0.000 0.216 876 P C 1.067 178.314 177.300 -0.089 0.000 1.150 876 P CA 1.190 64.205 63.100 -0.140 0.000 0.837 876 P CB 0.462 32.066 31.700 -0.160 0.000 0.786 877 K N -0.211 120.158 120.400 -0.051 0.000 2.057 877 K HA -0.048 4.273 4.320 0.001 0.000 0.207 877 K C 2.081 178.653 176.600 -0.047 0.000 1.049 877 K CA 1.771 58.033 56.287 -0.041 0.000 0.931 877 K CB -1.371 31.111 32.500 -0.031 0.000 0.714 877 K HN 0.116 nan 8.250 nan 0.000 0.440 878 A N 1.305 124.089 122.820 -0.061 0.000 1.898 878 A HA 0.001 4.322 4.320 0.001 0.000 0.214 878 A C 2.349 179.876 177.584 -0.095 0.000 1.183 878 A CA 0.769 52.760 52.037 -0.077 0.000 0.622 878 A CB -0.574 18.369 19.000 -0.095 0.000 0.824 878 A HN 0.161 nan 8.150 nan 0.000 0.444 879 L N -0.126 121.016 121.223 -0.135 0.000 2.191 879 L HA -0.131 4.209 4.340 0.001 0.000 0.212 879 L C 2.623 179.480 176.870 -0.020 0.000 1.103 879 L CA 1.101 55.828 54.840 -0.188 0.000 0.769 879 L CB -0.357 41.482 42.059 -0.367 0.000 0.908 879 L HN 0.278 nan 8.230 nan 0.000 0.438 880 S N -0.346 115.348 115.700 -0.009 0.000 2.419 880 S HA -0.214 4.257 4.470 0.001 0.000 0.235 880 S C 1.987 176.619 174.600 0.055 0.000 1.019 880 S CA 1.127 59.351 58.200 0.039 0.000 0.982 880 S CB -0.174 63.031 63.200 0.008 0.000 0.789 880 S HN 0.346 nan 8.310 nan 0.000 0.490 881 K N 1.030 121.448 120.400 0.029 0.000 2.044 881 K HA -0.126 4.194 4.320 0.001 0.000 0.210 881 K C 0.184 176.824 176.600 0.066 0.000 1.049 881 K CA 0.998 57.304 56.287 0.032 0.000 0.927 881 K CB -0.087 32.417 32.500 0.007 0.000 0.713 881 K HN 0.309 nan 8.250 nan 0.000 0.443 882 Q N 0.875 120.738 119.800 0.106 0.000 2.271 882 Q HA 0.036 4.376 4.340 0.001 0.000 0.273 882 Q C -1.996 174.115 176.000 0.185 0.000 1.051 882 Q CA -1.548 54.357 55.803 0.169 0.000 0.901 882 Q CB 0.890 29.802 28.738 0.289 0.000 1.174 882 Q HN 0.164 nan 8.270 nan 0.000 0.385 883 P HA -0.165 nan 4.420 nan 0.000 0.215 883 P C 1.101 178.480 177.300 0.132 0.000 1.153 883 P CA 0.956 64.114 63.100 0.097 0.000 0.853 883 P CB 0.228 31.955 31.700 0.045 0.000 0.788 884 L N -3.008 118.300 121.223 0.141 0.000 2.083 884 L HA -0.107 4.233 4.340 0.001 0.000 0.209 884 L C 2.408 179.350 176.870 0.120 0.000 1.083 884 L CA 1.690 56.604 54.840 0.124 0.000 0.752 884 L CB -1.391 40.719 42.059 0.084 0.000 0.899 884 L HN 0.001 nan 8.230 nan 0.000 0.433 885 W N -0.463 120.913 121.300 0.128 0.000 2.443 885 W HA -0.083 4.577 4.660 0.000 0.000 0.296 885 W C 2.731 179.260 176.519 0.016 0.000 1.202 885 W CA 0.875 58.255 57.345 0.058 0.000 1.312 885 W CB -0.294 29.194 29.460 0.045 0.000 1.120 885 W HN 0.154 nan 8.180 nan 0.000 0.536 886 N N -0.372 118.491 118.700 0.272 0.000 2.149 886 N HA -0.263 4.478 4.740 0.001 0.000 0.188 886 N C 1.643 177.276 175.510 0.204 0.000 1.019 886 N CA 1.646 54.800 53.050 0.174 0.000 0.857 886 N CB -0.588 37.979 38.487 0.132 0.000 0.997 886 N HN 0.369 nan 8.380 nan 0.000 0.426 887 H N 0.064 119.200 119.070 0.111 0.000 2.395 887 H HA -0.036 4.521 4.556 0.001 0.000 0.299 887 H C 2.176 177.629 175.328 0.209 0.000 1.070 887 H CA 0.412 56.549 56.048 0.147 0.000 1.356 887 H CB 0.143 29.985 29.762 0.133 0.000 1.401 887 H HN 0.137 nan 8.280 nan 0.000 0.524 888 L N 1.240 122.515 121.223 0.087 0.000 2.083 888 L HA -0.175 4.166 4.340 0.001 0.000 0.209 888 L C 2.107 178.904 176.870 -0.121 0.000 1.083 888 L CA 1.344 56.001 54.840 -0.304 0.000 0.752 888 L CB -0.756 40.863 42.059 -0.733 0.000 0.899 888 L HN 0.376 nan 8.230 nan 0.000 0.433 889 L N -0.471 120.720 121.223 -0.053 0.000 2.109 889 L HA -0.170 4.170 4.340 0.001 0.000 0.207 889 L C 2.330 179.223 176.870 0.038 0.000 1.086 889 L CA 0.792 55.577 54.840 -0.091 0.000 0.760 889 L CB -0.568 41.401 42.059 -0.150 0.000 0.910 889 L HN 0.326 nan 8.230 nan 0.000 0.437 890 N N -0.673 118.083 118.700 0.094 0.000 2.309 890 N HA -0.214 4.526 4.740 0.001 0.000 0.182 890 N C 1.792 177.391 175.510 0.149 0.000 1.018 890 N CA 1.130 54.252 53.050 0.119 0.000 0.876 890 N CB -0.004 38.579 38.487 0.161 0.000 0.972 890 N HN 0.320 nan 8.380 nan 0.000 0.434 891 Y N 0.655 120.988 120.300 0.056 0.000 2.220 891 Y HA -0.150 4.401 4.550 0.002 0.000 0.291 891 Y C 1.817 177.805 175.900 0.146 0.000 1.129 891 Y CA 1.251 59.399 58.100 0.079 0.000 1.161 891 Y CB -0.625 37.898 38.460 0.104 0.000 0.997 891 Y HN -0.052 nan 8.280 nan 0.000 0.522 892 Y N 0.886 121.097 120.300 -0.148 0.000 2.333 892 Y HA -0.168 4.383 4.550 0.001 0.000 0.290 892 Y C 2.536 178.359 175.900 -0.128 0.000 1.144 892 Y CA 1.715 59.711 58.100 -0.174 0.000 1.228 892 Y CB -0.506 37.956 38.460 0.003 0.000 0.985 892 Y HN 0.177 nan 8.280 nan 0.000 0.542 893 K N 0.441 120.876 120.400 0.058 0.000 2.062 893 K HA -0.155 4.165 4.320 0.001 0.000 0.205 893 K C 1.801 178.383 176.600 -0.030 0.000 1.051 893 K CA 1.545 57.848 56.287 0.027 0.000 0.941 893 K CB -0.032 32.490 32.500 0.037 0.000 0.719 893 K HN 0.289 nan 8.250 nan 0.000 0.440 894 E N 0.059 120.218 120.200 -0.068 0.000 2.077 894 E HA -0.179 4.172 4.350 0.001 0.000 0.193 894 E C 1.810 178.329 176.600 -0.135 0.000 0.989 894 E CA 0.996 57.347 56.400 -0.081 0.000 0.800 894 E CB 0.114 29.779 29.700 -0.059 0.000 0.746 894 E HN 0.303 nan 8.360 nan 0.000 0.452 895 Q N 0.310 119.954 119.800 -0.260 0.000 2.444 895 Q HA 0.016 4.356 4.340 0.001 0.000 0.206 895 Q C -0.063 175.850 176.000 -0.145 0.000 0.948 895 Q CA 0.368 56.018 55.803 -0.255 0.000 0.946 895 Q CB 0.157 28.622 28.738 -0.455 0.000 1.027 895 Q HN 0.231 nan 8.270 nan 0.000 0.513 896 K N -0.297 120.050 120.400 -0.087 0.000 3.167 896 K HA -0.120 4.200 4.320 0.001 0.000 0.272 896 K C 0.252 176.861 176.600 0.014 0.000 1.137 896 K CA 0.679 56.953 56.287 -0.022 0.000 0.800 896 K CB -2.362 30.126 32.500 -0.021 0.000 1.253 896 K HN 0.223 nan 8.250 nan 0.000 0.497 897 V N -2.499 117.440 119.914 0.040 0.000 3.159 897 V HA 0.249 4.370 4.120 0.001 0.000 0.333 897 V C 0.101 176.414 176.094 0.365 0.000 1.424 897 V CA -0.431 61.967 62.300 0.163 0.000 1.125 897 V CB 0.635 32.504 31.823 0.076 0.000 1.075 897 V HN 0.227 nan 8.190 nan 0.000 0.482 898 L N 3.674 125.069 121.223 0.285 0.000 2.449 898 L HA 0.605 4.946 4.340 0.001 0.000 0.255 898 L C 0.113 177.132 176.870 0.249 0.000 1.167 898 L CA -0.375 54.661 54.840 0.326 0.000 1.090 898 L CB 0.459 42.636 42.059 0.197 0.000 1.385 898 L HN 0.348 nan 8.230 nan 0.000 0.411 899 V N 1.055 121.157 119.914 0.312 0.000 3.234 899 V HA 0.746 4.866 4.120 0.001 0.000 0.317 899 V C -0.210 175.978 176.094 0.158 0.000 1.081 899 V CA -0.583 61.836 62.300 0.198 0.000 1.037 899 V CB 1.733 33.642 31.823 0.143 0.000 1.148 899 V HN 0.725 nan 8.190 nan 0.000 0.453 900 E N -1.029 119.217 120.200 0.078 0.000 2.401 900 E HA 0.562 4.912 4.350 0.001 0.000 0.280 900 E C -0.371 176.242 176.600 0.022 0.000 1.039 900 E CA -0.021 56.357 56.400 -0.036 0.000 0.814 900 E CB 1.948 31.624 29.700 -0.041 0.000 1.275 900 E HN 1.845 nan 8.360 nan 0.000 0.448 901 G N 1.720 110.518 108.800 -0.004 0.000 2.610 901 G HA2 -0.126 3.835 3.960 0.001 0.000 0.304 901 G HA3 -0.126 3.835 3.960 0.001 0.000 0.304 901 G C -2.735 172.268 174.900 0.171 0.000 1.309 901 G CA -0.728 44.408 45.100 0.061 0.000 0.906 901 G HN 0.434 nan 8.290 nan 0.000 0.521 902 P HA 0.220 nan 4.420 nan 0.000 0.264 902 P C 1.202 178.544 177.300 0.069 0.000 1.183 902 P CA -0.349 62.807 63.100 0.094 0.000 0.763 902 P CB 0.529 32.249 31.700 0.034 0.000 0.807 903 L N 4.294 125.532 121.223 0.025 0.000 2.083 903 L HA -0.201 4.140 4.340 0.001 0.000 0.209 903 L C 1.405 178.185 176.870 -0.150 0.000 1.083 903 L CA 2.044 56.827 54.840 -0.094 0.000 0.752 903 L CB -1.068 40.901 42.059 -0.149 0.000 0.899 903 L HN 0.335 nan 8.230 nan 0.000 0.433 904 N N -0.963 117.670 118.700 -0.111 0.000 2.396 904 N HA -0.102 4.639 4.740 0.001 0.000 0.180 904 N C 0.591 176.027 175.510 -0.124 0.000 1.028 904 N CA 0.970 53.941 53.050 -0.133 0.000 0.893 904 N CB -0.144 38.288 38.487 -0.092 0.000 0.967 904 N HN 0.412 nan 8.380 nan 0.000 0.440 905 N N 0.387 119.035 118.700 -0.086 0.000 2.757 905 N HA 0.139 4.879 4.740 0.001 0.000 0.296 905 N C -1.282 174.191 175.510 -0.061 0.000 1.874 905 N CA -0.350 52.656 53.050 -0.074 0.000 0.885 905 N CB 0.177 38.636 38.487 -0.046 0.000 1.242 905 N HN -0.070 nan 8.380 nan 0.000 0.488 906 L N 1.919 123.081 121.223 -0.101 0.000 2.456 906 L HA 0.235 4.575 4.340 0.001 0.000 0.272 906 L C 0.874 177.705 176.870 -0.064 0.000 1.189 906 L CA 0.856 55.645 54.840 -0.084 0.000 0.846 906 L CB 0.585 42.519 42.059 -0.207 0.000 1.111 906 L HN 0.458 nan 8.230 nan 0.000 0.475 907 R N 1.841 122.327 120.500 -0.023 0.000 2.624 907 R HA 0.565 4.906 4.340 0.001 0.000 0.104 907 R C -0.819 175.483 176.300 0.003 0.000 1.178 907 R CA -0.754 55.337 56.100 -0.014 0.000 0.986 907 R CB 0.368 30.665 30.300 -0.005 0.000 0.855 907 R HN 0.568 nan 8.270 nan 0.000 0.386 908 E N 0.733 120.943 120.200 0.016 0.000 2.531 908 E HA 0.144 4.495 4.350 0.001 0.000 0.323 908 E C -1.720 174.898 176.600 0.030 0.000 0.908 908 E CA -0.112 56.306 56.400 0.031 0.000 0.792 908 E CB 1.700 31.412 29.700 0.019 0.000 1.360 908 E HN 0.296 nan 8.360 nan 0.000 0.394 909 S N 3.629 119.355 115.700 0.043 0.000 2.579 909 S HA 0.344 4.815 4.470 0.001 0.000 0.275 909 S C 0.041 174.656 174.600 0.024 0.000 1.345 909 S CA -0.089 58.129 58.200 0.030 0.000 1.031 909 S CB 0.341 63.565 63.200 0.040 0.000 0.892 909 S HN 0.535 nan 8.310 nan 0.000 0.529 910 L N 4.442 125.673 121.223 0.014 0.000 2.678 910 L HA 0.307 4.648 4.340 0.001 0.000 0.250 910 L C 0.110 176.983 176.870 0.005 0.000 1.455 910 L CA -0.152 54.694 54.840 0.010 0.000 0.823 910 L CB 0.279 42.343 42.059 0.008 0.000 1.107 910 L HN 0.579 nan 8.230 nan 0.000 0.514 911 M N 0.000 119.602 119.600 0.003 0.000 2.572 911 M HA 0.000 4.481 4.480 0.001 0.000 0.227 911 M CA 0.000 55.298 55.300 -0.002 0.000 0.988 911 M CB 0.000 32.594 32.600 -0.009 0.000 1.302 911 M HN 0.000 nan 8.290 nan 0.000 0.411