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_A 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 3.968 3.960 0.013 0.000 0.244 293 G C 0.000 174.860 174.900 -0.067 0.000 0.946 293 G CA 0.000 45.081 45.100 -0.031 0.000 0.502 294 S N 0.659 116.332 115.700 -0.045 0.000 4.183 294 S HA 0.389 4.867 4.470 0.013 0.000 0.195 294 S C 0.394 174.937 174.600 -0.094 0.000 1.421 294 S CA -0.189 57.964 58.200 -0.078 0.000 0.920 294 S CB -0.757 62.478 63.200 0.059 0.000 1.525 294 S HN 0.503 nan 8.310 nan 0.000 0.447 295 R N 2.150 122.519 120.500 -0.220 0.000 2.562 295 R HA 0.484 4.831 4.340 0.013 0.000 0.298 295 R C -1.622 174.524 176.300 -0.258 0.000 0.961 295 R CA -0.519 55.526 56.100 -0.092 0.000 0.881 295 R CB 0.839 31.141 30.300 0.003 0.000 1.159 295 R HN 0.330 nan 8.270 nan 0.000 0.450 296 Y N 1.140 121.523 120.300 0.138 0.000 2.509 296 Y HA 0.218 4.776 4.550 0.013 0.000 0.341 296 Y C 1.030 177.076 175.900 0.243 0.000 1.038 296 Y CA -0.806 57.397 58.100 0.170 0.000 1.089 296 Y CB 2.014 40.604 38.460 0.217 0.000 1.241 296 Y HN 0.680 nan 8.280 nan 0.000 0.468 297 E N 0.439 120.860 120.200 0.369 0.000 2.250 297 E HA -0.031 4.326 4.350 0.013 0.000 0.192 297 E C -0.576 176.256 176.600 0.386 0.000 0.986 297 E CA 0.767 57.370 56.400 0.340 0.000 0.849 297 E CB 0.467 30.278 29.700 0.184 0.000 0.797 297 E HN 0.788 nan 8.360 nan 0.000 0.482 298 D N -3.019 117.572 120.400 0.319 0.000 2.713 298 D HA 0.132 4.780 4.640 0.013 0.000 0.306 298 D C 0.117 176.489 176.300 0.121 0.000 1.299 298 D CA -0.090 54.065 54.000 0.257 0.000 0.823 298 D CB 0.389 41.381 40.800 0.321 0.000 1.353 298 D HN -0.112 nan 8.370 nan 0.000 0.447 299 A N -0.735 122.065 122.820 -0.035 0.000 2.066 299 A HA -0.013 4.314 4.320 0.013 0.000 0.218 299 A C 1.654 179.192 177.584 -0.076 0.000 1.157 299 A CA 0.929 52.793 52.037 -0.288 0.000 0.670 299 A CB -1.019 17.469 19.000 -0.853 0.000 0.804 299 A HN 0.528 nan 8.150 nan 0.000 0.453 300 Y N -0.438 119.909 120.300 0.079 0.000 2.200 300 Y HA -0.205 4.355 4.550 0.017 0.000 0.290 300 Y C 2.700 178.688 175.900 0.146 0.000 1.137 300 Y CA 1.793 59.955 58.100 0.102 0.000 1.163 300 Y CB -0.182 38.323 38.460 0.074 0.000 0.988 300 Y HN 0.402 nan 8.280 nan 0.000 0.518 301 Q N -0.648 119.347 119.800 0.326 0.000 2.119 301 Q HA -0.258 4.090 4.340 0.013 0.000 0.201 301 Q C 2.060 178.247 176.000 0.310 0.000 0.972 301 Q CA 1.605 57.588 55.803 0.300 0.000 0.847 301 Q CB -0.372 28.562 28.738 0.328 0.000 0.903 301 Q HN 0.652 nan 8.270 nan 0.000 0.433 302 Y N 1.228 121.602 120.300 0.124 0.000 2.145 302 Y HA -0.293 4.263 4.550 0.010 0.000 0.286 302 Y C 2.442 178.420 175.900 0.130 0.000 1.145 302 Y CA 2.357 60.430 58.100 -0.046 0.000 1.148 302 Y CB -0.223 38.164 38.460 -0.122 0.000 0.981 302 Y HN 0.207 nan 8.280 nan 0.000 0.507 303 Q N 0.093 120.044 119.800 0.252 0.000 2.084 303 Q HA -0.220 4.127 4.340 0.013 0.000 0.202 303 Q C 1.750 177.824 176.000 0.122 0.000 0.978 303 Q CA 1.724 57.628 55.803 0.169 0.000 0.844 303 Q CB -0.270 28.570 28.738 0.171 0.000 0.898 303 Q HN 0.474 nan 8.270 nan 0.000 0.426 304 N N 0.375 119.162 118.700 0.145 0.000 2.272 304 N HA -0.132 4.616 4.740 0.013 0.000 0.185 304 N C 1.601 177.150 175.510 0.065 0.000 1.014 304 N CA 1.258 54.378 53.050 0.116 0.000 0.870 304 N CB -0.039 38.531 38.487 0.138 0.000 0.975 304 N HN 0.402 nan 8.380 nan 0.000 0.433 305 I N -1.460 119.132 120.570 0.036 0.000 2.927 305 I HA -0.024 4.153 4.170 0.013 0.000 0.268 305 I C 1.338 177.333 176.117 -0.203 0.000 1.153 305 I CA 0.312 61.570 61.300 -0.070 0.000 1.459 305 I CB 0.057 38.036 38.000 -0.035 0.000 1.149 305 I HN -0.097 nan 8.210 nan 0.000 0.443 306 F N 0.710 120.557 119.950 -0.172 0.000 2.317 306 F HA 0.087 4.628 4.527 0.023 0.000 0.293 306 F C 2.501 178.251 175.800 -0.083 0.000 1.085 306 F CA 1.050 58.937 58.000 -0.189 0.000 1.390 306 F CB -0.719 38.039 39.000 -0.403 0.000 1.077 306 F HN -0.021 nan 8.300 nan 0.000 0.517 307 G N 1.211 110.084 108.800 0.123 0.000 2.529 307 G HA2 -0.258 3.709 3.960 0.013 0.000 0.219 307 G HA3 -0.258 3.709 3.960 0.013 0.000 0.219 307 G C -0.767 174.180 174.900 0.078 0.000 1.177 307 G CA 0.994 46.156 45.100 0.103 0.000 0.773 307 G HN 0.225 nan 8.290 nan 0.000 0.573 308 P HA -0.030 nan 4.420 nan 0.000 0.217 308 P C 1.949 179.262 177.300 0.020 0.000 1.150 308 P CA 0.398 63.514 63.100 0.027 0.000 0.832 308 P CB -0.027 31.678 31.700 0.007 0.000 0.787 309 L N -0.887 120.341 121.223 0.010 0.000 2.046 309 L HA -0.139 4.208 4.340 0.013 0.000 0.208 309 L C 2.378 179.289 176.870 0.070 0.000 1.077 309 L CA 1.741 56.589 54.840 0.013 0.000 0.747 309 L CB -1.511 40.534 42.059 -0.024 0.000 0.896 309 L HN -0.134 nan 8.230 nan 0.000 0.432 310 V N -0.747 119.237 119.914 0.117 0.000 2.358 310 V HA -0.284 3.843 4.120 0.013 0.000 0.246 310 V C 2.479 178.638 176.094 0.108 0.000 1.047 310 V CA 1.487 63.886 62.300 0.166 0.000 1.035 310 V CB -0.593 31.350 31.823 0.201 0.000 0.658 310 V HN 0.441 nan 8.190 nan 0.000 0.452 311 K N -0.363 120.077 120.400 0.068 0.000 2.057 311 K HA -0.179 4.149 4.320 0.013 0.000 0.207 311 K C 2.134 178.722 176.600 -0.021 0.000 1.049 311 K CA 1.324 57.624 56.287 0.022 0.000 0.931 311 K CB -0.410 32.106 32.500 0.028 0.000 0.714 311 K HN 0.238 nan 8.250 nan 0.000 0.440 312 L N 1.650 122.872 121.223 -0.001 0.000 1.990 312 L HA -0.221 4.126 4.340 0.013 0.000 0.213 312 L C 2.396 179.265 176.870 -0.001 0.000 1.072 312 L CA 1.746 56.584 54.840 -0.003 0.000 0.755 312 L CB -0.317 41.740 42.059 -0.004 0.000 0.889 312 L HN 0.198 nan 8.230 nan 0.000 0.432 313 E N -1.083 119.117 120.200 -0.001 0.000 2.216 313 E HA -0.112 4.246 4.350 0.013 0.000 0.192 313 E C 2.124 178.633 176.600 -0.151 0.000 0.988 313 E CA 0.860 57.272 56.400 0.019 0.000 0.834 313 E CB 0.111 29.883 29.700 0.120 0.000 0.772 313 E HN 0.503 nan 8.360 nan 0.000 0.479 314 A N 1.056 123.622 122.820 -0.423 0.000 1.872 314 A HA -0.190 4.138 4.320 0.013 0.000 0.214 314 A C 1.899 179.185 177.584 -0.496 0.000 1.187 314 A CA 1.783 53.202 52.037 -1.031 0.000 0.614 314 A CB -0.390 18.196 19.000 -0.691 0.000 0.826 314 A HN 0.145 nan 8.150 nan 0.000 0.442 315 D N -2.387 117.828 120.400 -0.308 0.000 2.183 315 D HA -0.127 4.521 4.640 0.013 0.000 0.203 315 D C 1.666 177.822 176.300 -0.239 0.000 0.969 315 D CA 0.970 54.776 54.000 -0.323 0.000 0.842 315 D CB -0.197 40.480 40.800 -0.206 0.000 0.957 315 D HN 0.483 nan 8.370 nan 0.000 0.484 316 Y N 0.903 121.079 120.300 -0.207 0.000 2.128 316 Y HA -0.210 4.348 4.550 0.013 0.000 0.284 316 Y C 1.843 177.673 175.900 -0.116 0.000 1.154 316 Y CA 2.141 60.163 58.100 -0.131 0.000 1.149 316 Y CB -0.417 38.002 38.460 -0.068 0.000 0.976 316 Y HN -0.026 nan 8.280 nan 0.000 0.505 317 D N -0.272 120.194 120.400 0.109 0.000 2.117 317 D HA -0.225 4.423 4.640 0.013 0.000 0.197 317 D C 2.219 178.477 176.300 -0.070 0.000 0.987 317 D CA 1.764 55.860 54.000 0.160 0.000 0.829 317 D CB -0.225 40.815 40.800 0.400 0.000 0.961 317 D HN 0.347 nan 8.370 nan 0.000 0.460 318 K N -0.003 120.076 120.400 -0.534 0.000 1.991 318 K HA -0.215 4.113 4.320 0.013 0.000 0.212 318 K C 1.998 178.311 176.600 -0.478 0.000 1.049 318 K CA 1.374 57.034 56.287 -1.045 0.000 0.932 318 K CB 0.008 31.603 32.500 -1.510 0.000 0.717 318 K HN -0.127 nan 8.250 nan 0.000 0.441 319 K N 0.765 120.924 120.400 -0.402 0.000 2.032 319 K HA -0.144 4.183 4.320 0.013 0.000 0.209 319 K C 1.954 178.405 176.600 -0.249 0.000 1.048 319 K CA 1.246 57.353 56.287 -0.299 0.000 0.927 319 K CB -0.541 31.772 32.500 -0.312 0.000 0.712 319 K HN 0.139 nan 8.250 nan 0.000 0.441 320 L N 1.026 122.074 121.223 -0.292 0.000 1.989 320 L HA -0.225 4.122 4.340 0.013 0.000 0.211 320 L C 2.014 178.828 176.870 -0.094 0.000 1.071 320 L CA 1.914 56.626 54.840 -0.214 0.000 0.749 320 L CB -0.451 41.496 42.059 -0.187 0.000 0.890 320 L HN 0.021 nan 8.230 nan 0.000 0.431 321 K N -0.223 120.159 120.400 -0.031 0.000 2.097 321 K HA -0.173 4.154 4.320 0.013 0.000 0.206 321 K C 1.988 178.648 176.600 0.099 0.000 1.049 321 K CA 1.732 58.062 56.287 0.073 0.000 0.933 321 K CB -0.115 32.518 32.500 0.221 0.000 0.717 321 K HN 0.490 nan 8.250 nan 0.000 0.442 322 E N -0.715 119.499 120.200 0.022 0.000 2.150 322 E HA -0.088 4.269 4.350 0.013 0.000 0.193 322 E C 1.614 178.229 176.600 0.025 0.000 0.985 322 E CA 1.177 57.592 56.400 0.025 0.000 0.814 322 E CB 0.105 29.778 29.700 -0.046 0.000 0.752 322 E HN 0.191 nan 8.360 nan 0.000 0.466 323 S N 0.870 116.562 115.700 -0.015 0.000 2.522 323 S HA -0.062 4.416 4.470 0.013 0.000 0.227 323 S C 1.515 176.128 174.600 0.023 0.000 0.986 323 S CA 0.409 58.599 58.200 -0.016 0.000 0.929 323 S CB 0.053 63.215 63.200 -0.063 0.000 0.769 323 S HN 0.247 nan 8.310 nan 0.000 0.529 324 Q N 0.979 120.814 119.800 0.057 0.000 2.482 324 Q HA 0.087 4.435 4.340 0.013 0.000 0.209 324 Q C 0.032 176.211 176.000 0.298 0.000 0.961 324 Q CA 0.274 56.137 55.803 0.099 0.000 0.945 324 Q CB -0.055 28.605 28.738 -0.129 0.000 1.012 324 Q HN 0.269 nan 8.270 nan 0.000 0.515 325 T N 2.292 116.979 114.554 0.222 0.000 2.908 325 T HA 0.014 4.372 4.350 0.013 0.000 0.301 325 T C -0.066 174.703 174.700 0.115 0.000 1.019 325 T CA 0.461 62.657 62.100 0.160 0.000 1.152 325 T CB 0.401 69.317 68.868 0.080 0.000 0.966 325 T HN 0.109 nan 8.240 nan 0.000 0.540 326 Q N 2.469 122.324 119.800 0.091 0.000 2.413 326 Q HA 0.490 4.838 4.340 0.013 0.000 0.276 326 Q C -0.996 175.017 176.000 0.022 0.000 1.099 326 Q CA -0.887 54.955 55.803 0.064 0.000 0.814 326 Q CB 2.480 31.274 28.738 0.093 0.000 1.379 326 Q HN 0.750 nan 8.270 nan 0.000 0.436 327 D N -0.780 119.631 120.400 0.019 0.000 2.585 327 D HA 0.354 5.001 4.640 0.013 0.000 0.254 327 D C -0.910 175.398 176.300 0.014 0.000 1.067 327 D CA -0.886 53.119 54.000 0.008 0.000 1.090 327 D CB 0.492 41.290 40.800 -0.003 0.000 1.408 327 D HN 0.412 nan 8.370 nan 0.000 0.554 328 N N -0.766 117.942 118.700 0.014 0.000 2.696 328 N HA -0.120 4.628 4.740 0.013 0.000 0.256 328 N C -1.299 174.218 175.510 0.012 0.000 1.031 328 N CA 0.404 53.462 53.050 0.014 0.000 0.730 328 N CB -0.757 37.734 38.487 0.007 0.000 0.894 328 N HN 0.356 nan 8.380 nan 0.000 0.544 329 I N 0.381 120.982 120.570 0.052 0.000 2.354 329 I HA 0.233 4.411 4.170 0.013 0.000 0.292 329 I C 0.815 176.973 176.117 0.069 0.000 0.989 329 I CA -0.252 61.070 61.300 0.037 0.000 1.188 329 I CB 1.402 39.390 38.000 -0.019 0.000 1.342 329 I HN 0.017 nan 8.210 nan 0.000 0.457 330 T N 5.793 120.348 114.554 0.002 0.000 2.869 330 T HA 0.488 4.846 4.350 0.013 0.000 0.295 330 T C 0.372 175.073 174.700 0.002 0.000 0.987 330 T CA -0.272 61.833 62.100 0.007 0.000 1.109 330 T CB 1.539 70.381 68.868 -0.042 0.000 0.932 330 T HN 0.262 nan 8.240 nan 0.000 0.518 331 V N 3.798 123.662 119.914 -0.084 0.000 2.975 331 V HA 0.595 4.723 4.120 0.013 0.000 0.318 331 V C 0.107 176.109 176.094 -0.153 0.000 1.077 331 V CA -1.087 61.043 62.300 -0.282 0.000 1.000 331 V CB 1.909 33.170 31.823 -0.937 0.000 1.066 331 V HN 0.731 nan 8.190 nan 0.000 0.452 332 R N 1.100 121.495 120.500 -0.174 0.000 2.483 332 R HA 0.366 4.713 4.340 0.013 0.000 0.303 332 R C -1.727 174.543 176.300 -0.050 0.000 0.987 332 R CA -0.389 55.702 56.100 -0.016 0.000 0.881 332 R CB 1.688 32.036 30.300 0.081 0.000 1.177 332 R HN 0.653 nan 8.270 nan 0.000 0.451 333 W N 1.864 123.205 121.300 0.068 0.000 2.283 333 W HA 0.363 5.031 4.660 0.013 0.000 0.341 333 W C 0.534 177.103 176.519 0.084 0.000 1.206 333 W CA 0.361 57.727 57.345 0.035 0.000 1.294 333 W CB 0.789 30.229 29.460 -0.034 0.000 1.154 333 W HN 0.357 nan 8.180 nan 0.000 0.613 334 D N -0.333 120.258 120.400 0.317 0.000 2.692 334 D HA 0.459 5.107 4.640 0.013 0.000 0.303 334 D C -1.836 174.553 176.300 0.148 0.000 1.278 334 D CA -0.694 53.436 54.000 0.218 0.000 0.852 334 D CB 1.698 42.663 40.800 0.276 0.000 1.375 334 D HN 0.226 nan 8.370 nan 0.000 0.453 335 L N 1.288 122.574 121.223 0.105 0.000 2.446 335 L HA 0.522 4.869 4.340 0.013 0.000 0.268 335 L C 0.487 177.389 176.870 0.054 0.000 0.975 335 L CA -0.508 54.371 54.840 0.066 0.000 0.848 335 L CB 1.639 43.726 42.059 0.047 0.000 1.225 335 L HN 0.494 nan 8.230 nan 0.000 0.410 336 G N 2.765 111.589 108.800 0.040 0.000 2.667 336 G HA2 0.251 4.218 3.960 0.013 0.000 0.250 336 G HA3 0.251 4.218 3.960 0.013 0.000 0.250 336 G C 0.860 175.776 174.900 0.027 0.000 1.212 336 G CA -0.534 44.585 45.100 0.032 0.000 0.874 336 G HN 0.698 nan 8.290 nan 0.000 0.561 337 L N 0.590 121.827 121.223 0.023 0.000 2.465 337 L HA -0.042 4.306 4.340 0.013 0.000 0.224 337 L C 2.121 179.002 176.870 0.017 0.000 1.145 337 L CA 0.759 55.610 54.840 0.019 0.000 0.834 337 L CB -0.443 41.625 42.059 0.016 0.000 0.944 337 L HN 0.652 nan 8.230 nan 0.000 0.451 338 N N -0.288 118.424 118.700 0.019 0.000 2.521 338 N HA -0.136 4.611 4.740 0.013 0.000 0.188 338 N C 0.672 176.193 175.510 0.018 0.000 1.146 338 N CA 0.237 53.299 53.050 0.020 0.000 0.893 338 N CB 0.041 38.543 38.487 0.024 0.000 0.975 338 N HN -0.022 nan 8.380 nan 0.000 0.451 339 K N -1.349 119.062 120.400 0.018 0.000 3.553 339 K HA -0.173 4.154 4.320 0.013 0.000 0.303 339 K C -0.779 175.834 176.600 0.020 0.000 1.327 339 K CA 0.915 57.212 56.287 0.016 0.000 0.983 339 K CB -1.829 30.677 32.500 0.011 0.000 1.275 339 K HN 0.463 nan 8.250 nan 0.000 0.453 340 K N 1.888 122.301 120.400 0.021 0.000 2.349 340 K HA 0.151 4.479 4.320 0.013 0.000 0.288 340 K C -0.052 176.562 176.600 0.024 0.000 1.058 340 K CA -0.269 56.031 56.287 0.022 0.000 0.953 340 K CB 0.521 33.028 32.500 0.012 0.000 0.997 340 K HN 0.101 nan 8.250 nan 0.000 0.477 341 R N 2.523 123.053 120.500 0.049 0.000 2.522 341 R HA 0.115 4.463 4.340 0.013 0.000 0.284 341 R C 0.226 176.551 176.300 0.041 0.000 1.032 341 R CA 0.043 56.196 56.100 0.088 0.000 1.049 341 R CB 0.365 30.764 30.300 0.165 0.000 0.956 341 R HN 0.449 nan 8.270 nan 0.000 0.422 342 I N 1.552 122.119 120.570 -0.005 0.000 2.562 342 I HA 0.458 4.635 4.170 0.013 0.000 0.301 342 I C -0.744 175.217 176.117 -0.260 0.000 1.003 342 I CA -0.526 60.661 61.300 -0.189 0.000 1.127 342 I CB 1.916 39.750 38.000 -0.277 0.000 1.304 342 I HN 0.682 nan 8.210 nan 0.000 0.446 343 A N 6.823 129.378 122.820 -0.442 0.000 2.359 343 A HA 0.680 5.008 4.320 0.013 0.000 0.303 343 A C -1.880 175.409 177.584 -0.491 0.000 1.066 343 A CA -0.389 51.324 52.037 -0.540 0.000 0.730 343 A CB 0.817 19.417 19.000 -0.666 0.000 1.211 343 A HN 0.587 nan 8.150 nan 0.000 0.439 344 Y N 1.121 121.265 120.300 -0.260 0.000 2.420 344 Y HA 0.746 5.304 4.550 0.013 0.000 0.334 344 Y C -0.113 175.693 175.900 -0.157 0.000 1.094 344 Y CA -0.448 57.477 58.100 -0.292 0.000 1.126 344 Y CB 1.703 40.056 38.460 -0.178 0.000 1.217 344 Y HN 0.748 nan 8.280 nan 0.000 0.462 345 F N -2.162 117.792 119.950 0.005 0.000 2.769 345 F HA 0.689 5.223 4.527 0.012 0.000 0.313 345 F C -1.399 174.399 175.800 -0.003 0.000 1.146 345 F CA -1.208 56.762 58.000 -0.049 0.000 0.934 345 F CB 0.923 39.845 39.000 -0.131 0.000 1.283 345 F HN 0.242 nan 8.300 nan 0.000 0.443 346 T N 2.574 117.258 114.554 0.216 0.000 2.887 346 T HA 0.745 5.103 4.350 0.013 0.000 0.288 346 T C -1.392 173.416 174.700 0.181 0.000 1.021 346 T CA -0.580 61.601 62.100 0.135 0.000 1.000 346 T CB 1.903 70.805 68.868 0.057 0.000 1.034 346 T HN 0.557 nan 8.240 nan 0.000 0.467 347 L N 3.436 124.757 121.223 0.163 0.000 2.346 347 L HA 0.569 4.916 4.340 0.013 0.000 0.276 347 L C -1.767 175.167 176.870 0.107 0.000 1.006 347 L CA -1.795 53.143 54.840 0.163 0.000 0.817 347 L CB 0.474 42.671 42.059 0.231 0.000 1.272 347 L HN 0.505 nan 8.230 nan 0.000 0.421 357 M N 1.757 121.399 119.600 0.070 0.000 2.426 357 M HA 0.474 4.961 4.480 0.013 0.000 0.289 357 M C -1.535 174.800 176.300 0.058 0.000 1.168 357 M CA -0.489 54.840 55.300 0.049 0.000 0.933 357 M CB 2.162 34.781 32.600 0.032 0.000 1.750 357 M HN 0.701 nan 8.290 nan 0.000 0.494 358 Q N 1.732 121.557 119.800 0.042 0.000 2.283 358 Q HA 0.415 4.763 4.340 0.013 0.000 0.301 358 Q C 0.980 176.997 176.000 0.029 0.000 1.063 358 Q CA 2.323 58.153 55.803 0.044 0.000 0.952 358 Q CB 0.289 29.044 28.738 0.028 0.000 1.166 358 Q HN 0.953 nan 8.270 nan 0.000 0.381 359 G N 2.039 110.866 108.800 0.044 0.000 2.308 359 G HA2 -0.232 3.735 3.960 0.013 0.000 0.221 359 G HA3 -0.232 3.735 3.960 0.013 0.000 0.221 359 G C -0.290 174.633 174.900 0.038 0.000 1.032 359 G CA -0.154 44.932 45.100 -0.023 0.000 0.623 359 G HN 0.636 nan 8.290 nan 0.000 0.506 360 D N 2.275 122.720 120.400 0.075 0.000 2.506 360 D HA 0.308 4.956 4.640 0.013 0.000 0.234 360 D C 0.707 177.092 176.300 0.142 0.000 1.143 360 D CA 0.668 54.732 54.000 0.107 0.000 0.871 360 D CB 0.525 41.414 40.800 0.147 0.000 1.190 360 D HN 0.589 nan 8.370 nan 0.000 0.459 361 E N 1.200 121.475 120.200 0.126 0.000 2.283 361 E HA 0.426 4.783 4.350 0.013 0.000 0.278 361 E C -0.035 176.628 176.600 0.105 0.000 1.027 361 E CA -0.358 56.111 56.400 0.116 0.000 0.843 361 E CB 1.465 31.215 29.700 0.083 0.000 1.062 361 E HN 0.315 nan 8.360 nan 0.000 0.401 362 I N 1.544 122.143 120.570 0.047 0.000 2.740 362 I HA 0.273 4.451 4.170 0.013 0.000 0.303 362 I C -0.721 175.354 176.117 -0.071 0.000 1.044 362 I CA -0.953 60.308 61.300 -0.066 0.000 1.064 362 I CB 1.968 39.904 38.000 -0.106 0.000 1.249 362 I HN 0.536 nan 8.210 nan 0.000 0.433 363 C N 7.124 126.348 119.300 -0.127 0.000 2.293 363 C HA 0.526 4.993 4.460 0.013 0.000 0.323 363 C C -0.436 174.468 174.990 -0.144 0.000 1.240 363 C CA -0.564 58.386 59.018 -0.115 0.000 1.497 363 C CB -0.348 27.338 27.740 -0.091 0.000 2.171 363 C HN 0.656 nan 8.230 nan 0.000 0.465 364 L N 6.856 128.010 121.223 -0.115 0.000 2.264 364 L HA 0.565 4.913 4.340 0.013 0.000 0.289 364 L C -0.009 176.868 176.870 0.012 0.000 1.044 364 L CA -0.071 54.760 54.840 -0.015 0.000 0.807 364 L CB 0.622 42.757 42.059 0.126 0.000 1.192 364 L HN 0.739 nan 8.230 nan 0.000 0.425 365 R N 3.961 124.533 120.500 0.120 0.000 2.437 365 R HA 0.255 4.602 4.340 0.013 0.000 0.310 365 R C -1.217 175.224 176.300 0.234 0.000 0.955 365 R CA -0.689 55.470 56.100 0.097 0.000 0.851 365 R CB 1.833 32.119 30.300 -0.023 0.000 1.161 365 R HN 0.414 nan 8.270 nan 0.000 0.446 366 Y N 2.927 123.313 120.300 0.142 0.000 2.404 366 Y HA 0.182 4.740 4.550 0.012 0.000 0.344 366 Y C -0.470 175.333 175.900 -0.161 0.000 0.995 366 Y CA -0.163 57.750 58.100 -0.313 0.000 1.201 366 Y CB 0.732 39.011 38.460 -0.302 0.000 1.151 366 Y HN 0.369 nan 8.280 nan 0.000 0.517 367 K N 5.852 125.821 120.400 -0.718 0.000 2.499 367 K HA 0.444 4.771 4.320 0.013 0.000 0.215 367 K C -0.345 175.782 176.600 -0.788 0.000 1.041 367 K CA -0.388 55.544 56.287 -0.591 0.000 1.031 367 K CB 0.986 33.316 32.500 -0.283 0.000 1.479 367 K HN 0.834 nan 8.250 nan 0.000 0.518 368 G N 0.211 108.317 108.800 -1.157 0.000 2.730 368 G HA2 0.125 4.092 3.960 0.013 0.000 0.289 368 G HA3 0.125 4.092 3.960 0.013 0.000 0.289 368 G C -0.151 174.606 174.900 -0.239 0.000 1.341 368 G CA -0.577 44.112 45.100 -0.685 0.000 0.932 368 G HN 0.235 nan 8.290 nan 0.000 0.481 369 D N -0.635 119.736 120.400 -0.048 0.000 2.219 369 D HA -0.038 4.610 4.640 0.013 0.000 0.205 369 D C 1.367 177.697 176.300 0.049 0.000 0.970 369 D CA 0.517 54.518 54.000 0.001 0.000 0.851 369 D CB 0.095 40.906 40.800 0.018 0.000 0.943 369 D HN -0.024 nan 8.370 nan 0.000 0.488 370 L N 0.382 121.682 121.223 0.128 0.000 2.470 370 L HA 0.169 4.516 4.340 0.013 0.000 0.243 370 L C 1.788 178.735 176.870 0.127 0.000 1.227 370 L CA -0.106 54.810 54.840 0.128 0.000 0.824 370 L CB -0.462 41.682 42.059 0.142 0.000 1.175 370 L HN -0.099 nan 8.230 nan 0.000 0.503 371 A N 0.182 123.051 122.820 0.082 0.000 2.235 371 A HA 0.071 4.399 4.320 0.013 0.000 0.208 371 A C -0.495 177.141 177.584 0.086 0.000 1.172 371 A CA 0.054 52.130 52.037 0.066 0.000 0.786 371 A CB -1.289 17.731 19.000 0.032 0.000 0.804 371 A HN 0.745 nan 8.150 nan 0.000 0.479 372 P HA -0.011 nan 4.420 nan 0.000 0.202 372 P C 0.014 177.457 177.300 0.238 0.000 1.189 372 P CA 0.201 63.392 63.100 0.152 0.000 0.921 372 P CB -0.172 31.572 31.700 0.073 0.000 0.756 373 L N -1.866 119.569 121.223 0.354 0.000 3.592 373 L HA -0.187 4.160 4.340 0.013 0.000 0.633 373 L C -0.614 176.431 176.870 0.292 0.000 1.071 373 L CA 0.042 55.025 54.840 0.239 0.000 1.090 373 L CB -1.540 40.571 42.059 0.086 0.000 1.328 373 L HN 0.370 nan 8.230 nan 0.000 0.786 374 W N 5.414 126.797 121.300 0.139 0.000 2.844 374 W HA 0.649 5.316 4.660 0.013 0.000 0.340 374 W C -0.590 176.002 176.519 0.122 0.000 1.093 374 W CA -1.021 56.394 57.345 0.117 0.000 1.212 374 W CB 1.310 30.844 29.460 0.124 0.000 1.422 374 W HN 0.172 nan 8.180 nan 0.000 0.515 375 K N 3.274 123.223 120.400 -0.753 0.000 2.208 375 K HA 0.826 5.154 4.320 0.013 0.000 0.247 375 K C -0.754 174.880 176.600 -1.611 0.000 0.953 375 K CA -0.933 54.789 56.287 -0.942 0.000 0.837 375 K CB 1.720 33.965 32.500 -0.424 0.000 1.131 375 K HN 0.800 nan 8.250 nan 0.000 0.431 376 G N 3.241 111.310 108.800 -1.218 0.000 2.761 376 G HA2 0.408 4.376 3.960 0.013 0.000 0.296 376 G HA3 0.408 4.376 3.960 0.013 0.000 0.296 376 G C -1.397 173.359 174.900 -0.240 0.000 1.416 376 G CA -0.696 44.006 45.100 -0.665 0.000 1.105 376 G HN 0.530 nan 8.290 nan 0.000 0.565 377 I N 1.251 121.767 120.570 -0.090 0.000 2.437 377 I HA 0.774 4.951 4.170 0.013 0.000 0.298 377 I C 0.847 176.979 176.117 0.025 0.000 0.984 377 I CA -0.432 60.850 61.300 -0.030 0.000 1.214 377 I CB 2.167 40.156 38.000 -0.019 0.000 1.365 377 I HN 0.661 nan 8.210 nan 0.000 0.469 378 G N 2.468 111.280 108.800 0.019 0.000 2.708 378 G HA2 0.615 4.582 3.960 0.013 0.000 0.289 378 G HA3 0.615 4.582 3.960 0.013 0.000 0.289 378 G C -1.835 173.074 174.900 0.014 0.000 1.416 378 G CA -0.580 44.511 45.100 -0.016 0.000 0.829 378 G HN 0.738 nan 8.290 nan 0.000 0.480 379 H N -1.697 117.385 119.070 0.020 0.000 2.569 379 H HA 0.725 5.290 4.556 0.014 0.000 0.357 379 H C -0.168 175.164 175.328 0.007 0.000 1.153 379 H CA -1.134 54.925 56.048 0.017 0.000 1.193 379 H CB 1.301 31.069 29.762 0.009 0.000 1.602 379 H HN 0.338 nan 8.280 nan 0.000 0.523 380 V N 2.867 122.893 119.914 0.186 0.000 2.872 380 V HA -0.061 4.066 4.120 0.013 0.000 0.307 380 V C 0.612 176.790 176.094 0.141 0.000 1.072 380 V CA 0.579 62.943 62.300 0.106 0.000 1.148 380 V CB 0.481 32.371 31.823 0.111 0.000 0.954 380 V HN 0.887 nan 8.190 nan 0.000 0.490 381 I N 2.130 122.725 120.570 0.042 0.000 4.620 381 I HA 0.344 4.521 4.170 0.013 0.000 0.347 381 I C 0.005 176.136 176.117 0.023 0.000 1.302 381 I CA 0.402 61.729 61.300 0.046 0.000 1.277 381 I CB 0.272 38.276 38.000 0.007 0.000 1.566 381 I HN 0.545 nan 8.210 nan 0.000 0.547 382 K N 1.404 121.812 120.400 0.013 0.000 2.582 382 K HA 0.382 4.710 4.320 0.013 0.000 0.259 382 K C -1.503 175.114 176.600 0.028 0.000 0.973 382 K CA -0.304 56.004 56.287 0.034 0.000 0.880 382 K CB 1.527 34.067 32.500 0.067 0.000 1.310 382 K HN -0.144 nan 8.250 nan 0.000 0.443 383 V N 0.893 120.833 119.914 0.044 0.000 2.966 383 V HA 0.708 4.836 4.120 0.013 0.000 0.317 383 V C -2.537 173.586 176.094 0.049 0.000 1.070 383 V CA -2.451 59.875 62.300 0.044 0.000 1.008 383 V CB 1.053 32.904 31.823 0.046 0.000 1.070 383 V HN 0.561 nan 8.190 nan 0.000 0.457 384 P HA 0.273 nan 4.420 nan 0.000 0.266 384 P C -1.243 176.075 177.300 0.029 0.000 1.215 384 P CA 0.493 63.607 63.100 0.024 0.000 0.763 384 P CB 0.202 31.914 31.700 0.020 0.000 0.806 385 D N 1.131 121.551 120.400 0.035 0.000 2.958 385 D HA 0.128 4.776 4.640 0.013 0.000 0.306 385 D C 0.632 176.952 176.300 0.033 0.000 1.226 385 D CA -0.568 53.458 54.000 0.043 0.000 1.032 385 D CB -0.338 40.501 40.800 0.065 0.000 1.400 385 D HN -0.061 nan 8.370 nan 0.000 0.587 386 N N -1.574 117.158 118.700 0.054 0.000 2.272 386 N HA -0.148 4.600 4.740 0.013 0.000 0.185 386 N C 1.428 176.975 175.510 0.061 0.000 1.014 386 N CA 1.281 54.360 53.050 0.047 0.000 0.870 386 N CB -0.350 38.176 38.487 0.066 0.000 0.975 386 N HN 0.438 nan 8.380 nan 0.000 0.433 387 Y N -0.561 119.734 120.300 -0.007 0.000 2.184 387 Y HA 0.120 4.678 4.550 0.012 0.000 0.290 387 Y C 0.881 176.769 175.900 -0.020 0.000 1.129 387 Y CA 0.998 59.089 58.100 -0.015 0.000 1.144 387 Y CB 0.014 38.464 38.460 -0.017 0.000 0.995 387 Y HN -0.075 nan 8.280 nan 0.000 0.513 388 G N -0.707 107.763 108.800 -0.550 0.000 2.489 388 G HA2 0.094 4.062 3.960 0.013 0.000 0.291 388 G HA3 0.094 4.062 3.960 0.013 0.000 0.291 388 G C -1.253 173.485 174.900 -0.269 0.000 1.487 388 G CA -0.166 44.588 45.100 -0.576 0.000 0.795 388 G HN 0.058 nan 8.290 nan 0.000 0.513 389 D N -0.161 120.132 120.400 -0.179 0.000 2.378 389 D HA -0.015 4.633 4.640 0.013 0.000 0.227 389 D C 0.947 177.212 176.300 -0.058 0.000 1.012 389 D CA 0.600 54.554 54.000 -0.076 0.000 0.905 389 D CB 0.602 41.379 40.800 -0.037 0.000 0.895 389 D HN 0.582 nan 8.370 nan 0.000 0.532 390 E N 0.768 120.905 120.200 -0.104 0.000 2.390 390 E HA 0.245 4.602 4.350 0.013 0.000 0.261 390 E C -0.322 176.237 176.600 -0.069 0.000 1.076 390 E CA -0.158 56.198 56.400 -0.074 0.000 0.905 390 E CB 0.813 30.477 29.700 -0.061 0.000 0.984 390 E HN -0.009 nan 8.360 nan 0.000 0.427 391 I N 1.548 121.990 120.570 -0.214 0.000 2.846 391 I HA 0.619 4.797 4.170 0.013 0.000 0.307 391 I C -0.688 175.097 176.117 -0.553 0.000 1.053 391 I CA -1.003 60.098 61.300 -0.331 0.000 1.050 391 I CB 2.124 39.903 38.000 -0.368 0.000 1.239 391 I HN 0.566 nan 8.210 nan 0.000 0.439 392 A N 5.522 128.098 122.820 -0.408 0.000 2.459 392 A HA 0.845 5.172 4.320 0.013 0.000 0.296 392 A C -0.942 176.444 177.584 -0.330 0.000 1.039 392 A CA -0.456 51.305 52.037 -0.461 0.000 0.698 392 A CB 1.304 20.124 19.000 -0.300 0.000 1.261 392 A HN 0.700 nan 8.150 nan 0.000 0.405 393 I N -1.268 119.107 120.570 -0.326 0.000 2.892 393 I HA 0.795 4.972 4.170 0.013 0.000 0.306 393 I C -0.463 175.500 176.117 -0.256 0.000 1.078 393 I CA -0.696 60.488 61.300 -0.195 0.000 1.032 393 I CB 2.282 40.258 38.000 -0.040 0.000 1.229 393 I HN 0.681 nan 8.210 nan 0.000 0.435 394 E N 5.069 125.074 120.200 -0.326 0.000 2.165 394 E HA 0.450 4.807 4.350 0.013 0.000 0.266 394 E C -1.452 174.988 176.600 -0.267 0.000 0.889 394 E CA -0.765 55.446 56.400 -0.314 0.000 0.756 394 E CB 1.838 31.301 29.700 -0.395 0.000 1.131 394 E HN 0.657 nan 8.360 nan 0.000 0.411 395 L N 5.291 126.471 121.223 -0.073 0.000 2.380 395 L HA 0.252 4.599 4.340 0.013 0.000 0.273 395 L C 2.005 178.889 176.870 0.024 0.000 1.138 395 L CA -0.198 54.660 54.840 0.030 0.000 0.832 395 L CB 0.742 42.909 42.059 0.180 0.000 1.124 395 L HN 0.650 nan 8.230 nan 0.000 0.454 396 R N 1.233 121.762 120.500 0.048 0.000 2.115 396 R HA -0.058 4.289 4.340 0.013 0.000 0.230 396 R C 0.605 176.946 176.300 0.069 0.000 1.111 396 R CA 1.009 57.147 56.100 0.063 0.000 0.976 396 R CB 0.075 30.417 30.300 0.071 0.000 0.870 396 R HN 0.513 nan 8.270 nan 0.000 0.445 397 S N 0.200 115.956 115.700 0.094 0.000 2.673 397 S HA 0.251 4.729 4.470 0.013 0.000 0.256 397 S C -0.772 173.915 174.600 0.145 0.000 1.141 397 S CA -0.831 57.428 58.200 0.099 0.000 1.109 397 S CB 1.794 65.047 63.200 0.088 0.000 1.101 397 S HN 0.250 nan 8.310 nan 0.000 0.471 398 S N 3.601 119.368 115.700 0.112 0.000 2.685 398 S HA 0.050 4.528 4.470 0.013 0.000 0.240 398 S C 1.580 176.216 174.600 0.060 0.000 0.967 398 S CA 0.085 58.354 58.200 0.114 0.000 1.009 398 S CB 0.542 63.791 63.200 0.081 0.000 0.776 398 S HN 0.708 nan 8.310 nan 0.000 0.467 399 V N 2.068 122.028 119.914 0.076 0.000 2.307 399 V HA 0.013 4.141 4.120 0.013 0.000 0.245 399 V C 1.495 177.591 176.094 0.003 0.000 1.045 399 V CA 2.090 64.413 62.300 0.037 0.000 1.024 399 V CB -0.412 31.441 31.823 0.050 0.000 0.651 399 V HN 0.563 nan 8.190 nan 0.000 0.449 400 G N -0.549 108.279 108.800 0.047 0.000 4.433 400 G HA2 0.602 4.569 3.960 0.013 0.000 0.304 400 G HA3 0.602 4.569 3.960 0.013 0.000 0.304 400 G C 0.088 174.808 174.900 -0.299 0.000 1.254 400 G CA 0.408 45.487 45.100 -0.035 0.000 0.999 400 G HN 0.769 nan 8.290 nan 0.000 0.576 401 A N 1.298 123.867 122.820 -0.418 0.000 2.409 401 A HA 0.621 4.949 4.320 0.013 0.000 0.262 401 A C -2.213 174.713 177.584 -1.097 0.000 1.113 401 A CA -1.201 50.274 52.037 -0.937 0.000 0.790 401 A CB 0.479 19.151 19.000 -0.548 0.000 1.046 401 A HN 0.137 nan 8.150 nan 0.000 0.496 402 P HA 0.208 nan 4.420 nan 0.000 0.252 402 P C 0.631 177.175 177.300 -1.260 0.000 1.727 402 P CA -0.118 62.414 63.100 -0.946 0.000 1.134 402 P CB 0.343 31.623 31.700 -0.700 0.000 1.876 403 V N 2.429 121.557 119.914 -1.310 0.000 2.719 403 V HA -0.222 3.905 4.120 0.013 0.000 0.252 403 V C 2.234 177.922 176.094 -0.676 0.000 1.065 403 V CA 1.576 63.020 62.300 -1.425 0.000 1.086 403 V CB -1.149 30.190 31.823 -0.807 0.000 0.700 403 V HN 0.407 nan 8.190 nan 0.000 0.467 404 E N 1.929 121.847 120.200 -0.470 0.000 2.086 404 E HA -0.185 4.173 4.350 0.013 0.000 0.200 404 E C 1.126 177.632 176.600 -0.156 0.000 1.012 404 E CA 1.635 57.880 56.400 -0.257 0.000 0.812 404 E CB -0.663 28.895 29.700 -0.237 0.000 0.743 404 E HN 0.602 nan 8.360 nan 0.000 0.453 405 V N -2.662 117.146 119.914 -0.178 0.000 2.966 405 V HA 0.582 4.710 4.120 0.013 0.000 0.317 405 V C 0.211 176.510 176.094 0.342 0.000 1.070 405 V CA -0.084 62.212 62.300 -0.006 0.000 1.008 405 V CB 1.841 33.503 31.823 -0.269 0.000 1.070 405 V HN 0.155 nan 8.190 nan 0.000 0.457 406 T N -0.194 114.659 114.554 0.498 0.000 4.713 406 T HA 0.311 4.668 4.350 0.013 0.000 0.291 406 T C -0.145 174.932 174.700 0.628 0.000 0.916 406 T CA 0.274 62.757 62.100 0.638 0.000 0.980 406 T CB -0.702 68.433 68.868 0.445 0.000 0.915 406 T HN 1.076 nan 8.240 nan 0.000 0.429 407 H N 0.969 120.369 119.070 0.551 0.000 2.089 407 H HA 0.504 5.068 4.556 0.013 0.000 0.206 407 H C 0.612 176.160 175.328 0.367 0.000 0.872 407 H CA 0.360 56.631 56.048 0.372 0.000 0.979 407 H CB 0.687 30.593 29.762 0.240 0.000 1.266 407 H HN 0.313 nan 8.280 nan 0.000 0.389 408 N N 0.798 119.735 118.700 0.395 0.000 3.194 408 N HA 0.197 4.945 4.740 0.013 0.000 0.271 408 N C -1.415 174.072 175.510 -0.038 0.000 1.308 408 N CA -0.218 52.901 53.050 0.114 0.000 1.042 408 N CB 0.538 39.007 38.487 -0.030 0.000 1.310 408 N HN 0.009 nan 8.380 nan 0.000 0.502 409 F N 0.684 120.693 119.950 0.098 0.000 2.470 409 F HA 0.373 4.907 4.527 0.013 0.000 0.329 409 F C 0.597 176.373 175.800 -0.041 0.000 1.072 409 F CA -0.714 57.330 58.000 0.074 0.000 0.989 409 F CB 1.487 40.522 39.000 0.058 0.000 1.193 409 F HN 0.077 nan 8.300 nan 0.000 0.481 410 Q N 1.350 121.221 119.800 0.119 0.000 2.337 410 Q HA 0.672 5.020 4.340 0.013 0.000 0.266 410 Q C -1.795 174.163 176.000 -0.071 0.000 1.023 410 Q CA -0.761 55.044 55.803 0.004 0.000 0.829 410 Q CB 2.163 30.889 28.738 -0.020 0.000 1.306 410 Q HN 0.535 nan 8.270 nan 0.000 0.449 411 V N 3.347 123.168 119.914 -0.154 0.000 2.459 411 V HA 0.415 4.542 4.120 0.013 0.000 0.295 411 V C -1.041 174.902 176.094 -0.252 0.000 1.029 411 V CA -0.686 61.432 62.300 -0.303 0.000 0.874 411 V CB 1.811 33.373 31.823 -0.436 0.000 0.985 411 V HN 0.776 nan 8.190 nan 0.000 0.438 412 D N 3.155 123.383 120.400 -0.286 0.000 2.649 412 D HA 0.518 5.166 4.640 0.013 0.000 0.249 412 D C -0.864 175.296 176.300 -0.233 0.000 1.112 412 D CA -0.167 53.739 54.000 -0.156 0.000 0.850 412 D CB 1.713 42.482 40.800 -0.053 0.000 1.399 412 D HN 0.300 nan 8.370 nan 0.000 0.503 413 F N 1.245 121.235 119.950 0.067 0.000 2.413 413 F HA 0.230 4.764 4.527 0.013 0.000 0.359 413 F C 0.637 176.508 175.800 0.118 0.000 1.122 413 F CA -0.800 57.257 58.000 0.094 0.000 1.160 413 F CB 0.741 39.802 39.000 0.102 0.000 1.146 413 F HN -0.022 nan 8.300 nan 0.000 0.514 414 V N 4.141 124.188 119.914 0.222 0.000 2.446 414 V HA -0.144 3.984 4.120 0.013 0.000 0.276 414 V C -0.141 176.108 176.094 0.258 0.000 1.030 414 V CA -0.543 61.875 62.300 0.197 0.000 1.033 414 V CB -0.084 31.805 31.823 0.111 0.000 0.993 414 V HN 0.724 nan 8.190 nan 0.000 0.477 415 W N 7.307 128.672 121.300 0.108 0.000 2.272 415 W HA 0.412 5.080 4.660 0.013 0.000 0.318 415 W C 0.071 176.658 176.519 0.114 0.000 1.255 415 W CA -0.546 56.869 57.345 0.117 0.000 1.200 415 W CB 0.545 30.060 29.460 0.093 0.000 1.170 415 W HN 0.311 nan 8.180 nan 0.000 0.549 416 K N 3.504 123.479 120.400 -0.709 0.000 2.345 416 K HA 0.145 4.472 4.320 0.013 0.000 0.255 416 K C 0.703 176.620 176.600 -1.140 0.000 0.934 416 K CA -0.138 55.707 56.287 -0.736 0.000 0.801 416 K CB 1.980 34.288 32.500 -0.321 0.000 1.137 416 K HN 0.629 nan 8.250 nan 0.000 0.424 417 S N 0.649 115.736 115.700 -1.022 0.000 2.562 417 S HA -0.057 4.421 4.470 0.013 0.000 0.221 417 S C 1.357 175.869 174.600 -0.146 0.000 0.975 417 S CA 0.697 58.543 58.200 -0.589 0.000 0.918 417 S CB -0.046 62.975 63.200 -0.298 0.000 0.772 417 S HN 0.550 nan 8.310 nan 0.000 0.531 418 T N 3.583 118.007 114.554 -0.217 0.000 2.597 418 T HA -0.214 4.143 4.350 0.013 0.000 0.267 418 T C 2.322 176.935 174.700 -0.145 0.000 1.053 418 T CA 2.426 64.441 62.100 -0.143 0.000 1.165 418 T CB -0.959 67.819 68.868 -0.151 0.000 0.863 418 T HN 0.828 nan 8.240 nan 0.000 0.427 419 S N 1.487 117.022 115.700 -0.275 0.000 2.359 419 S HA -0.127 4.351 4.470 0.013 0.000 0.224 419 S C 1.889 176.315 174.600 -0.290 0.000 1.035 419 S CA 1.352 59.341 58.200 -0.351 0.000 1.018 419 S CB -1.176 61.683 63.200 -0.568 0.000 0.876 419 S HN 0.526 nan 8.310 nan 0.000 0.448 420 F N 2.726 122.674 119.950 -0.004 0.000 2.102 420 F HA -0.026 4.510 4.527 0.016 0.000 0.298 420 F C 2.567 178.396 175.800 0.048 0.000 1.105 420 F CA 1.157 59.189 58.000 0.054 0.000 1.239 420 F CB -0.656 38.424 39.000 0.133 0.000 0.991 420 F HN 0.140 nan 8.300 nan 0.000 0.474 421 D N 0.209 120.726 120.400 0.196 0.000 2.182 421 D HA -0.147 4.500 4.640 0.013 0.000 0.201 421 D C 2.235 178.578 176.300 0.072 0.000 0.986 421 D CA 1.139 55.211 54.000 0.120 0.000 0.847 421 D CB -0.373 40.472 40.800 0.075 0.000 0.942 421 D HN 0.314 nan 8.370 nan 0.000 0.467 422 R N -0.381 120.137 120.500 0.031 0.000 2.093 422 R HA 0.126 4.473 4.340 0.013 0.000 0.224 422 R C 2.510 178.821 176.300 0.018 0.000 1.101 422 R CA 0.540 56.645 56.100 0.010 0.000 0.979 422 R CB -0.034 30.250 30.300 -0.027 0.000 0.877 422 R HN 0.197 nan 8.270 nan 0.000 0.441 423 M N -0.002 119.614 119.600 0.026 0.000 2.099 423 M HA -0.180 4.308 4.480 0.013 0.000 0.262 423 M C 2.295 178.633 176.300 0.064 0.000 1.067 423 M CA 1.519 56.840 55.300 0.034 0.000 1.124 423 M CB -0.251 32.382 32.600 0.055 0.000 1.353 423 M HN -0.008 nan 8.290 nan 0.000 0.410 424 Q N 0.370 120.229 119.800 0.098 0.000 2.096 424 Q HA -0.154 4.194 4.340 0.013 0.000 0.204 424 Q C 2.187 178.238 176.000 0.085 0.000 0.982 424 Q CA 2.332 58.197 55.803 0.103 0.000 0.850 424 Q CB -0.406 28.404 28.738 0.120 0.000 0.901 424 Q HN 0.441 nan 8.270 nan 0.000 0.422 425 S N -0.958 114.785 115.700 0.071 0.000 2.387 425 S HA -0.052 4.425 4.470 0.013 0.000 0.226 425 S C 1.924 176.560 174.600 0.060 0.000 1.026 425 S CA 1.096 59.332 58.200 0.061 0.000 0.972 425 S CB -0.420 62.809 63.200 0.048 0.000 0.814 425 S HN 0.485 nan 8.310 nan 0.000 0.477 426 A N 1.762 124.612 122.820 0.050 0.000 1.883 426 A HA 0.031 4.359 4.320 0.013 0.000 0.217 426 A C 2.240 179.877 177.584 0.088 0.000 1.186 426 A CA 1.622 53.686 52.037 0.045 0.000 0.624 426 A CB -0.932 18.072 19.000 0.007 0.000 0.822 426 A HN 0.590 nan 8.150 nan 0.000 0.444 427 L N -0.743 120.543 121.223 0.104 0.000 2.083 427 L HA -0.198 4.150 4.340 0.013 0.000 0.209 427 L C 2.612 179.588 176.870 0.177 0.000 1.083 427 L CA 1.930 56.881 54.840 0.185 0.000 0.752 427 L CB -0.416 41.732 42.059 0.149 0.000 0.899 427 L HN 0.501 nan 8.230 nan 0.000 0.433 428 K N -0.134 120.333 120.400 0.111 0.000 2.057 428 K HA -0.151 4.177 4.320 0.013 0.000 0.206 428 K C 2.003 178.631 176.600 0.046 0.000 1.050 428 K CA 1.770 58.101 56.287 0.074 0.000 0.935 428 K CB -0.063 32.481 32.500 0.073 0.000 0.715 428 K HN 0.129 nan 8.250 nan 0.000 0.439 429 T N 0.724 115.320 114.554 0.069 0.000 2.788 429 T HA -0.146 4.211 4.350 0.013 0.000 0.268 429 T C 1.293 176.041 174.700 0.081 0.000 1.044 429 T CA 1.261 63.397 62.100 0.060 0.000 1.139 429 T CB -0.343 68.565 68.868 0.066 0.000 0.867 429 T HN 0.271 nan 8.240 nan 0.000 0.454 430 F N 1.973 121.889 119.950 -0.057 0.000 2.293 430 F HA 0.168 4.711 4.527 0.028 0.000 0.300 430 F C 2.262 177.981 175.800 -0.135 0.000 1.086 430 F CA 0.403 58.352 58.000 -0.085 0.000 1.375 430 F CB -0.601 38.348 39.000 -0.086 0.000 1.045 430 F HN 0.137 nan 8.300 nan 0.000 0.516 431 A N -0.955 121.693 122.820 -0.287 0.000 1.935 431 A HA 0.077 4.405 4.320 0.013 0.000 0.214 431 A C 2.120 179.345 177.584 -0.599 0.000 1.178 431 A CA 1.562 53.191 52.037 -0.680 0.000 0.640 431 A CB -0.787 17.752 19.000 -0.768 0.000 0.825 431 A HN 0.191 nan 8.150 nan 0.000 0.447 432 V N -0.336 119.425 119.914 -0.255 0.000 3.085 432 V HA 0.065 4.193 4.120 0.013 0.000 0.245 432 V C 0.313 176.373 176.094 -0.056 0.000 1.114 432 V CA 0.610 62.861 62.300 -0.081 0.000 1.108 432 V CB 0.020 31.852 31.823 0.015 0.000 0.798 432 V HN 0.446 nan 8.190 nan 0.000 0.471 433 D N 1.326 121.690 120.400 -0.060 0.000 2.396 433 D HA 0.096 4.744 4.640 0.013 0.000 0.225 433 D C 1.205 177.463 176.300 -0.071 0.000 1.121 433 D CA -0.108 53.867 54.000 -0.042 0.000 0.853 433 D CB 1.589 42.383 40.800 -0.010 0.000 1.043 433 D HN 0.607 nan 8.370 nan 0.000 0.500 434 E N 1.172 121.316 120.200 -0.093 0.000 2.347 434 E HA -0.154 4.204 4.350 0.013 0.000 0.196 434 E C 1.133 177.683 176.600 -0.083 0.000 1.008 434 E CA 0.795 57.115 56.400 -0.133 0.000 0.852 434 E CB -0.093 29.522 29.700 -0.142 0.000 0.783 434 E HN 0.344 nan 8.360 nan 0.000 0.505 435 T N -1.071 113.456 114.554 -0.046 0.000 3.148 435 T HA 0.024 4.382 4.350 0.013 0.000 0.253 435 T C 1.881 176.578 174.700 -0.003 0.000 1.134 435 T CA 0.594 62.678 62.100 -0.026 0.000 1.051 435 T CB 0.090 68.943 68.868 -0.025 0.000 0.959 435 T HN 0.234 nan 8.240 nan 0.000 0.525 436 S N 1.184 116.893 115.700 0.014 0.000 2.406 436 S HA 0.137 4.615 4.470 0.013 0.000 0.228 436 S C 0.785 175.428 174.600 0.071 0.000 1.020 436 S CA 0.374 58.604 58.200 0.051 0.000 0.965 436 S CB -0.709 62.545 63.200 0.090 0.000 0.798 436 S HN 0.883 nan 8.310 nan 0.000 0.488 437 V N -1.211 118.753 119.914 0.084 0.000 3.159 437 V HA 0.697 4.824 4.120 0.013 0.000 0.308 437 V C 1.066 177.201 176.094 0.068 0.000 1.190 437 V CA -0.350 62.005 62.300 0.091 0.000 1.037 437 V CB 1.186 33.097 31.823 0.147 0.000 1.060 437 V HN 0.235 nan 8.190 nan 0.000 0.437 438 S N 0.463 116.213 115.700 0.083 0.000 2.399 438 S HA 0.250 4.727 4.470 0.013 0.000 0.231 438 S C 1.592 176.238 174.600 0.076 0.000 1.022 438 S CA 1.871 60.120 58.200 0.081 0.000 0.983 438 S CB -0.210 63.061 63.200 0.118 0.000 0.803 438 S HN 2.669 nan 8.310 nan 0.000 0.480 439 G N 0.406 109.262 108.800 0.093 0.000 2.905 439 G HA2 -0.321 3.647 3.960 0.013 0.000 0.199 439 G HA3 -0.321 3.647 3.960 0.013 0.000 0.199 439 G C 0.688 175.701 174.900 0.188 0.000 1.370 439 G CA 0.346 45.479 45.100 0.054 0.000 0.966 439 G HN 0.462 nan 8.290 nan 0.000 0.522 440 Y N 2.119 122.510 120.300 0.153 0.000 2.181 440 Y HA 0.120 4.671 4.550 0.003 0.000 0.288 440 Y C 2.739 178.727 175.900 0.146 0.000 1.146 440 Y CA 2.428 60.640 58.100 0.186 0.000 1.164 440 Y CB -0.296 38.232 38.460 0.114 0.000 0.982 440 Y HN 0.393 nan 8.280 nan 0.000 0.515 441 I N -0.721 119.904 120.570 0.092 0.000 2.226 441 I HA -0.335 3.843 4.170 0.013 0.000 0.245 441 I C 2.276 178.362 176.117 -0.052 0.000 1.100 441 I CA 1.818 63.102 61.300 -0.026 0.000 1.374 441 I CB -0.660 37.382 38.000 0.069 0.000 1.057 441 I HN 0.354 nan 8.210 nan 0.000 0.413 442 Y N 1.596 121.839 120.300 -0.094 0.000 2.070 442 Y HA -0.349 4.207 4.550 0.010 0.000 0.280 442 Y C 2.835 178.601 175.900 -0.223 0.000 1.148 442 Y CA 1.941 59.975 58.100 -0.109 0.000 1.125 442 Y CB -0.530 37.802 38.460 -0.213 0.000 0.975 442 Y HN 0.177 nan 8.280 nan 0.000 0.492 443 H N -0.054 118.973 119.070 -0.072 0.000 2.387 443 H HA -0.129 4.434 4.556 0.012 0.000 0.299 443 H C 2.113 177.224 175.328 -0.362 0.000 1.099 443 H CA 1.845 57.762 56.048 -0.219 0.000 1.315 443 H CB -0.099 29.698 29.762 0.058 0.000 1.380 443 H HN 0.252 nan 8.280 nan 0.000 0.513 444 K N 0.610 120.850 120.400 -0.267 0.000 2.076 444 K HA 0.025 4.353 4.320 0.013 0.000 0.204 444 K C 2.384 178.843 176.600 -0.235 0.000 1.051 444 K CA 0.342 56.451 56.287 -0.297 0.000 0.949 444 K CB -0.223 32.003 32.500 -0.455 0.000 0.726 444 K HN 0.138 nan 8.250 nan 0.000 0.443 445 L N 0.216 121.280 121.223 -0.265 0.000 2.201 445 L HA -0.066 4.282 4.340 0.013 0.000 0.212 445 L C 1.629 178.368 176.870 -0.218 0.000 1.105 445 L CA 0.759 55.450 54.840 -0.250 0.000 0.775 445 L CB -0.201 41.648 42.059 -0.349 0.000 0.913 445 L HN 0.123 nan 8.230 nan 0.000 0.440 446 L N -0.443 120.567 121.223 -0.356 0.000 2.591 446 L HA 0.159 4.507 4.340 0.013 0.000 0.228 446 L C 1.478 178.277 176.870 -0.119 0.000 1.133 446 L CA 0.534 55.190 54.840 -0.306 0.000 0.880 446 L CB -0.442 41.117 42.059 -0.833 0.000 1.033 446 L HN 0.493 nan 8.230 nan 0.000 0.450 447 G N -0.334 108.410 108.800 -0.094 0.000 2.162 447 G HA2 -0.281 3.687 3.960 0.013 0.000 0.260 447 G HA3 -0.281 3.687 3.960 0.013 0.000 0.260 447 G C 0.184 175.154 174.900 0.115 0.000 0.976 447 G CA -0.032 45.083 45.100 0.025 0.000 0.655 447 G HN 0.551 nan 8.290 nan 0.000 0.533 448 H N 0.534 119.608 119.070 0.007 0.000 2.790 448 H HA 0.337 4.903 4.556 0.017 0.000 0.358 448 H C -0.057 175.253 175.328 -0.031 0.000 1.103 448 H CA -0.277 55.775 56.048 0.006 0.000 1.426 448 H CB 0.713 30.515 29.762 0.067 0.000 1.424 448 H HN 0.073 nan 8.280 nan 0.000 0.599 449 E N 2.881 123.131 120.200 0.083 0.000 2.046 449 E HA 0.154 4.512 4.350 0.013 0.000 0.279 449 E C -0.679 175.920 176.600 -0.001 0.000 0.989 449 E CA -0.398 56.019 56.400 0.029 0.000 0.798 449 E CB 0.947 30.657 29.700 0.017 0.000 1.086 449 E HN 0.369 nan 8.360 nan 0.000 0.399 450 V N 0.539 120.464 119.914 0.019 0.000 2.769 450 V HA 0.482 4.609 4.120 0.013 0.000 0.312 450 V C 0.291 176.463 176.094 0.130 0.000 1.061 450 V CA -1.326 61.001 62.300 0.046 0.000 0.931 450 V CB 2.012 33.879 31.823 0.072 0.000 1.010 450 V HN 0.302 nan 8.190 nan 0.000 0.433 451 E N 2.019 122.288 120.200 0.115 0.000 2.415 451 E HA 0.128 4.485 4.350 0.013 0.000 0.262 451 E C -0.119 176.576 176.600 0.158 0.000 1.038 451 E CA 0.205 56.667 56.400 0.103 0.000 0.921 451 E CB 0.344 30.078 29.700 0.056 0.000 0.950 451 E HN 0.816 nan 8.360 nan 0.000 0.438 452 D N 0.984 121.446 120.400 0.104 0.000 2.419 452 D HA 0.093 4.741 4.640 0.013 0.000 0.236 452 D C -0.685 175.569 176.300 -0.076 0.000 1.165 452 D CA 0.251 54.288 54.000 0.061 0.000 0.882 452 D CB 0.762 41.584 40.800 0.037 0.000 1.201 452 D HN 0.039 nan 8.370 nan 0.000 0.443 453 V N 2.354 122.124 119.914 -0.240 0.000 2.735 453 V HA 0.421 4.548 4.120 0.013 0.000 0.310 453 V C 0.138 176.115 176.094 -0.194 0.000 1.061 453 V CA -0.768 61.357 62.300 -0.292 0.000 0.913 453 V CB 2.033 33.512 31.823 -0.573 0.000 1.005 453 V HN 0.327 nan 8.190 nan 0.000 0.428 454 I N 4.867 125.361 120.570 -0.125 0.000 2.389 454 I HA 0.397 4.575 4.170 0.013 0.000 0.288 454 I C -0.474 175.599 176.117 -0.073 0.000 0.999 454 I CA -0.645 60.606 61.300 -0.081 0.000 1.129 454 I CB 1.667 39.639 38.000 -0.047 0.000 1.288 454 I HN 0.358 nan 8.210 nan 0.000 0.444 455 I N 6.377 126.909 120.570 -0.063 0.000 2.533 455 I HA 0.047 4.224 4.170 0.013 0.000 0.284 455 I C 0.779 176.880 176.117 -0.027 0.000 1.109 455 I CA 0.167 61.441 61.300 -0.043 0.000 1.412 455 I CB 0.182 38.164 38.000 -0.030 0.000 1.396 455 I HN 0.570 nan 8.210 nan 0.000 0.543 456 K N 5.210 125.595 120.400 -0.024 0.000 3.101 456 K HA 0.183 4.511 4.320 0.013 0.000 0.229 456 K C 0.293 176.885 176.600 -0.014 0.000 1.232 456 K CA -0.366 55.910 56.287 -0.017 0.000 1.210 456 K CB 0.077 32.566 32.500 -0.018 0.000 1.284 456 K HN 0.796 nan 8.250 nan 0.000 0.448 457 C N -0.973 118.320 119.300 -0.012 0.000 2.705 457 C HA 0.151 4.618 4.460 0.013 0.000 0.348 457 C C 0.798 175.777 174.990 -0.019 0.000 1.386 457 C CA -0.990 58.020 59.018 -0.014 0.000 2.361 457 C CB 0.134 27.869 27.740 -0.008 0.000 2.486 457 C HN 0.537 nan 8.230 nan 0.000 0.728 458 Q N 0.683 120.466 119.800 -0.028 0.000 2.323 458 Q HA 0.399 4.747 4.340 0.013 0.000 0.257 458 Q C -0.692 175.269 176.000 -0.065 0.000 1.022 458 Q CA -0.116 55.662 55.803 -0.041 0.000 0.919 458 Q CB 0.333 29.046 28.738 -0.042 0.000 1.220 458 Q HN 0.725 nan 8.270 nan 0.000 0.427 459 L N 6.281 127.461 121.223 -0.072 0.000 2.426 459 L HA 0.286 4.634 4.340 0.013 0.000 0.271 459 L C -1.824 174.893 176.870 -0.255 0.000 1.169 459 L CA -1.863 52.897 54.840 -0.133 0.000 0.836 459 L CB 0.293 42.323 42.059 -0.049 0.000 1.112 459 L HN 0.574 nan 8.230 nan 0.000 0.465 460 P HA 0.113 nan 4.420 nan 0.000 0.274 460 P C 0.019 177.003 177.300 -0.525 0.000 1.231 460 P CA -0.522 62.281 63.100 -0.495 0.000 0.790 460 P CB 0.894 32.173 31.700 -0.701 0.000 0.951 461 K N 1.245 121.475 120.400 -0.284 0.000 2.103 461 K HA -0.071 4.256 4.320 0.013 0.000 0.204 461 K C 0.819 177.302 176.600 -0.194 0.000 1.052 461 K CA 0.824 56.998 56.287 -0.188 0.000 0.945 461 K CB 0.171 32.619 32.500 -0.086 0.000 0.722 461 K HN 0.340 nan 8.250 nan 0.000 0.443 462 R N -0.311 120.074 120.500 -0.192 0.000 2.393 462 R HA 0.133 4.480 4.340 0.013 0.000 0.315 462 R C -0.371 175.858 176.300 -0.118 0.000 0.952 462 R CA -0.354 55.697 56.100 -0.081 0.000 0.842 462 R CB 0.566 30.867 30.300 0.002 0.000 1.163 462 R HN -0.009 nan 8.270 nan 0.000 0.450 463 F N 1.071 121.049 119.950 0.048 0.000 2.335 463 F HA 0.057 4.589 4.527 0.008 0.000 0.296 463 F C 1.045 176.995 175.800 0.250 0.000 1.091 463 F CA 0.437 58.489 58.000 0.088 0.000 1.399 463 F CB 0.358 39.371 39.000 0.021 0.000 1.067 463 F HN 0.436 nan 8.300 nan 0.000 0.520 464 T N 1.532 116.243 114.554 0.261 0.000 2.946 464 T HA 0.315 4.673 4.350 0.013 0.000 0.311 464 T C 0.210 174.910 174.700 -0.000 0.000 1.063 464 T CA -0.042 62.120 62.100 0.103 0.000 1.139 464 T CB 0.620 69.507 68.868 0.031 0.000 0.994 464 T HN 0.190 nan 8.240 nan 0.000 0.547 465 A N 2.749 125.445 122.820 -0.207 0.000 2.306 465 A HA 0.592 4.919 4.320 0.013 0.000 0.330 465 A C 0.144 177.422 177.584 -0.510 0.000 1.146 465 A CA -0.809 50.835 52.037 -0.655 0.000 0.827 465 A CB 0.755 19.114 19.000 -1.068 0.000 1.178 465 A HN 0.690 nan 8.150 nan 0.000 0.490 466 Q N 0.399 119.850 119.800 -0.581 0.000 2.269 466 Q HA 0.362 4.710 4.340 0.013 0.000 0.300 466 Q C 1.214 177.053 176.000 -0.269 0.000 1.070 466 Q CA 2.207 57.826 55.803 -0.306 0.000 0.957 466 Q CB 0.013 28.630 28.738 -0.202 0.000 1.131 466 Q HN 2.044 nan 8.270 nan 0.000 0.377 467 G N 2.737 111.434 108.800 -0.172 0.000 2.241 467 G HA2 -0.254 3.714 3.960 0.013 0.000 0.244 467 G HA3 -0.254 3.714 3.960 0.013 0.000 0.244 467 G C -0.137 174.688 174.900 -0.125 0.000 0.998 467 G CA 0.184 45.204 45.100 -0.134 0.000 0.621 467 G HN 0.539 nan 8.290 nan 0.000 0.519 468 L N 1.133 122.264 121.223 -0.154 0.000 2.332 468 L HA 0.592 4.939 4.340 0.013 0.000 0.269 468 L C -1.724 175.077 176.870 -0.116 0.000 1.016 468 L CA -2.406 52.356 54.840 -0.130 0.000 0.809 468 L CB 1.125 43.099 42.059 -0.143 0.000 1.280 468 L HN -0.105 nan 8.230 nan 0.000 0.447 469 P HA 0.012 nan 4.420 nan 0.000 0.270 469 P C -1.202 176.042 177.300 -0.093 0.000 1.223 469 P CA -0.293 62.739 63.100 -0.113 0.000 0.785 469 P CB 0.332 31.933 31.700 -0.164 0.000 0.923 470 D N 1.699 122.055 120.400 -0.073 0.000 2.363 470 D HA 0.053 4.701 4.640 0.013 0.000 0.263 470 D C 0.173 176.449 176.300 -0.040 0.000 1.258 470 D CA 0.032 54.005 54.000 -0.045 0.000 0.907 470 D CB 0.321 41.102 40.800 -0.033 0.000 1.107 470 D HN 0.111 nan 8.370 nan 0.000 0.495 471 L N 3.580 124.792 121.223 -0.018 0.000 2.559 471 L HA -0.094 4.253 4.340 0.013 0.000 0.282 471 L C 1.001 177.859 176.870 -0.021 0.000 1.232 471 L CA 0.293 55.130 54.840 -0.005 0.000 0.885 471 L CB -0.248 41.833 42.059 0.036 0.000 1.131 471 L HN 0.426 nan 8.230 nan 0.000 0.498 472 N N 1.263 119.969 118.700 0.010 0.000 2.447 472 N HA 0.115 4.863 4.740 0.013 0.000 0.271 472 N C 1.026 176.524 175.510 -0.020 0.000 1.226 472 N CA -0.249 52.796 53.050 -0.009 0.000 0.980 472 N CB 0.200 38.756 38.487 0.116 0.000 1.206 472 N HN 0.426 nan 8.380 nan 0.000 0.558 473 H N -0.655 118.443 119.070 0.046 0.000 2.319 473 H HA -0.154 4.409 4.556 0.012 0.000 0.297 473 H C 1.888 177.246 175.328 0.050 0.000 1.097 473 H CA 2.351 58.417 56.048 0.029 0.000 1.285 473 H CB -0.418 29.347 29.762 0.005 0.000 1.368 473 H HN 0.772 nan 8.280 nan 0.000 0.495 474 S N 0.622 116.431 115.700 0.182 0.000 2.382 474 S HA -0.159 4.318 4.470 0.013 0.000 0.228 474 S C 1.989 176.680 174.600 0.151 0.000 1.027 474 S CA 1.073 59.370 58.200 0.162 0.000 0.991 474 S CB -0.242 63.028 63.200 0.116 0.000 0.823 474 S HN 0.473 nan 8.310 nan 0.000 0.469 475 Q N 0.546 120.406 119.800 0.100 0.000 2.123 475 Q HA 0.053 4.400 4.340 0.013 0.000 0.199 475 Q C 2.402 178.407 176.000 0.008 0.000 0.966 475 Q CA 1.315 57.152 55.803 0.057 0.000 0.845 475 Q CB -0.424 28.343 28.738 0.049 0.000 0.907 475 Q HN 0.473 nan 8.270 nan 0.000 0.439 476 V N 0.408 120.318 119.914 -0.006 0.000 2.343 476 V HA -0.282 3.846 4.120 0.013 0.000 0.247 476 V C 1.970 177.940 176.094 -0.207 0.000 1.051 476 V CA 1.880 64.099 62.300 -0.135 0.000 1.036 476 V CB -0.635 31.133 31.823 -0.091 0.000 0.654 476 V HN 0.392 nan 8.190 nan 0.000 0.451 477 Y N 1.296 121.508 120.300 -0.146 0.000 2.224 477 Y HA -0.170 4.393 4.550 0.022 0.000 0.289 477 Y C 2.293 178.124 175.900 -0.115 0.000 1.146 477 Y CA 1.273 59.296 58.100 -0.128 0.000 1.182 477 Y CB -0.568 37.863 38.460 -0.048 0.000 0.983 477 Y HN 0.156 nan 8.280 nan 0.000 0.524 478 A N -0.756 121.953 122.820 -0.186 0.000 1.854 478 A HA -0.086 4.241 4.320 0.013 0.000 0.214 478 A C 2.332 179.805 177.584 -0.185 0.000 1.192 478 A CA 1.848 53.759 52.037 -0.209 0.000 0.611 478 A CB -1.247 17.729 19.000 -0.040 0.000 0.832 478 A HN 0.270 nan 8.150 nan 0.000 0.442 479 V N 0.541 120.380 119.914 -0.125 0.000 2.343 479 V HA -0.271 3.856 4.120 0.013 0.000 0.247 479 V C 2.529 178.568 176.094 -0.091 0.000 1.051 479 V CA 2.417 64.696 62.300 -0.035 0.000 1.036 479 V CB -0.738 31.144 31.823 0.097 0.000 0.654 479 V HN 0.706 nan 8.190 nan 0.000 0.451 480 K N 0.151 120.335 120.400 -0.361 0.000 2.002 480 K HA -0.191 4.137 4.320 0.013 0.000 0.209 480 K C 2.188 178.683 176.600 -0.174 0.000 1.048 480 K CA 2.129 58.194 56.287 -0.370 0.000 0.930 480 K CB -0.394 31.705 32.500 -0.669 0.000 0.714 480 K HN 0.489 nan 8.250 nan 0.000 0.438 481 T N 0.464 114.839 114.554 -0.298 0.000 2.788 481 T HA -0.098 4.259 4.350 0.013 0.000 0.268 481 T C 1.829 176.443 174.700 -0.144 0.000 1.044 481 T CA 1.281 63.221 62.100 -0.267 0.000 1.139 481 T CB -0.082 68.482 68.868 -0.507 0.000 0.867 481 T HN 0.013 nan 8.240 nan 0.000 0.454 482 V N 1.156 120.997 119.914 -0.122 0.000 2.667 482 V HA 0.034 4.162 4.120 0.013 0.000 0.252 482 V C 2.271 178.359 176.094 -0.010 0.000 1.065 482 V CA 1.072 63.339 62.300 -0.055 0.000 1.083 482 V CB -0.469 31.333 31.823 -0.036 0.000 0.692 482 V HN 0.452 nan 8.190 nan 0.000 0.468 483 L N -0.554 120.675 121.223 0.011 0.000 2.291 483 L HA -0.119 4.228 4.340 0.013 0.000 0.214 483 L C 2.081 178.960 176.870 0.015 0.000 1.120 483 L CA 1.197 56.060 54.840 0.037 0.000 0.799 483 L CB -0.296 41.809 42.059 0.077 0.000 0.925 483 L HN 0.397 nan 8.230 nan 0.000 0.446 484 Q N -0.511 119.286 119.800 -0.004 0.000 2.247 484 Q HA 0.195 4.543 4.340 0.013 0.000 0.204 484 Q C -0.023 175.958 176.000 -0.031 0.000 0.872 484 Q CA 0.004 55.799 55.803 -0.015 0.000 0.951 484 Q CB 0.739 29.470 28.738 -0.013 0.000 1.099 484 Q HN 0.334 nan 8.270 nan 0.000 0.501 485 R N 0.918 121.402 120.500 -0.027 0.000 2.561 485 R HA 0.225 4.573 4.340 0.013 0.000 0.297 485 R C -2.100 174.198 176.300 -0.003 0.000 0.969 485 R CA -1.921 54.163 56.100 -0.026 0.000 0.879 485 R CB 1.444 31.736 30.300 -0.014 0.000 1.178 485 R HN -0.155 nan 8.270 nan 0.000 0.445 486 P HA -0.079 nan 4.420 nan 0.000 0.225 486 P C -0.251 177.131 177.300 0.137 0.000 1.148 486 P CA 0.783 63.920 63.100 0.062 0.000 0.779 486 P CB 0.331 32.051 31.700 0.034 0.000 0.780 487 L N -1.512 119.796 121.223 0.142 0.000 2.526 487 L HA 0.550 4.897 4.340 0.013 0.000 0.263 487 L C -1.441 175.449 176.870 0.033 0.000 0.943 487 L CA -0.309 54.584 54.840 0.089 0.000 0.859 487 L CB 2.193 44.315 42.059 0.105 0.000 1.313 487 L HN -0.355 nan 8.230 nan 0.000 0.406 488 S N 4.846 120.540 115.700 -0.011 0.000 2.537 488 S HA 0.746 5.224 4.470 0.013 0.000 0.271 488 S C -1.421 173.138 174.600 -0.070 0.000 1.148 488 S CA -0.785 57.391 58.200 -0.040 0.000 0.868 488 S CB 1.701 64.884 63.200 -0.029 0.000 1.115 488 S HN 0.607 nan 8.310 nan 0.000 0.461 489 L N 2.197 123.347 121.223 -0.121 0.000 2.346 489 L HA 0.650 4.998 4.340 0.013 0.000 0.276 489 L C -1.081 175.806 176.870 0.029 0.000 1.006 489 L CA -0.742 53.999 54.840 -0.166 0.000 0.817 489 L CB 1.310 42.971 42.059 -0.663 0.000 1.272 489 L HN 0.565 nan 8.230 nan 0.000 0.421 490 I N 2.639 123.340 120.570 0.219 0.000 2.382 490 I HA 0.236 4.414 4.170 0.013 0.000 0.286 490 I C -0.103 176.227 176.117 0.355 0.000 1.002 490 I CA -0.273 61.158 61.300 0.218 0.000 1.135 490 I CB 1.985 40.065 38.000 0.134 0.000 1.288 490 I HN 0.644 nan 8.210 nan 0.000 0.448 491 Q N 5.048 125.056 119.800 0.347 0.000 2.267 491 Q HA 0.519 4.866 4.340 0.013 0.000 0.255 491 Q C -0.236 175.854 176.000 0.149 0.000 0.923 491 Q CA -0.497 55.498 55.803 0.320 0.000 0.925 491 Q CB 1.559 30.535 28.738 0.396 0.000 1.195 491 Q HN 0.847 nan 8.270 nan 0.000 0.417 492 G N 5.136 113.977 108.800 0.069 0.000 2.938 492 G HA2 0.406 4.374 3.960 0.013 0.000 0.308 492 G HA3 0.406 4.374 3.960 0.013 0.000 0.308 492 G C -2.780 172.090 174.900 -0.049 0.000 1.422 492 G CA -1.216 43.889 45.100 0.009 0.000 1.071 492 G HN 0.494 nan 8.290 nan 0.000 0.530 493 P HA 0.107 nan 4.420 nan 0.000 0.270 493 P C -2.505 174.692 177.300 -0.170 0.000 1.227 493 P CA -0.985 61.929 63.100 -0.310 0.000 0.788 493 P CB 0.084 31.323 31.700 -0.770 0.000 0.926 494 P HA -0.052 nan 4.420 nan 0.000 0.255 494 P C 0.882 178.148 177.300 -0.057 0.000 1.161 494 P CA 2.016 65.076 63.100 -0.066 0.000 0.768 494 P CB -0.577 31.096 31.700 -0.046 0.000 0.746 495 G N 2.676 111.464 108.800 -0.020 0.000 2.136 495 G HA2 -0.268 3.699 3.960 0.013 0.000 0.242 495 G HA3 -0.268 3.699 3.960 0.013 0.000 0.242 495 G C 0.676 175.629 174.900 0.088 0.000 0.989 495 G CA 0.449 45.563 45.100 0.024 0.000 0.682 495 G HN 0.574 nan 8.290 nan 0.000 0.522 496 T N -2.132 112.450 114.554 0.048 0.000 3.144 496 T HA 0.471 4.828 4.350 0.013 0.000 0.249 496 T C 1.859 176.625 174.700 0.110 0.000 1.089 496 T CA 1.047 63.204 62.100 0.095 0.000 0.989 496 T CB 0.564 69.433 68.868 0.001 0.000 0.992 496 T HN 2.153 nan 8.240 nan 0.000 0.540 497 G N 1.883 110.711 108.800 0.047 0.000 2.255 497 G HA2 -0.242 3.725 3.960 0.013 0.000 0.239 497 G HA3 -0.242 3.725 3.960 0.013 0.000 0.239 497 G C 0.605 175.504 174.900 -0.001 0.000 1.083 497 G CA 0.182 45.275 45.100 -0.011 0.000 0.826 497 G HN 0.497 nan 8.290 nan 0.000 0.493 498 K N -0.795 119.606 120.400 0.002 0.000 2.032 498 K HA -0.096 4.231 4.320 0.013 0.000 0.209 498 K C 2.589 179.189 176.600 -0.000 0.000 1.048 498 K CA 2.051 58.342 56.287 0.006 0.000 0.927 498 K CB -0.154 32.345 32.500 -0.002 0.000 0.712 498 K HN 0.425 nan 8.250 nan 0.000 0.441 499 T N 0.619 115.165 114.554 -0.013 0.000 2.894 499 T HA -0.038 4.320 4.350 0.013 0.000 0.258 499 T C 2.047 176.733 174.700 -0.023 0.000 1.043 499 T CA 0.662 62.752 62.100 -0.017 0.000 1.141 499 T CB -0.071 68.784 68.868 -0.021 0.000 0.873 499 T HN -0.085 nan 8.240 nan 0.000 0.449 500 V N 2.092 121.982 119.914 -0.040 0.000 2.287 500 V HA -0.220 3.907 4.120 0.013 0.000 0.248 500 V C 2.810 178.887 176.094 -0.028 0.000 1.053 500 V CA 2.161 64.429 62.300 -0.053 0.000 1.027 500 V CB -1.211 30.555 31.823 -0.095 0.000 0.646 500 V HN 0.526 nan 8.190 nan 0.000 0.447 501 T N -0.368 114.180 114.554 -0.011 0.000 2.708 501 T HA -0.178 4.180 4.350 0.013 0.000 0.266 501 T C 2.141 176.860 174.700 0.033 0.000 1.037 501 T CA 1.795 63.906 62.100 0.018 0.000 1.146 501 T CB -0.333 68.551 68.868 0.027 0.000 0.865 501 T HN 0.497 nan 8.240 nan 0.000 0.435 502 S N 1.629 117.343 115.700 0.023 0.000 2.365 502 S HA -0.151 4.326 4.470 0.013 0.000 0.225 502 S C 2.569 177.185 174.600 0.026 0.000 1.039 502 S CA 1.181 59.397 58.200 0.026 0.000 1.033 502 S CB -0.681 62.526 63.200 0.013 0.000 0.887 502 S HN 0.612 nan 8.310 nan 0.000 0.447 503 A N 1.076 123.902 122.820 0.010 0.000 1.933 503 A HA -0.109 4.219 4.320 0.013 0.000 0.218 503 A C 2.323 179.918 177.584 0.019 0.000 1.175 503 A CA 2.002 54.043 52.037 0.007 0.000 0.628 503 A CB -1.198 17.793 19.000 -0.015 0.000 0.814 503 A HN 0.503 nan 8.150 nan 0.000 0.444 504 T N 0.211 114.776 114.554 0.019 0.000 2.777 504 T HA -0.056 4.302 4.350 0.013 0.000 0.266 504 T C 1.778 176.555 174.700 0.130 0.000 1.040 504 T CA 1.441 63.563 62.100 0.036 0.000 1.141 504 T CB -0.376 68.532 68.868 0.068 0.000 0.868 504 T HN 0.421 nan 8.240 nan 0.000 0.444 505 I N 0.874 121.529 120.570 0.142 0.000 2.286 505 I HA -0.142 4.036 4.170 0.013 0.000 0.248 505 I C 2.385 178.579 176.117 0.128 0.000 1.115 505 I CA 0.897 62.299 61.300 0.170 0.000 1.392 505 I CB -0.324 37.740 38.000 0.107 0.000 1.065 505 I HN 0.084 nan 8.210 nan 0.000 0.418 506 V N -0.127 119.835 119.914 0.079 0.000 2.548 506 V HA -0.288 3.840 4.120 0.013 0.000 0.249 506 V C 2.213 178.329 176.094 0.037 0.000 1.055 506 V CA 1.579 63.907 62.300 0.046 0.000 1.065 506 V CB -0.768 31.070 31.823 0.025 0.000 0.681 506 V HN 0.423 nan 8.190 nan 0.000 0.462 507 Y N 0.977 121.215 120.300 -0.103 0.000 2.081 507 Y HA -0.308 4.246 4.550 0.006 0.000 0.280 507 Y C 2.737 178.529 175.900 -0.180 0.000 1.163 507 Y CA 2.280 60.265 58.100 -0.191 0.000 1.135 507 Y CB -0.390 37.869 38.460 -0.334 0.000 0.970 507 Y HN 0.360 nan 8.280 nan 0.000 0.498 508 H N -0.295 118.787 119.070 0.021 0.000 2.395 508 H HA -0.045 4.516 4.556 0.007 0.000 0.299 508 H C 2.413 177.685 175.328 -0.093 0.000 1.070 508 H CA 1.670 57.670 56.048 -0.081 0.000 1.356 508 H CB -0.429 29.374 29.762 0.069 0.000 1.401 508 H HN 0.395 nan 8.280 nan 0.000 0.524 509 L N 0.148 121.412 121.223 0.069 0.000 2.131 509 L HA -0.093 4.254 4.340 0.013 0.000 0.210 509 L C 2.672 179.527 176.870 -0.026 0.000 1.092 509 L CA 0.911 55.766 54.840 0.025 0.000 0.759 509 L CB -0.355 41.726 42.059 0.037 0.000 0.903 509 L HN 0.192 nan 8.230 nan 0.000 0.435 510 A N -0.646 122.130 122.820 -0.073 0.000 2.067 510 A HA -0.046 4.282 4.320 0.013 0.000 0.217 510 A C 2.084 179.582 177.584 -0.142 0.000 1.156 510 A CA 0.519 52.501 52.037 -0.092 0.000 0.683 510 A CB -0.208 18.736 19.000 -0.092 0.000 0.808 510 A HN 0.225 nan 8.150 nan 0.000 0.455 511 R N 0.423 120.789 120.500 -0.223 0.000 2.340 511 R HA 0.068 4.415 4.340 0.013 0.000 0.215 511 R C -0.193 176.037 176.300 -0.117 0.000 1.017 511 R CA 0.310 56.272 56.100 -0.230 0.000 1.111 511 R CB -0.099 29.980 30.300 -0.368 0.000 1.049 511 R HN 0.707 nan 8.270 nan 0.000 0.490 512 Q N -1.577 118.176 119.800 -0.077 0.000 2.486 512 Q HA 0.338 4.686 4.340 0.013 0.000 0.274 512 Q C 0.558 176.536 176.000 -0.037 0.000 1.076 512 Q CA -0.725 55.050 55.803 -0.046 0.000 0.872 512 Q CB 0.926 29.647 28.738 -0.028 0.000 1.383 512 Q HN 0.059 nan 8.270 nan 0.000 0.478 513 G N 1.052 109.835 108.800 -0.027 0.000 3.474 513 G HA2 0.078 4.046 3.960 0.013 0.000 0.269 513 G HA3 0.078 4.046 3.960 0.013 0.000 0.269 513 G C -0.147 174.743 174.900 -0.017 0.000 1.339 513 G CA -0.070 45.016 45.100 -0.023 0.000 1.258 513 G HN 0.257 nan 8.290 nan 0.000 0.560 514 N N -0.602 118.090 118.700 -0.013 0.000 2.577 514 N HA 0.491 5.238 4.740 0.013 0.000 0.285 514 N C 0.716 176.227 175.510 0.002 0.000 1.309 514 N CA -0.291 52.756 53.050 -0.005 0.000 0.798 514 N CB 1.211 39.699 38.487 0.002 0.000 1.463 514 N HN 0.089 nan 8.380 nan 0.000 0.518 515 G N 0.248 109.053 108.800 0.008 0.000 2.590 515 G HA2 0.211 4.179 3.960 0.013 0.000 0.276 515 G HA3 0.211 4.179 3.960 0.013 0.000 0.276 515 G C -2.340 172.596 174.900 0.059 0.000 1.337 515 G CA -0.361 44.751 45.100 0.020 0.000 1.030 515 G HN 0.324 nan 8.290 nan 0.000 0.534 516 P HA 0.210 nan 4.420 nan 0.000 0.268 516 P C -0.185 177.228 177.300 0.188 0.000 1.204 516 P CA -0.379 62.805 63.100 0.139 0.000 0.768 516 P CB 0.876 32.697 31.700 0.200 0.000 0.842 517 V N 4.656 124.616 119.914 0.077 0.000 2.555 517 V HA 0.034 4.162 4.120 0.013 0.000 0.286 517 V C 0.597 176.639 176.094 -0.086 0.000 1.044 517 V CA -0.214 62.103 62.300 0.029 0.000 1.026 517 V CB 0.670 32.493 31.823 -0.001 0.000 0.981 517 V HN 0.389 nan 8.190 nan 0.000 0.480 518 L N 7.048 128.149 121.223 -0.203 0.000 2.292 518 L HA 0.602 4.950 4.340 0.013 0.000 0.284 518 L C -0.341 176.387 176.870 -0.236 0.000 1.065 518 L CA 0.399 54.965 54.840 -0.455 0.000 0.806 518 L CB 1.426 43.007 42.059 -0.797 0.000 1.175 518 L HN 0.440 nan 8.230 nan 0.000 0.431 519 V N 5.024 124.811 119.914 -0.212 0.000 2.524 519 V HA 0.496 4.624 4.120 0.013 0.000 0.297 519 V C -0.514 175.505 176.094 -0.125 0.000 1.035 519 V CA -0.490 61.734 62.300 -0.127 0.000 0.867 519 V CB 1.319 33.089 31.823 -0.088 0.000 1.004 519 V HN 0.971 nan 8.190 nan 0.000 0.426 520 c N 2.985 121.524 118.600 -0.101 0.000 3.108 520 c HA 1.065 5.643 4.570 0.013 0.000 0.321 520 c C 0.277 174.328 174.090 -0.064 0.000 1.357 520 c CA -0.574 55.701 56.329 -0.091 0.000 1.562 520 c CB 1.808 44.257 42.510 -0.102 0.000 2.003 520 c HN 1.100 nan 8.230 nan 0.000 0.460 521 A N 0.492 123.276 122.820 -0.060 0.000 2.608 521 A HA 0.758 5.085 4.320 0.013 0.000 0.292 521 A C -2.713 174.841 177.584 -0.049 0.000 1.066 521 A CA -0.687 51.321 52.037 -0.047 0.000 0.676 521 A CB 0.401 19.376 19.000 -0.042 0.000 1.277 521 A HN 0.440 nan 8.150 nan 0.000 0.413 522 P HA -0.039 nan 4.420 nan 0.000 0.217 522 P C 0.665 177.938 177.300 -0.045 0.000 1.150 522 P CA 1.818 64.891 63.100 -0.045 0.000 0.832 522 P CB 0.067 31.746 31.700 -0.036 0.000 0.787 523 S N -1.847 113.829 115.700 -0.040 0.000 2.593 523 S HA 0.301 4.779 4.470 0.013 0.000 0.297 523 S C 0.798 175.374 174.600 -0.039 0.000 1.112 523 S CA -0.720 57.457 58.200 -0.038 0.000 1.043 523 S CB 0.994 64.176 63.200 -0.030 0.000 1.054 523 S HN -0.109 nan 8.310 nan 0.000 0.516 524 N N 0.748 119.425 118.700 -0.039 0.000 2.205 524 N HA -0.067 4.680 4.740 0.013 0.000 0.186 524 N C 1.390 176.880 175.510 -0.032 0.000 1.015 524 N CA 1.194 54.222 53.050 -0.038 0.000 0.862 524 N CB -0.264 38.202 38.487 -0.035 0.000 0.986 524 N HN 0.543 nan 8.380 nan 0.000 0.429 525 I N 0.977 121.530 120.570 -0.028 0.000 2.179 525 I HA -0.192 3.986 4.170 0.013 0.000 0.242 525 I C 2.357 178.460 176.117 -0.024 0.000 1.088 525 I CA 0.924 62.210 61.300 -0.023 0.000 1.357 525 I CB -1.280 36.707 38.000 -0.021 0.000 1.051 525 I HN 0.141 nan 8.210 nan 0.000 0.409 526 A N 0.418 123.222 122.820 -0.027 0.000 1.972 526 A HA -0.131 4.197 4.320 0.013 0.000 0.219 526 A C 2.453 180.018 177.584 -0.032 0.000 1.169 526 A CA 1.626 53.647 52.037 -0.028 0.000 0.635 526 A CB -0.792 18.190 19.000 -0.030 0.000 0.810 526 A HN 0.280 nan 8.150 nan 0.000 0.446 527 V N 0.353 120.244 119.914 -0.038 0.000 2.488 527 V HA -0.167 3.961 4.120 0.013 0.000 0.246 527 V C 2.009 178.076 176.094 -0.046 0.000 1.046 527 V CA 1.930 64.202 62.300 -0.046 0.000 1.053 527 V CB -0.715 31.075 31.823 -0.055 0.000 0.679 527 V HN 0.466 nan 8.190 nan 0.000 0.458 528 D N 0.042 120.418 120.400 -0.039 0.000 2.117 528 D HA -0.184 4.464 4.640 0.013 0.000 0.197 528 D C 2.309 178.593 176.300 -0.026 0.000 0.987 528 D CA 1.268 55.246 54.000 -0.037 0.000 0.829 528 D CB -0.188 40.596 40.800 -0.026 0.000 0.961 528 D HN 0.496 nan 8.370 nan 0.000 0.460 529 Q N -0.296 119.492 119.800 -0.020 0.000 2.124 529 Q HA -0.105 4.243 4.340 0.013 0.000 0.202 529 Q C 2.097 178.089 176.000 -0.013 0.000 0.977 529 Q CA 0.567 56.362 55.803 -0.013 0.000 0.850 529 Q CB -0.039 28.691 28.738 -0.013 0.000 0.901 529 Q HN 0.145 nan 8.270 nan 0.000 0.429 530 L N 0.100 121.310 121.223 -0.021 0.000 2.109 530 L HA -0.097 4.251 4.340 0.013 0.000 0.207 530 L C 2.029 178.888 176.870 -0.019 0.000 1.086 530 L CA 1.797 56.625 54.840 -0.020 0.000 0.760 530 L CB -0.653 41.391 42.059 -0.026 0.000 0.910 530 L HN 0.114 nan 8.230 nan 0.000 0.437 531 T N -0.776 113.759 114.554 -0.032 0.000 2.746 531 T HA -0.231 4.126 4.350 0.013 0.000 0.267 531 T C 1.746 176.441 174.700 -0.009 0.000 1.039 531 T CA 1.672 63.745 62.100 -0.044 0.000 1.142 531 T CB -0.092 68.724 68.868 -0.087 0.000 0.866 531 T HN 0.440 nan 8.240 nan 0.000 0.444 532 E N 0.654 120.859 120.200 0.008 0.000 2.051 532 E HA -0.150 4.208 4.350 0.013 0.000 0.192 532 E C 2.185 178.838 176.600 0.089 0.000 0.991 532 E CA 0.925 57.364 56.400 0.065 0.000 0.799 532 E CB 0.119 29.851 29.700 0.053 0.000 0.748 532 E HN 0.260 nan 8.360 nan 0.000 0.449 533 K N 0.301 120.723 120.400 0.037 0.000 2.103 533 K HA -0.092 4.236 4.320 0.013 0.000 0.204 533 K C 2.118 178.728 176.600 0.015 0.000 1.052 533 K CA 0.561 56.856 56.287 0.014 0.000 0.945 533 K CB -0.054 32.439 32.500 -0.011 0.000 0.722 533 K HN 0.266 nan 8.250 nan 0.000 0.443 534 I N 1.041 121.629 120.570 0.029 0.000 2.286 534 I HA -0.257 3.920 4.170 0.013 0.000 0.248 534 I C 2.500 178.655 176.117 0.064 0.000 1.115 534 I CA 1.409 62.730 61.300 0.037 0.000 1.392 534 I CB -1.275 36.740 38.000 0.026 0.000 1.065 534 I HN 0.322 nan 8.210 nan 0.000 0.418 535 H N 1.419 120.484 119.070 -0.009 0.000 2.423 535 H HA -0.131 4.431 4.556 0.010 0.000 0.297 535 H C 1.817 177.162 175.328 0.028 0.000 1.075 535 H CA 1.213 57.268 56.048 0.011 0.000 1.342 535 H CB 0.360 30.136 29.762 0.023 0.000 1.395 535 H HN 0.431 nan 8.280 nan 0.000 0.530 536 Q N 0.002 119.778 119.800 -0.039 0.000 2.437 536 Q HA -0.070 4.278 4.340 0.013 0.000 0.210 536 Q C 1.843 177.764 176.000 -0.132 0.000 0.972 536 Q CA 1.499 57.241 55.803 -0.101 0.000 0.903 536 Q CB 0.222 28.937 28.738 -0.038 0.000 0.967 536 Q HN 0.508 nan 8.270 nan 0.000 0.486 537 T N -4.623 109.867 114.554 -0.107 0.000 3.107 537 T HA 0.315 4.672 4.350 0.013 0.000 0.249 537 T C 1.316 176.006 174.700 -0.017 0.000 1.096 537 T CA 0.422 62.460 62.100 -0.104 0.000 1.012 537 T CB 0.687 69.503 68.868 -0.087 0.000 0.977 537 T HN 0.362 nan 8.240 nan 0.000 0.527 538 G N 1.174 109.933 108.800 -0.069 0.000 2.195 538 G HA2 -0.201 3.767 3.960 0.013 0.000 0.246 538 G HA3 -0.201 3.767 3.960 0.013 0.000 0.246 538 G C -0.017 174.882 174.900 -0.001 0.000 0.984 538 G CA 0.026 45.100 45.100 -0.044 0.000 0.633 538 G HN 0.616 nan 8.290 nan 0.000 0.525 539 L N 0.284 121.525 121.223 0.030 0.000 2.452 539 L HA 0.380 4.728 4.340 0.013 0.000 0.267 539 L C 1.009 177.901 176.870 0.036 0.000 1.188 539 L CA -0.318 54.541 54.840 0.031 0.000 0.821 539 L CB 0.676 42.759 42.059 0.040 0.000 1.102 539 L HN 0.083 nan 8.230 nan 0.000 0.470 540 K N 1.622 122.038 120.400 0.026 0.000 2.310 540 K HA 0.353 4.681 4.320 0.013 0.000 0.290 540 K C -1.084 175.525 176.600 0.015 0.000 1.077 540 K CA -0.253 56.053 56.287 0.031 0.000 0.922 540 K CB 0.568 33.078 32.500 0.017 0.000 1.057 540 K HN 0.300 nan 8.250 nan 0.000 0.479 541 V N 4.047 123.968 119.914 0.011 0.000 2.581 541 V HA 0.459 4.587 4.120 0.013 0.000 0.303 541 V C -0.547 175.497 176.094 -0.084 0.000 1.041 541 V CA -1.045 61.235 62.300 -0.032 0.000 0.907 541 V CB 1.909 33.714 31.823 -0.030 0.000 0.994 541 V HN 0.365 nan 8.190 nan 0.000 0.442 542 V N 3.919 123.781 119.914 -0.086 0.000 2.483 542 V HA 0.515 4.643 4.120 0.013 0.000 0.297 542 V C -0.073 175.953 176.094 -0.113 0.000 1.027 542 V CA -0.755 61.483 62.300 -0.104 0.000 0.855 542 V CB 1.833 33.618 31.823 -0.063 0.000 0.995 542 V HN 0.747 nan 8.190 nan 0.000 0.424 543 R N 3.562 123.975 120.500 -0.146 0.000 2.221 543 R HA 0.444 4.791 4.340 0.013 0.000 0.327 543 R C -1.086 175.161 176.300 -0.087 0.000 1.033 543 R CA -0.750 55.274 56.100 -0.126 0.000 0.887 543 R CB 1.196 31.402 30.300 -0.158 0.000 1.057 543 R HN 0.570 nan 8.270 nan 0.000 0.455 544 L N 5.174 126.358 121.223 -0.065 0.000 2.255 544 L HA 0.316 4.663 4.340 0.013 0.000 0.289 544 L C -0.841 176.016 176.870 -0.022 0.000 1.046 544 L CA -0.092 54.728 54.840 -0.034 0.000 0.816 544 L CB 0.823 42.859 42.059 -0.038 0.000 1.197 544 L HN 0.598 nan 8.230 nan 0.000 0.427 545 C N 3.913 123.223 119.300 0.017 0.000 2.366 545 C HA 0.798 5.265 4.460 0.013 0.000 0.345 545 C C 0.778 175.764 174.990 -0.007 0.000 1.209 545 C CA -0.995 58.033 59.018 0.017 0.000 2.050 545 C CB 0.955 28.744 27.740 0.082 0.000 2.359 545 C HN 0.950 nan 8.230 nan 0.000 0.527 546 A N 2.985 125.784 122.820 -0.035 0.000 2.498 546 A HA 0.245 4.573 4.320 0.013 0.000 0.239 546 A C 1.167 178.711 177.584 -0.068 0.000 1.068 546 A CA 0.051 52.057 52.037 -0.052 0.000 0.766 546 A CB 0.263 19.224 19.000 -0.065 0.000 1.003 546 A HN 0.981 nan 8.150 nan 0.000 0.497 547 K N 1.415 121.776 120.400 -0.066 0.000 2.059 547 K HA -0.201 4.126 4.320 0.013 0.000 0.212 547 K C 2.392 178.923 176.600 -0.116 0.000 1.050 547 K CA 2.331 58.569 56.287 -0.082 0.000 0.927 547 K CB -0.422 32.045 32.500 -0.055 0.000 0.714 547 K HN 0.880 nan 8.250 nan 0.000 0.447 548 S N 0.540 116.174 115.700 -0.110 0.000 2.368 548 S HA -0.116 4.361 4.470 0.013 0.000 0.225 548 S C 1.872 176.346 174.600 -0.210 0.000 1.030 548 S CA 0.706 58.815 58.200 -0.153 0.000 0.999 548 S CB -0.211 62.915 63.200 -0.124 0.000 0.844 548 S HN 0.129 nan 8.310 nan 0.000 0.459 549 R N 1.379 121.787 120.500 -0.153 0.000 2.316 549 R HA 0.134 4.482 4.340 0.013 0.000 0.202 549 R C 2.004 178.233 176.300 -0.118 0.000 1.029 549 R CA 0.679 56.701 56.100 -0.131 0.000 1.018 549 R CB -0.491 29.761 30.300 -0.080 0.000 0.888 549 R HN 0.692 nan 8.270 nan 0.000 0.471 550 E N 1.051 121.146 120.200 -0.174 0.000 2.114 550 E HA -0.147 4.211 4.350 0.013 0.000 0.199 550 E C 0.429 176.896 176.600 -0.222 0.000 1.008 550 E CA 1.177 57.386 56.400 -0.318 0.000 0.810 550 E CB -0.066 29.252 29.700 -0.636 0.000 0.739 550 E HN 0.205 nan 8.360 nan 0.000 0.456 551 A N 1.781 124.494 122.820 -0.179 0.000 2.544 551 A HA 0.314 4.642 4.320 0.013 0.000 0.301 551 A C -0.129 177.424 177.584 -0.051 0.000 1.368 551 A CA 0.257 52.243 52.037 -0.086 0.000 1.045 551 A CB -0.078 18.874 19.000 -0.080 0.000 1.129 551 A HN 0.148 nan 8.150 nan 0.000 0.540 552 I N 1.202 121.777 120.570 0.008 0.000 2.624 552 I HA 0.159 4.336 4.170 0.013 0.000 0.296 552 I C -2.048 174.095 176.117 0.044 0.000 1.792 552 I CA -0.533 60.778 61.300 0.018 0.000 0.970 552 I CB 2.251 40.249 38.000 -0.004 0.000 1.502 552 I HN 0.541 nan 8.210 nan 0.000 0.549 553 D N 3.988 124.409 120.400 0.035 0.000 2.381 553 D HA 0.592 5.239 4.640 0.013 0.000 0.235 553 D C -0.514 175.804 176.300 0.029 0.000 1.068 553 D CA 0.202 54.225 54.000 0.038 0.000 0.832 553 D CB 1.821 42.642 40.800 0.034 0.000 1.101 553 D HN 0.556 nan 8.370 nan 0.000 0.515 554 S N 1.902 117.622 115.700 0.033 0.000 2.715 554 S HA 0.600 5.078 4.470 0.013 0.000 0.307 554 S C -2.104 172.524 174.600 0.047 0.000 1.119 554 S CA -1.114 57.102 58.200 0.027 0.000 0.937 554 S CB 1.962 65.169 63.200 0.012 0.000 1.150 554 S HN 0.084 nan 8.310 nan 0.000 0.521 555 P HA 0.024 nan 4.420 nan 0.000 0.225 555 P C 0.674 178.068 177.300 0.157 0.000 1.148 555 P CA 0.722 63.869 63.100 0.078 0.000 0.779 555 P CB -0.196 31.537 31.700 0.055 0.000 0.780 556 V N -3.895 116.066 119.914 0.079 0.000 2.843 556 V HA 0.268 4.395 4.120 0.013 0.000 0.366 556 V C 1.377 177.410 176.094 -0.101 0.000 1.283 556 V CA 0.164 62.441 62.300 -0.038 0.000 1.303 556 V CB -0.440 31.289 31.823 -0.158 0.000 1.418 556 V HN 0.001 nan 8.190 nan 0.000 0.598 557 S N 1.250 116.993 115.700 0.071 0.000 2.387 557 S HA -0.147 4.331 4.470 0.013 0.000 0.226 557 S C 1.698 176.294 174.600 -0.006 0.000 1.026 557 S CA 1.310 59.526 58.200 0.028 0.000 0.972 557 S CB -0.957 62.290 63.200 0.078 0.000 0.814 557 S HN 0.932 nan 8.310 nan 0.000 0.477 558 F N 1.135 121.013 119.950 -0.120 0.000 2.307 558 F HA 0.131 4.668 4.527 0.016 0.000 0.301 558 F C 1.653 177.360 175.800 -0.155 0.000 1.076 558 F CA 0.250 58.172 58.000 -0.129 0.000 1.383 558 F CB -0.436 38.496 39.000 -0.113 0.000 1.055 558 F HN 0.088 nan 8.300 nan 0.000 0.526 559 L N 1.207 121.939 121.223 -0.820 0.000 2.341 559 L HA 0.334 4.682 4.340 0.013 0.000 0.214 559 L C 1.717 178.363 176.870 -0.373 0.000 1.115 559 L CA 0.065 54.491 54.840 -0.690 0.000 0.820 559 L CB -1.654 39.931 42.059 -0.791 0.000 0.944 559 L HN 0.252 nan 8.230 nan 0.000 0.452 560 A N -0.250 122.372 122.820 -0.331 0.000 2.587 560 A HA -0.041 4.286 4.320 0.013 0.000 0.235 560 A C 1.499 178.894 177.584 -0.316 0.000 1.044 560 A CA 0.139 51.987 52.037 -0.315 0.000 0.754 560 A CB -0.045 18.681 19.000 -0.457 0.000 0.968 560 A HN 0.288 nan 8.150 nan 0.000 0.509 561 L N 2.779 123.891 121.223 -0.185 0.000 2.046 561 L HA -0.200 4.147 4.340 0.013 0.000 0.208 561 L C 2.631 179.445 176.870 -0.094 0.000 1.077 561 L CA 2.822 57.599 54.840 -0.105 0.000 0.747 561 L CB -0.699 41.341 42.059 -0.031 0.000 0.896 561 L HN 0.950 nan 8.230 nan 0.000 0.432 562 H N -1.935 117.118 119.070 -0.028 0.000 2.421 562 H HA -0.093 4.470 4.556 0.012 0.000 0.298 562 H C 1.433 176.761 175.328 0.000 0.000 1.087 562 H CA 1.418 57.459 56.048 -0.011 0.000 1.330 562 H CB -0.427 29.332 29.762 -0.005 0.000 1.388 562 H HN 0.411 nan 8.280 nan 0.000 0.526 563 N N 1.027 119.441 118.700 -0.476 0.000 2.207 563 N HA -0.085 4.663 4.740 0.013 0.000 0.182 563 N C 2.078 177.530 175.510 -0.097 0.000 1.020 563 N CA 0.686 53.606 53.050 -0.218 0.000 0.858 563 N CB -0.168 38.156 38.487 -0.271 0.000 0.991 563 N HN 0.536 nan 8.380 nan 0.000 0.427 564 Q N 0.253 119.980 119.800 -0.122 0.000 2.291 564 Q HA 0.005 4.352 4.340 0.013 0.000 0.206 564 Q C 1.846 177.828 176.000 -0.029 0.000 0.976 564 Q CA 0.692 56.457 55.803 -0.063 0.000 0.875 564 Q CB 0.077 28.768 28.738 -0.079 0.000 0.927 564 Q HN 0.425 nan 8.270 nan 0.000 0.450 565 I N -0.004 120.552 120.570 -0.024 0.000 2.406 565 I HA -0.178 3.999 4.170 0.013 0.000 0.249 565 I C 1.715 177.843 176.117 0.019 0.000 1.122 565 I CA 0.659 61.958 61.300 -0.003 0.000 1.431 565 I CB -0.014 37.986 38.000 0.001 0.000 1.087 565 I HN 0.046 nan 8.210 nan 0.000 0.424 566 R N 1.409 121.930 120.500 0.034 0.000 2.369 566 R HA 0.008 4.355 4.340 0.013 0.000 0.200 566 R C -0.292 176.030 176.300 0.037 0.000 1.046 566 R CA 0.417 56.549 56.100 0.052 0.000 1.057 566 R CB -0.351 29.991 30.300 0.071 0.000 0.888 566 R HN 0.339 nan 8.270 nan 0.000 0.474 567 N N 0.477 119.191 118.700 0.024 0.000 2.722 567 N HA 0.188 4.935 4.740 0.013 0.000 0.242 567 N C -1.341 174.180 175.510 0.017 0.000 1.398 567 N CA -0.075 52.989 53.050 0.023 0.000 0.755 567 N CB 1.303 39.805 38.487 0.024 0.000 1.268 567 N HN 0.008 nan 8.380 nan 0.000 0.522 568 M N 0.603 120.213 119.600 0.017 0.000 2.213 568 M HA 0.204 4.692 4.480 0.013 0.000 0.286 568 M C 0.619 176.928 176.300 0.014 0.000 1.008 568 M CA -0.515 54.792 55.300 0.012 0.000 0.937 568 M CB 2.512 35.116 32.600 0.007 0.000 1.600 568 M HN 0.132 nan 8.290 nan 0.000 0.450 569 D N 0.635 121.043 120.400 0.012 0.000 2.234 569 D HA -0.081 4.567 4.640 0.013 0.000 0.205 569 D C 1.503 177.809 176.300 0.009 0.000 0.962 569 D CA 1.073 55.080 54.000 0.011 0.000 0.855 569 D CB 0.584 41.391 40.800 0.011 0.000 0.951 569 D HN 0.634 nan 8.370 nan 0.000 0.500 570 S N -0.673 115.031 115.700 0.007 0.000 2.481 570 S HA -0.007 4.471 4.470 0.013 0.000 0.231 570 S C 0.979 175.582 174.600 0.004 0.000 0.996 570 S CA 0.255 58.458 58.200 0.004 0.000 0.942 570 S CB 0.012 63.213 63.200 0.002 0.000 0.768 570 S HN 0.116 nan 8.310 nan 0.000 0.520 571 M N 1.902 121.506 119.600 0.006 0.000 2.065 571 M HA 0.343 4.830 4.480 0.013 0.000 0.308 571 M C -2.498 173.811 176.300 0.015 0.000 0.939 571 M CA -1.845 53.459 55.300 0.007 0.000 0.890 571 M CB 1.251 33.852 32.600 0.001 0.000 1.383 571 M HN -0.005 nan 8.290 nan 0.000 0.381 572 P HA -0.055 nan 4.420 nan 0.000 0.215 572 P C 1.218 178.535 177.300 0.028 0.000 1.157 572 P CA 1.060 64.173 63.100 0.020 0.000 0.856 572 P CB 0.320 32.029 31.700 0.016 0.000 0.786 573 E N -0.775 119.441 120.200 0.026 0.000 2.209 573 E HA -0.185 4.172 4.350 0.013 0.000 0.196 573 E C 1.748 178.381 176.600 0.054 0.000 0.993 573 E CA 0.547 56.968 56.400 0.035 0.000 0.819 573 E CB -0.341 29.376 29.700 0.029 0.000 0.745 573 E HN 0.014 nan 8.360 nan 0.000 0.477 574 L N 0.735 121.987 121.223 0.047 0.000 2.068 574 L HA -0.144 4.204 4.340 0.013 0.000 0.204 574 L C 2.214 179.143 176.870 0.098 0.000 1.076 574 L CA 1.586 56.465 54.840 0.065 0.000 0.753 574 L CB -0.460 41.608 42.059 0.016 0.000 0.910 574 L HN 0.048 nan 8.230 nan 0.000 0.439 575 Q N 0.557 120.397 119.800 0.067 0.000 2.077 575 Q HA -0.272 4.076 4.340 0.013 0.000 0.206 575 Q C 2.121 178.163 176.000 0.071 0.000 0.989 575 Q CA 2.454 58.297 55.803 0.067 0.000 0.853 575 Q CB -0.260 28.504 28.738 0.044 0.000 0.907 575 Q HN 0.737 nan 8.270 nan 0.000 0.418 576 K N 0.048 120.484 120.400 0.059 0.000 2.097 576 K HA -0.099 4.229 4.320 0.013 0.000 0.206 576 K C 2.222 178.853 176.600 0.051 0.000 1.049 576 K CA 1.222 57.537 56.287 0.047 0.000 0.933 576 K CB -0.502 32.020 32.500 0.036 0.000 0.717 576 K HN 0.090 nan 8.250 nan 0.000 0.442 577 L N 0.811 122.086 121.223 0.087 0.000 2.093 577 L HA -0.139 4.208 4.340 0.013 0.000 0.208 577 L C 2.910 179.795 176.870 0.024 0.000 1.085 577 L CA 1.257 56.148 54.840 0.085 0.000 0.755 577 L CB -0.331 41.853 42.059 0.209 0.000 0.904 577 L HN 0.316 nan 8.230 nan 0.000 0.435 578 Q N 0.082 119.964 119.800 0.136 0.000 2.167 578 Q HA -0.206 4.142 4.340 0.013 0.000 0.202 578 Q C 1.826 177.842 176.000 0.026 0.000 0.970 578 Q CA 1.198 57.064 55.803 0.105 0.000 0.855 578 Q CB 0.097 28.971 28.738 0.226 0.000 0.911 578 Q HN 0.344 nan 8.270 nan 0.000 0.438 579 Q N -0.434 119.386 119.800 0.034 0.000 2.244 579 Q HA 0.060 4.408 4.340 0.013 0.000 0.239 579 Q C 0.207 176.206 176.000 -0.002 0.000 0.890 579 Q CA -0.158 55.655 55.803 0.017 0.000 0.964 579 Q CB 0.294 29.047 28.738 0.026 0.000 1.076 579 Q HN 0.335 nan 8.270 nan 0.000 0.447 580 L N -0.767 120.440 121.223 -0.026 0.000 2.885 580 L HA 0.221 4.568 4.340 0.013 0.000 0.251 580 L C 0.320 177.155 176.870 -0.059 0.000 1.071 580 L CA 0.760 55.578 54.840 -0.037 0.000 0.956 580 L CB 0.411 42.447 42.059 -0.038 0.000 1.483 580 L HN 0.056 nan 8.230 nan 0.000 0.525 581 K N 1.879 122.221 120.400 -0.096 0.000 3.165 581 K HA 0.079 4.406 4.320 0.013 0.000 0.270 581 K C -0.675 175.892 176.600 -0.055 0.000 1.111 581 K CA -0.019 56.210 56.287 -0.098 0.000 1.216 581 K CB -0.087 32.313 32.500 -0.166 0.000 1.229 581 K HN 0.376 nan 8.250 nan 0.000 0.435 588 S N 1.532 117.212 115.700 -0.034 0.000 2.538 588 S HA 0.322 4.800 4.470 0.013 0.000 0.288 588 S C 0.342 174.941 174.600 -0.003 0.000 1.108 588 S CA -0.053 58.138 58.200 -0.014 0.000 0.971 588 S CB 1.786 64.980 63.200 -0.010 0.000 1.041 588 S HN 0.672 nan 8.310 nan 0.000 0.483 589 S N 2.229 117.931 115.700 0.004 0.000 2.365 589 S HA -0.195 4.282 4.470 0.013 0.000 0.225 589 S C 1.979 176.591 174.600 0.019 0.000 1.039 589 S CA 1.758 59.965 58.200 0.012 0.000 1.033 589 S CB -0.471 62.735 63.200 0.011 0.000 0.887 589 S HN 0.880 nan 8.310 nan 0.000 0.447 590 A N 0.943 123.773 122.820 0.018 0.000 1.970 590 A HA -0.017 4.310 4.320 0.013 0.000 0.216 590 A C 1.792 179.395 177.584 0.033 0.000 1.170 590 A CA 1.466 53.517 52.037 0.023 0.000 0.645 590 A CB -0.562 18.449 19.000 0.018 0.000 0.816 590 A HN 0.514 nan 8.150 nan 0.000 0.447 591 D N -0.341 120.076 120.400 0.029 0.000 2.264 591 D HA -0.095 4.552 4.640 0.013 0.000 0.208 591 D C 1.740 178.084 176.300 0.072 0.000 0.966 591 D CA 0.675 54.700 54.000 0.041 0.000 0.864 591 D CB -0.064 40.745 40.800 0.015 0.000 0.933 591 D HN 0.411 nan 8.370 nan 0.000 0.499 592 E N 0.890 121.125 120.200 0.059 0.000 2.112 592 E HA -0.057 4.300 4.350 0.013 0.000 0.190 592 E C 1.818 178.498 176.600 0.133 0.000 0.979 592 E CA 0.519 56.975 56.400 0.093 0.000 0.814 592 E CB 0.228 29.958 29.700 0.050 0.000 0.762 592 E HN 0.286 nan 8.360 nan 0.000 0.460 593 K N 0.216 120.666 120.400 0.084 0.000 2.097 593 K HA -0.052 4.275 4.320 0.013 0.000 0.205 593 K C 2.182 178.823 176.600 0.067 0.000 1.050 593 K CA 0.482 56.809 56.287 0.066 0.000 0.938 593 K CB 0.033 32.558 32.500 0.042 0.000 0.718 593 K HN -0.107 nan 8.250 nan 0.000 0.442 594 R N 0.232 120.779 120.500 0.078 0.000 2.115 594 R HA -0.091 4.256 4.340 0.013 0.000 0.226 594 R C 2.079 178.434 176.300 0.093 0.000 1.100 594 R CA 1.026 57.167 56.100 0.069 0.000 0.980 594 R CB -0.331 30.008 30.300 0.065 0.000 0.875 594 R HN 0.311 nan 8.270 nan 0.000 0.445 595 Y N 0.792 121.097 120.300 0.008 0.000 2.263 595 Y HA -0.135 4.423 4.550 0.013 0.000 0.292 595 Y C 2.168 178.074 175.900 0.010 0.000 1.130 595 Y CA 1.543 59.648 58.100 0.010 0.000 1.179 595 Y CB 0.025 38.491 38.460 0.010 0.000 0.998 595 Y HN -0.148 nan 8.280 nan 0.000 0.532 596 R N -0.076 120.407 120.500 -0.028 0.000 2.093 596 R HA 0.080 4.428 4.340 0.013 0.000 0.224 596 R C 2.493 178.732 176.300 -0.102 0.000 1.101 596 R CA 1.029 57.063 56.100 -0.110 0.000 0.979 596 R CB -0.546 29.765 30.300 0.019 0.000 0.877 596 R HN 0.404 nan 8.270 nan 0.000 0.441 597 A N 0.433 123.223 122.820 -0.049 0.000 1.933 597 A HA -0.118 4.209 4.320 0.013 0.000 0.218 597 A C 1.979 179.525 177.584 -0.064 0.000 1.175 597 A CA 1.196 53.209 52.037 -0.041 0.000 0.628 597 A CB -0.410 18.583 19.000 -0.013 0.000 0.814 597 A HN 0.215 nan 8.150 nan 0.000 0.444 598 L N -1.094 120.075 121.223 -0.089 0.000 2.102 598 L HA -0.088 4.260 4.340 0.013 0.000 0.202 598 L C 2.528 179.315 176.870 -0.138 0.000 1.076 598 L CA 1.578 56.363 54.840 -0.091 0.000 0.761 598 L CB -0.370 41.648 42.059 -0.068 0.000 0.921 598 L HN 0.433 nan 8.230 nan 0.000 0.444 599 K N 0.475 120.720 120.400 -0.258 0.000 2.074 599 K HA -0.277 4.051 4.320 0.013 0.000 0.209 599 K C 2.293 178.804 176.600 -0.148 0.000 1.048 599 K CA 1.563 57.688 56.287 -0.269 0.000 0.926 599 K CB -0.124 32.086 32.500 -0.485 0.000 0.713 599 K HN -0.099 nan 8.250 nan 0.000 0.444 600 R N 0.425 120.850 120.500 -0.124 0.000 2.073 600 R HA -0.044 4.304 4.340 0.013 0.000 0.234 600 R C 2.011 178.278 176.300 -0.054 0.000 1.134 600 R CA 2.353 58.410 56.100 -0.072 0.000 0.952 600 R CB -1.137 29.130 30.300 -0.056 0.000 0.850 600 R HN 0.352 nan 8.270 nan 0.000 0.433 601 T N 0.381 114.902 114.554 -0.055 0.000 2.759 601 T HA -0.096 4.262 4.350 0.013 0.000 0.269 601 T C 1.647 176.325 174.700 -0.036 0.000 1.042 601 T CA 1.500 63.577 62.100 -0.039 0.000 1.140 601 T CB -0.365 68.482 68.868 -0.035 0.000 0.864 601 T HN 0.438 nan 8.240 nan 0.000 0.455 602 A N 1.418 124.210 122.820 -0.047 0.000 1.854 602 A HA -0.053 4.275 4.320 0.013 0.000 0.214 602 A C 2.132 179.697 177.584 -0.031 0.000 1.192 602 A CA 1.449 53.464 52.037 -0.038 0.000 0.611 602 A CB -0.579 18.393 19.000 -0.046 0.000 0.832 602 A HN 0.526 nan 8.150 nan 0.000 0.442 603 E N -0.603 119.576 120.200 -0.035 0.000 2.086 603 E HA -0.263 4.094 4.350 0.013 0.000 0.205 603 E C 2.331 178.922 176.600 -0.015 0.000 1.027 603 E CA 1.348 57.734 56.400 -0.023 0.000 0.830 603 E CB -0.217 29.469 29.700 -0.023 0.000 0.751 603 E HN 0.261 nan 8.360 nan 0.000 0.456 604 R N 0.773 121.262 120.500 -0.018 0.000 2.105 604 R HA -0.165 4.182 4.340 0.013 0.000 0.239 604 R C 2.121 178.414 176.300 -0.012 0.000 1.135 604 R CA 1.371 57.462 56.100 -0.014 0.000 0.967 604 R CB -0.331 29.957 30.300 -0.020 0.000 0.861 604 R HN 0.358 nan 8.270 nan 0.000 0.442 605 E N 0.077 120.268 120.200 -0.014 0.000 2.046 605 E HA -0.102 4.256 4.350 0.013 0.000 0.190 605 E C 2.187 178.783 176.600 -0.007 0.000 0.982 605 E CA 0.620 57.013 56.400 -0.011 0.000 0.800 605 E CB -0.012 29.681 29.700 -0.012 0.000 0.756 605 E HN 0.225 nan 8.360 nan 0.000 0.449 606 L N 0.616 121.834 121.223 -0.010 0.000 2.083 606 L HA -0.200 4.148 4.340 0.013 0.000 0.209 606 L C 2.482 179.351 176.870 -0.002 0.000 1.083 606 L CA 0.403 55.237 54.840 -0.010 0.000 0.752 606 L CB -0.239 41.809 42.059 -0.019 0.000 0.899 606 L HN 0.263 nan 8.230 nan 0.000 0.433 607 L N -1.060 120.167 121.223 0.006 0.000 2.072 607 L HA -0.120 4.228 4.340 0.013 0.000 0.205 607 L C 2.316 179.211 176.870 0.041 0.000 1.079 607 L CA 1.775 56.633 54.840 0.028 0.000 0.752 607 L CB -0.610 41.472 42.059 0.037 0.000 0.906 607 L HN 0.238 nan 8.230 nan 0.000 0.436 608 M N -1.102 118.509 119.600 0.019 0.000 2.558 608 M HA -0.021 4.466 4.480 0.013 0.000 0.255 608 M C 0.678 176.984 176.300 0.010 0.000 1.113 608 M CA 0.725 56.031 55.300 0.010 0.000 1.097 608 M CB -0.310 32.283 32.600 -0.011 0.000 1.426 608 M HN 0.323 nan 8.290 nan 0.000 0.488 609 N N 0.073 118.779 118.700 0.009 0.000 2.177 609 N HA 0.190 4.938 4.740 0.013 0.000 0.218 609 N C 0.069 175.584 175.510 0.008 0.000 1.182 609 N CA 0.027 53.080 53.050 0.005 0.000 0.882 609 N CB 0.885 39.371 38.487 -0.001 0.000 1.052 609 N HN 0.081 nan 8.380 nan 0.000 0.519 610 A N 0.799 123.628 122.820 0.015 0.000 2.445 610 A HA 0.122 4.450 4.320 0.013 0.000 0.242 610 A C 0.854 178.448 177.584 0.016 0.000 1.075 610 A CA 0.021 52.065 52.037 0.012 0.000 0.777 610 A CB 0.568 19.574 19.000 0.010 0.000 1.013 610 A HN 0.029 nan 8.150 nan 0.000 0.493 611 D N -0.044 120.359 120.400 0.005 0.000 2.194 611 D HA 0.064 4.711 4.640 0.013 0.000 0.204 611 D C 0.085 176.387 176.300 0.003 0.000 0.964 611 D CA 1.410 55.410 54.000 -0.000 0.000 0.846 611 D CB 0.111 40.902 40.800 -0.014 0.000 0.962 611 D HN 0.230 nan 8.370 nan 0.000 0.490 612 V N 1.173 121.085 119.914 -0.004 0.000 2.808 612 V HA 0.358 4.486 4.120 0.013 0.000 0.308 612 V C -0.474 175.594 176.094 -0.042 0.000 1.099 612 V CA -0.752 61.534 62.300 -0.023 0.000 0.920 612 V CB 2.894 34.702 31.823 -0.025 0.000 1.014 612 V HN -0.138 nan 8.190 nan 0.000 0.425 613 I N 3.126 123.647 120.570 -0.082 0.000 2.389 613 I HA 0.467 4.645 4.170 0.013 0.000 0.288 613 I C -0.520 175.508 176.117 -0.150 0.000 0.999 613 I CA -0.189 61.045 61.300 -0.109 0.000 1.129 613 I CB 1.589 39.518 38.000 -0.118 0.000 1.288 613 I HN 0.545 nan 8.210 nan 0.000 0.444 614 C N 5.483 124.712 119.300 -0.118 0.000 2.341 614 C HA 0.738 5.206 4.460 0.013 0.000 0.338 614 C C 0.112 175.035 174.990 -0.110 0.000 1.257 614 C CA -0.775 58.175 59.018 -0.113 0.000 1.883 614 C CB 0.314 27.997 27.740 -0.095 0.000 2.334 614 C HN 0.965 nan 8.230 nan 0.000 0.524 615 c N 2.113 120.646 118.600 -0.111 0.000 3.006 615 c HA 0.683 5.261 4.570 0.013 0.000 0.359 615 c C -0.203 173.832 174.090 -0.091 0.000 1.103 615 c CA -0.358 55.909 56.329 -0.103 0.000 1.286 615 c CB 0.456 42.888 42.510 -0.129 0.000 1.694 615 c HN 0.887 nan 8.230 nan 0.000 0.511 616 T N 1.511 116.019 114.554 -0.077 0.000 2.856 616 T HA 0.206 4.564 4.350 0.013 0.000 0.306 616 T C 1.460 176.113 174.700 -0.078 0.000 1.062 616 T CA 0.433 62.489 62.100 -0.072 0.000 1.083 616 T CB 0.328 69.156 68.868 -0.067 0.000 0.984 616 T HN 0.971 nan 8.240 nan 0.000 0.542 617 C N 2.628 121.883 119.300 -0.074 0.000 2.398 617 C HA -0.066 4.402 4.460 0.013 0.000 0.276 617 C C 2.864 177.808 174.990 -0.076 0.000 1.222 617 C CA 0.610 59.583 59.018 -0.075 0.000 1.746 617 C CB -1.207 26.492 27.740 -0.068 0.000 2.039 617 C HN 0.809 nan 8.230 nan 0.000 0.470 618 V N 1.033 120.898 119.914 -0.083 0.000 2.515 618 V HA -0.070 4.058 4.120 0.013 0.000 0.250 618 V C 2.541 178.588 176.094 -0.077 0.000 1.058 618 V CA 2.226 64.472 62.300 -0.090 0.000 1.064 618 V CB -1.279 30.471 31.823 -0.122 0.000 0.675 618 V HN 0.690 nan 8.190 nan 0.000 0.461 619 G N -0.582 108.174 108.800 -0.073 0.000 2.559 619 G HA2 -0.068 3.900 3.960 0.013 0.000 0.216 619 G HA3 -0.068 3.900 3.960 0.013 0.000 0.216 619 G C 1.593 176.462 174.900 -0.053 0.000 1.126 619 G CA 0.760 45.822 45.100 -0.062 0.000 0.778 619 G HN 0.589 nan 8.290 nan 0.000 0.543 620 A N 0.652 123.437 122.820 -0.058 0.000 2.066 620 A HA 0.249 4.577 4.320 0.013 0.000 0.218 620 A C 2.487 180.070 177.584 -0.001 0.000 1.157 620 A CA 1.526 53.536 52.037 -0.045 0.000 0.670 620 A CB -0.429 18.531 19.000 -0.066 0.000 0.804 620 A HN 0.413 nan 8.150 nan 0.000 0.453 621 G N -0.585 108.207 108.800 -0.014 0.000 2.744 621 G HA2 -0.039 3.928 3.960 0.013 0.000 0.211 621 G HA3 -0.039 3.928 3.960 0.013 0.000 0.211 621 G C 0.407 175.308 174.900 0.002 0.000 1.143 621 G CA 0.287 45.386 45.100 -0.001 0.000 0.788 621 G HN 0.475 nan 8.290 nan 0.000 0.534 622 D N 0.895 121.293 120.400 -0.003 0.000 2.583 622 D HA -0.011 4.637 4.640 0.013 0.000 0.232 622 D C -0.953 175.354 176.300 0.012 0.000 1.128 622 D CA -1.045 52.954 54.000 -0.002 0.000 0.859 622 D CB 1.596 42.394 40.800 -0.002 0.000 1.169 622 D HN 0.031 nan 8.370 nan 0.000 0.481 623 P HA -0.135 nan 4.420 nan 0.000 0.216 623 P C 1.189 178.495 177.300 0.011 0.000 1.153 623 P CA 1.243 64.347 63.100 0.008 0.000 0.858 623 P CB 0.143 31.844 31.700 0.002 0.000 0.789 624 R N -0.594 119.911 120.500 0.009 0.000 2.170 624 R HA -0.085 4.263 4.340 0.013 0.000 0.242 624 R C 1.336 177.652 176.300 0.026 0.000 1.145 624 R CA 0.828 56.935 56.100 0.011 0.000 0.984 624 R CB -0.949 29.356 30.300 0.009 0.000 0.869 624 R HN 0.281 nan 8.270 nan 0.000 0.455 625 L N 1.507 122.758 121.223 0.047 0.000 2.862 625 L HA 0.203 4.551 4.340 0.013 0.000 0.240 625 L C 0.285 177.186 176.870 0.051 0.000 1.283 625 L CA -0.726 54.166 54.840 0.087 0.000 1.117 625 L CB -0.044 42.112 42.059 0.162 0.000 1.444 625 L HN 0.069 nan 8.230 nan 0.000 0.456 626 A N 0.078 122.908 122.820 0.016 0.000 2.450 626 A HA 0.217 4.545 4.320 0.013 0.000 0.255 626 A C 1.126 178.693 177.584 -0.027 0.000 1.096 626 A CA -0.181 51.856 52.037 -0.001 0.000 0.778 626 A CB 0.219 19.216 19.000 -0.004 0.000 1.031 626 A HN 0.437 nan 8.150 nan 0.000 0.494 627 K N -0.184 120.195 120.400 -0.035 0.000 3.020 627 K HA -0.180 4.147 4.320 0.013 0.000 0.266 627 K C -0.185 176.341 176.600 -0.122 0.000 1.067 627 K CA 1.471 57.720 56.287 -0.063 0.000 0.780 627 K CB -1.781 30.691 32.500 -0.048 0.000 1.220 627 K HN 0.814 nan 8.250 nan 0.000 0.483 628 M N 0.909 120.405 119.600 -0.174 0.000 2.188 628 M HA 0.166 4.653 4.480 0.013 0.000 0.357 628 M C 0.383 176.336 176.300 -0.579 0.000 1.204 628 M CA -0.037 55.035 55.300 -0.380 0.000 1.095 628 M CB 1.393 33.751 32.600 -0.404 0.000 1.604 628 M HN 0.036 nan 8.290 nan 0.000 0.464 629 Q N 2.322 121.766 119.800 -0.593 0.000 2.215 629 Q HA 0.595 4.943 4.340 0.013 0.000 0.256 629 Q C -1.545 173.993 176.000 -0.771 0.000 0.972 629 Q CA -0.377 55.125 55.803 -0.503 0.000 0.889 629 Q CB 2.171 30.777 28.738 -0.220 0.000 1.281 629 Q HN 0.558 nan 8.270 nan 0.000 0.456 630 F N 0.664 120.607 119.950 -0.012 0.000 2.612 630 F HA 0.318 4.863 4.527 0.029 0.000 0.332 630 F C 1.003 176.798 175.800 -0.009 0.000 1.167 630 F CA -0.767 57.226 58.000 -0.013 0.000 0.970 630 F CB 1.240 40.230 39.000 -0.016 0.000 1.234 630 F HN 0.458 nan 8.300 nan 0.000 0.453 631 R N 1.098 121.681 120.500 0.138 0.000 2.070 631 R HA 0.006 4.354 4.340 0.013 0.000 0.233 631 R C -0.025 176.327 176.300 0.087 0.000 1.137 631 R CA 1.178 57.327 56.100 0.082 0.000 0.945 631 R CB 0.005 30.334 30.300 0.049 0.000 0.845 631 R HN 0.537 nan 8.270 nan 0.000 0.430 632 S N 0.468 116.223 115.700 0.093 0.000 2.475 632 S HA 0.553 5.031 4.470 0.013 0.000 0.298 632 S C -0.250 174.379 174.600 0.047 0.000 1.119 632 S CA -0.629 57.607 58.200 0.060 0.000 1.085 632 S CB 1.892 65.119 63.200 0.044 0.000 1.028 632 S HN 0.201 nan 8.310 nan 0.000 0.489 633 I N 3.142 123.725 120.570 0.021 0.000 2.569 633 I HA 0.476 4.653 4.170 0.013 0.000 0.290 633 I C -1.128 174.979 176.117 -0.017 0.000 1.088 633 I CA -0.637 60.653 61.300 -0.018 0.000 1.047 633 I CB 1.893 39.884 38.000 -0.016 0.000 1.237 633 I HN 0.409 nan 8.210 nan 0.000 0.421 634 L N 7.214 128.418 121.223 -0.032 0.000 2.385 634 L HA 0.654 5.001 4.340 0.013 0.000 0.273 634 L C -1.421 175.433 176.870 -0.026 0.000 0.990 634 L CA -0.437 54.394 54.840 -0.014 0.000 0.821 634 L CB 2.027 44.085 42.059 -0.002 0.000 1.279 634 L HN 0.520 nan 8.230 nan 0.000 0.412 635 I N 4.131 124.697 120.570 -0.006 0.000 2.382 635 I HA 0.309 4.486 4.170 0.013 0.000 0.285 635 I C -0.663 175.459 176.117 0.009 0.000 1.007 635 I CA -0.523 60.770 61.300 -0.011 0.000 1.142 635 I CB 1.546 39.541 38.000 -0.008 0.000 1.289 635 I HN 0.547 nan 8.210 nan 0.000 0.453 636 D N 4.439 124.834 120.400 -0.008 0.000 2.329 636 D HA 0.119 4.767 4.640 0.013 0.000 0.246 636 D C 0.533 176.821 176.300 -0.020 0.000 1.111 636 D CA 0.241 54.237 54.000 -0.007 0.000 0.941 636 D CB 1.003 41.794 40.800 -0.014 0.000 1.169 636 D HN 0.475 nan 8.370 nan 0.000 0.441 637 E N 0.107 120.287 120.200 -0.033 0.000 2.440 637 E HA -0.231 4.126 4.350 0.013 0.000 0.246 637 E C 0.779 177.345 176.600 -0.057 0.000 1.165 637 E CA 0.997 57.365 56.400 -0.053 0.000 0.726 637 E CB -1.441 28.235 29.700 -0.040 0.000 1.271 637 E HN 0.364 nan 8.360 nan 0.000 0.397 638 S N -2.864 112.805 115.700 -0.053 0.000 2.406 638 S HA -0.157 4.320 4.470 0.013 0.000 0.228 638 S C 1.842 176.424 174.600 -0.031 0.000 1.020 638 S CA 1.127 59.320 58.200 -0.011 0.000 0.965 638 S CB -0.442 62.808 63.200 0.084 0.000 0.798 638 S HN 0.445 nan 8.310 nan 0.000 0.488 639 T N -0.519 113.948 114.554 -0.146 0.000 3.155 639 T HA 0.078 4.436 4.350 0.013 0.000 0.264 639 T C 1.386 176.053 174.700 -0.054 0.000 1.160 639 T CA 0.525 62.547 62.100 -0.130 0.000 1.075 639 T CB -0.374 68.319 68.868 -0.291 0.000 0.921 639 T HN 0.451 nan 8.240 nan 0.000 0.533 640 Q N 0.338 120.110 119.800 -0.048 0.000 2.247 640 Q HA 0.482 4.830 4.340 0.013 0.000 0.204 640 Q C 0.416 176.409 176.000 -0.012 0.000 0.872 640 Q CA -0.158 55.630 55.803 -0.025 0.000 0.951 640 Q CB 0.729 29.448 28.738 -0.031 0.000 1.099 640 Q HN 0.692 nan 8.270 nan 0.000 0.501 641 A N 1.058 123.874 122.820 -0.008 0.000 2.340 641 A HA 0.547 4.875 4.320 0.013 0.000 0.331 641 A C 0.251 177.844 177.584 0.014 0.000 1.140 641 A CA -0.568 51.466 52.037 -0.005 0.000 0.801 641 A CB 0.852 19.842 19.000 -0.018 0.000 1.234 641 A HN 0.158 nan 8.150 nan 0.000 0.469 642 T N -1.082 113.483 114.554 0.018 0.000 2.860 642 T HA 0.234 4.591 4.350 0.013 0.000 0.299 642 T C 0.921 175.622 174.700 0.002 0.000 1.045 642 T CA 0.483 62.608 62.100 0.041 0.000 1.071 642 T CB 0.919 69.826 68.868 0.066 0.000 0.985 642 T HN 0.786 nan 8.240 nan 0.000 0.537 643 E N 1.302 121.498 120.200 -0.007 0.000 2.058 643 E HA -0.095 4.262 4.350 0.013 0.000 0.194 643 E C -0.807 175.652 176.600 -0.235 0.000 0.997 643 E CA 1.146 57.458 56.400 -0.147 0.000 0.801 643 E CB -1.172 28.369 29.700 -0.264 0.000 0.746 643 E HN 0.581 nan 8.360 nan 0.000 0.450 644 P HA -0.157 nan 4.420 nan 0.000 0.218 644 P C 0.783 178.028 177.300 -0.090 0.000 1.149 644 P CA 1.371 64.373 63.100 -0.162 0.000 0.817 644 P CB -0.022 31.654 31.700 -0.041 0.000 0.785 645 E N -0.803 119.359 120.200 -0.063 0.000 2.038 645 E HA -0.207 4.150 4.350 0.013 0.000 0.195 645 E C 1.578 178.133 176.600 -0.075 0.000 1.000 645 E CA 1.497 57.860 56.400 -0.063 0.000 0.803 645 E CB -0.448 29.223 29.700 -0.049 0.000 0.750 645 E HN 0.129 nan 8.360 nan 0.000 0.448 646 C N 0.674 119.925 119.300 -0.081 0.000 2.419 646 C HA -0.077 4.390 4.460 0.013 0.000 0.281 646 C C 2.449 177.370 174.990 -0.114 0.000 1.336 646 C CA 0.398 59.365 59.018 -0.085 0.000 1.770 646 C CB -0.646 27.049 27.740 -0.075 0.000 1.929 646 C HN 0.548 nan 8.230 nan 0.000 0.509 647 M N 0.132 119.644 119.600 -0.145 0.000 2.562 647 M HA -0.026 4.462 4.480 0.013 0.000 0.257 647 M C 2.059 178.291 176.300 -0.113 0.000 1.099 647 M CA 0.871 56.063 55.300 -0.180 0.000 1.099 647 M CB -1.089 31.374 32.600 -0.228 0.000 1.427 647 M HN 0.256 nan 8.290 nan 0.000 0.489 648 V N 1.916 121.782 119.914 -0.080 0.000 2.233 648 V HA -0.206 3.922 4.120 0.013 0.000 0.247 648 V C -0.302 175.771 176.094 -0.035 0.000 1.050 648 V CA 2.204 64.475 62.300 -0.048 0.000 1.010 648 V CB -2.138 29.656 31.823 -0.048 0.000 0.637 648 V HN 0.248 nan 8.190 nan 0.000 0.444 649 P HA -0.063 nan 4.420 nan 0.000 0.216 649 P C 1.937 179.227 177.300 -0.017 0.000 1.153 649 P CA 1.227 64.304 63.100 -0.038 0.000 0.844 649 P CB -0.155 31.497 31.700 -0.080 0.000 0.787 650 V N 1.004 120.883 119.914 -0.058 0.000 2.380 650 V HA -0.191 3.937 4.120 0.013 0.000 0.251 650 V C 2.550 178.623 176.094 -0.035 0.000 1.063 650 V CA 2.251 64.510 62.300 -0.069 0.000 1.055 650 V CB -1.464 30.264 31.823 -0.158 0.000 0.657 650 V HN 0.056 nan 8.190 nan 0.000 0.455 651 V N -2.145 117.750 119.914 -0.032 0.000 3.592 651 V HA 0.116 4.243 4.120 0.013 0.000 0.272 651 V C 1.313 177.437 176.094 0.051 0.000 1.228 651 V CA 0.922 63.233 62.300 0.019 0.000 1.173 651 V CB -0.970 30.873 31.823 0.033 0.000 0.873 651 V HN 0.491 nan 8.190 nan 0.000 0.476 652 L N 2.074 123.346 121.223 0.082 0.000 2.805 652 L HA 0.548 4.895 4.340 0.013 0.000 0.237 652 L C 1.505 178.432 176.870 0.096 0.000 1.252 652 L CA 0.480 55.394 54.840 0.124 0.000 1.064 652 L CB -0.575 41.667 42.059 0.304 0.000 1.361 652 L HN 0.614 nan 8.230 nan 0.000 0.474 653 G N -0.067 108.768 108.800 0.059 0.000 2.141 653 G HA2 -0.201 3.767 3.960 0.013 0.000 0.195 653 G HA3 -0.201 3.767 3.960 0.013 0.000 0.195 653 G C 0.356 175.290 174.900 0.056 0.000 1.012 653 G CA -0.191 44.931 45.100 0.036 0.000 0.696 653 G HN 0.513 nan 8.290 nan 0.000 0.508 654 A N 0.083 122.942 122.820 0.064 0.000 2.537 654 A HA 0.529 4.857 4.320 0.013 0.000 0.260 654 A C 1.417 179.038 177.584 0.061 0.000 1.082 654 A CA 1.070 53.144 52.037 0.061 0.000 0.765 654 A CB 0.271 19.292 19.000 0.034 0.000 1.019 654 A HN 0.354 nan 8.150 nan 0.000 0.507 655 K N 1.141 121.578 120.400 0.062 0.000 2.335 655 K HA 0.081 4.409 4.320 0.013 0.000 0.195 655 K C 0.554 177.197 176.600 0.071 0.000 1.058 655 K CA 0.581 56.907 56.287 0.065 0.000 0.988 655 K CB 0.518 33.046 32.500 0.046 0.000 0.880 655 K HN 0.848 nan 8.250 nan 0.000 0.513 656 Q N 0.957 120.792 119.800 0.059 0.000 2.271 656 Q HA 0.391 4.739 4.340 0.013 0.000 0.268 656 Q C -2.065 173.960 176.000 0.042 0.000 1.021 656 Q CA -0.600 55.234 55.803 0.053 0.000 0.802 656 Q CB 1.632 30.393 28.738 0.039 0.000 1.282 656 Q HN 0.004 nan 8.270 nan 0.000 0.431 657 L N 4.696 125.941 121.223 0.037 0.000 2.408 657 L HA 0.660 5.008 4.340 0.013 0.000 0.268 657 L C -1.949 174.929 176.870 0.013 0.000 0.986 657 L CA -0.424 54.426 54.840 0.016 0.000 0.820 657 L CB 2.040 44.096 42.059 -0.004 0.000 1.303 657 L HN 0.700 nan 8.230 nan 0.000 0.411 658 I N 5.588 126.166 120.570 0.013 0.000 2.439 658 I HA 0.430 4.608 4.170 0.013 0.000 0.285 658 I C -0.916 175.226 176.117 0.041 0.000 1.021 658 I CA -0.154 61.160 61.300 0.022 0.000 1.091 658 I CB 1.722 39.739 38.000 0.029 0.000 1.242 658 I HN 0.393 nan 8.210 nan 0.000 0.439 659 L N 6.629 127.891 121.223 0.065 0.000 2.295 659 L HA 0.724 5.072 4.340 0.013 0.000 0.285 659 L C -0.685 176.358 176.870 0.288 0.000 1.035 659 L CA -0.938 54.000 54.840 0.164 0.000 0.806 659 L CB 1.461 43.640 42.059 0.201 0.000 1.214 659 L HN 0.232 nan 8.230 nan 0.000 0.426 660 V N 2.103 122.156 119.914 0.233 0.000 2.588 660 V HA 0.954 5.081 4.120 0.013 0.000 0.304 660 V C 0.317 176.432 176.094 0.035 0.000 1.042 660 V CA -0.226 62.184 62.300 0.183 0.000 0.877 660 V CB 1.468 33.343 31.823 0.087 0.000 0.996 660 V HN 1.027 nan 8.190 nan 0.000 0.425 661 G N 2.949 111.680 108.800 -0.116 0.000 2.393 661 G HA2 0.546 4.514 3.960 0.013 0.000 0.264 661 G HA3 0.546 4.514 3.960 0.013 0.000 0.264 661 G C -2.212 172.460 174.900 -0.380 0.000 1.221 661 G CA -0.160 44.723 45.100 -0.362 0.000 0.912 661 G HN 0.615 nan 8.290 nan 0.000 0.483 662 D N -1.251 118.897 120.400 -0.420 0.000 2.419 662 D HA 0.215 4.862 4.640 0.013 0.000 0.219 662 D C 0.754 176.970 176.300 -0.139 0.000 1.349 662 D CA -0.444 53.444 54.000 -0.186 0.000 0.964 662 D CB 0.293 41.059 40.800 -0.056 0.000 1.463 662 D HN 0.536 nan 8.370 nan 0.000 0.573 663 H N 1.191 120.164 119.070 -0.163 0.000 2.556 663 H HA 0.075 4.638 4.556 0.011 0.000 0.268 663 H C 0.761 176.087 175.328 -0.003 0.000 0.996 663 H CA 0.151 56.176 56.048 -0.038 0.000 1.157 663 H CB -0.507 29.326 29.762 0.117 0.000 1.355 663 H HN 0.253 nan 8.280 nan 0.000 0.597 664 C N 1.099 120.205 119.300 -0.323 0.000 2.697 664 C HA 0.241 4.709 4.460 0.013 0.000 0.267 664 C C 0.973 175.843 174.990 -0.199 0.000 1.278 664 C CA -0.185 58.666 59.018 -0.279 0.000 1.708 664 C CB -0.988 26.505 27.740 -0.412 0.000 1.860 664 C HN 0.546 nan 8.230 nan 0.000 0.589 665 Q N -0.466 119.263 119.800 -0.117 0.000 2.852 665 Q HA 0.544 4.892 4.340 0.013 0.000 0.262 665 Q C -0.384 175.578 176.000 -0.064 0.000 1.051 665 Q CA -0.793 54.951 55.803 -0.098 0.000 0.894 665 Q CB 0.831 29.532 28.738 -0.062 0.000 1.381 665 Q HN 0.284 nan 8.270 nan 0.000 0.501 666 L N 0.880 122.078 121.223 -0.042 0.000 2.506 666 L HA 0.136 4.484 4.340 0.013 0.000 0.281 666 L C 0.760 177.624 176.870 -0.010 0.000 1.228 666 L CA -0.017 54.814 54.840 -0.015 0.000 0.850 666 L CB -0.197 41.863 42.059 0.001 0.000 1.110 666 L HN 0.716 nan 8.230 nan 0.000 0.496 667 G N 1.991 110.795 108.800 0.007 0.000 2.532 667 G HA2 0.505 4.472 3.960 0.013 0.000 0.291 667 G HA3 0.505 4.472 3.960 0.013 0.000 0.291 667 G C -2.607 172.303 174.900 0.017 0.000 1.349 667 G CA -1.163 43.947 45.100 0.017 0.000 1.038 667 G HN 0.401 nan 8.290 nan 0.000 0.518 668 P HA 0.173 nan 4.420 nan 0.000 0.265 668 P C 0.250 177.567 177.300 0.028 0.000 1.193 668 P CA -0.287 62.828 63.100 0.025 0.000 0.765 668 P CB 0.797 32.520 31.700 0.038 0.000 0.823 669 V N 2.160 122.089 119.914 0.026 0.000 2.521 669 V HA 0.280 4.408 4.120 0.013 0.000 0.286 669 V C -0.106 176.012 176.094 0.040 0.000 1.034 669 V CA -0.100 62.218 62.300 0.031 0.000 1.045 669 V CB 0.522 32.365 31.823 0.032 0.000 0.974 669 V HN 0.204 nan 8.190 nan 0.000 0.480 670 V N 6.486 126.417 119.914 0.028 0.000 2.488 670 V HA 0.285 4.412 4.120 0.013 0.000 0.293 670 V C 0.565 176.643 176.094 -0.027 0.000 1.027 670 V CA -0.396 61.915 62.300 0.018 0.000 0.862 670 V CB 1.374 33.202 31.823 0.007 0.000 1.008 670 V HN 0.900 nan 8.190 nan 0.000 0.428 671 M N 2.740 122.327 119.600 -0.022 0.000 2.064 671 M HA 0.017 4.504 4.480 0.013 0.000 0.260 671 M C 1.331 177.353 176.300 -0.463 0.000 1.073 671 M CA 1.316 56.568 55.300 -0.080 0.000 1.124 671 M CB -0.403 32.274 32.600 0.128 0.000 1.326 671 M HN 0.672 nan 8.290 nan 0.000 0.410 672 C N 2.285 121.179 119.300 -0.678 0.000 2.619 672 C HA 0.060 4.528 4.460 0.013 0.000 0.389 672 C C 1.690 176.430 174.990 -0.417 0.000 1.314 672 C CA -0.364 58.078 59.018 -0.959 0.000 1.678 672 C CB -1.096 26.289 27.740 -0.591 0.000 2.398 672 C HN 0.527 nan 8.230 nan 0.000 0.582 673 K N 3.225 123.421 120.400 -0.340 0.000 2.097 673 K HA -0.156 4.172 4.320 0.013 0.000 0.206 673 K C 2.139 178.676 176.600 -0.106 0.000 1.049 673 K CA 1.409 57.604 56.287 -0.153 0.000 0.933 673 K CB -0.004 32.442 32.500 -0.089 0.000 0.717 673 K HN 0.736 nan 8.250 nan 0.000 0.442 674 K N 0.999 121.335 120.400 -0.107 0.000 2.097 674 K HA -0.106 4.222 4.320 0.013 0.000 0.205 674 K C 2.097 178.661 176.600 -0.061 0.000 1.050 674 K CA 1.179 57.429 56.287 -0.062 0.000 0.938 674 K CB -0.048 32.428 32.500 -0.040 0.000 0.718 674 K HN 0.128 nan 8.250 nan 0.000 0.442 675 A N 1.007 123.780 122.820 -0.078 0.000 1.929 675 A HA -0.024 4.304 4.320 0.013 0.000 0.216 675 A C 2.290 179.849 177.584 -0.043 0.000 1.176 675 A CA 1.553 53.557 52.037 -0.056 0.000 0.628 675 A CB -0.653 18.319 19.000 -0.047 0.000 0.816 675 A HN 0.458 nan 8.150 nan 0.000 0.444 676 A N 0.247 123.037 122.820 -0.050 0.000 1.851 676 A HA -0.199 4.128 4.320 0.013 0.000 0.216 676 A C 2.108 179.681 177.584 -0.018 0.000 1.195 676 A CA 1.860 53.882 52.037 -0.026 0.000 0.622 676 A CB -0.514 18.466 19.000 -0.034 0.000 0.831 676 A HN 0.499 nan 8.150 nan 0.000 0.444 677 K N -0.455 119.930 120.400 -0.026 0.000 2.209 677 K HA -0.024 4.303 4.320 0.013 0.000 0.204 677 K C 2.001 178.587 176.600 -0.024 0.000 1.048 677 K CA 0.976 57.252 56.287 -0.018 0.000 0.940 677 K CB -0.263 32.227 32.500 -0.018 0.000 0.729 677 K HN 0.458 nan 8.250 nan 0.000 0.451 678 A N 0.236 123.033 122.820 -0.038 0.000 2.167 678 A HA 0.103 4.431 4.320 0.013 0.000 0.214 678 A C 1.499 179.036 177.584 -0.078 0.000 1.151 678 A CA 1.325 53.328 52.037 -0.055 0.000 0.735 678 A CB -0.000 18.962 19.000 -0.063 0.000 0.802 678 A HN 0.443 nan 8.150 nan 0.000 0.467 679 G N -2.147 106.619 108.800 -0.056 0.000 2.935 679 G HA2 -0.126 3.842 3.960 0.013 0.000 0.213 679 G HA3 -0.126 3.842 3.960 0.013 0.000 0.213 679 G C 0.680 175.589 174.900 0.015 0.000 0.984 679 G CA 0.290 45.361 45.100 -0.049 0.000 0.790 679 G HN 0.384 nan 8.290 nan 0.000 0.538 680 L N 2.575 123.809 121.223 0.019 0.000 2.201 680 L HA 0.195 4.542 4.340 0.013 0.000 0.212 680 L C 2.747 179.675 176.870 0.097 0.000 1.105 680 L CA 2.900 57.794 54.840 0.091 0.000 0.775 680 L CB -0.319 41.781 42.059 0.067 0.000 0.913 680 L HN 0.541 nan 8.230 nan 0.000 0.440 681 S N -1.856 113.882 115.700 0.063 0.000 2.561 681 S HA -0.087 4.390 4.470 0.013 0.000 0.225 681 S C 1.071 175.717 174.600 0.076 0.000 0.977 681 S CA -0.150 58.085 58.200 0.058 0.000 0.926 681 S CB -0.485 62.737 63.200 0.036 0.000 0.769 681 S HN 0.585 nan 8.310 nan 0.000 0.533 682 Q N 3.020 122.881 119.800 0.101 0.000 2.337 682 Q HA 0.318 4.665 4.340 0.013 0.000 0.255 682 Q C -0.153 175.930 176.000 0.139 0.000 0.997 682 Q CA -0.486 55.389 55.803 0.119 0.000 0.925 682 Q CB 0.782 29.597 28.738 0.129 0.000 1.212 682 Q HN 0.576 nan 8.270 nan 0.000 0.436 683 S N 3.319 119.091 115.700 0.119 0.000 2.573 683 S HA -0.010 4.467 4.470 0.013 0.000 0.277 683 S C 1.232 175.910 174.600 0.131 0.000 1.346 683 S CA -0.685 57.583 58.200 0.113 0.000 1.034 683 S CB 0.714 63.977 63.200 0.105 0.000 0.879 683 S HN 0.879 nan 8.310 nan 0.000 0.528 684 L N 1.186 122.464 121.223 0.091 0.000 1.990 684 L HA -0.128 4.220 4.340 0.013 0.000 0.213 684 L C 2.289 179.218 176.870 0.098 0.000 1.072 684 L CA 2.199 57.074 54.840 0.059 0.000 0.755 684 L CB -0.572 41.483 42.059 -0.008 0.000 0.889 684 L HN 0.877 nan 8.230 nan 0.000 0.432 685 F N 1.162 121.099 119.950 -0.022 0.000 2.063 685 F HA -0.350 4.159 4.527 -0.030 0.000 0.298 685 F C 2.425 178.191 175.800 -0.057 0.000 1.109 685 F CA 2.411 60.392 58.000 -0.032 0.000 1.212 685 F CB -0.268 38.726 39.000 -0.009 0.000 0.973 685 F HN 0.183 nan 8.300 nan 0.000 0.480 686 E N -0.491 119.895 120.200 0.311 0.000 2.077 686 E HA -0.268 4.089 4.350 0.013 0.000 0.193 686 E C 2.362 178.999 176.600 0.062 0.000 0.989 686 E CA 1.301 57.802 56.400 0.170 0.000 0.800 686 E CB -0.296 29.509 29.700 0.174 0.000 0.746 686 E HN 0.367 nan 8.360 nan 0.000 0.452 687 R N 0.788 121.338 120.500 0.084 0.000 2.081 687 R HA -0.126 4.222 4.340 0.013 0.000 0.235 687 R C 2.281 178.593 176.300 0.020 0.000 1.131 687 R CA 0.976 57.124 56.100 0.080 0.000 0.960 687 R CB -0.142 30.247 30.300 0.149 0.000 0.856 687 R HN 0.158 nan 8.270 nan 0.000 0.436 688 L N 0.031 121.232 121.223 -0.037 0.000 2.083 688 L HA -0.145 4.203 4.340 0.013 0.000 0.209 688 L C 2.333 179.121 176.870 -0.135 0.000 1.083 688 L CA 0.775 55.554 54.840 -0.102 0.000 0.752 688 L CB -0.263 41.694 42.059 -0.171 0.000 0.899 688 L HN 0.095 nan 8.230 nan 0.000 0.433 689 V N -0.812 118.995 119.914 -0.178 0.000 2.427 689 V HA -0.218 3.909 4.120 0.013 0.000 0.248 689 V C 2.369 178.417 176.094 -0.077 0.000 1.051 689 V CA 1.308 63.501 62.300 -0.178 0.000 1.048 689 V CB -0.094 31.562 31.823 -0.279 0.000 0.666 689 V HN 0.205 nan 8.190 nan 0.000 0.456 690 V N -0.378 119.514 119.914 -0.037 0.000 2.515 690 V HA -0.153 3.975 4.120 0.013 0.000 0.250 690 V C 2.055 178.147 176.094 -0.003 0.000 1.058 690 V CA 1.459 63.758 62.300 -0.002 0.000 1.064 690 V CB -0.399 31.437 31.823 0.023 0.000 0.675 690 V HN 0.463 nan 8.190 nan 0.000 0.461 691 L N 0.091 121.307 121.223 -0.011 0.000 2.610 691 L HA 0.212 4.559 4.340 0.013 0.000 0.232 691 L C 1.745 178.606 176.870 -0.015 0.000 1.149 691 L CA 0.963 55.798 54.840 -0.007 0.000 0.872 691 L CB -0.217 41.839 42.059 -0.005 0.000 0.992 691 L HN 0.567 nan 8.230 nan 0.000 0.447 692 G N 0.099 108.884 108.800 -0.025 0.000 2.201 692 G HA2 -0.230 3.737 3.960 0.013 0.000 0.212 692 G HA3 -0.230 3.737 3.960 0.013 0.000 0.212 692 G C 0.330 175.211 174.900 -0.032 0.000 0.994 692 G CA -0.483 44.606 45.100 -0.020 0.000 0.644 692 G HN 0.212 nan 8.290 nan 0.000 0.508 693 I N 2.223 122.757 120.570 -0.061 0.000 2.576 693 I HA 0.142 4.319 4.170 0.013 0.000 0.288 693 I C 1.190 177.250 176.117 -0.095 0.000 1.126 693 I CA -0.100 61.152 61.300 -0.080 0.000 1.362 693 I CB 0.326 38.253 38.000 -0.123 0.000 1.419 693 I HN 0.104 nan 8.210 nan 0.000 0.533 694 R N 8.072 128.545 120.500 -0.045 0.000 2.316 694 R HA 0.302 4.649 4.340 0.013 0.000 0.314 694 R C -2.280 174.008 176.300 -0.020 0.000 1.069 694 R CA -1.421 54.669 56.100 -0.017 0.000 0.959 694 R CB 0.689 31.004 30.300 0.024 0.000 0.987 694 R HN 0.300 nan 8.270 nan 0.000 0.446 695 P HA 0.100 nan 4.420 nan 0.000 0.275 695 P C -0.477 176.884 177.300 0.102 0.000 1.228 695 P CA -0.120 63.000 63.100 0.034 0.000 0.786 695 P CB 0.631 32.419 31.700 0.147 0.000 0.927 696 I N 2.409 123.037 120.570 0.095 0.000 2.471 696 I HA 0.201 4.379 4.170 0.013 0.000 0.286 696 I C 1.184 177.395 176.117 0.157 0.000 1.079 696 I CA -0.211 61.172 61.300 0.139 0.000 1.398 696 I CB 0.379 38.413 38.000 0.057 0.000 1.403 696 I HN 0.218 nan 8.210 nan 0.000 0.530 697 R N 6.976 127.576 120.500 0.167 0.000 2.346 697 R HA 0.511 4.858 4.340 0.013 0.000 0.311 697 R C -1.125 175.241 176.300 0.109 0.000 0.983 697 R CA -0.731 55.452 56.100 0.139 0.000 0.880 697 R CB 0.881 31.257 30.300 0.128 0.000 1.100 697 R HN 0.596 nan 8.270 nan 0.000 0.453 698 L N 5.279 126.550 121.223 0.080 0.000 2.283 698 L HA 0.217 4.565 4.340 0.013 0.000 0.287 698 L C 0.711 177.588 176.870 0.013 0.000 1.073 698 L CA -0.047 54.830 54.840 0.061 0.000 0.822 698 L CB 1.351 43.446 42.059 0.059 0.000 1.186 698 L HN 0.696 nan 8.230 nan 0.000 0.436 699 Q N 1.689 121.496 119.800 0.012 0.000 2.282 699 Q HA 0.160 4.508 4.340 0.013 0.000 0.206 699 Q C -0.290 175.668 176.000 -0.069 0.000 0.878 699 Q CA -0.022 55.758 55.803 -0.039 0.000 0.944 699 Q CB 1.141 29.867 28.738 -0.020 0.000 1.100 699 Q HN 0.530 nan 8.270 nan 0.000 0.509 700 V N 2.755 122.641 119.914 -0.046 0.000 2.364 700 V HA 0.182 4.310 4.120 0.013 0.000 0.272 700 V C -0.368 175.605 176.094 -0.202 0.000 1.036 700 V CA -0.796 61.407 62.300 -0.160 0.000 0.880 700 V CB 0.897 32.629 31.823 -0.153 0.000 0.991 700 V HN 0.212 nan 8.190 nan 0.000 0.460 701 Q N 3.959 123.589 119.800 -0.285 0.000 2.290 701 Q HA 0.455 4.803 4.340 0.013 0.000 0.259 701 Q C -0.958 174.859 176.000 -0.304 0.000 0.941 701 Q CA -0.233 55.459 55.803 -0.185 0.000 0.912 701 Q CB 0.970 29.624 28.738 -0.141 0.000 1.244 701 Q HN 0.625 nan 8.270 nan 0.000 0.441 702 Y N 1.545 121.801 120.300 -0.074 0.000 2.607 702 Y HA 0.330 4.887 4.550 0.012 0.000 0.266 702 Y C 1.469 177.313 175.900 -0.094 0.000 1.178 702 Y CA -0.472 57.581 58.100 -0.078 0.000 1.226 702 Y CB 0.421 38.843 38.460 -0.064 0.000 1.144 702 Y HN 0.749 nan 8.280 nan 0.000 0.528 703 R N 0.863 121.363 120.500 -0.001 0.000 2.102 703 R HA 0.203 4.551 4.340 0.013 0.000 0.208 703 R C 0.651 176.879 176.300 -0.120 0.000 1.131 703 R CA 0.517 56.588 56.100 -0.047 0.000 1.054 703 R CB 0.338 30.616 30.300 -0.037 0.000 0.954 703 R HN 0.226 nan 8.270 nan 0.000 0.465 704 M N -0.322 119.211 119.600 -0.111 0.000 2.578 704 M HA 0.301 4.788 4.480 0.013 0.000 0.321 704 M C -0.783 175.457 176.300 -0.099 0.000 1.182 704 M CA -0.796 54.434 55.300 -0.118 0.000 0.965 704 M CB 1.539 34.100 32.600 -0.064 0.000 1.694 704 M HN 0.041 nan 8.290 nan 0.000 0.461 705 H N 2.507 121.452 119.070 -0.208 0.000 3.140 705 H HA 0.020 4.583 4.556 0.012 0.000 0.316 705 H C -1.889 173.371 175.328 -0.114 0.000 0.986 705 H CA -0.104 55.844 56.048 -0.167 0.000 1.397 705 H CB 0.529 30.191 29.762 -0.166 0.000 1.377 705 H HN 0.455 nan 8.280 nan 0.000 0.585 706 P HA -0.267 nan 4.420 nan 0.000 0.218 706 P C 0.794 178.161 177.300 0.112 0.000 1.146 706 P CA 2.007 65.132 63.100 0.042 0.000 0.820 706 P CB 0.080 31.771 31.700 -0.015 0.000 0.778 707 A N -0.744 122.209 122.820 0.221 0.000 1.897 707 A HA -0.129 4.199 4.320 0.013 0.000 0.215 707 A C 2.135 179.747 177.584 0.047 0.000 1.181 707 A CA 1.244 53.327 52.037 0.076 0.000 0.620 707 A CB -1.478 17.470 19.000 -0.086 0.000 0.821 707 A HN 0.131 nan 8.150 nan 0.000 0.443 708 L N 0.579 121.815 121.223 0.022 0.000 2.131 708 L HA -0.154 4.194 4.340 0.013 0.000 0.210 708 L C 2.852 179.770 176.870 0.080 0.000 1.092 708 L CA 1.545 56.409 54.840 0.040 0.000 0.759 708 L CB -0.657 41.406 42.059 0.006 0.000 0.903 708 L HN 0.590 nan 8.230 nan 0.000 0.435 709 S N 0.228 115.962 115.700 0.056 0.000 2.453 709 S HA -0.051 4.426 4.470 0.013 0.000 0.231 709 S C 2.159 176.798 174.600 0.065 0.000 1.005 709 S CA 0.584 58.813 58.200 0.048 0.000 0.949 709 S CB -0.158 63.040 63.200 -0.002 0.000 0.774 709 S HN 0.330 nan 8.310 nan 0.000 0.510 710 A N 1.723 124.587 122.820 0.073 0.000 1.859 710 A HA -0.020 4.307 4.320 0.013 0.000 0.217 710 A C 1.989 179.555 177.584 -0.030 0.000 1.198 710 A CA 1.696 53.757 52.037 0.039 0.000 0.629 710 A CB -1.306 17.756 19.000 0.103 0.000 0.830 710 A HN 0.649 nan 8.150 nan 0.000 0.446 711 F N 1.183 121.030 119.950 -0.171 0.000 2.113 711 F HA -0.003 4.532 4.527 0.013 0.000 0.297 711 F C -0.706 175.050 175.800 -0.074 0.000 1.103 711 F CA 1.719 59.547 58.000 -0.287 0.000 1.248 711 F CB -0.873 37.972 39.000 -0.257 0.000 0.999 711 F HN 0.161 nan 8.300 nan 0.000 0.475 712 P HA -0.195 nan 4.420 nan 0.000 0.216 712 P C 1.963 179.445 177.300 0.304 0.000 1.150 712 P CA 2.090 65.414 63.100 0.372 0.000 0.837 712 P CB -0.189 31.716 31.700 0.343 0.000 0.786 713 S N -1.095 114.711 115.700 0.177 0.000 2.368 713 S HA -0.166 4.312 4.470 0.013 0.000 0.224 713 S C 1.803 176.430 174.600 0.044 0.000 1.029 713 S CA 1.758 60.066 58.200 0.180 0.000 0.988 713 S CB -1.123 62.110 63.200 0.055 0.000 0.838 713 S HN 0.143 nan 8.310 nan 0.000 0.462 714 N N -0.032 118.583 118.700 -0.140 0.000 2.135 714 N HA 0.063 4.811 4.740 0.013 0.000 0.186 714 N C 1.485 176.783 175.510 -0.353 0.000 1.027 714 N CA 1.399 54.307 53.050 -0.237 0.000 0.849 714 N CB -0.132 38.170 38.487 -0.308 0.000 1.002 714 N HN 0.279 nan 8.380 nan 0.000 0.425 715 I N -0.591 119.603 120.570 -0.625 0.000 2.584 715 I HA -0.060 4.118 4.170 0.013 0.000 0.255 715 I C 0.755 176.378 176.117 -0.822 0.000 1.145 715 I CA 1.188 61.985 61.300 -0.837 0.000 1.462 715 I CB -0.012 37.179 38.000 -1.348 0.000 1.102 715 I HN 0.106 nan 8.210 nan 0.000 0.433 716 F N -2.554 117.176 119.950 -0.368 0.000 2.720 716 F HA 0.152 4.687 4.527 0.014 0.000 0.301 716 F C 0.710 176.033 175.800 -0.795 0.000 1.103 716 F CA 0.141 57.797 58.000 -0.573 0.000 1.291 716 F CB 0.173 38.746 39.000 -0.711 0.000 1.086 716 F HN -0.090 nan 8.300 nan 0.000 0.592 717 Y N -0.437 119.873 120.300 0.018 0.000 2.721 717 Y HA 0.256 4.812 4.550 0.010 0.000 0.251 717 Y C -0.029 175.852 175.900 -0.031 0.000 1.136 717 Y CA -1.021 57.079 58.100 0.001 0.000 1.142 717 Y CB -0.160 38.306 38.460 0.009 0.000 1.212 717 Y HN -0.081 nan 8.280 nan 0.000 0.565 718 E N -0.260 119.948 120.200 0.013 0.000 2.494 718 E HA -0.248 4.109 4.350 0.013 0.000 0.249 718 E C 1.360 177.959 176.600 -0.002 0.000 1.184 718 E CA 1.241 57.635 56.400 -0.011 0.000 0.727 718 E CB -1.580 28.127 29.700 0.010 0.000 1.281 718 E HN 0.737 nan 8.360 nan 0.000 0.405 719 G N -0.066 108.732 108.800 -0.003 0.000 2.390 719 G HA2 -0.370 3.598 3.960 0.013 0.000 0.299 719 G HA3 -0.370 3.598 3.960 0.013 0.000 0.299 719 G C 0.793 175.696 174.900 0.005 0.000 1.002 719 G CA 1.090 46.184 45.100 -0.009 0.000 0.979 719 G HN 0.958 nan 8.290 nan 0.000 0.513 720 S N -1.887 113.833 115.700 0.034 0.000 2.517 720 S HA 0.458 4.936 4.470 0.013 0.000 0.214 720 S C 1.021 175.612 174.600 -0.015 0.000 0.991 720 S CA -0.068 58.140 58.200 0.014 0.000 0.906 720 S CB 0.381 63.602 63.200 0.036 0.000 0.789 720 S HN 0.298 nan 8.310 nan 0.000 0.513 721 L N 2.394 123.601 121.223 -0.026 0.000 2.452 721 L HA 0.463 4.811 4.340 0.013 0.000 0.267 721 L C 0.338 177.166 176.870 -0.070 0.000 1.188 721 L CA 0.777 55.573 54.840 -0.073 0.000 0.821 721 L CB 0.340 42.336 42.059 -0.105 0.000 1.102 721 L HN 0.398 nan 8.230 nan 0.000 0.470 722 Q N 1.365 121.107 119.800 -0.097 0.000 2.451 722 Q HA 0.490 4.838 4.340 0.013 0.000 0.281 722 Q C -1.153 174.749 176.000 -0.163 0.000 1.099 722 Q CA -0.898 54.841 55.803 -0.106 0.000 0.806 722 Q CB 2.058 30.740 28.738 -0.093 0.000 1.419 722 Q HN 0.475 nan 8.270 nan 0.000 0.427 723 N N 0.309 118.911 118.700 -0.164 0.000 2.425 723 N HA 0.209 4.956 4.740 0.013 0.000 0.268 723 N C 0.032 175.369 175.510 -0.288 0.000 0.991 723 N CA -0.087 52.833 53.050 -0.218 0.000 0.931 723 N CB 1.712 40.107 38.487 -0.154 0.000 1.130 723 N HN 0.895 nan 8.380 nan 0.000 0.493 724 G N 0.461 108.959 108.800 -0.503 0.000 2.985 724 G HA2 0.167 4.134 3.960 0.013 0.000 0.209 724 G HA3 0.167 4.134 3.960 0.013 0.000 0.209 724 G C 0.380 175.115 174.900 -0.276 0.000 1.165 724 G CA 0.106 44.856 45.100 -0.583 0.000 0.776 724 G HN 0.443 nan 8.290 nan 0.000 0.541 725 V N -1.736 118.044 119.914 -0.224 0.000 2.823 725 V HA 0.840 4.968 4.120 0.013 0.000 0.312 725 V C 0.059 176.053 176.094 -0.165 0.000 1.072 725 V CA -0.493 61.719 62.300 -0.146 0.000 0.937 725 V CB 1.205 32.947 31.823 -0.136 0.000 1.013 725 V HN 0.148 nan 8.190 nan 0.000 0.430 726 T N 0.345 114.806 114.554 -0.155 0.000 2.884 726 T HA 0.735 5.092 4.350 0.013 0.000 0.277 726 T C 1.385 175.912 174.700 -0.289 0.000 0.976 726 T CA -0.002 61.992 62.100 -0.176 0.000 0.956 726 T CB 1.479 70.277 68.868 -0.116 0.000 1.113 726 T HN 1.429 nan 8.240 nan 0.000 0.554 727 A N 0.470 123.088 122.820 -0.337 0.000 1.883 727 A HA 0.151 4.479 4.320 0.013 0.000 0.217 727 A C 2.540 179.940 177.584 -0.306 0.000 1.186 727 A CA 1.937 53.638 52.037 -0.559 0.000 0.624 727 A CB -1.580 17.246 19.000 -0.291 0.000 0.822 727 A HN 1.236 nan 8.150 nan 0.000 0.444 728 A N -0.966 121.771 122.820 -0.139 0.000 2.119 728 A HA -0.012 4.315 4.320 0.013 0.000 0.217 728 A C 1.610 179.173 177.584 -0.034 0.000 1.153 728 A CA 1.619 53.630 52.037 -0.044 0.000 0.692 728 A CB -0.459 18.533 19.000 -0.014 0.000 0.799 728 A HN 0.450 nan 8.150 nan 0.000 0.458 729 D N -0.509 119.838 120.400 -0.087 0.000 2.224 729 D HA -0.005 4.643 4.640 0.013 0.000 0.205 729 D C 0.937 177.182 176.300 -0.093 0.000 0.965 729 D CA 0.788 54.745 54.000 -0.072 0.000 0.852 729 D CB 0.152 40.894 40.800 -0.096 0.000 0.947 729 D HN 0.095 nan 8.370 nan 0.000 0.494 730 R N 0.375 120.770 120.500 -0.176 0.000 3.026 730 R HA 0.331 4.679 4.340 0.013 0.000 0.317 730 R C -1.163 175.194 176.300 0.094 0.000 1.278 730 R CA -0.251 55.677 56.100 -0.287 0.000 1.407 730 R CB 1.145 31.154 30.300 -0.486 0.000 1.368 730 R HN -0.079 nan 8.270 nan 0.000 0.612 731 V N 1.362 121.456 119.914 0.299 0.000 2.577 731 V HA 0.263 4.390 4.120 0.013 0.000 0.303 731 V C -0.111 176.192 176.094 0.348 0.000 1.042 731 V CA -0.974 61.559 62.300 0.388 0.000 0.872 731 V CB 3.025 35.005 31.823 0.261 0.000 0.998 731 V HN 0.141 nan 8.190 nan 0.000 0.423 732 K N 4.280 124.840 120.400 0.267 0.000 2.219 732 K HA 0.380 4.707 4.320 0.013 0.000 0.258 732 K C 0.039 176.740 176.600 0.168 0.000 1.008 732 K CA -0.284 56.017 56.287 0.022 0.000 0.928 732 K CB 0.553 32.847 32.500 -0.342 0.000 0.983 732 K HN 0.645 nan 8.250 nan 0.000 0.484 733 K N 1.139 121.601 120.400 0.103 0.000 2.206 733 K HA 0.425 4.753 4.320 0.013 0.000 0.264 733 K C 0.289 176.978 176.600 0.148 0.000 0.967 733 K CA -0.265 56.099 56.287 0.128 0.000 0.844 733 K CB 1.148 33.698 32.500 0.083 0.000 1.099 733 K HN 0.635 nan 8.250 nan 0.000 0.441 734 G N 2.381 111.279 108.800 0.164 0.000 2.198 734 G HA2 -0.294 3.673 3.960 0.013 0.000 0.260 734 G HA3 -0.294 3.673 3.960 0.013 0.000 0.260 734 G C -0.738 174.305 174.900 0.239 0.000 1.025 734 G CA 0.105 45.299 45.100 0.157 0.000 0.769 734 G HN 0.622 nan 8.290 nan 0.000 0.507 735 F N 1.660 121.667 119.950 0.095 0.000 2.350 735 F HA 0.543 5.078 4.527 0.014 0.000 0.365 735 F C 0.007 175.887 175.800 0.134 0.000 1.122 735 F CA -2.172 55.897 58.000 0.114 0.000 1.139 735 F CB 0.919 40.017 39.000 0.164 0.000 1.220 735 F HN 0.020 nan 8.300 nan 0.000 0.499 736 D N 6.282 126.596 120.400 -0.143 0.000 2.973 736 D HA 0.100 4.747 4.640 0.013 0.000 0.263 736 D C -1.088 175.011 176.300 -0.336 0.000 1.266 736 D CA 0.346 54.241 54.000 -0.175 0.000 0.975 736 D CB -0.263 40.491 40.800 -0.077 0.000 1.032 736 D HN 0.299 nan 8.370 nan 0.000 0.510 737 F N 2.319 121.801 119.950 -0.780 0.000 2.434 737 F HA 0.222 4.757 4.527 0.013 0.000 0.355 737 F C -0.406 175.055 175.800 -0.565 0.000 1.115 737 F CA -1.002 56.519 58.000 -0.797 0.000 1.010 737 F CB 0.817 39.046 39.000 -1.284 0.000 1.234 737 F HN -0.005 nan 8.300 nan 0.000 0.439 738 Q N 4.662 124.063 119.800 -0.665 0.000 2.294 738 Q HA 0.274 4.621 4.340 0.013 0.000 0.257 738 Q C -1.479 174.234 176.000 -0.479 0.000 0.955 738 Q CA -0.610 54.973 55.803 -0.366 0.000 0.936 738 Q CB 0.842 29.440 28.738 -0.233 0.000 1.188 738 Q HN 0.617 nan 8.270 nan 0.000 0.420 739 W N 3.567 124.808 121.300 -0.098 0.000 2.215 739 W HA 0.259 4.926 4.660 0.013 0.000 0.342 739 W C -1.463 174.986 176.519 -0.117 0.000 1.237 739 W CA -1.865 55.466 57.345 -0.023 0.000 1.283 739 W CB -0.092 29.480 29.460 0.187 0.000 1.131 739 W HN 0.579 nan 8.180 nan 0.000 0.606 740 P HA -0.202 nan 4.420 nan 0.000 0.215 740 P C 0.028 177.360 177.300 0.053 0.000 1.157 740 P CA 1.547 64.629 63.100 -0.030 0.000 0.874 740 P CB 0.242 31.894 31.700 -0.080 0.000 0.790 741 Q N -1.708 118.163 119.800 0.118 0.000 2.357 741 Q HA 0.244 4.591 4.340 0.013 0.000 0.266 741 Q C -1.946 174.118 176.000 0.106 0.000 1.021 741 Q CA -2.428 53.422 55.803 0.078 0.000 0.784 741 Q CB 1.041 29.797 28.738 0.029 0.000 1.243 741 Q HN -0.105 nan 8.270 nan 0.000 0.465 742 P HA -0.198 nan 4.420 nan 0.000 0.217 742 P C 0.081 177.418 177.300 0.062 0.000 1.162 742 P CA 1.345 64.524 63.100 0.132 0.000 0.901 742 P CB 0.344 32.106 31.700 0.105 0.000 0.793 743 D N -1.167 119.252 120.400 0.032 0.000 2.538 743 D HA 0.063 4.711 4.640 0.013 0.000 0.234 743 D C -0.410 175.841 176.300 -0.081 0.000 1.191 743 D CA 0.157 54.175 54.000 0.031 0.000 0.828 743 D CB -0.672 40.169 40.800 0.068 0.000 0.981 743 D HN -0.005 nan 8.370 nan 0.000 0.490 744 K N 0.342 120.612 120.400 -0.217 0.000 2.865 744 K HA 0.286 4.614 4.320 0.013 0.000 0.215 744 K C -2.636 173.666 176.600 -0.496 0.000 1.120 744 K CA -1.362 54.728 56.287 -0.328 0.000 1.037 744 K CB 2.011 34.408 32.500 -0.171 0.000 1.233 744 K HN -0.133 nan 8.250 nan 0.000 0.577 745 P HA 0.037 nan 4.420 nan 0.000 0.244 745 P C -0.934 175.833 177.300 -0.888 0.000 1.723 745 P CA 0.204 62.398 63.100 -1.509 0.000 1.110 745 P CB -0.225 30.777 31.700 -1.165 0.000 1.972 746 M N 1.130 120.590 119.600 -0.233 0.000 2.569 746 M HA 0.665 5.153 4.480 0.013 0.000 0.287 746 M C -1.988 174.658 176.300 0.577 0.000 1.130 746 M CA -1.046 54.375 55.300 0.202 0.000 0.885 746 M CB 1.884 34.499 32.600 0.024 0.000 1.759 746 M HN -0.004 nan 8.290 nan 0.000 0.515 747 F N -0.138 120.128 119.950 0.527 0.000 2.690 747 F HA 0.642 5.177 4.527 0.014 0.000 0.311 747 F C -2.419 173.706 175.800 0.542 0.000 1.111 747 F CA -1.197 57.137 58.000 0.556 0.000 1.003 747 F CB 0.893 40.154 39.000 0.435 0.000 1.283 747 F HN 0.635 nan 8.300 nan 0.000 0.442 748 F N 4.418 124.704 119.950 0.560 0.000 2.405 748 F HA 0.370 4.904 4.527 0.012 0.000 0.358 748 F C -0.374 175.680 175.800 0.423 0.000 1.151 748 F CA -0.677 57.484 58.000 0.268 0.000 1.161 748 F CB 0.143 39.168 39.000 0.043 0.000 1.245 748 F HN 0.630 nan 8.300 nan 0.000 0.545 749 Y N 6.140 126.581 120.300 0.234 0.000 2.537 749 Y HA 0.247 4.805 4.550 0.012 0.000 0.339 749 Y C -0.313 175.703 175.900 0.193 0.000 1.066 749 Y CA -0.453 57.823 58.100 0.293 0.000 1.357 749 Y CB 0.401 39.001 38.460 0.233 0.000 1.175 749 Y HN 0.271 nan 8.280 nan 0.000 0.525 750 V N 7.336 127.204 119.914 -0.076 0.000 2.377 750 V HA 0.037 4.165 4.120 0.013 0.000 0.254 750 V C 0.302 176.229 176.094 -0.280 0.000 1.060 750 V CA 0.194 62.486 62.300 -0.013 0.000 1.068 750 V CB -0.430 31.388 31.823 -0.008 0.000 1.113 750 V HN 0.804 nan 8.190 nan 0.000 0.484 751 T N 5.509 119.994 114.554 -0.116 0.000 2.743 751 T HA 0.293 4.651 4.350 0.013 0.000 0.292 751 T C 0.183 174.862 174.700 -0.035 0.000 0.972 751 T CA -0.284 61.764 62.100 -0.085 0.000 0.967 751 T CB 0.916 69.791 68.868 0.012 0.000 0.926 751 T HN 0.655 nan 8.240 nan 0.000 0.459 752 Q N 2.180 121.954 119.800 -0.044 0.000 2.810 752 Q HA 0.489 4.836 4.340 0.013 0.000 0.236 752 Q C 0.437 176.420 176.000 -0.027 0.000 1.278 752 Q CA -0.421 55.364 55.803 -0.031 0.000 1.065 752 Q CB 0.725 29.443 28.738 -0.034 0.000 1.364 752 Q HN 0.783 nan 8.270 nan 0.000 0.570 753 G N 0.586 109.367 108.800 -0.031 0.000 2.482 753 G HA2 0.398 4.366 3.960 0.013 0.000 0.317 753 G HA3 0.398 4.366 3.960 0.013 0.000 0.317 753 G C -0.948 173.920 174.900 -0.053 0.000 1.241 753 G CA -0.431 44.646 45.100 -0.038 0.000 0.967 753 G HN 0.134 nan 8.290 nan 0.000 0.482 754 Q N 0.162 119.926 119.800 -0.059 0.000 2.259 754 Q HA 0.306 4.654 4.340 0.013 0.000 0.246 754 Q C -0.194 175.754 176.000 -0.088 0.000 0.920 754 Q CA -0.177 55.586 55.803 -0.066 0.000 0.895 754 Q CB 1.582 30.285 28.738 -0.058 0.000 1.220 754 Q HN 0.790 nan 8.270 nan 0.000 0.439 755 E N 0.806 120.957 120.200 -0.081 0.000 2.176 755 E HA 0.416 4.773 4.350 0.013 0.000 0.267 755 E C -0.438 176.137 176.600 -0.042 0.000 0.893 755 E CA -0.672 55.678 56.400 -0.082 0.000 0.761 755 E CB 1.650 31.290 29.700 -0.100 0.000 1.133 755 E HN 0.534 nan 8.360 nan 0.000 0.409 756 E N 3.524 123.680 120.200 -0.073 0.000 2.672 756 E HA 0.492 4.850 4.350 0.013 0.000 0.235 756 E C -0.270 176.249 176.600 -0.135 0.000 0.906 756 E CA -1.088 55.263 56.400 -0.081 0.000 0.973 756 E CB 0.948 30.583 29.700 -0.108 0.000 1.478 756 E HN 0.551 nan 8.360 nan 0.000 0.430 757 I N 0.960 121.412 120.570 -0.196 0.000 2.926 757 I HA 0.289 4.466 4.170 0.013 0.000 0.295 757 I C -0.283 175.718 176.117 -0.193 0.000 1.463 757 I CA -0.895 60.217 61.300 -0.313 0.000 0.892 757 I CB 1.106 38.854 38.000 -0.419 0.000 1.874 757 I HN 0.599 nan 8.210 nan 0.000 0.620 758 A N 2.195 124.927 122.820 -0.147 0.000 2.602 758 A HA -0.120 4.208 4.320 0.013 0.000 0.257 758 A C 1.017 178.564 177.584 -0.062 0.000 0.973 758 A CA 0.757 52.743 52.037 -0.084 0.000 0.862 758 A CB 0.047 19.018 19.000 -0.049 0.000 0.855 758 A HN 0.701 nan 8.150 nan 0.000 0.492 759 S N 2.460 118.135 115.700 -0.042 0.000 2.973 759 S HA 0.210 4.688 4.470 0.013 0.000 0.357 759 S C 1.275 175.867 174.600 -0.014 0.000 1.159 759 S CA 0.649 58.831 58.200 -0.029 0.000 1.423 759 S CB -0.747 62.444 63.200 -0.015 0.000 1.115 759 S HN 2.055 nan 8.310 nan 0.000 0.563 760 S N 3.075 118.761 115.700 -0.024 0.000 3.299 760 S HA 0.470 4.948 4.470 0.013 0.000 0.213 760 S C 0.831 175.422 174.600 -0.016 0.000 0.997 760 S CA 0.392 58.587 58.200 -0.009 0.000 1.189 760 S CB -0.176 63.025 63.200 0.002 0.000 1.106 760 S HN 1.301 nan 8.310 nan 0.000 0.403 761 G N 0.818 109.595 108.800 -0.038 0.000 2.600 761 G HA2 0.338 4.306 3.960 0.013 0.000 0.072 761 G HA3 0.338 4.306 3.960 0.013 0.000 0.072 761 G C -0.923 173.933 174.900 -0.074 0.000 1.051 761 G CA 0.452 45.529 45.100 -0.038 0.000 1.230 761 G HN 0.775 nan 8.290 nan 0.000 0.547 762 T N 0.744 115.265 114.554 -0.055 0.000 3.375 762 T HA 0.640 4.997 4.350 0.013 0.000 0.363 762 T C -0.782 173.886 174.700 -0.053 0.000 1.837 762 T CA 0.537 62.589 62.100 -0.080 0.000 1.445 762 T CB -0.422 68.438 68.868 -0.013 0.000 1.089 762 T HN 0.890 nan 8.240 nan 0.000 0.722 763 S N 2.619 118.227 115.700 -0.152 0.000 2.533 763 S HA 0.676 5.154 4.470 0.013 0.000 0.271 763 S C -1.701 172.750 174.600 -0.248 0.000 1.143 763 S CA -0.546 57.633 58.200 -0.035 0.000 0.891 763 S CB 0.839 64.084 63.200 0.075 0.000 1.105 763 S HN 0.511 nan 8.310 nan 0.000 0.468 764 Y N 2.864 123.059 120.300 -0.174 0.000 2.488 764 Y HA 0.775 5.333 4.550 0.012 0.000 0.325 764 Y C 0.188 175.892 175.900 -0.326 0.000 1.204 764 Y CA -0.896 56.961 58.100 -0.405 0.000 1.229 764 Y CB 1.351 39.303 38.460 -0.847 0.000 1.274 764 Y HN 0.673 nan 8.280 nan 0.000 0.493 765 L N 0.360 121.506 121.223 -0.128 0.000 2.565 765 L HA 0.580 4.927 4.340 0.013 0.000 0.261 765 L C -1.692 175.071 176.870 -0.179 0.000 0.932 765 L CA -0.948 53.812 54.840 -0.133 0.000 0.878 765 L CB 2.016 43.989 42.059 -0.142 0.000 1.333 765 L HN 0.480 nan 8.230 nan 0.000 0.409 766 N N 2.714 121.325 118.700 -0.148 0.000 2.469 766 N HA 0.249 4.996 4.740 0.013 0.000 0.239 766 N C 0.724 176.120 175.510 -0.191 0.000 1.053 766 N CA -0.094 52.868 53.050 -0.147 0.000 0.937 766 N CB 1.578 40.009 38.487 -0.094 0.000 1.163 766 N HN 0.884 nan 8.380 nan 0.000 0.509 767 R N 1.625 121.954 120.500 -0.286 0.000 2.091 767 R HA -0.092 4.256 4.340 0.013 0.000 0.238 767 R C 1.219 177.416 176.300 -0.172 0.000 1.136 767 R CA 1.959 57.836 56.100 -0.371 0.000 0.959 767 R CB 0.152 30.252 30.300 -0.334 0.000 0.856 767 R HN 0.418 nan 8.270 nan 0.000 0.437 768 T N -0.299 114.187 114.554 -0.112 0.000 2.978 768 T HA -0.035 4.322 4.350 0.013 0.000 0.262 768 T C 1.380 176.060 174.700 -0.034 0.000 1.063 768 T CA 0.778 62.843 62.100 -0.058 0.000 1.140 768 T CB 0.046 68.895 68.868 -0.033 0.000 0.886 768 T HN 0.345 nan 8.240 nan 0.000 0.470 769 E N 0.809 120.987 120.200 -0.036 0.000 2.106 769 E HA -0.065 4.292 4.350 0.013 0.000 0.192 769 E C 2.378 178.977 176.600 -0.002 0.000 0.984 769 E CA 0.817 57.215 56.400 -0.002 0.000 0.806 769 E CB -0.085 29.608 29.700 -0.012 0.000 0.750 769 E HN 0.452 nan 8.360 nan 0.000 0.458 770 A N 1.180 123.981 122.820 -0.031 0.000 1.902 770 A HA -0.146 4.181 4.320 0.013 0.000 0.217 770 A C 2.359 179.860 177.584 -0.137 0.000 1.181 770 A CA 1.734 53.750 52.037 -0.036 0.000 0.623 770 A CB -0.680 18.363 19.000 0.071 0.000 0.818 770 A HN 0.369 nan 8.150 nan 0.000 0.443 771 A N 0.371 123.049 122.820 -0.236 0.000 1.908 771 A HA -0.216 4.112 4.320 0.013 0.000 0.218 771 A C 1.951 179.578 177.584 0.073 0.000 1.181 771 A CA 1.738 53.714 52.037 -0.102 0.000 0.627 771 A CB -0.646 18.328 19.000 -0.043 0.000 0.818 771 A HN 0.592 nan 8.150 nan 0.000 0.445 772 N N 0.020 118.756 118.700 0.061 0.000 2.244 772 N HA -0.096 4.652 4.740 0.013 0.000 0.183 772 N C 1.705 177.230 175.510 0.025 0.000 1.016 772 N CA 1.472 54.574 53.050 0.086 0.000 0.866 772 N CB -0.306 38.307 38.487 0.211 0.000 0.980 772 N HN 0.286 nan 8.380 nan 0.000 0.430 773 V N 1.928 121.860 119.914 0.029 0.000 2.427 773 V HA -0.214 3.913 4.120 0.013 0.000 0.248 773 V C 2.517 178.616 176.094 0.009 0.000 1.051 773 V CA 1.832 64.138 62.300 0.010 0.000 1.048 773 V CB -0.510 31.328 31.823 0.024 0.000 0.666 773 V HN 0.364 nan 8.190 nan 0.000 0.456 774 E N 1.116 121.340 120.200 0.040 0.000 2.077 774 E HA -0.253 4.104 4.350 0.013 0.000 0.193 774 E C 2.029 178.633 176.600 0.007 0.000 0.989 774 E CA 1.775 58.182 56.400 0.011 0.000 0.800 774 E CB -0.399 29.386 29.700 0.141 0.000 0.746 774 E HN 0.533 nan 8.360 nan 0.000 0.452 775 K N 0.026 120.442 120.400 0.028 0.000 2.057 775 K HA -0.061 4.266 4.320 0.013 0.000 0.206 775 K C 2.057 178.652 176.600 -0.008 0.000 1.050 775 K CA 1.316 57.609 56.287 0.010 0.000 0.935 775 K CB -0.159 32.340 32.500 -0.001 0.000 0.715 775 K HN 0.191 nan 8.250 nan 0.000 0.439 776 I N 1.417 121.966 120.570 -0.034 0.000 2.179 776 I HA -0.229 3.949 4.170 0.013 0.000 0.242 776 I C 2.128 178.235 176.117 -0.016 0.000 1.088 776 I CA 1.697 62.981 61.300 -0.027 0.000 1.357 776 I CB -1.610 36.351 38.000 -0.066 0.000 1.051 776 I HN 0.168 nan 8.210 nan 0.000 0.409 777 T N 0.371 114.924 114.554 -0.001 0.000 2.833 777 T HA -0.126 4.232 4.350 0.013 0.000 0.269 777 T C 1.866 176.621 174.700 0.092 0.000 1.054 777 T CA 1.797 63.919 62.100 0.036 0.000 1.135 777 T CB -0.375 68.535 68.868 0.068 0.000 0.869 777 T HN 0.342 nan 8.240 nan 0.000 0.466 778 T N 1.282 115.900 114.554 0.106 0.000 2.904 778 T HA 0.008 4.365 4.350 0.013 0.000 0.267 778 T C 1.941 176.676 174.700 0.058 0.000 1.059 778 T CA 0.909 63.085 62.100 0.127 0.000 1.137 778 T CB -0.041 68.895 68.868 0.114 0.000 0.879 778 T HN 0.360 nan 8.240 nan 0.000 0.467 779 K N 0.597 121.025 120.400 0.048 0.000 2.103 779 K HA 0.127 4.455 4.320 0.013 0.000 0.204 779 K C 2.092 178.725 176.600 0.055 0.000 1.052 779 K CA 0.688 57.019 56.287 0.073 0.000 0.945 779 K CB -0.144 32.448 32.500 0.153 0.000 0.722 779 K HN 0.246 nan 8.250 nan 0.000 0.443 780 L N 0.775 121.947 121.223 -0.085 0.000 2.093 780 L HA -0.161 4.187 4.340 0.013 0.000 0.208 780 L C 2.156 178.986 176.870 -0.067 0.000 1.085 780 L CA 0.904 55.591 54.840 -0.256 0.000 0.755 780 L CB -0.211 41.593 42.059 -0.426 0.000 0.904 780 L HN 0.189 nan 8.230 nan 0.000 0.435 781 L N -0.071 121.139 121.223 -0.022 0.000 2.095 781 L HA -0.152 4.195 4.340 0.013 0.000 0.204 781 L C 2.376 179.252 176.870 0.009 0.000 1.080 781 L CA 1.150 55.990 54.840 0.000 0.000 0.759 781 L CB -0.313 41.743 42.059 -0.004 0.000 0.914 781 L HN 0.290 nan 8.230 nan 0.000 0.439 782 K N 0.118 120.522 120.400 0.007 0.000 2.487 782 K HA 0.139 4.467 4.320 0.013 0.000 0.192 782 K C 1.434 178.040 176.600 0.010 0.000 1.027 782 K CA 0.834 57.122 56.287 0.003 0.000 1.054 782 K CB 0.174 32.670 32.500 -0.008 0.000 0.824 782 K HN 0.117 nan 8.250 nan 0.000 0.510 783 A N 0.413 123.248 122.820 0.025 0.000 2.220 783 A HA 0.491 4.818 4.320 0.013 0.000 0.211 783 A C 1.561 179.243 177.584 0.164 0.000 1.176 783 A CA 0.518 52.562 52.037 0.012 0.000 0.834 783 A CB 0.054 18.974 19.000 -0.133 0.000 0.868 783 A HN 0.545 nan 8.150 nan 0.000 0.488 784 G N -1.125 107.787 108.800 0.187 0.000 4.025 784 G HA2 0.285 4.253 3.960 0.013 0.000 0.195 784 G HA3 0.285 4.253 3.960 0.013 0.000 0.195 784 G C 0.644 175.608 174.900 0.107 0.000 1.546 784 G CA -0.033 45.181 45.100 0.189 0.000 1.007 784 G HN 1.481 nan 8.290 nan 0.000 0.388 785 A N 2.126 125.010 122.820 0.107 0.000 2.608 785 A HA 0.393 4.720 4.320 0.013 0.000 0.239 785 A C 0.663 178.255 177.584 0.012 0.000 1.018 785 A CA 0.872 52.895 52.037 -0.022 0.000 0.766 785 A CB 0.049 18.971 19.000 -0.130 0.000 0.928 785 A HN 0.456 nan 8.150 nan 0.000 0.512 786 K N 3.461 123.871 120.400 0.017 0.000 2.295 786 K HA 0.200 4.527 4.320 0.013 0.000 0.270 786 K C -1.974 174.650 176.600 0.040 0.000 1.011 786 K CA -2.097 54.202 56.287 0.020 0.000 0.953 786 K CB -0.109 32.398 32.500 0.013 0.000 0.956 786 K HN 0.328 nan 8.250 nan 0.000 0.477 787 P HA -0.194 nan 4.420 nan 0.000 0.215 787 P C 0.700 178.044 177.300 0.073 0.000 1.153 787 P CA 1.424 64.552 63.100 0.047 0.000 0.853 787 P CB 0.120 31.834 31.700 0.022 0.000 0.788 788 D N -1.356 119.081 120.400 0.061 0.000 2.363 788 D HA -0.123 4.525 4.640 0.013 0.000 0.226 788 D C 0.830 177.183 176.300 0.088 0.000 1.020 788 D CA 0.703 54.746 54.000 0.071 0.000 0.892 788 D CB -0.365 40.464 40.800 0.048 0.000 0.900 788 D HN 0.150 nan 8.370 nan 0.000 0.531 789 Q N 0.382 120.238 119.800 0.095 0.000 2.201 789 Q HA 0.372 4.720 4.340 0.013 0.000 0.236 789 Q C -0.170 175.939 176.000 0.181 0.000 0.857 789 Q CA -0.153 55.718 55.803 0.112 0.000 1.025 789 Q CB 1.027 29.811 28.738 0.078 0.000 1.124 789 Q HN 0.446 nan 8.270 nan 0.000 0.473 790 I N 0.217 120.889 120.570 0.169 0.000 2.439 790 I HA 0.442 4.620 4.170 0.013 0.000 0.285 790 I C -0.008 176.208 176.117 0.164 0.000 1.021 790 I CA -0.907 60.500 61.300 0.178 0.000 1.091 790 I CB 2.263 40.344 38.000 0.136 0.000 1.242 790 I HN -0.038 nan 8.210 nan 0.000 0.439 791 G N 7.284 116.161 108.800 0.127 0.000 2.417 791 G HA2 0.708 4.676 3.960 0.013 0.000 0.320 791 G HA3 0.708 4.676 3.960 0.013 0.000 0.320 791 G C -0.732 174.175 174.900 0.013 0.000 1.204 791 G CA -0.411 44.765 45.100 0.126 0.000 0.923 791 G HN 0.478 nan 8.290 nan 0.000 0.466 792 I N 3.052 123.691 120.570 0.115 0.000 2.312 792 I HA 0.328 4.506 4.170 0.013 0.000 0.290 792 I C -0.195 175.994 176.117 0.120 0.000 1.008 792 I CA -0.448 60.900 61.300 0.078 0.000 1.226 792 I CB 1.437 39.503 38.000 0.109 0.000 1.371 792 I HN 0.193 nan 8.210 nan 0.000 0.468 793 I N 5.370 125.950 120.570 0.017 0.000 2.354 793 I HA 0.438 4.616 4.170 0.013 0.000 0.292 793 I C 0.047 176.328 176.117 0.274 0.000 0.989 793 I CA -0.296 61.063 61.300 0.098 0.000 1.188 793 I CB 1.949 39.862 38.000 -0.145 0.000 1.342 793 I HN 0.483 nan 8.210 nan 0.000 0.457 794 T N 5.911 120.693 114.554 0.380 0.000 2.923 794 T HA 0.448 4.806 4.350 0.013 0.000 0.311 794 T C -2.392 172.459 174.700 0.251 0.000 1.183 794 T CA -1.624 60.728 62.100 0.419 0.000 1.020 794 T CB 2.166 71.198 68.868 0.273 0.000 1.165 794 T HN 0.272 nan 8.240 nan 0.000 0.482 795 P HA 0.184 nan 4.420 nan 0.000 0.236 795 P C -0.728 176.289 177.300 -0.472 0.000 1.177 795 P CA 0.494 63.363 63.100 -0.384 0.000 0.773 795 P CB -0.082 31.093 31.700 -0.875 0.000 0.878 796 Y N -0.856 119.460 120.300 0.027 0.000 2.429 796 Y HA 0.312 4.871 4.550 0.014 0.000 0.342 796 Y C 1.701 177.648 175.900 0.078 0.000 1.004 796 Y CA -0.837 57.299 58.100 0.059 0.000 1.075 796 Y CB 1.379 39.885 38.460 0.077 0.000 1.214 796 Y HN -0.288 nan 8.280 nan 0.000 0.455 797 E N 1.618 121.945 120.200 0.211 0.000 2.268 797 E HA -0.056 4.302 4.350 0.013 0.000 0.195 797 E C 2.041 178.733 176.600 0.154 0.000 0.995 797 E CA 1.505 57.996 56.400 0.151 0.000 0.836 797 E CB -0.167 29.599 29.700 0.111 0.000 0.763 797 E HN 0.963 nan 8.360 nan 0.000 0.491 798 G N 0.057 108.962 108.800 0.175 0.000 2.402 798 G HA2 -0.308 3.660 3.960 0.013 0.000 0.216 798 G HA3 -0.308 3.660 3.960 0.013 0.000 0.216 798 G C 1.634 176.622 174.900 0.147 0.000 1.162 798 G CA 0.759 45.933 45.100 0.123 0.000 0.777 798 G HN 0.312 nan 8.290 nan 0.000 0.539 799 Q N 0.258 120.161 119.800 0.173 0.000 2.119 799 Q HA 0.074 4.422 4.340 0.013 0.000 0.201 799 Q C 2.596 178.713 176.000 0.194 0.000 0.972 799 Q CA 1.075 56.985 55.803 0.178 0.000 0.847 799 Q CB -0.213 28.634 28.738 0.182 0.000 0.903 799 Q HN 0.442 nan 8.270 nan 0.000 0.433 800 R N -0.784 119.820 120.500 0.174 0.000 2.080 800 R HA -0.096 4.251 4.340 0.013 0.000 0.236 800 R C 2.391 178.762 176.300 0.119 0.000 1.137 800 R CA 1.769 57.954 56.100 0.142 0.000 0.943 800 R CB -0.329 30.047 30.300 0.127 0.000 0.846 800 R HN 0.235 nan 8.270 nan 0.000 0.431 801 S N -0.048 115.727 115.700 0.125 0.000 2.368 801 S HA -0.170 4.307 4.470 0.013 0.000 0.224 801 S C 1.633 176.302 174.600 0.114 0.000 1.029 801 S CA 1.041 59.302 58.200 0.101 0.000 0.988 801 S CB -0.415 62.849 63.200 0.106 0.000 0.838 801 S HN 0.379 nan 8.310 nan 0.000 0.462 802 Y N 1.879 122.210 120.300 0.051 0.000 2.293 802 Y HA 0.036 4.593 4.550 0.012 0.000 0.291 802 Y C 1.829 177.769 175.900 0.066 0.000 1.137 802 Y CA 0.858 58.995 58.100 0.060 0.000 1.202 802 Y CB -0.258 38.223 38.460 0.034 0.000 0.990 802 Y HN 0.142 nan 8.280 nan 0.000 0.537 803 L N -1.650 119.619 121.223 0.077 0.000 2.044 803 L HA -0.183 4.164 4.340 0.013 0.000 0.205 803 L C 2.330 179.170 176.870 -0.050 0.000 1.075 803 L CA 0.946 55.802 54.840 0.026 0.000 0.747 803 L CB -0.612 41.497 42.059 0.083 0.000 0.903 803 L HN 0.018 nan 8.230 nan 0.000 0.435 804 V N -0.313 119.575 119.914 -0.042 0.000 2.332 804 V HA -0.319 3.808 4.120 0.013 0.000 0.248 804 V C 2.406 178.379 176.094 -0.201 0.000 1.055 804 V CA 1.756 64.008 62.300 -0.079 0.000 1.038 804 V CB -0.536 31.261 31.823 -0.043 0.000 0.651 804 V HN 0.534 nan 8.190 nan 0.000 0.450 805 Q N -1.690 117.942 119.800 -0.280 0.000 2.269 805 Q HA -0.113 4.234 4.340 0.013 0.000 0.201 805 Q C 2.084 177.657 176.000 -0.711 0.000 0.946 805 Q CA 1.150 56.598 55.803 -0.592 0.000 0.877 805 Q CB -0.074 28.383 28.738 -0.468 0.000 0.963 805 Q HN 0.795 nan 8.270 nan 0.000 0.472 806 Y N 0.755 120.722 120.300 -0.555 0.000 2.395 806 Y HA 0.056 4.614 4.550 0.012 0.000 0.293 806 Y C 1.181 176.886 175.900 -0.324 0.000 1.123 806 Y CA 0.672 58.509 58.100 -0.439 0.000 1.227 806 Y CB 0.264 38.380 38.460 -0.574 0.000 1.012 806 Y HN -0.070 nan 8.280 nan 0.000 0.552 807 M N 1.251 120.634 119.600 -0.362 0.000 3.709 807 M HA 0.131 4.619 4.480 0.013 0.000 0.202 807 M C 0.575 176.714 176.300 -0.269 0.000 1.360 807 M CA 0.663 55.674 55.300 -0.482 0.000 1.600 807 M CB 0.218 32.504 32.600 -0.524 0.000 1.061 807 M HN 0.499 nan 8.290 nan 0.000 0.575 808 Q N -1.079 118.548 119.800 -0.288 0.000 2.038 808 Q HA 0.010 4.357 4.340 0.013 0.000 0.153 808 Q C 0.568 176.501 176.000 -0.111 0.000 0.647 808 Q CA 0.020 55.707 55.803 -0.194 0.000 0.898 808 Q CB -0.074 28.460 28.738 -0.339 0.000 1.111 808 Q HN 0.335 nan 8.270 nan 0.000 0.303 809 F N 2.222 122.095 119.950 -0.128 0.000 2.171 809 F HA 0.092 4.627 4.527 0.013 0.000 0.300 809 F C 1.070 176.785 175.800 -0.142 0.000 1.090 809 F CA 1.570 59.503 58.000 -0.111 0.000 1.293 809 F CB 0.162 39.101 39.000 -0.101 0.000 1.013 809 F HN 0.228 nan 8.300 nan 0.000 0.486 810 S N -1.477 114.169 115.700 -0.091 0.000 2.680 810 S HA 0.563 5.040 4.470 0.013 0.000 0.153 810 S C -0.218 174.187 174.600 -0.326 0.000 1.224 810 S CA -0.453 57.646 58.200 -0.168 0.000 1.197 810 S CB 0.062 63.184 63.200 -0.130 0.000 1.634 810 S HN 0.269 nan 8.310 nan 0.000 0.422 811 G N 0.403 109.077 108.800 -0.210 0.000 2.434 811 G HA2 0.525 4.493 3.960 0.013 0.000 0.330 811 G HA3 0.525 4.493 3.960 0.013 0.000 0.330 811 G C 0.620 175.519 174.900 -0.002 0.000 1.155 811 G CA -0.305 44.707 45.100 -0.146 0.000 0.917 811 G HN 0.407 nan 8.290 nan 0.000 0.493 812 S N 0.116 115.842 115.700 0.045 0.000 2.423 812 S HA 0.089 4.566 4.470 0.013 0.000 0.231 812 S C 1.001 175.578 174.600 -0.037 0.000 1.014 812 S CA 0.582 58.791 58.200 0.015 0.000 0.965 812 S CB -0.477 62.741 63.200 0.030 0.000 0.785 812 S HN 0.380 nan 8.310 nan 0.000 0.495 813 L N 0.485 121.714 121.223 0.011 0.000 2.256 813 L HA 0.520 4.867 4.340 0.013 0.000 0.261 813 L C -0.015 176.716 176.870 -0.231 0.000 1.022 813 L CA -1.438 53.261 54.840 -0.235 0.000 0.828 813 L CB 0.703 42.585 42.059 -0.296 0.000 1.374 813 L HN 0.132 nan 8.230 nan 0.000 0.436 814 H N -0.370 118.640 119.070 -0.100 0.000 2.757 814 H HA 0.030 4.593 4.556 0.012 0.000 0.370 814 H C 0.418 175.675 175.328 -0.118 0.000 1.172 814 H CA 0.051 56.056 56.048 -0.072 0.000 1.426 814 H CB 0.591 30.314 29.762 -0.066 0.000 1.438 814 H HN 0.544 nan 8.280 nan 0.000 0.612 815 T N 1.930 116.553 114.554 0.116 0.000 3.163 815 T HA -0.037 4.321 4.350 0.013 0.000 0.260 815 T C 1.730 176.453 174.700 0.040 0.000 1.156 815 T CA 0.367 62.531 62.100 0.107 0.000 1.072 815 T CB 0.152 69.078 68.868 0.095 0.000 0.937 815 T HN 0.326 nan 8.240 nan 0.000 0.528 816 K N 0.843 121.238 120.400 -0.008 0.000 2.186 816 K HA 0.162 4.490 4.320 0.013 0.000 0.202 816 K C 1.950 178.509 176.600 -0.068 0.000 1.052 816 K CA 0.398 56.671 56.287 -0.022 0.000 0.965 816 K CB -0.194 32.293 32.500 -0.021 0.000 0.746 816 K HN 0.282 nan 8.250 nan 0.000 0.457 817 L N 0.030 121.139 121.223 -0.189 0.000 2.056 817 L HA -0.141 4.207 4.340 0.013 0.000 0.207 817 L C 2.252 179.030 176.870 -0.154 0.000 1.078 817 L CA 1.751 56.446 54.840 -0.241 0.000 0.749 817 L CB -1.446 40.353 42.059 -0.434 0.000 0.901 817 L HN 0.195 nan 8.230 nan 0.000 0.433 818 Y N -0.438 119.867 120.300 0.009 0.000 2.373 818 Y HA -0.141 4.416 4.550 0.012 0.000 0.293 818 Y C 2.763 178.672 175.900 0.014 0.000 1.129 818 Y CA 0.200 58.303 58.100 0.005 0.000 1.226 818 Y CB -0.175 38.275 38.460 -0.017 0.000 1.000 818 Y HN 0.259 nan 8.280 nan 0.000 0.549 819 Q N 0.606 120.489 119.800 0.137 0.000 2.135 819 Q HA -0.237 4.111 4.340 0.013 0.000 0.204 819 Q C 1.574 177.624 176.000 0.083 0.000 0.981 819 Q CA 1.743 57.604 55.803 0.097 0.000 0.856 819 Q CB -0.063 28.720 28.738 0.074 0.000 0.902 819 Q HN 0.637 nan 8.270 nan 0.000 0.425 820 E N -0.443 119.799 120.200 0.070 0.000 2.299 820 E HA -0.003 4.355 4.350 0.013 0.000 0.193 820 E C -0.051 176.601 176.600 0.086 0.000 0.998 820 E CA -0.083 56.354 56.400 0.061 0.000 0.851 820 E CB 0.493 30.216 29.700 0.038 0.000 0.795 820 E HN 0.025 nan 8.360 nan 0.000 0.492 821 V N 2.792 122.775 119.914 0.115 0.000 2.446 821 V HA -0.026 4.102 4.120 0.013 0.000 0.276 821 V C 0.278 176.454 176.094 0.136 0.000 1.030 821 V CA 0.334 62.717 62.300 0.138 0.000 1.033 821 V CB 0.544 32.468 31.823 0.168 0.000 0.993 821 V HN 0.139 nan 8.190 nan 0.000 0.477 822 E N 5.353 125.649 120.200 0.159 0.000 2.223 822 E HA 0.433 4.790 4.350 0.013 0.000 0.282 822 E C -0.852 175.887 176.600 0.232 0.000 1.046 822 E CA -0.370 56.125 56.400 0.158 0.000 0.857 822 E CB 0.683 30.468 29.700 0.141 0.000 1.055 822 E HN 0.624 nan 8.360 nan 0.000 0.409 823 I N 3.798 124.469 120.570 0.169 0.000 2.406 823 I HA 0.672 4.849 4.170 0.013 0.000 0.290 823 I C -0.237 175.987 176.117 0.178 0.000 0.999 823 I CA -0.481 60.937 61.300 0.196 0.000 1.124 823 I CB 1.698 39.779 38.000 0.135 0.000 1.289 823 I HN 0.574 nan 8.210 nan 0.000 0.441 824 A N 3.826 126.809 122.820 0.272 0.000 2.566 824 A HA 0.682 5.010 4.320 0.013 0.000 0.290 824 A C -0.460 177.303 177.584 0.299 0.000 1.071 824 A CA -0.534 51.630 52.037 0.210 0.000 0.658 824 A CB 1.238 20.267 19.000 0.049 0.000 1.285 824 A HN 0.688 nan 8.150 nan 0.000 0.427 825 S N -0.364 115.468 115.700 0.221 0.000 2.617 825 S HA 0.372 4.850 4.470 0.013 0.000 0.259 825 S C 1.463 176.253 174.600 0.316 0.000 1.301 825 S CA 0.089 58.434 58.200 0.242 0.000 0.984 825 S CB 0.543 63.826 63.200 0.138 0.000 0.954 825 S HN 2.064 nan 8.310 nan 0.000 0.572 826 V N -1.412 118.679 119.914 0.295 0.000 2.490 826 V HA -0.134 3.993 4.120 0.013 0.000 0.250 826 V C 1.633 177.850 176.094 0.205 0.000 1.061 826 V CA 2.130 64.587 62.300 0.261 0.000 1.064 826 V CB -1.622 30.322 31.823 0.202 0.000 0.670 826 V HN 0.809 nan 8.190 nan 0.000 0.461 827 D N 2.015 122.501 120.400 0.143 0.000 2.104 827 D HA -0.113 4.535 4.640 0.013 0.000 0.194 827 D C 2.240 178.578 176.300 0.063 0.000 0.994 827 D CA 2.096 56.147 54.000 0.085 0.000 0.830 827 D CB -0.444 40.391 40.800 0.058 0.000 0.959 827 D HN 0.599 nan 8.370 nan 0.000 0.452 828 A N -0.566 122.281 122.820 0.045 0.000 2.067 828 A HA -0.075 4.252 4.320 0.013 0.000 0.219 828 A C 1.476 178.967 177.584 -0.153 0.000 1.158 828 A CA 0.794 52.787 52.037 -0.074 0.000 0.661 828 A CB -0.558 18.354 19.000 -0.146 0.000 0.801 828 A HN 0.197 nan 8.150 nan 0.000 0.452 829 F N -0.150 119.814 119.950 0.024 0.000 2.765 829 F HA 0.157 4.691 4.527 0.011 0.000 0.302 829 F C 1.192 176.993 175.800 0.001 0.000 1.111 829 F CA -0.090 57.918 58.000 0.014 0.000 1.359 829 F CB 0.199 39.208 39.000 0.014 0.000 1.097 829 F HN 0.115 nan 8.300 nan 0.000 0.577 830 Q N 0.520 120.404 119.800 0.141 0.000 2.315 830 Q HA 0.167 4.515 4.340 0.013 0.000 0.289 830 Q C 1.275 177.306 176.000 0.051 0.000 1.044 830 Q CA 1.142 56.990 55.803 0.076 0.000 0.920 830 Q CB 0.647 29.408 28.738 0.039 0.000 1.214 830 Q HN 0.597 nan 8.270 nan 0.000 0.392 831 G N 3.309 112.131 108.800 0.038 0.000 2.160 831 G HA2 -0.289 3.678 3.960 0.013 0.000 0.251 831 G HA3 -0.289 3.678 3.960 0.013 0.000 0.251 831 G C 0.025 174.948 174.900 0.038 0.000 1.008 831 G CA 0.584 45.698 45.100 0.022 0.000 0.724 831 G HN 0.548 nan 8.290 nan 0.000 0.514 832 R N -0.316 120.231 120.500 0.078 0.000 2.836 832 R HA 0.714 5.061 4.340 0.013 0.000 0.269 832 R C -0.425 175.956 176.300 0.135 0.000 1.010 832 R CA -0.631 55.535 56.100 0.111 0.000 0.930 832 R CB 1.651 32.038 30.300 0.145 0.000 1.218 832 R HN 0.507 nan 8.270 nan 0.000 0.473 833 E N 1.061 121.338 120.200 0.128 0.000 2.413 833 E HA 0.529 4.887 4.350 0.013 0.000 0.277 833 E C -1.202 175.460 176.600 0.103 0.000 0.958 833 E CA -1.198 55.252 56.400 0.084 0.000 0.779 833 E CB 2.313 32.030 29.700 0.029 0.000 1.278 833 E HN 0.149 nan 8.360 nan 0.000 0.456 834 K N 0.922 121.353 120.400 0.053 0.000 2.480 834 K HA 0.243 4.570 4.320 0.013 0.000 0.258 834 K C -0.244 176.344 176.600 -0.020 0.000 0.990 834 K CA -0.774 55.545 56.287 0.053 0.000 0.857 834 K CB 1.594 34.150 32.500 0.092 0.000 1.384 834 K HN 0.498 nan 8.250 nan 0.000 0.446 835 D N 0.296 120.665 120.400 -0.053 0.000 2.144 835 D HA -0.010 4.637 4.640 0.013 0.000 0.199 835 D C 0.003 175.940 176.300 -0.607 0.000 0.984 835 D CA 1.523 55.362 54.000 -0.269 0.000 0.834 835 D CB 0.113 40.661 40.800 -0.421 0.000 0.955 835 D HN 0.246 nan 8.370 nan 0.000 0.465 836 F N -0.238 119.752 119.950 0.067 0.000 2.565 836 F HA 0.419 4.954 4.527 0.014 0.000 0.313 836 F C -0.122 175.672 175.800 -0.009 0.000 1.091 836 F CA -1.024 57.007 58.000 0.051 0.000 0.915 836 F CB 2.274 41.291 39.000 0.028 0.000 1.208 836 F HN -0.343 nan 8.300 nan 0.000 0.453 837 I N 4.477 125.132 120.570 0.143 0.000 2.466 837 I HA 0.420 4.598 4.170 0.013 0.000 0.289 837 I C -0.566 175.541 176.117 -0.016 0.000 1.026 837 I CA -0.622 60.667 61.300 -0.019 0.000 1.078 837 I CB 1.899 39.826 38.000 -0.122 0.000 1.249 837 I HN 0.499 nan 8.210 nan 0.000 0.429 838 I N 6.329 126.872 120.570 -0.046 0.000 2.354 838 I HA 0.346 4.523 4.170 0.013 0.000 0.292 838 I C -0.567 175.502 176.117 -0.079 0.000 0.989 838 I CA -0.887 60.377 61.300 -0.060 0.000 1.188 838 I CB 1.931 39.910 38.000 -0.035 0.000 1.342 838 I HN 0.233 nan 8.210 nan 0.000 0.457 839 L N 5.090 126.256 121.223 -0.095 0.000 2.282 839 L HA 0.358 4.706 4.340 0.013 0.000 0.288 839 L C 0.137 177.028 176.870 0.034 0.000 1.033 839 L CA 0.237 55.029 54.840 -0.081 0.000 0.807 839 L CB 1.670 43.634 42.059 -0.159 0.000 1.209 839 L HN 0.536 nan 8.230 nan 0.000 0.423 840 S N 3.457 119.266 115.700 0.181 0.000 2.528 840 S HA 0.336 4.813 4.470 0.013 0.000 0.303 840 S C -0.531 174.247 174.600 0.298 0.000 1.123 840 S CA -0.744 57.560 58.200 0.173 0.000 1.138 840 S CB -0.160 63.122 63.200 0.137 0.000 0.984 840 S HN 0.697 nan 8.310 nan 0.000 0.474 841 C N 4.931 124.351 119.300 0.200 0.000 2.116 841 C HA 0.323 4.791 4.460 0.013 0.000 0.367 841 C C 2.015 176.984 174.990 -0.036 0.000 1.039 841 C CA -0.993 58.065 59.018 0.067 0.000 1.465 841 C CB -1.485 26.221 27.740 -0.057 0.000 1.783 841 C HN 0.785 nan 8.230 nan 0.000 0.470 842 V N 0.246 120.169 119.914 0.014 0.000 2.867 842 V HA 0.010 4.138 4.120 0.013 0.000 0.260 842 V C 0.948 176.957 176.094 -0.142 0.000 1.099 842 V CA 1.913 64.179 62.300 -0.057 0.000 1.122 842 V CB -0.725 31.045 31.823 -0.087 0.000 0.708 842 V HN 0.949 nan 8.190 nan 0.000 0.490 851 G N 2.349 111.032 108.800 -0.195 0.000 2.553 851 G HA2 -0.251 3.716 3.960 0.013 0.000 0.242 851 G HA3 -0.251 3.716 3.960 0.013 0.000 0.242 851 G C -0.160 174.704 174.900 -0.060 0.000 1.277 851 G CA 0.558 45.540 45.100 -0.197 0.000 0.910 851 G HN 2.026 nan 8.290 nan 0.000 0.576 852 F N 0.382 120.366 119.950 0.056 0.000 2.754 852 F HA 0.511 5.045 4.527 0.012 0.000 0.303 852 F C 1.468 177.455 175.800 0.311 0.000 1.196 852 F CA 0.714 58.800 58.000 0.144 0.000 1.416 852 F CB -0.490 38.597 39.000 0.146 0.000 1.092 852 F HN 0.489 nan 8.300 nan 0.000 0.541 853 L N -2.766 118.584 121.223 0.213 0.000 3.122 853 L HA 0.563 4.910 4.340 0.013 0.000 0.274 853 L C 0.454 177.468 176.870 0.241 0.000 1.222 853 L CA 0.109 55.205 54.840 0.427 0.000 1.028 853 L CB -0.761 41.412 42.059 0.190 0.000 1.386 853 L HN -0.016 nan 8.230 nan 0.000 0.578 854 N N -0.775 118.017 118.700 0.154 0.000 2.804 854 N HA 0.067 4.814 4.740 0.013 0.000 0.250 854 N C -0.211 175.362 175.510 0.105 0.000 1.024 854 N CA 0.123 53.236 53.050 0.105 0.000 0.995 854 N CB 0.528 39.043 38.487 0.047 0.000 1.690 854 N HN 0.259 nan 8.380 nan 0.000 0.515 855 D N 1.047 121.504 120.400 0.095 0.000 2.317 855 D HA 0.166 4.813 4.640 0.013 0.000 0.252 855 D C -1.740 174.623 176.300 0.106 0.000 1.174 855 D CA -1.874 52.176 54.000 0.083 0.000 0.866 855 D CB 1.573 42.408 40.800 0.059 0.000 1.127 855 D HN 0.076 nan 8.370 nan 0.000 0.467 856 P HA -0.119 nan 4.420 nan 0.000 0.216 856 P C 1.145 178.487 177.300 0.069 0.000 1.150 856 P CA 1.176 64.395 63.100 0.197 0.000 0.843 856 P CB 0.301 32.135 31.700 0.222 0.000 0.787 857 R N -0.715 119.769 120.500 -0.025 0.000 2.092 857 R HA -0.012 4.336 4.340 0.013 0.000 0.231 857 R C 2.442 178.652 176.300 -0.150 0.000 1.119 857 R CA 1.022 57.024 56.100 -0.163 0.000 0.970 857 R CB -0.381 29.868 30.300 -0.086 0.000 0.864 857 R HN 0.191 nan 8.270 nan 0.000 0.440 858 R N 0.369 120.855 120.500 -0.025 0.000 2.096 858 R HA -0.123 4.224 4.340 0.013 0.000 0.235 858 R C 2.220 178.547 176.300 0.045 0.000 1.127 858 R CA 1.030 57.157 56.100 0.045 0.000 0.968 858 R CB -0.358 30.023 30.300 0.136 0.000 0.861 858 R HN 0.103 nan 8.270 nan 0.000 0.440 859 L N 1.444 122.690 121.223 0.038 0.000 2.056 859 L HA -0.168 4.179 4.340 0.013 0.000 0.207 859 L C 1.889 178.656 176.870 -0.172 0.000 1.078 859 L CA 1.759 56.602 54.840 0.005 0.000 0.749 859 L CB -0.734 41.361 42.059 0.060 0.000 0.901 859 L HN 0.214 nan 8.230 nan 0.000 0.433 860 N N -0.872 117.510 118.700 -0.529 0.000 2.069 860 N HA -0.207 4.541 4.740 0.013 0.000 0.191 860 N C 1.777 177.108 175.510 -0.298 0.000 1.031 860 N CA 1.972 54.562 53.050 -0.768 0.000 0.852 860 N CB -0.000 37.675 38.487 -1.353 0.000 1.018 860 N HN 0.290 nan 8.380 nan 0.000 0.423 861 V N 1.521 121.302 119.914 -0.220 0.000 2.295 861 V HA -0.197 3.930 4.120 0.013 0.000 0.246 861 V C 2.567 178.599 176.094 -0.104 0.000 1.049 861 V CA 1.909 64.143 62.300 -0.110 0.000 1.024 861 V CB -0.972 30.817 31.823 -0.057 0.000 0.648 861 V HN 0.471 nan 8.190 nan 0.000 0.447 862 A N -0.481 122.258 122.820 -0.134 0.000 1.978 862 A HA -0.136 4.191 4.320 0.013 0.000 0.220 862 A C 2.040 179.502 177.584 -0.204 0.000 1.170 862 A CA 1.672 53.572 52.037 -0.228 0.000 0.636 862 A CB -0.483 18.272 19.000 -0.409 0.000 0.810 862 A HN 0.553 nan 8.150 nan 0.000 0.448 863 L N -0.255 120.892 121.223 -0.128 0.000 2.592 863 L HA 0.053 4.401 4.340 0.013 0.000 0.227 863 L C 1.334 178.196 176.870 -0.013 0.000 1.127 863 L CA 0.992 55.804 54.840 -0.047 0.000 0.884 863 L CB 0.053 42.139 42.059 0.045 0.000 1.065 863 L HN 0.535 nan 8.230 nan 0.000 0.457 864 T N -5.748 108.779 114.554 -0.045 0.000 3.231 864 T HA 0.195 4.553 4.350 0.013 0.000 0.292 864 T C 1.461 176.132 174.700 -0.047 0.000 1.001 864 T CA -0.546 61.537 62.100 -0.028 0.000 0.920 864 T CB 0.186 69.048 68.868 -0.010 0.000 1.140 864 T HN -0.025 nan 8.240 nan 0.000 0.525 865 R N 1.585 122.037 120.500 -0.080 0.000 2.200 865 R HA 0.454 4.801 4.340 0.013 0.000 0.208 865 R C 1.130 177.384 176.300 -0.077 0.000 1.033 865 R CA 0.393 56.442 56.100 -0.085 0.000 1.000 865 R CB -0.583 29.606 30.300 -0.185 0.000 0.906 865 R HN 0.565 nan 8.270 nan 0.000 0.462 866 A N 0.825 123.597 122.820 -0.080 0.000 2.316 866 A HA 0.396 4.724 4.320 0.013 0.000 0.284 866 A C 0.932 178.454 177.584 -0.103 0.000 1.115 866 A CA -0.355 51.635 52.037 -0.080 0.000 0.812 866 A CB 1.048 20.018 19.000 -0.049 0.000 1.064 866 A HN 0.113 nan 8.150 nan 0.000 0.489 867 R N 0.293 120.704 120.500 -0.149 0.000 2.087 867 R HA 0.116 4.464 4.340 0.013 0.000 0.213 867 R C 0.676 176.740 176.300 -0.394 0.000 1.137 867 R CA 1.188 57.133 56.100 -0.258 0.000 1.022 867 R CB -0.015 30.141 30.300 -0.241 0.000 0.920 867 R HN 0.871 nan 8.270 nan 0.000 0.451 868 Y N -1.360 118.731 120.300 -0.348 0.000 2.535 868 Y HA 0.391 4.949 4.550 0.013 0.000 0.266 868 Y C 0.703 176.521 175.900 -0.137 0.000 1.088 868 Y CA 0.268 58.180 58.100 -0.314 0.000 1.285 868 Y CB 1.566 39.644 38.460 -0.637 0.000 1.166 868 Y HN 0.078 nan 8.280 nan 0.000 0.525 869 G N -0.188 108.649 108.800 0.062 0.000 2.716 869 G HA2 0.438 4.405 3.960 0.013 0.000 0.299 869 G HA3 0.438 4.405 3.960 0.013 0.000 0.299 869 G C -2.283 172.801 174.900 0.307 0.000 1.450 869 G CA -0.531 44.744 45.100 0.293 0.000 0.968 869 G HN -0.114 nan 8.290 nan 0.000 0.566 870 V N 2.952 122.979 119.914 0.189 0.000 2.581 870 V HA 0.902 5.030 4.120 0.013 0.000 0.303 870 V C -0.678 175.495 176.094 0.132 0.000 1.041 870 V CA -1.084 61.298 62.300 0.136 0.000 0.907 870 V CB 1.531 33.402 31.823 0.081 0.000 0.994 870 V HN 1.000 nan 8.190 nan 0.000 0.442 871 I N 6.687 127.252 120.570 -0.008 0.000 2.534 871 I HA 0.560 4.737 4.170 0.013 0.000 0.286 871 I C -1.294 174.699 176.117 -0.207 0.000 1.094 871 I CA -0.464 60.693 61.300 -0.239 0.000 1.055 871 I CB 1.391 39.136 38.000 -0.425 0.000 1.225 871 I HN 0.641 nan 8.210 nan 0.000 0.435 872 I N 7.402 127.836 120.570 -0.228 0.000 2.392 872 I HA 0.453 4.630 4.170 0.013 0.000 0.295 872 I C -0.664 175.103 176.117 -0.583 0.000 0.985 872 I CA -0.927 60.179 61.300 -0.324 0.000 1.221 872 I CB 1.828 39.679 38.000 -0.248 0.000 1.366 872 I HN 0.259 nan 8.210 nan 0.000 0.467 873 V N 5.122 124.760 119.914 -0.461 0.000 2.380 873 V HA 0.819 4.947 4.120 0.013 0.000 0.286 873 V C 0.222 176.110 176.094 -0.344 0.000 1.015 873 V CA -0.270 61.822 62.300 -0.347 0.000 0.834 873 V CB 1.020 32.800 31.823 -0.071 0.000 1.009 873 V HN 1.005 nan 8.190 nan 0.000 0.428 874 G N 2.794 111.331 108.800 -0.439 0.000 2.600 874 G HA2 0.326 4.293 3.960 0.013 0.000 0.293 874 G HA3 0.326 4.293 3.960 0.013 0.000 0.293 874 G C -1.561 173.436 174.900 0.163 0.000 1.408 874 G CA -0.649 44.401 45.100 -0.084 0.000 0.782 874 G HN 0.408 nan 8.290 nan 0.000 0.482 875 N N 0.774 119.530 118.700 0.093 0.000 2.462 875 N HA 0.315 5.062 4.740 0.013 0.000 0.242 875 N C -1.677 173.850 175.510 0.029 0.000 1.010 875 N CA -1.683 51.402 53.050 0.058 0.000 0.939 875 N CB 2.244 40.718 38.487 -0.022 0.000 1.127 875 N HN -0.039 nan 8.380 nan 0.000 0.509 876 P HA -0.123 nan 4.420 nan 0.000 0.216 876 P C 1.111 178.352 177.300 -0.098 0.000 1.150 876 P CA 1.165 64.176 63.100 -0.149 0.000 0.837 876 P CB 0.475 32.063 31.700 -0.186 0.000 0.786 877 K N -0.163 120.201 120.400 -0.060 0.000 2.026 877 K HA -0.056 4.272 4.320 0.013 0.000 0.208 877 K C 2.122 178.693 176.600 -0.048 0.000 1.048 877 K CA 1.852 58.112 56.287 -0.046 0.000 0.929 877 K CB -1.402 31.076 32.500 -0.036 0.000 0.713 877 K HN 0.095 nan 8.250 nan 0.000 0.439 878 A N 1.249 124.032 122.820 -0.060 0.000 1.897 878 A HA -0.026 4.302 4.320 0.013 0.000 0.215 878 A C 2.346 179.879 177.584 -0.086 0.000 1.181 878 A CA 0.918 52.913 52.037 -0.071 0.000 0.620 878 A CB -0.586 18.363 19.000 -0.086 0.000 0.821 878 A HN 0.174 nan 8.150 nan 0.000 0.443 879 L N -0.116 121.032 121.223 -0.126 0.000 2.275 879 L HA -0.113 4.235 4.340 0.013 0.000 0.215 879 L C 2.547 179.403 176.870 -0.023 0.000 1.119 879 L CA 0.968 55.697 54.840 -0.185 0.000 0.790 879 L CB -0.313 41.515 42.059 -0.385 0.000 0.919 879 L HN 0.276 nan 8.230 nan 0.000 0.443 880 S N -0.291 115.406 115.700 -0.005 0.000 2.440 880 S HA -0.217 4.260 4.470 0.013 0.000 0.238 880 S C 1.972 176.611 174.600 0.064 0.000 1.010 880 S CA 1.115 59.343 58.200 0.048 0.000 0.972 880 S CB -0.182 63.026 63.200 0.013 0.000 0.774 880 S HN 0.357 nan 8.310 nan 0.000 0.501 881 K N 1.058 121.480 120.400 0.038 0.000 2.009 881 K HA -0.119 4.208 4.320 0.013 0.000 0.210 881 K C 0.239 176.885 176.600 0.076 0.000 1.049 881 K CA 0.996 57.306 56.287 0.040 0.000 0.929 881 K CB -0.096 32.412 32.500 0.013 0.000 0.714 881 K HN 0.298 nan 8.250 nan 0.000 0.440 882 Q N 0.881 120.753 119.800 0.121 0.000 2.289 882 Q HA 0.025 4.372 4.340 0.013 0.000 0.273 882 Q C -1.949 174.168 176.000 0.194 0.000 1.029 882 Q CA -1.469 54.444 55.803 0.184 0.000 0.896 882 Q CB 0.813 29.744 28.738 0.322 0.000 1.182 882 Q HN 0.171 nan 8.270 nan 0.000 0.385 883 P HA -0.170 nan 4.420 nan 0.000 0.215 883 P C 1.167 178.549 177.300 0.136 0.000 1.157 883 P CA 0.973 64.134 63.100 0.103 0.000 0.868 883 P CB 0.186 31.916 31.700 0.049 0.000 0.788 884 L N -2.799 118.503 121.223 0.131 0.000 2.081 884 L HA -0.149 4.199 4.340 0.013 0.000 0.212 884 L C 2.439 179.382 176.870 0.122 0.000 1.080 884 L CA 1.783 56.687 54.840 0.106 0.000 0.754 884 L CB -1.422 40.663 42.059 0.045 0.000 0.893 884 L HN 0.017 nan 8.230 nan 0.000 0.433 885 W N -0.549 120.837 121.300 0.144 0.000 2.418 885 W HA -0.089 4.579 4.660 0.014 0.000 0.292 885 W C 2.723 179.271 176.519 0.049 0.000 1.213 885 W CA 0.930 58.331 57.345 0.093 0.000 1.283 885 W CB -0.289 29.218 29.460 0.078 0.000 1.119 885 W HN 0.180 nan 8.180 nan 0.000 0.542 886 N N -0.488 118.389 118.700 0.294 0.000 2.166 886 N HA -0.249 4.499 4.740 0.013 0.000 0.186 886 N C 1.684 177.328 175.510 0.224 0.000 1.019 886 N CA 1.483 54.648 53.050 0.192 0.000 0.856 886 N CB -0.528 38.046 38.487 0.144 0.000 0.993 886 N HN 0.359 nan 8.380 nan 0.000 0.426 887 H N 0.514 119.663 119.070 0.133 0.000 2.326 887 H HA -0.070 4.493 4.556 0.012 0.000 0.301 887 H C 2.258 177.727 175.328 0.235 0.000 1.081 887 H CA 0.654 56.805 56.048 0.172 0.000 1.334 887 H CB 0.058 29.916 29.762 0.160 0.000 1.385 887 H HN 0.153 nan 8.280 nan 0.000 0.504 888 L N 1.249 122.559 121.223 0.146 0.000 2.042 888 L HA -0.197 4.151 4.340 0.013 0.000 0.210 888 L C 2.196 179.042 176.870 -0.041 0.000 1.076 888 L CA 1.394 56.089 54.840 -0.242 0.000 0.749 888 L CB -0.794 40.950 42.059 -0.524 0.000 0.893 888 L HN 0.376 nan 8.230 nan 0.000 0.432 889 L N -0.440 120.790 121.223 0.013 0.000 2.072 889 L HA -0.197 4.151 4.340 0.013 0.000 0.205 889 L C 2.405 179.301 176.870 0.044 0.000 1.079 889 L CA 1.076 55.877 54.840 -0.064 0.000 0.752 889 L CB -0.620 41.353 42.059 -0.144 0.000 0.906 889 L HN 0.340 nan 8.230 nan 0.000 0.436 890 N N -0.694 118.061 118.700 0.093 0.000 2.223 890 N HA -0.244 4.504 4.740 0.013 0.000 0.185 890 N C 1.830 177.421 175.510 0.134 0.000 1.016 890 N CA 1.379 54.495 53.050 0.110 0.000 0.863 890 N CB -0.037 38.537 38.487 0.145 0.000 0.983 890 N HN 0.330 nan 8.380 nan 0.000 0.429 891 Y N 0.512 120.844 120.300 0.053 0.000 2.220 891 Y HA -0.146 4.412 4.550 0.014 0.000 0.291 891 Y C 1.830 177.793 175.900 0.105 0.000 1.129 891 Y CA 1.190 59.328 58.100 0.063 0.000 1.161 891 Y CB -0.547 37.964 38.460 0.085 0.000 0.997 891 Y HN -0.037 nan 8.280 nan 0.000 0.522 892 Y N 0.897 121.125 120.300 -0.121 0.000 2.333 892 Y HA -0.183 4.374 4.550 0.012 0.000 0.290 892 Y C 2.555 178.384 175.900 -0.118 0.000 1.144 892 Y CA 1.829 59.848 58.100 -0.136 0.000 1.228 892 Y CB -0.422 38.061 38.460 0.038 0.000 0.985 892 Y HN 0.149 nan 8.280 nan 0.000 0.542 893 K N 0.357 120.788 120.400 0.052 0.000 2.062 893 K HA -0.161 4.167 4.320 0.013 0.000 0.205 893 K C 1.813 178.388 176.600 -0.043 0.000 1.051 893 K CA 1.511 57.809 56.287 0.017 0.000 0.941 893 K CB -0.023 32.492 32.500 0.026 0.000 0.719 893 K HN 0.314 nan 8.250 nan 0.000 0.440 894 E N 0.059 120.205 120.200 -0.091 0.000 2.077 894 E HA -0.180 4.177 4.350 0.013 0.000 0.193 894 E C 1.897 178.405 176.600 -0.153 0.000 0.989 894 E CA 0.955 57.293 56.400 -0.103 0.000 0.800 894 E CB 0.119 29.764 29.700 -0.092 0.000 0.746 894 E HN 0.290 nan 8.360 nan 0.000 0.452 895 Q N 0.315 119.944 119.800 -0.285 0.000 2.472 895 Q HA -0.000 4.347 4.340 0.013 0.000 0.208 895 Q C -0.077 175.837 176.000 -0.144 0.000 0.958 895 Q CA 0.449 56.093 55.803 -0.264 0.000 0.932 895 Q CB 0.147 28.613 28.738 -0.454 0.000 1.007 895 Q HN 0.232 nan 8.270 nan 0.000 0.508 896 K N -0.440 119.905 120.400 -0.090 0.000 3.203 896 K HA -0.099 4.228 4.320 0.013 0.000 0.270 896 K C 0.077 176.692 176.600 0.025 0.000 1.132 896 K CA 0.632 56.906 56.287 -0.021 0.000 0.794 896 K CB -2.398 30.090 32.500 -0.020 0.000 1.270 896 K HN 0.206 nan 8.250 nan 0.000 0.491 897 V N -2.660 117.297 119.914 0.071 0.000 3.111 897 V HA 0.231 4.358 4.120 0.013 0.000 0.343 897 V C 0.081 176.414 176.094 0.399 0.000 1.417 897 V CA -0.431 61.997 62.300 0.213 0.000 1.142 897 V CB 0.746 32.678 31.823 0.182 0.000 1.114 897 V HN 0.225 nan 8.190 nan 0.000 0.520 898 L N 3.724 125.120 121.223 0.289 0.000 2.536 898 L HA 0.555 4.902 4.340 0.013 0.000 0.242 898 L C 0.286 177.293 176.870 0.229 0.000 1.280 898 L CA -0.367 54.656 54.840 0.305 0.000 1.221 898 L CB 0.230 42.386 42.059 0.160 0.000 1.449 898 L HN 0.380 nan 8.230 nan 0.000 0.405 899 V N 0.115 120.197 119.914 0.280 0.000 3.214 899 V HA 0.650 4.778 4.120 0.013 0.000 0.306 899 V C -0.040 176.127 176.094 0.123 0.000 1.078 899 V CA -0.579 61.815 62.300 0.158 0.000 1.077 899 V CB 1.502 33.367 31.823 0.071 0.000 1.121 899 V HN 0.683 nan 8.190 nan 0.000 0.468 900 E N -0.540 119.687 120.200 0.045 0.000 2.412 900 E HA 0.592 4.949 4.350 0.013 0.000 0.279 900 E C -0.331 176.275 176.600 0.010 0.000 0.984 900 E CA -0.026 56.342 56.400 -0.053 0.000 0.788 900 E CB 2.041 31.707 29.700 -0.055 0.000 1.277 900 E HN 1.752 nan 8.360 nan 0.000 0.455 901 G N 1.825 110.623 108.800 -0.002 0.000 2.483 901 G HA2 -0.105 3.862 3.960 0.013 0.000 0.521 901 G HA3 -0.105 3.862 3.960 0.013 0.000 0.521 901 G C -2.801 172.206 174.900 0.179 0.000 1.278 901 G CA -0.805 44.334 45.100 0.063 0.000 0.965 901 G HN 0.445 nan 8.290 nan 0.000 0.504 902 P HA 0.268 nan 4.420 nan 0.000 0.266 902 P C 1.212 178.549 177.300 0.061 0.000 1.195 902 P CA -0.484 62.674 63.100 0.096 0.000 0.768 902 P CB 0.579 32.300 31.700 0.035 0.000 0.838 903 L N 3.925 125.154 121.223 0.010 0.000 2.042 903 L HA -0.216 4.132 4.340 0.013 0.000 0.210 903 L C 1.359 178.135 176.870 -0.157 0.000 1.076 903 L CA 2.093 56.868 54.840 -0.109 0.000 0.749 903 L CB -1.194 40.773 42.059 -0.153 0.000 0.893 903 L HN 0.367 nan 8.230 nan 0.000 0.432 904 N N -1.255 117.374 118.700 -0.119 0.000 2.457 904 N HA -0.064 4.684 4.740 0.013 0.000 0.180 904 N C 0.441 175.876 175.510 -0.126 0.000 1.050 904 N CA 0.686 53.651 53.050 -0.141 0.000 0.906 904 N CB -0.103 38.323 38.487 -0.102 0.000 0.968 904 N HN 0.381 nan 8.380 nan 0.000 0.445 905 N N 0.305 118.951 118.700 -0.090 0.000 2.765 905 N HA 0.168 4.915 4.740 0.013 0.000 0.277 905 N C -1.420 174.052 175.510 -0.064 0.000 1.750 905 N CA -0.323 52.682 53.050 -0.075 0.000 0.827 905 N CB 0.210 38.668 38.487 -0.048 0.000 1.200 905 N HN -0.071 nan 8.380 nan 0.000 0.494 906 L N 1.696 122.858 121.223 -0.102 0.000 2.439 906 L HA 0.344 4.692 4.340 0.013 0.000 0.269 906 L C 0.835 177.663 176.870 -0.069 0.000 1.179 906 L CA 0.727 55.513 54.840 -0.090 0.000 0.828 906 L CB 0.681 42.616 42.059 -0.206 0.000 1.106 906 L HN 0.455 nan 8.230 nan 0.000 0.467 907 R N 1.566 122.045 120.500 -0.035 0.000 2.720 907 R HA 0.564 4.912 4.340 0.013 0.000 0.100 907 R C -0.896 175.398 176.300 -0.010 0.000 1.008 907 R CA -0.780 55.306 56.100 -0.023 0.000 0.823 907 R CB 0.397 30.690 30.300 -0.013 0.000 0.714 907 R HN 0.564 nan 8.270 nan 0.000 0.365 908 E N 0.971 121.173 120.200 0.004 0.000 2.531 908 E HA 0.133 4.491 4.350 0.013 0.000 0.323 908 E C -1.600 175.009 176.600 0.016 0.000 0.908 908 E CA -0.180 56.230 56.400 0.018 0.000 0.792 908 E CB 1.686 31.393 29.700 0.012 0.000 1.360 908 E HN 0.356 nan 8.360 nan 0.000 0.394 909 S N 3.804 119.519 115.700 0.026 0.000 2.576 909 S HA 0.300 4.778 4.470 0.013 0.000 0.272 909 S C 0.039 174.644 174.600 0.008 0.000 1.352 909 S CA -0.021 58.186 58.200 0.013 0.000 1.021 909 S CB 0.363 63.573 63.200 0.017 0.000 0.887 909 S HN 0.548 nan 8.310 nan 0.000 0.542 910 L N 3.375 124.598 121.223 0.000 0.000 2.574 910 L HA 0.301 4.649 4.340 0.013 0.000 0.258 910 L C 0.010 176.876 176.870 -0.006 0.000 1.520 910 L CA -0.136 54.703 54.840 -0.001 0.000 0.775 910 L CB 0.372 42.431 42.059 -0.001 0.000 1.028 910 L HN 0.646 nan 8.230 nan 0.000 0.516 911 M N 0.000 119.594 119.600 -0.011 0.000 2.572 911 M HA 0.000 4.488 4.480 0.013 0.000 0.227 911 M CA 0.000 55.291 55.300 -0.016 0.000 0.988 911 M CB 0.000 32.584 32.600 -0.027 0.000 1.302 911 M HN 0.000 nan 8.290 nan 0.000 0.411