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 2nup_1_B DATA FIRST_RESID 346 DATA SEQUENCE EGLRVVNLLQ ERNMLPSTPL KPPVPNLHED IQKLNCNPEL FRCTLTSIPQ DATA SEQUENCE TQALLNKAKL PLGLLLHPFK DLVQLPVVTS STIVRCRSCR TYINPFVSFL DATA SEQUENCE DQRRWKCNLC YRVNDVPEEF LXXXXXXXXX EPHRRPEVQN ATIEFMAPSE DATA SEQUENCE YMLRPPQPPV YLFVFDVSHN AVETGYLNSV CQSLLDNLDL LPGNTRTKIG DATA SEQUENCE FITFDSTIHF YGLQESLSQP QMLIVSDIED VFIPMPENLL VNLNESKELV DATA SEQUENCE QDLLKTLPQM FTKTLETQSA LGPALQAAFK LMSPTGGRMS VFQTQLPTLG DATA SEQUENCE VGALKPREEP NHRSSAKXXX MTPSTDFYKK LALDCSGQQV AVDLFLLSGQ DATA SEQUENCE YSDLASLGCI SRYSAGSVYY YPSYHHQHNP VQVQKLQKEL QRYLTRKIGF DATA SEQUENCE EAVMRIRCTK GLSIHTFHGN FFVRSTDLLS LPNVNPDAGY AVQMSVEESL DATA SEQUENCE TDTQLVSFQS ALLYTSSKGE RRIRVHTLCL PVVSTLNDVF LGADVQAISG DATA SEQUENCE LLANMAVDRS MTASLSDARD ALVNAVIDSL SAYRSSVXXX XXPGLMVPFS DATA SEQUENCE LRLFPLFVLA LLKQKSFQTG TNARLDERIF AMCQVKNQPL VYLMLTTHPS DATA SEQUENCE LYRVDNLSDE GALNISDRTI PQPPILQLSV EKLSRDGAFL MDAGSVLMLW DATA SEQUENCE VGKNCTQNFL SQVLGVQNYA SIPQPMTDLP ELDTPESARI IAFISWLREQ DATA SEQUENCE RPFFPILYVI RDESPMKANF LQNMIEDRTE SALSYYEFLL HIQQQVNK 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 346 E HA 0.000 nan 4.350 nan 0.000 0.291 346 E C 0.000 176.395 176.600 -0.342 0.000 1.382 346 E CA 0.000 56.313 56.400 -0.144 0.000 0.976 346 E CB 0.000 29.657 29.700 -0.072 0.000 0.812 347 G N 0.562 109.171 108.800 -0.318 0.000 2.158 347 G HA2 0.306 4.267 3.960 0.002 0.000 0.238 347 G HA3 0.306 4.267 3.960 0.002 0.000 0.238 347 G C -1.533 173.230 174.900 -0.228 0.000 1.723 347 G CA -0.801 44.073 45.100 -0.375 0.000 0.911 347 G HN 0.319 nan 8.290 nan 0.000 0.741 348 L N 2.958 124.120 121.223 -0.101 0.000 2.978 348 L HA 0.512 4.853 4.340 0.002 0.000 0.239 348 L C 1.142 178.018 176.870 0.009 0.000 1.293 348 L CA -0.816 54.022 54.840 -0.003 0.000 1.085 348 L CB -0.592 41.474 42.059 0.012 0.000 1.432 348 L HN 0.609 nan 8.230 nan 0.000 0.512 349 R N -0.752 119.733 120.500 -0.026 0.000 2.486 349 R HA 0.630 4.971 4.340 0.002 0.000 0.286 349 R C -0.924 175.439 176.300 0.106 0.000 0.999 349 R CA -0.805 55.305 56.100 0.016 0.000 0.993 349 R CB 1.054 31.327 30.300 -0.044 0.000 1.084 349 R HN 0.040 nan 8.270 nan 0.000 0.487 350 V N 2.315 122.289 119.914 0.101 0.000 2.904 350 V HA 0.326 4.448 4.120 0.002 0.000 0.305 350 V C 0.049 176.210 176.094 0.111 0.000 1.067 350 V CA -0.566 61.809 62.300 0.125 0.000 1.044 350 V CB 1.671 33.570 31.823 0.126 0.000 1.050 350 V HN 0.590 nan 8.190 nan 0.000 0.475 351 V N 2.262 122.234 119.914 0.097 0.000 2.876 351 V HA 0.464 4.585 4.120 0.002 0.000 0.312 351 V C -0.390 175.739 176.094 0.058 0.000 1.085 351 V CA -0.884 61.467 62.300 0.085 0.000 0.945 351 V CB 2.259 34.138 31.823 0.093 0.000 1.017 351 V HN 0.864 nan 8.190 nan 0.000 0.428 352 N N 2.804 121.537 118.700 0.054 0.000 2.558 352 N HA 0.350 5.091 4.740 0.002 0.000 0.242 352 N C 0.695 176.234 175.510 0.048 0.000 0.979 352 N CA -0.305 52.770 53.050 0.043 0.000 0.931 352 N CB 1.450 39.961 38.487 0.039 0.000 1.122 352 N HN 0.694 nan 8.380 nan 0.000 0.508 353 L N 2.854 124.101 121.223 0.039 0.000 2.349 353 L HA -0.128 4.213 4.340 0.002 0.000 0.220 353 L C 1.801 178.716 176.870 0.076 0.000 1.130 353 L CA 0.970 55.846 54.840 0.059 0.000 0.791 353 L CB 0.030 42.108 42.059 0.032 0.000 0.918 353 L HN 0.544 nan 8.230 nan 0.000 0.444 354 L N -1.414 119.844 121.223 0.057 0.000 2.270 354 L HA -0.094 4.247 4.340 0.002 0.000 0.210 354 L C 2.528 179.468 176.870 0.116 0.000 1.104 354 L CA 0.479 55.380 54.840 0.103 0.000 0.804 354 L CB -0.229 41.868 42.059 0.065 0.000 0.937 354 L HN 0.289 nan 8.230 nan 0.000 0.450 355 Q N -0.367 119.480 119.800 0.078 0.000 2.226 355 Q HA -0.037 4.304 4.340 0.002 0.000 0.199 355 Q C 2.020 178.057 176.000 0.062 0.000 0.945 355 Q CA 0.684 56.524 55.803 0.062 0.000 0.861 355 Q CB 0.080 28.846 28.738 0.046 0.000 0.953 355 Q HN 0.430 nan 8.270 nan 0.000 0.490 356 E N 1.290 121.532 120.200 0.070 0.000 2.005 356 E HA -0.186 4.166 4.350 0.002 0.000 0.198 356 E C 0.850 177.496 176.600 0.077 0.000 1.010 356 E CA 0.618 57.058 56.400 0.068 0.000 0.825 356 E CB -0.332 29.410 29.700 0.070 0.000 0.769 356 E HN 0.259 nan 8.360 nan 0.000 0.456 357 R N 0.375 120.948 120.500 0.123 0.000 3.847 357 R HA -0.186 4.155 4.340 0.002 0.000 0.304 357 R C -0.334 176.019 176.300 0.089 0.000 1.203 357 R CA 0.895 57.098 56.100 0.172 0.000 0.835 357 R CB -0.981 29.406 30.300 0.144 0.000 1.253 357 R HN 0.166 nan 8.270 nan 0.000 0.516 358 N N -0.823 117.904 118.700 0.046 0.000 2.453 358 N HA 0.025 4.766 4.740 0.002 0.000 0.267 358 N C 0.330 175.838 175.510 -0.004 0.000 1.482 358 N CA 0.437 53.492 53.050 0.007 0.000 0.841 358 N CB 0.398 38.894 38.487 0.014 0.000 1.408 358 N HN 0.095 nan 8.380 nan 0.000 0.490 359 M N -0.716 118.874 119.600 -0.017 0.000 2.159 359 M HA 0.005 4.486 4.480 0.002 0.000 0.263 359 M C 0.945 177.201 176.300 -0.072 0.000 1.063 359 M CA 1.081 56.357 55.300 -0.039 0.000 1.110 359 M CB -0.727 31.835 32.600 -0.062 0.000 1.374 359 M HN 0.075 nan 8.290 nan 0.000 0.411 360 L N 4.141 125.303 121.223 -0.101 0.000 2.540 360 L HA 0.167 4.508 4.340 0.002 0.000 0.276 360 L C -2.087 174.767 176.870 -0.026 0.000 1.212 360 L CA -1.166 53.622 54.840 -0.088 0.000 0.893 360 L CB -0.148 41.864 42.059 -0.079 0.000 1.138 360 L HN 0.121 nan 8.230 nan 0.000 0.491 361 P HA 0.129 nan 4.420 nan 0.000 0.278 361 P C 0.013 177.344 177.300 0.050 0.000 1.238 361 P CA -0.346 62.775 63.100 0.033 0.000 0.794 361 P CB 1.189 32.917 31.700 0.046 0.000 0.955 362 S N 0.761 116.499 115.700 0.064 0.000 2.453 362 S HA -0.018 4.453 4.470 0.002 0.000 0.231 362 S C 0.928 175.598 174.600 0.118 0.000 1.005 362 S CA 0.731 58.980 58.200 0.081 0.000 0.949 362 S CB -1.037 62.208 63.200 0.074 0.000 0.774 362 S HN 0.700 nan 8.310 nan 0.000 0.510 363 T N -0.578 114.045 114.554 0.115 0.000 2.940 363 T HA 0.671 5.022 4.350 0.002 0.000 0.288 363 T C -3.205 171.580 174.700 0.142 0.000 1.033 363 T CA -2.384 59.803 62.100 0.145 0.000 1.033 363 T CB 0.894 69.835 68.868 0.122 0.000 1.079 363 T HN -0.087 nan 8.240 nan 0.000 0.496 364 P HA 0.111 nan 4.420 nan 0.000 0.266 364 P C -0.331 177.028 177.300 0.099 0.000 1.186 364 P CA -0.202 62.984 63.100 0.143 0.000 0.767 364 P CB 0.294 32.095 31.700 0.168 0.000 0.820 365 L N 2.529 123.794 121.223 0.070 0.000 2.436 365 L HA 0.260 4.601 4.340 0.002 0.000 0.265 365 L C 0.936 177.835 176.870 0.048 0.000 1.168 365 L CA 0.062 54.934 54.840 0.055 0.000 0.815 365 L CB 0.305 42.389 42.059 0.042 0.000 1.109 365 L HN 0.314 nan 8.230 nan 0.000 0.462 366 K N 2.755 123.184 120.400 0.049 0.000 2.316 366 K HA 0.447 4.768 4.320 0.002 0.000 0.251 366 K C -2.278 174.341 176.600 0.032 0.000 0.934 366 K CA -1.666 54.647 56.287 0.043 0.000 0.802 366 K CB 1.784 34.317 32.500 0.055 0.000 1.171 366 K HN 0.386 nan 8.250 nan 0.000 0.426 367 P HA 0.105 nan 4.420 nan 0.000 0.267 367 P C -2.585 174.727 177.300 0.021 0.000 1.200 367 P CA -0.873 62.234 63.100 0.012 0.000 0.772 367 P CB -0.256 31.447 31.700 0.006 0.000 0.855 368 P HA 0.055 nan 4.420 nan 0.000 0.269 368 P C -0.657 176.655 177.300 0.019 0.000 1.217 368 P CA 0.003 63.117 63.100 0.022 0.000 0.783 368 P CB 0.314 32.021 31.700 0.010 0.000 0.898 369 V N 3.851 123.780 119.914 0.025 0.000 2.334 369 V HA 0.252 4.373 4.120 0.002 0.000 0.281 369 V C -2.058 174.044 176.094 0.014 0.000 1.016 369 V CA -1.771 60.541 62.300 0.020 0.000 0.832 369 V CB 0.796 32.635 31.823 0.026 0.000 0.999 369 V HN 0.566 nan 8.190 nan 0.000 0.439 370 P HA -0.026 nan 4.420 nan 0.000 0.263 370 P C -0.040 177.264 177.300 0.007 0.000 1.175 370 P CA 0.122 63.220 63.100 -0.003 0.000 0.761 370 P CB 0.267 31.953 31.700 -0.024 0.000 0.794 371 N N 3.440 122.148 118.700 0.013 0.000 2.671 371 N HA 0.121 4.863 4.740 0.002 0.000 0.274 371 N C -1.001 174.525 175.510 0.026 0.000 1.188 371 N CA 0.390 53.453 53.050 0.022 0.000 1.065 371 N CB -0.800 37.703 38.487 0.026 0.000 1.415 371 N HN 0.292 nan 8.380 nan 0.000 0.511 372 L N 0.980 122.222 121.223 0.030 0.000 2.333 372 L HA 0.370 4.711 4.340 0.002 0.000 0.263 372 L C 0.174 177.094 176.870 0.084 0.000 1.014 372 L CA -1.434 53.438 54.840 0.053 0.000 0.820 372 L CB 1.279 43.357 42.059 0.031 0.000 1.352 372 L HN 0.389 nan 8.230 nan 0.000 0.421 373 H N 0.710 119.797 119.070 0.027 0.000 3.016 373 H HA -0.089 4.469 4.556 0.002 0.000 0.345 373 H C 0.910 176.265 175.328 0.044 0.000 1.066 373 H CA 1.025 57.094 56.048 0.035 0.000 1.390 373 H CB 0.731 30.517 29.762 0.040 0.000 1.344 373 H HN 0.616 nan 8.280 nan 0.000 0.605 374 E N 2.122 121.972 120.200 -0.582 0.000 2.048 374 E HA -0.290 4.061 4.350 0.002 0.000 0.202 374 E C 1.242 177.714 176.600 -0.213 0.000 1.021 374 E CA 1.944 58.124 56.400 -0.366 0.000 0.825 374 E CB 0.084 29.548 29.700 -0.392 0.000 0.756 374 E HN 0.775 nan 8.360 nan 0.000 0.454 375 D N 0.004 120.256 120.400 -0.248 0.000 2.149 375 D HA -0.169 4.472 4.640 0.002 0.000 0.198 375 D C 2.021 178.398 176.300 0.127 0.000 0.990 375 D CA 1.004 55.024 54.000 0.033 0.000 0.839 375 D CB -0.195 40.709 40.800 0.172 0.000 0.948 375 D HN 0.332 nan 8.370 nan 0.000 0.460 376 I N 0.331 121.012 120.570 0.185 0.000 2.233 376 I HA -0.234 3.937 4.170 0.002 0.000 0.243 376 I C 2.471 178.724 176.117 0.227 0.000 1.093 376 I CA 0.628 62.084 61.300 0.260 0.000 1.380 376 I CB -0.242 37.908 38.000 0.250 0.000 1.067 376 I HN -0.098 nan 8.210 nan 0.000 0.413 377 Q N 2.396 122.267 119.800 0.118 0.000 2.152 377 Q HA -0.243 4.098 4.340 0.002 0.000 0.206 377 Q C 1.953 178.015 176.000 0.104 0.000 0.985 377 Q CA 2.024 57.878 55.803 0.085 0.000 0.863 377 Q CB -0.405 28.354 28.738 0.035 0.000 0.904 377 Q HN 0.617 nan 8.270 nan 0.000 0.422 378 K N -0.925 119.527 120.400 0.087 0.000 2.442 378 K HA -0.058 4.263 4.320 0.002 0.000 0.198 378 K C 1.279 177.942 176.600 0.105 0.000 1.042 378 K CA 1.089 57.422 56.287 0.077 0.000 0.958 378 K CB -0.027 32.501 32.500 0.047 0.000 0.766 378 K HN 0.275 nan 8.250 nan 0.000 0.474 379 L N 0.291 121.613 121.223 0.166 0.000 2.731 379 L HA 0.173 4.514 4.340 0.002 0.000 0.240 379 L C 0.341 177.393 176.870 0.303 0.000 1.120 379 L CA -0.604 54.333 54.840 0.162 0.000 0.913 379 L CB -0.100 42.009 42.059 0.084 0.000 1.213 379 L HN 0.159 nan 8.230 nan 0.000 0.515 380 N N 0.615 119.527 118.700 0.353 0.000 2.395 380 N HA -0.065 4.676 4.740 0.002 0.000 0.246 380 N C 0.043 175.712 175.510 0.266 0.000 1.246 380 N CA 0.095 53.362 53.050 0.361 0.000 0.879 380 N CB 0.667 39.236 38.487 0.137 0.000 1.098 380 N HN 0.110 nan 8.380 nan 0.000 0.444 381 C N 2.748 122.214 119.300 0.276 0.000 2.741 381 C HA 0.047 4.509 4.460 0.002 0.000 0.403 381 C C 1.019 176.097 174.990 0.147 0.000 1.282 381 C CA -0.544 58.614 59.018 0.233 0.000 2.053 381 C CB -0.854 27.059 27.740 0.287 0.000 2.731 381 C HN 0.814 nan 8.230 nan 0.000 0.680 382 N N 3.837 122.607 118.700 0.117 0.000 2.475 382 N HA 0.191 4.933 4.740 0.002 0.000 0.267 382 N C -1.185 174.364 175.510 0.065 0.000 1.169 382 N CA -1.070 52.022 53.050 0.071 0.000 0.947 382 N CB 1.077 39.588 38.487 0.041 0.000 1.061 382 N HN 0.546 nan 8.380 nan 0.000 0.466 383 P HA -0.175 nan 4.420 nan 0.000 0.221 383 P C 0.194 177.519 177.300 0.042 0.000 1.145 383 P CA 1.342 64.471 63.100 0.048 0.000 0.795 383 P CB 0.244 31.961 31.700 0.028 0.000 0.775 384 E N -0.526 119.688 120.200 0.024 0.000 2.274 384 E HA -0.034 4.318 4.350 0.002 0.000 0.194 384 E C 2.028 178.643 176.600 0.024 0.000 0.996 384 E CA 0.667 57.075 56.400 0.014 0.000 0.840 384 E CB -0.200 29.498 29.700 -0.003 0.000 0.772 384 E HN 0.337 nan 8.360 nan 0.000 0.491 385 L N -0.822 120.395 121.223 -0.010 0.000 2.316 385 L HA 0.174 4.515 4.340 0.002 0.000 0.207 385 L C 0.381 177.248 176.870 -0.006 0.000 1.070 385 L CA 0.169 54.947 54.840 -0.103 0.000 0.820 385 L CB 0.406 42.268 42.059 -0.329 0.000 0.992 385 L HN 0.006 nan 8.230 nan 0.000 0.466 386 F N 1.142 121.049 119.950 -0.072 0.000 2.588 386 F HA 0.568 5.096 4.527 0.002 0.000 0.314 386 F C -0.449 175.341 175.800 -0.016 0.000 1.134 386 F CA -1.378 56.609 58.000 -0.022 0.000 0.961 386 F CB 1.513 40.522 39.000 0.015 0.000 1.239 386 F HN -0.012 nan 8.300 nan 0.000 0.448 387 R N 3.399 124.099 120.500 0.334 0.000 2.692 387 R HA 0.748 5.089 4.340 0.002 0.000 0.269 387 R C -2.246 174.026 176.300 -0.046 0.000 1.030 387 R CA -0.739 55.389 56.100 0.046 0.000 0.882 387 R CB 1.366 31.686 30.300 0.035 0.000 1.250 387 R HN 0.699 nan 8.270 nan 0.000 0.465 388 C N 1.955 121.179 119.300 -0.127 0.000 2.456 388 C HA 0.482 4.943 4.460 0.002 0.000 0.325 388 C C 1.915 176.832 174.990 -0.120 0.000 1.217 388 C CA 0.298 59.209 59.018 -0.178 0.000 1.687 388 C CB 1.743 29.330 27.740 -0.256 0.000 2.270 388 C HN 1.004 nan 8.230 nan 0.000 0.499 389 T N 2.075 116.555 114.554 -0.124 0.000 2.833 389 T HA 0.006 4.357 4.350 0.002 0.000 0.269 389 T C 0.378 175.009 174.700 -0.115 0.000 1.054 389 T CA 1.139 63.173 62.100 -0.110 0.000 1.135 389 T CB -0.237 68.566 68.868 -0.109 0.000 0.869 389 T HN 0.602 nan 8.240 nan 0.000 0.466 390 L N 2.479 123.634 121.223 -0.113 0.000 2.401 390 L HA 0.376 4.718 4.340 0.002 0.000 0.263 390 L C 1.561 178.388 176.870 -0.071 0.000 1.004 390 L CA -0.494 54.287 54.840 -0.097 0.000 0.881 390 L CB 1.691 43.688 42.059 -0.103 0.000 1.219 390 L HN 0.200 nan 8.230 nan 0.000 0.441 391 T N -2.630 111.891 114.554 -0.055 0.000 2.977 391 T HA -0.050 4.301 4.350 0.002 0.000 0.271 391 T C 0.820 175.510 174.700 -0.016 0.000 1.105 391 T CA 0.630 62.709 62.100 -0.035 0.000 1.116 391 T CB -0.044 68.809 68.868 -0.024 0.000 0.878 391 T HN 0.358 nan 8.240 nan 0.000 0.509 392 S N 2.395 118.084 115.700 -0.018 0.000 2.528 392 S HA 0.490 4.961 4.470 0.002 0.000 0.303 392 S C -0.121 174.472 174.600 -0.012 0.000 1.123 392 S CA -0.848 57.347 58.200 -0.007 0.000 1.138 392 S CB 0.332 63.532 63.200 -0.001 0.000 0.984 392 S HN 0.301 nan 8.310 nan 0.000 0.474 393 I N 4.537 125.114 120.570 0.011 0.000 2.587 393 I HA 0.152 4.323 4.170 0.002 0.000 0.284 393 I C -2.309 173.813 176.117 0.009 0.000 1.134 393 I CA -2.515 58.799 61.300 0.023 0.000 1.410 393 I CB -0.449 37.597 38.000 0.076 0.000 1.392 393 I HN 0.207 nan 8.210 nan 0.000 0.545 394 P HA 0.024 nan 4.420 nan 0.000 0.266 394 P C 0.696 177.999 177.300 0.006 0.000 1.215 394 P CA 0.011 63.104 63.100 -0.012 0.000 0.763 394 P CB 0.450 32.132 31.700 -0.029 0.000 0.806 395 Q N 2.898 122.703 119.800 0.007 0.000 2.181 395 Q HA -0.122 4.220 4.340 0.002 0.000 0.205 395 Q C 0.298 176.306 176.000 0.014 0.000 0.980 395 Q CA 1.373 57.184 55.803 0.013 0.000 0.862 395 Q CB 0.118 28.861 28.738 0.010 0.000 0.905 395 Q HN 0.585 nan 8.270 nan 0.000 0.429 396 T N -3.976 110.583 114.554 0.009 0.000 2.903 396 T HA 0.220 4.571 4.350 0.002 0.000 0.299 396 T C 0.218 174.921 174.700 0.005 0.000 1.093 396 T CA -0.713 61.392 62.100 0.008 0.000 1.002 396 T CB 1.693 70.564 68.868 0.006 0.000 1.127 396 T HN 0.033 nan 8.240 nan 0.000 0.488 397 Q N 1.675 121.479 119.800 0.006 0.000 2.135 397 Q HA 0.006 4.348 4.340 0.002 0.000 0.204 397 Q C 2.274 178.273 176.000 -0.002 0.000 0.981 397 Q CA 2.527 58.332 55.803 0.002 0.000 0.856 397 Q CB -0.948 27.790 28.738 0.001 0.000 0.902 397 Q HN 0.932 nan 8.270 nan 0.000 0.425 398 A N 0.122 122.942 122.820 -0.000 0.000 1.865 398 A HA -0.174 4.148 4.320 0.002 0.000 0.217 398 A C 1.992 179.575 177.584 -0.001 0.000 1.191 398 A CA 1.604 53.641 52.037 0.001 0.000 0.623 398 A CB -0.984 18.018 19.000 0.003 0.000 0.826 398 A HN 0.483 nan 8.150 nan 0.000 0.444 399 L N -0.737 120.485 121.223 -0.002 0.000 2.083 399 L HA -0.115 4.226 4.340 0.002 0.000 0.209 399 L C 2.227 179.081 176.870 -0.026 0.000 1.083 399 L CA 2.040 56.875 54.840 -0.008 0.000 0.752 399 L CB -0.689 41.366 42.059 -0.007 0.000 0.899 399 L HN 0.375 nan 8.230 nan 0.000 0.433 400 L N -0.053 121.154 121.223 -0.026 0.000 2.046 400 L HA -0.198 4.143 4.340 0.002 0.000 0.208 400 L C 2.180 179.028 176.870 -0.036 0.000 1.077 400 L CA 1.769 56.585 54.840 -0.040 0.000 0.747 400 L CB -1.067 40.979 42.059 -0.021 0.000 0.896 400 L HN 0.374 nan 8.230 nan 0.000 0.432 401 N N -0.094 118.596 118.700 -0.016 0.000 2.244 401 N HA -0.146 4.595 4.740 0.002 0.000 0.183 401 N C 1.721 177.233 175.510 0.003 0.000 1.016 401 N CA 1.186 54.233 53.050 -0.005 0.000 0.866 401 N CB -0.126 38.361 38.487 -0.000 0.000 0.980 401 N HN 0.485 nan 8.380 nan 0.000 0.430 402 K N 0.928 121.331 120.400 0.005 0.000 2.057 402 K HA 0.045 4.367 4.320 0.002 0.000 0.206 402 K C 2.020 178.643 176.600 0.039 0.000 1.050 402 K CA 1.119 57.423 56.287 0.029 0.000 0.935 402 K CB -0.091 32.430 32.500 0.035 0.000 0.715 402 K HN 0.086 nan 8.250 nan 0.000 0.439 403 A N 1.466 124.265 122.820 -0.035 0.000 2.019 403 A HA -0.155 4.166 4.320 0.002 0.000 0.219 403 A C 0.441 177.988 177.584 -0.060 0.000 1.164 403 A CA 1.086 53.031 52.037 -0.153 0.000 0.644 403 A CB -0.150 18.639 19.000 -0.351 0.000 0.805 403 A HN 0.222 nan 8.150 nan 0.000 0.449 404 K N -1.840 118.553 120.400 -0.011 0.000 3.071 404 K HA -0.172 4.149 4.320 0.002 0.000 0.265 404 K C -0.671 175.947 176.600 0.029 0.000 1.060 404 K CA 0.884 57.191 56.287 0.034 0.000 0.767 404 K CB -2.317 30.238 32.500 0.091 0.000 1.241 404 K HN 0.567 nan 8.250 nan 0.000 0.486 405 L N 1.124 122.321 121.223 -0.043 0.000 2.386 405 L HA 0.436 4.777 4.340 0.002 0.000 0.271 405 L C -1.865 174.975 176.870 -0.051 0.000 0.993 405 L CA -2.014 52.788 54.840 -0.063 0.000 0.819 405 L CB 2.120 44.071 42.059 -0.180 0.000 1.294 405 L HN -0.132 nan 8.230 nan 0.000 0.414 406 P HA 0.126 nan 4.420 nan 0.000 0.276 406 P C -1.064 176.210 177.300 -0.045 0.000 1.230 406 P CA -0.437 62.655 63.100 -0.014 0.000 0.776 406 P CB 1.669 33.371 31.700 0.004 0.000 0.888 407 L N 3.271 124.477 121.223 -0.028 0.000 2.282 407 L HA 0.802 5.143 4.340 0.002 0.000 0.288 407 L C 0.059 176.883 176.870 -0.076 0.000 1.033 407 L CA 0.284 55.091 54.840 -0.056 0.000 0.807 407 L CB 0.944 42.984 42.059 -0.032 0.000 1.209 407 L HN 0.735 nan 8.230 nan 0.000 0.423 408 G N 4.446 113.173 108.800 -0.122 0.000 2.451 408 G HA2 0.467 4.428 3.960 0.002 0.000 0.292 408 G HA3 0.467 4.428 3.960 0.002 0.000 0.292 408 G C -2.110 172.692 174.900 -0.163 0.000 1.427 408 G CA -0.886 44.127 45.100 -0.144 0.000 0.792 408 G HN 0.636 nan 8.290 nan 0.000 0.498 409 L N -0.683 120.462 121.223 -0.130 0.000 2.333 409 L HA 0.792 5.133 4.340 0.002 0.000 0.269 409 L C -0.882 176.021 176.870 0.056 0.000 1.010 409 L CA -1.048 53.764 54.840 -0.047 0.000 0.818 409 L CB 2.010 44.094 42.059 0.041 0.000 1.306 409 L HN 0.308 nan 8.230 nan 0.000 0.430 410 L N 2.998 124.285 121.223 0.107 0.000 2.385 410 L HA 0.673 5.014 4.340 0.002 0.000 0.273 410 L C -0.660 176.292 176.870 0.137 0.000 0.990 410 L CA -0.143 54.754 54.840 0.095 0.000 0.821 410 L CB 1.935 44.014 42.059 0.034 0.000 1.279 410 L HN 0.403 nan 8.230 nan 0.000 0.412 411 L N -0.204 121.076 121.223 0.095 0.000 2.393 411 L HA 0.685 5.026 4.340 0.002 0.000 0.260 411 L C -0.778 176.189 176.870 0.162 0.000 1.002 411 L CA -0.823 54.036 54.840 0.031 0.000 0.818 411 L CB 2.158 44.069 42.059 -0.246 0.000 1.369 411 L HN 0.503 nan 8.230 nan 0.000 0.412 412 H N 2.050 121.122 119.070 0.003 0.000 2.624 412 H HA 0.310 4.867 4.556 0.002 0.000 0.233 412 H C -2.198 173.163 175.328 0.056 0.000 1.376 412 H CA -2.380 53.701 56.048 0.056 0.000 1.137 412 H CB 0.535 30.298 29.762 0.003 0.000 1.867 412 H HN 0.439 nan 8.280 nan 0.000 0.547 413 P HA -0.212 nan 4.420 nan 0.000 0.218 413 P C 0.759 178.273 177.300 0.357 0.000 1.150 413 P CA 1.045 64.281 63.100 0.228 0.000 0.841 413 P CB 0.082 31.883 31.700 0.168 0.000 0.784 414 F N 0.357 120.356 119.950 0.080 0.000 2.708 414 F HA 0.346 4.874 4.527 0.002 0.000 0.300 414 F C 1.006 176.758 175.800 -0.081 0.000 1.118 414 F CA -1.744 56.247 58.000 -0.014 0.000 1.307 414 F CB -0.397 38.578 39.000 -0.043 0.000 0.986 414 F HN -0.275 nan 8.300 nan 0.000 0.522 415 K N 1.199 121.445 120.400 -0.256 0.000 2.414 415 K HA -0.015 4.307 4.320 0.002 0.000 0.272 415 K C -0.356 176.042 176.600 -0.336 0.000 0.993 415 K CA -0.243 55.727 56.287 -0.529 0.000 0.964 415 K CB 0.360 32.267 32.500 -0.987 0.000 0.925 415 K HN -0.010 nan 8.250 nan 0.000 0.487 416 D N 3.921 124.164 120.400 -0.262 0.000 2.434 416 D HA 0.064 4.705 4.640 0.002 0.000 0.252 416 D C -0.004 176.210 176.300 -0.143 0.000 1.185 416 D CA 0.338 54.217 54.000 -0.201 0.000 0.886 416 D CB 0.351 41.073 40.800 -0.131 0.000 1.148 416 D HN 0.333 nan 8.370 nan 0.000 0.483 417 L N 1.662 122.813 121.223 -0.119 0.000 2.375 417 L HA 0.280 4.621 4.340 0.002 0.000 0.268 417 L C 1.594 178.437 176.870 -0.046 0.000 1.058 417 L CA -0.967 53.833 54.840 -0.067 0.000 0.803 417 L CB 1.427 43.463 42.059 -0.039 0.000 1.212 417 L HN 0.129 nan 8.230 nan 0.000 0.451 418 V N -0.257 119.642 119.914 -0.026 0.000 2.649 418 V HA -0.059 4.063 4.120 0.002 0.000 0.248 418 V C 0.344 176.432 176.094 -0.010 0.000 1.054 418 V CA 0.953 63.244 62.300 -0.015 0.000 1.073 418 V CB -0.478 31.343 31.823 -0.004 0.000 0.699 418 V HN 0.929 nan 8.190 nan 0.000 0.463 419 Q N 0.350 120.145 119.800 -0.008 0.000 2.296 419 Q HA 0.575 4.916 4.340 0.002 0.000 0.254 419 Q C -1.674 174.321 176.000 -0.008 0.000 0.936 419 Q CA -0.644 55.155 55.803 -0.007 0.000 0.834 419 Q CB 2.045 30.781 28.738 -0.002 0.000 1.340 419 Q HN 0.190 nan 8.270 nan 0.000 0.428 420 L N 3.342 124.556 121.223 -0.014 0.000 2.333 420 L HA 0.689 5.030 4.340 0.002 0.000 0.280 420 L C -2.735 174.113 176.870 -0.037 0.000 1.004 420 L CA -1.472 53.356 54.840 -0.020 0.000 0.820 420 L CB 1.487 43.536 42.059 -0.016 0.000 1.247 420 L HN 0.511 nan 8.230 nan 0.000 0.416 421 P HA 0.320 nan 4.420 nan 0.000 0.281 421 P C -1.310 175.919 177.300 -0.119 0.000 1.252 421 P CA -0.247 62.803 63.100 -0.083 0.000 0.778 421 P CB 1.197 32.839 31.700 -0.097 0.000 0.895 422 V N 4.895 124.750 119.914 -0.099 0.000 2.325 422 V HA 0.144 4.266 4.120 0.002 0.000 0.280 422 V C 0.071 176.104 176.094 -0.102 0.000 1.016 422 V CA -0.677 61.562 62.300 -0.103 0.000 0.818 422 V CB 1.792 33.587 31.823 -0.046 0.000 1.019 422 V HN 0.265 nan 8.190 nan 0.000 0.434 423 V N 4.930 124.741 119.914 -0.173 0.000 2.488 423 V HA 0.210 4.331 4.120 0.002 0.000 0.277 423 V C 1.306 177.426 176.094 0.043 0.000 1.046 423 V CA 0.449 62.702 62.300 -0.079 0.000 0.986 423 V CB 1.684 33.420 31.823 -0.145 0.000 0.989 423 V HN 1.006 nan 8.190 nan 0.000 0.475 424 T N 0.049 114.637 114.554 0.057 0.000 3.214 424 T HA 0.142 4.493 4.350 0.002 0.000 0.264 424 T C 0.653 175.404 174.700 0.085 0.000 1.012 424 T CA -0.270 61.868 62.100 0.062 0.000 0.901 424 T CB -0.070 68.815 68.868 0.028 0.000 1.070 424 T HN 0.425 nan 8.240 nan 0.000 0.561 425 S N 2.346 118.133 115.700 0.144 0.000 2.784 425 S HA 0.000 4.472 4.470 0.002 0.000 0.322 425 S C 1.372 176.021 174.600 0.083 0.000 1.234 425 S CA -0.150 58.138 58.200 0.147 0.000 1.064 425 S CB 0.161 63.507 63.200 0.243 0.000 0.787 425 S HN 0.585 nan 8.310 nan 0.000 0.506 426 S N 2.367 118.102 115.700 0.058 0.000 2.537 426 S HA -0.004 4.467 4.470 0.002 0.000 0.240 426 S C 0.896 175.501 174.600 0.010 0.000 0.981 426 S CA 0.641 58.856 58.200 0.025 0.000 0.948 426 S CB 0.049 63.264 63.200 0.026 0.000 0.759 426 S HN 0.780 nan 8.310 nan 0.000 0.531 427 T N 1.468 116.040 114.554 0.028 0.000 3.032 427 T HA 0.470 4.822 4.350 0.002 0.000 0.312 427 T C -1.463 173.229 174.700 -0.014 0.000 1.078 427 T CA -0.723 61.376 62.100 -0.001 0.000 1.028 427 T CB 0.503 69.382 68.868 0.018 0.000 1.091 427 T HN -0.137 nan 8.240 nan 0.000 0.457 428 I N 5.337 125.851 120.570 -0.094 0.000 2.304 428 I HA 0.317 4.489 4.170 0.002 0.000 0.291 428 I C 0.405 176.422 176.117 -0.168 0.000 1.018 428 I CA -0.783 60.404 61.300 -0.189 0.000 1.260 428 I CB 1.109 38.948 38.000 -0.268 0.000 1.390 428 I HN 0.379 nan 8.210 nan 0.000 0.475 429 V N 8.501 128.286 119.914 -0.215 0.000 2.415 429 V HA 0.250 4.372 4.120 0.002 0.000 0.267 429 V C 0.548 176.536 176.094 -0.177 0.000 1.042 429 V CA -0.331 61.810 62.300 -0.265 0.000 1.000 429 V CB -0.445 30.979 31.823 -0.664 0.000 1.015 429 V HN 0.642 nan 8.190 nan 0.000 0.478 430 R N 3.352 123.813 120.500 -0.065 0.000 2.502 430 R HA 0.358 4.699 4.340 0.002 0.000 0.298 430 R C -0.404 175.956 176.300 0.100 0.000 1.018 430 R CA -0.572 55.483 56.100 -0.074 0.000 0.899 430 R CB 1.598 31.718 30.300 -0.299 0.000 1.181 430 R HN 0.823 nan 8.270 nan 0.000 0.444 431 C N 3.394 122.880 119.300 0.311 0.000 2.012 431 C HA -0.110 4.352 4.460 0.002 0.000 0.398 431 C C 1.676 176.632 174.990 -0.055 0.000 1.533 431 C CA 0.307 59.367 59.018 0.071 0.000 1.483 431 C CB -0.148 27.596 27.740 0.007 0.000 2.626 431 C HN 0.933 nan 8.230 nan 0.000 0.572 432 R N 3.294 123.726 120.500 -0.113 0.000 2.237 432 R HA -0.045 4.297 4.340 0.002 0.000 0.219 432 R C 2.252 178.494 176.300 -0.096 0.000 1.080 432 R CA 1.512 57.555 56.100 -0.094 0.000 0.995 432 R CB -0.059 30.182 30.300 -0.099 0.000 0.875 432 R HN 0.834 nan 8.270 nan 0.000 0.462 433 S N 0.194 115.826 115.700 -0.113 0.000 2.346 433 S HA -0.081 4.390 4.470 0.002 0.000 0.204 433 S C 1.951 176.499 174.600 -0.088 0.000 1.008 433 S CA 0.937 59.078 58.200 -0.098 0.000 0.925 433 S CB -0.013 63.122 63.200 -0.107 0.000 0.903 433 S HN 0.634 nan 8.310 nan 0.000 0.537 434 C N 1.621 120.866 119.300 -0.091 0.000 2.626 434 C HA 0.487 4.948 4.460 0.002 0.000 0.266 434 C C 0.688 175.627 174.990 -0.086 0.000 1.317 434 C CA -0.531 58.439 59.018 -0.080 0.000 1.716 434 C CB -1.038 26.654 27.740 -0.080 0.000 1.819 434 C HN 0.484 nan 8.230 nan 0.000 0.578 435 R N -0.001 120.437 120.500 -0.103 0.000 3.953 435 R HA -0.130 4.211 4.340 0.002 0.000 0.340 435 R C 0.018 176.176 176.300 -0.237 0.000 1.195 435 R CA 1.300 57.301 56.100 -0.166 0.000 0.929 435 R CB -3.346 26.846 30.300 -0.180 0.000 1.402 435 R HN 0.687 nan 8.270 nan 0.000 0.540 436 T N 1.374 115.865 114.554 -0.105 0.000 2.916 436 T HA 0.207 4.558 4.350 0.002 0.000 0.303 436 T C 0.484 175.143 174.700 -0.067 0.000 1.025 436 T CA 0.004 62.080 62.100 -0.040 0.000 1.142 436 T CB 0.257 69.171 68.868 0.076 0.000 0.947 436 T HN 0.017 nan 8.240 nan 0.000 0.544 437 Y N 2.163 122.506 120.300 0.072 0.000 2.465 437 Y HA 0.202 4.753 4.550 0.002 0.000 0.331 437 Y C 0.900 176.787 175.900 -0.021 0.000 1.102 437 Y CA -0.962 57.153 58.100 0.024 0.000 1.358 437 Y CB 0.045 38.563 38.460 0.097 0.000 1.213 437 Y HN 0.494 nan 8.280 nan 0.000 0.525 438 I N 6.815 127.331 120.570 -0.089 0.000 3.022 438 I HA -0.159 4.012 4.170 0.002 0.000 0.290 438 I C 0.119 176.176 176.117 -0.100 0.000 1.212 438 I CA 0.211 61.246 61.300 -0.443 0.000 1.377 438 I CB -0.714 36.862 38.000 -0.707 0.000 1.417 438 I HN 0.673 nan 8.210 nan 0.000 0.540 439 N N 7.179 125.824 118.700 -0.092 0.000 2.592 439 N HA 0.498 5.239 4.740 0.002 0.000 0.292 439 N C -2.517 172.888 175.510 -0.176 0.000 1.260 439 N CA -1.808 51.221 53.050 -0.035 0.000 0.910 439 N CB 0.516 39.054 38.487 0.086 0.000 1.257 439 N HN 0.157 nan 8.380 nan 0.000 0.569 440 P HA 0.037 nan 4.420 nan 0.000 0.225 440 P C 0.096 177.034 177.300 -0.603 0.000 1.148 440 P CA 1.084 63.849 63.100 -0.558 0.000 0.779 440 P CB -0.109 31.075 31.700 -0.860 0.000 0.780 441 F N -1.608 118.368 119.950 0.043 0.000 2.641 441 F HA 0.104 4.632 4.527 0.002 0.000 0.302 441 F C 1.425 177.238 175.800 0.022 0.000 1.098 441 F CA -0.853 57.169 58.000 0.037 0.000 1.318 441 F CB -1.279 37.741 39.000 0.032 0.000 1.035 441 F HN -0.235 nan 8.300 nan 0.000 0.551 442 V N -1.598 118.339 119.914 0.039 0.000 3.611 442 V HA 0.411 4.532 4.120 0.002 0.000 0.296 442 V C 0.423 176.514 176.094 -0.004 0.000 1.091 442 V CA -0.625 61.687 62.300 0.020 0.000 1.103 442 V CB 0.849 32.564 31.823 -0.179 0.000 1.157 442 V HN 0.071 nan 8.190 nan 0.000 0.471 443 S N 1.220 116.930 115.700 0.016 0.000 2.718 443 S HA 0.583 5.054 4.470 0.002 0.000 0.294 443 S C -0.852 173.792 174.600 0.075 0.000 1.157 443 S CA -0.174 58.059 58.200 0.056 0.000 1.121 443 S CB 0.285 63.542 63.200 0.094 0.000 1.015 443 S HN 0.519 nan 8.310 nan 0.000 0.479 444 F N 3.080 123.144 119.950 0.190 0.000 2.472 444 F HA 0.321 4.849 4.527 0.002 0.000 0.364 444 F C 0.626 176.508 175.800 0.137 0.000 1.090 444 F CA -0.391 57.727 58.000 0.197 0.000 1.188 444 F CB 0.736 39.844 39.000 0.180 0.000 1.105 444 F HN 0.456 nan 8.300 nan 0.000 0.536 445 L N 1.904 123.340 121.223 0.355 0.000 3.414 445 L HA 0.284 4.625 4.340 0.002 0.000 0.172 445 L C 1.345 178.325 176.870 0.183 0.000 1.268 445 L CA 0.677 55.642 54.840 0.208 0.000 0.871 445 L CB -0.332 41.811 42.059 0.139 0.000 1.470 445 L HN 0.366 nan 8.230 nan 0.000 0.600 446 D N 1.314 121.814 120.400 0.166 0.000 2.387 446 D HA -0.156 4.485 4.640 0.002 0.000 0.257 446 D C 0.577 176.964 176.300 0.145 0.000 1.198 446 D CA 0.550 54.627 54.000 0.130 0.000 0.945 446 D CB -0.146 40.717 40.800 0.106 0.000 0.907 446 D HN 0.471 nan 8.370 nan 0.000 0.518 447 Q N -0.114 119.790 119.800 0.175 0.000 2.363 447 Q HA -0.300 4.042 4.340 0.002 0.000 0.253 447 Q C 0.283 176.353 176.000 0.117 0.000 1.031 447 Q CA 1.081 56.951 55.803 0.111 0.000 1.048 447 Q CB -0.402 28.368 28.738 0.053 0.000 1.545 447 Q HN 0.419 nan 8.270 nan 0.000 0.546 448 R N -1.712 118.910 120.500 0.202 0.000 2.371 448 R HA 0.240 4.581 4.340 0.002 0.000 0.261 448 R C -0.444 176.013 176.300 0.261 0.000 0.768 448 R CA -0.257 55.965 56.100 0.203 0.000 0.992 448 R CB 0.900 31.275 30.300 0.126 0.000 1.687 448 R HN -0.034 nan 8.270 nan 0.000 0.463 449 R N 1.462 122.143 120.500 0.301 0.000 2.574 449 R HA 0.338 4.679 4.340 0.002 0.000 0.288 449 R C -1.517 175.008 176.300 0.375 0.000 1.004 449 R CA -0.647 55.597 56.100 0.240 0.000 0.895 449 R CB 2.027 32.391 30.300 0.105 0.000 1.191 449 R HN 0.026 nan 8.270 nan 0.000 0.444 450 W N 2.698 124.075 121.300 0.129 0.000 2.785 450 W HA 0.484 5.145 4.660 0.002 0.000 0.333 450 W C -1.205 175.284 176.519 -0.050 0.000 1.062 450 W CA -1.108 56.234 57.345 -0.006 0.000 1.233 450 W CB 0.842 30.151 29.460 -0.251 0.000 1.413 450 W HN 0.374 nan 8.180 nan 0.000 0.489 451 K N 3.276 123.712 120.400 0.061 0.000 2.276 451 K HA 0.316 4.638 4.320 0.002 0.000 0.285 451 K C -0.129 176.518 176.600 0.079 0.000 1.062 451 K CA -0.336 55.931 56.287 -0.034 0.000 0.918 451 K CB 0.979 33.505 32.500 0.043 0.000 1.055 451 K HN 0.656 nan 8.250 nan 0.000 0.477 452 C N 5.855 125.092 119.300 -0.103 0.000 2.633 452 C HA 0.062 4.523 4.460 0.002 0.000 0.415 452 C C 1.541 176.598 174.990 0.112 0.000 1.393 452 C CA -0.418 58.647 59.018 0.078 0.000 1.700 452 C CB -0.923 26.751 27.740 -0.109 0.000 2.541 452 C HN 1.049 nan 8.230 nan 0.000 0.603 453 N N 4.070 122.865 118.700 0.157 0.000 2.449 453 N HA -0.037 4.704 4.740 0.002 0.000 0.191 453 N C 0.587 176.065 175.510 -0.054 0.000 1.161 453 N CA 0.513 53.629 53.050 0.109 0.000 0.863 453 N CB -0.043 38.533 38.487 0.149 0.000 0.980 453 N HN 0.659 nan 8.380 nan 0.000 0.458 454 L N -0.185 120.950 121.223 -0.146 0.000 2.653 454 L HA 0.228 4.569 4.340 0.002 0.000 0.230 454 L C 1.568 178.151 176.870 -0.479 0.000 1.055 454 L CA 0.486 55.167 54.840 -0.264 0.000 0.880 454 L CB 0.230 42.215 42.059 -0.123 0.000 1.195 454 L HN 0.500 nan 8.230 nan 0.000 0.492 455 C N -3.343 115.683 119.300 -0.457 0.000 3.365 455 C HA 0.338 4.800 4.460 0.002 0.000 0.266 455 C C 0.814 175.588 174.990 -0.359 0.000 1.631 455 C CA -0.624 58.116 59.018 -0.464 0.000 1.789 455 C CB -1.057 26.549 27.740 -0.223 0.000 3.088 455 C HN 0.544 nan 8.230 nan 0.000 0.547 456 Y N 0.201 120.469 120.300 -0.054 0.000 4.841 456 Y HA -0.300 4.251 4.550 0.002 0.000 0.223 456 Y C 0.956 176.790 175.900 -0.109 0.000 1.002 456 Y CA 1.567 59.627 58.100 -0.067 0.000 1.941 456 Y CB -2.327 36.104 38.460 -0.050 0.000 1.588 456 Y HN 0.784 nan 8.280 nan 0.000 0.555 457 R N 0.920 121.386 120.500 -0.056 0.000 2.643 457 R HA 0.456 4.797 4.340 0.002 0.000 0.270 457 R C -0.367 175.783 176.300 -0.249 0.000 1.061 457 R CA -0.204 55.818 56.100 -0.130 0.000 1.107 457 R CB 0.588 30.788 30.300 -0.168 0.000 0.999 457 R HN 0.006 nan 8.270 nan 0.000 0.460 458 V N 4.482 124.253 119.914 -0.238 0.000 2.465 458 V HA 0.267 4.389 4.120 0.002 0.000 0.279 458 V C 0.061 175.882 176.094 -0.454 0.000 1.045 458 V CA -0.579 61.530 62.300 -0.317 0.000 0.938 458 V CB 1.284 33.009 31.823 -0.163 0.000 0.986 458 V HN 0.816 nan 8.190 nan 0.000 0.467 459 N N 2.077 120.304 118.700 -0.787 0.000 2.335 459 N HA 0.367 5.109 4.740 0.002 0.000 0.304 459 N C -1.269 174.022 175.510 -0.365 0.000 1.135 459 N CA -0.680 51.929 53.050 -0.736 0.000 0.817 459 N CB 2.208 39.945 38.487 -1.250 0.000 1.294 459 N HN 0.619 nan 8.380 nan 0.000 0.497 460 D N 1.297 121.638 120.400 -0.099 0.000 2.339 460 D HA 0.121 4.762 4.640 0.002 0.000 0.241 460 D C 0.133 176.557 176.300 0.207 0.000 1.183 460 D CA -0.157 53.882 54.000 0.065 0.000 0.859 460 D CB 1.463 42.285 40.800 0.036 0.000 1.067 460 D HN 0.109 nan 8.370 nan 0.000 0.484 461 V N 5.521 125.642 119.914 0.345 0.000 2.540 461 V HA 0.059 4.180 4.120 0.002 0.000 0.297 461 V C -1.381 174.840 176.094 0.212 0.000 1.024 461 V CA -0.860 61.653 62.300 0.354 0.000 1.105 461 V CB 0.163 32.251 31.823 0.440 0.000 0.938 461 V HN 0.436 nan 8.190 nan 0.000 0.482 462 P HA 0.178 nan 4.420 nan 0.000 0.276 462 P C -0.395 176.993 177.300 0.147 0.000 1.244 462 P CA -0.535 62.638 63.100 0.122 0.000 0.801 462 P CB 0.923 32.671 31.700 0.080 0.000 1.006 463 E N 0.956 121.219 120.200 0.105 0.000 2.222 463 E HA -0.003 4.348 4.350 0.002 0.000 0.312 463 E C 0.159 176.814 176.600 0.091 0.000 1.263 463 E CA 0.579 57.033 56.400 0.090 0.000 1.356 463 E CB -0.745 28.992 29.700 0.062 0.000 1.180 463 E HN 0.395 nan 8.360 nan 0.000 0.494 464 E N 0.581 120.860 120.200 0.133 0.000 2.370 464 E HA 0.001 4.352 4.350 0.002 0.000 0.195 464 E C 0.437 177.156 176.600 0.197 0.000 1.001 464 E CA -0.044 56.435 56.400 0.132 0.000 1.531 464 E CB -0.371 29.405 29.700 0.127 0.000 2.982 464 E HN 0.314 nan 8.360 nan 0.000 1.057 465 F N 1.584 121.552 119.950 0.030 0.000 2.811 465 F HA 0.245 4.774 4.527 0.002 0.000 0.301 465 F C 0.648 176.442 175.800 -0.009 0.000 1.151 465 F CA 0.195 58.209 58.000 0.023 0.000 1.412 465 F CB 0.308 39.337 39.000 0.050 0.000 1.113 465 F HN -0.036 nan 8.300 nan 0.000 0.579 477 P HA -0.205 nan 4.420 nan 0.000 0.222 477 P C 0.934 177.905 177.300 -0.549 0.000 1.147 477 P CA 1.342 64.177 63.100 -0.442 0.000 0.790 477 P CB 0.011 31.518 31.700 -0.320 0.000 0.780 478 H N -1.786 116.948 119.070 -0.560 0.000 2.556 478 H HA 0.205 4.762 4.556 0.002 0.000 0.268 478 H C 1.824 177.079 175.328 -0.122 0.000 0.996 478 H CA 0.435 56.296 56.048 -0.311 0.000 1.157 478 H CB -0.491 29.135 29.762 -0.226 0.000 1.355 478 H HN -0.087 nan 8.280 nan 0.000 0.597 479 R N 0.217 120.410 120.500 -0.511 0.000 2.265 479 R HA 0.225 4.567 4.340 0.002 0.000 0.194 479 R C 0.271 176.429 176.300 -0.236 0.000 0.931 479 R CA -0.186 55.720 56.100 -0.323 0.000 1.032 479 R CB -0.004 30.057 30.300 -0.398 0.000 0.980 479 R HN 0.100 nan 8.270 nan 0.000 0.497 480 R N 0.634 120.934 120.500 -0.332 0.000 2.638 480 R HA -0.026 4.315 4.340 0.002 0.000 0.268 480 R C -1.765 174.417 176.300 -0.197 0.000 1.006 480 R CA -0.836 55.031 56.100 -0.388 0.000 1.088 480 R CB 0.161 29.935 30.300 -0.877 0.000 0.950 480 R HN 0.014 nan 8.270 nan 0.000 0.419 481 P HA -0.145 nan 4.420 nan 0.000 0.216 481 P C 0.090 177.360 177.300 -0.050 0.000 1.153 481 P CA 1.341 64.388 63.100 -0.088 0.000 0.858 481 P CB 0.180 31.826 31.700 -0.091 0.000 0.789 482 E N -1.192 119.018 120.200 0.016 0.000 2.401 482 E HA -0.078 4.273 4.350 0.002 0.000 0.199 482 E C 1.283 177.938 176.600 0.093 0.000 1.023 482 E CA 0.694 57.160 56.400 0.111 0.000 0.859 482 E CB -0.541 29.399 29.700 0.399 0.000 0.780 482 E HN 0.155 nan 8.360 nan 0.000 0.523 483 V N 0.208 120.159 119.914 0.062 0.000 3.528 483 V HA 0.041 4.163 4.120 0.002 0.000 0.294 483 V C 1.169 177.246 176.094 -0.028 0.000 1.404 483 V CA 0.227 62.549 62.300 0.036 0.000 1.065 483 V CB 0.392 32.326 31.823 0.185 0.000 0.904 483 V HN 0.136 nan 8.190 nan 0.000 0.435 484 Q N 0.461 120.242 119.800 -0.031 0.000 2.282 484 Q HA 0.303 4.645 4.340 0.002 0.000 0.206 484 Q C -0.141 175.831 176.000 -0.046 0.000 0.878 484 Q CA 0.244 56.026 55.803 -0.034 0.000 0.944 484 Q CB 0.693 29.418 28.738 -0.022 0.000 1.100 484 Q HN 0.571 nan 8.270 nan 0.000 0.509 485 N N -0.359 118.306 118.700 -0.058 0.000 2.371 485 N HA 0.316 5.057 4.740 0.002 0.000 0.291 485 N C -0.123 175.374 175.510 -0.022 0.000 1.053 485 N CA 0.011 53.039 53.050 -0.035 0.000 0.870 485 N CB 2.088 40.549 38.487 -0.043 0.000 1.503 485 N HN -0.081 nan 8.380 nan 0.000 0.485 486 A N 1.296 124.142 122.820 0.042 0.000 1.968 486 A HA 0.020 4.341 4.320 0.002 0.000 0.217 486 A C 0.856 178.556 177.584 0.193 0.000 1.169 486 A CA 1.193 53.318 52.037 0.146 0.000 0.638 486 A CB 0.059 19.224 19.000 0.275 0.000 0.812 486 A HN 0.515 nan 8.150 nan 0.000 0.446 487 T N 0.066 114.715 114.554 0.159 0.000 2.779 487 T HA 0.628 4.979 4.350 0.002 0.000 0.280 487 T C -0.829 173.862 174.700 -0.015 0.000 0.987 487 T CA -0.061 62.135 62.100 0.160 0.000 0.966 487 T CB 0.954 69.999 68.868 0.295 0.000 0.933 487 T HN 0.339 nan 8.240 nan 0.000 0.442 488 I N 2.095 122.582 120.570 -0.137 0.000 2.908 488 I HA 0.432 4.603 4.170 0.002 0.000 0.300 488 I C -1.635 174.299 176.117 -0.306 0.000 1.385 488 I CA -0.672 60.485 61.300 -0.238 0.000 1.004 488 I CB 2.354 40.148 38.000 -0.342 0.000 1.309 488 I HN 0.508 nan 8.210 nan 0.000 0.449 489 E N 5.024 125.051 120.200 -0.289 0.000 2.165 489 E HA 0.456 4.807 4.350 0.002 0.000 0.266 489 E C -1.661 174.791 176.600 -0.248 0.000 0.889 489 E CA -0.574 55.716 56.400 -0.183 0.000 0.756 489 E CB 1.229 30.916 29.700 -0.022 0.000 1.131 489 E HN 0.365 nan 8.360 nan 0.000 0.411 490 F N 2.259 122.178 119.950 -0.051 0.000 2.380 490 F HA 0.384 4.912 4.527 0.002 0.000 0.319 490 F C 0.599 176.373 175.800 -0.042 0.000 1.113 490 F CA -0.687 57.286 58.000 -0.045 0.000 1.056 490 F CB 0.937 39.899 39.000 -0.064 0.000 1.289 490 F HN 0.281 nan 8.300 nan 0.000 0.515 491 M N 2.236 121.952 119.600 0.194 0.000 2.047 491 M HA 0.349 4.830 4.480 0.002 0.000 0.342 491 M C -0.197 176.093 176.300 -0.018 0.000 1.058 491 M CA -0.831 54.501 55.300 0.054 0.000 0.991 491 M CB 0.536 33.155 32.600 0.032 0.000 1.474 491 M HN 0.619 nan 8.290 nan 0.000 0.419 492 A N 7.320 130.107 122.820 -0.056 0.000 2.531 492 A HA 0.469 4.790 4.320 0.002 0.000 0.236 492 A C -1.948 175.489 177.584 -0.244 0.000 1.062 492 A CA -0.428 51.493 52.037 -0.194 0.000 0.760 492 A CB -0.699 18.290 19.000 -0.019 0.000 0.995 492 A HN 0.544 nan 8.150 nan 0.000 0.501 493 P HA 0.179 nan 4.420 nan 0.000 0.282 493 P C 0.875 178.107 177.300 -0.114 0.000 1.287 493 P CA -0.182 62.758 63.100 -0.266 0.000 0.792 493 P CB 1.033 32.525 31.700 -0.348 0.000 1.163 494 S N -0.508 115.166 115.700 -0.045 0.000 2.440 494 S HA -0.173 4.299 4.470 0.002 0.000 0.238 494 S C 1.099 175.736 174.600 0.063 0.000 1.010 494 S CA 1.586 59.792 58.200 0.009 0.000 0.972 494 S CB -0.776 62.427 63.200 0.006 0.000 0.774 494 S HN 0.451 nan 8.310 nan 0.000 0.501 495 E N -0.685 119.587 120.200 0.120 0.000 2.474 495 E HA 0.165 4.516 4.350 0.002 0.000 0.195 495 E C 0.207 177.013 176.600 0.344 0.000 1.039 495 E CA 0.081 56.599 56.400 0.197 0.000 0.881 495 E CB -0.020 29.792 29.700 0.187 0.000 0.970 495 E HN 0.717 nan 8.360 nan 0.000 0.486 496 Y N 1.214 121.517 120.300 0.004 0.000 2.583 496 Y HA 0.250 4.801 4.550 0.002 0.000 0.294 496 Y C 0.527 176.432 175.900 0.009 0.000 1.170 496 Y CA -0.775 57.331 58.100 0.010 0.000 1.265 496 Y CB 0.046 38.517 38.460 0.020 0.000 1.119 496 Y HN 0.054 nan 8.280 nan 0.000 0.522 497 M N -2.060 117.626 119.600 0.143 0.000 2.421 497 M HA 0.349 4.831 4.480 0.002 0.000 0.287 497 M C -1.354 174.977 176.300 0.051 0.000 1.183 497 M CA -0.875 54.472 55.300 0.079 0.000 0.916 497 M CB 1.796 34.433 32.600 0.062 0.000 1.701 497 M HN -0.110 nan 8.290 nan 0.000 0.470 498 L N 1.738 122.982 121.223 0.036 0.000 2.558 498 L HA 0.332 4.673 4.340 0.002 0.000 0.225 498 L C 0.743 177.624 176.870 0.018 0.000 1.128 498 L CA 0.832 55.687 54.840 0.024 0.000 0.868 498 L CB -0.831 41.240 42.059 0.019 0.000 1.006 498 L HN 0.890 nan 8.230 nan 0.000 0.454 499 R N -3.248 117.263 120.500 0.019 0.000 2.728 499 R HA 0.481 4.822 4.340 0.002 0.000 0.274 499 R C -2.971 173.333 176.300 0.006 0.000 1.032 499 R CA -1.579 54.526 56.100 0.009 0.000 0.866 499 R CB -0.163 30.139 30.300 0.003 0.000 1.263 499 R HN -0.357 nan 8.270 nan 0.000 0.475 500 P HA 0.095 nan 4.420 nan 0.000 0.264 500 P C -2.386 174.906 177.300 -0.012 0.000 1.183 500 P CA -0.550 62.546 63.100 -0.008 0.000 0.763 500 P CB -0.004 31.688 31.700 -0.014 0.000 0.807 501 P HA -0.085 nan 4.420 nan 0.000 0.258 501 P C -0.227 177.051 177.300 -0.037 0.000 1.172 501 P CA 0.395 63.488 63.100 -0.012 0.000 0.762 501 P CB 0.041 31.735 31.700 -0.011 0.000 0.764 502 Q N 6.465 126.236 119.800 -0.049 0.000 2.421 502 Q HA 0.330 4.671 4.340 0.002 0.000 0.255 502 Q C -2.205 173.681 176.000 -0.191 0.000 1.013 502 Q CA -1.625 54.110 55.803 -0.114 0.000 0.895 502 Q CB -0.194 28.468 28.738 -0.128 0.000 1.271 502 Q HN 0.318 nan 8.270 nan 0.000 0.460 503 P HA 0.269 nan 4.420 nan 0.000 0.282 503 P C -2.614 174.357 177.300 -0.547 0.000 1.287 503 P CA -1.940 60.997 63.100 -0.272 0.000 0.792 503 P CB 0.198 31.786 31.700 -0.188 0.000 1.163 504 P HA 0.160 nan 4.420 nan 0.000 0.287 504 P C -0.834 176.006 177.300 -0.767 0.000 1.294 504 P CA -0.122 62.444 63.100 -0.891 0.000 0.776 504 P CB 0.680 32.140 31.700 -0.400 0.000 0.889 505 V N 5.639 125.040 119.914 -0.854 0.000 2.444 505 V HA 0.312 4.433 4.120 0.002 0.000 0.294 505 V C -0.783 175.014 176.094 -0.494 0.000 1.022 505 V CA -0.533 61.450 62.300 -0.529 0.000 0.850 505 V CB 1.101 32.731 31.823 -0.322 0.000 0.992 505 V HN 0.352 nan 8.190 nan 0.000 0.426 506 Y N 5.081 125.345 120.300 -0.059 0.000 2.328 506 Y HA 0.695 5.246 4.550 0.002 0.000 0.333 506 Y C -0.342 175.390 175.900 -0.280 0.000 0.958 506 Y CA -1.169 56.847 58.100 -0.140 0.000 1.167 506 Y CB 1.790 40.264 38.460 0.024 0.000 1.151 506 Y HN 0.546 nan 8.280 nan 0.000 0.470 507 L N 5.222 126.293 121.223 -0.253 0.000 2.316 507 L HA 0.632 4.973 4.340 0.002 0.000 0.280 507 L C -1.686 174.925 176.870 -0.431 0.000 1.006 507 L CA -0.783 53.895 54.840 -0.271 0.000 0.836 507 L CB 0.023 42.009 42.059 -0.122 0.000 1.221 507 L HN 0.326 nan 8.230 nan 0.000 0.418 508 F N 4.485 124.286 119.950 -0.248 0.000 2.394 508 F HA 0.600 5.128 4.527 0.002 0.000 0.340 508 F C 0.215 175.739 175.800 -0.461 0.000 1.105 508 F CA -0.507 57.324 58.000 -0.281 0.000 1.124 508 F CB 1.631 40.428 39.000 -0.338 0.000 1.145 508 F HN 0.114 nan 8.300 nan 0.000 0.505 509 V N 4.726 124.515 119.914 -0.208 0.000 2.409 509 V HA 0.373 4.494 4.120 0.002 0.000 0.290 509 V C -0.684 175.514 176.094 0.173 0.000 1.017 509 V CA -0.972 61.292 62.300 -0.060 0.000 0.841 509 V CB 0.798 32.666 31.823 0.074 0.000 1.003 509 V HN 0.512 nan 8.190 nan 0.000 0.426 510 F N 2.126 122.345 119.950 0.448 0.000 2.443 510 F HA 0.532 5.060 4.527 0.002 0.000 0.335 510 F C 0.287 176.064 175.800 -0.038 0.000 1.104 510 F CA -0.881 57.301 58.000 0.304 0.000 1.013 510 F CB 1.607 40.661 39.000 0.091 0.000 1.136 510 F HN 0.488 nan 8.300 nan 0.000 0.470 511 D N 2.230 122.615 120.400 -0.025 0.000 2.313 511 D HA 0.244 4.886 4.640 0.002 0.000 0.239 511 D C 0.126 176.200 176.300 -0.376 0.000 1.142 511 D CA -0.513 53.005 54.000 -0.803 0.000 0.847 511 D CB 1.537 42.083 40.800 -0.424 0.000 1.082 511 D HN 0.357 nan 8.370 nan 0.000 0.480 512 V N 1.976 121.561 119.914 -0.548 0.000 3.039 512 V HA 0.266 4.387 4.120 0.002 0.000 0.369 512 V C 0.719 176.650 176.094 -0.270 0.000 1.344 512 V CA -0.150 61.865 62.300 -0.475 0.000 1.270 512 V CB -1.315 29.892 31.823 -1.027 0.000 1.284 512 V HN 0.508 nan 8.190 nan 0.000 0.518 513 S N -0.617 114.975 115.700 -0.179 0.000 2.598 513 S HA 0.054 4.525 4.470 0.002 0.000 0.256 513 S C 1.264 175.902 174.600 0.064 0.000 1.350 513 S CA 0.770 58.947 58.200 -0.039 0.000 0.984 513 S CB 0.110 63.292 63.200 -0.031 0.000 0.930 513 S HN 0.717 nan 8.310 nan 0.000 0.577 514 H N 1.014 120.087 119.070 0.005 0.000 2.290 514 H HA -0.186 4.371 4.556 0.002 0.000 0.298 514 H C 2.285 177.632 175.328 0.032 0.000 1.087 514 H CA 1.860 57.924 56.048 0.026 0.000 1.291 514 H CB -0.375 29.409 29.762 0.037 0.000 1.369 514 H HN 0.809 nan 8.280 nan 0.000 0.492 515 N N 0.682 119.325 118.700 -0.095 0.000 2.069 515 N HA -0.185 4.556 4.740 0.002 0.000 0.191 515 N C 2.149 177.656 175.510 -0.006 0.000 1.031 515 N CA 1.430 54.397 53.050 -0.139 0.000 0.852 515 N CB -0.256 38.185 38.487 -0.077 0.000 1.018 515 N HN 0.464 nan 8.380 nan 0.000 0.423 516 A N 1.128 123.967 122.820 0.032 0.000 1.892 516 A HA -0.118 4.204 4.320 0.002 0.000 0.218 516 A C 2.560 180.177 177.584 0.055 0.000 1.188 516 A CA 1.848 53.945 52.037 0.100 0.000 0.631 516 A CB -1.036 18.023 19.000 0.098 0.000 0.822 516 A HN 0.226 nan 8.150 nan 0.000 0.447 517 V N 0.227 120.149 119.914 0.014 0.000 2.392 517 V HA -0.251 3.870 4.120 0.002 0.000 0.249 517 V C 2.580 178.653 176.094 -0.035 0.000 1.059 517 V CA 2.441 64.729 62.300 -0.021 0.000 1.051 517 V CB -0.761 31.098 31.823 0.061 0.000 0.658 517 V HN 0.754 nan 8.190 nan 0.000 0.455 518 E N 0.929 121.145 120.200 0.027 0.000 2.274 518 E HA -0.165 4.186 4.350 0.002 0.000 0.194 518 E C 2.174 178.757 176.600 -0.029 0.000 0.996 518 E CA 1.573 57.993 56.400 0.034 0.000 0.840 518 E CB -0.384 29.351 29.700 0.058 0.000 0.772 518 E HN 0.765 nan 8.360 nan 0.000 0.491 519 T N -3.471 111.088 114.554 0.008 0.000 2.985 519 T HA 0.091 4.442 4.350 0.002 0.000 0.266 519 T C 1.709 176.424 174.700 0.024 0.000 1.076 519 T CA 0.763 62.896 62.100 0.054 0.000 1.135 519 T CB -0.510 68.504 68.868 0.244 0.000 0.890 519 T HN 0.352 nan 8.240 nan 0.000 0.480 520 G N 1.356 110.071 108.800 -0.143 0.000 2.179 520 G HA2 -0.372 3.589 3.960 0.002 0.000 0.257 520 G HA3 -0.372 3.589 3.960 0.002 0.000 0.257 520 G C 0.377 175.189 174.900 -0.146 0.000 1.010 520 G CA 0.743 45.638 45.100 -0.342 0.000 0.736 520 G HN 0.880 nan 8.290 nan 0.000 0.513 521 Y N -1.057 119.176 120.300 -0.110 0.000 2.220 521 Y HA 0.242 4.794 4.550 0.002 0.000 0.291 521 Y C 2.403 178.096 175.900 -0.345 0.000 1.129 521 Y CA 1.133 59.087 58.100 -0.243 0.000 1.161 521 Y CB -0.617 37.541 38.460 -0.504 0.000 0.997 521 Y HN 0.231 nan 8.280 nan 0.000 0.522 522 L N 0.934 121.178 121.223 -1.631 0.000 2.064 522 L HA -0.365 3.976 4.340 0.002 0.000 0.216 522 L C 1.620 178.018 176.870 -0.786 0.000 1.077 522 L CA 2.446 56.445 54.840 -1.401 0.000 0.766 522 L CB -0.595 40.782 42.059 -1.136 0.000 0.890 522 L HN 0.425 nan 8.230 nan 0.000 0.435 523 N N -0.201 118.171 118.700 -0.546 0.000 2.013 523 N HA -0.216 4.525 4.740 0.002 0.000 0.195 523 N C 1.951 177.270 175.510 -0.319 0.000 1.051 523 N CA 2.066 54.891 53.050 -0.376 0.000 0.851 523 N CB -0.519 37.795 38.487 -0.288 0.000 1.044 523 N HN 0.448 nan 8.380 nan 0.000 0.422 524 S N 0.134 115.688 115.700 -0.244 0.000 2.399 524 S HA -0.093 4.379 4.470 0.002 0.000 0.231 524 S C 2.065 176.519 174.600 -0.243 0.000 1.022 524 S CA 1.079 59.168 58.200 -0.185 0.000 0.983 524 S CB -0.844 62.306 63.200 -0.085 0.000 0.803 524 S HN 0.100 nan 8.310 nan 0.000 0.480 525 V N 1.485 121.190 119.914 -0.348 0.000 2.261 525 V HA -0.215 3.906 4.120 0.002 0.000 0.246 525 V C 2.921 178.765 176.094 -0.417 0.000 1.047 525 V CA 1.788 63.835 62.300 -0.421 0.000 1.015 525 V CB -1.363 30.052 31.823 -0.680 0.000 0.642 525 V HN 0.670 nan 8.190 nan 0.000 0.446 526 C N -0.563 118.445 119.300 -0.487 0.000 2.413 526 C HA -0.190 4.271 4.460 0.002 0.000 0.277 526 C C 2.886 177.710 174.990 -0.276 0.000 1.265 526 C CA 1.435 60.214 59.018 -0.398 0.000 1.752 526 C CB -0.881 26.606 27.740 -0.421 0.000 1.998 526 C HN 0.633 nan 8.230 nan 0.000 0.489 527 Q N 1.397 121.050 119.800 -0.244 0.000 2.020 527 Q HA -0.138 4.203 4.340 0.002 0.000 0.202 527 Q C 2.317 178.227 176.000 -0.149 0.000 0.982 527 Q CA 2.408 58.105 55.803 -0.176 0.000 0.838 527 Q CB -0.575 28.072 28.738 -0.152 0.000 0.899 527 Q HN 0.591 nan 8.270 nan 0.000 0.423 528 S N 0.129 115.737 115.700 -0.153 0.000 2.365 528 S HA -0.171 4.300 4.470 0.002 0.000 0.225 528 S C 1.824 176.356 174.600 -0.113 0.000 1.039 528 S CA 1.400 59.531 58.200 -0.115 0.000 1.033 528 S CB -0.522 62.614 63.200 -0.107 0.000 0.887 528 S HN 0.400 nan 8.310 nan 0.000 0.447 529 L N 0.868 121.992 121.223 -0.165 0.000 2.012 529 L HA -0.149 4.192 4.340 0.002 0.000 0.210 529 L C 2.293 179.096 176.870 -0.111 0.000 1.073 529 L CA 1.217 55.955 54.840 -0.170 0.000 0.748 529 L CB -0.480 41.417 42.059 -0.270 0.000 0.891 529 L HN 0.331 nan 8.230 nan 0.000 0.431 530 L N -0.589 120.563 121.223 -0.119 0.000 2.012 530 L HA -0.288 4.054 4.340 0.002 0.000 0.210 530 L C 2.256 179.088 176.870 -0.062 0.000 1.073 530 L CA 1.428 56.216 54.840 -0.088 0.000 0.748 530 L CB -0.713 41.284 42.059 -0.103 0.000 0.891 530 L HN 0.343 nan 8.230 nan 0.000 0.431 531 D N -0.074 120.285 120.400 -0.068 0.000 2.218 531 D HA -0.140 4.501 4.640 0.002 0.000 0.204 531 D C 1.208 177.488 176.300 -0.034 0.000 0.976 531 D CA 1.096 55.066 54.000 -0.049 0.000 0.853 531 D CB -0.181 40.587 40.800 -0.054 0.000 0.939 531 D HN 0.433 nan 8.370 nan 0.000 0.481 532 N N 0.203 118.882 118.700 -0.035 0.000 2.204 532 N HA 0.024 4.765 4.740 0.002 0.000 0.219 532 N C 1.513 177.018 175.510 -0.009 0.000 1.151 532 N CA -0.210 52.828 53.050 -0.019 0.000 0.867 532 N CB 0.834 39.310 38.487 -0.018 0.000 1.043 532 N HN 0.037 nan 8.380 nan 0.000 0.516 533 L N 1.846 123.065 121.223 -0.006 0.000 1.990 533 L HA -0.177 4.164 4.340 0.002 0.000 0.213 533 L C 1.620 178.515 176.870 0.042 0.000 1.072 533 L CA 1.882 56.735 54.840 0.022 0.000 0.755 533 L CB -0.454 41.621 42.059 0.025 0.000 0.889 533 L HN 0.100 nan 8.230 nan 0.000 0.432 534 D N -1.019 119.401 120.400 0.032 0.000 2.310 534 D HA -0.088 4.553 4.640 0.002 0.000 0.212 534 D C 1.971 178.297 176.300 0.044 0.000 0.965 534 D CA 0.829 54.854 54.000 0.041 0.000 0.879 534 D CB 0.132 40.949 40.800 0.029 0.000 0.921 534 D HN 0.355 nan 8.370 nan 0.000 0.510 535 L N 0.581 121.823 121.223 0.032 0.000 2.611 535 L HA 0.161 4.503 4.340 0.002 0.000 0.229 535 L C 0.620 177.512 176.870 0.037 0.000 1.137 535 L CA -0.134 54.725 54.840 0.031 0.000 0.901 535 L CB 0.143 42.212 42.059 0.016 0.000 1.098 535 L HN -0.170 nan 8.230 nan 0.000 0.456 536 L N 1.610 122.860 121.223 0.046 0.000 2.410 536 L HA 0.187 4.528 4.340 0.002 0.000 0.273 536 L C -1.926 175.044 176.870 0.166 0.000 1.152 536 L CA -1.854 53.011 54.840 0.040 0.000 0.855 536 L CB -0.154 41.910 42.059 0.010 0.000 1.129 536 L HN -0.176 nan 8.230 nan 0.000 0.463 537 P HA 0.171 nan 4.420 nan 0.000 0.261 537 P C 0.018 177.520 177.300 0.337 0.000 1.183 537 P CA 0.297 63.551 63.100 0.257 0.000 0.761 537 P CB 0.645 32.510 31.700 0.274 0.000 0.785 538 G N 2.037 110.975 108.800 0.229 0.000 2.329 538 G HA2 0.203 4.164 3.960 0.002 0.000 0.308 538 G HA3 0.203 4.164 3.960 0.002 0.000 0.308 538 G C -0.941 174.032 174.900 0.121 0.000 1.587 538 G CA -0.905 44.305 45.100 0.184 0.000 0.978 538 G HN 0.580 nan 8.290 nan 0.000 0.685 539 N N -1.353 117.397 118.700 0.083 0.000 2.645 539 N HA 0.539 5.280 4.740 0.002 0.000 0.308 539 N C 1.672 177.211 175.510 0.048 0.000 1.335 539 N CA 0.453 53.539 53.050 0.059 0.000 0.909 539 N CB -0.251 38.261 38.487 0.042 0.000 1.109 539 N HN 0.826 nan 8.380 nan 0.000 0.555 540 T N -3.472 111.102 114.554 0.034 0.000 3.155 540 T HA 0.043 4.394 4.350 0.002 0.000 0.264 540 T C 1.024 175.733 174.700 0.015 0.000 1.160 540 T CA 0.522 62.639 62.100 0.028 0.000 1.075 540 T CB -0.384 68.498 68.868 0.022 0.000 0.921 540 T HN 0.351 nan 8.240 nan 0.000 0.533 541 R N 0.881 121.382 120.500 0.001 0.000 2.297 541 R HA 0.119 4.461 4.340 0.002 0.000 0.197 541 R C 0.352 176.624 176.300 -0.046 0.000 0.943 541 R CA 0.061 56.146 56.100 -0.026 0.000 1.038 541 R CB -0.234 30.040 30.300 -0.044 0.000 0.957 541 R HN 0.313 nan 8.270 nan 0.000 0.484 542 T N 2.440 116.983 114.554 -0.020 0.000 2.908 542 T HA 0.024 4.375 4.350 0.002 0.000 0.301 542 T C 0.229 174.920 174.700 -0.015 0.000 1.019 542 T CA 0.810 62.893 62.100 -0.028 0.000 1.152 542 T CB 0.686 69.602 68.868 0.081 0.000 0.966 542 T HN 0.046 nan 8.240 nan 0.000 0.540 543 K N 2.080 122.438 120.400 -0.070 0.000 2.316 543 K HA 0.679 5.001 4.320 0.002 0.000 0.251 543 K C -0.731 175.872 176.600 0.005 0.000 0.934 543 K CA -0.886 55.382 56.287 -0.031 0.000 0.802 543 K CB 2.499 34.955 32.500 -0.074 0.000 1.171 543 K HN 0.427 nan 8.250 nan 0.000 0.426 544 I N 0.131 120.739 120.570 0.064 0.000 2.730 544 I HA 0.622 4.793 4.170 0.002 0.000 0.298 544 I C -0.763 175.330 176.117 -0.040 0.000 1.089 544 I CA -0.161 61.184 61.300 0.074 0.000 1.041 544 I CB 2.224 40.331 38.000 0.178 0.000 1.235 544 I HN 0.694 nan 8.210 nan 0.000 0.423 545 G N 4.410 113.054 108.800 -0.260 0.000 2.725 545 G HA2 0.771 4.732 3.960 0.002 0.000 0.288 545 G HA3 0.771 4.732 3.960 0.002 0.000 0.288 545 G C -2.010 172.445 174.900 -0.743 0.000 1.399 545 G CA -0.508 44.439 45.100 -0.254 0.000 0.859 545 G HN 0.392 nan 8.290 nan 0.000 0.479 546 F N -0.938 119.132 119.950 0.199 0.000 2.650 546 F HA 0.652 5.180 4.527 0.002 0.000 0.310 546 F C -0.377 175.549 175.800 0.211 0.000 1.112 546 F CA -0.638 57.442 58.000 0.133 0.000 0.986 546 F CB 2.488 41.521 39.000 0.055 0.000 1.285 546 F HN 0.292 nan 8.300 nan 0.000 0.440 547 I N 1.896 122.636 120.570 0.284 0.000 2.649 547 I HA 0.391 4.562 4.170 0.002 0.000 0.289 547 I C -0.716 175.573 176.117 0.287 0.000 1.222 547 I CA -0.484 60.961 61.300 0.241 0.000 1.046 547 I CB 2.682 40.645 38.000 -0.060 0.000 1.272 547 I HN 0.708 nan 8.210 nan 0.000 0.425 548 T N 2.499 117.311 114.554 0.431 0.000 2.948 548 T HA 0.900 5.251 4.350 0.002 0.000 0.285 548 T C -0.619 174.075 174.700 -0.011 0.000 1.019 548 T CA -0.678 61.602 62.100 0.299 0.000 1.013 548 T CB 2.102 71.198 68.868 0.381 0.000 1.117 548 T HN 0.487 nan 8.240 nan 0.000 0.533 549 F N -0.919 118.762 119.950 -0.449 0.000 2.769 549 F HA 0.643 5.172 4.527 0.002 0.000 0.313 549 F C -1.225 174.372 175.800 -0.338 0.000 1.146 549 F CA -0.982 56.602 58.000 -0.692 0.000 0.934 549 F CB 0.620 39.395 39.000 -0.374 0.000 1.283 549 F HN 0.717 nan 8.300 nan 0.000 0.443 550 D N 0.014 120.301 120.400 -0.189 0.000 2.583 550 D HA 0.158 4.799 4.640 0.002 0.000 0.123 550 D C 1.044 177.403 176.300 0.098 0.000 1.382 550 D CA 0.782 54.748 54.000 -0.057 0.000 1.522 550 D CB -0.485 40.332 40.800 0.028 0.000 1.976 550 D HN 0.469 nan 8.370 nan 0.000 0.191 551 S N -0.830 114.943 115.700 0.121 0.000 2.548 551 S HA 0.277 4.749 4.470 0.002 0.000 0.215 551 S C 0.698 175.374 174.600 0.127 0.000 0.976 551 S CA 0.592 58.863 58.200 0.117 0.000 0.908 551 S CB -0.661 62.601 63.200 0.103 0.000 0.781 551 S HN 0.757 nan 8.310 nan 0.000 0.519 552 T N -0.556 114.097 114.554 0.164 0.000 2.896 552 T HA 0.734 5.085 4.350 0.002 0.000 0.297 552 T C -0.911 173.833 174.700 0.074 0.000 1.108 552 T CA -0.956 61.243 62.100 0.166 0.000 1.004 552 T CB 0.985 69.997 68.868 0.240 0.000 1.159 552 T HN -0.003 nan 8.240 nan 0.000 0.499 553 I N 2.412 123.010 120.570 0.046 0.000 2.371 553 I HA 0.287 4.458 4.170 0.002 0.000 0.290 553 I C 0.190 176.316 176.117 0.016 0.000 1.028 553 I CA -0.316 60.913 61.300 -0.118 0.000 1.345 553 I CB 0.581 38.447 38.000 -0.223 0.000 1.407 553 I HN 0.676 nan 8.210 nan 0.000 0.501 554 H N 6.450 125.460 119.070 -0.100 0.000 2.691 554 H HA 0.380 4.937 4.556 0.002 0.000 0.281 554 H C -0.698 174.514 175.328 -0.193 0.000 1.121 554 H CA -0.775 55.213 56.048 -0.100 0.000 1.254 554 H CB 0.397 30.176 29.762 0.028 0.000 1.390 554 H HN 0.339 nan 8.280 nan 0.000 0.491 555 F N 1.533 121.498 119.950 0.024 0.000 2.375 555 F HA 0.239 4.768 4.527 0.002 0.000 0.313 555 F C -0.075 175.650 175.800 -0.124 0.000 1.176 555 F CA -0.168 57.867 58.000 0.059 0.000 1.142 555 F CB 0.621 39.641 39.000 0.034 0.000 1.275 555 F HN 0.428 nan 8.300 nan 0.000 0.544 556 Y N -0.065 120.467 120.300 0.386 0.000 2.331 556 Y HA 0.479 5.030 4.550 0.002 0.000 0.326 556 Y C 0.352 176.392 175.900 0.233 0.000 1.020 556 Y CA -1.155 57.111 58.100 0.275 0.000 1.136 556 Y CB 1.562 40.186 38.460 0.272 0.000 1.157 556 Y HN 0.658 nan 8.280 nan 0.000 0.444 557 G N 3.293 112.256 108.800 0.272 0.000 2.400 557 G HA2 0.655 4.617 3.960 0.002 0.000 0.301 557 G HA3 0.655 4.617 3.960 0.002 0.000 0.301 557 G C -1.149 173.862 174.900 0.185 0.000 1.154 557 G CA -0.656 44.560 45.100 0.193 0.000 0.852 557 G HN 0.567 nan 8.290 nan 0.000 0.511 558 L N 1.608 122.922 121.223 0.153 0.000 2.518 558 L HA 0.341 4.683 4.340 0.002 0.000 0.262 558 L C -0.431 176.493 176.870 0.091 0.000 0.982 558 L CA -0.385 54.531 54.840 0.127 0.000 0.873 558 L CB 1.591 43.741 42.059 0.153 0.000 1.198 558 L HN 0.485 nan 8.230 nan 0.000 0.427 559 Q N 1.209 121.051 119.800 0.070 0.000 2.365 559 Q HA 0.262 4.603 4.340 0.002 0.000 0.269 559 Q C 0.297 176.322 176.000 0.042 0.000 1.061 559 Q CA -0.592 55.242 55.803 0.052 0.000 0.816 559 Q CB 3.114 31.878 28.738 0.044 0.000 1.325 559 Q HN 0.462 nan 8.270 nan 0.000 0.446 560 E N 0.716 120.937 120.200 0.035 0.000 2.347 560 E HA -0.133 4.219 4.350 0.002 0.000 0.196 560 E C 1.217 177.830 176.600 0.022 0.000 1.008 560 E CA 1.157 57.574 56.400 0.028 0.000 0.852 560 E CB 0.336 30.051 29.700 0.025 0.000 0.783 560 E HN 0.673 nan 8.360 nan 0.000 0.505 561 S N -0.453 115.260 115.700 0.022 0.000 2.496 561 S HA 0.053 4.524 4.470 0.002 0.000 0.224 561 S C 0.817 175.427 174.600 0.017 0.000 0.996 561 S CA -0.126 58.085 58.200 0.017 0.000 0.927 561 S CB -0.076 63.134 63.200 0.016 0.000 0.774 561 S HN 0.074 nan 8.310 nan 0.000 0.524 562 L N 1.175 122.411 121.223 0.021 0.000 2.360 562 L HA 0.436 4.777 4.340 0.002 0.000 0.271 562 L C 1.259 178.139 176.870 0.017 0.000 1.057 562 L CA -0.652 54.200 54.840 0.020 0.000 0.803 562 L CB 1.300 43.375 42.059 0.027 0.000 1.207 562 L HN 0.023 nan 8.230 nan 0.000 0.445 563 S N 0.176 115.883 115.700 0.012 0.000 2.474 563 S HA -0.075 4.396 4.470 0.002 0.000 0.235 563 S C 0.188 174.792 174.600 0.007 0.000 0.997 563 S CA 0.717 58.921 58.200 0.007 0.000 0.949 563 S CB -0.174 63.027 63.200 0.002 0.000 0.766 563 S HN 0.729 nan 8.310 nan 0.000 0.517 564 Q N -0.651 119.158 119.800 0.016 0.000 2.647 564 Q HA 0.376 4.717 4.340 0.002 0.000 0.283 564 Q C -3.361 172.664 176.000 0.041 0.000 0.943 564 Q CA -1.843 53.971 55.803 0.019 0.000 0.813 564 Q CB 0.561 29.304 28.738 0.008 0.000 1.477 564 Q HN -0.092 nan 8.270 nan 0.000 0.393 565 P HA -0.107 nan 4.420 nan 0.000 0.270 565 P C -1.175 176.192 177.300 0.112 0.000 1.221 565 P CA 0.281 63.448 63.100 0.111 0.000 0.788 565 P CB 0.359 32.148 31.700 0.148 0.000 0.904 566 Q N 0.278 120.156 119.800 0.131 0.000 2.309 566 Q HA 0.531 4.873 4.340 0.002 0.000 0.270 566 Q C -0.636 175.382 176.000 0.030 0.000 1.023 566 Q CA -0.800 55.047 55.803 0.073 0.000 0.758 566 Q CB 1.599 30.369 28.738 0.054 0.000 1.247 566 Q HN 0.375 nan 8.270 nan 0.000 0.455 567 M N 5.302 124.859 119.600 -0.072 0.000 2.264 567 M HA 0.266 4.747 4.480 0.002 0.000 0.340 567 M C -1.472 174.742 176.300 -0.144 0.000 1.420 567 M CA -0.362 54.753 55.300 -0.309 0.000 1.254 567 M CB 0.239 32.658 32.600 -0.302 0.000 1.575 567 M HN 0.698 nan 8.290 nan 0.000 0.452 568 L N 7.254 128.442 121.223 -0.058 0.000 2.270 568 L HA 0.425 4.766 4.340 0.002 0.000 0.286 568 L C -0.435 176.521 176.870 0.144 0.000 1.059 568 L CA -0.393 54.483 54.840 0.060 0.000 0.839 568 L CB 0.176 42.288 42.059 0.089 0.000 1.221 568 L HN 0.665 nan 8.230 nan 0.000 0.431 569 I N 3.931 124.555 120.570 0.091 0.000 2.371 569 I HA 0.176 4.347 4.170 0.002 0.000 0.290 569 I C 0.123 176.319 176.117 0.132 0.000 1.028 569 I CA -0.356 61.022 61.300 0.130 0.000 1.345 569 I CB 1.802 39.840 38.000 0.064 0.000 1.407 569 I HN 0.319 nan 8.210 nan 0.000 0.501 570 V N 6.409 126.401 119.914 0.130 0.000 2.334 570 V HA 0.274 4.395 4.120 0.002 0.000 0.281 570 V C 0.868 177.010 176.094 0.080 0.000 1.016 570 V CA 0.085 62.407 62.300 0.036 0.000 0.832 570 V CB 1.607 33.320 31.823 -0.182 0.000 0.999 570 V HN 0.902 nan 8.190 nan 0.000 0.439 571 S N 2.626 118.390 115.700 0.107 0.000 2.517 571 S HA 0.106 4.577 4.470 0.002 0.000 0.214 571 S C 0.749 175.409 174.600 0.101 0.000 0.991 571 S CA 0.340 58.603 58.200 0.106 0.000 0.906 571 S CB -0.103 63.158 63.200 0.102 0.000 0.789 571 S HN 0.796 nan 8.310 nan 0.000 0.513 572 D N 2.322 122.796 120.400 0.123 0.000 2.545 572 D HA 0.150 4.791 4.640 0.002 0.000 0.227 572 D C 1.062 177.423 176.300 0.102 0.000 1.150 572 D CA -0.422 53.656 54.000 0.130 0.000 1.046 572 D CB -0.305 40.615 40.800 0.200 0.000 1.098 572 D HN 0.107 nan 8.370 nan 0.000 0.502 573 I N 1.920 122.535 120.570 0.074 0.000 2.248 573 I HA -0.227 3.944 4.170 0.002 0.000 0.248 573 I C 1.707 177.854 176.117 0.049 0.000 1.107 573 I CA 1.147 62.478 61.300 0.052 0.000 1.373 573 I CB -0.607 37.418 38.000 0.041 0.000 1.055 573 I HN 0.296 nan 8.210 nan 0.000 0.418 574 E N -0.110 120.124 120.200 0.057 0.000 2.489 574 E HA -0.046 4.305 4.350 0.002 0.000 0.193 574 E C -0.053 176.592 176.600 0.076 0.000 1.057 574 E CA 0.229 56.660 56.400 0.052 0.000 0.866 574 E CB -0.002 29.724 29.700 0.042 0.000 0.916 574 E HN 0.256 nan 8.360 nan 0.000 0.500 575 D N -0.325 120.140 120.400 0.108 0.000 2.934 575 D HA 0.059 4.700 4.640 0.002 0.000 0.249 575 D C -0.933 175.499 176.300 0.220 0.000 1.293 575 D CA -0.244 53.843 54.000 0.146 0.000 0.812 575 D CB 0.030 40.911 40.800 0.136 0.000 1.439 575 D HN -0.242 nan 8.370 nan 0.000 0.555 576 V N 2.210 122.225 119.914 0.169 0.000 3.185 576 V HA 0.617 4.739 4.120 0.002 0.000 0.305 576 V C 0.423 176.660 176.094 0.239 0.000 1.090 576 V CA 0.158 62.537 62.300 0.132 0.000 1.107 576 V CB 0.524 32.398 31.823 0.085 0.000 1.061 576 V HN 0.427 nan 8.190 nan 0.000 0.480 577 F N -0.149 119.867 119.950 0.110 0.000 2.770 577 F HA 0.641 5.170 4.527 0.002 0.000 0.313 577 F C -1.206 174.576 175.800 -0.030 0.000 1.154 577 F CA -1.473 56.550 58.000 0.039 0.000 0.923 577 F CB 0.972 39.979 39.000 0.012 0.000 1.301 577 F HN 0.234 nan 8.300 nan 0.000 0.449 578 I N 3.417 124.027 120.570 0.066 0.000 2.352 578 I HA 0.250 4.421 4.170 0.002 0.000 0.290 578 I C -1.327 174.750 176.117 -0.065 0.000 1.036 578 I CA -1.742 59.395 61.300 -0.272 0.000 1.336 578 I CB 1.515 39.400 38.000 -0.192 0.000 1.407 578 I HN 0.531 nan 8.210 nan 0.000 0.497 579 P HA -0.032 nan 4.420 nan 0.000 0.233 579 P C 0.114 177.398 177.300 -0.027 0.000 1.167 579 P CA 1.011 64.094 63.100 -0.029 0.000 0.770 579 P CB 0.765 32.361 31.700 -0.173 0.000 0.837 580 M N -0.164 119.368 119.600 -0.112 0.000 2.578 580 M HA 0.358 4.839 4.480 0.002 0.000 0.276 580 M C -2.368 173.895 176.300 -0.060 0.000 1.245 580 M CA -1.782 53.484 55.300 -0.057 0.000 0.871 580 M CB 3.171 35.745 32.600 -0.043 0.000 1.722 580 M HN -0.402 nan 8.290 nan 0.000 0.473 581 P HA 0.190 nan 4.420 nan 0.000 0.268 581 P C 0.092 177.380 177.300 -0.020 0.000 1.248 581 P CA 0.596 63.678 63.100 -0.030 0.000 0.851 581 P CB 0.610 32.297 31.700 -0.023 0.000 1.238 582 E N -0.095 120.100 120.200 -0.008 0.000 2.399 582 E HA 0.103 4.454 4.350 0.002 0.000 0.206 582 E C 0.815 177.427 176.600 0.020 0.000 0.812 582 E CA 0.032 56.434 56.400 0.003 0.000 1.138 582 E CB 0.421 30.125 29.700 0.006 0.000 1.140 582 E HN -0.020 nan 8.360 nan 0.000 0.536 583 N N 1.063 119.783 118.700 0.033 0.000 2.328 583 N HA 0.161 4.903 4.740 0.002 0.000 0.247 583 N C 1.135 176.704 175.510 0.098 0.000 1.165 583 N CA 0.038 53.125 53.050 0.062 0.000 0.873 583 N CB 1.043 39.570 38.487 0.067 0.000 1.125 583 N HN 0.220 nan 8.380 nan 0.000 0.513 584 L N -0.220 121.055 121.223 0.087 0.000 2.145 584 L HA 0.191 4.533 4.340 0.002 0.000 0.201 584 L C 0.668 177.628 176.870 0.150 0.000 1.075 584 L CA 0.846 55.774 54.840 0.147 0.000 0.773 584 L CB 0.150 42.273 42.059 0.107 0.000 0.936 584 L HN 0.067 nan 8.230 nan 0.000 0.451 585 L N 1.839 123.113 121.223 0.085 0.000 2.264 585 L HA 0.322 4.664 4.340 0.002 0.000 0.287 585 L C -0.424 176.479 176.870 0.055 0.000 1.039 585 L CA -0.576 54.298 54.840 0.057 0.000 0.829 585 L CB 1.474 43.539 42.059 0.009 0.000 1.211 585 L HN -0.072 nan 8.230 nan 0.000 0.427 586 V N 0.673 120.637 119.914 0.083 0.000 2.850 586 V HA 0.450 4.572 4.120 0.002 0.000 0.315 586 V C 0.093 176.227 176.094 0.068 0.000 1.064 586 V CA -0.976 61.372 62.300 0.080 0.000 0.979 586 V CB 1.896 33.788 31.823 0.115 0.000 1.039 586 V HN 0.729 nan 8.190 nan 0.000 0.452 587 N N 1.571 120.304 118.700 0.054 0.000 2.431 587 N HA 0.056 4.797 4.740 0.002 0.000 0.265 587 N C 0.657 176.210 175.510 0.072 0.000 1.184 587 N CA -0.098 52.980 53.050 0.047 0.000 0.943 587 N CB 1.222 39.728 38.487 0.033 0.000 1.080 587 N HN 0.894 nan 8.380 nan 0.000 0.477 588 L N 5.563 126.838 121.223 0.087 0.000 2.012 588 L HA -0.167 4.174 4.340 0.002 0.000 0.210 588 L C 2.031 178.953 176.870 0.086 0.000 1.073 588 L CA 1.773 56.680 54.840 0.111 0.000 0.748 588 L CB -0.683 41.461 42.059 0.141 0.000 0.891 588 L HN 0.704 nan 8.230 nan 0.000 0.431 589 N N -0.819 117.922 118.700 0.069 0.000 2.013 589 N HA -0.269 4.472 4.740 0.002 0.000 0.195 589 N C 1.785 177.323 175.510 0.047 0.000 1.051 589 N CA 1.872 54.955 53.050 0.055 0.000 0.851 589 N CB -0.121 38.393 38.487 0.045 0.000 1.044 589 N HN 0.485 nan 8.380 nan 0.000 0.422 590 E N -0.353 119.873 120.200 0.043 0.000 2.118 590 E HA -0.082 4.270 4.350 0.002 0.000 0.195 590 E C 0.940 177.566 176.600 0.044 0.000 0.992 590 E CA 1.040 57.463 56.400 0.038 0.000 0.804 590 E CB 0.086 29.806 29.700 0.033 0.000 0.741 590 E HN 0.271 nan 8.360 nan 0.000 0.458 591 S N 0.357 116.091 115.700 0.057 0.000 2.583 591 S HA 0.076 4.547 4.470 0.002 0.000 0.239 591 S C 1.044 175.686 174.600 0.069 0.000 0.966 591 S CA -0.271 57.967 58.200 0.064 0.000 0.973 591 S CB 0.375 63.624 63.200 0.082 0.000 0.794 591 S HN 0.100 nan 8.310 nan 0.000 0.463 592 K N 2.967 123.403 120.400 0.061 0.000 2.032 592 K HA -0.223 4.099 4.320 0.002 0.000 0.218 592 K C 1.785 178.409 176.600 0.040 0.000 1.054 592 K CA 1.901 58.221 56.287 0.056 0.000 0.941 592 K CB -0.211 32.315 32.500 0.043 0.000 0.720 592 K HN 0.195 nan 8.250 nan 0.000 0.449 593 E N 0.415 120.632 120.200 0.028 0.000 2.070 593 E HA -0.229 4.122 4.350 0.002 0.000 0.197 593 E C 2.232 178.838 176.600 0.010 0.000 1.004 593 E CA 1.706 58.113 56.400 0.013 0.000 0.805 593 E CB -0.395 29.311 29.700 0.011 0.000 0.744 593 E HN 0.396 nan 8.360 nan 0.000 0.451 594 L N 0.817 122.056 121.223 0.026 0.000 2.012 594 L HA -0.182 4.159 4.340 0.002 0.000 0.210 594 L C 2.800 179.680 176.870 0.017 0.000 1.073 594 L CA 1.517 56.374 54.840 0.028 0.000 0.748 594 L CB -0.770 41.320 42.059 0.052 0.000 0.891 594 L HN 0.108 nan 8.230 nan 0.000 0.431 595 V N -3.304 116.636 119.914 0.043 0.000 2.667 595 V HA -0.211 3.910 4.120 0.002 0.000 0.252 595 V C 2.130 178.181 176.094 -0.073 0.000 1.065 595 V CA 1.161 63.473 62.300 0.019 0.000 1.083 595 V CB -0.610 31.325 31.823 0.185 0.000 0.692 595 V HN 0.473 nan 8.190 nan 0.000 0.468 596 Q N 0.438 120.216 119.800 -0.038 0.000 2.124 596 Q HA -0.188 4.153 4.340 0.002 0.000 0.202 596 Q C 2.099 178.039 176.000 -0.100 0.000 0.977 596 Q CA 2.041 57.804 55.803 -0.066 0.000 0.850 596 Q CB -0.241 28.474 28.738 -0.038 0.000 0.901 596 Q HN 0.736 nan 8.270 nan 0.000 0.429 597 D N 0.603 120.952 120.400 -0.084 0.000 2.117 597 D HA -0.141 4.500 4.640 0.002 0.000 0.198 597 D C 1.921 178.140 176.300 -0.135 0.000 0.982 597 D CA 0.676 54.621 54.000 -0.091 0.000 0.828 597 D CB -0.145 40.620 40.800 -0.060 0.000 0.967 597 D HN 0.139 nan 8.370 nan 0.000 0.464 598 L N 0.980 122.101 121.223 -0.170 0.000 2.131 598 L HA -0.088 4.254 4.340 0.002 0.000 0.210 598 L C 2.087 178.746 176.870 -0.352 0.000 1.092 598 L CA 1.271 55.955 54.840 -0.259 0.000 0.759 598 L CB -0.526 41.335 42.059 -0.329 0.000 0.903 598 L HN -0.021 nan 8.230 nan 0.000 0.435 599 L N -1.017 119.995 121.223 -0.352 0.000 2.217 599 L HA -0.144 4.197 4.340 0.002 0.000 0.211 599 L C 2.295 179.007 176.870 -0.264 0.000 1.107 599 L CA 0.992 55.621 54.840 -0.351 0.000 0.783 599 L CB -0.368 41.515 42.059 -0.293 0.000 0.919 599 L HN 0.275 nan 8.230 nan 0.000 0.442 600 K N -1.107 119.170 120.400 -0.205 0.000 2.314 600 K HA 0.019 4.340 4.320 0.002 0.000 0.198 600 K C 1.823 178.325 176.600 -0.163 0.000 1.045 600 K CA 0.902 57.088 56.287 -0.168 0.000 0.988 600 K CB 0.211 32.634 32.500 -0.128 0.000 0.783 600 K HN 0.198 nan 8.250 nan 0.000 0.484 601 T N 1.403 115.855 114.554 -0.170 0.000 3.010 601 T HA 0.083 4.435 4.350 0.002 0.000 0.252 601 T C 1.796 176.398 174.700 -0.163 0.000 1.047 601 T CA 0.196 62.206 62.100 -0.150 0.000 1.140 601 T CB 0.020 68.814 68.868 -0.123 0.000 0.885 601 T HN 0.033 nan 8.240 nan 0.000 0.464 602 L N 1.156 122.265 121.223 -0.190 0.000 1.997 602 L HA -0.124 4.217 4.340 0.002 0.000 0.216 602 L C -0.618 176.200 176.870 -0.087 0.000 1.074 602 L CA 1.869 56.630 54.840 -0.133 0.000 0.763 602 L CB -1.306 40.622 42.059 -0.218 0.000 0.890 602 L HN 0.182 nan 8.230 nan 0.000 0.434 603 P HA -0.203 nan 4.420 nan 0.000 0.218 603 P C 1.018 178.240 177.300 -0.131 0.000 1.146 603 P CA 1.338 64.328 63.100 -0.184 0.000 0.813 603 P CB -0.019 31.533 31.700 -0.246 0.000 0.778 604 Q N -1.877 117.833 119.800 -0.149 0.000 2.424 604 Q HA 0.160 4.502 4.340 0.002 0.000 0.204 604 Q C 1.679 177.548 176.000 -0.219 0.000 0.933 604 Q CA 0.500 56.209 55.803 -0.156 0.000 0.929 604 Q CB -0.307 28.345 28.738 -0.144 0.000 1.037 604 Q HN 0.335 nan 8.270 nan 0.000 0.511 605 M N -0.447 118.947 119.600 -0.344 0.000 2.659 605 M HA 0.060 4.541 4.480 0.002 0.000 0.243 605 M C 0.023 175.656 176.300 -1.112 0.000 1.111 605 M CA 1.068 55.926 55.300 -0.736 0.000 1.070 605 M CB 0.399 32.400 32.600 -0.998 0.000 1.525 605 M HN 0.156 nan 8.290 nan 0.000 0.517 606 F N -2.386 117.530 119.950 -0.057 0.000 2.880 606 F HA 0.191 4.719 4.527 0.002 0.000 0.328 606 F C 1.714 177.482 175.800 -0.054 0.000 1.146 606 F CA -0.234 57.740 58.000 -0.043 0.000 1.135 606 F CB -0.659 38.326 39.000 -0.026 0.000 1.151 606 F HN -0.059 nan 8.300 nan 0.000 0.523 607 T N -0.051 114.514 114.554 0.018 0.000 2.760 607 T HA -0.261 4.090 4.350 0.002 0.000 0.269 607 T C 1.200 175.902 174.700 0.004 0.000 1.047 607 T CA 1.568 63.665 62.100 -0.006 0.000 1.139 607 T CB -0.413 68.425 68.868 -0.051 0.000 0.855 607 T HN 0.349 nan 8.240 nan 0.000 0.471 608 K N 1.721 122.118 120.400 -0.005 0.000 2.832 608 K HA 0.299 4.620 4.320 0.002 0.000 0.211 608 K C -0.326 176.266 176.600 -0.013 0.000 1.112 608 K CA -0.263 56.013 56.287 -0.019 0.000 1.108 608 K CB 0.381 32.861 32.500 -0.033 0.000 0.899 608 K HN 0.065 nan 8.250 nan 0.000 0.464 609 T N 1.019 115.587 114.554 0.024 0.000 2.910 609 T HA 0.200 4.552 4.350 0.002 0.000 0.293 609 T C 0.767 175.429 174.700 -0.063 0.000 1.015 609 T CA -0.299 61.823 62.100 0.037 0.000 1.094 609 T CB 1.240 70.187 68.868 0.132 0.000 0.968 609 T HN 0.273 nan 8.240 nan 0.000 0.521 610 L N 0.992 122.195 121.223 -0.034 0.000 2.906 610 L HA 0.197 4.538 4.340 0.002 0.000 0.255 610 L C 0.520 177.404 176.870 0.022 0.000 1.166 610 L CA -0.007 54.791 54.840 -0.070 0.000 0.977 610 L CB 0.462 42.493 42.059 -0.047 0.000 1.313 610 L HN 0.553 nan 8.230 nan 0.000 0.549 611 E N 0.687 120.928 120.200 0.067 0.000 1.939 611 E HA -0.051 4.300 4.350 0.002 0.000 0.259 611 E C 1.045 177.715 176.600 0.116 0.000 1.259 611 E CA 0.168 56.622 56.400 0.090 0.000 0.971 611 E CB 1.000 30.758 29.700 0.096 0.000 1.055 611 E HN 0.010 nan 8.360 nan 0.000 0.420 612 T N 2.438 117.061 114.554 0.116 0.000 2.985 612 T HA -0.059 4.292 4.350 0.002 0.000 0.266 612 T C 0.671 175.424 174.700 0.088 0.000 1.076 612 T CA 0.987 63.166 62.100 0.131 0.000 1.135 612 T CB 0.350 69.294 68.868 0.126 0.000 0.890 612 T HN 0.343 nan 8.240 nan 0.000 0.480 613 Q N 0.642 120.487 119.800 0.076 0.000 2.193 613 Q HA 0.576 4.917 4.340 0.002 0.000 0.246 613 Q C -1.023 175.017 176.000 0.067 0.000 0.959 613 Q CA -0.508 55.336 55.803 0.068 0.000 0.904 613 Q CB 1.840 30.618 28.738 0.066 0.000 1.238 613 Q HN 0.138 nan 8.270 nan 0.000 0.469 614 S N -0.374 115.374 115.700 0.080 0.000 2.672 614 S HA 0.549 5.020 4.470 0.002 0.000 0.291 614 S C -1.143 173.557 174.600 0.167 0.000 1.145 614 S CA -0.490 57.783 58.200 0.123 0.000 1.013 614 S CB 1.145 64.411 63.200 0.111 0.000 1.017 614 S HN 0.634 nan 8.310 nan 0.000 0.487 615 A N 5.108 128.053 122.820 0.209 0.000 3.258 615 A HA 0.317 4.638 4.320 0.002 0.000 0.275 615 A C 1.251 178.903 177.584 0.113 0.000 1.452 615 A CA -0.399 51.716 52.037 0.130 0.000 1.120 615 A CB -0.661 18.390 19.000 0.084 0.000 1.107 615 A HN 0.958 nan 8.150 nan 0.000 0.651 616 L N 0.625 121.965 121.223 0.196 0.000 2.089 616 L HA -0.156 4.186 4.340 0.002 0.000 0.213 616 L C 2.147 179.032 176.870 0.025 0.000 1.079 616 L CA 2.623 57.512 54.840 0.083 0.000 0.758 616 L CB -0.714 41.485 42.059 0.233 0.000 0.891 616 L HN 0.448 nan 8.230 nan 0.000 0.433 617 G N -0.590 108.249 108.800 0.065 0.000 2.511 617 G HA2 -0.236 3.725 3.960 0.002 0.000 0.216 617 G HA3 -0.236 3.725 3.960 0.002 0.000 0.216 617 G C -0.529 174.407 174.900 0.060 0.000 1.218 617 G CA 0.990 46.098 45.100 0.013 0.000 0.788 617 G HN 0.389 nan 8.290 nan 0.000 0.560 618 P HA -0.035 nan 4.420 nan 0.000 0.216 618 P C 2.226 179.491 177.300 -0.058 0.000 1.150 618 P CA 2.002 65.101 63.100 -0.002 0.000 0.837 618 P CB -0.158 31.534 31.700 -0.013 0.000 0.786 619 A N -0.390 122.310 122.820 -0.201 0.000 1.883 619 A HA -0.197 4.124 4.320 0.002 0.000 0.217 619 A C 2.190 179.604 177.584 -0.285 0.000 1.186 619 A CA 1.605 53.389 52.037 -0.421 0.000 0.624 619 A CB -1.730 16.587 19.000 -1.138 0.000 0.822 619 A HN 0.117 nan 8.150 nan 0.000 0.444 620 L N -1.016 120.102 121.223 -0.175 0.000 2.191 620 L HA -0.237 4.104 4.340 0.002 0.000 0.212 620 L C 2.819 179.730 176.870 0.067 0.000 1.103 620 L CA 1.390 56.211 54.840 -0.032 0.000 0.769 620 L CB -0.551 41.552 42.059 0.074 0.000 0.908 620 L HN 0.526 nan 8.230 nan 0.000 0.438 621 Q N -0.454 119.404 119.800 0.097 0.000 2.172 621 Q HA -0.128 4.214 4.340 0.002 0.000 0.200 621 Q C 2.437 178.556 176.000 0.198 0.000 0.964 621 Q CA 1.395 57.303 55.803 0.175 0.000 0.855 621 Q CB -0.102 28.737 28.738 0.169 0.000 0.918 621 Q HN 0.555 nan 8.270 nan 0.000 0.444 622 A N 0.976 123.858 122.820 0.103 0.000 1.872 622 A HA -0.040 4.281 4.320 0.002 0.000 0.214 622 A C 2.301 179.966 177.584 0.135 0.000 1.187 622 A CA 1.320 53.443 52.037 0.144 0.000 0.614 622 A CB -0.801 18.246 19.000 0.078 0.000 0.826 622 A HN 0.375 nan 8.150 nan 0.000 0.442 623 A N -0.952 121.894 122.820 0.044 0.000 1.948 623 A HA -0.137 4.184 4.320 0.002 0.000 0.220 623 A C 2.031 179.671 177.584 0.093 0.000 1.177 623 A CA 1.860 53.924 52.037 0.045 0.000 0.636 623 A CB -0.736 18.260 19.000 -0.006 0.000 0.815 623 A HN 0.805 nan 8.150 nan 0.000 0.449 624 F N 0.480 120.433 119.950 0.005 0.000 2.128 624 F HA -0.033 4.496 4.527 0.002 0.000 0.295 624 F C 2.031 177.841 175.800 0.017 0.000 1.100 624 F CA 1.901 59.901 58.000 0.001 0.000 1.260 624 F CB -0.292 38.696 39.000 -0.020 0.000 1.009 624 F HN 0.109 nan 8.300 nan 0.000 0.476 625 K N -0.010 120.199 120.400 -0.318 0.000 2.097 625 K HA -0.160 4.161 4.320 0.002 0.000 0.206 625 K C 1.966 178.412 176.600 -0.257 0.000 1.049 625 K CA 1.459 57.520 56.287 -0.377 0.000 0.933 625 K CB -0.550 31.910 32.500 -0.066 0.000 0.717 625 K HN 0.279 nan 8.250 nan 0.000 0.442 626 L N 0.711 121.876 121.223 -0.096 0.000 2.141 626 L HA -0.082 4.259 4.340 0.002 0.000 0.209 626 L C 1.845 178.657 176.870 -0.097 0.000 1.094 626 L CA 1.677 56.493 54.840 -0.040 0.000 0.763 626 L CB -0.073 42.054 42.059 0.112 0.000 0.908 626 L HN 0.178 nan 8.230 nan 0.000 0.437 627 M N -2.562 116.949 119.600 -0.147 0.000 2.516 627 M HA -0.024 4.458 4.480 0.002 0.000 0.259 627 M C 2.255 178.439 176.300 -0.195 0.000 1.146 627 M CA 0.666 55.886 55.300 -0.134 0.000 1.122 627 M CB 0.106 32.665 32.600 -0.067 0.000 1.341 627 M HN 0.270 nan 8.290 nan 0.000 0.478 628 S N 1.571 117.037 115.700 -0.390 0.000 2.393 628 S HA -0.164 4.308 4.470 0.002 0.000 0.234 628 S C -0.788 173.704 174.600 -0.181 0.000 1.064 628 S CA 1.959 59.919 58.200 -0.400 0.000 1.088 628 S CB -1.057 61.749 63.200 -0.656 0.000 0.939 628 S HN 0.214 nan 8.310 nan 0.000 0.448 629 P HA -0.060 nan 4.420 nan 0.000 0.217 629 P C 1.497 178.748 177.300 -0.082 0.000 1.148 629 P CA 2.150 65.189 63.100 -0.101 0.000 0.828 629 P CB -0.153 31.491 31.700 -0.093 0.000 0.783 630 T N -6.837 107.661 114.554 -0.092 0.000 2.964 630 T HA 0.484 4.835 4.350 0.002 0.000 0.250 630 T C 0.929 175.576 174.700 -0.088 0.000 0.982 630 T CA 0.448 62.491 62.100 -0.094 0.000 0.959 630 T CB -0.193 68.601 68.868 -0.123 0.000 1.141 630 T HN 0.290 nan 8.240 nan 0.000 0.494 631 G N -0.086 108.672 108.800 -0.071 0.000 2.796 631 G HA2 0.396 4.358 3.960 0.002 0.000 0.571 631 G HA3 0.396 4.358 3.960 0.002 0.000 0.571 631 G C 0.141 175.010 174.900 -0.051 0.000 1.370 631 G CA -0.335 44.753 45.100 -0.021 0.000 0.856 631 G HN 1.941 nan 8.290 nan 0.000 0.538 632 G N -1.034 107.797 108.800 0.053 0.000 2.291 632 G HA2 0.531 4.492 3.960 0.002 0.000 0.249 632 G HA3 0.531 4.492 3.960 0.002 0.000 0.249 632 G C -0.526 174.503 174.900 0.215 0.000 1.340 632 G CA 0.426 45.582 45.100 0.094 0.000 1.017 632 G HN 1.302 nan 8.290 nan 0.000 0.470 633 R N 0.112 120.744 120.500 0.221 0.000 2.338 633 R HA 0.679 5.020 4.340 0.002 0.000 0.317 633 R C -0.389 175.960 176.300 0.083 0.000 0.968 633 R CA -0.719 55.506 56.100 0.207 0.000 0.849 633 R CB 1.078 31.567 30.300 0.315 0.000 1.128 633 R HN 0.645 nan 8.270 nan 0.000 0.448 634 M N 3.794 123.440 119.600 0.077 0.000 2.044 634 M HA 0.290 4.771 4.480 0.002 0.000 0.333 634 M C -1.269 175.074 176.300 0.072 0.000 1.004 634 M CA -0.219 55.093 55.300 0.021 0.000 0.954 634 M CB 1.453 34.080 32.600 0.045 0.000 1.468 634 M HN 0.453 nan 8.290 nan 0.000 0.414 635 S N 3.803 119.524 115.700 0.034 0.000 2.465 635 S HA 0.496 4.967 4.470 0.002 0.000 0.279 635 S C -0.513 174.273 174.600 0.311 0.000 1.201 635 S CA -0.682 57.681 58.200 0.271 0.000 1.053 635 S CB 0.984 64.469 63.200 0.476 0.000 0.953 635 S HN 0.587 nan 8.310 nan 0.000 0.488 636 V N 4.616 124.663 119.914 0.222 0.000 2.448 636 V HA 0.471 4.593 4.120 0.002 0.000 0.295 636 V C -0.971 175.222 176.094 0.165 0.000 1.025 636 V CA -0.625 61.825 62.300 0.249 0.000 0.859 636 V CB 0.943 32.841 31.823 0.124 0.000 0.988 636 V HN 0.819 nan 8.190 nan 0.000 0.431 637 F N 3.724 123.872 119.950 0.329 0.000 2.382 637 F HA 0.623 5.151 4.527 0.002 0.000 0.361 637 F C 0.161 176.010 175.800 0.082 0.000 1.109 637 F CA -0.458 57.656 58.000 0.189 0.000 1.031 637 F CB 1.672 40.799 39.000 0.211 0.000 1.234 637 F HN 0.416 nan 8.300 nan 0.000 0.445 638 Q N 1.297 121.158 119.800 0.102 0.000 2.342 638 Q HA 0.446 4.787 4.340 0.002 0.000 0.267 638 Q C 0.332 176.310 176.000 -0.037 0.000 1.038 638 Q CA -0.458 55.391 55.803 0.077 0.000 0.832 638 Q CB 2.018 30.825 28.738 0.114 0.000 1.323 638 Q HN 0.644 nan 8.270 nan 0.000 0.448 639 T N -0.233 114.302 114.554 -0.032 0.000 3.003 639 T HA 0.228 4.579 4.350 0.002 0.000 0.261 639 T C 0.156 174.859 174.700 0.005 0.000 1.003 639 T CA 0.183 62.264 62.100 -0.032 0.000 0.917 639 T CB 0.158 69.017 68.868 -0.016 0.000 1.084 639 T HN 0.629 nan 8.240 nan 0.000 0.522 640 Q N 0.215 120.020 119.800 0.008 0.000 2.648 640 Q HA 0.481 4.822 4.340 0.002 0.000 0.300 640 Q C -1.414 174.581 176.000 -0.008 0.000 0.954 640 Q CA -1.070 54.737 55.803 0.007 0.000 0.757 640 Q CB 1.248 29.996 28.738 0.016 0.000 1.482 640 Q HN 0.259 nan 8.270 nan 0.000 0.437 641 L N 2.146 123.355 121.223 -0.023 0.000 2.540 641 L HA 0.191 4.532 4.340 0.002 0.000 0.276 641 L C -2.133 174.741 176.870 0.007 0.000 1.212 641 L CA -1.276 53.535 54.840 -0.049 0.000 0.893 641 L CB 0.674 42.715 42.059 -0.031 0.000 1.138 641 L HN 0.530 nan 8.230 nan 0.000 0.491 642 P HA 0.157 nan 4.420 nan 0.000 0.282 642 P C -0.179 177.155 177.300 0.057 0.000 1.262 642 P CA -0.174 62.968 63.100 0.068 0.000 0.773 642 P CB 1.016 32.783 31.700 0.111 0.000 0.879 643 T N -0.143 114.445 114.554 0.056 0.000 3.041 643 T HA 0.264 4.615 4.350 0.002 0.000 0.276 643 T C 0.033 174.752 174.700 0.032 0.000 0.948 643 T CA -0.057 62.069 62.100 0.043 0.000 0.885 643 T CB -0.119 68.778 68.868 0.048 0.000 1.175 643 T HN 0.127 nan 8.240 nan 0.000 0.529 644 L N 2.263 123.508 121.223 0.036 0.000 2.322 644 L HA 0.757 5.098 4.340 0.002 0.000 0.281 644 L C 0.504 177.372 176.870 -0.004 0.000 1.014 644 L CA 1.035 55.891 54.840 0.026 0.000 0.815 644 L CB 0.894 42.983 42.059 0.050 0.000 1.247 644 L HN 0.614 nan 8.230 nan 0.000 0.421 645 G N 2.545 111.331 108.800 -0.024 0.000 2.796 645 G HA2 -0.165 3.796 3.960 0.002 0.000 0.226 645 G HA3 -0.165 3.796 3.960 0.002 0.000 0.226 645 G C -0.468 174.344 174.900 -0.147 0.000 1.381 645 G CA -0.511 44.553 45.100 -0.061 0.000 0.867 645 G HN 1.083 nan 8.290 nan 0.000 0.552 646 V N 1.125 120.911 119.914 -0.212 0.000 2.814 646 V HA 0.403 4.524 4.120 0.002 0.000 0.307 646 V C 1.946 177.579 176.094 -0.768 0.000 1.089 646 V CA 2.805 64.857 62.300 -0.413 0.000 1.212 646 V CB 0.756 32.361 31.823 -0.363 0.000 0.912 646 V HN 3.008 nan 8.190 nan 0.000 0.497 647 G N 3.786 112.005 108.800 -0.969 0.000 2.176 647 G HA2 -0.095 3.866 3.960 0.002 0.000 0.253 647 G HA3 -0.095 3.866 3.960 0.002 0.000 0.253 647 G C 0.442 175.192 174.900 -0.250 0.000 0.979 647 G CA 0.156 44.625 45.100 -1.052 0.000 0.641 647 G HN 2.040 nan 8.290 nan 0.000 0.530 648 A N 0.126 122.840 122.820 -0.176 0.000 2.477 648 A HA 0.666 4.988 4.320 0.002 0.000 0.246 648 A C 0.457 178.054 177.584 0.023 0.000 1.078 648 A CA 0.398 52.417 52.037 -0.030 0.000 0.770 648 A CB 0.256 19.235 19.000 -0.034 0.000 1.011 648 A HN 0.984 nan 8.150 nan 0.000 0.494 649 L N 2.410 123.670 121.223 0.063 0.000 2.342 649 L HA 0.451 4.792 4.340 0.002 0.000 0.271 649 L C 0.063 176.983 176.870 0.082 0.000 1.008 649 L CA -1.200 53.688 54.840 0.080 0.000 0.818 649 L CB 1.535 43.638 42.059 0.074 0.000 1.296 649 L HN 0.535 nan 8.230 nan 0.000 0.427 650 K N 1.647 122.110 120.400 0.105 0.000 2.154 650 K HA 0.444 4.765 4.320 0.002 0.000 0.264 650 K C -2.359 174.361 176.600 0.201 0.000 1.008 650 K CA -1.861 54.496 56.287 0.117 0.000 0.937 650 K CB 0.568 33.124 32.500 0.094 0.000 1.002 650 K HN 0.202 nan 8.250 nan 0.000 0.469 651 P HA 0.316 nan 4.420 nan 0.000 0.274 651 P C -0.731 176.655 177.300 0.143 0.000 1.237 651 P CA -0.412 62.844 63.100 0.260 0.000 0.793 651 P CB 0.670 32.462 31.700 0.153 0.000 0.977 652 R N 0.441 120.887 120.500 -0.091 0.000 2.725 652 R HA 0.314 4.655 4.340 0.002 0.000 0.277 652 R C -0.782 175.282 176.300 -0.394 0.000 0.987 652 R CA -0.677 55.185 56.100 -0.395 0.000 0.901 652 R CB 1.514 31.289 30.300 -0.875 0.000 1.207 652 R HN 0.391 nan 8.270 nan 0.000 0.463 653 E N 2.366 122.424 120.200 -0.236 0.000 2.194 653 E HA 0.060 4.411 4.350 0.002 0.000 0.284 653 E C -0.650 175.849 176.600 -0.170 0.000 1.035 653 E CA -0.454 55.854 56.400 -0.155 0.000 0.836 653 E CB 0.807 30.459 29.700 -0.081 0.000 1.070 653 E HN 0.380 nan 8.360 nan 0.000 0.401 654 E N 4.467 124.588 120.200 -0.132 0.000 2.414 654 E HA 0.079 4.430 4.350 0.002 0.000 0.263 654 E C -1.977 174.595 176.600 -0.047 0.000 1.000 654 E CA -1.191 55.157 56.400 -0.087 0.000 0.914 654 E CB 0.263 29.947 29.700 -0.027 0.000 0.948 654 E HN 0.459 nan 8.360 nan 0.000 0.444 655 P HA 0.090 nan 4.420 nan 0.000 0.282 655 P C -0.634 176.678 177.300 0.020 0.000 1.286 655 P CA -0.270 62.822 63.100 -0.013 0.000 0.777 655 P CB 0.552 32.245 31.700 -0.012 0.000 1.184 656 N N -2.309 116.411 118.700 0.033 0.000 2.647 656 N HA 0.142 4.883 4.740 0.002 0.000 0.266 656 N C 0.784 176.358 175.510 0.107 0.000 1.373 656 N CA -0.720 52.397 53.050 0.111 0.000 0.807 656 N CB -0.106 38.463 38.487 0.136 0.000 1.513 656 N HN 0.436 nan 8.380 nan 0.000 0.505 657 H N -0.776 118.294 119.070 0.000 0.000 2.492 657 H HA -0.049 4.508 4.556 0.002 0.000 0.296 657 H C 1.324 176.652 175.328 0.000 0.000 1.095 657 H CA 1.491 57.539 56.048 0.001 0.000 1.281 657 H CB -0.050 29.713 29.762 0.002 0.000 1.374 657 H HN 0.661 nan 8.280 nan 0.000 0.545 658 R N 1.708 121.873 120.500 -0.559 0.000 2.056 658 R HA -0.040 4.302 4.340 0.002 0.000 0.227 658 R C 0.853 177.049 176.300 -0.173 0.000 1.149 658 R CA 0.999 56.844 56.100 -0.425 0.000 0.937 658 R CB -0.107 29.948 30.300 -0.408 0.000 0.835 658 R HN 0.400 nan 8.270 nan 0.000 0.430 659 S N 1.082 116.714 115.700 -0.113 0.000 2.642 659 S HA -0.068 4.403 4.470 0.002 0.000 0.308 659 S C 0.472 175.046 174.600 -0.043 0.000 1.255 659 S CA -0.129 58.034 58.200 -0.061 0.000 1.057 659 S CB 0.508 63.685 63.200 -0.040 0.000 0.785 659 S HN 0.445 nan 8.310 nan 0.000 0.500 660 S N 2.623 118.303 115.700 -0.033 0.000 2.562 660 S HA 0.507 4.978 4.470 0.002 0.000 0.256 660 S C 0.793 175.388 174.600 -0.008 0.000 1.248 660 S CA -0.469 57.720 58.200 -0.020 0.000 0.988 660 S CB -0.134 63.056 63.200 -0.016 0.000 1.035 660 S HN 1.575 nan 8.310 nan 0.000 0.548 661 A N 0.230 123.050 122.820 0.000 0.000 3.105 661 A HA 0.364 4.685 4.320 0.002 0.000 0.272 661 A C 0.414 178.004 177.584 0.010 0.000 1.466 661 A CA -0.612 51.431 52.037 0.010 0.000 1.101 661 A CB -0.831 18.179 19.000 0.017 0.000 1.065 661 A HN 0.627 nan 8.150 nan 0.000 0.643 667 T N 1.772 116.355 114.554 0.049 0.000 2.813 667 T HA 0.533 4.885 4.350 0.002 0.000 0.297 667 T C -2.588 172.154 174.700 0.070 0.000 1.036 667 T CA -1.016 61.119 62.100 0.058 0.000 1.044 667 T CB 0.440 69.343 68.868 0.058 0.000 0.993 667 T HN -0.042 nan 8.240 nan 0.000 0.535 668 P HA 0.233 nan 4.420 nan 0.000 0.276 668 P C 0.530 177.889 177.300 0.099 0.000 1.230 668 P CA -0.544 62.614 63.100 0.098 0.000 0.776 668 P CB 0.760 32.530 31.700 0.118 0.000 0.888 669 S N 0.104 115.872 115.700 0.112 0.000 2.593 669 S HA 0.137 4.608 4.470 0.002 0.000 0.217 669 S C 0.689 175.350 174.600 0.101 0.000 0.966 669 S CA 0.280 58.542 58.200 0.103 0.000 0.914 669 S CB -0.390 62.879 63.200 0.115 0.000 0.776 669 S HN 0.578 nan 8.310 nan 0.000 0.523 670 T N 0.841 115.469 114.554 0.124 0.000 2.769 670 T HA 0.358 4.709 4.350 0.002 0.000 0.306 670 T C -1.384 173.394 174.700 0.131 0.000 1.400 670 T CA -0.213 61.958 62.100 0.118 0.000 1.007 670 T CB 1.579 70.524 68.868 0.129 0.000 1.392 670 T HN 0.157 nan 8.240 nan 0.000 0.500 671 D N 0.889 121.348 120.400 0.097 0.000 2.433 671 D HA 0.050 4.691 4.640 0.002 0.000 0.211 671 D C 1.529 177.842 176.300 0.021 0.000 1.114 671 D CA -0.166 53.870 54.000 0.061 0.000 0.837 671 D CB -0.196 40.611 40.800 0.012 0.000 0.984 671 D HN 0.419 nan 8.370 nan 0.000 0.505 672 F N 2.006 121.873 119.950 -0.138 0.000 2.063 672 F HA -0.324 4.204 4.527 0.002 0.000 0.298 672 F C 1.583 177.184 175.800 -0.331 0.000 1.105 672 F CA 1.781 59.605 58.000 -0.293 0.000 1.215 672 F CB -0.443 38.273 39.000 -0.473 0.000 0.972 672 F HN -0.163 nan 8.300 nan 0.000 0.483 673 Y N 0.415 120.710 120.300 -0.008 0.000 2.421 673 Y HA -0.137 4.415 4.550 0.002 0.000 0.292 673 Y C 2.499 178.325 175.900 -0.123 0.000 1.136 673 Y CA 1.564 59.602 58.100 -0.104 0.000 1.255 673 Y CB -0.800 37.699 38.460 0.065 0.000 0.991 673 Y HN 0.169 nan 8.280 nan 0.000 0.552 674 K N 0.966 121.382 120.400 0.027 0.000 2.076 674 K HA -0.138 4.183 4.320 0.002 0.000 0.204 674 K C 1.772 178.259 176.600 -0.190 0.000 1.051 674 K CA 1.163 57.440 56.287 -0.016 0.000 0.949 674 K CB -0.030 32.435 32.500 -0.058 0.000 0.726 674 K HN 0.205 nan 8.250 nan 0.000 0.443 675 K N 0.708 120.953 120.400 -0.257 0.000 2.026 675 K HA -0.149 4.172 4.320 0.002 0.000 0.208 675 K C 2.157 178.518 176.600 -0.398 0.000 1.048 675 K CA 1.206 57.304 56.287 -0.315 0.000 0.929 675 K CB -0.270 32.050 32.500 -0.300 0.000 0.713 675 K HN 0.075 nan 8.250 nan 0.000 0.439 676 L N 1.353 122.259 121.223 -0.529 0.000 2.042 676 L HA -0.178 4.164 4.340 0.002 0.000 0.210 676 L C 2.194 178.824 176.870 -0.400 0.000 1.076 676 L CA 1.846 56.342 54.840 -0.572 0.000 0.749 676 L CB -0.754 40.880 42.059 -0.707 0.000 0.893 676 L HN 0.158 nan 8.230 nan 0.000 0.432 677 A N -0.625 122.049 122.820 -0.243 0.000 1.902 677 A HA -0.173 4.148 4.320 0.002 0.000 0.217 677 A C 2.239 179.712 177.584 -0.185 0.000 1.181 677 A CA 1.961 53.924 52.037 -0.123 0.000 0.623 677 A CB -0.865 18.157 19.000 0.037 0.000 0.818 677 A HN 0.511 nan 8.150 nan 0.000 0.443 678 L N -0.767 120.288 121.223 -0.279 0.000 2.083 678 L HA -0.205 4.136 4.340 0.002 0.000 0.209 678 L C 2.085 178.719 176.870 -0.392 0.000 1.083 678 L CA 1.660 56.239 54.840 -0.435 0.000 0.752 678 L CB -0.792 40.965 42.059 -0.505 0.000 0.899 678 L HN 0.324 nan 8.230 nan 0.000 0.433 679 D N -0.558 119.602 120.400 -0.400 0.000 2.097 679 D HA -0.158 4.484 4.640 0.002 0.000 0.197 679 D C 2.281 178.378 176.300 -0.338 0.000 0.984 679 D CA 1.284 55.017 54.000 -0.446 0.000 0.826 679 D CB -0.169 40.188 40.800 -0.739 0.000 0.973 679 D HN 0.274 nan 8.370 nan 0.000 0.460 680 C N -0.231 118.875 119.300 -0.324 0.000 2.413 680 C HA -0.142 4.319 4.460 0.002 0.000 0.276 680 C C 2.936 177.948 174.990 0.038 0.000 1.236 680 C CA 1.021 60.037 59.018 -0.003 0.000 1.735 680 C CB -0.997 26.749 27.740 0.010 0.000 2.031 680 C HN 0.350 nan 8.230 nan 0.000 0.474 681 S N 0.499 116.167 115.700 -0.053 0.000 2.372 681 S HA -0.146 4.325 4.470 0.002 0.000 0.227 681 S C 1.902 176.489 174.600 -0.022 0.000 1.044 681 S CA 2.002 60.182 58.200 -0.034 0.000 1.050 681 S CB -0.612 62.512 63.200 -0.127 0.000 0.901 681 S HN 0.704 nan 8.310 nan 0.000 0.447 682 G N -0.307 108.447 108.800 -0.077 0.000 2.559 682 G HA2 -0.059 3.902 3.960 0.002 0.000 0.216 682 G HA3 -0.059 3.902 3.960 0.002 0.000 0.216 682 G C 1.187 176.113 174.900 0.044 0.000 1.126 682 G CA 0.299 45.382 45.100 -0.029 0.000 0.778 682 G HN 0.501 nan 8.290 nan 0.000 0.543 683 Q N -0.358 119.498 119.800 0.094 0.000 2.179 683 Q HA 0.114 4.455 4.340 0.002 0.000 0.213 683 Q C 0.352 176.405 176.000 0.088 0.000 0.833 683 Q CA -0.082 55.788 55.803 0.112 0.000 0.990 683 Q CB 0.737 29.598 28.738 0.204 0.000 1.132 683 Q HN 0.370 nan 8.270 nan 0.000 0.493 684 Q N -0.944 118.909 119.800 0.088 0.000 2.502 684 Q HA -0.125 4.216 4.340 0.002 0.000 0.273 684 Q C -0.697 175.375 176.000 0.120 0.000 1.127 684 Q CA 0.425 56.287 55.803 0.099 0.000 0.952 684 Q CB -2.594 26.196 28.738 0.087 0.000 1.333 684 Q HN 0.128 nan 8.270 nan 0.000 0.494 685 V N 0.199 120.187 119.914 0.124 0.000 2.357 685 V HA 0.797 4.919 4.120 0.002 0.000 0.284 685 V C 0.405 176.572 176.094 0.123 0.000 1.018 685 V CA -0.161 62.219 62.300 0.134 0.000 0.841 685 V CB 1.759 33.684 31.823 0.171 0.000 0.991 685 V HN 0.370 nan 8.190 nan 0.000 0.437 686 A N 4.966 127.863 122.820 0.128 0.000 2.325 686 A HA 0.902 5.223 4.320 0.002 0.000 0.333 686 A C -0.713 176.935 177.584 0.107 0.000 1.155 686 A CA -0.561 51.544 52.037 0.112 0.000 0.814 686 A CB 1.578 20.648 19.000 0.117 0.000 1.206 686 A HN 0.656 nan 8.150 nan 0.000 0.482 687 V N 2.382 122.346 119.914 0.083 0.000 2.487 687 V HA 0.346 4.467 4.120 0.002 0.000 0.298 687 V C -1.049 175.077 176.094 0.052 0.000 1.028 687 V CA -0.772 61.570 62.300 0.071 0.000 0.860 687 V CB 1.755 33.606 31.823 0.047 0.000 0.991 687 V HN 0.872 nan 8.190 nan 0.000 0.427 688 D N 3.939 124.377 120.400 0.064 0.000 2.303 688 D HA 0.413 5.054 4.640 0.002 0.000 0.236 688 D C -0.645 175.518 176.300 -0.228 0.000 1.068 688 D CA -0.346 53.637 54.000 -0.029 0.000 0.830 688 D CB 2.571 43.440 40.800 0.115 0.000 1.109 688 D HN 0.276 nan 8.370 nan 0.000 0.496 689 L N 3.300 124.347 121.223 -0.293 0.000 2.264 689 L HA 0.363 4.704 4.340 0.002 0.000 0.289 689 L C -1.194 175.379 176.870 -0.495 0.000 1.044 689 L CA -0.276 54.385 54.840 -0.299 0.000 0.807 689 L CB 0.245 42.198 42.059 -0.177 0.000 1.192 689 L HN 0.168 nan 8.230 nan 0.000 0.425 690 F N 6.357 126.149 119.950 -0.262 0.000 2.359 690 F HA 0.384 4.912 4.527 0.002 0.000 0.370 690 F C -0.357 175.347 175.800 -0.160 0.000 1.077 690 F CA -0.594 57.239 58.000 -0.279 0.000 1.136 690 F CB 1.138 39.608 39.000 -0.884 0.000 1.387 690 F HN 0.239 nan 8.300 nan 0.000 0.468 691 L N 5.162 126.435 121.223 0.084 0.000 2.255 691 L HA 0.525 4.867 4.340 0.002 0.000 0.289 691 L C -0.910 176.020 176.870 0.100 0.000 1.046 691 L CA -0.360 54.527 54.840 0.078 0.000 0.816 691 L CB 0.591 42.711 42.059 0.101 0.000 1.197 691 L HN 0.428 nan 8.230 nan 0.000 0.427 692 L N 5.054 126.274 121.223 -0.005 0.000 2.709 692 L HA 0.426 4.767 4.340 0.002 0.000 0.236 692 L C 0.242 177.115 176.870 0.005 0.000 1.266 692 L CA -0.100 54.728 54.840 -0.019 0.000 0.987 692 L CB 0.234 42.176 42.059 -0.195 0.000 1.306 692 L HN 0.607 nan 8.230 nan 0.000 0.467 693 S N -1.659 114.054 115.700 0.021 0.000 2.541 693 S HA 0.648 5.119 4.470 0.002 0.000 0.283 693 S C 1.052 175.681 174.600 0.049 0.000 1.196 693 S CA -0.159 58.071 58.200 0.050 0.000 1.062 693 S CB 1.847 65.095 63.200 0.079 0.000 1.009 693 S HN 0.411 nan 8.310 nan 0.000 0.502 694 G N 0.673 109.512 108.800 0.064 0.000 3.088 694 G HA2 0.309 4.270 3.960 0.002 0.000 0.217 694 G HA3 0.309 4.270 3.960 0.002 0.000 0.217 694 G C 0.199 175.143 174.900 0.073 0.000 1.159 694 G CA -0.171 44.968 45.100 0.065 0.000 0.760 694 G HN 0.672 nan 8.290 nan 0.000 0.550 695 Q N -1.508 118.345 119.800 0.088 0.000 2.565 695 Q HA 0.271 4.612 4.340 0.002 0.000 0.294 695 Q C -1.486 174.605 176.000 0.151 0.000 1.005 695 Q CA -1.191 54.682 55.803 0.117 0.000 0.771 695 Q CB 1.892 30.693 28.738 0.104 0.000 1.486 695 Q HN 0.137 nan 8.270 nan 0.000 0.422 696 Y N 0.591 120.921 120.300 0.051 0.000 2.987 696 Y HA -0.142 4.409 4.550 0.002 0.000 0.339 696 Y C 0.023 175.946 175.900 0.038 0.000 1.272 696 Y CA 1.458 59.583 58.100 0.043 0.000 1.562 696 Y CB 0.444 38.923 38.460 0.031 0.000 1.253 696 Y HN 0.547 nan 8.280 nan 0.000 0.604 697 S N 3.843 119.175 115.700 -0.613 0.000 2.960 697 S HA 0.056 4.528 4.470 0.002 0.000 0.256 697 S C -0.606 173.584 174.600 -0.683 0.000 1.017 697 S CA 0.171 58.066 58.200 -0.508 0.000 1.144 697 S CB -0.023 63.054 63.200 -0.206 0.000 1.109 697 S HN 0.869 nan 8.310 nan 0.000 0.638 698 D N 1.359 121.004 120.400 -1.258 0.000 2.705 698 D HA -0.144 4.497 4.640 0.002 0.000 0.240 698 D C 0.530 176.652 176.300 -0.295 0.000 1.137 698 D CA 0.124 53.740 54.000 -0.639 0.000 0.677 698 D CB -1.112 39.478 40.800 -0.350 0.000 1.049 698 D HN 0.410 nan 8.370 nan 0.000 0.427 699 L N 0.548 121.615 121.223 -0.260 0.000 2.265 699 L HA 0.030 4.371 4.340 0.002 0.000 0.215 699 L C 2.464 179.249 176.870 -0.141 0.000 1.117 699 L CA 2.413 57.126 54.840 -0.212 0.000 0.782 699 L CB -0.405 41.506 42.059 -0.246 0.000 0.914 699 L HN 0.289 nan 8.230 nan 0.000 0.441 700 A N -1.836 120.939 122.820 -0.075 0.000 2.131 700 A HA -0.131 4.191 4.320 0.002 0.000 0.220 700 A C 2.291 179.874 177.584 -0.002 0.000 1.158 700 A CA 1.906 53.929 52.037 -0.023 0.000 0.665 700 A CB -0.446 18.574 19.000 0.034 0.000 0.795 700 A HN 0.553 nan 8.150 nan 0.000 0.460 701 S N -0.953 114.735 115.700 -0.020 0.000 2.620 701 S HA 0.175 4.646 4.470 0.002 0.000 0.234 701 S C 1.653 176.211 174.600 -0.069 0.000 1.064 701 S CA 0.365 58.591 58.200 0.044 0.000 0.920 701 S CB -0.343 62.927 63.200 0.118 0.000 0.826 701 S HN 0.457 nan 8.310 nan 0.000 0.557 702 L N 1.770 122.823 121.223 -0.283 0.000 2.127 702 L HA -0.104 4.238 4.340 0.002 0.000 0.211 702 L C 2.577 179.294 176.870 -0.255 0.000 1.089 702 L CA 1.260 55.812 54.840 -0.480 0.000 0.757 702 L CB -0.969 40.843 42.059 -0.412 0.000 0.899 702 L HN 0.451 nan 8.230 nan 0.000 0.434 703 G N -0.997 107.705 108.800 -0.164 0.000 2.432 703 G HA2 -0.229 3.732 3.960 0.002 0.000 0.219 703 G HA3 -0.229 3.732 3.960 0.002 0.000 0.219 703 G C 1.575 176.420 174.900 -0.090 0.000 1.135 703 G CA 0.772 45.791 45.100 -0.134 0.000 0.767 703 G HN 0.424 nan 8.290 nan 0.000 0.550 704 C N 0.058 119.353 119.300 -0.008 0.000 2.403 704 C HA -0.060 4.401 4.460 0.002 0.000 0.282 704 C C 2.615 177.677 174.990 0.121 0.000 1.297 704 C CA 0.498 59.581 59.018 0.107 0.000 1.785 704 C CB -0.917 26.972 27.740 0.249 0.000 1.963 704 C HN 0.502 nan 8.230 nan 0.000 0.507 705 I N 0.785 121.399 120.570 0.074 0.000 2.361 705 I HA -0.145 4.026 4.170 0.002 0.000 0.251 705 I C 2.319 178.445 176.117 0.015 0.000 1.133 705 I CA 1.723 63.062 61.300 0.065 0.000 1.413 705 I CB -0.114 37.924 38.000 0.063 0.000 1.073 705 I HN 0.170 nan 8.210 nan 0.000 0.424 706 S N -0.283 115.393 115.700 -0.039 0.000 2.468 706 S HA 0.092 4.563 4.470 0.002 0.000 0.226 706 S C 1.967 176.500 174.600 -0.112 0.000 1.051 706 S CA 0.064 58.226 58.200 -0.063 0.000 0.943 706 S CB -0.050 63.092 63.200 -0.096 0.000 0.810 706 S HN 0.378 nan 8.310 nan 0.000 0.509 707 R N 0.317 120.695 120.500 -0.204 0.000 2.083 707 R HA -0.088 4.253 4.340 0.002 0.000 0.237 707 R C 1.053 177.076 176.300 -0.461 0.000 1.137 707 R CA 1.445 57.303 56.100 -0.404 0.000 0.951 707 R CB -0.381 29.564 30.300 -0.592 0.000 0.851 707 R HN 0.432 nan 8.270 nan 0.000 0.434 708 Y N -0.248 120.033 120.300 -0.031 0.000 2.461 708 Y HA 0.062 4.613 4.550 0.002 0.000 0.277 708 Y C 1.466 177.395 175.900 0.048 0.000 1.182 708 Y CA 0.170 58.287 58.100 0.029 0.000 1.276 708 Y CB 0.410 38.891 38.460 0.035 0.000 1.087 708 Y HN 0.052 nan 8.280 nan 0.000 0.519 709 S N -1.546 114.220 115.700 0.110 0.000 2.730 709 S HA 0.550 5.021 4.470 0.002 0.000 0.244 709 S C 1.132 175.797 174.600 0.108 0.000 1.022 709 S CA -0.025 58.236 58.200 0.102 0.000 1.014 709 S CB 0.099 63.337 63.200 0.062 0.000 0.963 709 S HN 0.343 nan 8.310 nan 0.000 0.540 710 A N -0.151 122.728 122.820 0.099 0.000 2.872 710 A HA 0.012 4.333 4.320 0.002 0.000 0.273 710 A C 1.039 178.675 177.584 0.087 0.000 1.442 710 A CA 0.871 52.981 52.037 0.123 0.000 0.801 710 A CB -2.169 16.948 19.000 0.194 0.000 1.031 710 A HN 1.319 nan 8.150 nan 0.000 0.582 711 G N -1.141 107.683 108.800 0.041 0.000 2.714 711 G HA2 0.843 4.804 3.960 0.002 0.000 0.197 711 G HA3 0.843 4.804 3.960 0.002 0.000 0.197 711 G C 0.142 175.050 174.900 0.014 0.000 1.449 711 G CA 0.512 45.645 45.100 0.055 0.000 1.065 711 G HN 2.064 nan 8.290 nan 0.000 0.575 712 S N -2.143 113.559 115.700 0.003 0.000 2.556 712 S HA 0.474 4.945 4.470 0.002 0.000 0.280 712 S C -1.026 173.486 174.600 -0.146 0.000 1.141 712 S CA -0.406 57.740 58.200 -0.090 0.000 0.883 712 S CB 1.150 64.320 63.200 -0.050 0.000 1.103 712 S HN 1.630 nan 8.310 nan 0.000 0.453 713 V N 1.568 121.334 119.914 -0.246 0.000 2.547 713 V HA 0.817 4.938 4.120 0.002 0.000 0.299 713 V C -1.823 174.100 176.094 -0.284 0.000 1.040 713 V CA -0.530 61.645 62.300 -0.208 0.000 0.913 713 V CB 1.028 32.770 31.823 -0.135 0.000 0.992 713 V HN 0.909 nan 8.190 nan 0.000 0.449 714 Y N 4.707 124.813 120.300 -0.323 0.000 2.409 714 Y HA 0.650 5.202 4.550 0.002 0.000 0.343 714 Y C -0.909 174.726 175.900 -0.442 0.000 0.973 714 Y CA -0.579 57.344 58.100 -0.294 0.000 1.064 714 Y CB 2.215 40.538 38.460 -0.228 0.000 1.207 714 Y HN 0.788 nan 8.280 nan 0.000 0.452 715 Y N 3.195 122.876 120.300 -1.032 0.000 2.338 715 Y HA 0.472 5.023 4.550 0.002 0.000 0.333 715 Y C -1.934 173.253 175.900 -1.189 0.000 0.968 715 Y CA -1.982 55.416 58.100 -1.170 0.000 1.123 715 Y CB 0.771 38.141 38.460 -1.817 0.000 1.165 715 Y HN 0.537 nan 8.280 nan 0.000 0.452 716 Y N 7.322 127.310 120.300 -0.521 0.000 2.749 716 Y HA 0.361 4.913 4.550 0.002 0.000 0.343 716 Y C -2.428 173.146 175.900 -0.543 0.000 1.015 716 Y CA -2.993 54.886 58.100 -0.367 0.000 1.270 716 Y CB 0.673 39.119 38.460 -0.023 0.000 1.097 716 Y HN 0.436 nan 8.280 nan 0.000 0.571 717 P HA -0.043 nan 4.420 nan 0.000 0.266 717 P C 0.091 177.282 177.300 -0.182 0.000 1.215 717 P CA 0.719 63.451 63.100 -0.612 0.000 0.763 717 P CB 1.132 32.511 31.700 -0.535 0.000 0.806 718 S N 0.532 116.188 115.700 -0.073 0.000 3.706 718 S HA -0.241 4.230 4.470 0.002 0.000 0.363 718 S C 0.149 174.803 174.600 0.090 0.000 0.999 718 S CA 0.296 58.512 58.200 0.027 0.000 1.143 718 S CB -2.538 60.662 63.200 0.000 0.000 0.902 718 S HN 0.621 nan 8.310 nan 0.000 0.476 719 Y N 2.307 122.615 120.300 0.015 0.000 2.511 719 Y HA 0.366 4.917 4.550 0.002 0.000 0.332 719 Y C 0.606 176.590 175.900 0.139 0.000 1.177 719 Y CA 0.647 58.780 58.100 0.056 0.000 1.422 719 Y CB 0.487 38.966 38.460 0.032 0.000 1.271 719 Y HN 0.501 nan 8.280 nan 0.000 0.550 720 H N 5.925 124.773 119.070 -0.371 0.000 3.087 720 H HA 0.094 4.651 4.556 0.002 0.000 0.348 720 H C 0.370 175.504 175.328 -0.322 0.000 1.092 720 H CA -0.482 55.479 56.048 -0.145 0.000 1.285 720 H CB 0.954 30.674 29.762 -0.069 0.000 1.875 720 H HN 0.986 nan 8.280 nan 0.000 0.512 721 H N 2.460 121.288 119.070 -0.402 0.000 2.421 721 H HA -0.065 4.492 4.556 0.002 0.000 0.298 721 H C 0.469 175.729 175.328 -0.113 0.000 1.087 721 H CA 1.376 57.284 56.048 -0.233 0.000 1.330 721 H CB 0.389 30.031 29.762 -0.201 0.000 1.388 721 H HN 0.557 nan 8.280 nan 0.000 0.526 722 Q N -0.528 118.942 119.800 -0.549 0.000 2.389 722 Q HA 0.021 4.362 4.340 0.002 0.000 0.201 722 Q C 2.413 178.334 176.000 -0.131 0.000 0.956 722 Q CA 0.031 55.622 55.803 -0.354 0.000 0.871 722 Q CB 0.334 28.756 28.738 -0.526 0.000 0.990 722 Q HN 0.489 nan 8.270 nan 0.000 0.554 723 H N 0.638 119.643 119.070 -0.108 0.000 2.319 723 H HA -0.050 4.508 4.556 0.002 0.000 0.299 723 H C 1.004 176.226 175.328 -0.178 0.000 1.092 723 H CA 1.021 56.912 56.048 -0.261 0.000 1.302 723 H CB -0.146 29.273 29.762 -0.571 0.000 1.373 723 H HN 0.088 nan 8.280 nan 0.000 0.497 724 N N 1.543 120.226 118.700 -0.029 0.000 3.228 724 N HA 0.039 4.781 4.740 0.002 0.000 0.289 724 N C -1.774 173.623 175.510 -0.187 0.000 1.419 724 N CA -1.705 51.271 53.050 -0.123 0.000 1.088 724 N CB 0.658 39.060 38.487 -0.142 0.000 1.357 724 N HN 0.114 nan 8.380 nan 0.000 0.504 725 P HA -0.169 nan 4.420 nan 0.000 0.217 725 P C 1.384 178.610 177.300 -0.124 0.000 1.148 725 P CA 0.939 63.963 63.100 -0.128 0.000 0.834 725 P CB 0.581 32.227 31.700 -0.091 0.000 0.783 726 V N 0.466 120.290 119.914 -0.149 0.000 2.307 726 V HA -0.200 3.921 4.120 0.002 0.000 0.245 726 V C 2.908 178.966 176.094 -0.060 0.000 1.045 726 V CA 1.731 63.949 62.300 -0.137 0.000 1.024 726 V CB -1.239 30.408 31.823 -0.293 0.000 0.651 726 V HN 0.072 nan 8.190 nan 0.000 0.449 727 Q N -0.222 119.526 119.800 -0.086 0.000 2.124 727 Q HA -0.127 4.214 4.340 0.002 0.000 0.202 727 Q C 2.369 178.401 176.000 0.053 0.000 0.977 727 Q CA 1.425 57.248 55.803 0.033 0.000 0.850 727 Q CB -0.739 27.996 28.738 -0.005 0.000 0.901 727 Q HN 0.554 nan 8.270 nan 0.000 0.429 728 V N 0.965 120.766 119.914 -0.188 0.000 2.233 728 V HA -0.311 3.810 4.120 0.002 0.000 0.247 728 V C 2.495 178.617 176.094 0.046 0.000 1.050 728 V CA 2.313 64.558 62.300 -0.090 0.000 1.010 728 V CB -0.659 31.057 31.823 -0.179 0.000 0.637 728 V HN 0.414 nan 8.190 nan 0.000 0.444 729 Q N -0.152 119.659 119.800 0.018 0.000 2.181 729 Q HA -0.260 4.082 4.340 0.002 0.000 0.205 729 Q C 2.338 178.398 176.000 0.100 0.000 0.980 729 Q CA 2.030 57.859 55.803 0.044 0.000 0.862 729 Q CB -0.171 28.595 28.738 0.048 0.000 0.905 729 Q HN 0.602 nan 8.270 nan 0.000 0.429 730 K N -0.013 120.475 120.400 0.146 0.000 1.985 730 K HA -0.201 4.120 4.320 0.002 0.000 0.210 730 K C 2.083 178.834 176.600 0.251 0.000 1.047 730 K CA 1.404 57.831 56.287 0.233 0.000 0.932 730 K CB -0.324 32.348 32.500 0.286 0.000 0.716 730 K HN 0.296 nan 8.250 nan 0.000 0.439 731 L N 1.963 123.269 121.223 0.138 0.000 2.081 731 L HA -0.230 4.111 4.340 0.002 0.000 0.212 731 L C 2.421 179.282 176.870 -0.015 0.000 1.080 731 L CA 1.902 56.637 54.840 -0.174 0.000 0.754 731 L CB -0.915 40.837 42.059 -0.510 0.000 0.893 731 L HN 0.309 nan 8.230 nan 0.000 0.433 732 Q N -0.033 119.783 119.800 0.027 0.000 2.002 732 Q HA -0.216 4.125 4.340 0.002 0.000 0.204 732 Q C 2.144 178.173 176.000 0.049 0.000 0.988 732 Q CA 2.069 57.879 55.803 0.012 0.000 0.843 732 Q CB -0.213 28.521 28.738 -0.006 0.000 0.908 732 Q HN 0.402 nan 8.270 nan 0.000 0.420 733 K N 0.269 120.719 120.400 0.084 0.000 2.211 733 K HA -0.109 4.212 4.320 0.002 0.000 0.203 733 K C 2.032 178.820 176.600 0.313 0.000 1.050 733 K CA 1.199 57.561 56.287 0.125 0.000 0.945 733 K CB -0.054 32.522 32.500 0.126 0.000 0.732 733 K HN 0.439 nan 8.250 nan 0.000 0.451 734 E N 0.655 121.092 120.200 0.394 0.000 2.152 734 E HA -0.013 4.339 4.350 0.002 0.000 0.192 734 E C 2.032 178.928 176.600 0.492 0.000 0.983 734 E CA 0.283 57.080 56.400 0.663 0.000 0.818 734 E CB 0.081 30.169 29.700 0.646 0.000 0.758 734 E HN 0.148 nan 8.360 nan 0.000 0.467 735 L N 0.643 122.015 121.223 0.249 0.000 2.156 735 L HA -0.193 4.149 4.340 0.002 0.000 0.208 735 L C 2.567 179.551 176.870 0.191 0.000 1.095 735 L CA 0.786 55.724 54.840 0.162 0.000 0.770 735 L CB -0.067 41.999 42.059 0.013 0.000 0.914 735 L HN 0.160 nan 8.230 nan 0.000 0.439 736 Q N 0.459 120.343 119.800 0.140 0.000 2.030 736 Q HA -0.281 4.060 4.340 0.002 0.000 0.204 736 Q C 2.163 178.218 176.000 0.091 0.000 0.986 736 Q CA 2.047 57.901 55.803 0.085 0.000 0.843 736 Q CB -0.136 28.630 28.738 0.047 0.000 0.904 736 Q HN 0.165 nan 8.270 nan 0.000 0.420 737 R N -0.838 119.724 120.500 0.103 0.000 2.082 737 R HA -0.208 4.134 4.340 0.002 0.000 0.234 737 R C 2.183 178.504 176.300 0.035 0.000 1.136 737 R CA 2.102 58.174 56.100 -0.047 0.000 0.935 737 R CB -1.484 28.563 30.300 -0.423 0.000 0.842 737 R HN 0.491 nan 8.270 nan 0.000 0.430 738 Y N 0.665 120.996 120.300 0.051 0.000 2.102 738 Y HA -0.255 4.297 4.550 0.002 0.000 0.280 738 Y C 1.830 177.783 175.900 0.088 0.000 1.178 738 Y CA 2.372 60.546 58.100 0.124 0.000 1.146 738 Y CB -0.284 38.287 38.460 0.184 0.000 0.968 738 Y HN 0.136 nan 8.280 nan 0.000 0.504 739 L N -1.002 120.306 121.223 0.142 0.000 2.240 739 L HA -0.095 4.246 4.340 0.002 0.000 0.211 739 L C 2.093 178.938 176.870 -0.042 0.000 1.106 739 L CA 1.640 56.491 54.840 0.017 0.000 0.793 739 L CB -0.606 41.502 42.059 0.082 0.000 0.927 739 L HN 0.384 nan 8.230 nan 0.000 0.446 740 T N -3.148 111.396 114.554 -0.016 0.000 3.054 740 T HA 0.102 4.453 4.350 0.002 0.000 0.255 740 T C 0.917 175.603 174.700 -0.023 0.000 1.035 740 T CA -0.644 61.446 62.100 -0.016 0.000 0.941 740 T CB -0.006 68.860 68.868 -0.003 0.000 1.026 740 T HN 0.265 nan 8.240 nan 0.000 0.533 741 R N 2.114 122.588 120.500 -0.045 0.000 2.707 741 R HA 0.395 4.736 4.340 0.002 0.000 0.270 741 R C 0.240 176.527 176.300 -0.023 0.000 1.083 741 R CA -0.896 55.174 56.100 -0.050 0.000 1.182 741 R CB 0.493 30.751 30.300 -0.070 0.000 1.084 741 R HN 0.377 nan 8.270 nan 0.000 0.528 742 K N 1.269 121.652 120.400 -0.029 0.000 2.187 742 K HA 0.323 4.644 4.320 0.002 0.000 0.247 742 K C -0.391 176.268 176.600 0.098 0.000 1.019 742 K CA -0.536 55.764 56.287 0.021 0.000 0.893 742 K CB 0.675 33.138 32.500 -0.061 0.000 1.025 742 K HN 0.687 nan 8.250 nan 0.000 0.500 743 I N -0.694 119.979 120.570 0.172 0.000 2.842 743 I HA 0.428 4.599 4.170 0.002 0.000 0.297 743 I C -1.314 174.824 176.117 0.035 0.000 1.380 743 I CA -0.642 60.700 61.300 0.070 0.000 1.018 743 I CB 2.276 40.187 38.000 -0.148 0.000 1.311 743 I HN 0.904 nan 8.210 nan 0.000 0.439 744 G N 4.869 113.553 108.800 -0.193 0.000 2.482 744 G HA2 0.713 4.674 3.960 0.002 0.000 0.317 744 G HA3 0.713 4.674 3.960 0.002 0.000 0.317 744 G C -1.794 172.902 174.900 -0.339 0.000 1.241 744 G CA -0.365 44.700 45.100 -0.058 0.000 0.967 744 G HN 0.354 nan 8.290 nan 0.000 0.482 745 F N -0.028 120.024 119.950 0.171 0.000 2.556 745 F HA 0.367 4.895 4.527 0.002 0.000 0.327 745 F C 0.864 176.709 175.800 0.075 0.000 1.059 745 F CA -0.559 57.492 58.000 0.086 0.000 0.953 745 F CB 1.804 40.831 39.000 0.046 0.000 1.227 745 F HN 0.812 nan 8.300 nan 0.000 0.478 746 E N -0.557 119.804 120.200 0.269 0.000 2.149 746 E HA -0.149 4.202 4.350 0.002 0.000 0.191 746 E C -0.971 175.704 176.600 0.125 0.000 1.384 746 E CA 0.308 56.805 56.400 0.161 0.000 0.698 746 E CB -1.652 28.127 29.700 0.132 0.000 1.086 746 E HN 0.644 nan 8.360 nan 0.000 0.338 747 A N 0.767 123.646 122.820 0.099 0.000 2.288 747 A HA 0.869 5.191 4.320 0.002 0.000 0.328 747 A C 0.202 177.803 177.584 0.029 0.000 1.123 747 A CA -0.159 51.923 52.037 0.075 0.000 0.861 747 A CB 1.934 20.965 19.000 0.052 0.000 1.272 747 A HN 1.015 nan 8.150 nan 0.000 0.490 748 V N -1.727 118.191 119.914 0.007 0.000 3.012 748 V HA 0.841 4.962 4.120 0.002 0.000 0.307 748 V C -0.736 175.318 176.094 -0.067 0.000 1.166 748 V CA -0.682 61.596 62.300 -0.037 0.000 0.974 748 V CB 1.545 33.352 31.823 -0.026 0.000 1.040 748 V HN 1.236 nan 8.190 nan 0.000 0.428 749 M N 3.358 122.878 119.600 -0.134 0.000 2.518 749 M HA 0.841 5.322 4.480 0.002 0.000 0.300 749 M C -1.026 175.190 176.300 -0.140 0.000 1.175 749 M CA -0.679 54.535 55.300 -0.144 0.000 0.890 749 M CB 2.409 34.862 32.600 -0.244 0.000 1.710 749 M HN 1.006 nan 8.290 nan 0.000 0.453 750 R N 3.714 124.178 120.500 -0.061 0.000 2.744 750 R HA 0.712 5.053 4.340 0.002 0.000 0.279 750 R C -1.906 174.419 176.300 0.041 0.000 0.977 750 R CA -0.554 55.533 56.100 -0.021 0.000 0.906 750 R CB 1.621 31.923 30.300 0.004 0.000 1.197 750 R HN 0.732 nan 8.270 nan 0.000 0.463 751 I N 4.056 124.679 120.570 0.090 0.000 2.382 751 I HA 0.460 4.631 4.170 0.002 0.000 0.286 751 I C -0.048 176.168 176.117 0.166 0.000 1.002 751 I CA -0.605 60.780 61.300 0.143 0.000 1.135 751 I CB 1.454 39.535 38.000 0.137 0.000 1.288 751 I HN 0.614 nan 8.210 nan 0.000 0.448 752 R N 4.462 125.079 120.500 0.196 0.000 2.720 752 R HA 0.805 5.146 4.340 0.002 0.000 0.272 752 R C -0.731 175.687 176.300 0.197 0.000 0.991 752 R CA -0.504 55.689 56.100 0.155 0.000 1.010 752 R CB 2.113 32.483 30.300 0.117 0.000 1.141 752 R HN 0.859 nan 8.270 nan 0.000 0.494 753 C N -1.237 118.131 119.300 0.113 0.000 3.080 753 C HA 0.237 4.699 4.460 0.002 0.000 0.388 753 C C -0.294 174.652 174.990 -0.073 0.000 1.079 753 C CA -1.188 57.864 59.018 0.055 0.000 1.289 753 C CB -0.135 27.852 27.740 0.412 0.000 1.702 753 C HN 0.911 nan 8.230 nan 0.000 0.516 754 T N 2.486 116.922 114.554 -0.197 0.000 2.087 754 T HA -0.224 4.128 4.350 0.002 0.000 0.351 754 T C 0.344 174.953 174.700 -0.152 0.000 1.000 754 T CA 1.282 63.247 62.100 -0.224 0.000 1.895 754 T CB 0.171 68.893 68.868 -0.244 0.000 1.211 754 T HN 1.042 nan 8.240 nan 0.000 0.390 755 K N 1.917 122.187 120.400 -0.217 0.000 2.504 755 K HA 0.121 4.442 4.320 0.002 0.000 0.278 755 K C 1.468 178.059 176.600 -0.014 0.000 1.025 755 K CA 1.162 57.383 56.287 -0.111 0.000 1.093 755 K CB -0.507 31.911 32.500 -0.137 0.000 0.873 755 K HN 0.973 nan 8.250 nan 0.000 0.483 756 G N 3.398 112.206 108.800 0.013 0.000 2.436 756 G HA2 -0.197 3.764 3.960 0.002 0.000 0.204 756 G HA3 -0.197 3.764 3.960 0.002 0.000 0.204 756 G C -0.194 174.733 174.900 0.044 0.000 1.026 756 G CA -0.332 44.790 45.100 0.038 0.000 0.658 756 G HN 0.512 nan 8.290 nan 0.000 0.499 757 L N 2.148 123.401 121.223 0.049 0.000 2.264 757 L HA 0.710 5.051 4.340 0.002 0.000 0.289 757 L C 0.115 177.035 176.870 0.084 0.000 1.044 757 L CA -0.470 54.424 54.840 0.090 0.000 0.807 757 L CB 1.823 43.978 42.059 0.160 0.000 1.192 757 L HN 0.229 nan 8.230 nan 0.000 0.425 758 S N 4.214 119.964 115.700 0.084 0.000 2.502 758 S HA 0.614 5.086 4.470 0.002 0.000 0.304 758 S C -0.482 174.157 174.600 0.065 0.000 1.097 758 S CA -0.630 57.614 58.200 0.074 0.000 1.045 758 S CB 0.990 64.233 63.200 0.072 0.000 1.019 758 S HN 0.421 nan 8.310 nan 0.000 0.481 759 I N 6.088 126.656 120.570 -0.004 0.000 2.416 759 I HA 0.293 4.465 4.170 0.002 0.000 0.288 759 I C 1.379 177.415 176.117 -0.135 0.000 1.051 759 I CA -0.292 60.904 61.300 -0.174 0.000 1.375 759 I CB 0.796 38.610 38.000 -0.310 0.000 1.407 759 I HN 0.846 nan 8.210 nan 0.000 0.516 760 H N 2.294 121.271 119.070 -0.156 0.000 3.017 760 H HA 0.295 4.852 4.556 0.002 0.000 0.255 760 H C -0.195 175.096 175.328 -0.062 0.000 0.990 760 H CA -0.175 55.832 56.048 -0.068 0.000 1.205 760 H CB 0.818 30.567 29.762 -0.021 0.000 1.460 760 H HN 0.415 nan 8.280 nan 0.000 0.478 761 T N 1.503 115.791 114.554 -0.443 0.000 2.916 761 T HA 0.450 4.801 4.350 0.002 0.000 0.298 761 T C -1.332 173.086 174.700 -0.470 0.000 1.031 761 T CA -0.475 61.479 62.100 -0.243 0.000 0.993 761 T CB 1.853 70.652 68.868 -0.116 0.000 1.045 761 T HN 0.011 nan 8.240 nan 0.000 0.454 762 F N 2.208 121.991 119.950 -0.278 0.000 2.492 762 F HA 0.517 5.045 4.527 0.002 0.000 0.327 762 F C 0.721 176.347 175.800 -0.290 0.000 1.079 762 F CA -0.850 57.057 58.000 -0.155 0.000 0.967 762 F CB 1.373 40.394 39.000 0.035 0.000 1.169 762 F HN 0.457 nan 8.300 nan 0.000 0.472 763 H N 1.273 120.639 119.070 0.494 0.000 2.658 763 H HA 0.702 5.259 4.556 0.002 0.000 0.337 763 H C 0.167 175.675 175.328 0.300 0.000 1.009 763 H CA -0.823 55.394 56.048 0.281 0.000 1.231 763 H CB 1.471 31.307 29.762 0.123 0.000 1.508 763 H HN 0.848 nan 8.280 nan 0.000 0.517 764 G N 2.183 110.951 108.800 -0.054 0.000 2.369 764 G HA2 -0.130 3.831 3.960 0.002 0.000 0.293 764 G HA3 -0.130 3.831 3.960 0.002 0.000 0.293 764 G C -1.498 172.841 174.900 -0.934 0.000 1.301 764 G CA -1.183 43.737 45.100 -0.301 0.000 0.913 764 G HN 0.402 nan 8.290 nan 0.000 0.540 765 N N 0.916 119.291 118.700 -0.542 0.000 2.437 765 N HA 0.766 5.507 4.740 0.002 0.000 0.243 765 N C -0.457 174.950 175.510 -0.172 0.000 1.041 765 N CA 0.154 52.943 53.050 -0.434 0.000 0.940 765 N CB 0.218 38.575 38.487 -0.217 0.000 1.133 765 N HN 0.740 nan 8.380 nan 0.000 0.506 766 F N -0.485 119.529 119.950 0.107 0.000 3.265 766 F HA 0.482 5.010 4.527 0.002 0.000 0.328 766 F C -2.051 173.877 175.800 0.213 0.000 1.117 766 F CA -1.725 56.361 58.000 0.142 0.000 0.850 766 F CB 0.616 39.674 39.000 0.097 0.000 1.470 766 F HN 0.070 nan 8.300 nan 0.000 0.473 767 F N 2.071 122.287 119.950 0.443 0.000 2.499 767 F HA 0.749 5.277 4.527 0.002 0.000 0.333 767 F C -1.294 174.582 175.800 0.127 0.000 1.138 767 F CA -1.390 56.784 58.000 0.289 0.000 0.945 767 F CB 1.592 40.684 39.000 0.154 0.000 1.181 767 F HN 0.455 nan 8.300 nan 0.000 0.435 768 V N 8.321 127.871 119.914 -0.606 0.000 2.387 768 V HA 0.274 4.395 4.120 0.002 0.000 0.260 768 V C 1.109 176.636 176.094 -0.945 0.000 1.054 768 V CA -0.432 61.425 62.300 -0.737 0.000 0.967 768 V CB 0.191 31.640 31.823 -0.624 0.000 1.036 768 V HN 0.767 nan 8.190 nan 0.000 0.481 769 R N 2.325 122.437 120.500 -0.647 0.000 1.633 769 R HA 0.111 4.453 4.340 0.002 0.000 0.129 769 R C 1.136 177.261 176.300 -0.291 0.000 0.840 769 R CA 0.543 56.413 56.100 -0.382 0.000 1.694 769 R CB -0.420 29.796 30.300 -0.141 0.000 0.620 769 R HN 0.607 nan 8.270 nan 0.000 0.667 770 S N 0.657 116.242 115.700 -0.192 0.000 2.562 770 S HA 0.111 4.582 4.470 0.002 0.000 0.275 770 S C -0.431 174.065 174.600 -0.173 0.000 1.281 770 S CA -0.374 57.742 58.200 -0.141 0.000 1.045 770 S CB 0.650 63.799 63.200 -0.084 0.000 0.962 770 S HN 0.330 nan 8.310 nan 0.000 0.503 771 T N 4.460 118.946 114.554 -0.113 0.000 2.720 771 T HA -0.064 4.287 4.350 0.002 0.000 0.255 771 T C -0.442 174.224 174.700 -0.057 0.000 1.021 771 T CA 1.372 63.443 62.100 -0.049 0.000 1.145 771 T CB -0.464 68.455 68.868 0.085 0.000 1.036 771 T HN 0.820 nan 8.240 nan 0.000 0.479 772 D N 1.196 121.559 120.400 -0.061 0.000 4.028 772 D HA -0.112 4.530 4.640 0.002 0.000 0.233 772 D C -0.506 175.703 176.300 -0.151 0.000 1.080 772 D CA 0.700 54.687 54.000 -0.020 0.000 1.181 772 D CB -0.600 40.267 40.800 0.113 0.000 0.815 772 D HN 0.530 nan 8.370 nan 0.000 0.401 773 L N 2.560 123.615 121.223 -0.279 0.000 4.661 773 L HA 0.073 4.415 4.340 0.002 0.000 0.223 773 L C -1.477 175.187 176.870 -0.342 0.000 1.100 773 L CA -0.054 54.648 54.840 -0.232 0.000 1.388 773 L CB -0.116 41.843 42.059 -0.166 0.000 1.753 773 L HN 0.347 nan 8.230 nan 0.000 0.697 774 L N 1.593 122.571 121.223 -0.407 0.000 2.319 774 L HA 0.454 4.795 4.340 0.002 0.000 0.280 774 L C 0.887 177.626 176.870 -0.219 0.000 1.099 774 L CA -0.045 54.493 54.840 -0.502 0.000 0.828 774 L CB 1.482 43.064 42.059 -0.796 0.000 1.150 774 L HN 0.583 nan 8.230 nan 0.000 0.442 775 S N 4.668 120.331 115.700 -0.061 0.000 2.489 775 S HA 0.546 5.017 4.470 0.002 0.000 0.277 775 S C -0.297 174.384 174.600 0.136 0.000 1.230 775 S CA -0.551 57.700 58.200 0.084 0.000 1.053 775 S CB 0.209 63.559 63.200 0.250 0.000 0.955 775 S HN 0.459 nan 8.310 nan 0.000 0.488 776 L N 7.333 128.609 121.223 0.088 0.000 2.462 776 L HA 0.331 4.672 4.340 0.002 0.000 0.255 776 L C -2.020 174.901 176.870 0.085 0.000 1.076 776 L CA -1.792 53.107 54.840 0.098 0.000 0.920 776 L CB 1.573 43.648 42.059 0.027 0.000 1.214 776 L HN 0.435 nan 8.230 nan 0.000 0.472 777 P HA -0.132 nan 4.420 nan 0.000 0.218 777 P C -0.100 177.266 177.300 0.110 0.000 1.146 777 P CA 1.432 64.602 63.100 0.116 0.000 0.820 777 P CB 0.187 31.957 31.700 0.118 0.000 0.778 778 N N -2.807 115.928 118.700 0.057 0.000 2.396 778 N HA 0.384 5.125 4.740 0.002 0.000 0.275 778 N C -1.892 173.581 175.510 -0.060 0.000 1.218 778 N CA -0.585 52.440 53.050 -0.043 0.000 0.812 778 N CB 2.234 40.709 38.487 -0.021 0.000 1.592 778 N HN -0.391 nan 8.380 nan 0.000 0.480 779 V N 2.424 122.229 119.914 -0.181 0.000 2.488 779 V HA 0.483 4.604 4.120 0.002 0.000 0.293 779 V C -1.184 174.860 176.094 -0.084 0.000 1.027 779 V CA -0.688 61.487 62.300 -0.208 0.000 0.862 779 V CB 0.811 32.294 31.823 -0.567 0.000 1.008 779 V HN 0.803 nan 8.190 nan 0.000 0.428 780 N N 7.489 126.275 118.700 0.142 0.000 2.466 780 N HA 0.542 5.283 4.740 0.002 0.000 0.294 780 N C -2.293 173.465 175.510 0.413 0.000 1.129 780 N CA -1.884 51.328 53.050 0.269 0.000 0.931 780 N CB 2.114 40.712 38.487 0.184 0.000 1.193 780 N HN 0.381 nan 8.380 nan 0.000 0.500 781 P HA 0.045 nan 4.420 nan 0.000 0.242 781 P C -0.429 177.077 177.300 0.343 0.000 1.197 781 P CA 0.730 63.957 63.100 0.212 0.000 0.765 781 P CB 0.278 31.930 31.700 -0.079 0.000 0.936 782 D N -0.694 119.877 120.400 0.286 0.000 2.479 782 D HA 0.204 4.845 4.640 0.002 0.000 0.218 782 D C 0.636 176.997 176.300 0.101 0.000 1.177 782 D CA -0.106 54.045 54.000 0.252 0.000 0.830 782 D CB 0.807 41.746 40.800 0.232 0.000 1.014 782 D HN 0.100 nan 8.370 nan 0.000 0.503 783 A N 0.551 123.428 122.820 0.095 0.000 2.310 783 A HA 0.675 4.996 4.320 0.002 0.000 0.299 783 A C 0.612 178.015 177.584 -0.302 0.000 1.147 783 A CA -0.293 51.667 52.037 -0.128 0.000 0.818 783 A CB 1.120 20.072 19.000 -0.081 0.000 1.096 783 A HN 0.102 nan 8.150 nan 0.000 0.495 784 G N -0.160 108.323 108.800 -0.530 0.000 2.481 784 G HA2 0.630 4.591 3.960 0.002 0.000 0.315 784 G HA3 0.630 4.591 3.960 0.002 0.000 0.315 784 G C -1.402 173.109 174.900 -0.649 0.000 1.231 784 G CA -0.381 44.452 45.100 -0.446 0.000 0.968 784 G HN 0.565 nan 8.290 nan 0.000 0.482 785 Y N -0.510 119.831 120.300 0.068 0.000 2.581 785 Y HA 0.740 5.292 4.550 0.002 0.000 0.345 785 Y C 0.309 176.277 175.900 0.115 0.000 1.036 785 Y CA -0.826 57.365 58.100 0.152 0.000 1.042 785 Y CB 2.725 41.307 38.460 0.203 0.000 1.289 785 Y HN 0.834 nan 8.280 nan 0.000 0.471 786 A N 1.094 124.117 122.820 0.339 0.000 2.515 786 A HA 0.893 5.214 4.320 0.002 0.000 0.298 786 A C -1.901 175.835 177.584 0.254 0.000 1.059 786 A CA -0.721 51.453 52.037 0.228 0.000 0.698 786 A CB 1.550 20.633 19.000 0.138 0.000 1.289 786 A HN 0.494 nan 8.150 nan 0.000 0.404 787 V N 1.013 120.985 119.914 0.096 0.000 2.876 787 V HA 0.570 4.691 4.120 0.002 0.000 0.312 787 V C -0.480 175.535 176.094 -0.133 0.000 1.085 787 V CA -0.482 61.761 62.300 -0.096 0.000 0.945 787 V CB 2.058 33.728 31.823 -0.255 0.000 1.017 787 V HN 1.013 nan 8.190 nan 0.000 0.428 788 Q N 4.125 123.749 119.800 -0.294 0.000 2.316 788 Q HA 0.806 5.148 4.340 0.002 0.000 0.264 788 Q C -0.919 174.714 176.000 -0.612 0.000 0.987 788 Q CA -0.568 55.017 55.803 -0.363 0.000 0.852 788 Q CB 1.728 30.280 28.738 -0.311 0.000 1.287 788 Q HN 0.809 nan 8.270 nan 0.000 0.448 789 M N 0.744 120.193 119.600 -0.252 0.000 2.727 789 M HA 0.808 5.289 4.480 0.002 0.000 0.300 789 M C -0.876 175.533 176.300 0.180 0.000 1.246 789 M CA -1.030 54.241 55.300 -0.049 0.000 0.835 789 M CB 2.223 34.796 32.600 -0.046 0.000 1.755 789 M HN 0.599 nan 8.290 nan 0.000 0.473 790 S N -0.383 115.431 115.700 0.189 0.000 2.570 790 S HA 0.658 5.129 4.470 0.002 0.000 0.270 790 S C -0.956 173.691 174.600 0.078 0.000 1.149 790 S CA -0.911 57.361 58.200 0.120 0.000 0.837 790 S CB 1.684 64.928 63.200 0.073 0.000 1.124 790 S HN 0.610 nan 8.310 nan 0.000 0.465 791 V N 2.269 122.212 119.914 0.048 0.000 2.356 791 V HA 0.283 4.404 4.120 0.002 0.000 0.258 791 V C 1.488 177.601 176.094 0.030 0.000 1.065 791 V CA -0.006 62.319 62.300 0.041 0.000 0.935 791 V CB -0.105 31.737 31.823 0.031 0.000 1.061 791 V HN 1.097 nan 8.190 nan 0.000 0.484 792 E N 3.516 123.737 120.200 0.035 0.000 2.216 792 E HA -0.023 4.329 4.350 0.002 0.000 0.192 792 E C 0.289 176.902 176.600 0.021 0.000 0.988 792 E CA 0.692 57.107 56.400 0.024 0.000 0.834 792 E CB 0.454 30.171 29.700 0.028 0.000 0.772 792 E HN 0.823 nan 8.360 nan 0.000 0.479 793 E N 0.228 120.444 120.200 0.027 0.000 2.260 793 E HA 0.231 4.582 4.350 0.002 0.000 0.266 793 E C -1.342 175.276 176.600 0.030 0.000 0.887 793 E CA -0.479 55.937 56.400 0.027 0.000 0.777 793 E CB 2.095 31.814 29.700 0.031 0.000 1.205 793 E HN -0.063 nan 8.360 nan 0.000 0.414 794 S N 2.425 118.139 115.700 0.023 0.000 2.593 794 S HA -0.038 4.433 4.470 0.002 0.000 0.300 794 S C 0.743 175.359 174.600 0.027 0.000 1.267 794 S CA 0.073 58.285 58.200 0.021 0.000 1.065 794 S CB 0.115 63.323 63.200 0.013 0.000 0.807 794 S HN 0.407 nan 8.310 nan 0.000 0.499 795 L N 3.465 124.704 121.223 0.027 0.000 2.955 795 L HA 0.085 4.426 4.340 0.002 0.000 0.238 795 L C 1.958 178.837 176.870 0.014 0.000 1.359 795 L CA -0.294 54.565 54.840 0.031 0.000 1.214 795 L CB -1.364 40.715 42.059 0.034 0.000 1.600 795 L HN 0.856 nan 8.230 nan 0.000 0.442 796 T N -4.574 109.984 114.554 0.006 0.000 2.812 796 T HA -0.135 4.216 4.350 0.002 0.000 0.264 796 T C 1.189 175.874 174.700 -0.024 0.000 1.042 796 T CA 1.052 63.148 62.100 -0.007 0.000 1.140 796 T CB -0.016 68.847 68.868 -0.007 0.000 0.870 796 T HN 0.285 nan 8.240 nan 0.000 0.445 797 D N 2.156 122.535 120.400 -0.034 0.000 2.157 797 D HA -0.020 4.621 4.640 0.002 0.000 0.197 797 D C 1.304 177.547 176.300 -0.095 0.000 0.995 797 D CA 1.905 55.853 54.000 -0.085 0.000 0.860 797 D CB -0.831 39.891 40.800 -0.131 0.000 1.016 797 D HN 0.626 nan 8.370 nan 0.000 0.452 798 T N -1.102 113.407 114.554 -0.075 0.000 2.813 798 T HA 0.207 4.558 4.350 0.002 0.000 0.297 798 T C 0.620 175.311 174.700 -0.015 0.000 1.036 798 T CA -0.446 61.627 62.100 -0.045 0.000 1.044 798 T CB 1.080 69.977 68.868 0.048 0.000 0.993 798 T HN 0.290 nan 8.240 nan 0.000 0.535 799 Q N -0.141 119.652 119.800 -0.011 0.000 2.140 799 Q HA 0.429 4.770 4.340 0.002 0.000 0.227 799 Q C -0.324 175.674 176.000 -0.004 0.000 0.798 799 Q CA -0.271 55.529 55.803 -0.006 0.000 0.987 799 Q CB 0.484 29.215 28.738 -0.010 0.000 1.161 799 Q HN 0.499 nan 8.270 nan 0.000 0.480 800 L N 1.587 122.809 121.223 -0.002 0.000 2.445 800 L HA 0.699 5.040 4.340 0.002 0.000 0.262 800 L C -0.910 175.937 176.870 -0.038 0.000 0.974 800 L CA -1.369 53.456 54.840 -0.024 0.000 0.822 800 L CB 2.621 44.670 42.059 -0.016 0.000 1.339 800 L HN -0.014 nan 8.230 nan 0.000 0.409 801 V N -1.334 118.504 119.914 -0.128 0.000 3.049 801 V HA 0.828 4.949 4.120 0.002 0.000 0.309 801 V C -0.540 175.253 176.094 -0.501 0.000 1.148 801 V CA -0.405 61.744 62.300 -0.252 0.000 0.990 801 V CB 1.949 33.633 31.823 -0.232 0.000 1.039 801 V HN 0.722 nan 8.190 nan 0.000 0.430 802 S N 1.724 117.031 115.700 -0.655 0.000 2.634 802 S HA 0.947 5.418 4.470 0.002 0.000 0.296 802 S C -1.390 172.576 174.600 -1.058 0.000 1.104 802 S CA -0.372 57.391 58.200 -0.728 0.000 0.920 802 S CB 1.693 64.743 63.200 -0.250 0.000 1.111 802 S HN 0.680 nan 8.310 nan 0.000 0.493 803 F N 1.319 121.238 119.950 -0.052 0.000 2.547 803 F HA 0.563 5.091 4.527 0.002 0.000 0.316 803 F C 0.013 175.959 175.800 0.244 0.000 1.121 803 F CA -0.570 57.451 58.000 0.035 0.000 0.911 803 F CB 1.768 40.674 39.000 -0.156 0.000 1.179 803 F HN 0.395 nan 8.300 nan 0.000 0.443 804 Q N 2.413 122.490 119.800 0.461 0.000 2.292 804 Q HA 0.562 4.903 4.340 0.002 0.000 0.270 804 Q C -1.280 174.956 176.000 0.393 0.000 1.024 804 Q CA -0.591 55.489 55.803 0.462 0.000 0.768 804 Q CB 2.074 31.013 28.738 0.335 0.000 1.250 804 Q HN 0.817 nan 8.270 nan 0.000 0.447 805 S N 1.851 117.754 115.700 0.339 0.000 2.509 805 S HA 0.916 5.387 4.470 0.002 0.000 0.297 805 S C -0.661 174.003 174.600 0.107 0.000 1.118 805 S CA -0.621 57.659 58.200 0.133 0.000 1.074 805 S CB 1.916 65.065 63.200 -0.084 0.000 1.038 805 S HN 0.638 nan 8.310 nan 0.000 0.498 806 A N 2.893 125.758 122.820 0.075 0.000 2.359 806 A HA 0.671 4.992 4.320 0.002 0.000 0.303 806 A C -1.189 176.404 177.584 0.015 0.000 1.066 806 A CA -0.675 51.394 52.037 0.053 0.000 0.730 806 A CB 1.124 20.239 19.000 0.192 0.000 1.211 806 A HN 0.794 nan 8.150 nan 0.000 0.439 807 L N 3.622 124.845 121.223 -0.000 0.000 2.276 807 L HA 0.543 4.884 4.340 0.002 0.000 0.286 807 L C -1.091 175.863 176.870 0.141 0.000 1.024 807 L CA -0.867 53.971 54.840 -0.003 0.000 0.826 807 L CB 0.884 42.883 42.059 -0.099 0.000 1.211 807 L HN 0.694 nan 8.230 nan 0.000 0.422 808 L N 8.234 129.540 121.223 0.139 0.000 2.262 808 L HA 0.543 4.884 4.340 0.002 0.000 0.288 808 L C -0.911 176.102 176.870 0.239 0.000 1.035 808 L CA -0.143 54.815 54.840 0.196 0.000 0.820 808 L CB 0.642 42.782 42.059 0.135 0.000 1.204 808 L HN 0.587 nan 8.230 nan 0.000 0.424 809 Y N 0.876 121.175 120.300 -0.001 0.000 2.728 809 Y HA 0.803 5.354 4.550 0.002 0.000 0.330 809 Y C -0.904 175.024 175.900 0.047 0.000 1.234 809 Y CA -1.147 56.945 58.100 -0.014 0.000 1.070 809 Y CB 1.167 39.550 38.460 -0.130 0.000 1.300 809 Y HN 0.315 nan 8.280 nan 0.000 0.467 810 T N 2.229 116.803 114.554 0.033 0.000 2.797 810 T HA 0.439 4.790 4.350 0.002 0.000 0.279 810 T C -0.261 174.521 174.700 0.137 0.000 0.991 810 T CA -0.718 61.379 62.100 -0.004 0.000 0.979 810 T CB 1.063 70.007 68.868 0.126 0.000 0.943 810 T HN 0.838 nan 8.240 nan 0.000 0.444 811 S N 1.750 117.462 115.700 0.020 0.000 2.624 811 S HA 0.201 4.673 4.470 0.002 0.000 0.263 811 S C 1.740 176.515 174.600 0.293 0.000 1.287 811 S CA -0.179 58.145 58.200 0.206 0.000 0.990 811 S CB 0.782 64.048 63.200 0.110 0.000 0.950 811 S HN 0.745 nan 8.310 nan 0.000 0.561 812 S N 0.268 116.165 115.700 0.329 0.000 2.474 812 S HA 0.006 4.477 4.470 0.002 0.000 0.235 812 S C 0.933 175.643 174.600 0.183 0.000 0.997 812 S CA 0.318 58.718 58.200 0.333 0.000 0.949 812 S CB -0.386 63.008 63.200 0.324 0.000 0.766 812 S HN 0.661 nan 8.310 nan 0.000 0.517 813 K N 1.078 121.561 120.400 0.139 0.000 2.437 813 K HA 0.302 4.624 4.320 0.002 0.000 0.205 813 K C 1.046 177.676 176.600 0.049 0.000 1.026 813 K CA 0.390 56.726 56.287 0.082 0.000 1.153 813 K CB -0.170 32.373 32.500 0.072 0.000 0.863 813 K HN 0.516 nan 8.250 nan 0.000 0.502 814 G N 2.021 110.851 108.800 0.049 0.000 2.221 814 G HA2 -0.280 3.681 3.960 0.002 0.000 0.265 814 G HA3 -0.280 3.681 3.960 0.002 0.000 0.265 814 G C -0.527 174.372 174.900 -0.001 0.000 1.041 814 G CA 0.161 45.270 45.100 0.016 0.000 0.807 814 G HN 0.415 nan 8.290 nan 0.000 0.502 815 E N -0.264 119.927 120.200 -0.014 0.000 2.199 815 E HA 0.417 4.768 4.350 0.002 0.000 0.265 815 E C 0.176 176.706 176.600 -0.117 0.000 0.882 815 E CA -1.122 55.250 56.400 -0.047 0.000 0.759 815 E CB 1.189 30.868 29.700 -0.035 0.000 1.148 815 E HN 0.028 nan 8.360 nan 0.000 0.412 816 R N 3.178 123.618 120.500 -0.099 0.000 2.370 816 R HA 0.279 4.620 4.340 0.002 0.000 0.309 816 R C -0.176 176.023 176.300 -0.169 0.000 1.059 816 R CA 0.253 56.273 56.100 -0.133 0.000 0.981 816 R CB 0.178 30.453 30.300 -0.041 0.000 0.972 816 R HN 0.538 nan 8.270 nan 0.000 0.437 817 R N 3.119 123.419 120.500 -0.333 0.000 2.837 817 R HA 0.589 4.930 4.340 0.002 0.000 0.271 817 R C -0.327 175.962 176.300 -0.019 0.000 0.993 817 R CA -0.993 54.983 56.100 -0.206 0.000 0.931 817 R CB 1.975 32.120 30.300 -0.259 0.000 1.206 817 R HN 0.421 nan 8.270 nan 0.000 0.474 818 I N 1.535 122.188 120.570 0.138 0.000 2.447 818 I HA 0.407 4.578 4.170 0.002 0.000 0.287 818 I C -0.264 175.944 176.117 0.151 0.000 1.023 818 I CA -0.693 60.716 61.300 0.183 0.000 1.083 818 I CB 2.042 40.127 38.000 0.143 0.000 1.245 818 I HN 0.314 nan 8.210 nan 0.000 0.434 819 R N 5.677 126.256 120.500 0.133 0.000 2.294 819 R HA 0.731 5.072 4.340 0.002 0.000 0.319 819 R C -1.566 174.626 176.300 -0.180 0.000 0.984 819 R CA -0.427 55.662 56.100 -0.018 0.000 0.861 819 R CB 1.550 31.874 30.300 0.040 0.000 1.104 819 R HN 0.474 nan 8.270 nan 0.000 0.451 820 V N 4.763 124.510 119.914 -0.278 0.000 2.540 820 V HA 0.413 4.534 4.120 0.002 0.000 0.302 820 V C -0.601 175.323 176.094 -0.282 0.000 1.035 820 V CA -0.856 61.304 62.300 -0.232 0.000 0.873 820 V CB 1.768 33.502 31.823 -0.147 0.000 0.992 820 V HN 0.787 nan 8.190 nan 0.000 0.428 821 H N 1.765 120.923 119.070 0.148 0.000 2.622 821 H HA 0.704 5.262 4.556 0.002 0.000 0.363 821 H C -0.723 174.840 175.328 0.392 0.000 1.151 821 H CA -0.470 55.723 56.048 0.242 0.000 1.184 821 H CB 2.485 32.381 29.762 0.224 0.000 1.643 821 H HN 0.609 nan 8.280 nan 0.000 0.531 822 T N 2.865 117.748 114.554 0.549 0.000 2.921 822 T HA 0.316 4.667 4.350 0.002 0.000 0.297 822 T C -0.737 174.228 174.700 0.441 0.000 1.013 822 T CA -0.662 61.745 62.100 0.511 0.000 0.990 822 T CB 1.741 70.893 68.868 0.474 0.000 1.023 822 T HN 0.230 nan 8.240 nan 0.000 0.447 823 L N 2.845 124.164 121.223 0.161 0.000 2.356 823 L HA 0.806 5.147 4.340 0.002 0.000 0.277 823 L C -0.892 175.808 176.870 -0.283 0.000 0.996 823 L CA -0.612 54.153 54.840 -0.125 0.000 0.822 823 L CB 1.194 42.964 42.059 -0.482 0.000 1.256 823 L HN 0.918 nan 8.230 nan 0.000 0.413 824 C N 6.609 125.556 119.300 -0.588 0.000 2.379 824 C HA 0.833 5.294 4.460 0.002 0.000 0.323 824 C C -0.681 174.094 174.990 -0.358 0.000 1.262 824 C CA -0.701 57.908 59.018 -0.682 0.000 1.581 824 C CB -0.144 26.745 27.740 -1.419 0.000 2.221 824 C HN 0.875 nan 8.230 nan 0.000 0.497 825 L N 6.873 127.971 121.223 -0.207 0.000 2.359 825 L HA 0.711 5.052 4.340 0.002 0.000 0.256 825 L C -2.268 174.564 176.870 -0.063 0.000 1.026 825 L CA -1.721 53.069 54.840 -0.083 0.000 0.828 825 L CB 2.672 44.752 42.059 0.035 0.000 1.406 825 L HN 0.471 nan 8.230 nan 0.000 0.413 826 P HA 0.297 nan 4.420 nan 0.000 0.285 826 P C -1.179 176.122 177.300 0.001 0.000 1.269 826 P CA -0.461 62.631 63.100 -0.012 0.000 0.844 826 P CB 2.210 33.910 31.700 -0.000 0.000 1.094 827 V N 2.167 122.083 119.914 0.003 0.000 2.547 827 V HA 0.467 4.588 4.120 0.002 0.000 0.299 827 V C 0.682 176.782 176.094 0.009 0.000 1.040 827 V CA -0.498 61.807 62.300 0.009 0.000 0.913 827 V CB 1.685 33.514 31.823 0.010 0.000 0.992 827 V HN 0.516 nan 8.190 nan 0.000 0.449 828 V N 1.384 121.304 119.914 0.010 0.000 3.130 828 V HA 0.784 4.905 4.120 0.002 0.000 0.310 828 V C 0.135 176.236 176.094 0.011 0.000 1.158 828 V CA -0.177 62.130 62.300 0.012 0.000 1.029 828 V CB 2.041 33.874 31.823 0.017 0.000 1.057 828 V HN 0.828 nan 8.190 nan 0.000 0.436 829 S N -1.249 114.460 115.700 0.015 0.000 2.819 829 S HA 0.325 4.797 4.470 0.002 0.000 0.249 829 S C 0.382 174.995 174.600 0.022 0.000 1.030 829 S CA -0.141 58.068 58.200 0.014 0.000 1.052 829 S CB 0.103 63.310 63.200 0.012 0.000 1.017 829 S HN 0.861 nan 8.310 nan 0.000 0.576 830 T N 2.319 116.892 114.554 0.031 0.000 2.779 830 T HA 0.457 4.808 4.350 0.002 0.000 0.280 830 T C 1.080 175.825 174.700 0.074 0.000 0.987 830 T CA -0.603 61.527 62.100 0.051 0.000 0.966 830 T CB 1.540 70.442 68.868 0.056 0.000 0.933 830 T HN 0.130 nan 8.240 nan 0.000 0.442 831 L N 3.423 124.705 121.223 0.100 0.000 1.990 831 L HA -0.196 4.145 4.340 0.002 0.000 0.213 831 L C 2.790 179.852 176.870 0.319 0.000 1.072 831 L CA 1.538 56.477 54.840 0.165 0.000 0.755 831 L CB -0.237 41.962 42.059 0.232 0.000 0.889 831 L HN 0.750 nan 8.230 nan 0.000 0.432 832 N N -0.181 118.702 118.700 0.305 0.000 2.094 832 N HA -0.251 4.490 4.740 0.002 0.000 0.191 832 N C 1.325 177.001 175.510 0.278 0.000 1.023 832 N CA 2.029 55.282 53.050 0.340 0.000 0.857 832 N CB -0.066 38.529 38.487 0.181 0.000 1.013 832 N HN 0.359 nan 8.380 nan 0.000 0.426 833 D N 0.292 120.789 120.400 0.162 0.000 2.117 833 D HA -0.085 4.557 4.640 0.002 0.000 0.197 833 D C 2.119 178.466 176.300 0.079 0.000 0.987 833 D CA 0.601 54.665 54.000 0.106 0.000 0.829 833 D CB -0.295 40.543 40.800 0.064 0.000 0.961 833 D HN 0.119 nan 8.370 nan 0.000 0.460 834 V N 0.446 120.379 119.914 0.032 0.000 2.392 834 V HA -0.234 3.887 4.120 0.002 0.000 0.249 834 V C 2.148 178.176 176.094 -0.110 0.000 1.059 834 V CA 1.326 63.574 62.300 -0.086 0.000 1.051 834 V CB -0.644 31.057 31.823 -0.203 0.000 0.658 834 V HN 0.113 nan 8.190 nan 0.000 0.455 835 F N -0.428 119.539 119.950 0.029 0.000 2.163 835 F HA -0.047 4.481 4.527 0.002 0.000 0.297 835 F C 2.150 177.948 175.800 -0.003 0.000 1.094 835 F CA 1.198 59.201 58.000 0.005 0.000 1.290 835 F CB -0.319 38.718 39.000 0.060 0.000 1.017 835 F HN 0.027 nan 8.300 nan 0.000 0.483 836 L N -0.637 120.723 121.223 0.227 0.000 2.349 836 L HA -0.160 4.181 4.340 0.002 0.000 0.220 836 L C 2.244 179.168 176.870 0.091 0.000 1.130 836 L CA 1.256 56.183 54.840 0.146 0.000 0.791 836 L CB -0.966 41.167 42.059 0.123 0.000 0.918 836 L HN 0.261 nan 8.230 nan 0.000 0.444 837 G N -0.903 107.930 108.800 0.055 0.000 3.159 837 G HA2 0.318 4.280 3.960 0.002 0.000 0.232 837 G HA3 0.318 4.280 3.960 0.002 0.000 0.232 837 G C 0.676 175.565 174.900 -0.017 0.000 1.116 837 G CA 0.300 45.410 45.100 0.017 0.000 0.767 837 G HN 0.297 nan 8.290 nan 0.000 0.547 838 A N 0.863 123.667 122.820 -0.027 0.000 2.567 838 A HA 0.315 4.636 4.320 0.002 0.000 0.240 838 A C -0.172 177.366 177.584 -0.077 0.000 1.053 838 A CA 0.224 52.210 52.037 -0.084 0.000 0.755 838 A CB 0.254 19.195 19.000 -0.099 0.000 0.978 838 A HN 0.163 nan 8.150 nan 0.000 0.507 839 D N 3.203 123.545 120.400 -0.096 0.000 2.454 839 D HA 0.195 4.836 4.640 0.002 0.000 0.225 839 D C 1.024 177.269 176.300 -0.092 0.000 1.081 839 D CA -0.296 53.661 54.000 -0.071 0.000 0.864 839 D CB 1.342 42.105 40.800 -0.061 0.000 1.040 839 D HN 0.213 nan 8.370 nan 0.000 0.517 840 V N 4.651 124.521 119.914 -0.073 0.000 2.287 840 V HA -0.286 3.835 4.120 0.002 0.000 0.248 840 V C 2.045 178.181 176.094 0.071 0.000 1.053 840 V CA 2.044 64.321 62.300 -0.040 0.000 1.027 840 V CB -0.086 31.764 31.823 0.044 0.000 0.646 840 V HN 0.590 nan 8.190 nan 0.000 0.447 841 Q N -0.415 119.419 119.800 0.056 0.000 2.084 841 Q HA -0.147 4.194 4.340 0.002 0.000 0.202 841 Q C 2.403 178.374 176.000 -0.048 0.000 0.978 841 Q CA 1.794 57.576 55.803 -0.034 0.000 0.844 841 Q CB -0.452 28.218 28.738 -0.113 0.000 0.898 841 Q HN 0.766 nan 8.270 nan 0.000 0.426 842 A N 1.028 123.818 122.820 -0.051 0.000 1.883 842 A HA -0.201 4.120 4.320 0.002 0.000 0.217 842 A C 2.051 179.603 177.584 -0.052 0.000 1.186 842 A CA 1.302 53.305 52.037 -0.056 0.000 0.624 842 A CB -0.711 18.253 19.000 -0.061 0.000 0.822 842 A HN 0.312 nan 8.150 nan 0.000 0.444 843 I N -0.171 120.362 120.570 -0.061 0.000 2.179 843 I HA -0.252 3.920 4.170 0.002 0.000 0.242 843 I C 2.736 178.877 176.117 0.038 0.000 1.088 843 I CA 1.466 62.734 61.300 -0.053 0.000 1.357 843 I CB -0.357 37.540 38.000 -0.172 0.000 1.051 843 I HN 0.251 nan 8.210 nan 0.000 0.409 844 S N 0.829 116.586 115.700 0.095 0.000 2.359 844 S HA -0.198 4.274 4.470 0.002 0.000 0.223 844 S C 2.132 176.754 174.600 0.036 0.000 1.039 844 S CA 1.603 59.885 58.200 0.136 0.000 1.042 844 S CB -1.004 62.274 63.200 0.130 0.000 0.915 844 S HN 0.662 nan 8.310 nan 0.000 0.439 845 G N 1.721 110.510 108.800 -0.018 0.000 2.459 845 G HA2 -0.188 3.773 3.960 0.002 0.000 0.217 845 G HA3 -0.188 3.773 3.960 0.002 0.000 0.217 845 G C 1.385 176.245 174.900 -0.068 0.000 1.183 845 G CA 1.033 46.102 45.100 -0.051 0.000 0.776 845 G HN 0.413 nan 8.290 nan 0.000 0.552 846 L N 0.533 121.714 121.223 -0.070 0.000 2.079 846 L HA 0.063 4.405 4.340 0.002 0.000 0.210 846 L C 2.673 179.472 176.870 -0.119 0.000 1.081 846 L CA 1.329 56.102 54.840 -0.112 0.000 0.752 846 L CB -0.437 41.575 42.059 -0.078 0.000 0.896 846 L HN 0.237 nan 8.230 nan 0.000 0.433 847 L N -1.013 120.182 121.223 -0.046 0.000 2.056 847 L HA -0.144 4.197 4.340 0.002 0.000 0.207 847 L C 2.674 179.502 176.870 -0.070 0.000 1.078 847 L CA 1.066 55.885 54.840 -0.035 0.000 0.749 847 L CB -0.926 41.153 42.059 0.033 0.000 0.901 847 L HN 0.348 nan 8.230 nan 0.000 0.433 848 A N 0.304 123.105 122.820 -0.032 0.000 1.883 848 A HA -0.259 4.063 4.320 0.002 0.000 0.217 848 A C 2.106 179.723 177.584 0.055 0.000 1.186 848 A CA 2.131 54.204 52.037 0.060 0.000 0.624 848 A CB -0.781 18.275 19.000 0.093 0.000 0.822 848 A HN 0.488 nan 8.150 nan 0.000 0.444 849 N N -0.717 117.924 118.700 -0.099 0.000 2.104 849 N HA -0.155 4.587 4.740 0.002 0.000 0.190 849 N C 1.895 177.299 175.510 -0.176 0.000 1.024 849 N CA 1.849 54.776 53.050 -0.206 0.000 0.853 849 N CB -0.275 37.883 38.487 -0.550 0.000 1.008 849 N HN 0.537 nan 8.380 nan 0.000 0.424 850 M N 0.777 120.253 119.600 -0.205 0.000 2.117 850 M HA -0.120 4.361 4.480 0.002 0.000 0.262 850 M C 2.416 178.715 176.300 -0.001 0.000 1.065 850 M CA 1.365 56.630 55.300 -0.058 0.000 1.114 850 M CB -0.238 32.334 32.600 -0.048 0.000 1.361 850 M HN 0.145 nan 8.290 nan 0.000 0.408 851 A N -0.212 122.578 122.820 -0.049 0.000 1.933 851 A HA -0.104 4.217 4.320 0.002 0.000 0.218 851 A C 2.227 179.895 177.584 0.140 0.000 1.175 851 A CA 1.623 53.595 52.037 -0.110 0.000 0.628 851 A CB -0.993 17.665 19.000 -0.571 0.000 0.814 851 A HN 0.307 nan 8.150 nan 0.000 0.444 852 V N 0.599 120.672 119.914 0.266 0.000 2.295 852 V HA -0.252 3.869 4.120 0.002 0.000 0.246 852 V C 2.175 178.355 176.094 0.142 0.000 1.049 852 V CA 2.358 64.803 62.300 0.241 0.000 1.024 852 V CB -0.858 31.035 31.823 0.116 0.000 0.648 852 V HN 0.485 nan 8.190 nan 0.000 0.447 853 D N -0.307 120.169 120.400 0.126 0.000 2.144 853 D HA -0.164 4.477 4.640 0.002 0.000 0.199 853 D C 2.288 178.649 176.300 0.101 0.000 0.984 853 D CA 1.099 55.173 54.000 0.123 0.000 0.834 853 D CB -0.333 40.568 40.800 0.168 0.000 0.955 853 D HN 0.205 nan 8.370 nan 0.000 0.465 854 R N 1.068 121.621 120.500 0.088 0.000 2.091 854 R HA -0.080 4.261 4.340 0.002 0.000 0.238 854 R C 1.974 178.315 176.300 0.068 0.000 1.136 854 R CA 1.660 57.797 56.100 0.063 0.000 0.959 854 R CB -0.717 29.600 30.300 0.028 0.000 0.856 854 R HN 0.029 nan 8.270 nan 0.000 0.437 855 S N 0.386 116.142 115.700 0.093 0.000 2.343 855 S HA -0.141 4.330 4.470 0.002 0.000 0.219 855 S C 1.873 176.517 174.600 0.073 0.000 1.033 855 S CA 1.575 59.832 58.200 0.094 0.000 1.014 855 S CB -0.267 63.015 63.200 0.136 0.000 0.915 855 S HN 0.222 nan 8.310 nan 0.000 0.435 856 M N 1.241 120.885 119.600 0.074 0.000 2.144 856 M HA -0.083 4.398 4.480 0.002 0.000 0.260 856 M C 2.268 178.606 176.300 0.064 0.000 1.067 856 M CA 1.442 56.781 55.300 0.065 0.000 1.095 856 M CB -2.029 30.613 32.600 0.070 0.000 1.365 856 M HN 0.297 nan 8.290 nan 0.000 0.406 857 T N 0.058 114.652 114.554 0.066 0.000 2.894 857 T HA 0.203 4.554 4.350 0.002 0.000 0.258 857 T C 1.389 176.118 174.700 0.048 0.000 1.043 857 T CA 1.223 63.359 62.100 0.059 0.000 1.141 857 T CB 0.273 69.180 68.868 0.065 0.000 0.873 857 T HN 0.451 nan 8.240 nan 0.000 0.449 858 A N 0.701 123.549 122.820 0.047 0.000 2.336 858 A HA 0.743 5.064 4.320 0.002 0.000 0.212 858 A C 0.528 178.135 177.584 0.038 0.000 2.317 858 A CA 0.479 52.538 52.037 0.038 0.000 1.564 858 A CB 0.139 19.159 19.000 0.032 0.000 1.096 858 A HN 0.517 nan 8.150 nan 0.000 0.441 859 S N -2.645 113.078 115.700 0.038 0.000 2.656 859 S HA 0.468 4.939 4.470 0.002 0.000 0.273 859 S C 0.254 174.884 174.600 0.050 0.000 1.168 859 S CA 0.124 58.349 58.200 0.041 0.000 0.817 859 S CB 0.667 63.885 63.200 0.030 0.000 1.146 859 S HN 1.028 nan 8.310 nan 0.000 0.475 860 L N 1.965 123.223 121.223 0.058 0.000 2.083 860 L HA 0.053 4.395 4.340 0.002 0.000 0.209 860 L C 2.409 179.311 176.870 0.053 0.000 1.083 860 L CA 2.494 57.384 54.840 0.083 0.000 0.752 860 L CB -1.175 40.932 42.059 0.080 0.000 0.899 860 L HN 0.839 nan 8.230 nan 0.000 0.433 861 S N -0.391 115.328 115.700 0.032 0.000 2.348 861 S HA -0.197 4.275 4.470 0.002 0.000 0.221 861 S C 1.642 176.244 174.600 0.003 0.000 1.033 861 S CA 1.466 59.675 58.200 0.015 0.000 1.010 861 S CB -0.616 62.592 63.200 0.013 0.000 0.891 861 S HN 0.535 nan 8.310 nan 0.000 0.442 862 D N 1.822 122.227 120.400 0.008 0.000 2.144 862 D HA -0.042 4.599 4.640 0.002 0.000 0.199 862 D C 2.193 178.481 176.300 -0.020 0.000 0.984 862 D CA 1.230 55.230 54.000 0.000 0.000 0.834 862 D CB -0.353 40.453 40.800 0.011 0.000 0.955 862 D HN 0.414 nan 8.370 nan 0.000 0.465 863 A N 1.522 124.331 122.820 -0.019 0.000 1.858 863 A HA -0.197 4.124 4.320 0.002 0.000 0.216 863 A C 2.215 179.698 177.584 -0.168 0.000 1.190 863 A CA 1.267 53.257 52.037 -0.078 0.000 0.617 863 A CB -0.517 18.474 19.000 -0.015 0.000 0.827 863 A HN 0.122 nan 8.150 nan 0.000 0.443 864 R N -0.378 120.051 120.500 -0.118 0.000 2.105 864 R HA -0.130 4.211 4.340 0.002 0.000 0.239 864 R C 1.622 177.865 176.300 -0.094 0.000 1.135 864 R CA 1.498 57.520 56.100 -0.130 0.000 0.967 864 R CB -0.403 29.868 30.300 -0.049 0.000 0.861 864 R HN 0.514 nan 8.270 nan 0.000 0.442 865 D N 0.564 120.930 120.400 -0.056 0.000 2.084 865 D HA -0.086 4.555 4.640 0.002 0.000 0.196 865 D C 1.892 178.170 176.300 -0.036 0.000 0.985 865 D CA 1.493 55.475 54.000 -0.031 0.000 0.826 865 D CB -0.399 40.394 40.800 -0.012 0.000 0.978 865 D HN 0.195 nan 8.370 nan 0.000 0.456 866 A N 0.869 123.662 122.820 -0.046 0.000 1.948 866 A HA -0.177 4.144 4.320 0.002 0.000 0.220 866 A C 2.393 179.945 177.584 -0.053 0.000 1.177 866 A CA 1.087 53.101 52.037 -0.038 0.000 0.636 866 A CB -0.844 18.132 19.000 -0.039 0.000 0.815 866 A HN 0.202 nan 8.150 nan 0.000 0.449 867 L N -0.852 120.309 121.223 -0.104 0.000 1.976 867 L HA -0.179 4.163 4.340 0.002 0.000 0.209 867 L C 2.579 179.410 176.870 -0.065 0.000 1.071 867 L CA 1.469 56.238 54.840 -0.119 0.000 0.746 867 L CB -0.621 41.306 42.059 -0.219 0.000 0.890 867 L HN 0.255 nan 8.230 nan 0.000 0.432 868 V N 0.301 120.196 119.914 -0.032 0.000 2.380 868 V HA -0.304 3.817 4.120 0.002 0.000 0.251 868 V C 2.168 178.251 176.094 -0.018 0.000 1.063 868 V CA 1.854 64.165 62.300 0.019 0.000 1.055 868 V CB -0.778 31.067 31.823 0.035 0.000 0.657 868 V HN 0.509 nan 8.190 nan 0.000 0.455 869 N N 0.386 119.080 118.700 -0.011 0.000 2.309 869 N HA -0.086 4.656 4.740 0.002 0.000 0.182 869 N C 1.864 177.383 175.510 0.014 0.000 1.018 869 N CA 1.465 54.516 53.050 0.002 0.000 0.876 869 N CB -0.371 38.120 38.487 0.008 0.000 0.972 869 N HN 0.522 nan 8.380 nan 0.000 0.434 870 A N 0.703 123.532 122.820 0.015 0.000 1.902 870 A HA -0.069 4.252 4.320 0.002 0.000 0.217 870 A C 2.477 180.125 177.584 0.106 0.000 1.181 870 A CA 1.216 53.305 52.037 0.087 0.000 0.623 870 A CB -0.644 18.431 19.000 0.124 0.000 0.818 870 A HN 0.098 nan 8.150 nan 0.000 0.443 871 V N 0.263 120.103 119.914 -0.122 0.000 2.307 871 V HA -0.248 3.874 4.120 0.002 0.000 0.245 871 V C 2.424 178.501 176.094 -0.029 0.000 1.045 871 V CA 1.960 64.112 62.300 -0.247 0.000 1.024 871 V CB -0.761 30.807 31.823 -0.425 0.000 0.651 871 V HN 0.563 nan 8.190 nan 0.000 0.449 872 I N 0.352 120.894 120.570 -0.048 0.000 2.099 872 I HA -0.246 3.925 4.170 0.002 0.000 0.239 872 I C 2.285 178.426 176.117 0.039 0.000 1.066 872 I CA 1.825 63.111 61.300 -0.023 0.000 1.324 872 I CB -0.652 37.327 38.000 -0.034 0.000 1.037 872 I HN 0.288 nan 8.210 nan 0.000 0.401 873 D N 0.583 121.018 120.400 0.059 0.000 2.265 873 D HA -0.133 4.509 4.640 0.002 0.000 0.208 873 D C 2.334 178.722 176.300 0.145 0.000 0.977 873 D CA 1.729 55.780 54.000 0.084 0.000 0.871 873 D CB -0.115 40.728 40.800 0.071 0.000 0.925 873 D HN 0.442 nan 8.370 nan 0.000 0.485 874 S N -0.060 115.763 115.700 0.205 0.000 2.404 874 S HA 0.028 4.499 4.470 0.002 0.000 0.223 874 S C 2.184 176.986 174.600 0.338 0.000 1.040 874 S CA 0.073 58.460 58.200 0.313 0.000 0.957 874 S CB -0.491 62.944 63.200 0.393 0.000 0.826 874 S HN 0.179 nan 8.310 nan 0.000 0.491 875 L N 1.443 122.804 121.223 0.229 0.000 2.217 875 L HA 0.040 4.381 4.340 0.002 0.000 0.211 875 L C 2.972 179.932 176.870 0.150 0.000 1.107 875 L CA 1.103 56.041 54.840 0.162 0.000 0.783 875 L CB -0.558 41.551 42.059 0.082 0.000 0.919 875 L HN 0.434 nan 8.230 nan 0.000 0.442 876 S N -0.043 115.727 115.700 0.116 0.000 2.357 876 S HA -0.089 4.382 4.470 0.002 0.000 0.221 876 S C 2.174 176.835 174.600 0.101 0.000 1.031 876 S CA 1.095 59.340 58.200 0.074 0.000 0.982 876 S CB 0.025 63.252 63.200 0.044 0.000 0.853 876 S HN 0.417 nan 8.310 nan 0.000 0.458 877 A N 0.228 123.145 122.820 0.161 0.000 1.940 877 A HA -0.083 4.238 4.320 0.002 0.000 0.219 877 A C 1.994 179.703 177.584 0.209 0.000 1.176 877 A CA 1.764 53.915 52.037 0.190 0.000 0.631 877 A CB -1.138 18.016 19.000 0.257 0.000 0.814 877 A HN 0.719 nan 8.150 nan 0.000 0.446 878 Y N 0.383 120.722 120.300 0.066 0.000 2.089 878 Y HA -0.239 4.312 4.550 0.002 0.000 0.282 878 Y C 2.560 178.388 175.900 -0.119 0.000 1.139 878 Y CA 2.249 60.237 58.100 -0.187 0.000 1.123 878 Y CB -0.516 37.696 38.460 -0.412 0.000 0.980 878 Y HN 0.340 nan 8.280 nan 0.000 0.493 879 R N -0.383 120.083 120.500 -0.057 0.000 2.083 879 R HA -0.165 4.176 4.340 0.002 0.000 0.237 879 R C 2.196 178.420 176.300 -0.127 0.000 1.137 879 R CA 1.886 57.915 56.100 -0.119 0.000 0.951 879 R CB -0.571 29.716 30.300 -0.023 0.000 0.851 879 R HN 0.297 nan 8.270 nan 0.000 0.434 880 S N -0.495 115.168 115.700 -0.062 0.000 2.528 880 S HA -0.077 4.394 4.470 0.002 0.000 0.244 880 S C 1.135 175.692 174.600 -0.072 0.000 0.982 880 S CA 1.152 59.323 58.200 -0.047 0.000 0.953 880 S CB 0.034 63.230 63.200 -0.007 0.000 0.754 880 S HN 0.287 nan 8.310 nan 0.000 0.529 881 S N 0.692 116.311 115.700 -0.134 0.000 2.751 881 S HA 0.467 4.938 4.470 0.002 0.000 0.247 881 S C -0.193 174.256 174.600 -0.253 0.000 1.103 881 S CA -0.415 57.697 58.200 -0.147 0.000 1.090 881 S CB -0.370 62.780 63.200 -0.083 0.000 0.928 881 S HN 0.311 nan 8.310 nan 0.000 0.502 889 G N 1.264 110.057 108.800 -0.012 0.000 2.489 889 G HA2 0.460 4.422 3.960 0.002 0.000 0.271 889 G HA3 0.460 4.422 3.960 0.002 0.000 0.271 889 G C -0.607 174.282 174.900 -0.018 0.000 1.427 889 G CA -0.238 44.854 45.100 -0.013 0.000 1.057 889 G HN 0.208 nan 8.290 nan 0.000 0.532 890 L N 1.223 122.433 121.223 -0.021 0.000 2.328 890 L HA 0.402 4.743 4.340 0.002 0.000 0.280 890 L C -0.021 176.852 176.870 0.006 0.000 1.111 890 L CA -0.702 54.122 54.840 -0.026 0.000 0.909 890 L CB 0.232 42.255 42.059 -0.061 0.000 1.277 890 L HN 0.184 nan 8.230 nan 0.000 0.433 891 M N 6.050 125.669 119.600 0.031 0.000 2.180 891 M HA 0.561 5.043 4.480 0.002 0.000 0.358 891 M C -0.122 176.239 176.300 0.102 0.000 1.233 891 M CA -0.517 54.829 55.300 0.076 0.000 1.114 891 M CB 0.906 33.565 32.600 0.098 0.000 1.594 891 M HN 0.332 nan 8.290 nan 0.000 0.467 892 V N 1.357 121.281 119.914 0.017 0.000 3.147 892 V HA 0.832 4.953 4.120 0.002 0.000 0.306 892 V C -2.870 173.028 176.094 -0.328 0.000 1.209 892 V CA -1.911 60.240 62.300 -0.249 0.000 1.023 892 V CB 2.370 34.093 31.823 -0.168 0.000 1.059 892 V HN 0.704 nan 8.190 nan 0.000 0.435 893 P HA 0.208 nan 4.420 nan 0.000 0.274 893 P C 0.544 177.789 177.300 -0.092 0.000 1.237 893 P CA -0.146 62.747 63.100 -0.345 0.000 0.793 893 P CB 0.919 32.308 31.700 -0.518 0.000 0.977 894 F N 2.467 122.365 119.950 -0.087 0.000 2.115 894 F HA -0.263 4.265 4.527 0.002 0.000 0.300 894 F C 2.394 178.165 175.800 -0.048 0.000 1.092 894 F CA 2.736 60.707 58.000 -0.047 0.000 1.245 894 F CB -0.891 38.100 39.000 -0.016 0.000 0.995 894 F HN 0.348 nan 8.300 nan 0.000 0.481 895 S N -0.464 115.230 115.700 -0.010 0.000 2.469 895 S HA -0.136 4.335 4.470 0.002 0.000 0.238 895 S C 1.518 176.021 174.600 -0.161 0.000 0.998 895 S CA 1.369 59.517 58.200 -0.087 0.000 0.957 895 S CB -0.751 62.459 63.200 0.015 0.000 0.764 895 S HN 0.479 nan 8.310 nan 0.000 0.514 896 L N 1.287 122.410 121.223 -0.167 0.000 2.857 896 L HA 0.339 4.681 4.340 0.002 0.000 0.249 896 L C 2.256 179.070 176.870 -0.093 0.000 1.172 896 L CA -0.313 54.456 54.840 -0.119 0.000 0.980 896 L CB -0.022 41.988 42.059 -0.081 0.000 1.299 896 L HN 0.307 nan 8.230 nan 0.000 0.535 897 R N 1.105 121.485 120.500 -0.200 0.000 2.249 897 R HA -0.090 4.251 4.340 0.002 0.000 0.230 897 R C 1.016 177.206 176.300 -0.184 0.000 1.121 897 R CA 1.240 57.235 56.100 -0.174 0.000 0.997 897 R CB -0.302 29.848 30.300 -0.250 0.000 0.867 897 R HN 0.424 nan 8.270 nan 0.000 0.465 898 L N -0.200 120.861 121.223 -0.270 0.000 2.857 898 L HA 0.221 4.562 4.340 0.002 0.000 0.249 898 L C 1.257 177.866 176.870 -0.434 0.000 1.172 898 L CA -0.504 54.016 54.840 -0.533 0.000 0.980 898 L CB -0.086 41.459 42.059 -0.856 0.000 1.299 898 L HN -0.042 nan 8.230 nan 0.000 0.535 899 F N 2.910 122.711 119.950 -0.248 0.000 2.128 899 F HA 0.062 4.591 4.527 0.003 0.000 0.295 899 F C -0.588 175.223 175.800 0.019 0.000 1.100 899 F CA 0.499 58.453 58.000 -0.076 0.000 1.260 899 F CB -1.121 37.865 39.000 -0.024 0.000 1.009 899 F HN 0.045 nan 8.300 nan 0.000 0.476 900 P HA -0.127 nan 4.420 nan 0.000 0.217 900 P C 2.004 179.445 177.300 0.234 0.000 1.151 900 P CA 1.035 64.207 63.100 0.120 0.000 0.828 900 P CB -0.085 31.708 31.700 0.156 0.000 0.788 901 L N -1.304 120.004 121.223 0.142 0.000 2.046 901 L HA -0.092 4.249 4.340 0.002 0.000 0.208 901 L C 2.119 179.040 176.870 0.085 0.000 1.077 901 L CA 1.853 56.713 54.840 0.033 0.000 0.747 901 L CB -1.323 40.532 42.059 -0.339 0.000 0.896 901 L HN -0.087 nan 8.230 nan 0.000 0.432 902 F N -2.048 117.934 119.950 0.052 0.000 2.206 902 F HA -0.145 4.383 4.527 0.002 0.000 0.298 902 F C 2.281 178.086 175.800 0.009 0.000 1.090 902 F CA 0.592 58.616 58.000 0.041 0.000 1.323 902 F CB -0.224 38.806 39.000 0.050 0.000 1.028 902 F HN -0.102 nan 8.300 nan 0.000 0.492 903 V N 0.366 120.365 119.914 0.142 0.000 2.358 903 V HA -0.288 3.833 4.120 0.002 0.000 0.246 903 V C 2.241 178.250 176.094 -0.142 0.000 1.047 903 V CA 1.499 63.791 62.300 -0.014 0.000 1.035 903 V CB -0.591 31.155 31.823 -0.127 0.000 0.658 903 V HN 0.275 nan 8.190 nan 0.000 0.452 904 L N 1.231 122.284 121.223 -0.284 0.000 2.012 904 L HA -0.114 4.228 4.340 0.002 0.000 0.210 904 L C 2.445 179.174 176.870 -0.234 0.000 1.073 904 L CA 2.507 56.997 54.840 -0.583 0.000 0.748 904 L CB -1.027 40.641 42.059 -0.651 0.000 0.891 904 L HN 0.208 nan 8.230 nan 0.000 0.431 905 A N -0.714 122.076 122.820 -0.050 0.000 1.940 905 A HA -0.187 4.134 4.320 0.002 0.000 0.219 905 A C 2.206 179.797 177.584 0.012 0.000 1.176 905 A CA 1.935 53.979 52.037 0.013 0.000 0.631 905 A CB -0.931 18.166 19.000 0.161 0.000 0.814 905 A HN 0.459 nan 8.150 nan 0.000 0.446 906 L N -0.369 120.876 121.223 0.036 0.000 2.017 906 L HA -0.084 4.258 4.340 0.002 0.000 0.208 906 L C 2.409 179.351 176.870 0.120 0.000 1.073 906 L CA 1.543 56.440 54.840 0.093 0.000 0.745 906 L CB -0.855 41.246 42.059 0.070 0.000 0.894 906 L HN 0.411 nan 8.230 nan 0.000 0.432 907 L N -1.076 120.136 121.223 -0.019 0.000 2.191 907 L HA -0.224 4.117 4.340 0.002 0.000 0.212 907 L C 2.176 179.043 176.870 -0.006 0.000 1.103 907 L CA 1.130 55.951 54.840 -0.032 0.000 0.769 907 L CB -0.375 41.574 42.059 -0.183 0.000 0.908 907 L HN 0.265 nan 8.230 nan 0.000 0.438 908 K N -0.651 119.726 120.400 -0.038 0.000 2.379 908 K HA 0.005 4.327 4.320 0.002 0.000 0.194 908 K C 0.888 177.475 176.600 -0.021 0.000 1.031 908 K CA -0.175 56.089 56.287 -0.039 0.000 1.037 908 K CB 0.242 32.698 32.500 -0.073 0.000 0.824 908 K HN 0.284 nan 8.250 nan 0.000 0.516 909 Q N 1.972 121.771 119.800 -0.002 0.000 2.479 909 Q HA -0.087 4.254 4.340 0.002 0.000 0.267 909 Q C 0.631 176.597 176.000 -0.055 0.000 1.071 909 Q CA 0.568 56.353 55.803 -0.028 0.000 0.935 909 Q CB 0.748 29.474 28.738 -0.020 0.000 1.295 909 Q HN -0.048 nan 8.270 nan 0.000 0.476 910 K N 1.097 121.451 120.400 -0.078 0.000 2.515 910 K HA -0.074 4.247 4.320 0.002 0.000 0.196 910 K C 1.331 177.829 176.600 -0.169 0.000 1.038 910 K CA 1.040 57.278 56.287 -0.081 0.000 0.967 910 K CB 0.232 32.708 32.500 -0.040 0.000 0.780 910 K HN 0.525 nan 8.250 nan 0.000 0.483 911 S N -0.319 115.196 115.700 -0.309 0.000 2.388 911 S HA 0.021 4.492 4.470 0.002 0.000 0.223 911 S C 0.885 175.047 174.600 -0.730 0.000 1.034 911 S CA 0.689 58.508 58.200 -0.636 0.000 0.963 911 S CB 0.037 62.631 63.200 -1.011 0.000 0.827 911 S HN 0.283 nan 8.310 nan 0.000 0.481 912 F N 1.566 121.486 119.950 -0.050 0.000 2.767 912 F HA 0.294 4.823 4.527 0.002 0.000 0.323 912 F C 0.853 176.627 175.800 -0.042 0.000 1.091 912 F CA -0.954 57.020 58.000 -0.044 0.000 1.192 912 F CB -0.425 38.545 39.000 -0.049 0.000 1.056 912 F HN 0.096 nan 8.300 nan 0.000 0.571 913 Q N 1.098 120.948 119.800 0.083 0.000 2.469 913 Q HA 0.172 4.513 4.340 0.002 0.000 0.279 913 Q C 0.600 176.622 176.000 0.036 0.000 1.097 913 Q CA 1.090 56.917 55.803 0.040 0.000 0.951 913 Q CB 0.675 29.416 28.738 0.006 0.000 1.297 913 Q HN 0.365 nan 8.270 nan 0.000 0.465 914 T N -2.090 112.479 114.554 0.026 0.000 3.393 914 T HA 0.201 4.552 4.350 0.002 0.000 0.231 914 T C 1.811 176.526 174.700 0.025 0.000 0.983 914 T CA 0.301 62.415 62.100 0.024 0.000 1.272 914 T CB -1.124 67.756 68.868 0.020 0.000 1.214 914 T HN 0.679 nan 8.240 nan 0.000 0.368 915 G N 2.367 111.182 108.800 0.024 0.000 2.626 915 G HA2 -0.143 3.818 3.960 0.002 0.000 0.224 915 G HA3 -0.143 3.818 3.960 0.002 0.000 0.224 915 G C 0.908 175.850 174.900 0.070 0.000 1.095 915 G CA 1.517 46.642 45.100 0.041 0.000 0.738 915 G HN 0.668 nan 8.290 nan 0.000 0.600 916 T N -0.127 114.456 114.554 0.048 0.000 2.649 916 T HA 0.015 4.366 4.350 0.002 0.000 0.337 916 T C 1.167 175.909 174.700 0.071 0.000 1.070 916 T CA 0.569 62.698 62.100 0.048 0.000 1.052 916 T CB 0.418 69.302 68.868 0.026 0.000 0.994 916 T HN 0.221 nan 8.240 nan 0.000 0.544 917 N N -0.041 118.692 118.700 0.055 0.000 2.251 917 N HA 0.283 5.025 4.740 0.002 0.000 0.217 917 N C 0.025 175.562 175.510 0.046 0.000 1.124 917 N CA -0.272 52.814 53.050 0.060 0.000 0.843 917 N CB -0.117 38.384 38.487 0.023 0.000 1.024 917 N HN 0.719 nan 8.380 nan 0.000 0.501 918 A N 0.635 123.479 122.820 0.040 0.000 2.531 918 A HA 0.203 4.524 4.320 0.002 0.000 0.236 918 A C 0.532 178.141 177.584 0.041 0.000 1.062 918 A CA 0.042 52.102 52.037 0.039 0.000 0.760 918 A CB 0.303 19.319 19.000 0.027 0.000 0.995 918 A HN 0.378 nan 8.150 nan 0.000 0.501 919 R N 1.275 121.809 120.500 0.055 0.000 2.546 919 R HA 0.311 4.653 4.340 0.002 0.000 0.266 919 R C 0.697 177.033 176.300 0.060 0.000 1.086 919 R CA -0.958 55.179 56.100 0.062 0.000 1.160 919 R CB 0.209 30.563 30.300 0.090 0.000 1.138 919 R HN 0.636 nan 8.270 nan 0.000 0.567 920 L N 1.441 122.706 121.223 0.069 0.000 1.944 920 L HA -0.273 4.068 4.340 0.002 0.000 0.218 920 L C 1.691 178.600 176.870 0.066 0.000 1.075 920 L CA 2.005 56.892 54.840 0.079 0.000 0.767 920 L CB -0.540 41.597 42.059 0.130 0.000 0.890 920 L HN 0.619 nan 8.230 nan 0.000 0.434 921 D N -0.775 119.679 120.400 0.090 0.000 2.221 921 D HA -0.188 4.453 4.640 0.002 0.000 0.204 921 D C 2.089 178.279 176.300 -0.183 0.000 0.982 921 D CA 1.009 54.958 54.000 -0.084 0.000 0.857 921 D CB -0.044 40.684 40.800 -0.119 0.000 0.934 921 D HN 0.521 nan 8.370 nan 0.000 0.475 922 E N 0.449 120.644 120.200 -0.009 0.000 2.031 922 E HA -0.170 4.181 4.350 0.002 0.000 0.193 922 E C 2.206 178.811 176.600 0.008 0.000 0.994 922 E CA 0.564 57.005 56.400 0.067 0.000 0.800 922 E CB -0.024 29.751 29.700 0.125 0.000 0.752 922 E HN 0.164 nan 8.360 nan 0.000 0.447 923 R N 0.693 121.174 120.500 -0.032 0.000 2.083 923 R HA -0.173 4.169 4.340 0.002 0.000 0.237 923 R C 2.337 178.549 176.300 -0.146 0.000 1.137 923 R CA 1.255 57.297 56.100 -0.097 0.000 0.951 923 R CB -0.135 30.119 30.300 -0.078 0.000 0.851 923 R HN 0.118 nan 8.270 nan 0.000 0.434 924 I N 0.619 121.119 120.570 -0.117 0.000 2.163 924 I HA -0.294 3.878 4.170 0.002 0.000 0.243 924 I C 2.290 178.300 176.117 -0.179 0.000 1.085 924 I CA 1.297 62.514 61.300 -0.139 0.000 1.347 924 I CB -1.254 36.678 38.000 -0.113 0.000 1.044 924 I HN 0.197 nan 8.210 nan 0.000 0.408 925 F N 2.036 121.781 119.950 -0.342 0.000 2.216 925 F HA -0.159 4.369 4.527 0.002 0.000 0.300 925 F C 2.400 178.036 175.800 -0.274 0.000 1.085 925 F CA 1.369 59.147 58.000 -0.369 0.000 1.326 925 F CB -0.338 38.351 39.000 -0.517 0.000 1.027 925 F HN 0.035 nan 8.300 nan 0.000 0.497 926 A N 0.459 123.059 122.820 -0.366 0.000 1.930 926 A HA -0.158 4.163 4.320 0.002 0.000 0.217 926 A C 2.253 179.561 177.584 -0.460 0.000 1.175 926 A CA 1.819 53.595 52.037 -0.435 0.000 0.627 926 A CB -0.701 18.132 19.000 -0.279 0.000 0.815 926 A HN 0.504 nan 8.150 nan 0.000 0.443 927 M N -1.519 117.843 119.600 -0.396 0.000 2.288 927 M HA -0.086 4.396 4.480 0.002 0.000 0.266 927 M C 2.226 178.336 176.300 -0.316 0.000 1.072 927 M CA 0.725 55.819 55.300 -0.343 0.000 1.132 927 M CB -0.514 31.926 32.600 -0.266 0.000 1.386 927 M HN 0.495 nan 8.290 nan 0.000 0.432 928 C N 0.422 119.502 119.300 -0.367 0.000 2.446 928 C HA -0.101 4.361 4.460 0.002 0.000 0.277 928 C C 2.887 177.624 174.990 -0.421 0.000 1.275 928 C CA 0.772 59.574 59.018 -0.360 0.000 1.727 928 C CB -0.736 26.800 27.740 -0.339 0.000 2.010 928 C HN 0.525 nan 8.230 nan 0.000 0.486 929 Q N 0.181 119.635 119.800 -0.578 0.000 2.119 929 Q HA -0.086 4.256 4.340 0.002 0.000 0.201 929 Q C 2.427 178.220 176.000 -0.345 0.000 0.972 929 Q CA 1.187 56.674 55.803 -0.526 0.000 0.847 929 Q CB -0.608 27.723 28.738 -0.678 0.000 0.903 929 Q HN 0.566 nan 8.270 nan 0.000 0.433 930 V N 1.440 121.169 119.914 -0.309 0.000 2.343 930 V HA -0.213 3.908 4.120 0.002 0.000 0.247 930 V C 2.257 178.244 176.094 -0.179 0.000 1.051 930 V CA 1.499 63.674 62.300 -0.208 0.000 1.036 930 V CB -0.328 31.394 31.823 -0.169 0.000 0.654 930 V HN 0.224 nan 8.190 nan 0.000 0.451 931 K N -0.340 119.942 120.400 -0.197 0.000 2.288 931 K HA -0.054 4.267 4.320 0.002 0.000 0.201 931 K C 1.748 178.219 176.600 -0.214 0.000 1.048 931 K CA 1.027 57.213 56.287 -0.168 0.000 0.956 931 K CB -0.308 32.085 32.500 -0.179 0.000 0.746 931 K HN 0.572 nan 8.250 nan 0.000 0.461 932 N N -0.169 118.375 118.700 -0.260 0.000 2.273 932 N HA -0.005 4.736 4.740 0.002 0.000 0.192 932 N C -0.290 175.051 175.510 -0.282 0.000 1.132 932 N CA -0.083 52.788 53.050 -0.298 0.000 0.887 932 N CB 0.783 39.095 38.487 -0.293 0.000 1.048 932 N HN 0.137 nan 8.380 nan 0.000 0.490 933 Q N 1.371 121.034 119.800 -0.227 0.000 2.259 933 Q HA 0.336 4.677 4.340 0.002 0.000 0.246 933 Q C -2.530 173.366 176.000 -0.174 0.000 0.920 933 Q CA -1.780 53.926 55.803 -0.160 0.000 0.895 933 Q CB 1.394 30.075 28.738 -0.094 0.000 1.220 933 Q HN 0.116 nan 8.270 nan 0.000 0.439 934 P HA -0.030 nan 4.420 nan 0.000 0.271 934 P C 0.680 177.835 177.300 -0.241 0.000 1.216 934 P CA 0.003 62.924 63.100 -0.298 0.000 0.771 934 P CB 0.629 31.990 31.700 -0.565 0.000 0.864 935 L N 3.520 124.632 121.223 -0.184 0.000 2.095 935 L HA -0.302 4.040 4.340 0.002 0.000 0.229 935 L C 2.113 178.847 176.870 -0.226 0.000 1.097 935 L CA 2.113 56.853 54.840 -0.167 0.000 0.813 935 L CB -0.713 41.271 42.059 -0.124 0.000 0.907 935 L HN 0.209 nan 8.230 nan 0.000 0.445 936 V N -0.671 119.046 119.914 -0.329 0.000 2.278 936 V HA -0.402 3.719 4.120 0.002 0.000 0.251 936 V C 2.098 177.957 176.094 -0.392 0.000 1.062 936 V CA 2.481 64.529 62.300 -0.420 0.000 1.038 936 V CB -0.558 30.892 31.823 -0.620 0.000 0.646 936 V HN 0.526 nan 8.190 nan 0.000 0.447 937 Y N -1.063 119.183 120.300 -0.089 0.000 2.373 937 Y HA -0.064 4.487 4.550 0.002 0.000 0.293 937 Y C 2.161 177.992 175.900 -0.115 0.000 1.129 937 Y CA 0.992 59.036 58.100 -0.092 0.000 1.226 937 Y CB -0.169 38.235 38.460 -0.094 0.000 1.000 937 Y HN 0.362 nan 8.280 nan 0.000 0.549 938 L N -0.236 120.959 121.223 -0.046 0.000 1.994 938 L HA -0.234 4.107 4.340 0.002 0.000 0.208 938 L C 2.089 178.903 176.870 -0.094 0.000 1.071 938 L CA 1.772 56.564 54.840 -0.080 0.000 0.745 938 L CB -0.535 41.461 42.059 -0.105 0.000 0.892 938 L HN 0.125 nan 8.230 nan 0.000 0.431 939 M N -0.923 118.593 119.600 -0.140 0.000 2.086 939 M HA -0.178 4.303 4.480 0.002 0.000 0.261 939 M C 2.284 178.521 176.300 -0.106 0.000 1.067 939 M CA 1.466 56.650 55.300 -0.193 0.000 1.116 939 M CB -1.437 31.001 32.600 -0.270 0.000 1.348 939 M HN 0.259 nan 8.290 nan 0.000 0.407 940 L N -0.370 120.824 121.223 -0.048 0.000 2.083 940 L HA -0.177 4.164 4.340 0.002 0.000 0.209 940 L C 2.305 179.183 176.870 0.013 0.000 1.083 940 L CA 1.649 56.499 54.840 0.016 0.000 0.752 940 L CB -1.590 40.524 42.059 0.092 0.000 0.899 940 L HN 0.340 nan 8.230 nan 0.000 0.433 941 T N -1.063 113.491 114.554 -0.001 0.000 2.698 941 T HA -0.116 4.236 4.350 0.002 0.000 0.260 941 T C 1.872 176.550 174.700 -0.038 0.000 1.044 941 T CA 1.770 63.857 62.100 -0.021 0.000 1.149 941 T CB -0.120 68.722 68.868 -0.044 0.000 0.864 941 T HN 0.300 nan 8.240 nan 0.000 0.419 942 T N 0.466 114.995 114.554 -0.042 0.000 2.708 942 T HA -0.125 4.227 4.350 0.002 0.000 0.266 942 T C 0.973 175.671 174.700 -0.004 0.000 1.037 942 T CA 1.134 63.217 62.100 -0.028 0.000 1.146 942 T CB -0.193 68.661 68.868 -0.024 0.000 0.865 942 T HN 0.331 nan 8.240 nan 0.000 0.435 943 H N 1.622 120.627 119.070 -0.108 0.000 2.541 943 H HA 0.347 4.905 4.556 0.002 0.000 0.246 943 H C -3.007 172.268 175.328 -0.088 0.000 1.341 943 H CA -2.621 53.375 56.048 -0.087 0.000 1.469 943 H CB 0.656 30.368 29.762 -0.082 0.000 1.472 943 H HN 0.114 nan 8.280 nan 0.000 0.503 944 P HA -0.026 nan 4.420 nan 0.000 0.267 944 P C -0.292 176.991 177.300 -0.030 0.000 1.200 944 P CA 0.223 63.297 63.100 -0.044 0.000 0.772 944 P CB 0.771 32.415 31.700 -0.093 0.000 0.855 945 S N 1.848 117.543 115.700 -0.007 0.000 2.489 945 S HA 0.384 4.855 4.470 0.002 0.000 0.277 945 S C -0.212 174.222 174.600 -0.277 0.000 1.230 945 S CA -0.307 57.807 58.200 -0.145 0.000 1.053 945 S CB -0.069 63.072 63.200 -0.099 0.000 0.955 945 S HN 0.320 nan 8.310 nan 0.000 0.488 946 L N 5.066 126.066 121.223 -0.371 0.000 2.325 946 L HA 0.633 4.974 4.340 0.002 0.000 0.281 946 L C -1.774 174.973 176.870 -0.206 0.000 1.004 946 L CA -0.314 54.422 54.840 -0.173 0.000 0.823 946 L CB 0.431 42.440 42.059 -0.084 0.000 1.236 946 L HN 0.601 nan 8.230 nan 0.000 0.415 947 Y N 3.225 123.700 120.300 0.291 0.000 2.499 947 Y HA 0.597 5.148 4.550 0.002 0.000 0.347 947 Y C -0.088 175.928 175.900 0.193 0.000 0.987 947 Y CA -0.905 57.336 58.100 0.235 0.000 1.044 947 Y CB 1.496 40.109 38.460 0.255 0.000 1.245 947 Y HN 0.534 nan 8.280 nan 0.000 0.461 948 R N 1.302 121.909 120.500 0.179 0.000 2.357 948 R HA 0.505 4.846 4.340 0.002 0.000 0.296 948 R C -0.064 176.093 176.300 -0.239 0.000 1.052 948 R CA -0.255 55.672 56.100 -0.289 0.000 0.988 948 R CB 0.861 30.949 30.300 -0.354 0.000 1.025 948 R HN 0.766 nan 8.270 nan 0.000 0.469 949 V N 0.567 120.292 119.914 -0.314 0.000 3.252 949 V HA 0.178 4.299 4.120 0.002 0.000 0.320 949 V C 0.317 176.305 176.094 -0.177 0.000 1.459 949 V CA 0.139 62.334 62.300 -0.176 0.000 1.095 949 V CB 0.654 32.493 31.823 0.028 0.000 0.997 949 V HN 0.883 nan 8.190 nan 0.000 0.469 950 D N 1.552 121.714 120.400 -0.397 0.000 2.325 950 D HA 0.029 4.670 4.640 0.002 0.000 0.225 950 D C 0.429 176.645 176.300 -0.140 0.000 1.096 950 D CA 0.523 54.277 54.000 -0.410 0.000 0.844 950 D CB -0.122 40.165 40.800 -0.855 0.000 0.925 950 D HN 0.724 nan 8.370 nan 0.000 0.513 951 N N 0.669 119.291 118.700 -0.131 0.000 2.550 951 N HA 0.074 4.815 4.740 0.002 0.000 0.277 951 N C -0.464 174.992 175.510 -0.089 0.000 1.595 951 N CA -0.347 52.654 53.050 -0.083 0.000 0.888 951 N CB -0.732 37.700 38.487 -0.092 0.000 1.424 951 N HN 0.045 nan 8.380 nan 0.000 0.501 952 L N 1.008 122.174 121.223 -0.094 0.000 2.467 952 L HA 0.355 4.696 4.340 0.002 0.000 0.270 952 L C 1.223 178.040 176.870 -0.089 0.000 1.205 952 L CA 0.097 54.859 54.840 -0.129 0.000 0.828 952 L CB 0.695 42.658 42.059 -0.161 0.000 1.101 952 L HN 0.515 nan 8.230 nan 0.000 0.479 953 S N -0.757 114.883 115.700 -0.099 0.000 3.923 953 S HA 0.350 4.821 4.470 0.002 0.000 0.280 953 S C -0.037 174.520 174.600 -0.072 0.000 1.070 953 S CA -0.663 57.495 58.200 -0.070 0.000 1.300 953 S CB 0.982 64.147 63.200 -0.057 0.000 1.322 953 S HN 0.562 nan 8.310 nan 0.000 0.762 954 D N 0.606 120.971 120.400 -0.059 0.000 2.398 954 D HA 0.260 4.901 4.640 0.002 0.000 0.210 954 D C 0.067 176.331 176.300 -0.060 0.000 1.094 954 D CA 0.230 54.196 54.000 -0.056 0.000 0.839 954 D CB 0.175 40.951 40.800 -0.040 0.000 0.963 954 D HN 0.442 nan 8.370 nan 0.000 0.506 955 E N 0.847 121.009 120.200 -0.063 0.000 2.461 955 E HA 0.133 4.484 4.350 0.002 0.000 0.196 955 E C 1.159 177.712 176.600 -0.078 0.000 1.129 955 E CA -0.163 56.203 56.400 -0.057 0.000 0.902 955 E CB -0.176 29.497 29.700 -0.046 0.000 0.963 955 E HN 0.159 nan 8.360 nan 0.000 0.503 956 G N 0.136 108.876 108.800 -0.100 0.000 2.553 956 G HA2 0.333 4.294 3.960 0.002 0.000 0.278 956 G HA3 0.333 4.294 3.960 0.002 0.000 0.278 956 G C 0.013 174.829 174.900 -0.139 0.000 1.349 956 G CA -0.207 44.807 45.100 -0.143 0.000 1.037 956 G HN 0.239 nan 8.290 nan 0.000 0.508 957 A N 0.621 123.319 122.820 -0.204 0.000 3.258 957 A HA 0.369 4.690 4.320 0.002 0.000 0.275 957 A C 0.907 178.416 177.584 -0.125 0.000 1.452 957 A CA -0.523 51.411 52.037 -0.172 0.000 1.120 957 A CB -0.816 18.025 19.000 -0.266 0.000 1.107 957 A HN 0.793 nan 8.150 nan 0.000 0.651 958 L N -0.866 120.304 121.223 -0.088 0.000 2.511 958 L HA 0.195 4.536 4.340 0.002 0.000 0.239 958 L C 0.479 177.329 176.870 -0.034 0.000 1.400 958 L CA 0.407 55.212 54.840 -0.057 0.000 1.226 958 L CB -0.912 41.120 42.059 -0.045 0.000 1.475 958 L HN 0.629 nan 8.230 nan 0.000 0.428 959 N N 1.460 120.142 118.700 -0.029 0.000 2.382 959 N HA 0.001 4.742 4.740 0.002 0.000 0.200 959 N C 0.871 176.384 175.510 0.005 0.000 1.122 959 N CA -0.211 52.834 53.050 -0.008 0.000 0.870 959 N CB 0.609 39.094 38.487 -0.003 0.000 1.176 959 N HN 0.400 nan 8.380 nan 0.000 0.474 960 I N 4.140 124.714 120.570 0.006 0.000 2.928 960 I HA -0.079 4.092 4.170 0.002 0.000 0.301 960 I C 1.247 177.378 176.117 0.023 0.000 1.049 960 I CA 0.441 61.758 61.300 0.027 0.000 2.558 960 I CB -2.177 35.849 38.000 0.043 0.000 1.646 960 I HN 0.169 nan 8.210 nan 0.000 1.158 961 S N 4.002 119.713 115.700 0.019 0.000 4.150 961 S HA -0.391 4.080 4.470 0.002 0.000 0.537 961 S C 1.073 175.681 174.600 0.013 0.000 1.375 961 S CA 1.978 60.188 58.200 0.017 0.000 3.753 961 S CB -1.190 62.023 63.200 0.021 0.000 1.831 961 S HN 0.634 nan 8.310 nan 0.000 0.455 962 D N 1.678 122.088 120.400 0.017 0.000 2.417 962 D HA 0.301 4.942 4.640 0.002 0.000 0.207 962 D C 0.695 177.003 176.300 0.014 0.000 1.075 962 D CA -0.019 53.989 54.000 0.015 0.000 0.851 962 D CB -0.051 40.760 40.800 0.017 0.000 0.976 962 D HN 0.616 nan 8.370 nan 0.000 0.505 963 R N -0.322 120.188 120.500 0.018 0.000 2.536 963 R HA 0.583 4.924 4.340 0.002 0.000 0.279 963 R C 0.434 176.731 176.300 -0.005 0.000 1.001 963 R CA -0.216 55.893 56.100 0.016 0.000 1.027 963 R CB 1.564 31.885 30.300 0.036 0.000 1.096 963 R HN -0.106 nan 8.270 nan 0.000 0.502 964 T N 1.415 115.959 114.554 -0.016 0.000 3.115 964 T HA 0.299 4.650 4.350 0.002 0.000 0.235 964 T C -0.040 174.609 174.700 -0.084 0.000 0.999 964 T CA 0.062 62.136 62.100 -0.043 0.000 1.276 964 T CB 0.058 68.903 68.868 -0.038 0.000 0.967 964 T HN 0.571 nan 8.240 nan 0.000 0.420 965 I N 2.110 122.637 120.570 -0.072 0.000 6.895 965 I HA -0.096 4.075 4.170 0.002 0.000 0.126 965 I C -2.777 173.234 176.117 -0.178 0.000 1.832 965 I CA -0.864 60.365 61.300 -0.118 0.000 2.037 965 I CB -0.789 37.051 38.000 -0.267 0.000 3.561 965 I HN 0.242 nan 8.210 nan 0.000 0.169 966 P HA 0.041 nan 4.420 nan 0.000 0.269 966 P C -0.802 176.328 177.300 -0.283 0.000 1.215 966 P CA 0.230 63.205 63.100 -0.208 0.000 0.780 966 P CB 0.747 32.304 31.700 -0.238 0.000 0.898 967 Q N 2.002 121.651 119.800 -0.252 0.000 2.788 967 Q HA 0.310 4.651 4.340 0.002 0.000 0.261 967 Q C -2.025 173.884 176.000 -0.152 0.000 1.029 967 Q CA -1.522 54.164 55.803 -0.195 0.000 0.848 967 Q CB 0.972 29.627 28.738 -0.139 0.000 1.185 967 Q HN 0.456 nan 8.270 nan 0.000 0.482 968 P HA 0.230 nan 4.420 nan 0.000 0.275 968 P C -2.449 174.928 177.300 0.128 0.000 1.228 968 P CA -1.206 61.814 63.100 -0.132 0.000 0.786 968 P CB 0.446 31.965 31.700 -0.301 0.000 0.927 969 P HA 0.190 nan 4.420 nan 0.000 0.271 969 P C 0.048 177.471 177.300 0.204 0.000 1.216 969 P CA 0.022 63.219 63.100 0.162 0.000 0.776 969 P CB 0.725 32.480 31.700 0.092 0.000 0.881 970 I N 2.981 123.643 120.570 0.153 0.000 2.556 970 I HA 0.067 4.238 4.170 0.002 0.000 0.284 970 I C 0.755 176.871 176.117 -0.002 0.000 1.114 970 I CA -0.066 61.224 61.300 -0.017 0.000 1.418 970 I CB 0.043 38.039 38.000 -0.007 0.000 1.394 970 I HN 0.125 nan 8.210 nan 0.000 0.552 971 L N 6.378 127.580 121.223 -0.036 0.000 2.334 971 L HA 0.438 4.780 4.340 0.002 0.000 0.272 971 L C -0.106 176.743 176.870 -0.035 0.000 1.020 971 L CA -0.911 53.925 54.840 -0.007 0.000 0.812 971 L CB 1.059 43.137 42.059 0.031 0.000 1.264 971 L HN 0.535 nan 8.230 nan 0.000 0.439 972 Q N 1.674 121.452 119.800 -0.037 0.000 2.340 972 Q HA 0.294 4.635 4.340 0.002 0.000 0.249 972 Q C -0.575 175.349 176.000 -0.126 0.000 0.957 972 Q CA -0.395 55.380 55.803 -0.047 0.000 0.882 972 Q CB 1.176 29.873 28.738 -0.068 0.000 1.235 972 Q HN 0.448 nan 8.270 nan 0.000 0.439 973 L N 2.260 123.369 121.223 -0.191 0.000 2.449 973 L HA 0.071 4.413 4.340 0.002 0.000 0.266 973 L C 0.154 176.879 176.870 -0.243 0.000 1.321 973 L CA 0.048 54.716 54.840 -0.287 0.000 1.194 973 L CB -0.588 41.212 42.059 -0.432 0.000 1.384 973 L HN 0.412 nan 8.230 nan 0.000 0.438 974 S N 0.201 115.765 115.700 -0.228 0.000 2.543 974 S HA 0.292 4.763 4.470 0.002 0.000 0.271 974 S C 0.713 175.171 174.600 -0.237 0.000 1.148 974 S CA -0.718 57.365 58.200 -0.196 0.000 0.914 974 S CB 1.962 65.086 63.200 -0.128 0.000 1.096 974 S HN 0.071 nan 8.310 nan 0.000 0.471 975 V N 4.344 124.117 119.914 -0.235 0.000 2.828 975 V HA -0.094 4.027 4.120 0.002 0.000 0.260 975 V C 2.044 178.002 176.094 -0.228 0.000 1.101 975 V CA 2.005 64.143 62.300 -0.270 0.000 1.123 975 V CB -0.724 30.970 31.823 -0.215 0.000 0.704 975 V HN 0.895 nan 8.190 nan 0.000 0.493 976 E N -0.306 119.795 120.200 -0.165 0.000 2.472 976 E HA -0.140 4.212 4.350 0.002 0.000 0.200 976 E C 1.752 178.270 176.600 -0.137 0.000 1.046 976 E CA 0.416 56.741 56.400 -0.124 0.000 0.871 976 E CB 0.078 29.726 29.700 -0.087 0.000 0.806 976 E HN 0.495 nan 8.360 nan 0.000 0.533 977 K N -0.232 120.048 120.400 -0.200 0.000 2.370 977 K HA 0.160 4.482 4.320 0.002 0.000 0.194 977 K C 1.182 177.550 176.600 -0.387 0.000 1.070 977 K CA 0.082 56.247 56.287 -0.203 0.000 0.998 977 K CB 0.485 32.883 32.500 -0.170 0.000 0.911 977 K HN 0.094 nan 8.250 nan 0.000 0.533 978 L N 0.559 121.428 121.223 -0.589 0.000 2.420 978 L HA 0.105 4.446 4.340 0.002 0.000 0.198 978 L C 0.662 177.243 176.870 -0.481 0.000 1.165 978 L CA -0.106 54.104 54.840 -1.049 0.000 0.863 978 L CB 0.007 41.495 42.059 -0.953 0.000 1.371 978 L HN -0.006 nan 8.230 nan 0.000 0.536 979 S N -1.954 113.659 115.700 -0.145 0.000 2.583 979 S HA 0.267 4.738 4.470 0.002 0.000 0.294 979 S C -0.016 174.836 174.600 0.419 0.000 1.121 979 S CA -0.799 57.531 58.200 0.217 0.000 0.910 979 S CB 1.179 64.587 63.200 0.347 0.000 1.102 979 S HN 0.548 nan 8.310 nan 0.000 0.451 980 R N 1.881 122.539 120.500 0.263 0.000 2.280 980 R HA 0.072 4.413 4.340 0.002 0.000 0.207 980 R C 0.339 176.689 176.300 0.085 0.000 1.043 980 R CA 0.962 57.181 56.100 0.199 0.000 1.006 980 R CB -0.089 30.268 30.300 0.096 0.000 0.885 980 R HN 0.594 nan 8.270 nan 0.000 0.467 981 D N -0.140 120.328 120.400 0.114 0.000 2.354 981 D HA 0.049 4.691 4.640 0.002 0.000 0.209 981 D C 0.998 177.310 176.300 0.020 0.000 1.015 981 D CA 0.588 54.616 54.000 0.047 0.000 0.867 981 D CB 0.565 41.394 40.800 0.048 0.000 0.933 981 D HN 0.253 nan 8.370 nan 0.000 0.520 982 G N -0.039 108.826 108.800 0.108 0.000 3.175 982 G HA2 0.654 4.615 3.960 0.002 0.000 0.255 982 G HA3 0.654 4.615 3.960 0.002 0.000 0.255 982 G C -1.401 173.425 174.900 -0.122 0.000 1.352 982 G CA -0.425 44.633 45.100 -0.071 0.000 1.037 982 G HN 0.135 nan 8.290 nan 0.000 0.556 983 A N -0.949 121.582 122.820 -0.482 0.000 2.393 983 A HA 0.808 5.129 4.320 0.002 0.000 0.306 983 A C -1.728 175.603 177.584 -0.421 0.000 1.050 983 A CA -0.553 51.260 52.037 -0.373 0.000 0.724 983 A CB 1.038 19.502 19.000 -0.894 0.000 1.248 983 A HN 0.484 nan 8.150 nan 0.000 0.424 984 F N 1.133 121.239 119.950 0.261 0.000 2.529 984 F HA 0.585 5.113 4.527 0.002 0.000 0.320 984 F C -0.203 175.799 175.800 0.336 0.000 1.118 984 F CA -0.571 57.622 58.000 0.321 0.000 0.915 984 F CB 2.227 41.477 39.000 0.418 0.000 1.161 984 F HN 0.561 nan 8.300 nan 0.000 0.445 985 L N 5.167 126.672 121.223 0.470 0.000 2.307 985 L HA 0.632 4.973 4.340 0.002 0.000 0.284 985 L C -0.911 176.273 176.870 0.524 0.000 1.023 985 L CA -0.514 54.599 54.840 0.455 0.000 0.810 985 L CB 1.235 43.548 42.059 0.422 0.000 1.231 985 L HN 0.788 nan 8.230 nan 0.000 0.423 986 M N 5.022 124.905 119.600 0.471 0.000 2.167 986 M HA 0.313 4.794 4.480 0.002 0.000 0.333 986 M C -1.339 175.107 176.300 0.242 0.000 1.030 986 M CA -0.575 54.923 55.300 0.331 0.000 0.963 986 M CB 1.186 33.959 32.600 0.288 0.000 1.589 986 M HN 0.552 nan 8.290 nan 0.000 0.431 987 D N 4.414 124.950 120.400 0.227 0.000 2.380 987 D HA 0.382 5.023 4.640 0.002 0.000 0.230 987 D C 0.001 176.362 176.300 0.101 0.000 1.154 987 D CA 0.014 54.122 54.000 0.180 0.000 0.859 987 D CB 1.453 42.412 40.800 0.265 0.000 1.045 987 D HN 0.728 nan 8.370 nan 0.000 0.495 988 A N 2.683 125.548 122.820 0.076 0.000 2.415 988 A HA 0.526 4.847 4.320 0.002 0.000 0.248 988 A C 1.585 179.198 177.584 0.049 0.000 1.299 988 A CA 0.528 52.593 52.037 0.046 0.000 0.899 988 A CB -0.222 18.803 19.000 0.042 0.000 0.997 988 A HN 0.810 nan 8.150 nan 0.000 0.506 989 G N 0.297 109.136 108.800 0.066 0.000 3.444 989 G HA2 -0.420 3.541 3.960 0.002 0.000 0.222 989 G HA3 -0.420 3.541 3.960 0.002 0.000 0.222 989 G C 1.714 176.616 174.900 0.003 0.000 1.358 989 G CA 1.247 46.395 45.100 0.081 0.000 0.880 989 G HN 1.484 nan 8.290 nan 0.000 0.555 990 S N 0.020 115.707 115.700 -0.023 0.000 2.486 990 S HA 0.534 5.005 4.470 0.002 0.000 0.220 990 S C 1.005 175.620 174.600 0.025 0.000 1.011 990 S CA 1.524 59.689 58.200 -0.058 0.000 0.921 990 S CB 0.157 63.308 63.200 -0.082 0.000 0.785 990 S HN 2.207 nan 8.310 nan 0.000 0.517 991 V N -2.242 117.707 119.914 0.059 0.000 3.167 991 V HA 0.683 4.804 4.120 0.002 0.000 0.310 991 V C -1.042 175.095 176.094 0.072 0.000 1.207 991 V CA -1.324 61.037 62.300 0.102 0.000 1.059 991 V CB 1.718 33.650 31.823 0.182 0.000 1.079 991 V HN 0.202 nan 8.190 nan 0.000 0.446 992 L N 1.315 122.578 121.223 0.066 0.000 2.725 992 L HA 0.475 4.816 4.340 0.002 0.000 0.270 992 L C -0.238 176.647 176.870 0.024 0.000 1.422 992 L CA -0.286 54.588 54.840 0.057 0.000 0.770 992 L CB 0.933 43.013 42.059 0.034 0.000 1.081 992 L HN 0.688 nan 8.230 nan 0.000 0.527 993 M N 1.953 121.514 119.600 -0.065 0.000 2.336 993 M HA -0.056 4.425 4.480 0.002 0.000 0.371 993 M C -0.242 176.053 176.300 -0.009 0.000 1.542 993 M CA 0.662 55.823 55.300 -0.233 0.000 0.959 993 M CB 0.068 32.547 32.600 -0.201 0.000 2.033 993 M HN 0.162 nan 8.290 nan 0.000 0.472 994 L N 6.037 127.222 121.223 -0.062 0.000 2.283 994 L HA 0.439 4.780 4.340 0.002 0.000 0.281 994 L C -1.544 175.294 176.870 -0.054 0.000 1.033 994 L CA -0.264 54.601 54.840 0.042 0.000 0.848 994 L CB 0.403 42.522 42.059 0.100 0.000 1.226 994 L HN 0.725 nan 8.230 nan 0.000 0.429 995 W N 6.476 127.544 121.300 -0.387 0.000 2.322 995 W HA 0.597 5.258 4.660 0.002 0.000 0.307 995 W C -0.971 175.474 176.519 -0.123 0.000 1.220 995 W CA -0.361 56.667 57.345 -0.528 0.000 1.210 995 W CB 1.007 29.644 29.460 -1.372 0.000 1.223 995 W HN 0.384 nan 8.180 nan 0.000 0.511 996 V N 6.760 126.197 119.914 -0.794 0.000 2.630 996 V HA 0.694 4.815 4.120 0.002 0.000 0.305 996 V C 0.808 176.110 176.094 -1.320 0.000 1.046 996 V CA -0.716 61.193 62.300 -0.651 0.000 0.934 996 V CB 1.125 32.850 31.823 -0.163 0.000 1.003 996 V HN 0.740 nan 8.190 nan 0.000 0.451 997 G N 1.128 109.418 108.800 -0.850 0.000 2.476 997 G HA2 0.361 4.322 3.960 0.002 0.000 0.286 997 G HA3 0.361 4.322 3.960 0.002 0.000 0.286 997 G C 0.478 175.065 174.900 -0.522 0.000 1.177 997 G CA -0.342 44.334 45.100 -0.707 0.000 0.870 997 G HN 0.782 nan 8.290 nan 0.000 0.528 998 K N -0.086 119.991 120.400 -0.538 0.000 2.007 998 K HA -0.100 4.221 4.320 0.002 0.000 0.206 998 K C 1.592 177.843 176.600 -0.582 0.000 1.047 998 K CA 1.187 56.919 56.287 -0.924 0.000 0.937 998 K CB -0.052 32.136 32.500 -0.521 0.000 0.718 998 K HN 0.437 nan 8.250 nan 0.000 0.438 999 N N 0.925 119.463 118.700 -0.271 0.000 2.413 999 N HA -0.047 4.694 4.740 0.002 0.000 0.207 999 N C -0.754 174.698 175.510 -0.096 0.000 1.206 999 N CA -0.143 52.821 53.050 -0.144 0.000 0.832 999 N CB -0.732 37.713 38.487 -0.070 0.000 1.037 999 N HN 0.224 nan 8.380 nan 0.000 0.467 1000 C N 0.579 119.801 119.300 -0.129 0.000 2.597 1000 C HA 0.074 4.535 4.460 0.002 0.000 0.412 1000 C C 1.429 176.423 174.990 0.007 0.000 1.348 1000 C CA -0.087 58.896 59.018 -0.059 0.000 1.769 1000 C CB -0.918 26.811 27.740 -0.017 0.000 2.641 1000 C HN 0.611 nan 8.230 nan 0.000 0.612 1001 T N 4.104 118.670 114.554 0.020 0.000 2.903 1001 T HA 0.031 4.382 4.350 0.002 0.000 0.314 1001 T C 1.035 175.797 174.700 0.103 0.000 1.078 1001 T CA 0.303 62.434 62.100 0.053 0.000 1.114 1001 T CB 0.773 69.667 68.868 0.044 0.000 0.987 1001 T HN 0.872 nan 8.240 nan 0.000 0.548 1002 Q N 1.904 121.747 119.800 0.072 0.000 2.083 1002 Q HA -0.103 4.238 4.340 0.002 0.000 0.198 1002 Q C 2.179 178.220 176.000 0.070 0.000 0.969 1002 Q CA 1.747 57.590 55.803 0.066 0.000 0.838 1002 Q CB -0.494 28.267 28.738 0.040 0.000 0.900 1002 Q HN 0.898 nan 8.270 nan 0.000 0.436 1003 N N 0.046 118.790 118.700 0.073 0.000 2.137 1003 N HA -0.189 4.552 4.740 0.002 0.000 0.190 1003 N C 1.443 177.005 175.510 0.086 0.000 1.017 1003 N CA 1.167 54.256 53.050 0.065 0.000 0.859 1003 N CB -0.315 38.211 38.487 0.065 0.000 1.002 1003 N HN 0.151 nan 8.380 nan 0.000 0.428 1004 F N 0.436 120.378 119.950 -0.013 0.000 2.206 1004 F HA 0.102 4.630 4.527 0.002 0.000 0.298 1004 F C 1.770 177.563 175.800 -0.011 0.000 1.090 1004 F CA 0.806 58.797 58.000 -0.017 0.000 1.323 1004 F CB -0.133 38.852 39.000 -0.025 0.000 1.028 1004 F HN 0.058 nan 8.300 nan 0.000 0.492 1005 L N -0.361 120.888 121.223 0.043 0.000 1.976 1005 L HA -0.232 4.109 4.340 0.002 0.000 0.209 1005 L C 2.817 179.626 176.870 -0.103 0.000 1.071 1005 L CA 1.778 56.598 54.840 -0.033 0.000 0.746 1005 L CB -0.999 41.090 42.059 0.050 0.000 0.890 1005 L HN 0.284 nan 8.230 nan 0.000 0.432 1006 S N -1.287 114.377 115.700 -0.059 0.000 2.371 1006 S HA -0.151 4.320 4.470 0.002 0.000 0.224 1006 S C 1.837 176.386 174.600 -0.084 0.000 1.029 1006 S CA 0.552 58.716 58.200 -0.060 0.000 0.978 1006 S CB -0.258 62.925 63.200 -0.029 0.000 0.833 1006 S HN 0.392 nan 8.310 nan 0.000 0.466 1007 Q N 0.169 119.915 119.800 -0.091 0.000 2.398 1007 Q HA 0.224 4.565 4.340 0.002 0.000 0.204 1007 Q C 1.908 177.817 176.000 -0.152 0.000 0.932 1007 Q CA 0.716 56.464 55.803 -0.091 0.000 0.916 1007 Q CB 0.273 28.981 28.738 -0.049 0.000 1.024 1007 Q HN 0.568 nan 8.270 nan 0.000 0.504 1008 V N -0.497 119.241 119.914 -0.294 0.000 3.219 1008 V HA 0.017 4.138 4.120 0.002 0.000 0.240 1008 V C 1.815 177.666 176.094 -0.406 0.000 1.222 1008 V CA 0.418 62.469 62.300 -0.415 0.000 1.181 1008 V CB 0.236 31.576 31.823 -0.805 0.000 0.941 1008 V HN 0.130 nan 8.190 nan 0.000 0.471 1009 L N 0.525 121.486 121.223 -0.436 0.000 2.354 1009 L HA 0.391 4.733 4.340 0.002 0.000 0.212 1009 L C 1.603 178.379 176.870 -0.157 0.000 1.091 1009 L CA 1.051 55.726 54.840 -0.275 0.000 0.828 1009 L CB -0.067 41.842 42.059 -0.250 0.000 0.973 1009 L HN 0.563 nan 8.230 nan 0.000 0.461 1010 G N 0.939 109.655 108.800 -0.140 0.000 2.212 1010 G HA2 -0.198 3.763 3.960 0.002 0.000 0.255 1010 G HA3 -0.198 3.763 3.960 0.002 0.000 0.255 1010 G C -0.250 174.609 174.900 -0.069 0.000 1.062 1010 G CA 0.162 45.209 45.100 -0.088 0.000 0.815 1010 G HN 0.111 nan 8.290 nan 0.000 0.497 1011 V N -0.632 119.240 119.914 -0.070 0.000 3.141 1011 V HA 0.596 4.717 4.120 0.002 0.000 0.312 1011 V C 0.646 176.722 176.094 -0.030 0.000 1.157 1011 V CA -0.749 61.521 62.300 -0.049 0.000 1.041 1011 V CB 1.886 33.675 31.823 -0.056 0.000 1.071 1011 V HN 0.130 nan 8.190 nan 0.000 0.441 1012 Q N 1.236 121.026 119.800 -0.017 0.000 2.378 1012 Q HA 0.221 4.562 4.340 0.002 0.000 0.216 1012 Q C -0.187 175.822 176.000 0.016 0.000 0.892 1012 Q CA 0.323 56.124 55.803 -0.003 0.000 0.931 1012 Q CB 0.312 29.048 28.738 -0.004 0.000 1.086 1012 Q HN 0.978 nan 8.270 nan 0.000 0.528 1013 N N -3.064 115.650 118.700 0.022 0.000 2.745 1013 N HA 0.011 4.752 4.740 0.002 0.000 0.256 1013 N C -0.175 175.384 175.510 0.081 0.000 1.268 1013 N CA -0.658 52.428 53.050 0.059 0.000 0.887 1013 N CB -0.049 38.469 38.487 0.052 0.000 1.575 1013 N HN -0.212 nan 8.380 nan 0.000 0.496 1014 Y N 1.493 121.785 120.300 -0.014 0.000 2.096 1014 Y HA -0.313 4.238 4.550 0.002 0.000 0.278 1014 Y C 2.308 178.191 175.900 -0.028 0.000 1.192 1014 Y CA 3.211 61.296 58.100 -0.026 0.000 1.143 1014 Y CB -0.704 37.736 38.460 -0.032 0.000 0.963 1014 Y HN 0.809 nan 8.280 nan 0.000 0.505 1015 A N -0.708 122.135 122.820 0.037 0.000 1.986 1015 A HA -0.215 4.106 4.320 0.002 0.000 0.220 1015 A C 2.072 179.593 177.584 -0.106 0.000 1.171 1015 A CA 2.096 54.105 52.037 -0.048 0.000 0.640 1015 A CB -1.129 17.888 19.000 0.028 0.000 0.811 1015 A HN 0.579 nan 8.150 nan 0.000 0.451 1016 S N -0.842 114.807 115.700 -0.085 0.000 2.622 1016 S HA 0.416 4.887 4.470 0.002 0.000 0.236 1016 S C 0.182 174.718 174.600 -0.105 0.000 0.956 1016 S CA -0.436 57.716 58.200 -0.080 0.000 0.971 1016 S CB -0.437 62.735 63.200 -0.046 0.000 0.782 1016 S HN 0.384 nan 8.310 nan 0.000 0.468 1017 I N 4.523 124.990 120.570 -0.171 0.000 2.311 1017 I HA 0.189 4.361 4.170 0.002 0.000 0.297 1017 I C -1.970 174.062 176.117 -0.142 0.000 1.131 1017 I CA -2.168 59.031 61.300 -0.168 0.000 1.289 1017 I CB 0.154 38.004 38.000 -0.250 0.000 1.446 1017 I HN 0.063 nan 8.210 nan 0.000 0.524 1018 P HA -0.190 nan 4.420 nan 0.000 0.258 1018 P C 0.466 177.727 177.300 -0.065 0.000 1.136 1018 P CA 0.623 63.682 63.100 -0.068 0.000 0.761 1018 P CB 0.753 32.424 31.700 -0.048 0.000 0.724 1019 Q N 5.189 124.952 119.800 -0.062 0.000 1.549 1019 Q HA -0.156 4.185 4.340 0.002 0.000 0.504 1019 Q C -1.307 174.677 176.000 -0.026 0.000 1.004 1019 Q CA 1.477 57.250 55.803 -0.050 0.000 0.880 1019 Q CB -1.407 27.304 28.738 -0.046 0.000 0.946 1019 Q HN 0.415 nan 8.270 nan 0.000 0.377 1020 P HA 0.075 nan 4.420 nan 0.000 0.276 1020 P C -1.158 176.144 177.300 0.003 0.000 1.253 1020 P CA 0.838 63.929 63.100 -0.015 0.000 0.766 1020 P CB 0.458 32.128 31.700 -0.049 0.000 0.845 1021 M N 3.325 122.951 119.600 0.044 0.000 2.036 1021 M HA 0.132 4.613 4.480 0.002 0.000 0.337 1021 M C 1.263 177.620 176.300 0.094 0.000 1.012 1021 M CA -0.229 55.100 55.300 0.047 0.000 0.962 1021 M CB 0.923 33.544 32.600 0.036 0.000 1.423 1021 M HN 0.238 nan 8.290 nan 0.000 0.405 1022 T N 2.290 116.884 114.554 0.066 0.000 2.977 1022 T HA -0.050 4.302 4.350 0.002 0.000 0.271 1022 T C 0.222 174.997 174.700 0.126 0.000 1.105 1022 T CA 1.410 63.565 62.100 0.091 0.000 1.116 1022 T CB 0.006 68.905 68.868 0.051 0.000 0.878 1022 T HN 0.783 nan 8.240 nan 0.000 0.509 1023 D N -1.377 119.083 120.400 0.100 0.000 2.798 1023 D HA 0.189 4.831 4.640 0.002 0.000 0.265 1023 D C -1.262 175.075 176.300 0.063 0.000 1.223 1023 D CA -0.575 53.487 54.000 0.102 0.000 0.743 1023 D CB 0.678 41.548 40.800 0.117 0.000 1.276 1023 D HN 0.101 nan 8.370 nan 0.000 0.421 1024 L N 1.838 123.095 121.223 0.056 0.000 2.436 1024 L HA 0.414 4.756 4.340 0.002 0.000 0.265 1024 L C -1.614 175.264 176.870 0.013 0.000 1.168 1024 L CA -1.142 53.710 54.840 0.020 0.000 0.815 1024 L CB 0.729 42.797 42.059 0.016 0.000 1.109 1024 L HN 0.251 nan 8.230 nan 0.000 0.462 1025 P HA 0.191 nan 4.420 nan 0.000 0.282 1025 P C -1.307 175.986 177.300 -0.011 0.000 1.259 1025 P CA -0.629 62.464 63.100 -0.012 0.000 0.826 1025 P CB 1.034 32.716 31.700 -0.030 0.000 1.064 1026 E N 1.495 121.694 120.200 -0.001 0.000 2.079 1026 E HA 0.285 4.636 4.350 0.002 0.000 0.252 1026 E C -0.384 176.212 176.600 -0.007 0.000 0.992 1026 E CA -0.390 56.011 56.400 0.002 0.000 0.829 1026 E CB 0.205 29.915 29.700 0.017 0.000 1.158 1026 E HN 0.354 nan 8.360 nan 0.000 0.435 1027 L N 1.412 122.624 121.223 -0.020 0.000 2.399 1027 L HA 0.208 4.550 4.340 0.002 0.000 0.266 1027 L C 0.857 177.718 176.870 -0.016 0.000 1.114 1027 L CA -0.589 54.237 54.840 -0.023 0.000 0.804 1027 L CB 0.656 42.690 42.059 -0.041 0.000 1.146 1027 L HN 0.334 nan 8.230 nan 0.000 0.451 1028 D N 2.206 122.598 120.400 -0.013 0.000 2.545 1028 D HA 0.071 4.712 4.640 0.002 0.000 0.227 1028 D C -0.710 175.583 176.300 -0.011 0.000 1.150 1028 D CA 0.090 54.085 54.000 -0.008 0.000 1.046 1028 D CB 0.023 40.819 40.800 -0.006 0.000 1.098 1028 D HN 0.656 nan 8.370 nan 0.000 0.502 1029 T N -0.052 114.496 114.554 -0.011 0.000 2.956 1029 T HA 0.395 4.746 4.350 0.002 0.000 0.312 1029 T C -2.039 172.658 174.700 -0.005 0.000 1.151 1029 T CA -1.296 60.797 62.100 -0.012 0.000 1.024 1029 T CB 2.317 71.171 68.868 -0.022 0.000 1.140 1029 T HN -0.134 nan 8.240 nan 0.000 0.473 1030 P HA -0.072 nan 4.420 nan 0.000 0.218 1030 P C 0.888 178.191 177.300 0.005 0.000 1.149 1030 P CA 1.172 64.273 63.100 0.002 0.000 0.817 1030 P CB 0.325 32.026 31.700 0.001 0.000 0.785 1031 E N 0.181 120.384 120.200 0.005 0.000 2.051 1031 E HA -0.128 4.223 4.350 0.002 0.000 0.192 1031 E C 2.432 179.040 176.600 0.013 0.000 0.991 1031 E CA 1.508 57.917 56.400 0.016 0.000 0.799 1031 E CB -1.077 28.636 29.700 0.020 0.000 0.748 1031 E HN 0.159 nan 8.360 nan 0.000 0.449 1032 S N -0.187 115.508 115.700 -0.009 0.000 2.368 1032 S HA -0.174 4.297 4.470 0.002 0.000 0.225 1032 S C 2.070 176.680 174.600 0.017 0.000 1.030 1032 S CA 1.198 59.392 58.200 -0.010 0.000 0.999 1032 S CB -0.377 62.807 63.200 -0.026 0.000 0.844 1032 S HN 0.344 nan 8.310 nan 0.000 0.459 1033 A N 1.792 124.622 122.820 0.016 0.000 1.940 1033 A HA -0.120 4.201 4.320 0.002 0.000 0.219 1033 A C 2.286 179.893 177.584 0.038 0.000 1.176 1033 A CA 1.389 53.442 52.037 0.026 0.000 0.631 1033 A CB -0.583 18.428 19.000 0.018 0.000 0.814 1033 A HN 0.556 nan 8.150 nan 0.000 0.446 1034 R N -1.120 119.400 120.500 0.034 0.000 2.066 1034 R HA -0.011 4.331 4.340 0.002 0.000 0.232 1034 R C 2.174 178.522 176.300 0.080 0.000 1.131 1034 R CA 1.523 57.646 56.100 0.038 0.000 0.955 1034 R CB -0.500 29.809 30.300 0.015 0.000 0.851 1034 R HN 0.642 nan 8.270 nan 0.000 0.432 1035 I N 0.981 121.606 120.570 0.092 0.000 2.394 1035 I HA -0.226 3.945 4.170 0.002 0.000 0.251 1035 I C 1.765 177.979 176.117 0.161 0.000 1.136 1035 I CA 0.970 62.361 61.300 0.151 0.000 1.425 1035 I CB 0.118 38.210 38.000 0.153 0.000 1.079 1035 I HN 0.097 nan 8.210 nan 0.000 0.425 1036 I N 1.135 121.768 120.570 0.105 0.000 2.394 1036 I HA -0.188 3.983 4.170 0.002 0.000 0.251 1036 I C 2.742 178.923 176.117 0.106 0.000 1.136 1036 I CA 1.406 62.760 61.300 0.090 0.000 1.425 1036 I CB -1.812 36.226 38.000 0.063 0.000 1.079 1036 I HN 0.261 nan 8.210 nan 0.000 0.425 1037 A N 0.578 123.469 122.820 0.117 0.000 1.898 1037 A HA -0.223 4.098 4.320 0.002 0.000 0.216 1037 A C 2.244 179.949 177.584 0.202 0.000 1.181 1037 A CA 1.045 53.159 52.037 0.128 0.000 0.620 1037 A CB -0.913 18.141 19.000 0.089 0.000 0.819 1037 A HN 0.337 nan 8.150 nan 0.000 0.442 1038 F N 0.845 120.820 119.950 0.043 0.000 2.113 1038 F HA -0.107 4.421 4.527 0.002 0.000 0.297 1038 F C 1.934 177.808 175.800 0.122 0.000 1.103 1038 F CA 1.375 59.411 58.000 0.059 0.000 1.248 1038 F CB -0.327 38.664 39.000 -0.014 0.000 0.999 1038 F HN 0.175 nan 8.300 nan 0.000 0.475 1039 I N -0.037 120.541 120.570 0.013 0.000 2.226 1039 I HA -0.308 3.863 4.170 0.002 0.000 0.245 1039 I C 2.671 178.724 176.117 -0.107 0.000 1.100 1039 I CA 1.529 62.757 61.300 -0.120 0.000 1.374 1039 I CB -0.807 37.188 38.000 -0.008 0.000 1.057 1039 I HN 0.281 nan 8.210 nan 0.000 0.413 1040 S N 0.045 115.745 115.700 -0.001 0.000 2.402 1040 S HA -0.254 4.218 4.470 0.002 0.000 0.229 1040 S C 1.808 176.424 174.600 0.027 0.000 1.021 1040 S CA 0.651 58.856 58.200 0.009 0.000 0.974 1040 S CB -0.905 62.336 63.200 0.068 0.000 0.800 1040 S HN 0.658 nan 8.310 nan 0.000 0.484 1041 W N 1.916 123.150 121.300 -0.110 0.000 2.436 1041 W HA 0.213 4.874 4.660 0.002 0.000 0.284 1041 W C 1.734 178.159 176.519 -0.156 0.000 1.225 1041 W CA 0.624 57.911 57.345 -0.097 0.000 1.271 1041 W CB -0.284 29.141 29.460 -0.058 0.000 1.114 1041 W HN 0.244 nan 8.180 nan 0.000 0.559 1042 L N 0.960 122.009 121.223 -0.290 0.000 1.994 1042 L HA -0.210 4.131 4.340 0.002 0.000 0.208 1042 L C 2.712 179.365 176.870 -0.362 0.000 1.071 1042 L CA 2.106 56.670 54.840 -0.459 0.000 0.745 1042 L CB -0.898 40.902 42.059 -0.431 0.000 0.892 1042 L HN 0.007 nan 8.230 nan 0.000 0.431 1043 R N -0.086 120.245 120.500 -0.281 0.000 2.316 1043 R HA -0.099 4.242 4.340 0.002 0.000 0.202 1043 R C 1.468 177.663 176.300 -0.174 0.000 1.029 1043 R CA 0.804 56.756 56.100 -0.247 0.000 1.018 1043 R CB -0.372 29.696 30.300 -0.388 0.000 0.888 1043 R HN 0.425 nan 8.270 nan 0.000 0.471 1044 E N 0.753 120.834 120.200 -0.198 0.000 2.442 1044 E HA -0.020 4.331 4.350 0.002 0.000 0.195 1044 E C 1.024 177.514 176.600 -0.184 0.000 1.030 1044 E CA 0.131 56.447 56.400 -0.140 0.000 0.869 1044 E CB 0.362 29.993 29.700 -0.116 0.000 0.857 1044 E HN 0.313 nan 8.360 nan 0.000 0.505 1045 Q N 0.716 120.345 119.800 -0.284 0.000 2.365 1045 Q HA 0.053 4.394 4.340 0.002 0.000 0.203 1045 Q C 0.274 176.226 176.000 -0.080 0.000 0.929 1045 Q CA 0.369 56.016 55.803 -0.261 0.000 0.948 1045 Q CB 0.148 28.632 28.738 -0.423 0.000 1.043 1045 Q HN 0.280 nan 8.270 nan 0.000 0.505 1046 R N -0.943 119.544 120.500 -0.022 0.000 2.710 1046 R HA 0.434 4.775 4.340 0.002 0.000 0.270 1046 R C -2.587 173.764 176.300 0.085 0.000 1.021 1046 R CA -1.329 54.831 56.100 0.100 0.000 0.889 1046 R CB 0.711 31.101 30.300 0.150 0.000 1.243 1046 R HN -0.289 nan 8.270 nan 0.000 0.464 1047 P HA 0.148 nan 4.420 nan 0.000 0.264 1047 P C -0.371 176.966 177.300 0.062 0.000 1.259 1047 P CA 0.281 63.416 63.100 0.057 0.000 0.841 1047 P CB 0.385 32.094 31.700 0.015 0.000 1.232 1048 F N 0.908 120.888 119.950 0.050 0.000 2.387 1048 F HA 0.304 4.833 4.527 0.002 0.000 0.332 1048 F C 0.384 176.262 175.800 0.130 0.000 1.174 1048 F CA -1.609 56.435 58.000 0.074 0.000 1.257 1048 F CB -0.047 38.927 39.000 -0.043 0.000 1.569 1048 F HN -0.250 nan 8.300 nan 0.000 0.554 1049 F N 6.580 126.672 119.950 0.236 0.000 2.350 1049 F HA -0.077 4.451 4.527 0.002 0.000 0.420 1049 F C -1.936 173.956 175.800 0.155 0.000 0.939 1049 F CA -1.376 56.718 58.000 0.156 0.000 1.066 1049 F CB 0.200 39.279 39.000 0.131 0.000 0.876 1049 F HN 0.148 nan 8.300 nan 0.000 0.515 1050 P HA 0.151 nan 4.420 nan 0.000 0.293 1050 P C -0.282 177.070 177.300 0.087 0.000 1.300 1050 P CA -0.475 62.664 63.100 0.065 0.000 0.792 1050 P CB 1.174 32.854 31.700 -0.033 0.000 0.925 1051 I N 2.774 123.532 120.570 0.313 0.000 3.060 1051 I HA 0.298 4.469 4.170 0.002 0.000 0.285 1051 I C -0.439 175.817 176.117 0.232 0.000 1.190 1051 I CA -0.562 60.955 61.300 0.361 0.000 1.363 1051 I CB -0.148 38.044 38.000 0.321 0.000 1.396 1051 I HN 0.302 nan 8.210 nan 0.000 0.607 1052 L N 6.585 127.947 121.223 0.232 0.000 2.404 1052 L HA 0.543 4.885 4.340 0.002 0.000 0.272 1052 L C -1.378 175.637 176.870 0.243 0.000 0.980 1052 L CA -0.480 54.465 54.840 0.175 0.000 0.836 1052 L CB 1.614 43.733 42.059 0.100 0.000 1.238 1052 L HN 0.637 nan 8.230 nan 0.000 0.408 1053 Y N 3.438 123.794 120.300 0.094 0.000 2.350 1053 Y HA 0.640 5.191 4.550 0.002 0.000 0.338 1053 Y C -0.211 175.728 175.900 0.066 0.000 0.961 1053 Y CA -1.153 56.991 58.100 0.073 0.000 1.100 1053 Y CB 1.223 39.723 38.460 0.066 0.000 1.179 1053 Y HN 0.243 nan 8.280 nan 0.000 0.454 1054 V N 4.988 124.981 119.914 0.132 0.000 3.306 1054 V HA -0.160 3.962 4.120 0.002 0.000 0.264 1054 V C 2.063 178.189 176.094 0.053 0.000 1.149 1054 V CA 0.952 63.277 62.300 0.042 0.000 1.143 1054 V CB -0.822 31.024 31.823 0.039 0.000 0.767 1054 V HN 0.999 nan 8.190 nan 0.000 0.476 1055 I N 1.153 121.840 120.570 0.194 0.000 2.354 1055 I HA -0.320 3.851 4.170 0.002 0.000 0.258 1055 I C 1.944 178.136 176.117 0.125 0.000 1.111 1055 I CA 1.503 62.913 61.300 0.185 0.000 1.390 1055 I CB -0.889 37.297 38.000 0.310 0.000 1.072 1055 I HN 0.451 nan 8.210 nan 0.000 0.441 1056 R N 2.451 123.004 120.500 0.089 0.000 2.630 1056 R HA 0.034 4.375 4.340 0.002 0.000 0.286 1056 R C -0.073 176.178 176.300 -0.082 0.000 1.391 1056 R CA 0.731 56.852 56.100 0.034 0.000 1.027 1056 R CB -1.515 28.722 30.300 -0.104 0.000 1.099 1056 R HN 0.234 nan 8.270 nan 0.000 0.525 1057 D N 0.237 120.620 120.400 -0.029 0.000 2.549 1057 D HA 0.162 4.803 4.640 0.002 0.000 0.270 1057 D C 0.181 176.512 176.300 0.051 0.000 1.181 1057 D CA -0.575 53.373 54.000 -0.087 0.000 1.070 1057 D CB 1.440 42.174 40.800 -0.110 0.000 1.154 1057 D HN 0.469 nan 8.370 nan 0.000 0.602 1058 E N -0.627 119.679 120.200 0.177 0.000 2.403 1058 E HA 0.069 4.420 4.350 0.002 0.000 0.187 1058 E C -0.507 176.220 176.600 0.212 0.000 1.073 1058 E CA 0.035 56.587 56.400 0.254 0.000 0.888 1058 E CB -0.478 29.347 29.700 0.209 0.000 1.035 1058 E HN 0.309 nan 8.360 nan 0.000 0.471 1059 S N -1.730 114.065 115.700 0.157 0.000 2.703 1059 S HA 0.130 4.601 4.470 0.002 0.000 0.188 1059 S C -2.142 172.498 174.600 0.066 0.000 0.797 1059 S CA -0.583 57.684 58.200 0.111 0.000 0.888 1059 S CB -0.116 63.149 63.200 0.109 0.000 1.605 1059 S HN 0.147 nan 8.310 nan 0.000 0.553 1060 P HA 0.411 nan 4.420 nan 0.000 0.275 1060 P C 0.475 177.807 177.300 0.054 0.000 1.310 1060 P CA -0.033 63.094 63.100 0.044 0.000 0.904 1060 P CB -0.249 31.481 31.700 0.051 0.000 1.381 1061 M N -0.341 119.302 119.600 0.070 0.000 2.537 1061 M HA -0.194 4.287 4.480 0.002 0.000 0.205 1061 M C -0.406 175.941 176.300 0.078 0.000 0.450 1061 M CA 1.140 56.477 55.300 0.063 0.000 0.553 1061 M CB -2.107 30.512 32.600 0.031 0.000 2.046 1061 M HN 0.062 nan 8.290 nan 0.000 0.797 1062 K N -1.215 119.259 120.400 0.123 0.000 2.788 1062 K HA 0.457 4.778 4.320 0.002 0.000 0.190 1062 K C 0.660 177.397 176.600 0.229 0.000 1.143 1062 K CA 0.356 56.745 56.287 0.169 0.000 1.099 1062 K CB 0.922 33.538 32.500 0.193 0.000 0.767 1062 K HN 0.333 nan 8.250 nan 0.000 0.466 1063 A N 1.726 124.668 122.820 0.203 0.000 2.324 1063 A HA -0.041 4.280 4.320 0.002 0.000 0.240 1063 A C 0.976 178.699 177.584 0.232 0.000 1.347 1063 A CA 0.115 52.304 52.037 0.254 0.000 1.036 1063 A CB -1.009 18.128 19.000 0.228 0.000 0.917 1063 A HN 0.521 nan 8.150 nan 0.000 0.519 1064 N N -1.246 117.583 118.700 0.214 0.000 2.627 1064 N HA -0.111 4.630 4.740 0.002 0.000 0.196 1064 N C 0.787 176.399 175.510 0.169 0.000 1.268 1064 N CA 0.624 53.769 53.050 0.159 0.000 0.904 1064 N CB -0.723 37.855 38.487 0.152 0.000 1.016 1064 N HN 0.485 nan 8.380 nan 0.000 0.448 1065 F N 0.922 120.899 119.950 0.045 0.000 2.206 1065 F HA 0.167 4.695 4.527 0.002 0.000 0.298 1065 F C 1.575 177.334 175.800 -0.069 0.000 1.090 1065 F CA 0.886 58.885 58.000 -0.001 0.000 1.323 1065 F CB 0.000 39.028 39.000 0.046 0.000 1.028 1065 F HN 0.048 nan 8.300 nan 0.000 0.492 1066 L N 0.034 121.258 121.223 0.003 0.000 2.141 1066 L HA -0.187 4.155 4.340 0.002 0.000 0.209 1066 L C 2.343 179.123 176.870 -0.150 0.000 1.094 1066 L CA 1.083 55.838 54.840 -0.141 0.000 0.763 1066 L CB -1.038 41.006 42.059 -0.025 0.000 0.908 1066 L HN 0.172 nan 8.230 nan 0.000 0.437 1067 Q N 0.212 119.968 119.800 -0.073 0.000 2.449 1067 Q HA -0.162 4.179 4.340 0.002 0.000 0.214 1067 Q C 1.214 177.142 176.000 -0.120 0.000 0.986 1067 Q CA 0.820 56.582 55.803 -0.068 0.000 0.893 1067 Q CB -0.126 28.600 28.738 -0.019 0.000 0.940 1067 Q HN 0.547 nan 8.270 nan 0.000 0.477 1068 N N -0.573 118.009 118.700 -0.197 0.000 2.280 1068 N HA 0.051 4.793 4.740 0.002 0.000 0.192 1068 N C -0.046 175.277 175.510 -0.310 0.000 1.109 1068 N CA 0.243 53.144 53.050 -0.247 0.000 0.855 1068 N CB 0.477 38.795 38.487 -0.281 0.000 0.974 1068 N HN 0.199 nan 8.380 nan 0.000 0.482 1069 M N 1.950 121.369 119.600 -0.302 0.000 3.436 1069 M HA 0.112 4.593 4.480 0.002 0.000 0.240 1069 M C 0.981 177.161 176.300 -0.201 0.000 1.469 1069 M CA -0.111 55.016 55.300 -0.289 0.000 1.622 1069 M CB -0.862 31.570 32.600 -0.281 0.000 1.098 1069 M HN 0.030 nan 8.290 nan 0.000 0.568 1070 I N -1.832 118.615 120.570 -0.205 0.000 3.241 1070 I HA -0.068 4.103 4.170 0.002 0.000 0.280 1070 I C 1.269 177.336 176.117 -0.083 0.000 1.320 1070 I CA 1.304 62.520 61.300 -0.140 0.000 1.413 1070 I CB -0.512 37.404 38.000 -0.140 0.000 1.060 1070 I HN 0.427 nan 8.210 nan 0.000 0.500 1071 E N 0.700 120.852 120.200 -0.081 0.000 2.307 1071 E HA 0.036 4.388 4.350 0.002 0.000 0.195 1071 E C 0.108 176.733 176.600 0.042 0.000 0.975 1071 E CA 0.012 56.422 56.400 0.016 0.000 0.878 1071 E CB 0.225 29.909 29.700 -0.027 0.000 0.845 1071 E HN 0.601 nan 8.360 nan 0.000 0.488 1072 D N 1.627 122.013 120.400 -0.024 0.000 2.358 1072 D HA 0.055 4.696 4.640 0.002 0.000 0.244 1072 D C 0.520 176.818 176.300 -0.003 0.000 1.163 1072 D CA 0.044 54.034 54.000 -0.016 0.000 0.945 1072 D CB 0.730 41.496 40.800 -0.056 0.000 1.152 1072 D HN 0.075 nan 8.370 nan 0.000 0.451 1073 R N -1.082 119.423 120.500 0.008 0.000 2.532 1073 R HA 0.626 4.967 4.340 0.002 0.000 0.272 1073 R C -0.219 176.078 176.300 -0.004 0.000 1.032 1073 R CA -0.628 55.478 56.100 0.011 0.000 1.089 1073 R CB 1.124 31.441 30.300 0.027 0.000 1.098 1073 R HN 0.298 nan 8.270 nan 0.000 0.526 1074 T N -0.529 114.023 114.554 -0.003 0.000 2.907 1074 T HA 0.133 4.485 4.350 0.002 0.000 0.290 1074 T C 0.489 175.194 174.700 0.007 0.000 1.066 1074 T CA -0.608 61.490 62.100 -0.003 0.000 1.012 1074 T CB 1.776 70.638 68.868 -0.010 0.000 1.184 1074 T HN 0.760 nan 8.240 nan 0.000 0.522 1075 E N 0.734 120.942 120.200 0.013 0.000 2.171 1075 E HA -0.082 4.270 4.350 0.002 0.000 0.197 1075 E C 1.466 178.082 176.600 0.026 0.000 0.997 1075 E CA 1.878 58.292 56.400 0.023 0.000 0.810 1075 E CB 0.007 29.727 29.700 0.032 0.000 0.738 1075 E HN 0.550 nan 8.360 nan 0.000 0.467 1076 S N -2.195 113.519 115.700 0.024 0.000 2.754 1076 S HA 0.702 5.173 4.470 0.002 0.000 0.247 1076 S C 0.069 174.673 174.600 0.007 0.000 1.031 1076 S CA -0.169 58.043 58.200 0.021 0.000 1.014 1076 S CB 0.917 64.138 63.200 0.035 0.000 0.918 1076 S HN 0.174 nan 8.310 nan 0.000 0.519 1077 A N 1.209 124.029 122.820 -0.000 0.000 2.549 1077 A HA 0.715 5.036 4.320 0.002 0.000 0.297 1077 A C -0.621 176.958 177.584 -0.008 0.000 1.061 1077 A CA -0.848 51.179 52.037 -0.015 0.000 0.690 1077 A CB 0.956 19.938 19.000 -0.030 0.000 1.287 1077 A HN 0.372 nan 8.150 nan 0.000 0.402 1078 L N 1.630 122.847 121.223 -0.010 0.000 2.453 1078 L HA 0.417 4.758 4.340 0.002 0.000 0.261 1078 L C 1.257 178.142 176.870 0.024 0.000 1.179 1078 L CA -0.369 54.484 54.840 0.021 0.000 0.813 1078 L CB 1.111 43.206 42.059 0.060 0.000 1.110 1078 L HN 0.929 nan 8.230 nan 0.000 0.466 1079 S N -0.227 115.509 115.700 0.061 0.000 2.669 1079 S HA 0.072 4.543 4.470 0.002 0.000 0.270 1079 S C 0.753 175.441 174.600 0.146 0.000 1.225 1079 S CA -0.498 57.756 58.200 0.091 0.000 0.991 1079 S CB 0.650 63.916 63.200 0.111 0.000 0.987 1079 S HN 0.574 nan 8.310 nan 0.000 0.552 1080 Y N 1.018 121.359 120.300 0.070 0.000 2.207 1080 Y HA -0.198 4.353 4.550 0.002 0.000 0.287 1080 Y C 2.037 178.052 175.900 0.190 0.000 1.156 1080 Y CA 1.885 60.051 58.100 0.110 0.000 1.182 1080 Y CB -0.734 37.770 38.460 0.073 0.000 0.979 1080 Y HN 0.849 nan 8.280 nan 0.000 0.521 1081 Y N 1.241 121.486 120.300 -0.092 0.000 2.200 1081 Y HA -0.145 4.406 4.550 0.002 0.000 0.290 1081 Y C 2.229 178.058 175.900 -0.117 0.000 1.137 1081 Y CA 2.069 60.069 58.100 -0.167 0.000 1.163 1081 Y CB -0.470 37.965 38.460 -0.042 0.000 0.988 1081 Y HN 0.283 nan 8.280 nan 0.000 0.518 1082 E N -0.892 119.279 120.200 -0.049 0.000 2.038 1082 E HA -0.263 4.088 4.350 0.002 0.000 0.195 1082 E C 2.058 178.606 176.600 -0.086 0.000 1.000 1082 E CA 1.487 57.835 56.400 -0.087 0.000 0.803 1082 E CB -0.616 29.102 29.700 0.029 0.000 0.750 1082 E HN 0.448 nan 8.360 nan 0.000 0.448 1083 F N 1.622 121.463 119.950 -0.182 0.000 2.120 1083 F HA -0.216 4.312 4.527 0.002 0.000 0.300 1083 F C 1.965 177.635 175.800 -0.216 0.000 1.095 1083 F CA 1.326 59.219 58.000 -0.178 0.000 1.249 1083 F CB -0.155 38.752 39.000 -0.155 0.000 0.995 1083 F HN -0.060 nan 8.300 nan 0.000 0.480 1084 L N -1.109 119.906 121.223 -0.346 0.000 2.056 1084 L HA -0.217 4.124 4.340 0.002 0.000 0.207 1084 L C 2.376 179.009 176.870 -0.396 0.000 1.078 1084 L CA 0.575 55.153 54.840 -0.437 0.000 0.749 1084 L CB -0.731 41.027 42.059 -0.501 0.000 0.901 1084 L HN 0.168 nan 8.230 nan 0.000 0.433 1085 L N -0.487 120.473 121.223 -0.438 0.000 2.083 1085 L HA -0.256 4.085 4.340 0.002 0.000 0.209 1085 L C 2.665 179.389 176.870 -0.242 0.000 1.083 1085 L CA 1.781 56.401 54.840 -0.368 0.000 0.752 1085 L CB -1.032 40.779 42.059 -0.412 0.000 0.899 1085 L HN 0.340 nan 8.230 nan 0.000 0.433 1086 H N -0.848 118.036 119.070 -0.310 0.000 2.428 1086 H HA -0.038 4.520 4.556 0.002 0.000 0.296 1086 H C 2.224 177.360 175.328 -0.320 0.000 1.062 1086 H CA 1.522 57.407 56.048 -0.271 0.000 1.350 1086 H CB 0.284 29.902 29.762 -0.239 0.000 1.403 1086 H HN 0.335 nan 8.280 nan 0.000 0.533 1087 I N 0.637 121.049 120.570 -0.264 0.000 2.233 1087 I HA -0.246 3.925 4.170 0.002 0.000 0.243 1087 I C 2.839 178.811 176.117 -0.243 0.000 1.093 1087 I CA 1.196 62.325 61.300 -0.283 0.000 1.380 1087 I CB -0.383 37.381 38.000 -0.394 0.000 1.067 1087 I HN 0.280 nan 8.210 nan 0.000 0.413 1088 Q N 0.924 120.587 119.800 -0.229 0.000 2.181 1088 Q HA -0.306 4.036 4.340 0.002 0.000 0.205 1088 Q C 2.210 178.105 176.000 -0.175 0.000 0.980 1088 Q CA 1.751 57.450 55.803 -0.174 0.000 0.862 1088 Q CB -0.098 28.543 28.738 -0.161 0.000 0.905 1088 Q HN 0.506 nan 8.270 nan 0.000 0.429 1089 Q N -0.903 118.762 119.800 -0.226 0.000 2.224 1089 Q HA -0.168 4.173 4.340 0.002 0.000 0.203 1089 Q C 1.853 177.720 176.000 -0.222 0.000 0.970 1089 Q CA 0.984 56.655 55.803 -0.220 0.000 0.865 1089 Q CB 0.287 28.866 28.738 -0.264 0.000 0.922 1089 Q HN 0.433 nan 8.270 nan 0.000 0.445 1090 Q N -0.660 118.982 119.800 -0.264 0.000 2.165 1090 Q HA -0.039 4.303 4.340 0.002 0.000 0.197 1090 Q C 2.271 178.196 176.000 -0.124 0.000 0.952 1090 Q CA 0.765 56.445 55.803 -0.205 0.000 0.848 1090 Q CB -0.131 28.471 28.738 -0.226 0.000 0.931 1090 Q HN 0.236 nan 8.270 nan 0.000 0.470 1091 V N 2.887 122.732 119.914 -0.115 0.000 2.252 1091 V HA -0.295 3.827 4.120 0.002 0.000 0.249 1091 V C 1.139 177.200 176.094 -0.055 0.000 1.056 1091 V CA 2.232 64.491 62.300 -0.068 0.000 1.022 1091 V CB -0.748 31.039 31.823 -0.060 0.000 0.641 1091 V HN 0.566 nan 8.190 nan 0.000 0.445 1092 N N 0.232 118.891 118.700 -0.068 0.000 2.376 1092 N HA 0.121 4.862 4.740 0.002 0.000 0.249 1092 N C 0.207 175.681 175.510 -0.060 0.000 1.140 1092 N CA -0.416 52.600 53.050 -0.056 0.000 0.870 1092 N CB -0.312 38.143 38.487 -0.053 0.000 1.124 1092 N HN 0.678 nan 8.380 nan 0.000 0.505 1093 K N 0.000 120.360 120.400 -0.067 0.000 2.780 1093 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1093 K CA 0.000 56.248 56.287 -0.066 0.000 0.838 1093 K CB 0.000 32.457 32.500 -0.072 0.000 1.064 1093 K HN 0.000 nan 8.250 nan 0.000 0.543