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 1xpq_1_D DATA FIRST_RESID 8 DATA SEQUENCE KKKVIIIGAG IAGLKAASTL HQNGIQDCLV LEARDRVGGR LQTVTGYQGR DATA SEQUENCE KYDIGASWHH DTLTNPLFLE EAQLSLNDGR TRFVFDDDNF IYIDEERGRV DATA SEQUENCE DHDKELLLEI VDNEMSKFAE LEFHQHLGVS DCSFFQLVMK YLLQRRQFLT DATA SEQUENCE NDQIRYLPQL CRYLELWHGL DWKLLSAKDT YFGHQGRNAF ALNYDSVVQR DATA SEQUENCE IAQSFPQNWL KLScEVKSIT REPSKNVTVN cEDGTVYNAD YVIITVPQSV DATA SEQUENCE LNLSVQPEKN LRGRIEFQPP LKPVIQDAFD KIHFGALGKV IFEFEECCWS DATA SEQUENCE NESSKIVTLA NSTNEFVEIV RNAENLDELD SMLERXXXXX XTSVTCWSQP DATA SEQUENCE LFFVNLSKST GVASFMMLMQ APLTNHIESI REDKERLFSF FQPVLNKIMK DATA SEQUENCE CLDSEDVIDG MRPIENIANA NKPVLRNIIV SNWTRDPYSR GAYSACFPXX DATA SEQUENCE XXVDMVVAMS NGQDSRIRFA GEHTIMDGAG CAYGAWESGR REATRISDLL 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.602 176.600 0.004 0.000 0.988 8 K CA 0.000 56.294 56.287 0.013 0.000 0.838 8 K CB 0.000 32.525 32.500 0.041 0.000 1.064 9 K N 1.086 121.476 120.400 -0.017 0.000 2.477 9 K HA 0.448 4.768 4.320 -0.000 0.000 0.255 9 K C 0.612 177.161 176.600 -0.084 0.000 0.952 9 K CA -0.500 55.741 56.287 -0.076 0.000 0.826 9 K CB 2.261 34.684 32.500 -0.128 0.000 1.331 9 K HN -0.182 nan 8.250 nan 0.000 0.437 10 K N 0.217 120.555 120.400 -0.102 0.000 1.991 10 K HA 0.079 4.399 4.320 -0.000 0.000 0.208 10 K C 0.503 177.079 176.600 -0.040 0.000 1.038 10 K CA 0.883 57.139 56.287 -0.051 0.000 0.943 10 K CB 0.138 32.619 32.500 -0.031 0.000 0.736 10 K HN 0.221 nan 8.250 nan 0.000 0.440 11 V N 2.505 122.347 119.914 -0.119 0.000 2.417 11 V HA 0.338 4.458 4.120 -0.000 0.000 0.291 11 V C -0.341 175.625 176.094 -0.215 0.000 1.024 11 V CA -0.593 61.638 62.300 -0.115 0.000 0.861 11 V CB 1.594 33.332 31.823 -0.141 0.000 0.985 11 V HN 0.187 nan 8.190 nan 0.000 0.436 12 I N 5.790 126.265 120.570 -0.160 0.000 2.411 12 I HA 0.472 4.642 4.170 -0.000 0.000 0.284 12 I C -0.539 175.480 176.117 -0.163 0.000 1.012 12 I CA -0.298 60.880 61.300 -0.203 0.000 1.119 12 I CB 1.698 39.584 38.000 -0.189 0.000 1.261 12 I HN 0.483 nan 8.210 nan 0.000 0.448 13 I N 6.845 127.309 120.570 -0.178 0.000 2.488 13 I HA 0.422 4.592 4.170 -0.000 0.000 0.299 13 I C -0.251 175.805 176.117 -0.101 0.000 0.984 13 I CA -0.590 60.636 61.300 -0.123 0.000 1.250 13 I CB 1.593 39.520 38.000 -0.121 0.000 1.389 13 I HN 0.350 nan 8.210 nan 0.000 0.488 14 I N 4.270 124.808 120.570 -0.053 0.000 2.382 14 I HA 0.665 4.835 4.170 -0.000 0.000 0.286 14 I C 0.207 176.335 176.117 0.019 0.000 1.002 14 I CA -0.463 60.822 61.300 -0.025 0.000 1.135 14 I CB 1.478 39.475 38.000 -0.005 0.000 1.288 14 I HN 0.811 nan 8.210 nan 0.000 0.448 15 G N 4.230 113.037 108.800 0.012 0.000 2.907 15 G HA2 0.150 4.110 3.960 -0.000 0.000 0.686 15 G HA3 0.150 4.110 3.960 -0.000 0.000 0.686 15 G C -0.387 174.540 174.900 0.045 0.000 1.115 15 G CA -0.303 44.819 45.100 0.036 0.000 0.760 15 G HN 1.003 nan 8.290 nan 0.000 0.620 16 A N 1.467 124.320 122.820 0.055 0.000 2.701 16 A HA 0.785 5.104 4.320 -0.000 0.000 0.297 16 A C 1.438 179.081 177.584 0.098 0.000 1.197 16 A CA 1.157 53.247 52.037 0.088 0.000 0.963 16 A CB -0.226 18.831 19.000 0.096 0.000 1.175 16 A HN 2.226 nan 8.150 nan 0.000 0.531 17 G N -0.499 108.354 108.800 0.089 0.000 2.525 17 G HA2 0.285 4.244 3.960 -0.000 0.000 0.276 17 G HA3 0.285 4.244 3.960 -0.000 0.000 0.276 17 G C 1.039 176.007 174.900 0.112 0.000 1.388 17 G CA 0.060 45.211 45.100 0.085 0.000 1.050 17 G HN 0.355 nan 8.290 nan 0.000 0.520 18 I N -0.155 120.485 120.570 0.116 0.000 2.315 18 I HA -0.067 4.103 4.170 -0.000 0.000 0.248 18 I C 2.893 179.120 176.117 0.182 0.000 1.117 18 I CA 1.604 63.018 61.300 0.190 0.000 1.404 18 I CB -0.119 38.016 38.000 0.225 0.000 1.071 18 I HN 0.472 nan 8.210 nan 0.000 0.419 19 A N 0.701 123.599 122.820 0.130 0.000 1.834 19 A HA -0.186 4.133 4.320 -0.000 0.000 0.216 19 A C 2.396 180.013 177.584 0.055 0.000 1.203 19 A CA 1.996 54.083 52.037 0.083 0.000 0.621 19 A CB -1.799 17.244 19.000 0.070 0.000 0.841 19 A HN 0.479 nan 8.150 nan 0.000 0.446 20 G N -0.311 108.527 108.800 0.064 0.000 2.491 20 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.218 20 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.218 20 G C 1.561 176.494 174.900 0.056 0.000 1.180 20 G CA 1.207 46.332 45.100 0.041 0.000 0.774 20 G HN 0.439 nan 8.290 nan 0.000 0.562 21 L N 0.004 121.306 121.223 0.131 0.000 2.127 21 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 21 L C 2.781 179.774 176.870 0.205 0.000 1.089 21 L CA 1.561 56.544 54.840 0.239 0.000 0.757 21 L CB -0.295 41.931 42.059 0.279 0.000 0.899 21 L HN 0.223 nan 8.230 nan 0.000 0.434 22 K N 0.593 121.057 120.400 0.106 0.000 2.103 22 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 22 K C 2.009 178.562 176.600 -0.078 0.000 1.052 22 K CA 1.360 57.631 56.287 -0.026 0.000 0.945 22 K CB -0.263 32.080 32.500 -0.261 0.000 0.722 22 K HN 0.178 nan 8.250 nan 0.000 0.443 23 A N 0.917 123.696 122.820 -0.068 0.000 1.851 23 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 23 A C 2.445 179.992 177.584 -0.063 0.000 1.195 23 A CA 2.426 54.413 52.037 -0.083 0.000 0.622 23 A CB -1.394 17.560 19.000 -0.077 0.000 0.831 23 A HN 0.427 nan 8.150 nan 0.000 0.444 24 A N -0.805 121.955 122.820 -0.100 0.000 1.883 24 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 24 A C 2.512 180.106 177.584 0.017 0.000 1.186 24 A CA 2.491 54.442 52.037 -0.143 0.000 0.624 24 A CB -1.184 17.422 19.000 -0.656 0.000 0.822 24 A HN 0.718 nan 8.150 nan 0.000 0.444 25 S N -1.082 114.683 115.700 0.108 0.000 2.387 25 S HA -0.182 4.288 4.470 -0.000 0.000 0.230 25 S C 2.018 176.712 174.600 0.157 0.000 1.035 25 S CA 2.430 60.791 58.200 0.269 0.000 1.014 25 S CB -0.621 62.739 63.200 0.268 0.000 0.836 25 S HN 0.645 nan 8.310 nan 0.000 0.466 26 T N 2.804 117.389 114.554 0.051 0.000 2.770 26 T HA 0.111 4.460 4.350 -0.000 0.000 0.263 26 T C 1.785 176.512 174.700 0.044 0.000 1.039 26 T CA 1.274 63.376 62.100 0.004 0.000 1.142 26 T CB -0.435 68.386 68.868 -0.078 0.000 0.868 26 T HN 0.314 nan 8.240 nan 0.000 0.435 27 L N 0.607 121.872 121.223 0.069 0.000 1.978 27 L HA -0.237 4.103 4.340 -0.000 0.000 0.218 27 L C 2.614 179.615 176.870 0.218 0.000 1.075 27 L CA 2.162 57.070 54.840 0.113 0.000 0.767 27 L CB -0.731 41.392 42.059 0.108 0.000 0.890 27 L HN 0.402 nan 8.230 nan 0.000 0.434 28 H N -0.508 118.702 119.070 0.234 0.000 2.521 28 H HA -0.165 4.391 4.556 -0.000 0.000 0.286 28 H C 2.221 177.591 175.328 0.070 0.000 1.034 28 H CA 1.452 57.595 56.048 0.159 0.000 1.278 28 H CB 0.104 29.812 29.762 -0.090 0.000 1.386 28 H HN 0.344 nan 8.280 nan 0.000 0.567 29 Q N -0.318 119.468 119.800 -0.023 0.000 2.187 29 Q HA -0.094 4.245 4.340 -0.000 0.000 0.199 29 Q C 1.125 177.073 176.000 -0.087 0.000 0.957 29 Q CA 1.091 56.841 55.803 -0.088 0.000 0.857 29 Q CB 0.219 28.958 28.738 0.002 0.000 0.929 29 Q HN 0.472 nan 8.270 nan 0.000 0.453 30 N N -0.873 117.804 118.700 -0.038 0.000 2.376 30 N HA 0.026 4.766 4.740 -0.000 0.000 0.177 30 N C 0.976 176.470 175.510 -0.028 0.000 1.024 30 N CA 1.325 54.357 53.050 -0.030 0.000 0.893 30 N CB 0.911 39.387 38.487 -0.018 0.000 0.980 30 N HN 0.454 nan 8.380 nan 0.000 0.439 31 G N -0.520 108.270 108.800 -0.016 0.000 2.421 31 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.188 31 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.188 31 G C -0.149 174.804 174.900 0.088 0.000 1.001 31 G CA -0.502 44.603 45.100 0.008 0.000 0.693 31 G HN 0.098 nan 8.290 nan 0.000 0.479 32 I N 2.693 123.326 120.570 0.105 0.000 2.845 32 I HA 0.102 4.272 4.170 -0.000 0.000 0.290 32 I C 0.997 177.265 176.117 0.251 0.000 1.202 32 I CA 0.780 62.153 61.300 0.121 0.000 1.406 32 I CB -0.399 37.641 38.000 0.066 0.000 1.383 32 I HN 0.365 nan 8.210 nan 0.000 0.549 33 Q N 4.410 124.329 119.800 0.200 0.000 2.199 33 Q HA 0.217 4.556 4.340 -0.000 0.000 0.205 33 Q C -0.286 175.779 176.000 0.108 0.000 1.001 33 Q CA -0.919 55.067 55.803 0.305 0.000 1.019 33 Q CB 0.847 29.719 28.738 0.224 0.000 1.132 33 Q HN 0.474 nan 8.270 nan 0.000 0.530 34 D N 0.243 120.728 120.400 0.142 0.000 2.980 34 D HA -0.182 4.458 4.640 -0.000 0.000 0.218 34 D C -1.168 174.855 176.300 -0.462 0.000 1.225 34 D CA 0.576 54.518 54.000 -0.097 0.000 0.804 34 D CB -0.831 39.954 40.800 -0.024 0.000 0.906 34 D HN 0.352 nan 8.370 nan 0.000 0.396 35 C N 1.244 119.822 119.300 -1.203 0.000 2.848 35 C HA 0.835 5.295 4.460 -0.000 0.000 0.317 35 C C 0.364 174.590 174.990 -1.273 0.000 1.260 35 C CA -0.707 57.527 59.018 -1.306 0.000 1.656 35 C CB 2.444 29.200 27.740 -1.640 0.000 2.174 35 C HN 0.534 nan 8.230 nan 0.000 0.479 36 L N 1.346 122.147 121.223 -0.703 0.000 2.409 36 L HA 0.773 5.113 4.340 -0.000 0.000 0.262 36 L C -1.374 175.316 176.870 -0.299 0.000 0.992 36 L CA -0.438 54.145 54.840 -0.427 0.000 0.817 36 L CB 2.079 43.898 42.059 -0.399 0.000 1.350 36 L HN 0.432 nan 8.230 nan 0.000 0.411 37 V N 4.852 124.674 119.914 -0.153 0.000 2.376 37 V HA 0.404 4.524 4.120 -0.000 0.000 0.287 37 V C -0.287 175.760 176.094 -0.078 0.000 1.015 37 V CA -0.428 61.816 62.300 -0.092 0.000 0.834 37 V CB 1.612 33.442 31.823 0.012 0.000 1.001 37 V HN 0.489 nan 8.190 nan 0.000 0.428 38 L N 4.277 125.430 121.223 -0.116 0.000 2.265 38 L HA 0.670 5.010 4.340 -0.000 0.000 0.289 38 L C -0.181 176.655 176.870 -0.056 0.000 1.033 38 L CA -0.344 54.433 54.840 -0.106 0.000 0.814 38 L CB 1.581 43.545 42.059 -0.159 0.000 1.203 38 L HN 0.586 nan 8.230 nan 0.000 0.423 39 E N 2.138 122.312 120.200 -0.043 0.000 2.212 39 E HA 0.581 4.930 4.350 -0.000 0.000 0.268 39 E C -0.024 176.505 176.600 -0.118 0.000 0.902 39 E CA -0.313 56.050 56.400 -0.062 0.000 0.779 39 E CB 2.153 31.836 29.700 -0.028 0.000 1.172 39 E HN 0.530 nan 8.360 nan 0.000 0.409 40 A N 4.884 127.554 122.820 -0.251 0.000 1.911 40 A HA 0.165 4.485 4.320 -0.000 0.000 0.212 40 A C 0.951 178.248 177.584 -0.479 0.000 1.189 40 A CA 0.443 52.217 52.037 -0.439 0.000 0.639 40 A CB -0.095 18.359 19.000 -0.909 0.000 0.839 40 A HN 0.557 nan 8.150 nan 0.000 0.449 41 R N 0.570 120.789 120.500 -0.469 0.000 2.726 41 R HA 0.155 4.495 4.340 -0.000 0.000 0.272 41 R C 0.009 176.252 176.300 -0.095 0.000 1.097 41 R CA 0.381 56.348 56.100 -0.221 0.000 1.198 41 R CB 0.109 30.351 30.300 -0.098 0.000 1.114 41 R HN 0.503 nan 8.270 nan 0.000 0.550 42 D N -0.008 120.375 120.400 -0.028 0.000 2.328 42 D HA -0.033 4.607 4.640 -0.000 0.000 0.226 42 D C 0.306 176.608 176.300 0.005 0.000 1.066 42 D CA 0.223 54.220 54.000 -0.006 0.000 0.861 42 D CB 0.059 40.865 40.800 0.009 0.000 0.912 42 D HN 0.414 nan 8.370 nan 0.000 0.521 43 R N -0.777 119.727 120.500 0.007 0.000 2.922 43 R HA 0.682 5.022 4.340 -0.000 0.000 0.256 43 R C -0.627 175.692 176.300 0.033 0.000 1.138 43 R CA -1.128 54.987 56.100 0.025 0.000 0.995 43 R CB 1.266 31.589 30.300 0.039 0.000 1.226 43 R HN -0.078 nan 8.270 nan 0.000 0.481 44 V N -2.871 117.072 119.914 0.048 0.000 2.975 44 V HA 0.841 4.961 4.120 -0.000 0.000 0.318 44 V C 0.744 176.884 176.094 0.076 0.000 1.077 44 V CA 0.225 62.563 62.300 0.064 0.000 1.000 44 V CB 0.878 32.744 31.823 0.071 0.000 1.066 44 V HN 1.154 nan 8.190 nan 0.000 0.452 45 G N -0.153 108.697 108.800 0.083 0.000 2.352 45 G HA2 0.176 4.136 3.960 -0.000 0.000 0.204 45 G HA3 0.176 4.136 3.960 -0.000 0.000 0.204 45 G C 1.462 176.400 174.900 0.063 0.000 1.004 45 G CA 0.564 45.710 45.100 0.077 0.000 0.648 45 G HN 2.613 nan 8.290 nan 0.000 0.491 46 G N 0.586 109.440 108.800 0.089 0.000 2.634 46 G HA2 -0.373 3.586 3.960 -0.000 0.000 0.309 46 G HA3 -0.373 3.586 3.960 -0.000 0.000 0.309 46 G C 0.816 175.735 174.900 0.031 0.000 1.265 46 G CA 1.325 46.477 45.100 0.088 0.000 0.998 46 G HN 1.181 nan 8.290 nan 0.000 0.551 47 R N -0.145 120.243 120.500 -0.186 0.000 2.369 47 R HA 0.194 4.534 4.340 -0.000 0.000 0.200 47 R C 0.587 176.645 176.300 -0.402 0.000 1.046 47 R CA 0.169 55.898 56.100 -0.618 0.000 1.057 47 R CB -0.359 29.587 30.300 -0.590 0.000 0.888 47 R HN 0.309 nan 8.270 nan 0.000 0.474 48 L N 1.279 122.405 121.223 -0.163 0.000 2.277 48 L HA 0.302 4.642 4.340 -0.000 0.000 0.284 48 L C -0.503 176.397 176.870 0.051 0.000 1.028 48 L CA -0.249 54.507 54.840 -0.140 0.000 0.835 48 L CB 1.324 43.291 42.059 -0.153 0.000 1.215 48 L HN 0.084 nan 8.230 nan 0.000 0.425 49 Q N 2.562 122.440 119.800 0.129 0.000 2.296 49 Q HA 0.333 4.673 4.340 -0.000 0.000 0.254 49 Q C -1.466 174.625 176.000 0.151 0.000 0.936 49 Q CA -0.463 55.454 55.803 0.190 0.000 0.834 49 Q CB 2.336 31.271 28.738 0.328 0.000 1.340 49 Q HN 0.460 nan 8.270 nan 0.000 0.428 50 T N 3.119 117.737 114.554 0.106 0.000 2.767 50 T HA 0.519 4.869 4.350 -0.000 0.000 0.288 50 T C -0.267 174.484 174.700 0.086 0.000 0.963 50 T CA -0.419 61.734 62.100 0.089 0.000 1.019 50 T CB 0.968 69.868 68.868 0.054 0.000 0.923 50 T HN 0.459 nan 8.240 nan 0.000 0.468 51 V N 1.393 121.374 119.914 0.113 0.000 2.960 51 V HA 0.848 4.968 4.120 -0.000 0.000 0.315 51 V C -0.153 176.025 176.094 0.141 0.000 1.087 51 V CA -0.784 61.577 62.300 0.102 0.000 0.982 51 V CB 2.013 33.885 31.823 0.081 0.000 1.039 51 V HN 0.751 nan 8.190 nan 0.000 0.437 52 T N 2.426 117.042 114.554 0.103 0.000 2.902 52 T HA 0.842 5.192 4.350 -0.000 0.000 0.283 52 T C 0.418 175.205 174.700 0.145 0.000 1.009 52 T CA 0.362 62.527 62.100 0.109 0.000 1.051 52 T CB 1.481 70.377 68.868 0.046 0.000 0.999 52 T HN 1.348 nan 8.240 nan 0.000 0.474 53 G N 0.187 109.112 108.800 0.207 0.000 3.310 53 G HA2 0.400 4.360 3.960 -0.000 0.000 0.174 53 G HA3 0.400 4.360 3.960 -0.000 0.000 0.174 53 G C -1.020 173.999 174.900 0.197 0.000 1.097 53 G CA -0.619 44.601 45.100 0.199 0.000 0.795 53 G HN 0.606 nan 8.290 nan 0.000 0.670 54 Y N 2.034 122.396 120.300 0.102 0.000 2.712 54 Y HA 0.174 4.723 4.550 -0.000 0.000 0.333 54 Y C 0.913 176.858 175.900 0.075 0.000 1.225 54 Y CA 0.472 58.613 58.100 0.069 0.000 1.499 54 Y CB 0.379 38.875 38.460 0.059 0.000 1.288 54 Y HN 0.451 nan 8.280 nan 0.000 0.575 55 Q N 4.620 124.063 119.800 -0.596 0.000 2.417 55 Q HA -0.240 4.099 4.340 -0.000 0.000 0.350 55 Q C 1.213 177.085 176.000 -0.213 0.000 1.364 55 Q CA 1.326 56.822 55.803 -0.512 0.000 1.024 55 Q CB -1.841 26.405 28.738 -0.820 0.000 1.235 55 Q HN 1.337 nan 8.270 nan 0.000 0.388 56 G N -0.226 108.506 108.800 -0.113 0.000 2.196 56 G HA2 -0.403 3.556 3.960 -0.000 0.000 0.268 56 G HA3 -0.403 3.556 3.960 -0.000 0.000 0.268 56 G C 0.389 175.253 174.900 -0.061 0.000 0.975 56 G CA 0.772 45.831 45.100 -0.068 0.000 0.648 56 G HN 0.479 nan 8.290 nan 0.000 0.538 57 R N 0.210 120.686 120.500 -0.040 0.000 2.734 57 R HA 0.440 4.780 4.340 -0.000 0.000 0.266 57 R C 0.251 176.411 176.300 -0.233 0.000 1.044 57 R CA 0.518 56.537 56.100 -0.136 0.000 1.128 57 R CB 0.353 30.640 30.300 -0.022 0.000 1.010 57 R HN 0.318 nan 8.270 nan 0.000 0.461 58 K N 2.394 122.502 120.400 -0.486 0.000 2.397 58 K HA 0.355 4.675 4.320 -0.000 0.000 0.253 58 K C -1.484 174.793 176.600 -0.539 0.000 0.932 58 K CA -0.636 55.445 56.287 -0.343 0.000 0.795 58 K CB 1.857 34.264 32.500 -0.155 0.000 1.159 58 K HN 0.388 nan 8.250 nan 0.000 0.424 59 Y N 0.200 120.533 120.300 0.055 0.000 2.442 59 Y HA 0.190 4.739 4.550 -0.000 0.000 0.344 59 Y C -0.358 175.564 175.900 0.036 0.000 0.976 59 Y CA -1.209 56.932 58.100 0.067 0.000 1.040 59 Y CB 1.542 40.049 38.460 0.078 0.000 1.228 59 Y HN 0.464 nan 8.280 nan 0.000 0.451 60 D N 3.115 123.596 120.400 0.135 0.000 2.402 60 D HA 0.079 4.719 4.640 -0.000 0.000 0.235 60 D C 0.765 177.138 176.300 0.120 0.000 1.226 60 D CA 0.305 54.342 54.000 0.062 0.000 0.918 60 D CB 1.154 41.904 40.800 -0.084 0.000 1.043 60 D HN 0.566 nan 8.370 nan 0.000 0.506 61 I N 2.010 122.690 120.570 0.185 0.000 3.176 61 I HA -0.000 4.170 4.170 -0.000 0.000 0.275 61 I C 1.346 177.719 176.117 0.426 0.000 1.298 61 I CA 0.563 62.000 61.300 0.230 0.000 1.445 61 I CB 0.144 38.234 38.000 0.149 0.000 1.075 61 I HN 0.339 nan 8.210 nan 0.000 0.482 62 G N -0.826 108.167 108.800 0.321 0.000 3.414 62 G HA2 0.577 4.537 3.960 -0.000 0.000 0.189 62 G HA3 0.577 4.537 3.960 -0.000 0.000 0.189 62 G C -0.234 174.631 174.900 -0.059 0.000 1.329 62 G CA 0.028 45.224 45.100 0.160 0.000 0.851 62 G HN 0.336 nan 8.290 nan 0.000 0.671 63 A N -0.508 122.157 122.820 -0.259 0.000 2.540 63 A HA 0.476 4.796 4.320 -0.000 0.000 0.239 63 A C 1.080 178.517 177.584 -0.245 0.000 1.061 63 A CA 1.157 52.984 52.037 -0.350 0.000 0.758 63 A CB 0.716 19.262 19.000 -0.756 0.000 0.991 63 A HN 0.813 nan 8.150 nan 0.000 0.502 64 S N 1.381 116.982 115.700 -0.166 0.000 2.631 64 S HA 0.237 4.707 4.470 -0.000 0.000 0.246 64 S C -0.085 174.087 174.600 -0.713 0.000 1.068 64 S CA -0.255 57.657 58.200 -0.480 0.000 0.995 64 S CB 0.117 62.867 63.200 -0.751 0.000 0.944 64 S HN 0.717 nan 8.310 nan 0.000 0.529 65 W N 1.998 123.160 121.300 -0.230 0.000 2.781 65 W HA 0.479 5.139 4.660 -0.000 0.000 0.345 65 W C -0.751 175.460 176.519 -0.513 0.000 1.085 65 W CA -0.624 56.481 57.345 -0.401 0.000 1.198 65 W CB 0.549 29.822 29.460 -0.312 0.000 1.423 65 W HN 0.143 nan 8.180 nan 0.000 0.532 66 H N 2.179 121.190 119.070 -0.099 0.000 2.690 66 H HA 0.217 4.772 4.556 -0.000 0.000 0.289 66 H C 0.239 175.472 175.328 -0.159 0.000 1.089 66 H CA -0.053 55.905 56.048 -0.149 0.000 1.299 66 H CB 0.392 29.990 29.762 -0.274 0.000 1.405 66 H HN 0.159 nan 8.280 nan 0.000 0.463 67 H N 1.925 121.140 119.070 0.243 0.000 2.505 67 H HA 0.046 4.602 4.556 -0.000 0.000 0.355 67 H C 0.453 175.873 175.328 0.154 0.000 1.179 67 H CA -0.330 55.834 56.048 0.194 0.000 1.343 67 H CB 0.859 30.811 29.762 0.318 0.000 1.501 67 H HN 0.627 nan 8.280 nan 0.000 0.569 68 D N 0.438 120.986 120.400 0.247 0.000 2.699 68 D HA -0.150 4.490 4.640 -0.000 0.000 0.239 68 D C 0.959 177.208 176.300 -0.085 0.000 1.136 68 D CA 1.075 55.132 54.000 0.096 0.000 0.668 68 D CB -1.855 39.032 40.800 0.145 0.000 1.060 68 D HN 0.784 nan 8.370 nan 0.000 0.429 69 T N -2.958 111.473 114.554 -0.206 0.000 3.139 69 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 69 T C 1.964 176.614 174.700 -0.084 0.000 1.164 69 T CA 0.320 62.154 62.100 -0.443 0.000 1.075 69 T CB 0.052 68.351 68.868 -0.950 0.000 0.904 69 T HN 0.413 nan 8.240 nan 0.000 0.540 70 L N 1.213 122.415 121.223 -0.035 0.000 2.341 70 L HA 0.111 4.451 4.340 -0.000 0.000 0.214 70 L C 2.630 179.500 176.870 -0.000 0.000 1.115 70 L CA 1.360 56.207 54.840 0.011 0.000 0.820 70 L CB -0.089 41.973 42.059 0.005 0.000 0.944 70 L HN 0.546 nan 8.230 nan 0.000 0.452 71 T N -6.548 107.977 114.554 -0.048 0.000 3.041 71 T HA 0.035 4.385 4.350 -0.000 0.000 0.276 71 T C 0.606 175.181 174.700 -0.208 0.000 0.948 71 T CA -0.402 61.649 62.100 -0.082 0.000 0.885 71 T CB -0.511 68.320 68.868 -0.063 0.000 1.175 71 T HN 0.081 nan 8.240 nan 0.000 0.529 72 N N 4.066 122.586 118.700 -0.301 0.000 2.418 72 N HA 0.078 4.817 4.740 -0.000 0.000 0.277 72 N C -1.095 174.222 175.510 -0.321 0.000 1.317 72 N CA -1.275 51.420 53.050 -0.592 0.000 0.922 72 N CB 1.048 39.285 38.487 -0.416 0.000 1.194 72 N HN 0.122 nan 8.380 nan 0.000 0.485 73 P HA -0.225 nan 4.420 nan 0.000 0.213 73 P C 1.539 178.630 177.300 -0.349 0.000 1.170 73 P CA 0.838 63.840 63.100 -0.162 0.000 0.898 73 P CB 0.098 31.840 31.700 0.070 0.000 0.787 74 L N -0.798 120.098 121.223 -0.545 0.000 2.021 74 L HA -0.198 4.142 4.340 -0.000 0.000 0.215 74 L C 2.620 179.160 176.870 -0.549 0.000 1.074 74 L CA 1.946 56.261 54.840 -0.874 0.000 0.760 74 L CB -1.714 39.917 42.059 -0.713 0.000 0.889 74 L HN -0.173 nan 8.230 nan 0.000 0.433 75 F N -0.267 119.351 119.950 -0.553 0.000 2.091 75 F HA -0.265 4.262 4.527 -0.000 0.000 0.299 75 F C 2.054 177.574 175.800 -0.467 0.000 1.103 75 F CA 2.074 59.669 58.000 -0.675 0.000 1.228 75 F CB -0.518 38.120 39.000 -0.605 0.000 0.984 75 F HN 0.087 nan 8.300 nan 0.000 0.477 76 L N -0.044 120.862 121.223 -0.528 0.000 2.012 76 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 76 L C 2.493 179.107 176.870 -0.426 0.000 1.073 76 L CA 2.080 56.635 54.840 -0.475 0.000 0.748 76 L CB -1.211 40.729 42.059 -0.198 0.000 0.891 76 L HN 0.252 nan 8.230 nan 0.000 0.431 77 E N 0.293 120.277 120.200 -0.361 0.000 2.049 77 E HA -0.250 4.100 4.350 -0.000 0.000 0.198 77 E C 2.160 178.604 176.600 -0.259 0.000 1.007 77 E CA 1.472 57.717 56.400 -0.258 0.000 0.809 77 E CB 0.126 29.656 29.700 -0.283 0.000 0.749 77 E HN 0.374 nan 8.360 nan 0.000 0.450 78 E N -0.092 119.895 120.200 -0.355 0.000 2.110 78 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 78 E C 1.949 178.470 176.600 -0.131 0.000 0.988 78 E CA 1.025 57.292 56.400 -0.222 0.000 0.804 78 E CB -0.256 29.305 29.700 -0.233 0.000 0.745 78 E HN 0.376 nan 8.360 nan 0.000 0.458 79 A N 1.212 123.824 122.820 -0.346 0.000 1.898 79 A HA -0.189 4.130 4.320 -0.000 0.000 0.216 79 A C 2.149 179.676 177.584 -0.096 0.000 1.181 79 A CA 1.220 53.157 52.037 -0.167 0.000 0.620 79 A CB -0.467 18.254 19.000 -0.464 0.000 0.819 79 A HN 0.153 nan 8.150 nan 0.000 0.442 80 Q N -0.560 119.156 119.800 -0.139 0.000 2.170 80 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 80 Q C 2.017 177.982 176.000 -0.059 0.000 0.976 80 Q CA 1.165 56.920 55.803 -0.081 0.000 0.858 80 Q CB -0.187 28.505 28.738 -0.077 0.000 0.907 80 Q HN 0.733 nan 8.270 nan 0.000 0.433 81 L N -0.496 120.687 121.223 -0.067 0.000 2.072 81 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 81 L C 2.380 179.215 176.870 -0.059 0.000 1.079 81 L CA 0.905 55.712 54.840 -0.054 0.000 0.752 81 L CB -0.299 41.727 42.059 -0.054 0.000 0.906 81 L HN 0.085 nan 8.230 nan 0.000 0.436 82 S N 0.182 115.841 115.700 -0.068 0.000 2.419 82 S HA -0.149 4.320 4.470 -0.000 0.000 0.233 82 S C 1.834 176.394 174.600 -0.068 0.000 1.016 82 S CA 0.850 58.986 58.200 -0.106 0.000 0.974 82 S CB -0.267 62.815 63.200 -0.197 0.000 0.786 82 S HN 0.188 nan 8.310 nan 0.000 0.492 83 L N 2.916 124.118 121.223 -0.036 0.000 2.017 83 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 83 L C 1.598 178.452 176.870 -0.027 0.000 1.073 83 L CA 1.612 56.439 54.840 -0.021 0.000 0.745 83 L CB -0.935 41.115 42.059 -0.014 0.000 0.894 83 L HN 0.240 nan 8.230 nan 0.000 0.432 84 N N 0.471 119.152 118.700 -0.031 0.000 2.093 84 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 84 N C 1.414 176.904 175.510 -0.033 0.000 1.080 84 N CA 1.393 54.427 53.050 -0.028 0.000 0.891 84 N CB -1.352 37.120 38.487 -0.026 0.000 1.050 84 N HN 0.438 nan 8.380 nan 0.000 0.444 85 D N -0.373 120.005 120.400 -0.037 0.000 2.332 85 D HA -0.066 4.573 4.640 -0.000 0.000 0.209 85 D C 1.114 177.385 176.300 -0.049 0.000 0.988 85 D CA 1.327 55.303 54.000 -0.041 0.000 0.912 85 D CB -0.797 39.977 40.800 -0.045 0.000 0.899 85 D HN 0.619 nan 8.370 nan 0.000 0.477 86 G N 0.111 108.878 108.800 -0.056 0.000 2.258 86 G HA2 -0.403 3.556 3.960 -0.000 0.000 0.274 86 G HA3 -0.403 3.556 3.960 -0.000 0.000 0.274 86 G C 0.245 175.094 174.900 -0.084 0.000 1.021 86 G CA 0.269 45.331 45.100 -0.063 0.000 0.798 86 G HN 0.652 nan 8.290 nan 0.000 0.507 87 R N 0.576 121.015 120.500 -0.101 0.000 2.340 87 R HA 0.506 4.846 4.340 -0.000 0.000 0.300 87 R C 0.542 176.733 176.300 -0.181 0.000 1.069 87 R CA -0.091 55.941 56.100 -0.114 0.000 0.984 87 R CB 0.186 30.429 30.300 -0.095 0.000 1.003 87 R HN 0.024 nan 8.270 nan 0.000 0.459 88 T N 6.192 120.643 114.554 -0.171 0.000 2.800 88 T HA 0.063 4.413 4.350 -0.000 0.000 0.266 88 T C 0.912 175.446 174.700 -0.276 0.000 0.939 88 T CA 0.340 62.299 62.100 -0.234 0.000 1.199 88 T CB -0.126 68.663 68.868 -0.132 0.000 0.899 88 T HN 0.462 nan 8.240 nan 0.000 0.555 89 R N 1.831 122.038 120.500 -0.489 0.000 2.290 89 R HA 0.242 4.582 4.340 -0.000 0.000 0.197 89 R C -0.204 176.003 176.300 -0.155 0.000 0.913 89 R CA 0.354 56.261 56.100 -0.322 0.000 1.040 89 R CB 0.355 30.514 30.300 -0.234 0.000 0.992 89 R HN 0.659 nan 8.270 nan 0.000 0.500 90 F N -4.180 115.776 119.950 0.009 0.000 2.807 90 F HA 0.503 5.030 4.527 -0.000 0.000 0.316 90 F C -1.476 174.349 175.800 0.041 0.000 1.162 90 F CA -1.663 56.343 58.000 0.011 0.000 0.910 90 F CB 0.886 39.925 39.000 0.065 0.000 1.314 90 F HN -0.353 nan 8.300 nan 0.000 0.454 91 V N 1.335 121.465 119.914 0.361 0.000 2.888 91 V HA 0.628 4.748 4.120 -0.000 0.000 0.309 91 V C -1.640 174.560 176.094 0.177 0.000 1.114 91 V CA -0.910 61.567 62.300 0.295 0.000 0.940 91 V CB 2.071 34.032 31.823 0.230 0.000 1.021 91 V HN 0.674 nan 8.190 nan 0.000 0.426 92 F N 5.536 125.657 119.950 0.285 0.000 2.464 92 F HA 0.324 4.851 4.527 -0.000 0.000 0.353 92 F C 1.070 176.984 175.800 0.189 0.000 1.191 92 F CA -0.538 57.593 58.000 0.217 0.000 1.147 92 F CB 0.555 39.648 39.000 0.156 0.000 1.294 92 F HN 0.714 nan 8.300 nan 0.000 0.583 93 D N -0.440 120.145 120.400 0.308 0.000 2.358 93 D HA -0.006 4.633 4.640 -0.000 0.000 0.224 93 D C -0.133 176.288 176.300 0.202 0.000 1.123 93 D CA -0.216 53.923 54.000 0.232 0.000 0.833 93 D CB -0.414 40.505 40.800 0.199 0.000 0.946 93 D HN 0.178 nan 8.370 nan 0.000 0.505 94 D N 0.688 121.223 120.400 0.226 0.000 2.399 94 D HA 0.271 4.911 4.640 -0.000 0.000 0.241 94 D C -0.115 176.281 176.300 0.160 0.000 1.133 94 D CA 0.559 54.681 54.000 0.204 0.000 0.890 94 D CB 1.240 42.160 40.800 0.200 0.000 1.201 94 D HN 0.165 nan 8.370 nan 0.000 0.432 95 D N -0.012 120.492 120.400 0.172 0.000 2.665 95 D HA 0.104 4.744 4.640 -0.000 0.000 0.287 95 D C -1.076 175.336 176.300 0.187 0.000 1.266 95 D CA -0.562 53.500 54.000 0.103 0.000 0.830 95 D CB 1.400 42.193 40.800 -0.011 0.000 1.356 95 D HN 0.103 nan 8.370 nan 0.000 0.437 96 N N 0.995 119.759 118.700 0.107 0.000 2.442 96 N HA 0.128 4.868 4.740 -0.000 0.000 0.265 96 N C -0.343 175.265 175.510 0.164 0.000 1.138 96 N CA 0.080 53.216 53.050 0.143 0.000 0.956 96 N CB 0.148 38.649 38.487 0.024 0.000 1.067 96 N HN 0.188 nan 8.380 nan 0.000 0.474 97 F N 2.452 122.354 119.950 -0.080 0.000 2.519 97 F HA 0.174 4.701 4.527 -0.000 0.000 0.375 97 F C 1.311 176.922 175.800 -0.314 0.000 1.084 97 F CA -0.333 57.491 58.000 -0.293 0.000 1.147 97 F CB -0.054 38.645 39.000 -0.501 0.000 1.088 97 F HN 0.235 nan 8.300 nan 0.000 0.555 98 I N 4.842 125.274 120.570 -0.230 0.000 2.496 98 I HA 0.018 4.188 4.170 -0.000 0.000 0.285 98 I C -0.618 175.368 176.117 -0.219 0.000 1.080 98 I CA 0.001 61.229 61.300 -0.121 0.000 1.404 98 I CB 0.456 38.367 38.000 -0.148 0.000 1.403 98 I HN 0.411 nan 8.210 nan 0.000 0.539 99 Y N 6.468 126.811 120.300 0.071 0.000 2.376 99 Y HA 0.597 5.147 4.550 -0.000 0.000 0.340 99 Y C -0.052 175.884 175.900 0.059 0.000 0.965 99 Y CA -0.610 57.547 58.100 0.095 0.000 1.078 99 Y CB 1.663 40.200 38.460 0.130 0.000 1.193 99 Y HN 0.285 nan 8.280 nan 0.000 0.452 100 I N 3.109 123.818 120.570 0.232 0.000 2.545 100 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 100 I C -1.120 175.146 176.117 0.248 0.000 1.040 100 I CA -0.799 60.607 61.300 0.177 0.000 1.068 100 I CB 2.079 40.165 38.000 0.143 0.000 1.251 100 I HN 0.557 nan 8.210 nan 0.000 0.424 101 D N 5.318 125.791 120.400 0.123 0.000 2.375 101 D HA 0.102 4.742 4.640 -0.000 0.000 0.247 101 D C 0.731 176.926 176.300 -0.175 0.000 1.061 101 D CA -0.308 53.722 54.000 0.050 0.000 0.834 101 D CB 2.232 43.022 40.800 -0.016 0.000 1.247 101 D HN 0.760 nan 8.370 nan 0.000 0.489 102 E N 2.776 122.563 120.200 -0.688 0.000 2.169 102 E HA -0.281 4.069 4.350 -0.000 0.000 0.202 102 E C 1.074 177.394 176.600 -0.468 0.000 1.016 102 E CA 1.634 57.373 56.400 -1.101 0.000 0.817 102 E CB 0.329 28.872 29.700 -1.928 0.000 0.736 102 E HN 0.642 nan 8.360 nan 0.000 0.462 103 E N -0.190 119.833 120.200 -0.296 0.000 2.034 103 E HA -0.111 4.238 4.350 -0.000 0.000 0.192 103 E C 2.316 178.862 176.600 -0.089 0.000 0.963 103 E CA 0.250 56.559 56.400 -0.153 0.000 0.831 103 E CB -0.112 29.538 29.700 -0.083 0.000 0.801 103 E HN 0.069 nan 8.360 nan 0.000 0.463 104 R N -0.068 120.395 120.500 -0.060 0.000 2.120 104 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 104 R C 0.989 177.247 176.300 -0.069 0.000 1.123 104 R CA 1.448 57.510 56.100 -0.064 0.000 0.975 104 R CB -0.144 30.085 30.300 -0.119 0.000 0.866 104 R HN 0.400 nan 8.270 nan 0.000 0.446 105 G N -0.069 108.690 108.800 -0.068 0.000 2.513 105 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.227 105 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.227 105 G C -1.094 173.798 174.900 -0.013 0.000 1.176 105 G CA -0.099 44.985 45.100 -0.028 0.000 0.967 105 G HN 0.343 nan 8.290 nan 0.000 0.587 106 R N 0.390 120.891 120.500 0.002 0.000 2.537 106 R HA 0.395 4.735 4.340 -0.000 0.000 0.280 106 R C 1.058 177.358 176.300 0.000 0.000 1.058 106 R CA 0.610 56.727 56.100 0.028 0.000 1.057 106 R CB 1.016 31.338 30.300 0.036 0.000 0.973 106 R HN 1.273 nan 8.270 nan 0.000 0.438 107 V N -1.771 118.160 119.914 0.030 0.000 3.199 107 V HA 0.106 4.226 4.120 -0.000 0.000 0.331 107 V C -0.022 176.104 176.094 0.055 0.000 1.446 107 V CA -0.539 61.739 62.300 -0.036 0.000 1.120 107 V CB 0.077 31.776 31.823 -0.206 0.000 1.051 107 V HN 0.722 nan 8.190 nan 0.000 0.495 108 D N -0.292 120.213 120.400 0.174 0.000 2.312 108 D HA 0.176 4.816 4.640 -0.000 0.000 0.248 108 D C 0.582 177.024 176.300 0.238 0.000 1.086 108 D CA -0.301 53.864 54.000 0.274 0.000 0.948 108 D CB 0.734 41.789 40.800 0.424 0.000 1.162 108 D HN 0.322 nan 8.370 nan 0.000 0.446 109 H N -0.737 118.403 119.070 0.117 0.000 2.684 109 H HA -0.230 4.326 4.556 -0.000 0.000 0.309 109 H C -0.723 174.638 175.328 0.054 0.000 1.102 109 H CA 1.013 57.109 56.048 0.081 0.000 1.147 109 H CB -1.122 28.689 29.762 0.082 0.000 1.391 109 H HN 0.445 nan 8.280 nan 0.000 0.398 110 D N 0.675 121.075 120.400 -0.001 0.000 2.317 110 D HA 0.026 4.666 4.640 -0.000 0.000 0.252 110 D C 1.363 177.617 176.300 -0.077 0.000 1.174 110 D CA 0.297 54.276 54.000 -0.034 0.000 0.866 110 D CB 0.676 41.471 40.800 -0.008 0.000 1.127 110 D HN 0.727 nan 8.370 nan 0.000 0.467 111 K N 3.291 123.638 120.400 -0.088 0.000 2.160 111 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 111 K C 0.953 177.533 176.600 -0.034 0.000 1.047 111 K CA 1.303 57.544 56.287 -0.077 0.000 0.930 111 K CB 0.069 32.535 32.500 -0.056 0.000 0.720 111 K HN 0.455 nan 8.250 nan 0.000 0.450 112 E N 0.807 120.999 120.200 -0.014 0.000 2.166 112 E HA 0.047 4.397 4.350 -0.000 0.000 0.192 112 E C 2.198 178.811 176.600 0.022 0.000 0.967 112 E CA 0.358 56.762 56.400 0.007 0.000 0.840 112 E CB 0.021 29.730 29.700 0.015 0.000 0.795 112 E HN 0.227 nan 8.360 nan 0.000 0.470 113 L N 0.616 121.852 121.223 0.020 0.000 2.072 113 L HA -0.016 4.323 4.340 -0.000 0.000 0.205 113 L C 0.952 177.847 176.870 0.042 0.000 1.079 113 L CA 0.412 55.278 54.840 0.043 0.000 0.752 113 L CB -0.397 41.679 42.059 0.028 0.000 0.906 113 L HN 0.165 nan 8.230 nan 0.000 0.436 114 L N 0.189 121.421 121.223 0.016 0.000 3.833 114 L HA -0.286 4.053 4.340 -0.000 0.000 0.447 114 L C 1.400 178.297 176.870 0.044 0.000 1.213 114 L CA -0.198 54.653 54.840 0.019 0.000 0.801 114 L CB -1.571 40.501 42.059 0.022 0.000 1.676 114 L HN 0.338 nan 8.230 nan 0.000 0.883 115 L N -0.504 120.742 121.223 0.039 0.000 2.017 115 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 115 L C 2.291 179.184 176.870 0.039 0.000 1.073 115 L CA 1.903 56.767 54.840 0.039 0.000 0.745 115 L CB -0.144 41.909 42.059 -0.010 0.000 0.894 115 L HN 0.397 nan 8.230 nan 0.000 0.432 116 E N 0.372 120.593 120.200 0.036 0.000 2.160 116 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 116 E C 2.067 178.713 176.600 0.076 0.000 0.991 116 E CA 1.166 57.603 56.400 0.062 0.000 0.810 116 E CB -0.259 29.504 29.700 0.105 0.000 0.742 116 E HN 0.476 nan 8.360 nan 0.000 0.466 117 I N 0.217 120.829 120.570 0.070 0.000 2.202 117 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 117 I C 2.150 178.310 176.117 0.073 0.000 1.091 117 I CA 1.001 62.340 61.300 0.066 0.000 1.368 117 I CB -0.410 37.622 38.000 0.054 0.000 1.058 117 I HN 0.083 nan 8.210 nan 0.000 0.410 118 V N -1.463 118.506 119.914 0.091 0.000 2.667 118 V HA -0.184 3.935 4.120 -0.000 0.000 0.252 118 V C 2.010 178.154 176.094 0.083 0.000 1.065 118 V CA 1.871 64.244 62.300 0.122 0.000 1.083 118 V CB -0.858 31.076 31.823 0.185 0.000 0.692 118 V HN 0.343 nan 8.190 nan 0.000 0.468 119 D N 1.584 122.039 120.400 0.091 0.000 2.178 119 D HA -0.220 4.420 4.640 -0.000 0.000 0.201 119 D C 1.972 178.324 176.300 0.086 0.000 0.980 119 D CA 1.768 55.831 54.000 0.105 0.000 0.842 119 D CB -0.306 40.587 40.800 0.156 0.000 0.948 119 D HN 0.569 nan 8.370 nan 0.000 0.472 120 N N 0.134 118.878 118.700 0.072 0.000 2.216 120 N HA -0.149 4.591 4.740 -0.000 0.000 0.183 120 N C 1.620 177.134 175.510 0.007 0.000 1.017 120 N CA 1.102 54.188 53.050 0.059 0.000 0.861 120 N CB -0.109 38.412 38.487 0.056 0.000 0.986 120 N HN 0.203 nan 8.380 nan 0.000 0.428 121 E N -0.769 119.425 120.200 -0.010 0.000 2.338 121 E HA -0.151 4.199 4.350 -0.000 0.000 0.197 121 E C 1.650 178.143 176.600 -0.179 0.000 1.007 121 E CA 0.515 56.896 56.400 -0.032 0.000 0.849 121 E CB 0.036 29.759 29.700 0.039 0.000 0.774 121 E HN 0.417 nan 8.360 nan 0.000 0.506 122 M N 0.063 119.483 119.600 -0.301 0.000 2.123 122 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 122 M C 2.281 178.396 176.300 -0.309 0.000 1.069 122 M CA 1.148 56.141 55.300 -0.512 0.000 1.133 122 M CB -0.270 32.131 32.600 -0.331 0.000 1.356 122 M HN 0.064 nan 8.290 nan 0.000 0.415 123 S N 0.318 115.891 115.700 -0.212 0.000 2.356 123 S HA -0.115 4.355 4.470 -0.000 0.000 0.223 123 S C 1.844 176.283 174.600 -0.268 0.000 1.032 123 S CA 0.977 58.953 58.200 -0.373 0.000 1.005 123 S CB -0.155 63.068 63.200 0.039 0.000 0.867 123 S HN 0.316 nan 8.310 nan 0.000 0.449 124 K N 0.835 121.169 120.400 -0.110 0.000 2.063 124 K HA -0.061 4.259 4.320 -0.000 0.000 0.208 124 K C 1.776 178.346 176.600 -0.049 0.000 1.048 124 K CA 1.085 57.339 56.287 -0.056 0.000 0.928 124 K CB -0.733 31.762 32.500 -0.008 0.000 0.713 124 K HN 0.418 nan 8.250 nan 0.000 0.442 125 F N 1.692 121.518 119.950 -0.207 0.000 2.069 125 F HA -0.246 4.280 4.527 -0.000 0.000 0.298 125 F C 2.210 177.858 175.800 -0.254 0.000 1.113 125 F CA 1.648 59.539 58.000 -0.181 0.000 1.214 125 F CB -0.703 38.180 39.000 -0.194 0.000 0.978 125 F HN 0.043 nan 8.300 nan 0.000 0.474 126 A N 0.071 122.641 122.820 -0.417 0.000 1.892 126 A HA -0.315 4.005 4.320 -0.000 0.000 0.218 126 A C 2.302 179.632 177.584 -0.424 0.000 1.188 126 A CA 2.096 53.779 52.037 -0.591 0.000 0.631 126 A CB -1.285 17.185 19.000 -0.883 0.000 0.822 126 A HN 0.631 nan 8.150 nan 0.000 0.447 127 E N -0.177 119.922 120.200 -0.169 0.000 2.023 127 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 127 E C 2.022 178.645 176.600 0.039 0.000 1.003 127 E CA 1.484 57.975 56.400 0.152 0.000 0.809 127 E CB -0.299 29.426 29.700 0.041 0.000 0.755 127 E HN 0.612 nan 8.360 nan 0.000 0.449 128 L N 0.936 122.095 121.223 -0.108 0.000 2.051 128 L HA -0.233 4.106 4.340 -0.000 0.000 0.214 128 L C 2.571 179.367 176.870 -0.124 0.000 1.076 128 L CA 1.330 56.111 54.840 -0.099 0.000 0.758 128 L CB -0.495 41.507 42.059 -0.094 0.000 0.890 128 L HN 0.206 nan 8.230 nan 0.000 0.433 129 E N -0.483 119.430 120.200 -0.477 0.000 2.204 129 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 129 E C 0.971 177.422 176.600 -0.247 0.000 0.989 129 E CA 0.972 57.021 56.400 -0.585 0.000 0.824 129 E CB 0.005 29.029 29.700 -1.127 0.000 0.756 129 E HN 0.445 nan 8.360 nan 0.000 0.477 130 F N -1.196 118.767 119.950 0.021 0.000 3.036 130 F HA 0.276 4.802 4.527 -0.000 0.000 0.274 130 F C 1.296 177.110 175.800 0.023 0.000 1.474 130 F CA -1.133 56.858 58.000 -0.016 0.000 0.987 130 F CB 0.094 38.964 39.000 -0.217 0.000 1.877 130 F HN -0.112 nan 8.300 nan 0.000 0.421 131 H N 0.732 119.951 119.070 0.250 0.000 2.853 131 H HA -0.217 4.339 4.556 -0.000 0.000 0.306 131 H C -0.459 174.877 175.328 0.014 0.000 1.055 131 H CA 1.512 57.617 56.048 0.096 0.000 1.179 131 H CB -1.226 28.577 29.762 0.068 0.000 1.352 131 H HN 0.460 nan 8.280 nan 0.000 0.361 132 Q N -0.474 119.357 119.800 0.051 0.000 3.196 132 Q HA 0.080 4.420 4.340 -0.000 0.000 0.175 132 Q C -1.119 174.612 176.000 -0.449 0.000 0.594 132 Q CA -0.078 55.634 55.803 -0.153 0.000 1.017 132 Q CB 0.667 29.283 28.738 -0.203 0.000 1.505 132 Q HN 0.372 nan 8.270 nan 0.000 0.351 133 H N -0.177 118.922 119.070 0.048 0.000 3.064 133 H HA 0.248 4.804 4.556 -0.000 0.000 0.352 133 H C -0.351 174.995 175.328 0.031 0.000 1.260 133 H CA -0.591 55.481 56.048 0.040 0.000 1.160 133 H CB 1.457 31.253 29.762 0.057 0.000 1.879 133 H HN 0.160 nan 8.280 nan 0.000 0.544 134 L N 1.978 123.300 121.223 0.165 0.000 2.919 134 L HA 0.171 4.511 4.340 -0.000 0.000 0.242 134 L C 1.298 178.210 176.870 0.071 0.000 1.366 134 L CA 0.900 55.792 54.840 0.087 0.000 1.212 134 L CB -0.586 41.512 42.059 0.065 0.000 1.604 134 L HN 1.061 nan 8.230 nan 0.000 0.433 135 G N -1.787 107.062 108.800 0.080 0.000 2.561 135 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.203 135 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.203 135 G C 0.552 175.489 174.900 0.063 0.000 1.101 135 G CA -0.102 45.023 45.100 0.041 0.000 0.711 135 G HN 0.093 nan 8.290 nan 0.000 0.511 136 V N -0.419 119.532 119.914 0.063 0.000 0.645 136 V HA -0.328 3.792 4.120 -0.000 0.000 0.092 136 V C 2.084 178.192 176.094 0.024 0.000 1.375 136 V CA 4.463 66.777 62.300 0.022 0.000 3.243 136 V CB -1.951 29.971 31.823 0.165 0.000 0.491 136 V HN 2.653 nan 8.190 nan 0.000 0.491 137 S N -2.442 113.297 115.700 0.065 0.000 1.936 137 S HA 0.061 4.531 4.470 -0.000 0.000 0.184 137 S C -0.308 174.324 174.600 0.053 0.000 0.757 137 S CA 0.527 58.754 58.200 0.044 0.000 1.740 137 S CB -0.105 63.116 63.200 0.034 0.000 1.156 137 S HN 1.433 nan 8.310 nan 0.000 0.474 138 D N 2.422 122.878 120.400 0.094 0.000 3.142 138 D HA -0.132 4.508 4.640 -0.000 0.000 0.221 138 D C 0.929 177.266 176.300 0.062 0.000 1.193 138 D CA 1.243 55.261 54.000 0.030 0.000 0.900 138 D CB -1.950 38.792 40.800 -0.097 0.000 0.886 138 D HN 0.882 nan 8.370 nan 0.000 0.399 139 C N 0.188 119.565 119.300 0.128 0.000 2.596 139 C HA 0.743 5.203 4.460 -0.000 0.000 0.372 139 C C 1.585 176.645 174.990 0.116 0.000 1.881 139 C CA -0.107 58.968 59.018 0.095 0.000 1.902 139 C CB 0.846 28.636 27.740 0.082 0.000 1.922 139 C HN 0.601 nan 8.230 nan 0.000 0.495 140 S N -0.183 115.578 115.700 0.102 0.000 2.634 140 S HA 0.302 4.772 4.470 -0.000 0.000 0.261 140 S C 0.436 175.180 174.600 0.242 0.000 1.271 140 S CA -0.063 58.218 58.200 0.135 0.000 0.985 140 S CB 0.141 63.399 63.200 0.097 0.000 0.968 140 S HN 0.932 nan 8.310 nan 0.000 0.568 141 F N 1.375 121.392 119.950 0.113 0.000 2.084 141 F HA 0.019 4.546 4.527 -0.000 0.000 0.296 141 F C 1.837 177.743 175.800 0.176 0.000 1.111 141 F CA 0.805 58.919 58.000 0.191 0.000 1.224 141 F CB -1.291 37.841 39.000 0.220 0.000 0.991 141 F HN 0.729 nan 8.300 nan 0.000 0.471 142 F N 1.329 121.155 119.950 -0.208 0.000 2.236 142 F HA -0.221 4.306 4.527 -0.000 0.000 0.302 142 F C 2.230 177.775 175.800 -0.425 0.000 1.073 142 F CA 1.884 59.422 58.000 -0.770 0.000 1.336 142 F CB -0.591 37.504 39.000 -1.508 0.000 1.040 142 F HN 0.133 nan 8.300 nan 0.000 0.507 143 Q N -0.195 119.361 119.800 -0.407 0.000 2.212 143 Q HA -0.088 4.252 4.340 -0.000 0.000 0.199 143 Q C 2.235 178.127 176.000 -0.180 0.000 0.950 143 Q CA 1.157 56.733 55.803 -0.378 0.000 0.863 143 Q CB -0.224 28.455 28.738 -0.099 0.000 0.944 143 Q HN 0.531 nan 8.270 nan 0.000 0.465 144 L N 0.127 121.355 121.223 0.008 0.000 2.109 144 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 144 L C 2.086 179.068 176.870 0.188 0.000 1.086 144 L CA 1.182 56.124 54.840 0.170 0.000 0.760 144 L CB -0.360 41.901 42.059 0.337 0.000 0.910 144 L HN -0.090 nan 8.230 nan 0.000 0.437 145 V N -0.512 119.433 119.914 0.051 0.000 2.295 145 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 145 V C 2.631 178.759 176.094 0.056 0.000 1.049 145 V CA 1.849 64.213 62.300 0.107 0.000 1.024 145 V CB -0.705 31.161 31.823 0.071 0.000 0.648 145 V HN 0.396 nan 8.190 nan 0.000 0.447 146 M N -0.023 119.464 119.600 -0.187 0.000 2.065 146 M HA -0.182 4.298 4.480 -0.000 0.000 0.259 146 M C 2.171 178.412 176.300 -0.098 0.000 1.069 146 M CA 1.756 56.934 55.300 -0.204 0.000 1.110 146 M CB -1.277 31.057 32.600 -0.444 0.000 1.328 146 M HN 0.332 nan 8.290 nan 0.000 0.405 147 K N -1.029 119.355 120.400 -0.027 0.000 2.074 147 K HA -0.232 4.088 4.320 -0.000 0.000 0.209 147 K C 2.067 178.683 176.600 0.028 0.000 1.048 147 K CA 1.701 58.026 56.287 0.062 0.000 0.926 147 K CB -0.595 32.020 32.500 0.191 0.000 0.713 147 K HN 0.266 nan 8.250 nan 0.000 0.444 148 Y N 2.116 122.343 120.300 -0.123 0.000 2.060 148 Y HA -0.214 4.336 4.550 -0.000 0.000 0.276 148 Y C 1.973 177.673 175.900 -0.333 0.000 1.127 148 Y CA 1.353 59.125 58.100 -0.547 0.000 1.104 148 Y CB -0.733 37.495 38.460 -0.387 0.000 0.983 148 Y HN -0.106 nan 8.280 nan 0.000 0.483 149 L N -0.083 120.902 121.223 -0.397 0.000 2.034 149 L HA -0.325 4.014 4.340 -0.000 0.000 0.217 149 L C 2.731 179.376 176.870 -0.374 0.000 1.077 149 L CA 1.758 56.348 54.840 -0.417 0.000 0.769 149 L CB -0.990 40.995 42.059 -0.124 0.000 0.890 149 L HN 0.394 nan 8.230 nan 0.000 0.435 150 L N -0.381 120.681 121.223 -0.268 0.000 1.970 150 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 150 L C 2.815 179.541 176.870 -0.240 0.000 1.071 150 L CA 1.820 56.527 54.840 -0.222 0.000 0.751 150 L CB -0.363 41.605 42.059 -0.152 0.000 0.889 150 L HN 0.441 nan 8.230 nan 0.000 0.432 151 Q N -0.381 119.277 119.800 -0.237 0.000 2.096 151 Q HA -0.219 4.120 4.340 -0.000 0.000 0.204 151 Q C 1.541 177.412 176.000 -0.215 0.000 0.982 151 Q CA 1.445 57.134 55.803 -0.190 0.000 0.850 151 Q CB 0.137 28.794 28.738 -0.134 0.000 0.901 151 Q HN 0.378 nan 8.270 nan 0.000 0.422 152 R N 0.291 120.575 120.500 -0.360 0.000 2.427 152 R HA 0.073 4.412 4.340 -0.000 0.000 0.262 152 R C 1.811 177.934 176.300 -0.295 0.000 0.943 152 R CA 0.349 56.306 56.100 -0.239 0.000 1.081 152 R CB -0.081 29.990 30.300 -0.381 0.000 1.166 152 R HN 0.450 nan 8.270 nan 0.000 0.534 153 R N 0.787 121.078 120.500 -0.349 0.000 2.117 153 R HA -0.216 4.124 4.340 -0.000 0.000 0.243 153 R C 1.789 177.884 176.300 -0.342 0.000 1.143 153 R CA 1.633 57.550 56.100 -0.305 0.000 0.968 153 R CB -0.597 29.541 30.300 -0.270 0.000 0.863 153 R HN 0.186 nan 8.270 nan 0.000 0.444 154 Q N 0.469 119.931 119.800 -0.565 0.000 2.508 154 Q HA -0.092 4.248 4.340 -0.000 0.000 0.214 154 Q C 0.230 175.791 176.000 -0.732 0.000 0.979 154 Q CA 1.063 56.422 55.803 -0.740 0.000 0.911 154 Q CB 0.089 28.175 28.738 -1.088 0.000 0.969 154 Q HN 0.610 nan 8.270 nan 0.000 0.504 155 F N -0.131 119.765 119.950 -0.091 0.000 2.735 155 F HA 0.347 4.873 4.527 -0.000 0.000 0.308 155 F C -0.475 175.291 175.800 -0.057 0.000 1.112 155 F CA -0.653 57.308 58.000 -0.064 0.000 1.235 155 F CB 0.876 39.842 39.000 -0.058 0.000 1.027 155 F HN -0.124 nan 8.300 nan 0.000 0.528 156 L N 0.446 121.683 121.223 0.024 0.000 2.408 156 L HA 0.475 4.815 4.340 -0.000 0.000 0.268 156 L C 0.288 177.154 176.870 -0.007 0.000 0.986 156 L CA -0.981 53.868 54.840 0.014 0.000 0.820 156 L CB 2.277 44.312 42.059 -0.040 0.000 1.303 156 L HN 0.008 nan 8.230 nan 0.000 0.411 157 T N -2.154 112.413 114.554 0.022 0.000 2.828 157 T HA 0.167 4.517 4.350 -0.000 0.000 0.290 157 T C 1.021 175.724 174.700 0.005 0.000 1.019 157 T CA -0.528 61.581 62.100 0.014 0.000 1.031 157 T CB 0.837 69.727 68.868 0.036 0.000 1.001 157 T HN 0.551 nan 8.240 nan 0.000 0.531 158 N N 1.657 120.351 118.700 -0.009 0.000 2.007 158 N HA -0.154 4.586 4.740 -0.000 0.000 0.197 158 N C 1.394 176.904 175.510 -0.001 0.000 1.050 158 N CA 1.764 54.800 53.050 -0.022 0.000 0.856 158 N CB -0.821 37.648 38.487 -0.030 0.000 1.050 158 N HN 0.695 nan 8.380 nan 0.000 0.423 159 D N 1.096 121.514 120.400 0.030 0.000 2.203 159 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 159 D C 2.027 178.417 176.300 0.150 0.000 0.997 159 D CA 1.019 55.069 54.000 0.083 0.000 0.863 159 D CB -0.190 40.727 40.800 0.195 0.000 0.928 159 D HN 0.499 nan 8.370 nan 0.000 0.458 160 Q N -0.297 119.579 119.800 0.126 0.000 2.049 160 Q HA -0.010 4.330 4.340 -0.000 0.000 0.198 160 Q C 2.522 178.604 176.000 0.136 0.000 0.971 160 Q CA 0.653 56.544 55.803 0.147 0.000 0.833 160 Q CB 0.014 28.820 28.738 0.113 0.000 0.896 160 Q HN 0.363 nan 8.270 nan 0.000 0.434 161 I N 0.674 121.295 120.570 0.086 0.000 2.423 161 I HA -0.280 3.890 4.170 -0.000 0.000 0.254 161 I C 2.604 178.854 176.117 0.221 0.000 1.151 161 I CA 1.061 62.427 61.300 0.109 0.000 1.421 161 I CB -0.339 37.663 38.000 0.004 0.000 1.079 161 I HN 0.184 nan 8.210 nan 0.000 0.431 162 R N 1.011 121.573 120.500 0.104 0.000 2.054 162 R HA -0.141 4.199 4.340 -0.000 0.000 0.223 162 R C 2.492 178.770 176.300 -0.036 0.000 1.176 162 R CA 1.520 57.637 56.100 0.029 0.000 0.934 162 R CB -0.609 29.501 30.300 -0.316 0.000 0.828 162 R HN 0.190 nan 8.270 nan 0.000 0.441 163 Y N 0.938 121.295 120.300 0.094 0.000 2.274 163 Y HA -0.230 4.320 4.550 -0.000 0.000 0.290 163 Y C 2.252 178.181 175.900 0.049 0.000 1.145 163 Y CA 0.638 58.771 58.100 0.056 0.000 1.203 163 Y CB -0.196 38.292 38.460 0.047 0.000 0.984 163 Y HN 0.234 nan 8.280 nan 0.000 0.533 164 L N 1.989 123.346 121.223 0.223 0.000 1.955 164 L HA -0.148 4.192 4.340 -0.000 0.000 0.213 164 L C -0.581 176.373 176.870 0.141 0.000 1.072 164 L CA 1.980 56.925 54.840 0.175 0.000 0.755 164 L CB -1.847 40.335 42.059 0.207 0.000 0.888 164 L HN -0.030 nan 8.230 nan 0.000 0.432 165 P HA -0.203 nan 4.420 nan 0.000 0.220 165 P C 1.021 178.249 177.300 -0.119 0.000 1.144 165 P CA 1.404 64.561 63.100 0.095 0.000 0.800 165 P CB -0.134 31.695 31.700 0.214 0.000 0.772 166 Q N -0.710 119.047 119.800 -0.071 0.000 2.269 166 Q HA 0.049 4.389 4.340 -0.000 0.000 0.201 166 Q C 2.309 178.328 176.000 0.031 0.000 0.946 166 Q CA 0.530 56.272 55.803 -0.103 0.000 0.877 166 Q CB -0.834 27.911 28.738 0.011 0.000 0.963 166 Q HN 0.355 nan 8.270 nan 0.000 0.472 167 L N 0.531 121.806 121.223 0.087 0.000 2.068 167 L HA -0.093 4.247 4.340 -0.000 0.000 0.204 167 L C 2.409 179.451 176.870 0.287 0.000 1.076 167 L CA 1.530 56.452 54.840 0.137 0.000 0.753 167 L CB -0.327 41.654 42.059 -0.129 0.000 0.910 167 L HN 0.329 nan 8.230 nan 0.000 0.439 168 C N -0.632 118.760 119.300 0.155 0.000 2.443 168 C HA 0.010 4.469 4.460 -0.000 0.000 0.290 168 C C 2.392 177.344 174.990 -0.064 0.000 1.476 168 C CA -0.012 59.062 59.018 0.093 0.000 1.772 168 C CB -1.717 26.128 27.740 0.174 0.000 1.714 168 C HN 0.486 nan 8.230 nan 0.000 0.562 169 R N -0.125 120.355 120.500 -0.032 0.000 2.313 169 R HA 0.055 4.394 4.340 -0.000 0.000 0.199 169 R C 1.671 178.022 176.300 0.084 0.000 0.958 169 R CA 0.727 56.808 56.100 -0.031 0.000 1.047 169 R CB -0.346 29.746 30.300 -0.346 0.000 0.955 169 R HN 0.924 nan 8.270 nan 0.000 0.481 170 Y N -1.394 119.095 120.300 0.315 0.000 2.556 170 Y HA -0.091 4.459 4.550 -0.000 0.000 0.290 170 Y C 1.352 177.461 175.900 0.350 0.000 1.149 170 Y CA 0.517 58.845 58.100 0.379 0.000 1.329 170 Y CB -0.608 38.165 38.460 0.522 0.000 0.975 170 Y HN -0.021 nan 8.280 nan 0.000 0.561 171 L N 0.462 121.585 121.223 -0.167 0.000 2.551 171 L HA -0.084 4.256 4.340 -0.000 0.000 0.228 171 L C 2.006 179.013 176.870 0.228 0.000 1.153 171 L CA 0.945 55.801 54.840 0.026 0.000 0.851 171 L CB -0.388 41.475 42.059 -0.326 0.000 0.959 171 L HN 0.350 nan 8.230 nan 0.000 0.451 172 E N -0.131 120.217 120.200 0.247 0.000 2.152 172 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 172 E C 1.742 178.465 176.600 0.205 0.000 0.983 172 E CA 0.564 57.122 56.400 0.263 0.000 0.818 172 E CB 0.170 30.007 29.700 0.228 0.000 0.758 172 E HN 0.313 nan 8.360 nan 0.000 0.467 173 L N -0.793 120.527 121.223 0.161 0.000 2.610 173 L HA -0.064 4.276 4.340 -0.000 0.000 0.232 173 L C 1.297 178.080 176.870 -0.144 0.000 1.149 173 L CA 1.052 55.906 54.840 0.023 0.000 0.872 173 L CB -1.003 41.039 42.059 -0.029 0.000 0.992 173 L HN 0.305 nan 8.230 nan 0.000 0.447 174 W N -0.567 120.652 121.300 -0.135 0.000 2.576 174 W HA 0.012 4.672 4.660 -0.000 0.000 0.275 174 W C 2.126 178.411 176.519 -0.390 0.000 1.241 174 W CA 0.683 57.828 57.345 -0.334 0.000 1.328 174 W CB 0.270 29.409 29.460 -0.535 0.000 1.092 174 W HN 0.233 nan 8.180 nan 0.000 0.586 175 H N -1.531 117.691 119.070 0.252 0.000 2.923 175 H HA 0.287 4.843 4.556 -0.000 0.000 0.268 175 H C 1.544 176.891 175.328 0.031 0.000 1.148 175 H CA 0.548 56.695 56.048 0.166 0.000 1.146 175 H CB 0.250 30.031 29.762 0.032 0.000 1.607 175 H HN 0.036 nan 8.280 nan 0.000 0.566 176 G N 1.974 110.857 108.800 0.139 0.000 2.393 176 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.299 176 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.299 176 G C -0.549 174.414 174.900 0.105 0.000 0.990 176 G CA 0.312 45.461 45.100 0.081 0.000 1.118 176 G HN 0.226 nan 8.290 nan 0.000 0.513 177 L N -0.367 120.959 121.223 0.172 0.000 2.482 177 L HA 0.579 4.919 4.340 -0.000 0.000 0.263 177 L C -0.152 176.848 176.870 0.217 0.000 0.957 177 L CA -1.117 53.831 54.840 0.181 0.000 0.836 177 L CB 2.025 44.201 42.059 0.194 0.000 1.324 177 L HN 0.240 nan 8.230 nan 0.000 0.406 178 D N 2.161 122.679 120.400 0.198 0.000 2.423 178 D HA -0.024 4.615 4.640 -0.000 0.000 0.238 178 D C 0.893 177.429 176.300 0.394 0.000 1.142 178 D CA 0.201 54.363 54.000 0.270 0.000 0.884 178 D CB 0.676 41.602 40.800 0.211 0.000 1.199 178 D HN 0.490 nan 8.370 nan 0.000 0.438 179 W N 3.630 125.029 121.300 0.165 0.000 2.538 179 W HA -0.024 4.636 4.660 -0.000 0.000 0.254 179 W C 0.633 177.276 176.519 0.207 0.000 1.249 179 W CA 0.400 57.907 57.345 0.271 0.000 1.253 179 W CB -0.852 28.730 29.460 0.204 0.000 1.130 179 W HN 0.387 nan 8.180 nan 0.000 0.618 180 K N 0.310 120.745 120.400 0.058 0.000 2.356 180 K HA 0.151 4.470 4.320 -0.000 0.000 0.195 180 K C 1.739 178.288 176.600 -0.084 0.000 1.037 180 K CA 0.364 56.553 56.287 -0.163 0.000 1.014 180 K CB 0.082 32.354 32.500 -0.381 0.000 0.815 180 K HN 0.183 nan 8.250 nan 0.000 0.507 181 L N 0.862 122.049 121.223 -0.061 0.000 2.640 181 L HA 0.181 4.521 4.340 -0.000 0.000 0.230 181 L C 0.007 176.760 176.870 -0.195 0.000 1.123 181 L CA -0.300 54.390 54.840 -0.250 0.000 0.900 181 L CB 0.383 42.255 42.059 -0.312 0.000 1.146 181 L HN 0.052 nan 8.230 nan 0.000 0.484 182 L N 0.213 121.454 121.223 0.031 0.000 2.309 182 L HA 0.420 4.760 4.340 -0.000 0.000 0.282 182 L C 0.602 177.515 176.870 0.071 0.000 1.036 182 L CA -0.293 54.591 54.840 0.074 0.000 0.806 182 L CB 1.570 43.688 42.059 0.098 0.000 1.220 182 L HN 0.070 nan 8.230 nan 0.000 0.429 183 S N 3.437 119.146 115.700 0.015 0.000 2.585 183 S HA 0.529 4.998 4.470 -0.000 0.000 0.273 183 S C 0.911 175.508 174.600 -0.006 0.000 1.339 183 S CA -0.058 58.146 58.200 0.007 0.000 1.028 183 S CB 1.271 64.447 63.200 -0.039 0.000 0.906 183 S HN 0.931 nan 8.310 nan 0.000 0.528 184 A N 1.784 124.666 122.820 0.103 0.000 1.911 184 A HA 0.186 4.506 4.320 -0.000 0.000 0.212 184 A C 1.911 179.608 177.584 0.188 0.000 1.189 184 A CA 0.732 52.924 52.037 0.258 0.000 0.639 184 A CB -0.675 18.629 19.000 0.507 0.000 0.839 184 A HN 0.885 nan 8.150 nan 0.000 0.449 185 K N -0.272 120.014 120.400 -0.190 0.000 2.633 185 K HA -0.140 4.180 4.320 -0.000 0.000 0.193 185 K C 0.695 177.128 176.600 -0.278 0.000 1.033 185 K CA 1.298 57.204 56.287 -0.635 0.000 0.980 185 K CB -0.015 31.851 32.500 -1.057 0.000 0.800 185 K HN 0.552 nan 8.250 nan 0.000 0.493 186 D N -1.823 118.453 120.400 -0.206 0.000 2.490 186 D HA 0.018 4.658 4.640 -0.000 0.000 0.246 186 D C 0.622 176.626 176.300 -0.493 0.000 1.196 186 D CA 0.234 54.064 54.000 -0.284 0.000 0.812 186 D CB 0.567 41.181 40.800 -0.310 0.000 1.191 186 D HN 0.021 nan 8.370 nan 0.000 0.531 187 T N -0.387 113.882 114.554 -0.475 0.000 2.951 187 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 187 T C 0.403 174.683 174.700 -0.699 0.000 1.073 187 T CA 0.806 62.446 62.100 -0.766 0.000 1.134 187 T CB -0.104 68.085 68.868 -1.131 0.000 0.884 187 T HN 0.170 nan 8.240 nan 0.000 0.479 188 Y N 2.424 122.656 120.300 -0.115 0.000 2.850 188 Y HA 0.376 4.926 4.550 -0.000 0.000 0.360 188 Y C 0.050 176.081 175.900 0.219 0.000 1.174 188 Y CA -2.029 56.113 58.100 0.071 0.000 1.373 188 Y CB -0.754 37.772 38.460 0.110 0.000 1.487 188 Y HN 0.240 nan 8.280 nan 0.000 0.553 189 F N -1.123 118.791 119.950 -0.059 0.000 2.385 189 F HA 0.814 5.341 4.527 -0.000 0.000 0.336 189 F C 0.873 176.546 175.800 -0.212 0.000 1.100 189 F CA -1.630 56.310 58.000 -0.100 0.000 1.116 189 F CB 0.866 39.772 39.000 -0.158 0.000 1.166 189 F HN 0.330 nan 8.300 nan 0.000 0.511 190 G N 1.681 110.409 108.800 -0.119 0.000 2.630 190 G HA2 0.139 4.099 3.960 -0.000 0.000 0.236 190 G HA3 0.139 4.099 3.960 -0.000 0.000 0.236 190 G C -1.090 173.446 174.900 -0.607 0.000 1.248 190 G CA -0.378 44.573 45.100 -0.249 0.000 0.844 190 G HN 0.863 nan 8.290 nan 0.000 0.588 191 H N 0.692 119.586 119.070 -0.292 0.000 2.970 191 H HA 0.211 4.766 4.556 -0.000 0.000 0.315 191 H C -0.150 175.090 175.328 -0.148 0.000 0.992 191 H CA -0.354 55.511 56.048 -0.304 0.000 1.363 191 H CB 1.487 31.024 29.762 -0.376 0.000 1.532 191 H HN 0.527 nan 8.280 nan 0.000 0.514 192 Q N 2.511 122.307 119.800 -0.006 0.000 2.962 192 Q HA 0.341 4.681 4.340 -0.000 0.000 0.251 192 Q C 0.751 176.765 176.000 0.023 0.000 1.380 192 Q CA 0.325 56.130 55.803 0.003 0.000 0.926 192 Q CB 0.204 28.937 28.738 -0.009 0.000 1.704 192 Q HN 0.965 nan 8.270 nan 0.000 0.563 193 G N 0.691 109.509 108.800 0.029 0.000 2.631 193 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.504 193 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.504 193 G C -0.643 174.286 174.900 0.049 0.000 1.306 193 G CA -1.113 44.006 45.100 0.031 0.000 0.897 193 G HN 0.499 nan 8.290 nan 0.000 0.520 194 R N -0.074 120.475 120.500 0.081 0.000 2.896 194 R HA 0.423 4.762 4.340 -0.000 0.000 0.283 194 R C 0.229 176.589 176.300 0.100 0.000 1.201 194 R CA 0.271 56.454 56.100 0.139 0.000 1.178 194 R CB 0.063 30.529 30.300 0.277 0.000 1.152 194 R HN 0.646 nan 8.270 nan 0.000 0.590 195 N N -1.296 117.470 118.700 0.110 0.000 2.292 195 N HA 0.510 5.249 4.740 -0.000 0.000 0.303 195 N C -1.638 173.815 175.510 -0.095 0.000 1.140 195 N CA -0.655 52.409 53.050 0.023 0.000 0.788 195 N CB 2.213 40.739 38.487 0.066 0.000 1.361 195 N HN 0.601 nan 8.380 nan 0.000 0.489 196 A N 0.992 123.679 122.820 -0.222 0.000 2.311 196 A HA 0.469 4.789 4.320 -0.000 0.000 0.306 196 A C -1.256 176.365 177.584 0.062 0.000 1.189 196 A CA -0.578 51.254 52.037 -0.342 0.000 0.791 196 A CB -0.041 18.458 19.000 -0.836 0.000 1.172 196 A HN 0.643 nan 8.150 nan 0.000 0.481 197 F N 3.323 123.292 119.950 0.033 0.000 2.543 197 F HA 0.422 4.949 4.527 -0.000 0.000 0.375 197 F C 0.841 176.507 175.800 -0.222 0.000 1.075 197 F CA -0.093 57.770 58.000 -0.229 0.000 1.225 197 F CB 0.687 39.587 39.000 -0.167 0.000 1.099 197 F HN 0.714 nan 8.300 nan 0.000 0.561 198 A N 7.785 130.076 122.820 -0.882 0.000 2.396 198 A HA 0.329 4.649 4.320 -0.000 0.000 0.279 198 A C -0.177 177.090 177.584 -0.529 0.000 1.165 198 A CA -0.538 51.075 52.037 -0.706 0.000 0.824 198 A CB -0.369 17.885 19.000 -1.243 0.000 1.100 198 A HN 0.861 nan 8.150 nan 0.000 0.516 199 L N 4.048 125.157 121.223 -0.191 0.000 2.391 199 L HA 0.164 4.504 4.340 -0.000 0.000 0.249 199 L C -0.354 176.440 176.870 -0.127 0.000 1.308 199 L CA -0.117 54.662 54.840 -0.101 0.000 1.209 199 L CB -1.124 40.920 42.059 -0.026 0.000 1.401 199 L HN 0.787 nan 8.230 nan 0.000 0.416 200 N N 0.582 119.174 118.700 -0.179 0.000 3.433 200 N HA -0.180 4.560 4.740 -0.000 0.000 0.258 200 N C -0.147 175.300 175.510 -0.105 0.000 1.729 200 N CA 0.248 53.233 53.050 -0.110 0.000 1.869 200 N CB -0.863 37.584 38.487 -0.066 0.000 0.789 200 N HN 0.342 nan 8.380 nan 0.000 0.499 201 Y N 0.980 121.188 120.300 -0.154 0.000 2.561 201 Y HA -0.078 4.471 4.550 -0.000 0.000 0.291 201 Y C 2.103 177.974 175.900 -0.048 0.000 1.141 201 Y CA 1.030 59.056 58.100 -0.123 0.000 1.303 201 Y CB 0.390 38.748 38.460 -0.169 0.000 1.015 201 Y HN 0.512 nan 8.280 nan 0.000 0.547 202 D N -1.831 118.639 120.400 0.115 0.000 2.312 202 D HA -0.110 4.530 4.640 -0.000 0.000 0.211 202 D C 1.682 178.017 176.300 0.057 0.000 0.964 202 D CA 0.934 54.984 54.000 0.083 0.000 0.877 202 D CB -0.371 40.460 40.800 0.052 0.000 0.924 202 D HN 0.125 nan 8.370 nan 0.000 0.515 203 S N -0.144 115.576 115.700 0.034 0.000 2.436 203 S HA -0.018 4.452 4.470 -0.000 0.000 0.228 203 S C 2.181 176.804 174.600 0.039 0.000 1.014 203 S CA 0.326 58.535 58.200 0.015 0.000 0.950 203 S CB 0.057 63.249 63.200 -0.014 0.000 0.784 203 S HN 0.175 nan 8.310 nan 0.000 0.504 204 V N 1.400 121.358 119.914 0.074 0.000 2.283 204 V HA -0.112 4.008 4.120 -0.000 0.000 0.243 204 V C 2.334 178.510 176.094 0.138 0.000 1.039 204 V CA 1.350 63.717 62.300 0.112 0.000 1.016 204 V CB -0.773 31.168 31.823 0.196 0.000 0.650 204 V HN 0.321 nan 8.190 nan 0.000 0.449 205 V N -0.280 119.724 119.914 0.151 0.000 2.287 205 V HA -0.358 3.762 4.120 -0.000 0.000 0.248 205 V C 2.505 178.648 176.094 0.083 0.000 1.053 205 V CA 2.238 64.616 62.300 0.130 0.000 1.027 205 V CB -0.795 31.095 31.823 0.110 0.000 0.646 205 V HN 0.581 nan 8.190 nan 0.000 0.447 206 Q N -0.538 119.294 119.800 0.052 0.000 2.096 206 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 206 Q C 2.475 178.476 176.000 0.000 0.000 0.982 206 Q CA 2.048 57.858 55.803 0.010 0.000 0.850 206 Q CB -0.288 28.450 28.738 0.001 0.000 0.901 206 Q HN 0.579 nan 8.270 nan 0.000 0.422 207 R N 0.764 121.281 120.500 0.028 0.000 2.094 207 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 207 R C 2.147 178.476 176.300 0.049 0.000 1.137 207 R CA 1.663 57.782 56.100 0.032 0.000 0.943 207 R CB -0.304 30.027 30.300 0.051 0.000 0.850 207 R HN 0.219 nan 8.270 nan 0.000 0.433 208 I N 0.626 121.261 120.570 0.109 0.000 2.179 208 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 208 I C 2.549 178.709 176.117 0.071 0.000 1.088 208 I CA 1.337 62.736 61.300 0.165 0.000 1.357 208 I CB -0.452 37.710 38.000 0.270 0.000 1.051 208 I HN 0.348 nan 8.210 nan 0.000 0.409 209 A N -0.122 122.693 122.820 -0.008 0.000 2.070 209 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 209 A C 1.989 179.230 177.584 -0.572 0.000 1.159 209 A CA 1.293 53.180 52.037 -0.249 0.000 0.656 209 A CB -0.475 18.459 19.000 -0.109 0.000 0.800 209 A HN 0.539 nan 8.150 nan 0.000 0.453 210 Q N -0.196 119.417 119.800 -0.311 0.000 2.212 210 Q HA 0.095 4.435 4.340 -0.000 0.000 0.213 210 Q C 0.799 176.650 176.000 -0.249 0.000 0.874 210 Q CA 0.427 56.049 55.803 -0.301 0.000 0.965 210 Q CB 0.193 28.835 28.738 -0.160 0.000 1.074 210 Q HN 0.682 nan 8.270 nan 0.000 0.473 211 S N -0.382 115.173 115.700 -0.241 0.000 2.601 211 S HA 0.315 4.785 4.470 -0.000 0.000 0.244 211 S C -0.160 174.470 174.600 0.049 0.000 1.001 211 S CA -0.758 57.421 58.200 -0.034 0.000 0.984 211 S CB -0.190 63.071 63.200 0.102 0.000 0.842 211 S HN 0.314 nan 8.310 nan 0.000 0.474 212 F N -2.419 117.371 119.950 -0.268 0.000 2.713 212 F HA 0.774 5.301 4.527 -0.000 0.000 0.311 212 F C -3.523 171.790 175.800 -0.813 0.000 1.141 212 F CA -2.675 54.891 58.000 -0.723 0.000 0.939 212 F CB -0.230 38.461 39.000 -0.515 0.000 1.325 212 F HN -0.259 nan 8.300 nan 0.000 0.453 213 P HA 0.090 nan 4.420 nan 0.000 0.258 213 P C 0.218 177.319 177.300 -0.332 0.000 1.187 213 P CA 0.488 63.168 63.100 -0.701 0.000 0.767 213 P CB 0.712 31.799 31.700 -1.022 0.000 0.770 214 Q N 3.070 122.732 119.800 -0.231 0.000 2.096 214 Q HA -0.272 4.068 4.340 -0.000 0.000 0.208 214 Q C 1.846 177.885 176.000 0.064 0.000 0.993 214 Q CA 1.931 57.672 55.803 -0.104 0.000 0.862 214 Q CB -0.428 28.250 28.738 -0.101 0.000 0.915 214 Q HN 0.594 nan 8.270 nan 0.000 0.416 215 N N -0.147 118.596 118.700 0.072 0.000 2.405 215 N HA -0.216 4.523 4.740 -0.000 0.000 0.189 215 N C 0.943 176.656 175.510 0.338 0.000 1.021 215 N CA 1.255 54.410 53.050 0.174 0.000 0.891 215 N CB -0.545 38.042 38.487 0.166 0.000 0.955 215 N HN 0.371 nan 8.380 nan 0.000 0.443 216 W N 0.722 122.090 121.300 0.113 0.000 2.436 216 W HA 0.237 4.897 4.660 -0.000 0.000 0.284 216 W C 0.697 177.270 176.519 0.089 0.000 1.225 216 W CA -0.471 56.924 57.345 0.084 0.000 1.271 216 W CB -0.912 28.586 29.460 0.064 0.000 1.114 216 W HN 0.033 nan 8.180 nan 0.000 0.559 217 L N 2.203 123.668 121.223 0.403 0.000 2.361 217 L HA 0.166 4.505 4.340 -0.000 0.000 0.278 217 L C 0.137 177.090 176.870 0.138 0.000 1.113 217 L CA 0.221 55.218 54.840 0.261 0.000 0.849 217 L CB 0.224 42.426 42.059 0.239 0.000 1.155 217 L HN -0.236 nan 8.230 nan 0.000 0.452 218 K N 6.699 127.146 120.400 0.078 0.000 2.575 218 K HA 0.357 4.677 4.320 -0.000 0.000 0.236 218 K C -1.242 175.374 176.600 0.027 0.000 0.976 218 K CA -0.542 55.773 56.287 0.047 0.000 0.985 218 K CB 0.566 33.075 32.500 0.016 0.000 1.198 218 K HN 0.671 nan 8.250 nan 0.000 0.464 219 L N 1.993 123.236 121.223 0.032 0.000 2.395 219 L HA 0.173 4.513 4.340 -0.000 0.000 0.269 219 L C 0.449 177.322 176.870 0.004 0.000 1.133 219 L CA -0.187 54.660 54.840 0.012 0.000 0.812 219 L CB 1.115 43.184 42.059 0.016 0.000 1.125 219 L HN 0.761 nan 8.230 nan 0.000 0.452 220 S N 0.469 116.156 115.700 -0.023 0.000 3.766 220 S HA -0.181 4.289 4.470 -0.000 0.000 0.416 220 S C -0.439 174.166 174.600 0.009 0.000 0.902 220 S CA 0.049 58.239 58.200 -0.016 0.000 1.283 220 S CB -1.010 62.196 63.200 0.010 0.000 0.891 220 S HN 0.711 nan 8.310 nan 0.000 0.556 221 c N 2.238 120.834 118.600 -0.006 0.000 2.801 221 c HA 0.347 4.917 4.570 -0.000 0.000 0.296 221 c C 0.281 174.381 174.090 0.017 0.000 1.054 221 c CA -0.607 55.737 56.329 0.025 0.000 1.442 221 c CB 0.356 42.879 42.510 0.021 0.000 1.860 221 c HN 0.755 nan 8.230 nan 0.000 0.459 222 E N 3.750 123.983 120.200 0.054 0.000 1.932 222 E HA 0.242 4.592 4.350 -0.000 0.000 0.275 222 E C -0.273 176.369 176.600 0.070 0.000 1.159 222 E CA -0.112 56.343 56.400 0.092 0.000 0.905 222 E CB 0.639 30.444 29.700 0.175 0.000 1.059 222 E HN 0.578 nan 8.360 nan 0.000 0.400 223 V N 6.531 126.470 119.914 0.043 0.000 2.458 223 V HA -0.080 4.039 4.120 -0.000 0.000 0.287 223 V C 1.264 177.363 176.094 0.008 0.000 1.009 223 V CA 0.698 63.007 62.300 0.014 0.000 1.091 223 V CB 0.555 32.366 31.823 -0.019 0.000 0.960 223 V HN 0.704 nan 8.190 nan 0.000 0.476 224 K N 2.602 123.000 120.400 -0.004 0.000 2.334 224 K HA 0.155 4.474 4.320 -0.000 0.000 0.195 224 K C 0.599 177.158 176.600 -0.070 0.000 1.045 224 K CA 0.591 56.869 56.287 -0.015 0.000 1.004 224 K CB 0.669 33.170 32.500 0.003 0.000 0.837 224 K HN 0.793 nan 8.250 nan 0.000 0.510 225 S N 0.055 115.695 115.700 -0.100 0.000 2.550 225 S HA 0.639 5.108 4.470 -0.000 0.000 0.270 225 S C -0.801 173.680 174.600 -0.199 0.000 1.145 225 S CA -0.989 57.113 58.200 -0.164 0.000 0.852 225 S CB 1.784 64.925 63.200 -0.099 0.000 1.119 225 S HN 0.052 nan 8.310 nan 0.000 0.465 226 I N 1.089 121.481 120.570 -0.296 0.000 2.722 226 I HA 0.556 4.726 4.170 -0.000 0.000 0.295 226 I C -1.114 174.910 176.117 -0.155 0.000 1.161 226 I CA -0.481 60.670 61.300 -0.249 0.000 1.032 226 I CB 2.884 40.651 38.000 -0.389 0.000 1.244 226 I HN 0.785 nan 8.210 nan 0.000 0.421 227 T N 4.032 118.545 114.554 -0.068 0.000 2.921 227 T HA 0.442 4.792 4.350 -0.000 0.000 0.297 227 T C -0.361 174.338 174.700 -0.002 0.000 1.013 227 T CA -0.866 61.224 62.100 -0.016 0.000 0.990 227 T CB 1.654 70.509 68.868 -0.021 0.000 1.023 227 T HN 0.424 nan 8.240 nan 0.000 0.447 228 R N 1.471 121.987 120.500 0.026 0.000 2.679 228 R HA 0.303 4.643 4.340 -0.000 0.000 0.268 228 R C 0.202 176.496 176.300 -0.010 0.000 1.044 228 R CA -0.423 55.684 56.100 0.011 0.000 1.105 228 R CB 0.520 30.836 30.300 0.028 0.000 0.989 228 R HN 0.558 nan 8.270 nan 0.000 0.447 229 E N 2.694 122.876 120.200 -0.029 0.000 2.231 229 E HA 0.171 4.520 4.350 -0.000 0.000 0.277 229 E C -1.899 174.684 176.600 -0.029 0.000 0.999 229 E CA -2.101 54.278 56.400 -0.034 0.000 0.827 229 E CB 1.326 30.994 29.700 -0.053 0.000 1.101 229 E HN 0.202 nan 8.360 nan 0.000 0.393 230 P HA -0.071 nan 4.420 nan 0.000 0.219 230 P C 0.157 177.442 177.300 -0.024 0.000 1.146 230 P CA 1.041 64.130 63.100 -0.019 0.000 0.808 230 P CB 0.392 32.082 31.700 -0.016 0.000 0.779 231 S N -2.111 113.569 115.700 -0.033 0.000 2.557 231 S HA 0.183 4.653 4.470 -0.000 0.000 0.223 231 S C 0.667 175.232 174.600 -0.058 0.000 0.969 231 S CA -0.088 58.088 58.200 -0.040 0.000 0.927 231 S CB -0.184 62.992 63.200 -0.040 0.000 0.806 231 S HN 0.089 nan 8.310 nan 0.000 0.489 232 K N 0.068 120.431 120.400 -0.062 0.000 5.709 232 K HA -0.140 4.180 4.320 -0.000 0.000 0.463 232 K C -0.561 175.965 176.600 -0.124 0.000 0.351 232 K CA 0.926 57.157 56.287 -0.092 0.000 1.967 232 K CB -1.363 31.067 32.500 -0.116 0.000 0.582 232 K HN 0.222 nan 8.250 nan 0.000 0.657 233 N N 3.450 122.069 118.700 -0.135 0.000 2.202 233 N HA -0.029 4.710 4.740 -0.000 0.000 0.283 233 N C -0.104 175.344 175.510 -0.103 0.000 1.391 233 N CA 0.884 53.851 53.050 -0.140 0.000 0.910 233 N CB -0.057 38.367 38.487 -0.104 0.000 1.267 233 N HN 0.135 nan 8.380 nan 0.000 0.493 234 V N 2.491 122.338 119.914 -0.112 0.000 2.999 234 V HA 0.034 4.154 4.120 -0.000 0.000 0.307 234 V C 1.108 177.171 176.094 -0.053 0.000 1.084 234 V CA 0.068 62.324 62.300 -0.073 0.000 1.155 234 V CB 0.849 32.630 31.823 -0.071 0.000 0.975 234 V HN 0.491 nan 8.190 nan 0.000 0.490 235 T N 3.405 117.935 114.554 -0.040 0.000 2.797 235 T HA 0.582 4.932 4.350 -0.000 0.000 0.279 235 T C -0.463 174.223 174.700 -0.023 0.000 0.991 235 T CA -0.349 61.736 62.100 -0.025 0.000 0.979 235 T CB 1.493 70.344 68.868 -0.029 0.000 0.943 235 T HN 0.433 nan 8.240 nan 0.000 0.444 236 V N 4.489 124.415 119.914 0.019 0.000 2.495 236 V HA 0.512 4.632 4.120 -0.000 0.000 0.298 236 V C -0.469 175.674 176.094 0.082 0.000 1.031 236 V CA -1.060 61.260 62.300 0.033 0.000 0.871 236 V CB 1.743 33.598 31.823 0.054 0.000 0.988 236 V HN 0.801 nan 8.190 nan 0.000 0.432 237 N N 2.536 121.258 118.700 0.036 0.000 2.524 237 N HA 0.361 5.101 4.740 -0.000 0.000 0.261 237 N C -0.504 175.039 175.510 0.054 0.000 0.998 237 N CA -0.299 52.775 53.050 0.040 0.000 0.915 237 N CB 1.643 40.127 38.487 -0.005 0.000 1.187 237 N HN 0.574 nan 8.380 nan 0.000 0.507 238 c N 0.547 119.215 118.600 0.112 0.000 2.639 238 c HA 0.066 4.636 4.570 -0.000 0.000 0.360 238 c C 2.379 176.504 174.090 0.059 0.000 1.351 238 c CA -0.351 56.037 56.329 0.097 0.000 2.408 238 c CB 0.919 43.523 42.510 0.155 0.000 2.517 238 c HN 0.671 nan 8.230 nan 0.000 0.696 239 E N 1.196 121.430 120.200 0.057 0.000 2.110 239 E HA -0.192 4.157 4.350 -0.000 0.000 0.193 239 E C 1.736 178.358 176.600 0.038 0.000 0.988 239 E CA 1.927 58.355 56.400 0.047 0.000 0.804 239 E CB -0.336 29.401 29.700 0.062 0.000 0.745 239 E HN 0.855 nan 8.360 nan 0.000 0.458 240 D N -1.219 119.207 120.400 0.044 0.000 2.309 240 D HA -0.094 4.546 4.640 -0.000 0.000 0.212 240 D C 1.397 177.705 176.300 0.014 0.000 0.968 240 D CA 1.495 55.514 54.000 0.031 0.000 0.882 240 D CB -0.246 40.576 40.800 0.037 0.000 0.918 240 D HN 0.312 nan 8.370 nan 0.000 0.503 241 G N -0.456 108.351 108.800 0.012 0.000 2.201 241 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.212 241 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.212 241 G C 0.440 175.313 174.900 -0.045 0.000 0.994 241 G CA 0.321 45.414 45.100 -0.012 0.000 0.644 241 G HN 0.819 nan 8.290 nan 0.000 0.508 242 T N 0.102 114.622 114.554 -0.057 0.000 2.738 242 T HA 0.558 4.908 4.350 -0.000 0.000 0.293 242 T C 0.313 174.850 174.700 -0.270 0.000 0.913 242 T CA -0.128 61.859 62.100 -0.188 0.000 1.103 242 T CB 1.536 70.267 68.868 -0.229 0.000 0.880 242 T HN 0.765 nan 8.240 nan 0.000 0.526 243 V N 5.745 125.505 119.914 -0.258 0.000 2.432 243 V HA 0.309 4.429 4.120 -0.000 0.000 0.271 243 V C -0.518 175.409 176.094 -0.280 0.000 1.046 243 V CA -0.707 61.488 62.300 -0.174 0.000 0.945 243 V CB -0.451 31.314 31.823 -0.096 0.000 0.992 243 V HN 0.817 nan 8.190 nan 0.000 0.471 244 Y N 4.110 124.382 120.300 -0.047 0.000 2.420 244 Y HA 0.518 5.068 4.550 -0.000 0.000 0.334 244 Y C 0.603 176.466 175.900 -0.062 0.000 1.094 244 Y CA -1.122 56.946 58.100 -0.054 0.000 1.126 244 Y CB 1.395 39.818 38.460 -0.062 0.000 1.217 244 Y HN 0.699 nan 8.280 nan 0.000 0.462 245 N N 1.465 120.215 118.700 0.082 0.000 2.314 245 N HA 0.806 5.546 4.740 -0.000 0.000 0.294 245 N C -1.502 174.005 175.510 -0.004 0.000 1.029 245 N CA -0.683 52.376 53.050 0.013 0.000 0.845 245 N CB 2.388 40.865 38.487 -0.017 0.000 1.321 245 N HN 0.729 nan 8.380 nan 0.000 0.481 246 A N 1.107 123.902 122.820 -0.042 0.000 2.606 246 A HA 0.453 4.773 4.320 -0.000 0.000 0.293 246 A C -0.301 177.207 177.584 -0.127 0.000 1.082 246 A CA -0.643 51.350 52.037 -0.072 0.000 0.685 246 A CB 1.215 20.171 19.000 -0.073 0.000 1.284 246 A HN 0.510 nan 8.150 nan 0.000 0.408 247 D N -0.216 120.084 120.400 -0.167 0.000 2.084 247 D HA 0.027 4.667 4.640 -0.000 0.000 0.196 247 D C -0.274 175.678 176.300 -0.580 0.000 0.985 247 D CA 2.341 56.112 54.000 -0.382 0.000 0.826 247 D CB -0.148 40.435 40.800 -0.362 0.000 0.978 247 D HN 0.536 nan 8.370 nan 0.000 0.456 248 Y N -0.986 119.269 120.300 -0.074 0.000 2.462 248 Y HA 0.524 5.074 4.550 -0.000 0.000 0.346 248 Y C -0.348 175.490 175.900 -0.103 0.000 0.976 248 Y CA -1.065 56.987 58.100 -0.080 0.000 1.044 248 Y CB 2.287 40.700 38.460 -0.078 0.000 1.230 248 Y HN -0.408 nan 8.280 nan 0.000 0.455 249 V N 4.873 124.814 119.914 0.045 0.000 2.407 249 V HA 0.372 4.492 4.120 -0.000 0.000 0.291 249 V C -0.388 175.658 176.094 -0.080 0.000 1.018 249 V CA -0.754 61.523 62.300 -0.040 0.000 0.842 249 V CB 1.353 33.139 31.823 -0.062 0.000 0.996 249 V HN 0.615 nan 8.190 nan 0.000 0.426 250 I N 6.522 127.040 120.570 -0.087 0.000 2.287 250 I HA 0.376 4.546 4.170 -0.000 0.000 0.290 250 I C -0.170 175.894 176.117 -0.088 0.000 1.069 250 I CA -0.114 61.126 61.300 -0.100 0.000 1.237 250 I CB 0.765 38.719 38.000 -0.076 0.000 1.418 250 I HN 0.433 nan 8.210 nan 0.000 0.481 251 I N 5.934 126.417 120.570 -0.144 0.000 2.352 251 I HA 0.087 4.257 4.170 -0.000 0.000 0.290 251 I C 1.136 177.340 176.117 0.145 0.000 1.036 251 I CA 0.100 61.396 61.300 -0.008 0.000 1.336 251 I CB 1.117 39.118 38.000 0.002 0.000 1.407 251 I HN 0.580 nan 8.210 nan 0.000 0.497 252 T N 3.117 117.763 114.554 0.154 0.000 3.266 252 T HA 0.249 4.599 4.350 -0.000 0.000 0.278 252 T C 0.146 174.988 174.700 0.237 0.000 1.010 252 T CA -0.511 61.704 62.100 0.192 0.000 0.909 252 T CB -0.455 68.481 68.868 0.113 0.000 1.122 252 T HN 0.341 nan 8.240 nan 0.000 0.536 253 V N -0.924 119.153 119.914 0.272 0.000 3.051 253 V HA 0.576 4.695 4.120 -0.000 0.000 0.306 253 V C -2.659 173.595 176.094 0.268 0.000 1.083 253 V CA -2.272 60.173 62.300 0.243 0.000 1.104 253 V CB -0.007 31.955 31.823 0.232 0.000 1.027 253 V HN 0.074 nan 8.190 nan 0.000 0.483 254 P HA 0.079 nan 4.420 nan 0.000 0.269 254 P C 0.681 177.887 177.300 -0.156 0.000 1.209 254 P CA 0.139 63.293 63.100 0.091 0.000 0.776 254 P CB 0.443 32.206 31.700 0.104 0.000 0.876 255 Q N 2.549 122.013 119.800 -0.559 0.000 2.062 255 Q HA -0.269 4.070 4.340 -0.000 0.000 0.209 255 Q C 1.762 177.511 176.000 -0.419 0.000 0.996 255 Q CA 2.927 58.305 55.803 -0.708 0.000 0.859 255 Q CB -0.509 27.833 28.738 -0.660 0.000 0.920 255 Q HN 0.574 nan 8.270 nan 0.000 0.415 256 S N -0.567 114.803 115.700 -0.550 0.000 2.374 256 S HA -0.168 4.302 4.470 -0.000 0.000 0.227 256 S C 1.953 176.379 174.600 -0.290 0.000 1.037 256 S CA 1.659 59.460 58.200 -0.665 0.000 1.024 256 S CB -0.835 61.630 63.200 -1.226 0.000 0.861 256 S HN 0.298 nan 8.310 nan 0.000 0.456 257 V N 1.470 121.283 119.914 -0.169 0.000 2.453 257 V HA 0.007 4.127 4.120 -0.000 0.000 0.247 257 V C 2.393 178.534 176.094 0.079 0.000 1.048 257 V CA 1.417 63.706 62.300 -0.017 0.000 1.049 257 V CB -0.762 31.098 31.823 0.061 0.000 0.672 257 V HN 0.440 nan 8.190 nan 0.000 0.457 258 L N 0.914 122.202 121.223 0.108 0.000 2.141 258 L HA -0.111 4.228 4.340 -0.000 0.000 0.209 258 L C 2.243 179.271 176.870 0.264 0.000 1.094 258 L CA 1.793 56.775 54.840 0.236 0.000 0.763 258 L CB -0.978 41.236 42.059 0.258 0.000 0.908 258 L HN 0.347 nan 8.230 nan 0.000 0.437 259 N N 0.260 119.132 118.700 0.287 0.000 2.069 259 N HA -0.232 4.508 4.740 -0.000 0.000 0.191 259 N C 1.909 177.511 175.510 0.154 0.000 1.031 259 N CA 1.994 55.285 53.050 0.402 0.000 0.852 259 N CB -0.223 38.367 38.487 0.171 0.000 1.018 259 N HN 0.483 nan 8.380 nan 0.000 0.423 260 L N 0.700 121.974 121.223 0.085 0.000 2.151 260 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 260 L C 2.473 179.383 176.870 0.068 0.000 1.084 260 L CA 1.017 55.889 54.840 0.054 0.000 0.764 260 L CB -0.675 41.407 42.059 0.038 0.000 0.891 260 L HN 0.143 nan 8.230 nan 0.000 0.435 261 S N 0.089 115.854 115.700 0.109 0.000 2.392 261 S HA -0.236 4.234 4.470 -0.000 0.000 0.225 261 S C 2.040 176.671 174.600 0.050 0.000 1.041 261 S CA 1.913 60.188 58.200 0.124 0.000 1.100 261 S CB -0.692 62.641 63.200 0.221 0.000 1.029 261 S HN 0.456 nan 8.310 nan 0.000 0.424 262 V N 0.793 120.696 119.914 -0.018 0.000 2.370 262 V HA -0.232 3.887 4.120 -0.000 0.000 0.252 262 V C 0.853 176.937 176.094 -0.017 0.000 1.068 262 V CA 1.378 63.643 62.300 -0.058 0.000 1.061 262 V CB -1.319 30.416 31.823 -0.145 0.000 0.656 262 V HN 0.471 nan 8.190 nan 0.000 0.455 263 Q N 2.376 122.179 119.800 0.004 0.000 2.386 263 Q HA 0.227 4.567 4.340 -0.000 0.000 0.282 263 Q C -2.056 173.951 176.000 0.012 0.000 1.050 263 Q CA -1.011 54.798 55.803 0.010 0.000 0.918 263 Q CB -0.002 28.746 28.738 0.017 0.000 1.266 263 Q HN 0.487 nan 8.270 nan 0.000 0.423 264 P HA 0.047 nan 4.420 nan 0.000 0.276 264 P C -1.033 176.273 177.300 0.010 0.000 1.252 264 P CA -0.074 63.032 63.100 0.009 0.000 0.802 264 P CB 0.822 32.526 31.700 0.007 0.000 1.035 265 E N -0.820 119.386 120.200 0.009 0.000 8.078 265 E HA -0.136 4.214 4.350 -0.000 0.000 0.466 265 E C -0.365 176.240 176.600 0.009 0.000 0.790 265 E CA 0.216 56.620 56.400 0.007 0.000 1.391 265 E CB -0.848 28.855 29.700 0.005 0.000 0.986 265 E HN 0.516 nan 8.360 nan 0.000 0.262 266 K N 1.291 121.695 120.400 0.007 0.000 2.440 266 K HA 0.087 4.407 4.320 -0.000 0.000 0.206 266 K C 1.216 177.817 176.600 0.002 0.000 1.025 266 K CA -0.244 56.047 56.287 0.007 0.000 1.135 266 K CB 0.114 32.617 32.500 0.006 0.000 0.856 266 K HN 0.315 nan 8.250 nan 0.000 0.502 267 N N 1.562 120.262 118.700 -0.000 0.000 2.109 267 N HA -0.056 4.684 4.740 -0.000 0.000 0.188 267 N C 0.406 175.909 175.510 -0.013 0.000 1.034 267 N CA 0.516 53.563 53.050 -0.006 0.000 0.846 267 N CB 0.068 38.551 38.487 -0.006 0.000 1.010 267 N HN 0.134 nan 8.380 nan 0.000 0.425 268 L N 2.204 123.419 121.223 -0.014 0.000 2.653 268 L HA -0.068 4.271 4.340 -0.000 0.000 0.288 268 L C 1.080 177.928 176.870 -0.036 0.000 1.243 268 L CA 0.090 54.914 54.840 -0.027 0.000 0.906 268 L CB 0.043 42.091 42.059 -0.018 0.000 1.154 268 L HN 0.239 nan 8.230 nan 0.000 0.498 269 R N 2.225 122.680 120.500 -0.074 0.000 2.390 269 R HA 0.384 4.723 4.340 -0.000 0.000 0.291 269 R C 0.993 177.210 176.300 -0.138 0.000 1.070 269 R CA 0.721 56.755 56.100 -0.110 0.000 1.014 269 R CB 0.786 30.976 30.300 -0.183 0.000 1.007 269 R HN 0.834 nan 8.270 nan 0.000 0.466 270 G N 3.006 111.782 108.800 -0.040 0.000 2.217 270 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.246 270 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.246 270 G C 0.053 175.011 174.900 0.096 0.000 0.990 270 G CA 0.160 45.312 45.100 0.086 0.000 0.627 270 G HN 0.621 nan 8.290 nan 0.000 0.522 271 R N 1.234 121.763 120.500 0.048 0.000 2.401 271 R HA 0.444 4.784 4.340 -0.000 0.000 0.299 271 R C -0.113 176.221 176.300 0.056 0.000 1.064 271 R CA -0.120 56.016 56.100 0.061 0.000 1.000 271 R CB -0.136 30.187 30.300 0.038 0.000 0.973 271 R HN 0.379 nan 8.270 nan 0.000 0.438 272 I N 3.235 123.853 120.570 0.079 0.000 2.392 272 I HA 0.146 4.316 4.170 -0.000 0.000 0.295 272 I C 0.090 176.192 176.117 -0.025 0.000 0.985 272 I CA -0.717 60.566 61.300 -0.029 0.000 1.221 272 I CB 1.736 39.681 38.000 -0.092 0.000 1.366 272 I HN 0.564 nan 8.210 nan 0.000 0.467 273 E N 6.326 126.449 120.200 -0.129 0.000 2.109 273 E HA 0.380 4.730 4.350 -0.000 0.000 0.278 273 E C -1.589 174.920 176.600 -0.152 0.000 0.954 273 E CA -0.309 56.067 56.400 -0.040 0.000 0.779 273 E CB 0.610 30.296 29.700 -0.023 0.000 1.093 273 E HN 0.230 nan 8.360 nan 0.000 0.401 274 F N 3.261 123.227 119.950 0.028 0.000 2.394 274 F HA 0.424 4.950 4.527 -0.000 0.000 0.340 274 F C 0.202 176.010 175.800 0.014 0.000 1.105 274 F CA -0.468 57.549 58.000 0.027 0.000 1.124 274 F CB 1.659 40.686 39.000 0.046 0.000 1.145 274 F HN 0.388 nan 8.300 nan 0.000 0.505 275 Q N 5.015 124.909 119.800 0.158 0.000 2.337 275 Q HA 0.349 4.689 4.340 -0.000 0.000 0.260 275 Q C -2.605 173.448 176.000 0.088 0.000 0.982 275 Q CA -2.251 53.607 55.803 0.093 0.000 0.734 275 Q CB 2.127 30.887 28.738 0.036 0.000 1.272 275 Q HN 0.172 nan 8.270 nan 0.000 0.461 276 P HA 0.187 nan 4.420 nan 0.000 0.272 276 P C -2.551 174.823 177.300 0.122 0.000 1.240 276 P CA -1.212 61.934 63.100 0.078 0.000 0.791 276 P CB 0.163 31.892 31.700 0.048 0.000 0.978 277 P HA 0.073 nan 4.420 nan 0.000 0.269 277 P C 0.116 177.425 177.300 0.015 0.000 1.215 277 P CA 0.054 63.209 63.100 0.093 0.000 0.780 277 P CB 0.424 32.149 31.700 0.041 0.000 0.898 278 L N 1.974 123.150 121.223 -0.078 0.000 2.640 278 L HA -0.081 4.259 4.340 -0.000 0.000 0.280 278 L C 1.610 178.395 176.870 -0.142 0.000 1.229 278 L CA 0.207 54.921 54.840 -0.211 0.000 0.919 278 L CB -0.707 41.123 42.059 -0.381 0.000 1.168 278 L HN 0.446 nan 8.230 nan 0.000 0.496 279 K N 4.968 125.307 120.400 -0.102 0.000 2.455 279 K HA 0.052 4.371 4.320 -0.000 0.000 0.269 279 K C -1.745 174.789 176.600 -0.110 0.000 0.972 279 K CA -1.068 55.172 56.287 -0.077 0.000 0.938 279 K CB 0.017 32.490 32.500 -0.045 0.000 0.931 279 K HN 0.299 nan 8.250 nan 0.000 0.507 280 P HA -0.266 nan 4.420 nan 0.000 0.215 280 P C 1.627 178.868 177.300 -0.097 0.000 1.163 280 P CA 1.213 64.258 63.100 -0.091 0.000 0.894 280 P CB -0.101 31.565 31.700 -0.057 0.000 0.791 281 V N -0.240 119.632 119.914 -0.070 0.000 2.527 281 V HA -0.226 3.894 4.120 -0.000 0.000 0.255 281 V C 2.379 178.425 176.094 -0.080 0.000 1.081 281 V CA 1.651 63.917 62.300 -0.057 0.000 1.092 281 V CB -0.940 30.861 31.823 -0.036 0.000 0.673 281 V HN 0.001 nan 8.190 nan 0.000 0.470 282 I N -1.232 119.255 120.570 -0.139 0.000 2.731 282 I HA -0.110 4.060 4.170 -0.000 0.000 0.260 282 I C 2.473 178.352 176.117 -0.398 0.000 1.138 282 I CA 0.763 61.933 61.300 -0.216 0.000 1.461 282 I CB -0.220 37.613 38.000 -0.278 0.000 1.128 282 I HN 0.317 nan 8.210 nan 0.000 0.438 283 Q N 0.657 120.223 119.800 -0.391 0.000 2.123 283 Q HA -0.153 4.187 4.340 -0.000 0.000 0.199 283 Q C 1.389 177.216 176.000 -0.289 0.000 0.966 283 Q CA 1.152 56.659 55.803 -0.493 0.000 0.845 283 Q CB -0.046 28.506 28.738 -0.310 0.000 0.907 283 Q HN 0.487 nan 8.270 nan 0.000 0.439 284 D N 1.171 121.486 120.400 -0.142 0.000 2.149 284 D HA -0.073 4.567 4.640 -0.000 0.000 0.201 284 D C 1.793 178.106 176.300 0.022 0.000 0.972 284 D CA 1.059 55.031 54.000 -0.047 0.000 0.835 284 D CB -0.040 40.739 40.800 -0.035 0.000 0.966 284 D HN 0.206 nan 8.370 nan 0.000 0.476 285 A N 0.475 123.318 122.820 0.039 0.000 2.139 285 A HA -0.159 4.161 4.320 -0.000 0.000 0.221 285 A C 1.751 179.505 177.584 0.283 0.000 1.159 285 A CA 0.777 52.893 52.037 0.133 0.000 0.662 285 A CB -1.134 17.944 19.000 0.131 0.000 0.796 285 A HN 0.253 nan 8.150 nan 0.000 0.463 286 F N -0.618 119.276 119.950 -0.093 0.000 2.811 286 F HA -0.029 4.498 4.527 -0.000 0.000 0.301 286 F C 1.400 177.129 175.800 -0.118 0.000 1.151 286 F CA -0.330 57.598 58.000 -0.120 0.000 1.412 286 F CB 0.211 39.128 39.000 -0.138 0.000 1.113 286 F HN 0.204 nan 8.300 nan 0.000 0.579 287 D N 0.213 120.676 120.400 0.105 0.000 2.162 287 D HA -0.059 4.580 4.640 -0.000 0.000 0.203 287 D C 1.359 177.685 176.300 0.043 0.000 0.967 287 D CA 1.191 55.224 54.000 0.055 0.000 0.840 287 D CB 0.059 40.887 40.800 0.046 0.000 0.972 287 D HN 0.097 nan 8.370 nan 0.000 0.482 288 K N 0.143 120.559 120.400 0.028 0.000 2.972 288 K HA 0.250 4.570 4.320 -0.000 0.000 0.209 288 K C 0.052 176.644 176.600 -0.014 0.000 1.128 288 K CA -0.140 56.161 56.287 0.024 0.000 1.024 288 K CB 1.165 33.680 32.500 0.026 0.000 0.754 288 K HN 0.038 nan 8.250 nan 0.000 0.454 289 I N -0.988 119.542 120.570 -0.068 0.000 4.670 289 I HA 0.043 4.213 4.170 -0.000 0.000 0.339 289 I C 0.886 176.907 176.117 -0.160 0.000 1.310 289 I CA -0.195 61.042 61.300 -0.105 0.000 1.288 289 I CB -0.011 37.927 38.000 -0.102 0.000 1.427 289 I HN 0.325 nan 8.210 nan 0.000 0.494 290 H N 0.699 119.595 119.070 -0.291 0.000 1.488 290 H HA -0.270 4.285 4.556 -0.000 0.000 0.144 290 H C -0.559 174.605 175.328 -0.274 0.000 2.747 290 H CA 1.716 57.521 56.048 -0.405 0.000 1.841 290 H CB -0.185 29.028 29.762 -0.915 0.000 2.192 290 H HN 0.079 nan 8.280 nan 0.000 0.930 291 F N -2.227 117.604 119.950 -0.199 0.000 2.675 291 F HA 0.545 5.071 4.527 -0.000 0.000 0.324 291 F C 0.556 176.231 175.800 -0.208 0.000 1.106 291 F CA 0.465 58.353 58.000 -0.187 0.000 0.970 291 F CB 2.018 40.959 39.000 -0.099 0.000 1.385 291 F HN 0.531 nan 8.300 nan 0.000 0.489 292 G N -0.289 108.289 108.800 -0.370 0.000 2.658 292 G HA2 0.641 4.601 3.960 -0.000 0.000 0.292 292 G HA3 0.641 4.601 3.960 -0.000 0.000 0.292 292 G C -1.987 172.814 174.900 -0.165 0.000 1.320 292 G CA -0.490 44.454 45.100 -0.259 0.000 0.933 292 G HN 0.968 nan 8.290 nan 0.000 0.476 293 A N 0.538 123.310 122.820 -0.081 0.000 3.355 293 A HA 0.530 4.850 4.320 -0.000 0.000 0.290 293 A C -0.453 177.147 177.584 0.026 0.000 0.973 293 A CA -0.398 51.650 52.037 0.017 0.000 0.933 293 A CB 0.090 19.161 19.000 0.118 0.000 1.138 293 A HN 0.899 nan 8.150 nan 0.000 0.490 294 L N 1.310 122.502 121.223 -0.051 0.000 2.453 294 L HA 0.624 4.964 4.340 -0.000 0.000 0.272 294 L C 0.549 177.512 176.870 0.155 0.000 1.182 294 L CA 0.823 55.702 54.840 0.064 0.000 0.858 294 L CB 0.825 42.946 42.059 0.104 0.000 1.120 294 L HN 0.456 nan 8.230 nan 0.000 0.474 295 G N 3.991 112.888 108.800 0.161 0.000 2.630 295 G HA2 0.659 4.619 3.960 -0.000 0.000 0.296 295 G HA3 0.659 4.619 3.960 -0.000 0.000 0.296 295 G C -1.477 173.511 174.900 0.146 0.000 1.285 295 G CA -0.777 44.433 45.100 0.184 0.000 0.958 295 G HN 0.577 nan 8.290 nan 0.000 0.479 296 K N -0.624 119.844 120.400 0.113 0.000 2.477 296 K HA 0.678 4.998 4.320 -0.000 0.000 0.255 296 K C -1.613 174.945 176.600 -0.071 0.000 0.952 296 K CA -0.805 55.510 56.287 0.047 0.000 0.826 296 K CB 3.103 35.664 32.500 0.102 0.000 1.331 296 K HN 0.277 nan 8.250 nan 0.000 0.437 297 V N 3.056 122.873 119.914 -0.162 0.000 2.733 297 V HA 0.409 4.529 4.120 -0.000 0.000 0.306 297 V C -0.995 174.829 176.094 -0.451 0.000 1.084 297 V CA -0.936 61.143 62.300 -0.368 0.000 0.905 297 V CB 1.943 33.448 31.823 -0.530 0.000 1.010 297 V HN 0.613 nan 8.190 nan 0.000 0.424 298 I N 4.410 124.646 120.570 -0.557 0.000 2.362 298 I HA 0.477 4.647 4.170 -0.000 0.000 0.289 298 I C -0.792 174.952 176.117 -0.621 0.000 0.994 298 I CA -0.455 60.543 61.300 -0.503 0.000 1.158 298 I CB 1.179 38.783 38.000 -0.660 0.000 1.315 298 I HN 0.430 nan 8.210 nan 0.000 0.451 299 F N 4.469 124.334 119.950 -0.142 0.000 2.334 299 F HA 0.360 4.887 4.527 -0.000 0.000 0.367 299 F C 0.795 176.431 175.800 -0.273 0.000 1.115 299 F CA -0.578 57.265 58.000 -0.261 0.000 1.116 299 F CB 0.837 39.726 39.000 -0.185 0.000 1.230 299 F HN 0.377 nan 8.300 nan 0.000 0.484 300 E N 3.942 123.971 120.200 -0.286 0.000 2.146 300 E HA 0.397 4.747 4.350 -0.000 0.000 0.282 300 E C -1.127 175.227 176.600 -0.409 0.000 0.989 300 E CA -0.535 55.796 56.400 -0.114 0.000 0.799 300 E CB 1.280 30.973 29.700 -0.013 0.000 1.088 300 E HN 0.317 nan 8.360 nan 0.000 0.397 301 F N 0.940 120.960 119.950 0.117 0.000 2.492 301 F HA 0.189 4.716 4.527 -0.000 0.000 0.327 301 F C 1.737 177.582 175.800 0.076 0.000 1.079 301 F CA -0.738 57.313 58.000 0.085 0.000 0.967 301 F CB 1.194 40.364 39.000 0.283 0.000 1.169 301 F HN 0.498 nan 8.300 nan 0.000 0.472 302 E N 0.623 120.910 120.200 0.145 0.000 2.097 302 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 302 E C -0.122 176.613 176.600 0.225 0.000 1.000 302 E CA 1.476 57.965 56.400 0.148 0.000 0.804 302 E CB 0.269 30.023 29.700 0.089 0.000 0.740 302 E HN 0.749 nan 8.360 nan 0.000 0.454 303 E N -1.367 118.945 120.200 0.187 0.000 2.423 303 E HA 0.210 4.560 4.350 -0.000 0.000 0.280 303 E C -1.407 175.123 176.600 -0.116 0.000 1.030 303 E CA -0.813 55.626 56.400 0.064 0.000 0.812 303 E CB 0.931 30.640 29.700 0.015 0.000 1.313 303 E HN 0.056 nan 8.360 nan 0.000 0.456 304 C N 1.457 120.529 119.300 -0.380 0.000 2.514 304 C HA 0.609 5.069 4.460 -0.000 0.000 0.392 304 C C 0.964 175.466 174.990 -0.814 0.000 1.294 304 C CA 0.143 58.496 59.018 -1.109 0.000 1.957 304 C CB -1.115 26.011 27.740 -1.024 0.000 2.541 304 C HN 0.762 nan 8.230 nan 0.000 0.569 305 C N 3.889 122.654 119.300 -0.890 0.000 3.463 305 C HA 0.556 5.016 4.460 -0.000 0.000 0.283 305 C C -0.504 174.404 174.990 -0.136 0.000 2.452 305 C CA -0.830 57.984 59.018 -0.341 0.000 1.624 305 C CB -2.274 25.397 27.740 -0.114 0.000 3.368 305 C HN 0.991 nan 8.230 nan 0.000 0.407 306 W N -0.323 120.948 121.300 -0.048 0.000 2.958 306 W HA 0.789 5.448 4.660 -0.000 0.000 0.339 306 W C -0.033 176.458 176.519 -0.047 0.000 1.174 306 W CA -1.198 56.116 57.345 -0.052 0.000 1.064 306 W CB -0.009 29.416 29.460 -0.058 0.000 1.471 306 W HN 0.059 nan 8.180 nan 0.000 0.599 307 S N 1.183 117.051 115.700 0.280 0.000 2.533 307 S HA 0.097 4.567 4.470 -0.000 0.000 0.282 307 S C 0.105 174.822 174.600 0.195 0.000 1.304 307 S CA -0.223 58.063 58.200 0.143 0.000 1.063 307 S CB -0.149 63.101 63.200 0.083 0.000 0.881 307 S HN 0.491 nan 8.310 nan 0.000 0.493 308 N N 3.611 122.359 118.700 0.080 0.000 2.546 308 N HA 0.094 4.834 4.740 -0.000 0.000 0.286 308 N C 1.017 176.535 175.510 0.013 0.000 1.259 308 N CA -0.060 53.029 53.050 0.065 0.000 0.939 308 N CB 0.506 39.000 38.487 0.013 0.000 1.243 308 N HN 0.847 nan 8.380 nan 0.000 0.511 309 E N -0.233 119.970 120.200 0.005 0.000 2.150 309 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 309 E C -0.185 176.389 176.600 -0.044 0.000 0.985 309 E CA 0.557 56.945 56.400 -0.019 0.000 0.814 309 E CB 0.323 30.012 29.700 -0.019 0.000 0.752 309 E HN 0.069 nan 8.360 nan 0.000 0.466 310 S N -1.423 114.232 115.700 -0.076 0.000 2.533 310 S HA 0.171 4.641 4.470 -0.000 0.000 0.271 310 S C 0.113 174.601 174.600 -0.187 0.000 1.143 310 S CA -0.211 57.914 58.200 -0.124 0.000 0.891 310 S CB 1.594 64.700 63.200 -0.157 0.000 1.105 310 S HN 0.172 nan 8.310 nan 0.000 0.468 311 S N 2.624 118.213 115.700 -0.186 0.000 2.593 311 S HA 0.304 4.774 4.470 -0.000 0.000 0.217 311 S C 0.082 174.464 174.600 -0.363 0.000 0.966 311 S CA -0.022 58.042 58.200 -0.227 0.000 0.914 311 S CB -0.160 62.958 63.200 -0.136 0.000 0.776 311 S HN 0.472 nan 8.310 nan 0.000 0.523 312 K N 1.733 121.846 120.400 -0.478 0.000 2.483 312 K HA 0.555 4.875 4.320 -0.000 0.000 0.256 312 K C -1.205 174.880 176.600 -0.858 0.000 0.961 312 K CA -0.227 55.544 56.287 -0.861 0.000 0.873 312 K CB 1.498 33.239 32.500 -1.265 0.000 1.107 312 K HN 0.333 nan 8.250 nan 0.000 0.432 313 I N 2.294 122.366 120.570 -0.830 0.000 2.478 313 I HA 0.329 4.499 4.170 -0.000 0.000 0.287 313 I C -0.612 175.240 176.117 -0.442 0.000 1.042 313 I CA -1.238 59.723 61.300 -0.565 0.000 1.067 313 I CB 2.269 40.012 38.000 -0.429 0.000 1.233 313 I HN 0.001 nan 8.210 nan 0.000 0.431 314 V N 4.154 123.888 119.914 -0.299 0.000 2.407 314 V HA 0.332 4.452 4.120 -0.000 0.000 0.291 314 V C 0.191 176.399 176.094 0.190 0.000 1.018 314 V CA -0.581 61.740 62.300 0.035 0.000 0.842 314 V CB 2.024 33.981 31.823 0.223 0.000 0.996 314 V HN 0.841 nan 8.190 nan 0.000 0.426 315 T N 3.831 118.536 114.554 0.251 0.000 2.729 315 T HA 0.606 4.956 4.350 -0.000 0.000 0.296 315 T C -0.387 174.518 174.700 0.342 0.000 0.928 315 T CA -0.642 61.608 62.100 0.250 0.000 1.045 315 T CB 0.681 69.567 68.868 0.030 0.000 0.902 315 T HN 0.152 nan 8.240 nan 0.000 0.500 316 L N 3.186 124.651 121.223 0.403 0.000 2.416 316 L HA 0.500 4.840 4.340 -0.000 0.000 0.272 316 L C 1.020 178.117 176.870 0.379 0.000 1.161 316 L CA -0.105 54.945 54.840 0.351 0.000 0.845 316 L CB -0.239 42.004 42.059 0.306 0.000 1.119 316 L HN 0.978 nan 8.230 nan 0.000 0.464 317 A N 3.531 126.500 122.820 0.249 0.000 2.386 317 A HA 0.229 4.549 4.320 -0.000 0.000 0.248 317 A C 0.432 178.125 177.584 0.183 0.000 1.082 317 A CA -0.545 51.633 52.037 0.234 0.000 0.789 317 A CB -0.144 18.915 19.000 0.099 0.000 1.025 317 A HN 0.765 nan 8.150 nan 0.000 0.490 318 N N 0.899 119.699 118.700 0.167 0.000 2.293 318 N HA 0.102 4.842 4.740 -0.000 0.000 0.253 318 N C 0.181 175.706 175.510 0.024 0.000 1.248 318 N CA 1.019 54.105 53.050 0.060 0.000 0.845 318 N CB 0.368 38.870 38.487 0.026 0.000 1.073 318 N HN 0.771 nan 8.380 nan 0.000 0.464 319 S N -0.595 115.108 115.700 0.005 0.000 2.599 319 S HA 0.736 5.205 4.470 -0.000 0.000 0.294 319 S C -0.196 174.375 174.600 -0.047 0.000 1.094 319 S CA -0.937 57.231 58.200 -0.054 0.000 0.931 319 S CB 1.953 65.092 63.200 -0.102 0.000 1.093 319 S HN 0.528 nan 8.310 nan 0.000 0.488 320 T N -0.726 113.821 114.554 -0.011 0.000 2.887 320 T HA 0.469 4.819 4.350 -0.000 0.000 0.288 320 T C 0.590 175.319 174.700 0.048 0.000 1.021 320 T CA -0.998 61.115 62.100 0.021 0.000 1.000 320 T CB 1.157 70.058 68.868 0.054 0.000 1.034 320 T HN 0.497 nan 8.240 nan 0.000 0.467 321 N N 1.399 120.100 118.700 0.003 0.000 2.149 321 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 321 N C 1.384 176.906 175.510 0.021 0.000 1.019 321 N CA 1.372 54.419 53.050 -0.006 0.000 0.857 321 N CB -0.186 38.291 38.487 -0.017 0.000 0.997 321 N HN 0.713 nan 8.380 nan 0.000 0.426 322 E N 0.609 120.833 120.200 0.040 0.000 2.130 322 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 322 E C 1.589 178.230 176.600 0.067 0.000 0.998 322 E CA 0.640 57.066 56.400 0.043 0.000 0.806 322 E CB -0.432 29.301 29.700 0.055 0.000 0.738 322 E HN 0.360 nan 8.360 nan 0.000 0.459 323 F N 0.282 120.222 119.950 -0.017 0.000 2.171 323 F HA -0.205 4.321 4.527 -0.000 0.000 0.300 323 F C 1.800 177.588 175.800 -0.021 0.000 1.090 323 F CA 0.940 58.940 58.000 -0.001 0.000 1.293 323 F CB -0.206 38.803 39.000 0.015 0.000 1.013 323 F HN -0.125 nan 8.300 nan 0.000 0.486 324 V N 0.134 119.974 119.914 -0.123 0.000 2.244 324 V HA -0.271 3.849 4.120 -0.000 0.000 0.244 324 V C 2.315 178.282 176.094 -0.213 0.000 1.042 324 V CA 2.135 64.315 62.300 -0.200 0.000 1.006 324 V CB -0.936 30.836 31.823 -0.085 0.000 0.641 324 V HN 0.147 nan 8.190 nan 0.000 0.446 325 E N 0.359 120.480 120.200 -0.133 0.000 2.114 325 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 325 E C 1.986 178.498 176.600 -0.147 0.000 1.008 325 E CA 1.672 58.003 56.400 -0.114 0.000 0.810 325 E CB -0.481 29.176 29.700 -0.071 0.000 0.739 325 E HN 0.609 nan 8.360 nan 0.000 0.456 326 I N -0.263 120.202 120.570 -0.175 0.000 2.286 326 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 326 I C 2.015 177.984 176.117 -0.247 0.000 1.115 326 I CA 0.789 61.979 61.300 -0.183 0.000 1.392 326 I CB -0.349 37.553 38.000 -0.163 0.000 1.065 326 I HN 0.018 nan 8.210 nan 0.000 0.418 327 V N 0.661 120.350 119.914 -0.375 0.000 2.453 327 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 327 V C 2.620 178.569 176.094 -0.243 0.000 1.048 327 V CA 1.411 63.493 62.300 -0.364 0.000 1.049 327 V CB -0.724 30.806 31.823 -0.488 0.000 0.672 327 V HN 0.343 nan 8.190 nan 0.000 0.457 328 R N 0.793 121.167 120.500 -0.209 0.000 2.073 328 R HA -0.098 4.241 4.340 -0.000 0.000 0.234 328 R C 2.016 178.234 176.300 -0.137 0.000 1.134 328 R CA 1.772 57.775 56.100 -0.162 0.000 0.952 328 R CB -1.099 29.120 30.300 -0.134 0.000 0.850 328 R HN 0.676 nan 8.270 nan 0.000 0.433 329 N N 0.643 119.269 118.700 -0.124 0.000 2.051 329 N HA -0.040 4.700 4.740 -0.000 0.000 0.192 329 N C 0.490 175.942 175.510 -0.097 0.000 1.049 329 N CA 0.522 53.513 53.050 -0.099 0.000 0.845 329 N CB -0.301 38.136 38.487 -0.084 0.000 1.031 329 N HN 0.134 nan 8.380 nan 0.000 0.425 330 A N 1.523 124.281 122.820 -0.104 0.000 2.602 330 A HA -0.195 4.125 4.320 -0.000 0.000 0.256 330 A C 0.377 177.908 177.584 -0.088 0.000 0.956 330 A CA 0.883 52.864 52.037 -0.093 0.000 0.878 330 A CB -0.101 18.833 19.000 -0.109 0.000 0.834 330 A HN 0.430 nan 8.150 nan 0.000 0.473 331 E N 1.269 121.427 120.200 -0.070 0.000 2.499 331 E HA 0.160 4.510 4.350 -0.000 0.000 0.199 331 E C -0.147 176.419 176.600 -0.057 0.000 1.016 331 E CA -0.235 56.127 56.400 -0.064 0.000 0.933 331 E CB 0.182 29.851 29.700 -0.052 0.000 1.050 331 E HN 0.631 nan 8.360 nan 0.000 0.462 332 N N -0.076 118.588 118.700 -0.061 0.000 4.455 332 N HA 0.023 4.763 4.740 -0.000 0.000 0.204 332 N C 0.134 175.611 175.510 -0.054 0.000 1.182 332 N CA -0.357 52.662 53.050 -0.052 0.000 0.916 332 N CB 0.457 38.921 38.487 -0.039 0.000 1.543 332 N HN -0.020 nan 8.380 nan 0.000 0.536 333 L N 0.835 122.028 121.223 -0.050 0.000 2.081 333 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 333 L C 1.355 178.200 176.870 -0.041 0.000 1.080 333 L CA 1.492 56.300 54.840 -0.052 0.000 0.754 333 L CB -0.155 41.879 42.059 -0.043 0.000 0.893 333 L HN 0.571 nan 8.230 nan 0.000 0.433 334 D N -0.246 120.135 120.400 -0.031 0.000 2.077 334 D HA -0.258 4.382 4.640 -0.000 0.000 0.193 334 D C 1.895 178.181 176.300 -0.023 0.000 0.989 334 D CA 1.412 55.399 54.000 -0.022 0.000 0.831 334 D CB -0.221 40.568 40.800 -0.018 0.000 0.979 334 D HN 0.348 nan 8.370 nan 0.000 0.449 335 E N -0.032 120.150 120.200 -0.029 0.000 2.396 335 E HA -0.176 4.174 4.350 -0.000 0.000 0.200 335 E C 1.839 178.416 176.600 -0.038 0.000 1.023 335 E CA 0.288 56.669 56.400 -0.032 0.000 0.857 335 E CB 0.057 29.735 29.700 -0.037 0.000 0.775 335 E HN 0.060 nan 8.360 nan 0.000 0.525 336 L N 0.498 121.694 121.223 -0.044 0.000 2.189 336 L HA -0.009 4.331 4.340 -0.000 0.000 0.199 336 L C 1.497 178.355 176.870 -0.021 0.000 1.074 336 L CA 1.691 56.498 54.840 -0.055 0.000 0.783 336 L CB -0.425 41.585 42.059 -0.082 0.000 0.955 336 L HN 0.006 nan 8.230 nan 0.000 0.460 337 D N -0.572 119.823 120.400 -0.009 0.000 2.104 337 D HA -0.223 4.417 4.640 -0.000 0.000 0.194 337 D C 2.171 178.497 176.300 0.044 0.000 0.994 337 D CA 1.628 55.651 54.000 0.039 0.000 0.830 337 D CB -0.226 40.593 40.800 0.033 0.000 0.959 337 D HN 0.445 nan 8.370 nan 0.000 0.452 338 S N 0.545 116.255 115.700 0.017 0.000 2.389 338 S HA -0.258 4.212 4.470 -0.000 0.000 0.229 338 S C 2.144 176.754 174.600 0.016 0.000 1.048 338 S CA 1.723 59.930 58.200 0.012 0.000 1.117 338 S CB -0.317 62.882 63.200 -0.002 0.000 1.020 338 S HN 0.168 nan 8.310 nan 0.000 0.430 339 M N 0.513 120.117 119.600 0.006 0.000 2.106 339 M HA -0.066 4.414 4.480 -0.000 0.000 0.259 339 M C 0.763 177.083 176.300 0.033 0.000 1.068 339 M CA 1.155 56.458 55.300 0.006 0.000 1.100 339 M CB -0.526 32.062 32.600 -0.019 0.000 1.351 339 M HN 0.296 nan 8.290 nan 0.000 0.404 340 L N 1.646 122.906 121.223 0.062 0.000 2.436 340 L HA 0.001 4.340 4.340 -0.000 0.000 0.244 340 L C -0.377 176.552 176.870 0.098 0.000 1.396 340 L CA 0.417 55.333 54.840 0.125 0.000 1.217 340 L CB -0.715 41.479 42.059 0.225 0.000 1.420 340 L HN 0.252 nan 8.230 nan 0.000 0.434 341 E N 1.768 122.005 120.200 0.062 0.000 3.079 341 E HA 0.322 4.672 4.350 -0.000 0.000 0.329 341 E C -0.766 175.852 176.600 0.029 0.000 1.166 341 E CA -0.305 56.117 56.400 0.037 0.000 0.876 341 E CB 0.997 30.712 29.700 0.025 0.000 1.479 341 E HN 0.406 nan 8.360 nan 0.000 0.384 350 S N 1.035 116.743 115.700 0.013 0.000 2.625 350 S HA 0.622 5.092 4.470 -0.000 0.000 0.258 350 S C 0.400 175.017 174.600 0.027 0.000 1.256 350 S CA -0.446 57.762 58.200 0.014 0.000 0.983 350 S CB 0.658 63.865 63.200 0.012 0.000 1.032 350 S HN 0.272 nan 8.310 nan 0.000 0.572 351 V N 1.218 121.155 119.914 0.037 0.000 2.588 351 V HA 0.685 4.805 4.120 -0.000 0.000 0.304 351 V C 0.141 176.303 176.094 0.113 0.000 1.042 351 V CA -0.592 61.754 62.300 0.076 0.000 0.877 351 V CB 1.394 33.264 31.823 0.078 0.000 0.996 351 V HN 1.110 nan 8.190 nan 0.000 0.425 352 T N -0.962 113.616 114.554 0.039 0.000 2.654 352 T HA 0.205 4.555 4.350 -0.000 0.000 0.289 352 T C 1.157 175.574 174.700 -0.472 0.000 1.062 352 T CA 0.075 62.009 62.100 -0.276 0.000 1.041 352 T CB 1.134 69.871 68.868 -0.218 0.000 1.417 352 T HN 0.906 nan 8.240 nan 0.000 0.510 353 C N -1.577 117.117 119.300 -1.010 0.000 2.460 353 C HA 0.198 4.658 4.460 -0.000 0.000 0.291 353 C C 1.184 175.914 174.990 -0.433 0.000 1.493 353 C CA -0.376 58.199 59.018 -0.739 0.000 1.748 353 C CB -2.315 24.925 27.740 -0.833 0.000 1.656 353 C HN 0.721 nan 8.230 nan 0.000 0.576 354 W N 0.405 121.644 121.300 -0.102 0.000 2.862 354 W HA 0.307 4.967 4.660 -0.000 0.000 0.376 354 W C 1.885 178.411 176.519 0.012 0.000 1.028 354 W CA -0.209 57.128 57.345 -0.013 0.000 1.757 354 W CB 0.007 29.447 29.460 -0.033 0.000 1.128 354 W HN 0.064 nan 8.180 nan 0.000 0.566 355 S N 1.009 116.819 115.700 0.184 0.000 2.593 355 S HA 0.014 4.484 4.470 -0.000 0.000 0.217 355 S C 0.457 175.137 174.600 0.133 0.000 0.966 355 S CA 0.324 58.611 58.200 0.145 0.000 0.914 355 S CB -0.237 63.034 63.200 0.118 0.000 0.776 355 S HN 0.226 nan 8.310 nan 0.000 0.523 356 Q N 0.014 119.905 119.800 0.152 0.000 2.527 356 Q HA 0.353 4.693 4.340 -0.000 0.000 0.280 356 Q C -3.629 172.465 176.000 0.157 0.000 0.977 356 Q CA -2.246 53.633 55.803 0.126 0.000 0.837 356 Q CB 0.493 29.316 28.738 0.143 0.000 1.454 356 Q HN -0.088 nan 8.270 nan 0.000 0.387 357 P HA 0.326 nan 4.420 nan 0.000 0.271 357 P C -0.663 176.781 177.300 0.241 0.000 1.216 357 P CA -0.168 63.058 63.100 0.210 0.000 0.776 357 P CB 0.901 32.721 31.700 0.201 0.000 0.881 358 L N 2.847 124.239 121.223 0.281 0.000 2.381 358 L HA 0.466 4.806 4.340 -0.000 0.000 0.268 358 L C -0.225 176.792 176.870 0.246 0.000 0.997 358 L CA -1.039 53.944 54.840 0.238 0.000 0.818 358 L CB 1.970 44.198 42.059 0.281 0.000 1.310 358 L HN 0.294 nan 8.230 nan 0.000 0.416 359 F N 2.894 122.816 119.950 -0.048 0.000 2.385 359 F HA 0.518 5.044 4.527 -0.000 0.000 0.360 359 F C -0.951 174.690 175.800 -0.265 0.000 1.122 359 F CA -0.417 57.561 58.000 -0.037 0.000 1.090 359 F CB 0.557 39.563 39.000 0.010 0.000 1.150 359 F HN 0.094 nan 8.300 nan 0.000 0.472 360 F N 5.612 125.182 119.950 -0.633 0.000 2.426 360 F HA 0.477 5.004 4.527 -0.000 0.000 0.348 360 F C -0.527 174.848 175.800 -0.710 0.000 1.124 360 F CA -1.078 56.642 58.000 -0.466 0.000 1.008 360 F CB 1.608 40.398 39.000 -0.349 0.000 1.139 360 F HN 0.014 nan 8.300 nan 0.000 0.452 361 V N 3.716 123.460 119.914 -0.285 0.000 2.334 361 V HA 0.133 4.253 4.120 -0.000 0.000 0.267 361 V C 0.257 176.154 176.094 -0.327 0.000 1.040 361 V CA -0.830 61.313 62.300 -0.260 0.000 0.866 361 V CB 0.952 32.786 31.823 0.018 0.000 1.019 361 V HN 0.766 nan 8.190 nan 0.000 0.468 362 N N 4.983 123.403 118.700 -0.466 0.000 2.549 362 N HA 0.131 4.870 4.740 -0.000 0.000 0.267 362 N C 1.089 176.476 175.510 -0.205 0.000 1.182 362 N CA -0.414 52.321 53.050 -0.525 0.000 1.019 362 N CB 0.396 38.574 38.487 -0.515 0.000 1.380 362 N HN 0.695 nan 8.380 nan 0.000 0.505 363 L N 1.849 123.017 121.223 -0.092 0.000 2.447 363 L HA -0.160 4.180 4.340 -0.000 0.000 0.225 363 L C 2.446 179.352 176.870 0.059 0.000 1.148 363 L CA 0.520 55.340 54.840 -0.034 0.000 0.808 363 L CB -0.349 41.764 42.059 0.089 0.000 0.928 363 L HN 0.532 nan 8.230 nan 0.000 0.448 364 S N -0.110 115.686 115.700 0.159 0.000 2.387 364 S HA -0.179 4.291 4.470 -0.000 0.000 0.226 364 S C 2.071 176.711 174.600 0.067 0.000 1.026 364 S CA 1.115 59.418 58.200 0.172 0.000 0.972 364 S CB 0.097 63.484 63.200 0.312 0.000 0.814 364 S HN 0.385 nan 8.310 nan 0.000 0.477 365 K N 0.651 121.077 120.400 0.042 0.000 2.031 365 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 365 K C 2.393 178.991 176.600 -0.002 0.000 1.049 365 K CA 1.586 57.878 56.287 0.008 0.000 0.939 365 K CB -0.391 32.102 32.500 -0.012 0.000 0.717 365 K HN 0.548 nan 8.250 nan 0.000 0.438 366 S N -0.480 115.203 115.700 -0.029 0.000 2.387 366 S HA -0.094 4.376 4.470 -0.000 0.000 0.226 366 S C 1.722 176.318 174.600 -0.008 0.000 1.026 366 S CA 1.488 59.672 58.200 -0.027 0.000 0.972 366 S CB -0.232 62.907 63.200 -0.101 0.000 0.814 366 S HN 0.481 nan 8.310 nan 0.000 0.477 367 T N -4.166 110.378 114.554 -0.017 0.000 3.111 367 T HA 0.572 4.922 4.350 -0.000 0.000 0.284 367 T C 1.317 176.030 174.700 0.023 0.000 0.983 367 T CA 0.437 62.544 62.100 0.012 0.000 0.900 367 T CB 0.182 69.058 68.868 0.014 0.000 1.132 367 T HN 1.156 nan 8.240 nan 0.000 0.531 368 G N 1.162 109.979 108.800 0.027 0.000 2.166 368 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.260 368 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.260 368 G C -0.001 174.933 174.900 0.057 0.000 0.986 368 G CA 0.211 45.328 45.100 0.028 0.000 0.683 368 G HN 0.813 nan 8.290 nan 0.000 0.527 369 V N 0.449 120.424 119.914 0.102 0.000 2.398 369 V HA 0.703 4.823 4.120 -0.000 0.000 0.286 369 V C 1.009 177.288 176.094 0.309 0.000 1.026 369 V CA -0.164 62.237 62.300 0.169 0.000 0.868 369 V CB 1.649 33.559 31.823 0.146 0.000 0.982 369 V HN 0.977 nan 8.190 nan 0.000 0.443 370 A N 4.000 127.033 122.820 0.355 0.000 2.900 370 A HA 0.471 4.790 4.320 -0.000 0.000 0.246 370 A C 0.654 178.739 177.584 0.835 0.000 1.725 370 A CA 0.160 52.546 52.037 0.582 0.000 1.400 370 A CB -0.648 18.589 19.000 0.396 0.000 0.973 370 A HN 0.705 nan 8.150 nan 0.000 0.635 371 S N -0.804 115.353 115.700 0.762 0.000 2.667 371 S HA 0.825 5.294 4.470 -0.000 0.000 0.292 371 S C -1.163 173.944 174.600 0.845 0.000 1.126 371 S CA -0.446 58.218 58.200 0.773 0.000 0.881 371 S CB 1.086 64.674 63.200 0.646 0.000 1.132 371 S HN 0.274 nan 8.310 nan 0.000 0.492 372 F N 1.734 121.910 119.950 0.378 0.000 2.493 372 F HA 0.524 5.051 4.527 -0.000 0.000 0.329 372 F C -0.028 175.917 175.800 0.242 0.000 1.126 372 F CA -1.100 57.069 58.000 0.282 0.000 0.937 372 F CB 1.589 40.805 39.000 0.360 0.000 1.146 372 F HN 0.376 nan 8.300 nan 0.000 0.442 373 M N 6.318 126.086 119.600 0.280 0.000 2.180 373 M HA 0.506 4.985 4.480 -0.000 0.000 0.350 373 M C -1.339 175.030 176.300 0.115 0.000 1.125 373 M CA -0.196 55.211 55.300 0.177 0.000 1.031 373 M CB 1.108 33.816 32.600 0.180 0.000 1.623 373 M HN 0.715 nan 8.290 nan 0.000 0.451 374 M N 5.095 124.704 119.600 0.016 0.000 2.393 374 M HA 0.494 4.973 4.480 -0.000 0.000 0.316 374 M C -2.109 174.154 176.300 -0.063 0.000 1.087 374 M CA -0.867 54.298 55.300 -0.224 0.000 0.937 374 M CB 1.654 33.904 32.600 -0.584 0.000 1.668 374 M HN 0.675 nan 8.290 nan 0.000 0.438 375 L N 5.539 126.784 121.223 0.038 0.000 2.334 375 L HA 0.672 5.012 4.340 -0.000 0.000 0.275 375 L C -0.290 176.628 176.870 0.081 0.000 1.036 375 L CA -0.190 54.723 54.840 0.122 0.000 0.807 375 L CB 1.843 44.021 42.059 0.198 0.000 1.231 375 L HN 0.801 nan 8.230 nan 0.000 0.438 376 M N 1.705 121.368 119.600 0.104 0.000 2.501 376 M HA 0.687 5.167 4.480 -0.000 0.000 0.293 376 M C -1.199 175.183 176.300 0.136 0.000 1.192 376 M CA -0.789 54.591 55.300 0.134 0.000 0.886 376 M CB 2.391 35.085 32.600 0.157 0.000 1.710 376 M HN 0.560 nan 8.290 nan 0.000 0.457 377 Q N 2.449 122.337 119.800 0.147 0.000 2.252 377 Q HA 0.842 5.182 4.340 -0.000 0.000 0.256 377 Q C -1.050 175.029 176.000 0.132 0.000 1.020 377 Q CA -0.610 55.274 55.803 0.135 0.000 0.913 377 Q CB 1.509 30.336 28.738 0.148 0.000 1.286 377 Q HN 0.933 nan 8.270 nan 0.000 0.480 378 A N 1.430 124.323 122.820 0.121 0.000 2.386 378 A HA 0.418 4.738 4.320 -0.000 0.000 0.248 378 A C -1.636 176.015 177.584 0.113 0.000 1.082 378 A CA -0.956 51.150 52.037 0.114 0.000 0.789 378 A CB -0.123 18.944 19.000 0.112 0.000 1.025 378 A HN 0.785 nan 8.150 nan 0.000 0.490 379 P HA -0.044 nan 4.420 nan 0.000 0.235 379 P C 1.383 178.744 177.300 0.101 0.000 1.177 379 P CA 0.146 63.300 63.100 0.090 0.000 0.785 379 P CB 0.069 31.809 31.700 0.066 0.000 0.885 380 L N 0.466 121.757 121.223 0.113 0.000 2.456 380 L HA -0.123 4.217 4.340 -0.000 0.000 0.225 380 L C 1.316 178.257 176.870 0.119 0.000 1.142 380 L CA 1.757 56.672 54.840 0.125 0.000 0.796 380 L CB -1.309 40.851 42.059 0.169 0.000 0.920 380 L HN -0.013 nan 8.230 nan 0.000 0.446 381 T N 0.077 114.699 114.554 0.115 0.000 2.735 381 T HA -0.087 4.263 4.350 -0.000 0.000 0.256 381 T C 1.677 176.419 174.700 0.069 0.000 1.042 381 T CA 1.141 63.301 62.100 0.099 0.000 1.147 381 T CB -0.130 68.805 68.868 0.111 0.000 0.865 381 T HN 0.448 nan 8.240 nan 0.000 0.421 382 N N 1.006 119.755 118.700 0.081 0.000 2.091 382 N HA -0.215 4.525 4.740 -0.000 0.000 0.193 382 N C 1.774 177.306 175.510 0.036 0.000 1.021 382 N CA 1.394 54.481 53.050 0.062 0.000 0.862 382 N CB -0.491 38.042 38.487 0.076 0.000 1.018 382 N HN 0.516 nan 8.380 nan 0.000 0.429 383 H N 0.859 119.913 119.070 -0.026 0.000 2.428 383 H HA 0.030 4.586 4.556 -0.000 0.000 0.296 383 H C 1.881 177.144 175.328 -0.109 0.000 1.062 383 H CA 0.681 56.688 56.048 -0.068 0.000 1.350 383 H CB 0.328 30.038 29.762 -0.088 0.000 1.403 383 H HN 0.079 nan 8.280 nan 0.000 0.533 384 I N 1.314 121.785 120.570 -0.165 0.000 2.353 384 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 384 I C 2.133 178.149 176.117 -0.169 0.000 1.119 384 I CA 0.857 62.034 61.300 -0.205 0.000 1.417 384 I CB -0.984 37.000 38.000 -0.028 0.000 1.078 384 I HN 0.316 nan 8.210 nan 0.000 0.421 385 E N 0.496 120.632 120.200 -0.106 0.000 2.204 385 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 385 E C 2.198 178.720 176.600 -0.130 0.000 0.990 385 E CA 1.334 57.674 56.400 -0.101 0.000 0.821 385 E CB -0.125 29.540 29.700 -0.059 0.000 0.750 385 E HN 0.326 nan 8.360 nan 0.000 0.477 386 S N 1.351 116.952 115.700 -0.166 0.000 2.423 386 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 386 S C 1.781 176.267 174.600 -0.191 0.000 1.014 386 S CA 0.643 58.743 58.200 -0.167 0.000 0.965 386 S CB -0.204 62.891 63.200 -0.176 0.000 0.785 386 S HN 0.408 nan 8.310 nan 0.000 0.495 387 I N -0.366 120.053 120.570 -0.252 0.000 3.816 387 I HA 0.364 4.534 4.170 -0.000 0.000 0.334 387 I C 1.569 177.607 176.117 -0.132 0.000 1.551 387 I CA -0.540 60.641 61.300 -0.198 0.000 1.153 387 I CB 0.028 37.873 38.000 -0.259 0.000 1.197 387 I HN 0.112 nan 8.210 nan 0.000 0.439 388 R N 0.609 121.035 120.500 -0.124 0.000 2.159 388 R HA -0.112 4.228 4.340 -0.000 0.000 0.237 388 R C 0.848 177.096 176.300 -0.086 0.000 1.131 388 R CA 1.341 57.378 56.100 -0.106 0.000 0.982 388 R CB -0.463 29.766 30.300 -0.118 0.000 0.868 388 R HN 0.416 nan 8.270 nan 0.000 0.453 389 E N 0.991 121.146 120.200 -0.074 0.000 2.299 389 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 389 E C -0.039 176.536 176.600 -0.041 0.000 0.998 389 E CA 0.439 56.805 56.400 -0.057 0.000 0.851 389 E CB -0.133 29.537 29.700 -0.050 0.000 0.795 389 E HN 0.275 nan 8.360 nan 0.000 0.492 390 D N 1.734 122.111 120.400 -0.038 0.000 2.551 390 D HA 0.009 4.649 4.640 -0.000 0.000 0.223 390 D C 0.888 177.194 176.300 0.010 0.000 1.144 390 D CA -0.049 53.943 54.000 -0.013 0.000 1.025 390 D CB 0.283 41.074 40.800 -0.016 0.000 1.085 390 D HN -0.223 nan 8.370 nan 0.000 0.506 391 K N 1.722 122.126 120.400 0.007 0.000 2.032 391 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 391 K C 1.592 178.255 176.600 0.105 0.000 1.048 391 K CA 0.953 57.256 56.287 0.026 0.000 0.927 391 K CB -0.073 32.416 32.500 -0.018 0.000 0.712 391 K HN 0.272 nan 8.250 nan 0.000 0.441 392 E N 0.859 121.116 120.200 0.096 0.000 2.209 392 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 392 E C 2.054 178.769 176.600 0.192 0.000 0.993 392 E CA 1.047 57.546 56.400 0.165 0.000 0.819 392 E CB -0.017 29.748 29.700 0.108 0.000 0.745 392 E HN 0.226 nan 8.360 nan 0.000 0.477 393 R N -0.403 120.171 120.500 0.125 0.000 2.062 393 R HA -0.036 4.304 4.340 -0.000 0.000 0.229 393 R C 2.271 178.660 176.300 0.148 0.000 1.128 393 R CA 1.020 57.183 56.100 0.105 0.000 0.960 393 R CB -0.257 30.073 30.300 0.051 0.000 0.855 393 R HN 0.189 nan 8.270 nan 0.000 0.432 394 L N 0.096 121.421 121.223 0.169 0.000 1.990 394 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 394 L C 2.445 179.599 176.870 0.473 0.000 1.072 394 L CA 1.541 56.555 54.840 0.290 0.000 0.755 394 L CB -0.693 41.524 42.059 0.264 0.000 0.889 394 L HN 0.224 nan 8.230 nan 0.000 0.432 395 F N 0.677 120.787 119.950 0.267 0.000 2.161 395 F HA -0.223 4.304 4.527 -0.000 0.000 0.300 395 F C 2.552 178.475 175.800 0.204 0.000 1.089 395 F CA 1.648 59.807 58.000 0.266 0.000 1.282 395 F CB -0.391 38.695 39.000 0.143 0.000 1.010 395 F HN -0.045 nan 8.300 nan 0.000 0.485 396 S N -0.000 115.669 115.700 -0.052 0.000 2.383 396 S HA -0.181 4.289 4.470 -0.000 0.000 0.227 396 S C 1.862 176.371 174.600 -0.152 0.000 1.026 396 S CA 1.205 59.289 58.200 -0.193 0.000 0.981 396 S CB -0.845 62.342 63.200 -0.023 0.000 0.818 396 S HN 0.519 nan 8.310 nan 0.000 0.472 397 F N 0.877 120.699 119.950 -0.214 0.000 2.234 397 F HA 0.062 4.589 4.527 -0.000 0.000 0.299 397 F C 1.248 176.753 175.800 -0.492 0.000 1.087 397 F CA 1.189 58.963 58.000 -0.377 0.000 1.340 397 F CB -0.066 38.615 39.000 -0.531 0.000 1.031 397 F HN 0.155 nan 8.300 nan 0.000 0.500 398 F N -0.668 119.335 119.950 0.088 0.000 2.704 398 F HA 0.110 4.636 4.527 -0.000 0.000 0.304 398 F C 2.216 177.895 175.800 -0.201 0.000 1.094 398 F CA 0.168 58.166 58.000 -0.004 0.000 1.275 398 F CB -0.430 38.764 39.000 0.325 0.000 1.073 398 F HN -0.053 nan 8.300 nan 0.000 0.586 399 Q N 2.416 122.080 119.800 -0.226 0.000 2.077 399 Q HA -0.184 4.155 4.340 -0.000 0.000 0.206 399 Q C -0.783 175.111 176.000 -0.176 0.000 0.989 399 Q CA 2.382 57.967 55.803 -0.363 0.000 0.853 399 Q CB -1.241 27.034 28.738 -0.771 0.000 0.907 399 Q HN 0.158 nan 8.270 nan 0.000 0.418 400 P HA -0.170 nan 4.420 nan 0.000 0.215 400 P C 1.514 178.792 177.300 -0.036 0.000 1.157 400 P CA 2.205 65.292 63.100 -0.022 0.000 0.868 400 P CB -0.324 31.404 31.700 0.046 0.000 0.788 401 V N -2.454 117.271 119.914 -0.314 0.000 2.453 401 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 401 V C 2.783 178.641 176.094 -0.394 0.000 1.048 401 V CA 1.190 63.176 62.300 -0.525 0.000 1.049 401 V CB -1.955 29.469 31.823 -0.665 0.000 0.672 401 V HN -0.071 nan 8.190 nan 0.000 0.457 402 L N 0.692 121.719 121.223 -0.327 0.000 2.042 402 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 402 L C 2.738 179.462 176.870 -0.245 0.000 1.076 402 L CA 2.002 56.616 54.840 -0.375 0.000 0.749 402 L CB -0.850 41.066 42.059 -0.239 0.000 0.893 402 L HN 0.404 nan 8.230 nan 0.000 0.432 403 N N -0.047 118.583 118.700 -0.117 0.000 2.331 403 N HA -0.164 4.576 4.740 -0.000 0.000 0.180 403 N C 1.793 177.286 175.510 -0.028 0.000 1.019 403 N CA 0.903 53.924 53.050 -0.048 0.000 0.881 403 N CB -0.043 38.446 38.487 0.003 0.000 0.972 403 N HN 0.166 nan 8.380 nan 0.000 0.435 404 K N 1.521 121.927 120.400 0.009 0.000 2.031 404 K HA 0.138 4.458 4.320 -0.000 0.000 0.205 404 K C 1.960 178.545 176.600 -0.025 0.000 1.049 404 K CA 0.629 56.967 56.287 0.084 0.000 0.939 404 K CB -0.364 32.351 32.500 0.357 0.000 0.717 404 K HN 0.067 nan 8.250 nan 0.000 0.438 405 I N 0.397 120.875 120.570 -0.153 0.000 2.127 405 I HA -0.327 3.843 4.170 -0.000 0.000 0.241 405 I C 2.122 178.138 176.117 -0.167 0.000 1.075 405 I CA 1.176 62.342 61.300 -0.223 0.000 1.334 405 I CB -0.334 37.429 38.000 -0.395 0.000 1.040 405 I HN 0.198 nan 8.210 nan 0.000 0.405 406 M N 0.406 119.896 119.600 -0.183 0.000 2.108 406 M HA -0.244 4.236 4.480 -0.000 0.000 0.261 406 M C 2.260 178.536 176.300 -0.040 0.000 1.066 406 M CA 1.692 56.916 55.300 -0.126 0.000 1.107 406 M CB -1.265 31.257 32.600 -0.130 0.000 1.356 406 M HN 0.217 nan 8.290 nan 0.000 0.406 407 K N -0.217 120.164 120.400 -0.031 0.000 2.009 407 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 407 K C 1.964 178.562 176.600 -0.003 0.000 1.049 407 K CA 1.762 58.046 56.287 -0.005 0.000 0.929 407 K CB -0.075 32.427 32.500 0.003 0.000 0.714 407 K HN 0.353 nan 8.250 nan 0.000 0.440 408 C N 0.928 120.220 119.300 -0.015 0.000 2.430 408 C HA 0.006 4.465 4.460 -0.000 0.000 0.288 408 C C 1.529 176.512 174.990 -0.011 0.000 1.448 408 C CA 0.295 59.305 59.018 -0.013 0.000 1.784 408 C CB -0.812 26.915 27.740 -0.022 0.000 1.776 408 C HN 0.412 nan 8.230 nan 0.000 0.547 409 L N 0.654 121.875 121.223 -0.004 0.000 3.094 409 L HA 0.198 4.538 4.340 -0.000 0.000 0.254 409 L C -0.240 176.675 176.870 0.076 0.000 1.298 409 L CA 0.018 54.881 54.840 0.038 0.000 1.050 409 L CB -0.518 41.573 42.059 0.053 0.000 1.420 409 L HN 0.222 nan 8.230 nan 0.000 0.548 410 D N -0.059 120.367 120.400 0.044 0.000 2.751 410 D HA -0.192 4.448 4.640 -0.000 0.000 0.233 410 D C 0.476 176.808 176.300 0.053 0.000 1.149 410 D CA 1.125 55.150 54.000 0.041 0.000 0.682 410 D CB -0.778 40.043 40.800 0.035 0.000 1.068 410 D HN 0.459 nan 8.370 nan 0.000 0.429 411 S N -1.495 114.240 115.700 0.060 0.000 2.921 411 S HA 0.620 5.090 4.470 -0.000 0.000 0.315 411 S C -0.273 174.352 174.600 0.041 0.000 1.087 411 S CA -0.515 57.726 58.200 0.067 0.000 0.877 411 S CB 1.849 65.125 63.200 0.127 0.000 1.340 411 S HN 0.011 nan 8.310 nan 0.000 0.622 412 E N 0.728 120.955 120.200 0.044 0.000 2.450 412 E HA 0.458 4.808 4.350 -0.000 0.000 0.248 412 E C -1.315 175.304 176.600 0.031 0.000 0.930 412 E CA -0.661 55.760 56.400 0.035 0.000 0.854 412 E CB 0.314 30.038 29.700 0.040 0.000 1.355 412 E HN 0.500 nan 8.360 nan 0.000 0.402 413 D N 0.224 120.648 120.400 0.040 0.000 2.399 413 D HA 0.089 4.728 4.640 -0.000 0.000 0.241 413 D C -0.270 176.083 176.300 0.089 0.000 1.133 413 D CA -0.056 53.977 54.000 0.054 0.000 0.890 413 D CB 0.700 41.538 40.800 0.063 0.000 1.201 413 D HN 0.002 nan 8.370 nan 0.000 0.432 414 V N 2.738 122.729 119.914 0.128 0.000 2.655 414 V HA 0.003 4.122 4.120 -0.000 0.000 0.300 414 V C 0.851 177.058 176.094 0.189 0.000 1.044 414 V CA 0.040 62.462 62.300 0.204 0.000 1.095 414 V CB 0.354 32.371 31.823 0.324 0.000 0.952 414 V HN 0.324 nan 8.190 nan 0.000 0.485 415 I N 3.972 124.610 120.570 0.114 0.000 2.307 415 I HA 0.176 4.346 4.170 -0.000 0.000 0.289 415 I C 0.476 176.525 176.117 -0.112 0.000 1.021 415 I CA -0.377 60.946 61.300 0.038 0.000 1.224 415 I CB 1.065 39.088 38.000 0.038 0.000 1.376 415 I HN 0.590 nan 8.210 nan 0.000 0.470 416 D N 6.646 126.910 120.400 -0.226 0.000 2.479 416 D HA -0.008 4.632 4.640 -0.000 0.000 0.253 416 D C 0.862 176.997 176.300 -0.275 0.000 1.278 416 D CA 0.181 53.873 54.000 -0.514 0.000 1.145 416 D CB 0.478 40.979 40.800 -0.499 0.000 1.118 416 D HN 0.713 nan 8.370 nan 0.000 0.513 417 G N 3.173 111.822 108.800 -0.253 0.000 4.084 417 G HA2 0.136 4.096 3.960 -0.000 0.000 0.293 417 G HA3 0.136 4.096 3.960 -0.000 0.000 0.293 417 G C 1.101 175.892 174.900 -0.183 0.000 1.303 417 G CA -0.344 44.655 45.100 -0.168 0.000 1.289 417 G HN 0.453 nan 8.290 nan 0.000 0.609 418 M N -0.812 118.671 119.600 -0.195 0.000 2.461 418 M HA 0.242 4.722 4.480 -0.000 0.000 0.255 418 M C 1.237 177.481 176.300 -0.093 0.000 1.137 418 M CA 0.356 55.561 55.300 -0.159 0.000 1.086 418 M CB 0.694 33.185 32.600 -0.181 0.000 1.356 418 M HN 0.018 nan 8.290 nan 0.000 0.487 419 R N 0.886 121.338 120.500 -0.079 0.000 3.463 419 R HA 0.243 4.583 4.340 -0.000 0.000 0.303 419 R C -2.173 174.107 176.300 -0.033 0.000 1.370 419 R CA -1.454 54.621 56.100 -0.043 0.000 1.524 419 R CB -0.204 30.078 30.300 -0.030 0.000 1.389 419 R HN -0.120 nan 8.270 nan 0.000 0.640 420 P HA -0.234 nan 4.420 nan 0.000 0.016 420 P C -0.719 176.573 177.300 -0.013 0.000 0.585 420 P CA 1.277 64.366 63.100 -0.018 0.000 1.032 420 P CB -0.373 31.324 31.700 -0.006 0.000 1.900 421 I N 0.043 120.602 120.570 -0.019 0.000 2.213 421 I HA 0.034 4.204 4.170 -0.000 0.000 0.295 421 I C 1.127 177.241 176.117 -0.006 0.000 1.172 421 I CA -0.555 60.740 61.300 -0.009 0.000 1.443 421 I CB -0.035 37.960 38.000 -0.009 0.000 1.491 421 I HN -0.078 nan 8.210 nan 0.000 0.652 422 E N 4.772 124.971 120.200 -0.001 0.000 2.037 422 E HA -0.129 4.221 4.350 -0.000 0.000 0.253 422 E C -0.087 176.517 176.600 0.007 0.000 1.265 422 E CA 0.276 56.678 56.400 0.004 0.000 0.972 422 E CB -0.167 29.537 29.700 0.007 0.000 1.054 422 E HN 0.421 nan 8.360 nan 0.000 0.432 423 N N 4.856 123.561 118.700 0.008 0.000 2.955 423 N HA 0.142 4.882 4.740 -0.000 0.000 0.242 423 N C 0.582 176.100 175.510 0.013 0.000 1.123 423 N CA -0.331 52.726 53.050 0.011 0.000 0.949 423 N CB -0.009 38.486 38.487 0.013 0.000 1.214 423 N HN 0.561 nan 8.380 nan 0.000 0.504 424 I N 0.836 121.414 120.570 0.013 0.000 2.450 424 I HA -0.336 3.834 4.170 -0.000 0.000 0.260 424 I C 1.451 177.577 176.117 0.014 0.000 1.145 424 I CA 1.084 62.392 61.300 0.013 0.000 1.413 424 I CB -0.349 37.658 38.000 0.011 0.000 1.090 424 I HN 0.520 nan 8.210 nan 0.000 0.445 425 A N 1.007 123.836 122.820 0.015 0.000 2.426 425 A HA 0.024 4.343 4.320 -0.000 0.000 0.247 425 A C 1.322 178.918 177.584 0.021 0.000 1.389 425 A CA 0.262 52.309 52.037 0.017 0.000 1.129 425 A CB -0.698 18.312 19.000 0.017 0.000 0.928 425 A HN 0.424 nan 8.150 nan 0.000 0.557 426 N N 0.577 119.290 118.700 0.022 0.000 2.517 426 N HA 0.179 4.919 4.740 -0.000 0.000 0.202 426 N C 1.811 177.336 175.510 0.025 0.000 1.042 426 N CA 1.227 54.294 53.050 0.028 0.000 0.952 426 N CB -0.714 37.791 38.487 0.030 0.000 1.211 426 N HN 0.528 nan 8.380 nan 0.000 0.458 427 A N 1.441 124.273 122.820 0.020 0.000 2.542 427 A HA -0.344 3.976 4.320 -0.000 0.000 0.365 427 A C 1.080 178.672 177.584 0.012 0.000 1.621 427 A CA 2.495 54.540 52.037 0.014 0.000 1.021 427 A CB -1.653 17.353 19.000 0.011 0.000 1.485 427 A HN 0.472 nan 8.150 nan 0.000 0.685 428 N N 0.707 119.416 118.700 0.014 0.000 2.458 428 N HA 0.326 5.066 4.740 -0.000 0.000 0.274 428 N C -0.770 174.758 175.510 0.030 0.000 1.242 428 N CA 0.179 53.236 53.050 0.012 0.000 0.904 428 N CB 0.064 38.554 38.487 0.004 0.000 1.206 428 N HN 0.610 nan 8.380 nan 0.000 0.510 429 K N 0.774 121.201 120.400 0.044 0.000 2.207 429 K HA 0.426 4.746 4.320 -0.000 0.000 0.255 429 K C -2.577 174.084 176.600 0.101 0.000 0.941 429 K CA -2.019 54.307 56.287 0.066 0.000 0.825 429 K CB 1.919 34.454 32.500 0.058 0.000 1.119 429 K HN 0.085 nan 8.250 nan 0.000 0.430 430 P HA 0.034 nan 4.420 nan 0.000 0.270 430 P C -0.600 176.872 177.300 0.287 0.000 1.242 430 P CA -0.221 63.011 63.100 0.221 0.000 0.768 430 P CB 0.518 32.277 31.700 0.098 0.000 0.820 431 V N 5.914 126.014 119.914 0.310 0.000 2.277 431 V HA 0.097 4.216 4.120 -0.000 0.000 0.269 431 V C 0.688 176.810 176.094 0.048 0.000 1.036 431 V CA -0.910 61.481 62.300 0.151 0.000 0.821 431 V CB 0.934 32.790 31.823 0.055 0.000 1.052 431 V HN 0.417 nan 8.190 nan 0.000 0.462 432 L N 6.696 127.828 121.223 -0.151 0.000 2.597 432 L HA 0.232 4.571 4.340 -0.000 0.000 0.271 432 L C 1.479 178.066 176.870 -0.471 0.000 1.157 432 L CA 0.744 55.221 54.840 -0.604 0.000 0.928 432 L CB 0.213 41.896 42.059 -0.627 0.000 1.216 432 L HN 0.453 nan 8.230 nan 0.000 0.481 433 R N 2.748 122.933 120.500 -0.524 0.000 2.210 433 R HA 0.241 4.581 4.340 -0.000 0.000 0.203 433 R C 0.260 176.317 176.300 -0.405 0.000 1.010 433 R CA 0.240 56.020 56.100 -0.534 0.000 1.008 433 R CB -0.640 29.025 30.300 -1.058 0.000 0.923 433 R HN 0.773 nan 8.270 nan 0.000 0.469 434 N N -0.351 118.121 118.700 -0.380 0.000 3.265 434 N HA 0.192 4.932 4.740 -0.000 0.000 0.235 434 N C -1.641 173.700 175.510 -0.281 0.000 1.343 434 N CA -0.417 52.479 53.050 -0.256 0.000 0.904 434 N CB 1.295 39.694 38.487 -0.147 0.000 1.492 434 N HN -0.154 nan 8.380 nan 0.000 0.504 435 I N 2.024 122.445 120.570 -0.249 0.000 2.608 435 I HA 0.537 4.707 4.170 -0.000 0.000 0.295 435 I C -0.488 175.456 176.117 -0.288 0.000 1.049 435 I CA -0.787 60.309 61.300 -0.342 0.000 1.063 435 I CB 2.203 40.021 38.000 -0.304 0.000 1.248 435 I HN 0.397 nan 8.210 nan 0.000 0.424 436 I N 5.413 125.767 120.570 -0.360 0.000 2.533 436 I HA 0.492 4.662 4.170 -0.000 0.000 0.290 436 I C -0.856 175.095 176.117 -0.277 0.000 1.056 436 I CA -0.840 60.297 61.300 -0.271 0.000 1.057 436 I CB 2.275 40.118 38.000 -0.262 0.000 1.240 436 I HN 0.132 nan 8.210 nan 0.000 0.423 437 V N 3.667 123.457 119.914 -0.207 0.000 2.769 437 V HA 0.488 4.608 4.120 -0.000 0.000 0.312 437 V C 0.329 176.316 176.094 -0.178 0.000 1.061 437 V CA -0.710 61.481 62.300 -0.181 0.000 0.931 437 V CB 1.854 33.591 31.823 -0.144 0.000 1.010 437 V HN 0.906 nan 8.190 nan 0.000 0.433 438 S N 1.822 117.426 115.700 -0.160 0.000 2.633 438 S HA 0.264 4.734 4.470 -0.000 0.000 0.257 438 S C 0.292 174.701 174.600 -0.319 0.000 1.265 438 S CA 0.046 58.085 58.200 -0.267 0.000 0.980 438 S CB 0.518 63.644 63.200 -0.123 0.000 1.017 438 S HN 0.914 nan 8.310 nan 0.000 0.577 439 N N -1.551 116.818 118.700 -0.551 0.000 2.423 439 N HA 0.169 4.909 4.740 -0.000 0.000 0.262 439 N C -0.309 175.035 175.510 -0.276 0.000 1.467 439 N CA -0.271 52.574 53.050 -0.342 0.000 0.847 439 N CB 0.194 38.503 38.487 -0.297 0.000 1.394 439 N HN 0.754 nan 8.380 nan 0.000 0.495 440 W N 0.347 121.673 121.300 0.043 0.000 2.425 440 W HA -0.088 4.572 4.660 -0.000 0.000 0.277 440 W C 2.647 179.203 176.519 0.062 0.000 1.231 440 W CA 1.351 58.737 57.345 0.067 0.000 1.248 440 W CB -0.194 29.322 29.460 0.094 0.000 1.117 440 W HN 0.194 nan 8.180 nan 0.000 0.568 441 T N -1.002 113.696 114.554 0.239 0.000 2.821 441 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 441 T C 1.652 176.403 174.700 0.085 0.000 1.046 441 T CA 1.145 63.339 62.100 0.157 0.000 1.139 441 T CB -0.291 68.648 68.868 0.118 0.000 0.871 441 T HN 0.180 nan 8.240 nan 0.000 0.454 442 R N 1.165 121.693 120.500 0.046 0.000 2.140 442 R HA 0.175 4.515 4.340 -0.000 0.000 0.213 442 R C 0.875 177.175 176.300 0.000 0.000 1.059 442 R CA 0.388 56.491 56.100 0.005 0.000 1.000 442 R CB -0.311 29.975 30.300 -0.024 0.000 0.910 442 R HN 0.360 nan 8.270 nan 0.000 0.455 443 D N 3.355 123.771 120.400 0.027 0.000 2.479 443 D HA -0.043 4.597 4.640 -0.000 0.000 0.257 443 D C -1.337 174.979 176.300 0.026 0.000 1.230 443 D CA -1.113 52.917 54.000 0.051 0.000 0.912 443 D CB 1.102 41.989 40.800 0.146 0.000 1.130 443 D HN 0.063 nan 8.370 nan 0.000 0.515 444 P HA -0.174 nan 4.420 nan 0.000 0.226 444 P C 0.602 177.759 177.300 -0.238 0.000 1.146 444 P CA 1.033 63.997 63.100 -0.226 0.000 0.773 444 P CB -0.118 31.357 31.700 -0.377 0.000 0.772 445 Y N -0.115 120.232 120.300 0.077 0.000 2.468 445 Y HA 0.071 4.621 4.550 -0.000 0.000 0.268 445 Y C 2.166 178.140 175.900 0.123 0.000 1.177 445 Y CA 0.375 58.531 58.100 0.093 0.000 1.265 445 Y CB 0.237 38.761 38.460 0.107 0.000 1.103 445 Y HN 0.146 nan 8.280 nan 0.000 0.522 446 S N -1.358 114.485 115.700 0.238 0.000 3.265 446 S HA 0.141 4.610 4.470 -0.000 0.000 0.259 446 S C 0.649 175.304 174.600 0.092 0.000 1.089 446 S CA -0.494 57.845 58.200 0.232 0.000 0.811 446 S CB 0.205 63.662 63.200 0.428 0.000 0.858 446 S HN 0.221 nan 8.310 nan 0.000 0.452 447 R N 2.280 122.825 120.500 0.076 0.000 3.251 447 R HA -0.000 4.340 4.340 -0.000 0.000 0.249 447 R C 0.523 176.794 176.300 -0.049 0.000 0.949 447 R CA 0.496 56.576 56.100 -0.034 0.000 0.645 447 R CB -2.221 27.983 30.300 -0.161 0.000 1.065 447 R HN 1.117 nan 8.270 nan 0.000 0.452 448 G N -2.323 106.602 108.800 0.208 0.000 2.334 448 G HA2 0.282 4.242 3.960 -0.000 0.000 0.315 448 G HA3 0.282 4.242 3.960 -0.000 0.000 0.315 448 G C 0.003 175.181 174.900 0.464 0.000 1.284 448 G CA -0.236 45.117 45.100 0.421 0.000 0.985 448 G HN 0.338 nan 8.290 nan 0.000 0.504 449 A N -1.320 121.653 122.820 0.254 0.000 1.938 449 A HA 0.773 5.093 4.320 -0.000 0.000 0.207 449 A C 0.464 178.003 177.584 -0.076 0.000 1.292 449 A CA 2.278 54.290 52.037 -0.042 0.000 0.700 449 A CB 0.002 18.849 19.000 -0.254 0.000 0.947 449 A HN 2.328 nan 8.150 nan 0.000 0.476 450 Y N -2.885 117.055 120.300 -0.601 0.000 2.786 450 Y HA 0.432 4.982 4.550 -0.000 0.000 0.365 450 Y C -0.233 174.839 175.900 -1.380 0.000 1.171 450 Y CA -1.324 56.256 58.100 -0.867 0.000 1.214 450 Y CB -0.210 38.043 38.460 -0.344 0.000 1.411 450 Y HN 0.205 nan 8.280 nan 0.000 0.485 451 S N 0.983 116.187 115.700 -0.827 0.000 2.702 451 S HA 0.490 4.960 4.470 -0.000 0.000 0.314 451 S C 0.154 174.601 174.600 -0.254 0.000 1.244 451 S CA 0.238 58.140 58.200 -0.497 0.000 1.058 451 S CB 0.118 63.258 63.200 -0.101 0.000 0.783 451 S HN 1.494 nan 8.310 nan 0.000 0.503 452 A N 2.466 125.109 122.820 -0.295 0.000 2.443 452 A HA 0.818 5.137 4.320 -0.000 0.000 0.278 452 A C -0.580 176.899 177.584 -0.174 0.000 1.252 452 A CA -0.884 51.051 52.037 -0.170 0.000 0.816 452 A CB 1.085 19.971 19.000 -0.191 0.000 1.369 452 A HN 0.980 nan 8.150 nan 0.000 0.446 453 C N -0.355 118.871 119.300 -0.123 0.000 2.498 453 C HA 0.680 5.140 4.460 -0.000 0.000 0.316 453 C C -0.494 174.573 174.990 0.129 0.000 1.209 453 C CA -0.531 58.440 59.018 -0.078 0.000 1.518 453 C CB -0.266 27.413 27.740 -0.102 0.000 2.147 453 C HN 0.619 nan 8.230 nan 0.000 0.483 454 F N 3.197 123.119 119.950 -0.047 0.000 2.470 454 F HA 0.465 4.992 4.527 -0.000 0.000 0.329 454 F C -1.401 174.374 175.800 -0.042 0.000 1.072 454 F CA -2.037 55.933 58.000 -0.051 0.000 0.989 454 F CB 1.817 40.792 39.000 -0.042 0.000 1.193 454 F HN 0.398 nan 8.300 nan 0.000 0.481 461 D N -0.429 119.971 120.400 0.001 0.000 2.449 461 D HA 0.197 4.837 4.640 -0.000 0.000 0.210 461 D C 1.788 178.097 176.300 0.015 0.000 1.094 461 D CA 0.127 54.131 54.000 0.007 0.000 0.846 461 D CB 0.841 41.646 40.800 0.008 0.000 1.003 461 D HN 0.209 nan 8.370 nan 0.000 0.504 462 M N 1.078 120.689 119.600 0.020 0.000 2.099 462 M HA -0.096 4.384 4.480 -0.000 0.000 0.262 462 M C 2.175 178.484 176.300 0.016 0.000 1.067 462 M CA 0.839 56.161 55.300 0.037 0.000 1.124 462 M CB -0.288 32.328 32.600 0.026 0.000 1.353 462 M HN -0.164 nan 8.290 nan 0.000 0.410 463 V N 0.003 119.922 119.914 0.008 0.000 2.250 463 V HA -0.320 3.800 4.120 -0.000 0.000 0.250 463 V C 2.535 178.628 176.094 -0.000 0.000 1.060 463 V CA 2.001 64.300 62.300 -0.002 0.000 1.030 463 V CB -1.116 30.707 31.823 0.001 0.000 0.643 463 V HN 0.275 nan 8.190 nan 0.000 0.445 464 V N 0.195 120.112 119.914 0.005 0.000 2.282 464 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 464 V C 2.704 178.802 176.094 0.006 0.000 1.057 464 V CA 2.294 64.598 62.300 0.007 0.000 1.032 464 V CB -1.319 30.508 31.823 0.006 0.000 0.645 464 V HN 0.593 nan 8.190 nan 0.000 0.447 465 A N -0.563 122.255 122.820 -0.004 0.000 1.877 465 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 465 A C 2.213 179.778 177.584 -0.032 0.000 1.186 465 A CA 2.143 54.167 52.037 -0.021 0.000 0.620 465 A CB -0.484 18.492 19.000 -0.040 0.000 0.822 465 A HN 0.420 nan 8.150 nan 0.000 0.443 466 M N 0.079 119.645 119.600 -0.057 0.000 2.296 466 M HA -0.057 4.423 4.480 -0.000 0.000 0.265 466 M C 2.206 178.555 176.300 0.081 0.000 1.064 466 M CA 1.448 56.712 55.300 -0.061 0.000 1.109 466 M CB -1.412 31.133 32.600 -0.091 0.000 1.396 466 M HN 0.418 nan 8.290 nan 0.000 0.430 467 S N 0.609 116.335 115.700 0.043 0.000 2.377 467 S HA -0.035 4.435 4.470 -0.000 0.000 0.223 467 S C 1.554 176.192 174.600 0.063 0.000 1.030 467 S CA 0.690 58.919 58.200 0.049 0.000 0.970 467 S CB -0.268 62.947 63.200 0.024 0.000 0.830 467 S HN 0.473 nan 8.310 nan 0.000 0.473 468 N N 1.503 120.239 118.700 0.059 0.000 2.421 468 N HA 0.091 4.830 4.740 -0.000 0.000 0.201 468 N C 0.911 176.478 175.510 0.095 0.000 1.198 468 N CA 0.498 53.583 53.050 0.059 0.000 0.838 468 N CB -0.462 38.048 38.487 0.038 0.000 1.011 468 N HN 0.385 nan 8.380 nan 0.000 0.463 469 G N 1.299 110.194 108.800 0.160 0.000 2.606 469 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.285 469 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.285 469 G C 0.215 175.274 174.900 0.265 0.000 1.311 469 G CA 0.589 45.835 45.100 0.243 0.000 0.922 469 G HN 0.495 nan 8.290 nan 0.000 0.559 470 Q N 0.348 120.284 119.800 0.226 0.000 2.217 470 Q HA 0.410 4.750 4.340 -0.000 0.000 0.217 470 Q C 0.503 176.559 176.000 0.092 0.000 0.844 470 Q CA 1.454 57.365 55.803 0.180 0.000 0.957 470 Q CB 0.253 29.101 28.738 0.182 0.000 1.127 470 Q HN 1.158 nan 8.270 nan 0.000 0.503 471 D N -3.917 116.532 120.400 0.082 0.000 3.180 471 D HA -0.117 4.523 4.640 -0.000 0.000 0.337 471 D C -0.065 176.281 176.300 0.076 0.000 1.444 471 D CA 0.357 54.396 54.000 0.064 0.000 0.767 471 D CB -0.838 39.993 40.800 0.051 0.000 1.344 471 D HN -0.084 nan 8.370 nan 0.000 0.469 472 S N -1.801 113.951 115.700 0.087 0.000 2.558 472 S HA 0.154 4.624 4.470 -0.000 0.000 0.217 472 S C 1.237 175.997 174.600 0.267 0.000 0.975 472 S CA 0.142 58.427 58.200 0.142 0.000 0.912 472 S CB -0.087 63.198 63.200 0.142 0.000 0.776 472 S HN 0.442 nan 8.310 nan 0.000 0.526 473 R N 0.690 121.286 120.500 0.159 0.000 2.121 473 R HA 0.392 4.731 4.340 -0.000 0.000 0.206 473 R C 0.322 176.688 176.300 0.110 0.000 1.094 473 R CA 0.256 56.436 56.100 0.133 0.000 1.055 473 R CB -0.344 29.909 30.300 -0.079 0.000 0.964 473 R HN 0.378 nan 8.270 nan 0.000 0.473 474 I N 3.433 124.023 120.570 0.033 0.000 2.371 474 I HA 0.232 4.402 4.170 -0.000 0.000 0.290 474 I C 0.374 176.416 176.117 -0.124 0.000 1.028 474 I CA -0.086 61.181 61.300 -0.055 0.000 1.345 474 I CB 0.508 38.495 38.000 -0.021 0.000 1.407 474 I HN -0.051 nan 8.210 nan 0.000 0.501 475 R N 5.297 125.640 120.500 -0.262 0.000 2.855 475 R HA 0.687 5.026 4.340 -0.000 0.000 0.266 475 R C -1.313 174.705 176.300 -0.471 0.000 1.034 475 R CA -0.835 55.137 56.100 -0.214 0.000 0.944 475 R CB 1.802 32.061 30.300 -0.067 0.000 1.219 475 R HN 0.294 nan 8.270 nan 0.000 0.474 476 F N -0.620 119.347 119.950 0.028 0.000 2.603 476 F HA 0.806 5.333 4.527 -0.000 0.000 0.317 476 F C 0.006 175.794 175.800 -0.020 0.000 1.066 476 F CA -0.748 57.269 58.000 0.028 0.000 0.941 476 F CB 2.357 41.381 39.000 0.041 0.000 1.291 476 F HN 0.662 nan 8.300 nan 0.000 0.472 477 A N 0.682 123.606 122.820 0.173 0.000 2.593 477 A HA 0.967 5.286 4.320 -0.000 0.000 0.290 477 A C -0.541 177.037 177.584 -0.010 0.000 1.126 477 A CA -0.307 51.754 52.037 0.041 0.000 0.695 477 A CB 1.690 20.707 19.000 0.028 0.000 1.290 477 A HN 1.756 nan 8.150 nan 0.000 0.414 478 G N -0.275 108.484 108.800 -0.067 0.000 2.334 478 G HA2 0.459 4.419 3.960 -0.000 0.000 0.566 478 G HA3 0.459 4.419 3.960 -0.000 0.000 0.566 478 G C -0.138 174.687 174.900 -0.125 0.000 1.413 478 G CA 0.439 45.507 45.100 -0.054 0.000 0.993 478 G HN 1.816 nan 8.290 nan 0.000 0.642 479 E N -0.332 119.895 120.200 0.044 0.000 2.510 479 E HA -0.123 4.226 4.350 -0.000 0.000 0.202 479 E C 1.360 177.982 176.600 0.036 0.000 1.072 479 E CA 2.197 58.611 56.400 0.023 0.000 0.883 479 E CB -0.304 29.415 29.700 0.030 0.000 0.818 479 E HN 0.851 nan 8.360 nan 0.000 0.548 480 H N -1.186 117.895 119.070 0.019 0.000 2.827 480 H HA 0.203 4.758 4.556 -0.000 0.000 0.269 480 H C 0.677 176.003 175.328 -0.003 0.000 1.031 480 H CA 0.746 56.793 56.048 -0.002 0.000 1.202 480 H CB -0.221 29.538 29.762 -0.005 0.000 1.511 480 H HN 0.229 nan 8.280 nan 0.000 0.517 481 T N -0.851 113.433 114.554 -0.450 0.000 3.273 481 T HA 0.462 4.812 4.350 -0.000 0.000 0.254 481 T C 0.327 174.967 174.700 -0.100 0.000 1.002 481 T CA -0.283 61.665 62.100 -0.253 0.000 0.913 481 T CB -0.658 68.058 68.868 -0.253 0.000 1.056 481 T HN 0.346 nan 8.240 nan 0.000 0.576 482 I N -0.428 120.102 120.570 -0.067 0.000 3.066 482 I HA 0.395 4.565 4.170 -0.000 0.000 0.307 482 I C 0.279 176.393 176.117 -0.006 0.000 1.366 482 I CA -1.082 60.205 61.300 -0.022 0.000 0.972 482 I CB 2.302 40.295 38.000 -0.010 0.000 1.307 482 I HN 0.076 nan 8.210 nan 0.000 0.470 483 M N 2.025 121.634 119.600 0.015 0.000 2.398 483 M HA 0.132 4.612 4.480 -0.000 0.000 0.261 483 M C 0.008 176.330 176.300 0.036 0.000 1.125 483 M CA 0.912 56.226 55.300 0.024 0.000 1.183 483 M CB 0.154 32.771 32.600 0.029 0.000 1.322 483 M HN 0.590 nan 8.290 nan 0.000 0.467 484 D N 0.790 121.231 120.400 0.067 0.000 2.342 484 D HA 0.298 4.937 4.640 -0.000 0.000 0.260 484 D C 0.550 176.911 176.300 0.100 0.000 1.278 484 D CA 1.507 55.585 54.000 0.130 0.000 0.910 484 D CB -0.039 40.869 40.800 0.179 0.000 1.079 484 D HN 0.664 nan 8.370 nan 0.000 0.496 485 G N 2.914 111.690 108.800 -0.040 0.000 2.131 485 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.223 485 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.223 485 G C 0.482 175.201 174.900 -0.301 0.000 0.990 485 G CA -0.064 44.703 45.100 -0.555 0.000 0.671 485 G HN 0.978 nan 8.290 nan 0.000 0.521 486 A N 0.014 122.769 122.820 -0.107 0.000 2.563 486 A HA 0.550 4.870 4.320 -0.000 0.000 0.256 486 A C 2.138 179.689 177.584 -0.055 0.000 1.056 486 A CA 2.182 54.189 52.037 -0.050 0.000 0.775 486 A CB -0.462 18.542 19.000 0.006 0.000 0.973 486 A HN 2.463 nan 8.150 nan 0.000 0.516 487 G N 1.021 109.779 108.800 -0.070 0.000 2.176 487 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.253 487 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.253 487 G C 0.272 175.023 174.900 -0.248 0.000 0.979 487 G CA 0.218 45.250 45.100 -0.113 0.000 0.641 487 G HN 1.185 nan 8.290 nan 0.000 0.530 488 C N -0.298 118.860 119.300 -0.237 0.000 2.470 488 C HA 0.824 5.283 4.460 -0.000 0.000 0.341 488 C C 2.204 177.070 174.990 -0.207 0.000 1.190 488 C CA 0.149 59.020 59.018 -0.245 0.000 1.904 488 C CB 1.276 28.833 27.740 -0.304 0.000 2.354 488 C HN 0.877 nan 8.230 nan 0.000 0.509 489 A N 1.227 123.980 122.820 -0.112 0.000 1.865 489 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 489 A C 1.861 179.524 177.584 0.132 0.000 1.191 489 A CA 2.461 54.488 52.037 -0.016 0.000 0.623 489 A CB -1.094 17.882 19.000 -0.039 0.000 0.826 489 A HN 1.126 nan 8.150 nan 0.000 0.444 490 Y N -0.106 120.284 120.300 0.149 0.000 2.193 490 Y HA -0.027 4.523 4.550 -0.000 0.000 0.285 490 Y C 2.198 178.249 175.900 0.250 0.000 1.166 490 Y CA 0.830 59.040 58.100 0.183 0.000 1.181 490 Y CB -1.417 37.109 38.460 0.110 0.000 0.976 490 Y HN 0.112 nan 8.280 nan 0.000 0.520 491 G N 0.808 109.458 108.800 -0.250 0.000 2.480 491 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.216 491 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.216 491 G C 1.933 176.872 174.900 0.065 0.000 1.200 491 G CA 1.837 46.856 45.100 -0.136 0.000 0.782 491 G HN 0.736 nan 8.290 nan 0.000 0.554 492 A N -0.099 122.751 122.820 0.049 0.000 1.892 492 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 492 A C 2.182 179.877 177.584 0.185 0.000 1.188 492 A CA 1.851 53.941 52.037 0.088 0.000 0.631 492 A CB -0.933 18.113 19.000 0.077 0.000 0.822 492 A HN 0.583 nan 8.150 nan 0.000 0.447 493 W N 0.888 122.232 121.300 0.073 0.000 2.321 493 W HA -0.225 4.435 4.660 -0.001 0.000 0.306 493 W C 2.139 178.714 176.519 0.094 0.000 1.217 493 W CA 2.219 59.627 57.345 0.105 0.000 1.257 493 W CB -0.181 29.373 29.460 0.156 0.000 1.145 493 W HN 0.526 nan 8.180 nan 0.000 0.509 494 E N -0.382 120.009 120.200 0.318 0.000 2.015 494 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 494 E C 2.396 178.998 176.600 0.003 0.000 0.991 494 E CA 2.065 58.545 56.400 0.133 0.000 0.802 494 E CB -0.741 29.101 29.700 0.238 0.000 0.759 494 E HN 0.316 nan 8.360 nan 0.000 0.447 495 S N 0.757 116.473 115.700 0.028 0.000 2.380 495 S HA -0.209 4.260 4.470 -0.000 0.000 0.229 495 S C 2.202 176.779 174.600 -0.039 0.000 1.043 495 S CA 1.350 59.545 58.200 -0.008 0.000 1.038 495 S CB -1.172 62.017 63.200 -0.018 0.000 0.872 495 S HN 0.357 nan 8.310 nan 0.000 0.456 496 G N 2.125 110.893 108.800 -0.053 0.000 2.480 496 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 496 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 496 G C 1.529 176.345 174.900 -0.140 0.000 1.200 496 G CA 0.875 45.924 45.100 -0.086 0.000 0.782 496 G HN 0.578 nan 8.290 nan 0.000 0.554 497 R N 0.497 120.858 120.500 -0.233 0.000 2.120 497 R HA -0.042 4.298 4.340 -0.000 0.000 0.234 497 R C 2.570 178.783 176.300 -0.146 0.000 1.123 497 R CA 1.401 57.353 56.100 -0.246 0.000 0.975 497 R CB -0.306 29.758 30.300 -0.394 0.000 0.866 497 R HN 0.385 nan 8.270 nan 0.000 0.446 498 R N 0.234 120.670 120.500 -0.105 0.000 2.096 498 R HA -0.129 4.210 4.340 -0.000 0.000 0.235 498 R C 1.347 177.607 176.300 -0.066 0.000 1.127 498 R CA 1.693 57.754 56.100 -0.065 0.000 0.968 498 R CB 0.041 30.321 30.300 -0.033 0.000 0.861 498 R HN 0.243 nan 8.270 nan 0.000 0.440 499 E N 0.101 120.259 120.200 -0.070 0.000 2.122 499 E HA -0.027 4.322 4.350 -0.000 0.000 0.190 499 E C 1.846 178.382 176.600 -0.106 0.000 0.977 499 E CA 0.990 57.344 56.400 -0.076 0.000 0.820 499 E CB -0.147 29.518 29.700 -0.058 0.000 0.770 499 E HN 0.434 nan 8.360 nan 0.000 0.462 500 A N 0.769 123.527 122.820 -0.104 0.000 1.969 500 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 500 A C 2.384 179.904 177.584 -0.106 0.000 1.169 500 A CA 1.953 53.926 52.037 -0.106 0.000 0.635 500 A CB -0.700 18.243 19.000 -0.096 0.000 0.810 500 A HN 0.243 nan 8.150 nan 0.000 0.445 501 T N -1.168 113.325 114.554 -0.101 0.000 2.851 501 T HA -0.089 4.260 4.350 -0.000 0.000 0.262 501 T C 2.112 176.754 174.700 -0.096 0.000 1.043 501 T CA 1.389 63.436 62.100 -0.088 0.000 1.140 501 T CB -0.240 68.582 68.868 -0.077 0.000 0.872 501 T HN 0.608 nan 8.240 nan 0.000 0.446 502 R N 0.309 120.746 120.500 -0.105 0.000 2.070 502 R HA -0.014 4.325 4.340 -0.000 0.000 0.233 502 R C 2.401 178.591 176.300 -0.183 0.000 1.137 502 R CA 1.724 57.752 56.100 -0.119 0.000 0.945 502 R CB -0.527 29.708 30.300 -0.108 0.000 0.845 502 R HN 0.415 nan 8.270 nan 0.000 0.430 503 I N 0.960 121.378 120.570 -0.254 0.000 2.118 503 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 503 I C 2.349 178.306 176.117 -0.267 0.000 1.070 503 I CA 1.690 62.746 61.300 -0.406 0.000 1.327 503 I CB -0.347 37.397 38.000 -0.427 0.000 1.034 503 I HN 0.278 nan 8.210 nan 0.000 0.405 504 S N 0.208 115.811 115.700 -0.161 0.000 2.380 504 S HA -0.299 4.171 4.470 -0.000 0.000 0.229 504 S C 1.787 176.337 174.600 -0.083 0.000 1.043 504 S CA 1.899 60.042 58.200 -0.095 0.000 1.038 504 S CB -0.517 62.644 63.200 -0.064 0.000 0.872 504 S HN 0.567 nan 8.310 nan 0.000 0.456 505 D N 1.283 121.628 120.400 -0.092 0.000 2.144 505 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 505 D C 1.894 178.156 176.300 -0.063 0.000 0.984 505 D CA 0.908 54.868 54.000 -0.067 0.000 0.834 505 D CB -0.117 40.644 40.800 -0.065 0.000 0.955 505 D HN 0.362 nan 8.370 nan 0.000 0.465 506 L N 0.481 121.642 121.223 -0.104 0.000 2.017 506 L HA -0.066 4.273 4.340 -0.000 0.000 0.208 506 L C 1.710 178.575 176.870 -0.008 0.000 1.073 506 L CA 0.528 55.328 54.840 -0.066 0.000 0.745 506 L CB -0.608 41.361 42.059 -0.150 0.000 0.894 506 L HN 0.046 nan 8.230 nan 0.000 0.432 507 L N 0.000 121.214 121.223 -0.015 0.000 2.949 507 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 507 L CA 0.000 54.857 54.840 0.028 0.000 0.813 507 L CB 0.000 42.077 42.059 0.029 0.000 0.961 507 L HN 0.000 nan 8.230 nan 0.000 0.502