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 1ad5_1_A DATA FIRST_RESID 82 DATA SEQUENCE EDIIVVALYD YEAIHHEDLS FQKGDQMVVL EESXGEWWKA RSLATRKEGY DATA SEQUENCE IPSNYVARVD SLETEEWFFK GISRKDAERQ LLAPGNMLGS FMIRDSETTK DATA SEQUENCE GSYSLSVRDY DPRQGDTVKH YKIRTLDNGG FYISPRSTFS TLQELVDHYK DATA SEQUENCE KGNDGLCQKL SVPCMSSKPQ KPWEXKDAWE IPRESLKLEK KLGAGQFGEV DATA SEQUENCE WMATYNKHTK VAVKTMKPGS MSVEAFLAEA NVMKTLQHDK LVKLHAVVTK DATA SEQUENCE EPIYIITEFM AKGSLLDFLK SDEGSKQPLP KLIDFSAQIA EGMAFIEQRN DATA SEQUENCE YIHRDLRAAN ILVSASLVCK IADFGLARVG XXXXXXXXXX AKFPIKWTAP DATA SEQUENCE EAINFGSFTI KSDVWSFGIL LMEIVTYGRI PYPGMSNPEV IRALERGYRM DATA SEQUENCE PRPENCPEEL YNIMMRCWKN RPEERPTFEY IQSVLDDFYT ATESQXQQQP 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 82 E HA 0.000 nan 4.350 nan 0.000 0.291 82 E C 0.000 176.592 176.600 -0.014 0.000 1.382 82 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 82 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 83 D N 0.258 120.649 120.400 -0.016 0.000 2.384 83 D HA 0.261 nan 4.640 nan 0.000 0.244 83 D C -0.789 175.498 176.300 -0.021 0.000 1.251 83 D CA -0.308 53.679 54.000 -0.022 0.000 0.961 83 D CB 0.614 41.400 40.800 -0.024 0.000 1.116 83 D HN 0.055 8.416 8.370 -0.014 0.000 0.484 84 I N -3.355 117.199 120.570 -0.027 0.000 2.395 84 I HA 0.197 nan 4.170 nan 0.000 0.289 84 I C -0.685 175.429 176.117 -0.005 0.000 1.023 84 I CA 0.004 61.294 61.300 -0.018 0.000 1.350 84 I CB 0.275 38.259 38.000 -0.027 0.000 1.409 84 I HN 0.288 8.476 8.210 -0.038 0.000 0.507 85 I N 4.440 125.010 120.570 0.000 0.000 2.474 85 I HA 0.848 nan 4.170 nan 0.000 0.294 85 I C -1.957 174.163 176.117 0.006 0.000 1.005 85 I CA -1.558 59.742 61.300 0.001 0.000 1.113 85 I CB 2.140 40.134 38.000 -0.009 0.000 1.289 85 I HN -0.129 8.080 8.210 -0.002 0.000 0.436 86 V N 1.966 121.884 119.914 0.007 0.000 2.919 86 V HA 0.846 nan 4.120 nan 0.000 0.316 86 V C -2.509 173.549 176.094 -0.060 0.000 1.077 86 V CA -3.100 59.198 62.300 -0.004 0.000 0.977 86 V CB 2.604 34.456 31.823 0.048 0.000 1.039 86 V HN 0.492 8.683 8.190 0.002 0.000 0.441 87 V N 1.241 121.102 119.914 -0.088 0.000 2.769 87 V HA 0.817 nan 4.120 nan 0.000 0.312 87 V C -2.022 173.979 176.094 -0.155 0.000 1.061 87 V CA -3.011 59.220 62.300 -0.115 0.000 0.931 87 V CB 4.564 36.329 31.823 -0.098 0.000 1.010 87 V HN 0.390 8.530 8.190 -0.084 0.000 0.433 88 A N 5.080 127.805 122.820 -0.158 0.000 2.354 88 A HA 0.591 nan 4.320 nan 0.000 0.281 88 A C -0.042 177.482 177.584 -0.099 0.000 1.174 88 A CA -0.747 51.222 52.037 -0.113 0.000 0.828 88 A CB 0.407 19.405 19.000 -0.003 0.000 1.099 88 A HN 0.353 8.422 8.150 -0.135 0.000 0.516 89 L N 2.775 123.865 121.223 -0.222 0.000 2.341 89 L HA -0.007 nan 4.340 nan 0.000 0.214 89 L C -0.575 175.872 176.870 -0.705 0.000 1.115 89 L CA 1.792 56.268 54.840 -0.606 0.000 0.820 89 L CB 0.405 41.851 42.059 -1.022 0.000 0.944 89 L HN 0.609 8.643 8.230 -0.150 0.106 0.452 90 Y N -4.905 115.495 120.300 0.167 0.000 2.576 90 Y HA 0.057 nan 4.550 nan 0.000 0.346 90 Y C -1.464 174.639 175.900 0.339 0.000 1.018 90 Y CA -1.743 56.468 58.100 0.185 0.000 1.050 90 Y CB 2.821 41.314 38.460 0.055 0.000 1.280 90 Y HN -0.925 7.465 8.280 0.240 0.035 0.474 91 D N 0.390 121.012 120.400 0.370 0.000 2.414 91 D HA -0.044 nan 4.640 nan 0.000 0.242 91 D C -1.600 174.825 176.300 0.207 0.000 1.129 91 D CA 0.599 54.742 54.000 0.239 0.000 0.885 91 D CB 0.592 41.470 40.800 0.130 0.000 1.198 91 D HN 0.008 8.571 8.370 0.323 0.000 0.437 92 Y N 1.419 121.525 120.300 -0.324 0.000 2.470 92 Y HA 0.113 nan 4.550 nan 0.000 0.341 92 Y C -2.387 173.220 175.900 -0.488 0.000 1.021 92 Y CA -1.555 56.198 58.100 -0.579 0.000 1.025 92 Y CB 4.444 42.031 38.460 -1.454 0.000 1.266 92 Y HN 0.506 8.561 8.280 -0.205 0.101 0.448 93 E N 5.650 125.238 120.200 -1.020 0.000 2.114 93 E HA 0.291 nan 4.350 nan 0.000 0.266 93 E C -1.599 174.410 176.600 -0.985 0.000 0.896 93 E CA -2.592 53.370 56.400 -0.729 0.000 0.750 93 E CB -0.030 29.389 29.700 -0.467 0.000 1.121 93 E HN 0.341 7.882 8.360 -1.364 0.000 0.413 94 A N 4.369 126.822 122.820 -0.611 0.000 2.511 94 A HA -0.016 nan 4.320 nan 0.000 0.242 94 A C -0.600 176.716 177.584 -0.447 0.000 1.069 94 A CA 0.736 52.546 52.037 -0.379 0.000 0.763 94 A CB 0.659 19.601 19.000 -0.098 0.000 1.001 94 A HN 0.612 8.522 8.150 -0.401 0.000 0.498 95 I N 2.124 122.397 120.570 -0.495 0.000 4.263 95 I HA 0.156 nan 4.170 nan 0.000 0.335 95 I C -1.681 174.042 176.117 -0.657 0.000 1.389 95 I CA -0.362 60.532 61.300 -0.678 0.000 1.156 95 I CB 1.326 38.891 38.000 -0.726 0.000 1.510 95 I HN -0.015 8.328 8.210 -0.382 -0.363 0.566 96 H N -1.979 117.006 119.070 -0.143 0.000 3.038 96 H HA 0.333 nan 4.556 nan 0.000 0.289 96 H C 0.614 175.843 175.328 -0.163 0.000 1.510 96 H CA -1.457 54.484 56.048 -0.178 0.000 1.227 96 H CB 2.343 32.003 29.762 -0.171 0.000 1.880 96 H HN -0.653 7.670 8.280 -0.230 -0.181 0.594 97 H N -0.042 119.055 119.070 0.045 0.000 2.436 97 H HA -0.099 nan 4.556 nan 0.000 0.294 97 H C 0.621 175.961 175.328 0.020 0.000 1.048 97 H CA 2.379 58.432 56.048 0.009 0.000 1.353 97 H CB 0.524 30.281 29.762 -0.009 0.000 1.414 97 H HN 0.518 8.847 8.280 0.081 0.000 0.536 98 E N -2.906 117.393 120.200 0.165 0.000 2.660 98 E HA 0.184 nan 4.350 nan 0.000 0.216 98 E C -1.414 175.292 176.600 0.176 0.000 0.986 98 E CA -0.919 55.577 56.400 0.160 0.000 1.037 98 E CB 0.524 30.357 29.700 0.222 0.000 1.041 98 E HN 0.042 8.473 8.360 0.118 0.000 0.480 99 D N -1.256 119.234 120.400 0.150 0.000 2.312 99 D HA 0.316 nan 4.640 nan 0.000 0.248 99 D C -0.530 175.920 176.300 0.251 0.000 1.086 99 D CA -0.886 53.252 54.000 0.231 0.000 0.948 99 D CB 1.136 42.077 40.800 0.235 0.000 1.162 99 D HN -0.653 7.787 8.370 0.116 0.000 0.446 100 L N -1.205 120.225 121.223 0.345 0.000 2.295 100 L HA 0.192 nan 4.340 nan 0.000 0.285 100 L C -0.569 176.527 176.870 0.377 0.000 1.035 100 L CA -0.913 54.112 54.840 0.309 0.000 0.806 100 L CB 1.128 43.378 42.059 0.318 0.000 1.214 100 L HN 0.266 8.765 8.230 0.447 0.000 0.426 101 S N 2.132 117.946 115.700 0.190 0.000 2.593 101 S HA 0.202 nan 4.470 nan 0.000 0.269 101 S C -1.314 173.440 174.600 0.256 0.000 1.334 101 S CA 1.342 59.580 58.200 0.064 0.000 1.015 101 S CB 0.799 63.968 63.200 -0.051 0.000 0.912 101 S HN 0.247 8.631 8.310 0.123 0.000 0.541 102 F N -2.889 117.166 119.950 0.176 0.000 2.773 102 F HA 0.437 nan 4.527 nan 0.000 0.314 102 F C -2.353 173.528 175.800 0.136 0.000 1.160 102 F CA -1.338 56.745 58.000 0.138 0.000 0.920 102 F CB 1.330 40.414 39.000 0.141 0.000 1.323 102 F HN 0.310 8.411 8.300 -0.332 0.000 0.457 103 Q N -1.471 118.563 119.800 0.389 0.000 2.385 103 Q HA 0.555 nan 4.340 nan 0.000 0.262 103 Q C -0.475 175.703 176.000 0.297 0.000 1.050 103 Q CA -2.281 53.675 55.803 0.254 0.000 0.903 103 Q CB 2.983 31.809 28.738 0.146 0.000 1.325 103 Q HN -0.064 8.696 8.270 0.416 -0.241 0.485 104 K N 0.109 120.618 120.400 0.181 0.000 2.270 104 K HA -0.301 nan 4.320 nan 0.000 0.276 104 K C 0.732 177.365 176.600 0.056 0.000 1.023 104 K CA 1.007 57.357 56.287 0.106 0.000 0.955 104 K CB 0.578 33.112 32.500 0.056 0.000 0.975 104 K HN -0.253 8.252 8.250 0.145 -0.168 0.471 105 G N 5.673 114.477 108.800 0.006 0.000 2.225 105 G HA2 -0.448 nan 3.960 nan 0.000 0.254 105 G HA3 -0.448 nan 3.960 nan 0.000 0.254 105 G C -0.383 174.515 174.900 -0.003 0.000 0.988 105 G CA 0.013 45.106 45.100 -0.011 0.000 0.625 105 G HN 0.501 8.780 8.290 -0.018 0.000 0.527 106 D N 1.526 121.940 120.400 0.023 0.000 2.414 106 D HA 0.062 nan 4.640 nan 0.000 0.242 106 D C -1.450 174.828 176.300 -0.037 0.000 1.129 106 D CA 1.248 55.260 54.000 0.020 0.000 0.885 106 D CB 0.729 41.576 40.800 0.079 0.000 1.198 106 D HN -0.614 7.686 8.370 0.055 0.103 0.437 107 Q N -0.434 119.346 119.800 -0.033 0.000 2.399 107 Q HA 0.945 nan 4.340 nan 0.000 0.276 107 Q C -0.866 175.104 176.000 -0.050 0.000 1.098 107 Q CA -1.248 54.524 55.803 -0.051 0.000 0.827 107 Q CB 3.984 32.703 28.738 -0.033 0.000 1.386 107 Q HN 0.283 8.547 8.270 -0.011 0.000 0.443 108 M N -4.653 114.915 119.600 -0.054 0.000 2.534 108 M HA 0.665 nan 4.480 nan 0.000 0.280 108 M C -1.995 174.298 176.300 -0.013 0.000 1.217 108 M CA -0.744 54.536 55.300 -0.035 0.000 0.893 108 M CB 4.165 36.732 32.600 -0.056 0.000 1.730 108 M HN 0.369 8.625 8.290 -0.057 0.000 0.483 109 V N 0.605 120.517 119.914 -0.003 0.000 2.498 109 V HA 0.584 nan 4.120 nan 0.000 0.279 109 V C -0.507 175.594 176.094 0.011 0.000 1.048 109 V CA -0.161 62.139 62.300 -0.001 0.000 0.967 109 V CB -0.510 31.308 31.823 -0.008 0.000 0.988 109 V HN 0.325 8.512 8.190 -0.004 0.000 0.473 110 V N 4.763 124.683 119.914 0.010 0.000 2.439 110 V HA 0.660 nan 4.120 nan 0.000 0.282 110 V C -1.047 175.021 176.094 -0.045 0.000 1.039 110 V CA -1.290 61.017 62.300 0.011 0.000 0.913 110 V CB 0.695 32.517 31.823 -0.001 0.000 0.983 110 V HN 0.387 8.576 8.190 -0.001 0.000 0.460 111 L N 5.748 126.950 121.223 -0.035 0.000 2.425 111 L HA 0.338 nan 4.340 nan 0.000 0.215 111 L C 0.701 177.526 176.870 -0.075 0.000 1.065 111 L CA 1.260 56.069 54.840 -0.053 0.000 0.842 111 L CB 1.030 43.064 42.059 -0.042 0.000 1.033 111 L HN 0.861 9.092 8.230 0.000 0.000 0.474 112 E N -2.484 117.670 120.200 -0.075 0.000 2.331 112 E HA 0.164 nan 4.350 nan 0.000 0.275 112 E C -1.626 174.822 176.600 -0.254 0.000 0.895 112 E CA -0.928 55.414 56.400 -0.097 0.000 0.753 112 E CB 3.217 32.936 29.700 0.032 0.000 1.216 112 E HN -0.868 7.471 8.360 -0.035 0.000 0.434 113 E N 2.794 122.759 120.200 -0.392 0.000 2.341 113 E HA 0.172 nan 4.350 nan 0.000 0.279 113 E C -0.727 175.823 176.600 -0.083 0.000 1.395 113 E CA -1.332 54.643 56.400 -0.707 0.000 1.648 113 E CB -0.741 28.592 29.700 -0.612 0.000 1.524 113 E HN 0.389 8.595 8.360 -0.258 0.000 0.462 117 E N 2.948 123.220 120.200 0.121 0.000 2.299 117 E HA 0.096 nan 4.350 nan 0.000 0.193 117 E C -0.832 175.593 176.600 -0.292 0.000 0.998 117 E CA -0.142 56.193 56.400 -0.109 0.000 0.851 117 E CB 1.174 30.814 29.700 -0.099 0.000 0.795 117 E HN -0.047 8.416 8.360 0.171 0.000 0.492 118 W N -1.408 119.930 121.300 0.064 0.000 2.600 118 W HA 0.205 nan 4.660 nan 0.000 0.325 118 W C -1.478 175.275 176.519 0.391 0.000 1.034 118 W CA -1.323 56.080 57.345 0.098 0.000 1.226 118 W CB 2.205 31.665 29.460 -0.001 0.000 1.379 118 W HN -0.875 7.459 8.180 0.333 0.046 0.466 119 W N 1.940 123.471 121.300 0.385 0.000 2.647 119 W HA 0.444 nan 4.660 nan 0.000 0.353 119 W C -1.487 175.237 176.519 0.343 0.000 1.080 119 W CA -3.292 54.231 57.345 0.296 0.000 1.208 119 W CB 3.114 32.663 29.460 0.148 0.000 1.396 119 W HN 0.887 9.256 8.180 0.490 0.105 0.573 120 K N 0.493 121.132 120.400 0.398 0.000 2.185 120 K HA 0.667 nan 4.320 nan 0.000 0.269 120 K C -1.786 174.858 176.600 0.073 0.000 0.987 120 K CA -1.062 55.269 56.287 0.072 0.000 0.865 120 K CB 2.205 34.623 32.500 -0.138 0.000 1.090 120 K HN 0.024 8.471 8.250 0.327 0.000 0.450 121 A N 4.643 127.486 122.820 0.038 0.000 2.569 121 A HA 0.818 nan 4.320 nan 0.000 0.290 121 A C -2.861 174.727 177.584 0.007 0.000 1.136 121 A CA -1.571 50.489 52.037 0.039 0.000 0.710 121 A CB 4.357 23.396 19.000 0.065 0.000 1.303 121 A HN 1.119 9.270 8.150 0.002 0.000 0.413 122 R N -0.498 120.005 120.500 0.004 0.000 2.343 122 R HA 0.498 nan 4.340 nan 0.000 0.320 122 R C -1.163 175.142 176.300 0.009 0.000 0.956 122 R CA -1.920 54.182 56.100 0.003 0.000 0.836 122 R CB 2.511 32.808 30.300 -0.004 0.000 1.151 122 R HN 0.190 8.463 8.270 0.006 0.000 0.450 123 S N 5.916 121.631 115.700 0.024 0.000 2.505 123 S HA 0.125 nan 4.470 nan 0.000 0.276 123 S C 0.442 175.054 174.600 0.020 0.000 1.274 123 S CA -0.620 57.596 58.200 0.027 0.000 1.053 123 S CB 0.805 64.046 63.200 0.067 0.000 0.919 123 S HN 0.570 8.900 8.310 0.033 0.000 0.490 124 L N 8.994 130.223 121.223 0.010 0.000 2.201 124 L HA -0.187 nan 4.340 nan 0.000 0.212 124 L C 0.902 177.783 176.870 0.018 0.000 1.105 124 L CA 2.222 57.068 54.840 0.009 0.000 0.775 124 L CB -0.662 41.398 42.059 0.002 0.000 0.913 124 L HN 0.611 8.842 8.230 0.001 0.000 0.440 125 A N -1.946 120.891 122.820 0.029 0.000 1.897 125 A HA -0.136 nan 4.320 nan 0.000 0.215 125 A C 0.744 178.352 177.584 0.039 0.000 1.181 125 A CA 2.500 54.559 52.037 0.037 0.000 0.620 125 A CB 0.102 19.136 19.000 0.057 0.000 0.821 125 A HN -0.063 8.080 8.150 0.030 0.025 0.443 126 T N -7.575 107.006 114.554 0.046 0.000 3.001 126 T HA 0.276 nan 4.350 nan 0.000 0.251 126 T C 0.756 175.474 174.700 0.030 0.000 1.040 126 T CA -0.887 61.238 62.100 0.042 0.000 0.985 126 T CB 1.037 69.939 68.868 0.056 0.000 1.011 126 T HN -0.554 7.717 8.240 0.052 0.000 0.509 127 R N -2.400 118.116 120.500 0.026 0.000 4.000 127 R HA -0.359 nan 4.340 nan 0.000 0.362 127 R C -0.828 175.481 176.300 0.016 0.000 1.183 127 R CA 0.880 56.990 56.100 0.016 0.000 1.011 127 R CB -2.979 27.328 30.300 0.012 0.000 1.501 127 R HN 0.300 8.506 8.270 0.027 0.080 0.553 128 K N 0.129 120.545 120.400 0.026 0.000 2.144 128 K HA 0.062 nan 4.320 nan 0.000 0.270 128 K C -0.980 175.631 176.600 0.017 0.000 1.005 128 K CA -0.517 55.785 56.287 0.025 0.000 0.932 128 K CB 1.006 33.532 32.500 0.043 0.000 1.021 128 K HN -0.633 7.582 8.250 0.036 0.057 0.462 129 E N 0.949 121.147 120.200 -0.003 0.000 2.166 129 E HA 0.538 nan 4.350 nan 0.000 0.275 129 E C -0.595 175.972 176.600 -0.055 0.000 0.941 129 E CA -0.595 55.787 56.400 -0.030 0.000 0.784 129 E CB 2.357 32.029 29.700 -0.046 0.000 1.115 129 E HN 0.147 8.504 8.360 -0.006 0.000 0.399 130 G N 0.819 109.563 108.800 -0.094 0.000 2.335 130 G HA2 0.172 nan 3.960 nan 0.000 0.291 130 G HA3 0.172 nan 3.960 nan 0.000 0.291 130 G C -2.864 171.932 174.900 -0.173 0.000 1.261 130 G CA 0.729 45.733 45.100 -0.160 0.000 0.871 130 G HN 0.343 8.589 8.290 -0.074 0.000 0.491 131 Y N -2.277 118.097 120.300 0.124 0.000 2.335 131 Y HA 0.801 nan 4.550 nan 0.000 0.323 131 Y C -1.272 174.845 175.900 0.361 0.000 1.224 131 Y CA 0.075 58.298 58.100 0.205 0.000 1.241 131 Y CB 2.491 40.975 38.460 0.040 0.000 1.235 131 Y HN 0.032 8.398 8.280 0.143 0.000 0.492 132 I N -0.027 120.943 120.570 0.667 0.000 2.722 132 I HA 0.420 nan 4.170 nan 0.000 0.295 132 I C -2.807 173.433 176.117 0.205 0.000 1.161 132 I CA -4.081 57.465 61.300 0.411 0.000 1.032 132 I CB 4.758 42.893 38.000 0.226 0.000 1.244 132 I HN 0.724 9.405 8.210 0.785 0.000 0.421 133 P HA 0.354 nan 4.420 nan 0.000 0.287 133 P C 0.105 177.191 177.300 -0.357 0.000 1.307 133 P CA -0.814 61.926 63.100 -0.600 0.000 0.777 133 P CB -0.305 30.810 31.700 -0.975 0.000 0.883 134 S N 7.290 122.657 115.700 -0.556 0.000 2.372 134 S HA -0.479 nan 4.470 nan 0.000 0.227 134 S C 1.117 175.422 174.600 -0.491 0.000 1.044 134 S CA 3.913 61.591 58.200 -0.871 0.000 1.050 134 S CB -0.382 62.187 63.200 -1.053 0.000 0.901 134 S HN 0.517 8.368 8.310 -0.588 0.106 0.447 135 N N -0.796 117.754 118.700 -0.250 0.000 2.515 135 N HA -0.177 nan 4.740 nan 0.000 0.191 135 N C 0.261 175.785 175.510 0.023 0.000 1.182 135 N CA 0.975 53.957 53.050 -0.113 0.000 0.879 135 N CB -0.995 37.429 38.487 -0.105 0.000 0.984 135 N HN 0.248 8.459 8.380 -0.247 0.021 0.453 136 Y N -2.132 118.132 120.300 -0.059 0.000 2.510 136 Y HA -0.047 nan 4.550 nan 0.000 0.273 136 Y C -0.863 175.053 175.900 0.027 0.000 1.119 136 Y CA 2.192 60.404 58.100 0.187 0.000 1.286 136 Y CB 1.194 39.819 38.460 0.276 0.000 1.061 136 Y HN -0.361 7.834 8.280 0.174 0.189 0.542 137 V N -8.000 111.905 119.914 -0.014 0.000 3.126 137 V HA 0.794 nan 4.120 nan 0.000 0.314 137 V C -1.697 174.320 176.094 -0.128 0.000 1.138 137 V CA -3.329 58.897 62.300 -0.123 0.000 1.034 137 V CB 3.777 35.497 31.823 -0.171 0.000 1.075 137 V HN -0.718 7.383 8.190 -0.062 0.052 0.442 138 A N -0.326 122.433 122.820 -0.102 0.000 2.594 138 A HA 0.490 nan 4.320 nan 0.000 0.295 138 A C -1.729 175.839 177.584 -0.027 0.000 1.071 138 A CA -0.720 51.281 52.037 -0.060 0.000 0.685 138 A CB 3.378 22.322 19.000 -0.093 0.000 1.285 138 A HN 0.066 8.149 8.150 -0.112 0.000 0.405 139 R N 0.632 121.142 120.500 0.017 0.000 2.585 139 R HA -0.101 nan 4.340 nan 0.000 0.275 139 R C -0.008 176.273 176.300 -0.032 0.000 1.018 139 R CA 0.693 56.800 56.100 0.011 0.000 1.072 139 R CB 0.511 30.826 30.300 0.025 0.000 0.953 139 R HN 0.500 8.795 8.270 0.041 0.000 0.419 140 V N 2.861 122.754 119.914 -0.034 0.000 2.720 140 V HA -0.288 nan 4.120 nan 0.000 0.307 140 V C -0.230 175.830 176.094 -0.057 0.000 1.071 140 V CA 1.745 64.014 62.300 -0.051 0.000 1.199 140 V CB 0.281 32.081 31.823 -0.038 0.000 0.900 140 V HN -0.319 7.859 8.190 -0.019 0.000 0.494 141 D N 5.339 125.692 120.400 -0.078 0.000 2.692 141 D HA -0.233 nan 4.640 nan 0.000 0.233 141 D C -0.834 175.413 176.300 -0.089 0.000 1.172 141 D CA 1.374 55.324 54.000 -0.085 0.000 0.636 141 D CB -1.052 39.716 40.800 -0.054 0.000 1.028 141 D HN 0.352 8.670 8.370 -0.088 0.000 0.419 142 S N -3.565 112.066 115.700 -0.115 0.000 2.758 142 S HA 0.158 nan 4.470 nan 0.000 0.292 142 S C 1.366 175.835 174.600 -0.219 0.000 1.131 142 S CA -0.902 57.224 58.200 -0.123 0.000 0.997 142 S CB 2.676 65.818 63.200 -0.096 0.000 1.111 142 S HN -0.780 7.451 8.310 -0.126 0.004 0.552 143 L N -1.313 119.748 121.223 -0.268 0.000 2.051 143 L HA -0.221 nan 4.340 nan 0.000 0.214 143 L C 1.579 178.053 176.870 -0.660 0.000 1.076 143 L CA 3.069 57.593 54.840 -0.526 0.000 0.758 143 L CB -0.596 41.140 42.059 -0.537 0.000 0.890 143 L HN 0.296 8.414 8.230 -0.187 0.000 0.433 144 E N -3.359 116.615 120.200 -0.377 0.000 2.347 144 E HA -0.195 nan 4.350 nan 0.000 0.196 144 E C 1.308 177.743 176.600 -0.274 0.000 1.008 144 E CA 1.625 57.891 56.400 -0.223 0.000 0.852 144 E CB -0.376 29.257 29.700 -0.113 0.000 0.783 144 E HN -0.437 7.733 8.360 -0.272 0.026 0.505 145 T N -0.393 113.974 114.554 -0.311 0.000 3.035 145 T HA -0.053 nan 4.350 nan 0.000 0.268 145 T C 0.367 174.825 174.700 -0.402 0.000 1.109 145 T CA 1.785 63.700 62.100 -0.308 0.000 1.119 145 T CB 0.001 68.727 68.868 -0.237 0.000 0.900 145 T HN -0.441 7.442 8.240 -0.309 0.172 0.503 146 E N 0.264 120.123 120.200 -0.570 0.000 2.277 146 E HA 0.224 nan 4.350 nan 0.000 0.274 146 E C 0.828 176.939 176.600 -0.815 0.000 1.022 146 E CA -1.073 54.848 56.400 -0.798 0.000 0.853 146 E CB 0.929 29.834 29.700 -1.325 0.000 1.086 146 E HN -0.820 7.132 8.360 -0.582 0.059 0.397 147 E N 4.656 124.464 120.200 -0.655 0.000 2.209 147 E HA -0.263 nan 4.350 nan 0.000 0.196 147 E C 0.553 176.947 176.600 -0.342 0.000 0.993 147 E CA 2.880 59.035 56.400 -0.409 0.000 0.819 147 E CB -0.307 29.291 29.700 -0.170 0.000 0.745 147 E HN 0.659 8.681 8.360 -0.563 0.000 0.477 148 W N -8.161 113.072 121.300 -0.111 0.000 3.278 148 W HA 0.096 nan 4.660 nan 0.000 0.308 148 W C -1.160 175.385 176.519 0.044 0.000 1.253 148 W CA -2.856 54.470 57.345 -0.032 0.000 1.759 148 W CB -0.039 29.458 29.460 0.061 0.000 1.093 148 W HN -0.561 6.934 8.180 -1.057 0.051 0.648 149 F N 2.294 122.048 119.950 -0.327 0.000 2.408 149 F HA 0.326 nan 4.527 nan 0.000 0.344 149 F C -1.775 173.755 175.800 -0.451 0.000 1.112 149 F CA -0.468 57.444 58.000 -0.145 0.000 1.096 149 F CB 1.591 40.345 39.000 -0.411 0.000 1.129 149 F HN -0.474 7.349 8.300 -0.540 0.153 0.486 150 F N 8.581 128.066 119.950 -0.775 0.000 2.382 150 F HA 0.168 nan 4.527 nan 0.000 0.361 150 F C -1.637 173.806 175.800 -0.595 0.000 1.109 150 F CA -1.308 56.407 58.000 -0.475 0.000 1.031 150 F CB 2.130 40.952 39.000 -0.297 0.000 1.234 150 F HN 0.878 8.724 8.300 -0.756 0.000 0.445 151 K N 5.415 125.731 120.400 -0.140 0.000 2.379 151 K HA -0.123 nan 4.320 nan 0.000 0.284 151 K C 0.765 177.379 176.600 0.025 0.000 1.044 151 K CA -0.110 56.207 56.287 0.049 0.000 0.974 151 K CB -0.158 32.436 32.500 0.157 0.000 0.962 151 K HN 0.316 8.524 8.250 -0.070 0.000 0.474 152 G N 6.802 115.626 108.800 0.040 0.000 2.249 152 G HA2 -0.321 nan 3.960 nan 0.000 0.273 152 G HA3 -0.321 nan 3.960 nan 0.000 0.273 152 G C -0.326 174.571 174.900 -0.006 0.000 1.036 152 G CA 0.393 45.510 45.100 0.029 0.000 0.824 152 G HN 0.072 8.622 8.290 0.066 -0.220 0.504 153 I N 1.962 122.519 120.570 -0.022 0.000 2.396 153 I HA 0.115 nan 4.170 nan 0.000 0.292 153 I C -0.457 175.633 176.117 -0.045 0.000 0.999 153 I CA -2.210 59.066 61.300 -0.040 0.000 1.310 153 I CB 0.527 38.499 38.000 -0.045 0.000 1.404 153 I HN -0.670 7.495 8.210 -0.035 0.025 0.496 154 S N 5.385 121.054 115.700 -0.052 0.000 2.592 154 S HA 0.172 nan 4.470 nan 0.000 0.271 154 S C 1.128 175.682 174.600 -0.077 0.000 1.326 154 S CA -0.865 57.303 58.200 -0.053 0.000 1.024 154 S CB 1.741 64.916 63.200 -0.042 0.000 0.921 154 S HN 0.372 8.648 8.310 -0.057 0.000 0.527 155 R N 3.774 124.206 120.500 -0.113 0.000 2.119 155 R HA -0.378 nan 4.340 nan 0.000 0.246 155 R C 1.863 178.101 176.300 -0.102 0.000 1.146 155 R CA 3.865 59.846 56.100 -0.198 0.000 0.962 155 R CB -0.299 29.821 30.300 -0.301 0.000 0.863 155 R HN 0.780 9.111 8.270 -0.105 -0.124 0.442 156 K N -2.945 117.418 120.400 -0.063 0.000 2.076 156 K HA -0.175 nan 4.320 nan 0.000 0.204 156 K C 2.247 178.829 176.600 -0.029 0.000 1.051 156 K CA 2.446 58.720 56.287 -0.022 0.000 0.949 156 K CB -0.703 31.788 32.500 -0.015 0.000 0.726 156 K HN -0.133 8.064 8.250 -0.067 0.012 0.443 157 D N 0.021 120.392 120.400 -0.048 0.000 2.218 157 D HA -0.221 nan 4.640 nan 0.000 0.204 157 D C 2.076 178.329 176.300 -0.079 0.000 0.976 157 D CA 3.210 57.173 54.000 -0.062 0.000 0.853 157 D CB -0.282 40.474 40.800 -0.074 0.000 0.939 157 D HN -0.550 7.789 8.370 -0.051 0.000 0.481 158 A N -0.320 122.454 122.820 -0.076 0.000 1.877 158 A HA -0.317 nan 4.320 nan 0.000 0.216 158 A C 1.938 179.478 177.584 -0.073 0.000 1.186 158 A CA 3.416 55.392 52.037 -0.101 0.000 0.620 158 A CB -0.733 18.240 19.000 -0.045 0.000 0.822 158 A HN 0.284 8.383 8.150 -0.065 0.012 0.443 159 E N -1.554 118.648 120.200 0.003 0.000 2.077 159 E HA -0.416 nan 4.350 nan 0.000 0.193 159 E C 2.754 179.322 176.600 -0.053 0.000 0.989 159 E CA 3.225 59.618 56.400 -0.011 0.000 0.800 159 E CB -0.236 29.478 29.700 0.023 0.000 0.746 159 E HN -0.502 7.794 8.360 0.031 0.082 0.452 160 R N -1.126 119.343 120.500 -0.052 0.000 2.081 160 R HA -0.341 nan 4.340 nan 0.000 0.235 160 R C 2.735 178.991 176.300 -0.074 0.000 1.131 160 R CA 3.242 59.307 56.100 -0.057 0.000 0.960 160 R CB -0.127 30.146 30.300 -0.045 0.000 0.856 160 R HN 0.051 8.221 8.270 -0.043 0.074 0.436 161 Q N -1.781 117.958 119.800 -0.102 0.000 2.119 161 Q HA -0.235 nan 4.340 nan 0.000 0.201 161 Q C 2.882 178.797 176.000 -0.143 0.000 0.972 161 Q CA 2.955 58.680 55.803 -0.130 0.000 0.847 161 Q CB 0.066 28.687 28.738 -0.195 0.000 0.903 161 Q HN -0.161 8.038 8.270 -0.104 0.008 0.433 162 L N -1.244 119.887 121.223 -0.153 0.000 2.217 162 L HA -0.169 nan 4.340 nan 0.000 0.211 162 L C 1.389 178.207 176.870 -0.087 0.000 1.107 162 L CA 2.651 57.410 54.840 -0.135 0.000 0.783 162 L CB 0.491 42.471 42.059 -0.131 0.000 0.919 162 L HN 0.033 8.173 8.230 -0.150 0.000 0.442 163 L N -3.850 117.326 121.223 -0.078 0.000 2.591 163 L HA -0.063 nan 4.340 nan 0.000 0.228 163 L C -0.078 176.761 176.870 -0.052 0.000 1.133 163 L CA -0.529 54.272 54.840 -0.065 0.000 0.880 163 L CB -0.554 41.461 42.059 -0.073 0.000 1.033 163 L HN -0.288 7.793 8.230 -0.084 0.099 0.450 164 A N -0.198 122.591 122.820 -0.051 0.000 2.406 164 A HA 0.170 nan 4.320 nan 0.000 0.243 164 A C -1.953 175.617 177.584 -0.023 0.000 1.082 164 A CA -2.018 49.998 52.037 -0.035 0.000 0.786 164 A CB -0.769 18.207 19.000 -0.039 0.000 1.029 164 A HN -0.741 7.182 8.150 -0.064 0.189 0.495 165 P HA -0.173 nan 4.420 nan 0.000 0.264 165 P C -0.277 177.024 177.300 0.002 0.000 1.179 165 P CA 1.758 64.858 63.100 -0.000 0.000 0.763 165 P CB 0.257 31.961 31.700 0.007 0.000 0.806 166 G N 1.776 110.581 108.800 0.008 0.000 2.259 166 G HA2 -0.281 nan 3.960 nan 0.000 0.217 166 G HA3 -0.281 nan 3.960 nan 0.000 0.217 166 G C -0.427 174.481 174.900 0.013 0.000 1.001 166 G CA -0.399 44.709 45.100 0.013 0.000 0.627 166 G HN 0.334 8.630 8.290 0.010 0.000 0.501 167 N N 1.369 120.071 118.700 0.003 0.000 2.463 167 N HA 0.252 nan 4.740 nan 0.000 0.270 167 N C -1.322 174.199 175.510 0.018 0.000 1.205 167 N CA 0.024 53.076 53.050 0.004 0.000 0.974 167 N CB 1.512 39.986 38.487 -0.021 0.000 1.197 167 N HN -0.487 7.806 8.380 -0.003 0.085 0.504 168 M N -3.868 115.752 119.600 0.032 0.000 3.372 168 M HA 0.276 nan 4.480 nan 0.000 0.292 168 M C -1.272 175.061 176.300 0.054 0.000 1.391 168 M CA -1.161 54.164 55.300 0.043 0.000 0.786 168 M CB 1.461 34.087 32.600 0.044 0.000 1.798 168 M HN 0.363 8.676 8.290 0.038 0.000 0.442 169 L N -0.285 120.974 121.223 0.059 0.000 2.525 169 L HA -0.365 nan 4.340 nan 0.000 0.278 169 L C 1.525 178.435 176.870 0.067 0.000 1.218 169 L CA 2.117 56.994 54.840 0.062 0.000 0.878 169 L CB -1.403 40.686 42.059 0.049 0.000 1.127 169 L HN 0.199 8.462 8.230 0.055 0.000 0.492 170 G N 3.198 112.040 108.800 0.070 0.000 2.234 170 G HA2 -0.487 nan 3.960 nan 0.000 0.260 170 G HA3 -0.487 nan 3.960 nan 0.000 0.260 170 G C 0.575 175.585 174.900 0.184 0.000 0.987 170 G CA 0.240 45.392 45.100 0.087 0.000 0.625 170 G HN 1.000 9.327 8.290 0.062 0.000 0.532 171 S N 4.004 119.798 115.700 0.157 0.000 2.563 171 S HA 0.113 nan 4.470 nan 0.000 0.294 171 S C -1.013 173.709 174.600 0.204 0.000 1.279 171 S CA 2.752 61.053 58.200 0.168 0.000 1.069 171 S CB 0.152 63.380 63.200 0.047 0.000 0.828 171 S HN -0.358 7.926 8.310 0.104 0.088 0.497 172 F N 0.139 120.094 119.950 0.009 0.000 2.790 172 F HA 1.074 nan 4.527 nan 0.000 0.337 172 F C -2.662 173.157 175.800 0.031 0.000 1.163 172 F CA -2.326 55.674 58.000 -0.001 0.000 0.997 172 F CB 3.301 42.300 39.000 -0.002 0.000 1.437 172 F HN 0.485 8.755 8.300 -0.049 0.000 0.512 173 M N -6.747 112.878 119.600 0.043 0.000 2.694 173 M HA 0.600 nan 4.480 nan 0.000 0.276 173 M C -2.404 174.041 176.300 0.241 0.000 1.167 173 M CA 0.076 55.417 55.300 0.068 0.000 0.849 173 M CB 4.218 36.681 32.600 -0.229 0.000 1.705 173 M HN 0.001 8.464 8.290 0.289 0.000 0.504 174 I N -0.182 120.583 120.570 0.325 0.000 2.646 174 I HA 0.920 nan 4.170 nan 0.000 0.299 174 I C -1.669 174.434 176.117 -0.023 0.000 1.036 174 I CA -1.365 60.070 61.300 0.226 0.000 1.074 174 I CB 3.210 41.396 38.000 0.310 0.000 1.258 174 I HN 0.837 9.339 8.210 0.486 0.000 0.430 175 R N 1.054 121.476 120.500 -0.129 0.000 2.741 175 R HA 0.538 nan 4.340 nan 0.000 0.274 175 R C -2.063 174.230 176.300 -0.012 0.000 1.029 175 R CA -1.333 54.514 56.100 -0.422 0.000 0.880 175 R CB 2.398 32.585 30.300 -0.190 0.000 1.264 175 R HN 0.536 8.842 8.270 0.059 0.000 0.465 176 D N 0.188 120.624 120.400 0.059 0.000 2.390 176 D HA 0.080 nan 4.640 nan 0.000 0.249 176 D C -0.455 175.955 176.300 0.183 0.000 1.144 176 D CA 0.966 55.171 54.000 0.341 0.000 0.880 176 D CB 0.134 41.100 40.800 0.278 0.000 1.182 176 D HN -0.093 8.191 8.370 -0.144 0.000 0.451 177 S N 2.368 118.181 115.700 0.188 0.000 2.531 177 S HA -0.054 nan 4.470 nan 0.000 0.279 177 S C 0.290 174.919 174.600 0.048 0.000 1.305 177 S CA 0.101 58.351 58.200 0.082 0.000 1.058 177 S CB 0.986 64.221 63.200 0.058 0.000 0.899 177 S HN -0.059 8.400 8.310 0.249 0.000 0.493 178 E N 7.203 127.409 120.200 0.010 0.000 2.170 178 E HA -0.098 nan 4.350 nan 0.000 0.191 178 E C 1.057 177.659 176.600 0.002 0.000 0.981 178 E CA 2.612 59.013 56.400 0.002 0.000 0.830 178 E CB 0.273 29.955 29.700 -0.029 0.000 0.775 178 E HN 0.662 9.015 8.360 -0.012 0.000 0.470 179 T N -4.172 110.378 114.554 -0.006 0.000 2.988 179 T HA 0.156 nan 4.350 nan 0.000 0.240 179 T C 1.310 176.013 174.700 0.005 0.000 1.014 179 T CA 1.178 63.276 62.100 -0.003 0.000 1.155 179 T CB 0.035 68.895 68.868 -0.014 0.000 0.872 179 T HN -0.280 7.951 8.240 -0.015 0.000 0.440 180 T N 6.770 121.327 114.554 0.005 0.000 3.455 180 T HA 0.103 nan 4.350 nan 0.000 0.286 180 T C -0.779 173.925 174.700 0.007 0.000 1.157 180 T CA 0.055 62.159 62.100 0.007 0.000 1.090 180 T CB -1.237 67.635 68.868 0.006 0.000 1.112 180 T HN -0.197 8.044 8.240 0.001 0.000 0.779 181 K N 5.074 125.481 120.400 0.013 0.000 2.518 181 K HA -0.258 nan 4.320 nan 0.000 0.276 181 K C 1.882 178.481 176.600 -0.002 0.000 0.974 181 K CA 0.297 56.595 56.287 0.018 0.000 0.986 181 K CB 0.047 32.563 32.500 0.026 0.000 0.901 181 K HN -0.267 7.958 8.250 0.015 0.034 0.497 182 G N 2.773 111.572 108.800 -0.001 0.000 2.189 182 G HA2 -0.407 nan 3.960 nan 0.000 0.267 182 G HA3 -0.407 nan 3.960 nan 0.000 0.267 182 G C -0.486 174.289 174.900 -0.209 0.000 0.975 182 G CA 1.026 46.100 45.100 -0.043 0.000 0.644 182 G HN 0.753 9.063 8.290 0.033 0.000 0.537 183 S N 0.113 115.680 115.700 -0.222 0.000 2.801 183 S HA 0.581 nan 4.470 nan 0.000 0.312 183 S C -1.649 172.702 174.600 -0.414 0.000 1.112 183 S CA -1.304 56.676 58.200 -0.367 0.000 0.943 183 S CB 2.380 65.517 63.200 -0.105 0.000 1.269 183 S HN -0.742 7.422 8.310 -0.103 0.084 0.558 184 Y N -1.682 118.673 120.300 0.092 0.000 2.662 184 Y HA 0.671 nan 4.550 nan 0.000 0.335 184 Y C -1.043 174.895 175.900 0.063 0.000 1.066 184 Y CA -1.507 56.648 58.100 0.091 0.000 1.116 184 Y CB 3.257 41.771 38.460 0.089 0.000 1.308 184 Y HN -0.479 7.766 8.280 -0.057 0.000 0.502 185 S N -2.329 113.523 115.700 0.252 0.000 2.588 185 S HA 0.760 nan 4.470 nan 0.000 0.275 185 S C -2.524 172.169 174.600 0.154 0.000 1.130 185 S CA -0.931 57.361 58.200 0.154 0.000 0.855 185 S CB 3.699 66.951 63.200 0.087 0.000 1.116 185 S HN 0.496 8.974 8.310 0.279 0.000 0.472 186 L N 1.138 122.456 121.223 0.158 0.000 2.346 186 L HA 0.841 nan 4.340 nan 0.000 0.276 186 L C -2.180 174.812 176.870 0.203 0.000 1.006 186 L CA -1.396 53.541 54.840 0.162 0.000 0.817 186 L CB 2.819 44.938 42.059 0.100 0.000 1.272 186 L HN 0.685 9.015 8.230 0.167 0.000 0.421 187 S N 6.000 121.807 115.700 0.178 0.000 2.513 187 S HA 0.724 nan 4.470 nan 0.000 0.299 187 S C -1.987 172.662 174.600 0.082 0.000 1.087 187 S CA -0.961 57.307 58.200 0.113 0.000 1.012 187 S CB 2.275 65.553 63.200 0.131 0.000 1.044 187 S HN 0.590 9.007 8.310 0.177 0.000 0.485 188 V N 1.724 121.648 119.914 0.016 0.000 2.686 188 V HA 0.388 nan 4.120 nan 0.000 0.306 188 V C -1.196 174.896 176.094 -0.003 0.000 1.065 188 V CA -1.313 61.023 62.300 0.059 0.000 0.894 188 V CB 2.861 34.734 31.823 0.082 0.000 1.004 188 V HN 0.535 8.673 8.190 -0.088 0.000 0.424 189 R N 5.284 125.794 120.500 0.017 0.000 2.345 189 R HA 0.001 nan 4.340 nan 0.000 0.331 189 R C -1.238 175.077 176.300 0.024 0.000 1.067 189 R CA 0.219 56.319 56.100 -0.001 0.000 0.962 189 R CB -0.057 30.250 30.300 0.011 0.000 0.987 189 R HN 0.345 8.648 8.270 0.055 0.000 0.451 190 D N 5.249 125.656 120.400 0.012 0.000 2.564 190 D HA 0.158 nan 4.640 nan 0.000 0.273 190 D C -2.025 174.336 176.300 0.102 0.000 1.192 190 D CA -1.924 52.105 54.000 0.049 0.000 1.080 190 D CB 2.539 43.352 40.800 0.022 0.000 1.160 190 D HN -0.137 8.109 8.370 -0.024 0.109 0.607 191 Y N -1.348 118.937 120.300 -0.025 0.000 2.479 191 Y HA 0.256 nan 4.550 nan 0.000 0.338 191 Y C -2.404 173.481 175.900 -0.024 0.000 1.055 191 Y CA -0.947 57.137 58.100 -0.026 0.000 1.023 191 Y CB 3.987 42.436 38.460 -0.020 0.000 1.287 191 Y HN 0.045 8.430 8.280 0.174 0.000 0.447 192 D N 5.507 126.029 120.400 0.203 0.000 2.375 192 D HA 0.420 nan 4.640 nan 0.000 0.241 192 D C -1.706 174.659 176.300 0.108 0.000 1.361 192 D CA -1.756 52.336 54.000 0.152 0.000 0.995 192 D CB 1.485 42.307 40.800 0.037 0.000 1.312 192 D HN 0.159 8.467 8.370 -0.103 0.000 0.576 193 P HA -0.369 nan 4.420 nan 0.000 0.222 193 P C 1.165 178.559 177.300 0.156 0.000 1.157 193 P CA 2.844 66.138 63.100 0.324 0.000 0.905 193 P CB 0.383 32.191 31.700 0.180 0.000 0.792 194 R N -1.161 119.363 120.500 0.041 0.000 2.062 194 R HA -0.117 nan 4.340 nan 0.000 0.231 194 R C 1.127 177.377 176.300 -0.083 0.000 1.136 194 R CA 1.246 57.341 56.100 -0.009 0.000 0.948 194 R CB -0.793 29.503 30.300 -0.008 0.000 0.845 194 R HN -0.218 8.029 8.270 0.041 0.047 0.430 195 Q N 0.434 120.154 119.800 -0.133 0.000 2.259 195 Q HA 0.152 nan 4.340 nan 0.000 0.246 195 Q C -0.130 175.637 176.000 -0.389 0.000 0.920 195 Q CA -1.545 54.130 55.803 -0.214 0.000 0.895 195 Q CB 0.912 29.534 28.738 -0.194 0.000 1.220 195 Q HN -0.445 7.762 8.270 -0.105 0.000 0.439 196 G N 2.078 110.588 108.800 -0.484 0.000 2.632 196 G HA2 -0.255 nan 3.960 nan 0.000 0.183 196 G HA3 -0.255 nan 3.960 nan 0.000 0.183 196 G C -0.914 173.389 174.900 -0.994 0.000 1.592 196 G CA 0.518 45.064 45.100 -0.924 0.000 0.880 196 G HN 0.273 8.358 8.290 -0.342 0.000 0.399 197 D N 0.039 120.137 120.400 -0.504 0.000 2.341 197 D HA 0.107 nan 4.640 nan 0.000 0.245 197 D C -0.413 175.773 176.300 -0.190 0.000 1.106 197 D CA 1.262 55.118 54.000 -0.240 0.000 0.905 197 D CB 1.076 41.817 40.800 -0.099 0.000 1.202 197 D HN -0.115 8.030 8.370 -0.375 0.000 0.426 198 T N -2.541 111.942 114.554 -0.119 0.000 2.773 198 T HA 0.311 nan 4.350 nan 0.000 0.278 198 T C -1.708 172.926 174.700 -0.111 0.000 1.011 198 T CA -2.453 59.578 62.100 -0.115 0.000 1.014 198 T CB 3.018 71.828 68.868 -0.096 0.000 1.293 198 T HN 0.071 8.135 8.240 -0.070 0.134 0.554 199 V N -0.010 119.813 119.914 -0.152 0.000 2.623 199 V HA 0.476 nan 4.120 nan 0.000 0.304 199 V C -1.173 174.693 176.094 -0.380 0.000 1.054 199 V CA -0.581 61.578 62.300 -0.234 0.000 0.882 199 V CB 1.605 33.282 31.823 -0.242 0.000 1.002 199 V HN 0.202 8.304 8.190 -0.147 0.000 0.424 200 K N 4.916 125.085 120.400 -0.385 0.000 2.208 200 K HA 0.554 nan 4.320 nan 0.000 0.247 200 K C -1.662 174.573 176.600 -0.608 0.000 0.953 200 K CA -2.010 54.010 56.287 -0.446 0.000 0.837 200 K CB 3.544 35.881 32.500 -0.271 0.000 1.131 200 K HN 0.093 8.185 8.250 -0.264 0.000 0.431 201 H N -0.230 118.616 119.070 -0.373 0.000 2.600 201 H HA 0.711 nan 4.556 nan 0.000 0.357 201 H C -1.040 173.967 175.328 -0.534 0.000 1.106 201 H CA -1.294 54.583 56.048 -0.286 0.000 1.193 201 H CB 3.162 32.834 29.762 -0.151 0.000 1.594 201 H HN 0.392 8.423 8.280 -0.414 0.000 0.526 202 Y N 0.746 121.073 120.300 0.045 0.000 2.364 202 Y HA 0.262 nan 4.550 nan 0.000 0.340 202 Y C -1.166 174.734 175.900 -0.001 0.000 0.975 202 Y CA -1.643 56.448 58.100 -0.014 0.000 1.089 202 Y CB 2.016 40.423 38.460 -0.088 0.000 1.192 202 Y HN 0.821 9.218 8.280 0.195 0.000 0.454 203 K N 3.008 123.461 120.400 0.089 0.000 2.295 203 K HA 0.324 nan 4.320 nan 0.000 0.270 203 K C -0.484 176.142 176.600 0.042 0.000 1.011 203 K CA 0.001 56.316 56.287 0.047 0.000 0.953 203 K CB 0.813 33.317 32.500 0.008 0.000 0.956 203 K HN 0.422 8.715 8.250 0.072 0.000 0.477 204 I N 3.677 124.279 120.570 0.053 0.000 2.509 204 I HA 0.229 nan 4.170 nan 0.000 0.293 204 I C -1.000 175.145 176.117 0.048 0.000 1.020 204 I CA -1.209 60.126 61.300 0.057 0.000 1.088 204 I CB 2.584 40.671 38.000 0.146 0.000 1.267 204 I HN 0.095 8.345 8.210 0.067 0.000 0.430 205 R N 5.453 125.969 120.500 0.026 0.000 2.711 205 R HA 0.495 nan 4.340 nan 0.000 0.284 205 R C -1.612 174.863 176.300 0.293 0.000 0.968 205 R CA -2.652 53.505 56.100 0.095 0.000 0.924 205 R CB 2.479 32.799 30.300 0.032 0.000 1.162 205 R HN -0.188 8.060 8.270 -0.037 0.000 0.465 206 T N 2.796 117.491 114.554 0.236 0.000 2.840 206 T HA 0.436 nan 4.350 nan 0.000 0.287 206 T C -1.081 173.689 174.700 0.116 0.000 0.991 206 T CA -0.120 62.123 62.100 0.238 0.000 0.964 206 T CB 1.310 70.322 68.868 0.241 0.000 0.954 206 T HN 0.209 8.539 8.240 0.151 0.000 0.438 207 L N 6.620 127.877 121.223 0.056 0.000 2.546 207 L HA 0.508 nan 4.340 nan 0.000 0.185 207 L C -0.853 176.021 176.870 0.007 0.000 1.247 207 L CA 0.877 55.738 54.840 0.035 0.000 0.848 207 L CB 1.714 43.786 42.059 0.022 0.000 1.133 207 L HN 0.537 8.772 8.230 0.008 0.000 0.504 208 D N -2.394 117.992 120.400 -0.024 0.000 2.711 208 D HA -0.053 nan 4.640 nan 0.000 0.204 208 D C -1.452 174.819 176.300 -0.048 0.000 1.257 208 D CA 0.138 54.125 54.000 -0.022 0.000 0.808 208 D CB 1.193 41.987 40.800 -0.010 0.000 1.780 208 D HN -0.121 8.221 8.370 -0.046 0.000 0.537 209 N N 1.141 119.814 118.700 -0.044 0.000 2.608 209 N HA 0.035 nan 4.740 nan 0.000 0.273 209 N C 0.575 176.018 175.510 -0.113 0.000 1.133 209 N CA 2.090 55.108 53.050 -0.054 0.000 0.726 209 N CB -1.865 36.601 38.487 -0.035 0.000 0.890 209 N HN 0.894 9.260 8.380 -0.024 0.000 0.548 210 G N -0.785 107.904 108.800 -0.185 0.000 2.553 210 G HA2 -0.311 nan 3.960 nan 0.000 0.242 210 G HA3 -0.311 nan 3.960 nan 0.000 0.242 210 G C -1.050 173.522 174.900 -0.547 0.000 1.277 210 G CA -0.507 44.346 45.100 -0.411 0.000 0.910 210 G HN -0.009 8.198 8.290 -0.138 0.000 0.576 211 G N 0.197 108.662 108.800 -0.558 0.000 2.940 211 G HA2 -0.353 nan 3.960 nan 0.000 0.273 211 G HA3 -0.353 nan 3.960 nan 0.000 0.273 211 G C -1.457 173.294 174.900 -0.249 0.000 1.030 211 G CA -0.202 44.716 45.100 -0.303 0.000 1.066 211 G HN -0.146 7.839 8.290 -0.509 0.000 0.466 212 F N 3.754 123.884 119.950 0.301 0.000 2.556 212 F HA 0.866 nan 4.527 nan 0.000 0.314 212 F C -1.779 174.325 175.800 0.507 0.000 1.106 212 F CA -2.091 56.133 58.000 0.374 0.000 0.911 212 F CB 2.729 41.921 39.000 0.318 0.000 1.190 212 F HN 0.052 8.432 8.300 0.133 0.000 0.448 213 Y N -2.464 118.068 120.300 0.387 0.000 2.713 213 Y HA 0.570 nan 4.550 nan 0.000 0.335 213 Y C -2.639 173.421 175.900 0.267 0.000 1.222 213 Y CA -1.682 56.610 58.100 0.320 0.000 1.061 213 Y CB 1.387 39.954 38.460 0.179 0.000 1.314 213 Y HN -0.175 8.406 8.280 0.502 0.000 0.453 214 I N -0.157 120.490 120.570 0.128 0.000 4.049 214 I HA 0.213 nan 4.170 nan 0.000 0.237 214 I C -0.114 176.055 176.117 0.087 0.000 1.076 214 I CA 0.406 61.697 61.300 -0.016 0.000 1.610 214 I CB 1.607 39.626 38.000 0.030 0.000 1.544 214 I HN 0.387 8.825 8.210 0.380 0.000 0.458 215 S N 0.602 116.450 115.700 0.248 0.000 2.439 215 S HA 0.398 nan 4.470 nan 0.000 0.282 215 S C -1.623 173.186 174.600 0.348 0.000 1.170 215 S CA -1.722 56.637 58.200 0.265 0.000 1.054 215 S CB 0.793 64.115 63.200 0.203 0.000 0.956 215 S HN -0.278 8.203 8.310 0.285 0.000 0.490 216 P HA -0.041 nan 4.420 nan 0.000 0.226 216 P C 0.003 177.309 177.300 0.010 0.000 1.146 216 P CA 1.506 64.681 63.100 0.125 0.000 0.773 216 P CB 0.044 31.755 31.700 0.018 0.000 0.772 217 R N -4.167 116.369 120.500 0.059 0.000 2.200 217 R HA -0.148 nan 4.340 nan 0.000 0.234 217 R C 0.353 176.638 176.300 -0.025 0.000 1.127 217 R CA 1.436 57.549 56.100 0.021 0.000 0.989 217 R CB -0.129 30.205 30.300 0.057 0.000 0.869 217 R HN 0.087 8.345 8.270 0.114 0.081 0.459 218 S N -1.414 114.271 115.700 -0.025 0.000 2.736 218 S HA 0.284 nan 4.470 nan 0.000 0.285 218 S C -2.050 172.337 174.600 -0.354 0.000 1.163 218 S CA -0.323 57.758 58.200 -0.199 0.000 1.025 218 S CB 2.441 65.646 63.200 0.009 0.000 1.030 218 S HN -0.387 7.918 8.310 0.063 0.043 0.486 219 T N 3.499 117.693 114.554 -0.600 0.000 2.885 219 T HA 0.774 nan 4.350 nan 0.000 0.285 219 T C -0.948 173.332 174.700 -0.701 0.000 1.019 219 T CA -1.027 60.804 62.100 -0.448 0.000 1.010 219 T CB 1.399 70.107 68.868 -0.267 0.000 1.022 219 T HN -0.225 7.655 8.240 -0.600 0.000 0.466 220 F N 1.307 121.340 119.950 0.138 0.000 2.685 220 F HA 0.441 nan 4.527 nan 0.000 0.315 220 F C -0.449 175.440 175.800 0.149 0.000 1.126 220 F CA -1.076 57.009 58.000 0.141 0.000 0.950 220 F CB 3.840 42.955 39.000 0.192 0.000 1.360 220 F HN 0.454 8.893 8.300 0.231 0.000 0.469 221 S N -1.489 114.430 115.700 0.365 0.000 2.830 221 S HA 0.051 nan 4.470 nan 0.000 0.249 221 S C -0.085 174.760 174.600 0.407 0.000 1.084 221 S CA 0.954 59.315 58.200 0.268 0.000 0.852 221 S CB 1.102 64.377 63.200 0.125 0.000 0.802 221 S HN 0.306 8.841 8.310 0.374 0.000 0.481 222 T N 6.175 120.915 114.554 0.310 0.000 3.416 222 T HA 0.037 nan 4.350 nan 0.000 0.247 222 T C 0.566 175.345 174.700 0.131 0.000 0.973 222 T CA 0.228 62.452 62.100 0.208 0.000 1.166 222 T CB -1.740 67.220 68.868 0.153 0.000 1.040 222 T HN -0.092 8.323 8.240 0.291 0.000 0.746 223 L N 5.095 126.413 121.223 0.158 0.000 2.043 223 L HA -0.487 nan 4.340 nan 0.000 0.212 223 L C 1.458 178.208 176.870 -0.199 0.000 1.075 223 L CA 4.281 59.103 54.840 -0.030 0.000 0.752 223 L CB -0.396 41.639 42.059 -0.040 0.000 0.891 223 L HN -0.393 7.962 8.230 0.260 0.032 0.432 224 Q N -2.857 116.934 119.800 -0.016 0.000 2.135 224 Q HA -0.418 nan 4.340 nan 0.000 0.204 224 Q C 2.354 178.272 176.000 -0.136 0.000 0.981 224 Q CA 3.391 59.193 55.803 -0.002 0.000 0.856 224 Q CB -0.700 28.145 28.738 0.178 0.000 0.902 224 Q HN 0.167 8.503 8.270 0.116 0.004 0.425 225 E N -0.272 119.824 120.200 -0.174 0.000 2.152 225 E HA -0.183 nan 4.350 nan 0.000 0.192 225 E C 2.151 178.398 176.600 -0.588 0.000 0.983 225 E CA 2.192 58.430 56.400 -0.270 0.000 0.818 225 E CB -0.978 28.618 29.700 -0.174 0.000 0.758 225 E HN -0.283 7.862 8.360 -0.120 0.143 0.467 226 L N -0.068 120.639 121.223 -0.861 0.000 1.990 226 L HA -0.402 nan 4.340 nan 0.000 0.213 226 L C 2.119 178.760 176.870 -0.381 0.000 1.072 226 L CA 3.406 57.706 54.840 -0.900 0.000 0.755 226 L CB -0.038 41.733 42.059 -0.479 0.000 0.889 226 L HN -0.336 7.501 8.230 -0.656 0.000 0.432 227 V N -4.206 115.484 119.914 -0.374 0.000 2.358 227 V HA -0.437 nan 4.120 nan 0.000 0.246 227 V C 1.698 177.639 176.094 -0.255 0.000 1.047 227 V CA 3.943 66.026 62.300 -0.361 0.000 1.035 227 V CB -1.088 30.421 31.823 -0.523 0.000 0.658 227 V HN -0.194 7.663 8.190 -0.425 0.078 0.452 228 D N -0.353 119.936 120.400 -0.185 0.000 2.264 228 D HA -0.247 nan 4.640 nan 0.000 0.208 228 D C 2.074 178.330 176.300 -0.072 0.000 0.966 228 D CA 3.558 57.499 54.000 -0.098 0.000 0.864 228 D CB -0.526 40.243 40.800 -0.053 0.000 0.933 228 D HN -0.028 8.218 8.370 -0.206 0.000 0.499 229 H N 1.121 120.035 119.070 -0.261 0.000 2.299 229 H HA -0.333 nan 4.556 nan 0.000 0.302 229 H C 1.919 177.077 175.328 -0.284 0.000 1.078 229 H CA 3.328 59.197 56.048 -0.297 0.000 1.323 229 H CB 0.602 30.096 29.762 -0.447 0.000 1.381 229 H HN -0.007 8.061 8.280 -0.144 0.126 0.498 230 Y N -2.414 117.708 120.300 -0.297 0.000 2.475 230 Y HA -0.093 nan 4.550 nan 0.000 0.289 230 Y C 2.198 177.916 175.900 -0.304 0.000 1.121 230 Y CA 1.657 59.523 58.100 -0.390 0.000 1.257 230 Y CB -0.055 38.134 38.460 -0.452 0.000 1.026 230 Y HN -0.613 7.554 8.280 -0.188 0.000 0.555 231 K N -0.346 119.970 120.400 -0.141 0.000 2.283 231 K HA -0.352 nan 4.320 nan 0.000 0.202 231 K C 1.506 178.069 176.600 -0.061 0.000 1.048 231 K CA 3.081 59.284 56.287 -0.139 0.000 0.948 231 K CB -0.262 32.162 32.500 -0.127 0.000 0.742 231 K HN 0.153 8.289 8.250 -0.158 0.019 0.458 232 K N -2.195 118.177 120.400 -0.047 0.000 2.021 232 K HA -0.138 nan 4.320 nan 0.000 0.205 232 K C 0.161 176.751 176.600 -0.016 0.000 1.047 232 K CA 0.755 57.032 56.287 -0.018 0.000 0.943 232 K CB 0.872 33.374 32.500 0.005 0.000 0.725 232 K HN -0.769 7.277 8.250 -0.062 0.166 0.439 233 G N -4.431 104.355 108.800 -0.024 0.000 2.703 233 G HA2 0.021 nan 3.960 nan 0.000 0.294 233 G HA3 0.021 nan 3.960 nan 0.000 0.294 233 G C -2.782 172.115 174.900 -0.005 0.000 1.451 233 G CA -0.440 44.653 45.100 -0.013 0.000 0.869 233 G HN -0.873 7.390 8.290 -0.045 0.000 0.516 234 N N 0.411 119.109 118.700 -0.003 0.000 2.991 234 N HA -0.185 nan 4.740 nan 0.000 0.324 234 N C -1.232 174.291 175.510 0.021 0.000 1.208 234 N CA 0.169 53.217 53.050 -0.003 0.000 1.190 234 N CB -1.130 37.346 38.487 -0.019 0.000 1.443 234 N HN 0.260 8.636 8.380 -0.007 0.000 0.542 235 D N 1.530 121.974 120.400 0.072 0.000 2.398 235 D HA -0.124 nan 4.640 nan 0.000 0.250 235 D C 0.990 177.358 176.300 0.115 0.000 1.287 235 D CA 0.326 54.377 54.000 0.085 0.000 0.992 235 D CB -0.240 40.573 40.800 0.022 0.000 1.071 235 D HN -0.300 8.085 8.370 0.105 0.048 0.514 236 G N 6.590 115.413 108.800 0.038 0.000 2.347 236 G HA2 -0.387 nan 3.960 nan 0.000 0.247 236 G HA3 -0.387 nan 3.960 nan 0.000 0.247 236 G C -0.808 174.051 174.900 -0.068 0.000 1.037 236 G CA 0.339 45.445 45.100 0.011 0.000 0.622 236 G HN 0.166 8.441 8.290 0.027 0.031 0.521 237 L N -0.608 120.501 121.223 -0.190 0.000 2.453 237 L HA 0.005 nan 4.340 nan 0.000 0.261 237 L C 1.530 178.336 176.870 -0.105 0.000 1.179 237 L CA -0.687 53.949 54.840 -0.340 0.000 0.813 237 L CB 0.531 42.219 42.059 -0.617 0.000 1.110 237 L HN -0.895 7.135 8.230 -0.143 0.114 0.466 238 C N -2.168 117.134 119.300 0.003 0.000 2.437 238 C HA -0.073 nan 4.460 nan 0.000 0.283 238 C C 0.283 175.278 174.990 0.009 0.000 1.424 238 C CA 0.064 59.111 59.018 0.048 0.000 1.782 238 C CB -0.565 27.242 27.740 0.113 0.000 1.833 238 C HN 0.433 8.718 8.230 0.091 0.000 0.532 239 Q N -2.232 117.550 119.800 -0.030 0.000 2.522 239 Q HA 0.116 nan 4.340 nan 0.000 0.285 239 Q C -2.084 173.876 176.000 -0.067 0.000 0.982 239 Q CA -0.858 54.929 55.803 -0.028 0.000 0.805 239 Q CB 2.308 31.047 28.738 0.000 0.000 1.457 239 Q HN -0.680 7.498 8.270 -0.077 0.047 0.394 240 K N 1.325 121.697 120.400 -0.046 0.000 2.368 240 K HA -0.044 nan 4.320 nan 0.000 0.282 240 K C -0.249 176.300 176.600 -0.086 0.000 1.035 240 K CA -0.261 55.991 56.287 -0.058 0.000 0.973 240 K CB 0.434 32.916 32.500 -0.029 0.000 0.957 240 K HN 0.163 8.397 8.250 -0.026 0.000 0.474 241 L N 7.206 128.323 121.223 -0.177 0.000 2.462 241 L HA -0.152 nan 4.340 nan 0.000 0.272 241 L C -0.210 176.576 176.870 -0.139 0.000 1.166 241 L CA 0.773 55.431 54.840 -0.303 0.000 0.880 241 L CB -0.627 40.954 42.059 -0.796 0.000 1.142 241 L HN 0.201 8.217 8.230 -0.176 0.109 0.473 242 S N 2.848 118.603 115.700 0.093 0.000 3.049 242 S HA 0.059 nan 4.470 nan 0.000 0.182 242 S C -0.951 173.842 174.600 0.321 0.000 0.725 242 S CA 0.666 58.955 58.200 0.148 0.000 0.811 242 S CB 1.717 64.984 63.200 0.113 0.000 0.801 242 S HN 0.260 8.538 8.310 0.190 0.147 0.627 243 V N 1.256 121.374 119.914 0.340 0.000 2.769 243 V HA 0.495 nan 4.120 nan 0.000 0.312 243 V C -2.373 173.799 176.094 0.130 0.000 1.058 243 V CA -3.661 58.808 62.300 0.282 0.000 0.952 243 V CB 2.440 34.349 31.823 0.143 0.000 1.019 243 V HN -0.204 8.156 8.190 0.284 0.000 0.445 244 P HA 0.098 nan 4.420 nan 0.000 0.271 244 P C -0.942 176.259 177.300 -0.165 0.000 1.238 244 P CA -0.467 62.360 63.100 -0.456 0.000 0.794 244 P CB 0.562 32.158 31.700 -0.173 0.000 0.959 245 C N 0.443 119.646 119.300 -0.161 0.000 2.676 245 C HA -0.070 nan 4.460 nan 0.000 0.416 245 C C 0.136 175.157 174.990 0.051 0.000 1.299 245 C CA -0.476 58.456 59.018 -0.144 0.000 2.048 245 C CB 0.124 27.564 27.740 -0.501 0.000 2.713 245 C HN -0.215 7.888 8.230 -0.211 0.000 0.624 246 M N 6.723 126.332 119.600 0.015 0.000 2.248 246 M HA -0.067 nan 4.480 nan 0.000 0.345 246 M C -0.115 176.263 176.300 0.130 0.000 1.243 246 M CA -0.343 54.996 55.300 0.064 0.000 1.090 246 M CB -0.446 32.169 32.600 0.026 0.000 1.683 246 M HN 0.133 8.716 8.290 -0.036 -0.314 0.450 247 S N 2.693 118.494 115.700 0.169 0.000 2.562 247 S HA 0.055 nan 4.470 nan 0.000 0.275 247 S C 0.014 174.683 174.600 0.115 0.000 1.281 247 S CA -0.030 58.303 58.200 0.222 0.000 1.045 247 S CB 0.758 64.075 63.200 0.195 0.000 0.962 247 S HN 0.053 8.441 8.310 0.130 0.000 0.503 248 S N 3.140 118.892 115.700 0.087 0.000 2.439 248 S HA 0.038 nan 4.470 nan 0.000 0.282 248 S C -0.820 173.687 174.600 -0.154 0.000 1.170 248 S CA -0.122 58.065 58.200 -0.022 0.000 1.054 248 S CB 0.772 63.953 63.200 -0.032 0.000 0.956 248 S HN 0.124 8.526 8.310 0.153 0.000 0.490 249 K N 6.292 126.563 120.400 -0.214 0.000 2.382 249 K HA 0.158 nan 4.320 nan 0.000 0.275 249 K C -2.183 174.141 176.600 -0.460 0.000 1.009 249 K CA -1.085 54.906 56.287 -0.494 0.000 0.970 249 K CB 0.387 32.736 32.500 -0.250 0.000 0.934 249 K HN 0.164 8.344 8.250 -0.116 0.000 0.479 250 P HA 0.114 nan 4.420 nan 0.000 0.279 250 P C -2.151 175.078 177.300 -0.118 0.000 1.282 250 P CA -0.806 62.078 63.100 -0.360 0.000 0.788 250 P CB 0.847 32.270 31.700 -0.461 0.000 1.139 251 Q N 0.303 120.093 119.800 -0.017 0.000 2.259 251 Q HA -0.016 nan 4.340 nan 0.000 0.249 251 Q C -0.713 175.387 176.000 0.168 0.000 0.914 251 Q CA -0.459 55.395 55.803 0.085 0.000 0.904 251 Q CB 1.212 30.006 28.738 0.093 0.000 1.213 251 Q HN 0.035 8.278 8.270 -0.044 0.000 0.428 252 K N 6.404 126.939 120.400 0.225 0.000 2.453 252 K HA 0.034 nan 4.320 nan 0.000 0.280 252 K C -1.696 175.003 176.600 0.165 0.000 1.045 252 K CA -1.084 55.349 56.287 0.243 0.000 1.059 252 K CB -1.002 31.665 32.500 0.279 0.000 0.901 252 K HN 0.314 8.686 8.250 0.203 0.000 0.475 253 P HA -0.135 nan 4.420 nan 0.000 0.269 253 P C -1.317 176.107 177.300 0.206 0.000 1.217 253 P CA -0.380 62.711 63.100 -0.015 0.000 0.783 253 P CB 0.738 32.208 31.700 -0.384 0.000 0.898 254 W N 1.677 122.969 121.300 -0.013 0.000 2.184 254 W HA -0.031 nan 4.660 nan 0.000 0.338 254 W C -0.111 176.521 176.519 0.189 0.000 1.257 254 W CA -0.552 56.765 57.345 -0.047 0.000 1.243 254 W CB 1.322 30.631 29.460 -0.252 0.000 1.122 254 W HN 0.198 8.553 8.180 0.293 0.000 0.585 258 D N -1.780 118.672 120.400 0.087 0.000 3.070 258 D HA -0.295 nan 4.640 nan 0.000 0.220 258 D C -0.829 175.573 176.300 0.171 0.000 1.176 258 D CA 1.199 55.272 54.000 0.121 0.000 0.924 258 D CB -1.225 39.607 40.800 0.053 0.000 1.124 258 D HN 0.413 8.857 8.370 0.124 0.000 0.411 259 A N -1.587 121.358 122.820 0.208 0.000 2.929 259 A HA 0.130 nan 4.320 nan 0.000 0.279 259 A C 0.426 178.347 177.584 0.562 0.000 1.418 259 A CA -0.466 51.739 52.037 0.280 0.000 1.035 259 A CB -0.593 18.425 19.000 0.031 0.000 1.047 259 A HN -0.248 7.911 8.150 0.175 0.096 0.609 260 W N 0.170 121.620 121.300 0.250 0.000 2.480 260 W HA -0.117 nan 4.660 nan 0.000 0.299 260 W C -1.556 175.063 176.519 0.166 0.000 1.187 260 W CA 1.357 58.820 57.345 0.196 0.000 1.347 260 W CB 0.874 30.403 29.460 0.115 0.000 1.121 260 W HN 0.084 8.454 8.180 0.474 0.094 0.533 261 E N -0.780 119.399 120.200 -0.034 0.000 2.167 261 E HA 0.267 nan 4.350 nan 0.000 0.284 261 E C -0.989 175.608 176.600 -0.006 0.000 1.016 261 E CA -0.065 56.231 56.400 -0.173 0.000 0.817 261 E CB 0.562 30.253 29.700 -0.016 0.000 1.080 261 E HN -0.425 8.065 8.360 0.216 0.000 0.397 262 I N 6.624 127.187 120.570 -0.012 0.000 2.569 262 I HA 0.385 nan 4.170 nan 0.000 0.296 262 I C -2.308 173.844 176.117 0.059 0.000 1.028 262 I CA -4.540 56.824 61.300 0.107 0.000 1.082 262 I CB 2.921 41.061 38.000 0.233 0.000 1.264 262 I HN 0.348 8.499 8.210 -0.098 0.000 0.429 263 P HA 0.284 nan 4.420 nan 0.000 0.279 263 P C 0.350 177.664 177.300 0.023 0.000 1.239 263 P CA -0.708 62.402 63.100 0.016 0.000 0.789 263 P CB 1.023 32.727 31.700 0.007 0.000 0.933 264 R N 3.773 124.256 120.500 -0.028 0.000 2.127 264 R HA -0.420 nan 4.340 nan 0.000 0.238 264 R C 1.871 178.175 176.300 0.007 0.000 1.134 264 R CA 3.747 59.831 56.100 -0.026 0.000 0.975 264 R CB -0.178 30.043 30.300 -0.133 0.000 0.865 264 R HN 0.749 8.983 8.270 -0.060 0.000 0.447 265 E N -0.517 119.671 120.200 -0.019 0.000 2.333 265 E HA -0.209 nan 4.350 nan 0.000 0.198 265 E C 1.122 177.695 176.600 -0.045 0.000 1.007 265 E CA 2.539 58.920 56.400 -0.032 0.000 0.845 265 E CB -0.811 28.865 29.700 -0.041 0.000 0.766 265 E HN 0.308 8.625 8.360 -0.028 0.027 0.507 266 S N -1.861 113.815 115.700 -0.039 0.000 2.607 266 S HA -0.132 nan 4.470 nan 0.000 0.224 266 S C -0.299 174.254 174.600 -0.079 0.000 0.969 266 S CA 2.131 60.250 58.200 -0.135 0.000 0.927 266 S CB 0.813 63.890 63.200 -0.205 0.000 0.772 266 S HN -0.214 8.041 8.310 0.004 0.057 0.533 267 L N 1.074 122.315 121.223 0.029 0.000 2.333 267 L HA 0.368 nan 4.340 nan 0.000 0.280 267 L C -1.277 175.609 176.870 0.026 0.000 1.004 267 L CA -0.845 54.045 54.840 0.084 0.000 0.820 267 L CB 1.741 43.903 42.059 0.171 0.000 1.247 267 L HN -0.416 7.741 8.230 0.024 0.087 0.416 268 K N 4.337 124.746 120.400 0.014 0.000 2.292 268 K HA 0.205 nan 4.320 nan 0.000 0.270 268 K C -1.411 175.193 176.600 0.006 0.000 1.062 268 K CA -1.263 55.019 56.287 -0.009 0.000 0.916 268 K CB 0.842 33.331 32.500 -0.019 0.000 1.166 268 K HN 0.433 8.699 8.250 0.026 0.000 0.458 269 L N 5.931 127.122 121.223 -0.053 0.000 2.295 269 L HA 0.011 nan 4.340 nan 0.000 0.288 269 L C -0.326 176.627 176.870 0.138 0.000 1.079 269 L CA 0.260 55.075 54.840 -0.041 0.000 0.830 269 L CB -0.703 41.063 42.059 -0.487 0.000 1.200 269 L HN 0.681 8.849 8.230 -0.104 0.000 0.438 270 E N 4.694 125.064 120.200 0.284 0.000 2.127 270 E HA -0.018 nan 4.350 nan 0.000 0.191 270 E C -0.396 176.398 176.600 0.323 0.000 0.964 270 E CA 1.324 57.875 56.400 0.251 0.000 0.832 270 E CB 1.267 31.028 29.700 0.102 0.000 0.790 270 E HN 0.175 8.689 8.360 0.257 0.000 0.465 271 K N -0.636 119.923 120.400 0.264 0.000 2.565 271 K HA 0.193 nan 4.320 nan 0.000 0.249 271 K C -2.594 173.738 176.600 -0.448 0.000 0.958 271 K CA -1.324 54.923 56.287 -0.067 0.000 0.806 271 K CB 2.381 34.849 32.500 -0.052 0.000 1.194 271 K HN -0.586 7.869 8.250 0.341 0.000 0.434 272 K N 7.633 127.375 120.400 -1.096 0.000 2.382 272 K HA -0.031 nan 4.320 nan 0.000 0.286 272 K C -0.093 176.145 176.600 -0.604 0.000 1.062 272 K CA 0.931 56.373 56.287 -1.408 0.000 1.000 272 K CB -0.463 31.256 32.500 -1.302 0.000 0.954 272 K HN 0.565 8.255 8.250 -0.933 0.000 0.470 273 L N 5.862 126.837 121.223 -0.413 0.000 2.209 273 L HA 0.105 nan 4.340 nan 0.000 0.207 273 L C 0.536 177.310 176.870 -0.161 0.000 1.094 273 L CA 0.624 55.355 54.840 -0.182 0.000 0.790 273 L CB 0.662 42.691 42.059 -0.049 0.000 0.932 273 L HN 0.645 8.502 8.230 -0.464 0.095 0.447 274 G N -5.092 103.596 108.800 -0.186 0.000 2.632 274 G HA2 0.064 nan 3.960 nan 0.000 0.292 274 G HA3 0.064 nan 3.960 nan 0.000 0.292 274 G C -2.906 171.940 174.900 -0.091 0.000 1.465 274 G CA 0.497 45.529 45.100 -0.113 0.000 0.824 274 G HN -0.665 7.472 8.290 -0.255 0.000 0.509 275 A N -0.121 122.672 122.820 -0.045 0.000 3.214 275 A HA 0.483 nan 4.320 nan 0.000 0.304 275 A C 0.398 177.999 177.584 0.028 0.000 0.969 275 A CA -0.616 51.420 52.037 -0.001 0.000 0.986 275 A CB -0.474 18.523 19.000 -0.004 0.000 1.073 275 A HN 0.311 8.436 8.150 -0.042 0.000 0.487 276 G N -0.160 108.661 108.800 0.035 0.000 3.090 276 G HA2 -0.174 nan 3.960 nan 0.000 0.259 276 G HA3 -0.174 nan 3.960 nan 0.000 0.259 276 G C 0.215 175.201 174.900 0.144 0.000 0.797 276 G CA -0.303 44.832 45.100 0.058 0.000 2.032 276 G HN 0.287 8.591 8.290 0.024 0.000 0.614 277 Q N 2.881 122.769 119.800 0.147 0.000 2.231 277 Q HA -0.506 nan 4.340 nan 0.000 0.162 277 Q C 0.099 176.206 176.000 0.177 0.000 2.377 277 Q CA 2.260 58.177 55.803 0.190 0.000 0.925 277 Q CB -1.788 27.144 28.738 0.323 0.000 0.899 277 Q HN 0.169 8.429 8.270 0.093 0.066 0.759 278 F N -2.238 117.709 119.950 -0.005 0.000 2.682 278 F HA 0.223 nan 4.527 nan 0.000 0.308 278 F C -0.850 174.944 175.800 -0.011 0.000 1.093 278 F CA -1.087 56.908 58.000 -0.009 0.000 1.244 278 F CB 1.195 40.182 39.000 -0.021 0.000 1.052 278 F HN -0.014 8.501 8.300 0.500 0.085 0.573 279 G N -2.469 106.426 108.800 0.158 0.000 2.325 279 G HA2 0.066 nan 3.960 nan 0.000 0.295 279 G HA3 0.066 nan 3.960 nan 0.000 0.295 279 G C -2.473 172.483 174.900 0.094 0.000 1.274 279 G CA 0.164 45.325 45.100 0.102 0.000 0.857 279 G HN -0.520 7.812 8.290 0.162 0.054 0.499 280 E N -2.581 117.679 120.200 0.100 0.000 2.416 280 E HA 0.590 nan 4.350 nan 0.000 0.273 280 E C -1.685 174.984 176.600 0.114 0.000 0.935 280 E CA -1.701 54.765 56.400 0.111 0.000 0.784 280 E CB 4.811 34.651 29.700 0.232 0.000 1.301 280 E HN -0.118 8.296 8.360 0.089 0.000 0.454 281 V N -0.411 119.530 119.914 0.045 0.000 2.540 281 V HA 0.666 nan 4.120 nan 0.000 0.302 281 V C -1.671 174.434 176.094 0.019 0.000 1.035 281 V CA -0.911 61.428 62.300 0.064 0.000 0.873 281 V CB 2.385 34.214 31.823 0.010 0.000 0.992 281 V HN 0.621 8.684 8.190 -0.049 0.098 0.428 282 W N 6.080 127.345 121.300 -0.059 0.000 2.702 282 W HA 0.617 nan 4.660 nan 0.000 0.331 282 W C -1.440 175.077 176.519 -0.003 0.000 1.049 282 W CA -1.663 55.655 57.345 -0.045 0.000 1.230 282 W CB 3.575 32.975 29.460 -0.100 0.000 1.408 282 W HN 0.830 9.068 8.180 0.273 0.105 0.492 283 M N 4.073 123.783 119.600 0.184 0.000 2.228 283 M HA 0.443 nan 4.480 nan 0.000 0.351 283 M C -2.014 174.351 176.300 0.108 0.000 1.233 283 M CA -0.618 54.737 55.300 0.092 0.000 1.129 283 M CB 0.994 33.576 32.600 -0.030 0.000 1.604 283 M HN 0.759 9.104 8.290 0.091 0.000 0.457 284 A N 4.918 127.769 122.820 0.053 0.000 2.524 284 A HA 0.747 nan 4.320 nan 0.000 0.289 284 A C -2.265 175.354 177.584 0.058 0.000 1.248 284 A CA -0.663 51.423 52.037 0.080 0.000 0.712 284 A CB 3.811 22.879 19.000 0.114 0.000 1.312 284 A HN 0.533 8.686 8.150 0.004 0.000 0.441 285 T N 0.459 115.061 114.554 0.079 0.000 2.879 285 T HA 0.614 nan 4.350 nan 0.000 0.290 285 T C -2.148 172.640 174.700 0.147 0.000 0.993 285 T CA 0.158 62.312 62.100 0.090 0.000 0.975 285 T CB 2.505 71.379 68.868 0.010 0.000 0.981 285 T HN 0.063 8.346 8.240 0.071 0.000 0.439 286 Y N 6.806 127.155 120.300 0.082 0.000 2.341 286 Y HA 0.087 nan 4.550 nan 0.000 0.340 286 Y C -0.994 174.908 175.900 0.003 0.000 0.997 286 Y CA -0.905 57.245 58.100 0.083 0.000 1.149 286 Y CB 1.589 40.156 38.460 0.180 0.000 1.171 286 Y HN 0.647 9.126 8.280 0.332 0.000 0.494 287 N N 8.548 126.926 118.700 -0.536 0.000 2.707 287 N HA -0.507 nan 4.740 nan 0.000 0.253 287 N C -0.808 174.531 175.510 -0.285 0.000 0.998 287 N CA 1.409 54.175 53.050 -0.473 0.000 0.751 287 N CB -1.781 36.304 38.487 -0.670 0.000 0.920 287 N HN 0.823 8.880 8.380 -0.539 0.000 0.539 288 K N -7.210 113.023 120.400 -0.278 0.000 3.577 288 K HA -0.405 nan 4.320 nan 0.000 0.300 288 K C -0.285 176.001 176.600 -0.524 0.000 1.235 288 K CA 2.594 58.631 56.287 -0.416 0.000 1.028 288 K CB -1.213 30.926 32.500 -0.601 0.000 1.306 288 K HN 0.653 8.758 8.250 -0.218 0.014 0.432 289 H N -5.357 113.693 119.070 -0.033 0.000 3.398 289 H HA 0.207 nan 4.556 nan 0.000 0.260 289 H C -1.432 173.919 175.328 0.040 0.000 1.189 289 H CA -0.296 55.736 56.048 -0.027 0.000 1.145 289 H CB 2.190 31.893 29.762 -0.098 0.000 1.599 289 H HN -0.696 7.473 8.280 -0.053 0.079 0.615 290 T N 2.489 117.170 114.554 0.212 0.000 2.786 290 T HA 0.312 nan 4.350 nan 0.000 0.283 290 T C -1.727 173.112 174.700 0.233 0.000 0.992 290 T CA -0.610 61.648 62.100 0.263 0.000 0.954 290 T CB 0.990 70.086 68.868 0.380 0.000 0.934 290 T HN -0.488 7.861 8.240 0.182 0.000 0.440 291 K N 6.952 127.458 120.400 0.177 0.000 2.227 291 K HA 0.596 nan 4.320 nan 0.000 0.280 291 K C -1.400 175.312 176.600 0.187 0.000 1.041 291 K CA -0.667 55.677 56.287 0.094 0.000 0.905 291 K CB 1.102 33.592 32.500 -0.018 0.000 1.068 291 K HN 0.303 8.662 8.250 0.182 0.000 0.470 292 V N -0.534 119.484 119.914 0.173 0.000 3.105 292 V HA 0.892 nan 4.120 nan 0.000 0.311 292 V C -2.162 174.077 176.094 0.242 0.000 1.287 292 V CA -3.126 59.333 62.300 0.264 0.000 1.066 292 V CB 4.334 36.342 31.823 0.308 0.000 1.105 292 V HN -0.129 8.113 8.190 0.087 0.000 0.462 293 A N -2.045 120.920 122.820 0.243 0.000 2.374 293 A HA 0.904 nan 4.320 nan 0.000 0.317 293 A C -2.260 175.397 177.584 0.121 0.000 1.094 293 A CA -1.953 50.221 52.037 0.228 0.000 0.765 293 A CB 2.685 21.822 19.000 0.228 0.000 1.268 293 A HN 0.154 8.418 8.150 0.190 0.000 0.438 294 V N 1.472 121.443 119.914 0.095 0.000 2.483 294 V HA 0.407 nan 4.120 nan 0.000 0.297 294 V C -1.562 174.512 176.094 -0.033 0.000 1.027 294 V CA -1.200 61.100 62.300 0.001 0.000 0.855 294 V CB 2.117 33.880 31.823 -0.098 0.000 0.995 294 V HN 0.914 9.082 8.190 0.140 0.106 0.424 295 K N 7.840 128.210 120.400 -0.051 0.000 2.227 295 K HA 0.529 nan 4.320 nan 0.000 0.280 295 K C -0.891 175.641 176.600 -0.113 0.000 1.041 295 K CA -1.000 55.261 56.287 -0.043 0.000 0.905 295 K CB 2.485 34.962 32.500 -0.039 0.000 1.068 295 K HN 0.272 8.498 8.250 -0.039 0.000 0.470 296 T N 4.749 119.232 114.554 -0.119 0.000 2.743 296 T HA 0.552 nan 4.350 nan 0.000 0.292 296 T C -0.230 174.493 174.700 0.038 0.000 0.972 296 T CA -2.069 59.945 62.100 -0.144 0.000 0.967 296 T CB 0.436 69.141 68.868 -0.272 0.000 0.926 296 T HN 0.794 8.917 8.240 -0.019 0.106 0.459 297 M N 5.681 125.323 119.600 0.071 0.000 2.080 297 M HA 0.242 nan 4.480 nan 0.000 0.350 297 M C -0.199 176.120 176.300 0.031 0.000 1.173 297 M CA -2.575 52.735 55.300 0.016 0.000 1.052 297 M CB -0.080 32.464 32.600 -0.094 0.000 1.577 297 M HN 0.880 9.259 8.290 0.150 0.000 0.455 298 K N 5.309 125.730 120.400 0.035 0.000 2.511 298 K HA -0.162 nan 4.320 nan 0.000 0.280 298 K C -0.624 175.970 176.600 -0.010 0.000 1.008 298 K CA 0.523 56.817 56.287 0.011 0.000 1.050 298 K CB -0.828 31.662 32.500 -0.017 0.000 0.889 298 K HN -0.007 8.274 8.250 0.051 0.000 0.484 299 P HA -0.189 nan 4.420 nan 0.000 0.218 299 P C 0.554 177.841 177.300 -0.021 0.000 1.146 299 P CA 2.133 65.220 63.100 -0.021 0.000 0.813 299 P CB 0.044 31.731 31.700 -0.021 0.000 0.778 300 G N -3.062 105.720 108.800 -0.030 0.000 2.433 300 G HA2 -0.176 nan 3.960 nan 0.000 0.216 300 G HA3 -0.176 nan 3.960 nan 0.000 0.216 300 G C 0.641 175.538 174.900 -0.006 0.000 1.186 300 G CA 0.867 45.950 45.100 -0.029 0.000 0.779 300 G HN -0.284 7.964 8.290 -0.039 0.019 0.543 301 S N 1.522 117.224 115.700 0.002 0.000 2.451 301 S HA -0.424 nan 4.470 nan 0.000 0.272 301 S C -0.704 173.948 174.600 0.087 0.000 1.136 301 S CA 2.821 61.067 58.200 0.076 0.000 1.209 301 S CB 0.360 63.611 63.200 0.085 0.000 1.130 301 S HN -0.300 7.999 8.310 -0.019 0.000 0.440 302 M N -5.794 113.833 119.600 0.044 0.000 2.520 302 M HA 0.267 nan 4.480 nan 0.000 0.280 302 M C -1.809 174.530 176.300 0.065 0.000 1.232 302 M CA -0.739 54.600 55.300 0.065 0.000 0.892 302 M CB 3.641 36.284 32.600 0.072 0.000 1.728 302 M HN -0.695 7.605 8.290 0.017 0.000 0.475 303 S N 1.996 117.751 115.700 0.091 0.000 2.443 303 S HA 0.129 nan 4.470 nan 0.000 0.284 303 S C 1.067 175.739 174.600 0.120 0.000 1.206 303 S CA -0.198 58.053 58.200 0.085 0.000 1.074 303 S CB -0.334 62.914 63.200 0.079 0.000 0.963 303 S HN 0.381 8.752 8.310 0.101 0.000 0.501 304 V N 6.782 126.757 119.914 0.101 0.000 2.233 304 V HA -0.535 nan 4.120 nan 0.000 0.252 304 V C 1.640 177.836 176.094 0.171 0.000 1.063 304 V CA 4.174 66.556 62.300 0.137 0.000 1.032 304 V CB -1.213 30.659 31.823 0.081 0.000 0.645 304 V HN 0.616 8.847 8.190 0.068 0.000 0.446 305 E N -0.314 119.953 120.200 0.112 0.000 2.114 305 E HA -0.343 nan 4.350 nan 0.000 0.199 305 E C 2.233 178.888 176.600 0.092 0.000 1.008 305 E CA 3.265 59.720 56.400 0.092 0.000 0.810 305 E CB -1.413 28.326 29.700 0.065 0.000 0.739 305 E HN 0.571 8.985 8.360 0.089 0.000 0.456 306 A N -1.070 121.815 122.820 0.108 0.000 1.968 306 A HA -0.170 nan 4.320 nan 0.000 0.217 306 A C 1.967 179.624 177.584 0.121 0.000 1.169 306 A CA 2.396 54.493 52.037 0.100 0.000 0.638 306 A CB -0.746 18.316 19.000 0.103 0.000 0.812 306 A HN -0.422 7.666 8.150 0.118 0.133 0.446 307 F N 0.670 120.650 119.950 0.050 0.000 2.084 307 F HA -0.266 nan 4.527 nan 0.000 0.296 307 F C 1.115 176.961 175.800 0.077 0.000 1.111 307 F CA 2.543 60.575 58.000 0.053 0.000 1.224 307 F CB 0.330 39.354 39.000 0.039 0.000 0.991 307 F HN -0.180 8.191 8.300 0.289 0.102 0.471 308 L N -1.632 119.528 121.223 -0.105 0.000 2.043 308 L HA -0.578 nan 4.340 nan 0.000 0.212 308 L C 1.961 178.760 176.870 -0.117 0.000 1.075 308 L CA 3.165 57.919 54.840 -0.144 0.000 0.752 308 L CB -0.611 41.479 42.059 0.052 0.000 0.891 308 L HN 0.129 8.463 8.230 0.173 0.000 0.432 309 A N -1.482 121.306 122.820 -0.053 0.000 1.841 309 A HA -0.421 nan 4.320 nan 0.000 0.216 309 A C 1.920 179.467 177.584 -0.062 0.000 1.199 309 A CA 3.281 55.300 52.037 -0.030 0.000 0.621 309 A CB -1.110 17.896 19.000 0.011 0.000 0.835 309 A HN -0.212 7.934 8.150 -0.007 0.000 0.445 310 E N -1.211 118.949 120.200 -0.067 0.000 2.160 310 E HA -0.327 nan 4.350 nan 0.000 0.195 310 E C 2.197 178.745 176.600 -0.087 0.000 0.991 310 E CA 2.468 58.857 56.400 -0.019 0.000 0.810 310 E CB -0.275 29.448 29.700 0.039 0.000 0.742 310 E HN -0.262 8.062 8.360 -0.060 0.000 0.466 311 A N -1.563 121.092 122.820 -0.275 0.000 1.968 311 A HA -0.214 nan 4.320 nan 0.000 0.217 311 A C 2.118 179.651 177.584 -0.086 0.000 1.169 311 A CA 3.068 54.964 52.037 -0.234 0.000 0.638 311 A CB -0.628 18.052 19.000 -0.533 0.000 0.812 311 A HN 0.320 8.190 8.150 -0.435 0.019 0.446 312 N N -1.604 117.046 118.700 -0.083 0.000 2.309 312 N HA -0.214 nan 4.740 nan 0.000 0.182 312 N C 2.041 177.451 175.510 -0.166 0.000 1.018 312 N CA 3.647 56.608 53.050 -0.148 0.000 0.876 312 N CB 0.234 38.669 38.487 -0.088 0.000 0.972 312 N HN -0.363 7.877 8.380 -0.086 0.088 0.434 313 V N 1.187 121.029 119.914 -0.120 0.000 2.255 313 V HA -0.442 nan 4.120 nan 0.000 0.243 313 V C 1.757 177.732 176.094 -0.199 0.000 1.038 313 V CA 4.661 66.875 62.300 -0.143 0.000 1.008 313 V CB -0.468 31.302 31.823 -0.089 0.000 0.645 313 V HN -0.408 7.715 8.190 -0.090 0.013 0.449 314 M N -0.923 118.583 119.600 -0.157 0.000 2.108 314 M HA -0.527 nan 4.480 nan 0.000 0.257 314 M C 2.311 178.589 176.300 -0.037 0.000 1.071 314 M CA 4.227 59.475 55.300 -0.086 0.000 1.093 314 M CB -0.276 32.328 32.600 0.006 0.000 1.345 314 M HN 0.125 8.190 8.290 -0.106 0.162 0.403 315 K N -3.470 116.867 120.400 -0.104 0.000 2.280 315 K HA -0.224 nan 4.320 nan 0.000 0.202 315 K C 1.407 177.945 176.600 -0.103 0.000 1.047 315 K CA 2.306 58.518 56.287 -0.126 0.000 0.942 315 K CB -0.587 31.701 32.500 -0.353 0.000 0.739 315 K HN -0.179 7.985 8.250 -0.143 0.000 0.457 316 T N 0.099 114.581 114.554 -0.119 0.000 3.035 316 T HA -0.013 nan 4.350 nan 0.000 0.268 316 T C 0.558 175.259 174.700 0.002 0.000 1.109 316 T CA 2.285 64.336 62.100 -0.082 0.000 1.119 316 T CB -0.002 68.795 68.868 -0.118 0.000 0.900 316 T HN -0.137 7.856 8.240 -0.151 0.157 0.503 317 L N 2.614 123.854 121.223 0.028 0.000 2.376 317 L HA 0.118 nan 4.340 nan 0.000 0.250 317 L C -0.995 175.978 176.870 0.173 0.000 1.335 317 L CA -1.406 53.545 54.840 0.185 0.000 1.214 317 L CB -2.630 39.474 42.059 0.075 0.000 1.395 317 L HN -0.675 7.499 8.230 -0.007 0.052 0.424 318 Q N 2.688 122.578 119.800 0.150 0.000 2.361 318 Q HA 0.049 nan 4.340 nan 0.000 0.250 318 Q C -1.131 174.771 176.000 -0.164 0.000 1.023 318 Q CA -0.620 55.190 55.803 0.012 0.000 0.915 318 Q CB -0.308 28.444 28.738 0.023 0.000 1.238 318 Q HN -0.224 8.130 8.270 0.219 0.047 0.451 319 H N 5.309 124.133 119.070 -0.410 0.000 3.038 319 H HA 0.138 nan 4.556 nan 0.000 0.362 319 H C -0.317 174.794 175.328 -0.361 0.000 1.167 319 H CA -0.229 55.424 56.048 -0.658 0.000 1.197 319 H CB 3.835 32.781 29.762 -1.360 0.000 1.840 319 H HN -0.265 7.928 8.280 -0.145 0.000 0.540 320 D N 5.126 125.100 120.400 -0.709 0.000 2.221 320 D HA -0.243 nan 4.640 nan 0.000 0.204 320 D C -0.027 176.103 176.300 -0.282 0.000 0.982 320 D CA 2.366 56.106 54.000 -0.434 0.000 0.857 320 D CB 0.235 40.782 40.800 -0.422 0.000 0.934 320 D HN 0.466 8.270 8.370 -0.942 0.000 0.475 321 K N -3.680 116.609 120.400 -0.185 0.000 2.570 321 K HA 0.209 nan 4.320 nan 0.000 0.210 321 K C -1.165 175.434 176.600 -0.001 0.000 1.048 321 K CA -1.935 54.336 56.287 -0.026 0.000 1.167 321 K CB -0.875 31.648 32.500 0.039 0.000 0.892 321 K HN -0.590 7.489 8.250 -0.255 0.018 0.480 322 L N -1.988 119.228 121.223 -0.012 0.000 2.354 322 L HA 0.599 nan 4.340 nan 0.000 0.264 322 L C -0.593 176.351 176.870 0.124 0.000 1.008 322 L CA -1.212 53.661 54.840 0.055 0.000 0.819 322 L CB 3.329 45.343 42.059 -0.077 0.000 1.339 322 L HN -0.538 7.596 8.230 -0.052 0.064 0.420 323 V N 1.862 121.922 119.914 0.244 0.000 2.572 323 V HA -0.163 nan 4.120 nan 0.000 0.291 323 V C -0.055 176.057 176.094 0.030 0.000 1.039 323 V CA 0.388 62.731 62.300 0.072 0.000 1.055 323 V CB -0.390 31.438 31.823 0.010 0.000 0.969 323 V HN 0.274 8.738 8.190 0.456 0.000 0.482 324 K N 6.729 127.066 120.400 -0.105 0.000 2.416 324 K HA -0.056 nan 4.320 nan 0.000 0.283 324 K C -0.938 175.460 176.600 -0.336 0.000 1.037 324 K CA -1.268 54.913 56.287 -0.178 0.000 0.995 324 K CB 0.098 32.459 32.500 -0.232 0.000 0.938 324 K HN -0.054 8.442 8.250 -0.126 -0.321 0.475 325 L N 5.493 126.604 121.223 -0.187 0.000 2.305 325 L HA 0.225 nan 4.340 nan 0.000 0.281 325 L C -0.674 176.105 176.870 -0.152 0.000 1.085 325 L CA -0.499 54.243 54.840 -0.165 0.000 0.813 325 L CB 0.939 42.980 42.059 -0.030 0.000 1.157 325 L HN -0.000 8.184 8.230 -0.075 0.000 0.436 326 H N 6.123 125.036 119.070 -0.261 0.000 2.430 326 H HA 0.169 nan 4.556 nan 0.000 0.297 326 H C -1.131 173.888 175.328 -0.515 0.000 1.016 326 H CA 0.616 56.260 56.048 -0.673 0.000 1.294 326 H CB 2.251 31.169 29.762 -1.408 0.000 1.465 326 H HN 0.909 9.049 8.280 -0.234 0.000 0.547 327 A N -4.858 117.827 122.820 -0.225 0.000 2.586 327 A HA 0.461 nan 4.320 nan 0.000 0.290 327 A C -2.774 174.565 177.584 -0.408 0.000 1.086 327 A CA -0.408 51.469 52.037 -0.267 0.000 0.665 327 A CB 3.155 22.142 19.000 -0.022 0.000 1.279 327 A HN -0.656 7.374 8.150 -0.200 0.000 0.423 328 V N -6.729 112.811 119.914 -0.622 0.000 3.007 328 V HA 0.818 nan 4.120 nan 0.000 0.311 328 V C -1.793 174.187 176.094 -0.190 0.000 1.120 328 V CA -2.446 59.663 62.300 -0.319 0.000 0.980 328 V CB 3.717 35.371 31.823 -0.280 0.000 1.033 328 V HN 0.437 8.145 8.190 -0.804 0.000 0.429 329 V N 3.129 123.012 119.914 -0.051 0.000 2.350 329 V HA 0.415 nan 4.120 nan 0.000 0.276 329 V C 0.933 176.979 176.094 -0.079 0.000 1.028 329 V CA -0.745 61.511 62.300 -0.074 0.000 0.860 329 V CB 0.372 32.130 31.823 -0.109 0.000 0.990 329 V HN 0.427 8.626 8.190 0.014 0.000 0.453 330 T N 6.509 121.019 114.554 -0.075 0.000 2.962 330 T HA -0.135 nan 4.350 nan 0.000 0.270 330 T C -0.233 174.448 174.700 -0.033 0.000 1.088 330 T CA 2.117 64.202 62.100 -0.026 0.000 1.127 330 T CB 0.005 68.858 68.868 -0.026 0.000 0.883 330 T HN 0.409 8.596 8.240 -0.087 0.000 0.493 331 K N 0.350 120.700 120.400 -0.083 0.000 2.172 331 K HA 0.162 nan 4.320 nan 0.000 0.276 331 K C -0.407 176.117 176.600 -0.126 0.000 1.013 331 K CA -2.448 53.786 56.287 -0.089 0.000 0.913 331 K CB 0.052 32.493 32.500 -0.099 0.000 1.055 331 K HN -0.208 7.908 8.250 -0.115 0.065 0.461 332 E N 3.393 123.538 120.200 -0.091 0.000 2.465 332 E HA -0.010 nan 4.350 nan 0.000 0.260 332 E C -0.805 175.714 176.600 -0.136 0.000 0.980 332 E CA -0.818 55.523 56.400 -0.099 0.000 0.927 332 E CB -0.156 29.508 29.700 -0.060 0.000 0.934 332 E HN 0.272 8.594 8.360 -0.064 0.000 0.459 333 P HA 0.131 nan 4.420 nan 0.000 0.280 333 P C -1.180 176.027 177.300 -0.154 0.000 1.244 333 P CA -0.624 62.411 63.100 -0.109 0.000 0.784 333 P CB 0.739 32.430 31.700 -0.015 0.000 0.913 334 I N 1.598 122.108 120.570 -0.100 0.000 2.710 334 I HA -0.114 nan 4.170 nan 0.000 0.286 334 I C -0.640 175.542 176.117 0.109 0.000 1.181 334 I CA 0.094 61.318 61.300 -0.125 0.000 1.430 334 I CB -0.714 37.077 38.000 -0.349 0.000 1.367 334 I HN 0.146 8.302 8.210 -0.090 0.000 0.577 335 Y N 5.080 125.300 120.300 -0.133 0.000 2.409 335 Y HA 0.594 nan 4.550 nan 0.000 0.343 335 Y C -0.878 174.977 175.900 -0.076 0.000 0.973 335 Y CA -2.974 55.070 58.100 -0.094 0.000 1.064 335 Y CB 2.550 40.975 38.460 -0.057 0.000 1.207 335 Y HN -0.414 7.889 8.280 0.039 0.000 0.452 336 I N 3.773 124.385 120.570 0.070 0.000 2.355 336 I HA 0.348 nan 4.170 nan 0.000 0.288 336 I C -1.278 174.849 176.117 0.016 0.000 0.999 336 I CA -0.762 60.569 61.300 0.052 0.000 1.163 336 I CB 1.706 39.732 38.000 0.043 0.000 1.316 336 I HN 0.571 8.797 8.210 0.025 0.000 0.454 337 I N 9.786 130.350 120.570 -0.009 0.000 2.321 337 I HA 0.465 nan 4.170 nan 0.000 0.291 337 I C -1.311 174.741 176.117 -0.110 0.000 0.998 337 I CA -0.945 60.340 61.300 -0.024 0.000 1.227 337 I CB 0.562 38.553 38.000 -0.016 0.000 1.368 337 I HN 0.756 8.947 8.210 -0.032 0.000 0.466 338 T N 4.204 118.700 114.554 -0.096 0.000 2.888 338 T HA 0.825 nan 4.350 nan 0.000 0.288 338 T C -0.754 173.843 174.700 -0.171 0.000 1.063 338 T CA -2.848 59.119 62.100 -0.222 0.000 1.010 338 T CB 2.863 71.634 68.868 -0.162 0.000 1.214 338 T HN 0.708 8.935 8.240 -0.022 0.000 0.533 339 E N -0.011 120.012 120.200 -0.295 0.000 2.404 339 E HA 0.103 nan 4.350 nan 0.000 0.261 339 E C -0.910 175.749 176.600 0.098 0.000 1.074 339 E CA -0.269 56.101 56.400 -0.050 0.000 0.917 339 E CB 0.647 30.293 29.700 -0.091 0.000 0.965 339 E HN -0.153 7.961 8.360 -0.410 0.000 0.433 340 F N 3.116 123.089 119.950 0.039 0.000 2.412 340 F HA 0.026 nan 4.527 nan 0.000 0.348 340 F C -0.820 174.981 175.800 0.002 0.000 1.102 340 F CA 0.323 58.338 58.000 0.025 0.000 1.196 340 F CB 0.949 39.983 39.000 0.056 0.000 1.144 340 F HN -0.036 8.480 8.300 0.360 0.000 0.541 341 M N 6.575 125.706 119.600 -0.783 0.000 2.023 341 M HA 0.203 nan 4.480 nan 0.000 0.325 341 M C -0.302 175.481 176.300 -0.861 0.000 0.963 341 M CA -2.135 52.808 55.300 -0.594 0.000 0.928 341 M CB -0.413 31.962 32.600 -0.375 0.000 1.429 341 M HN 0.277 8.006 8.290 -0.935 0.000 0.404 342 A N 6.754 129.221 122.820 -0.588 0.000 1.978 342 A HA -0.209 nan 4.320 nan 0.000 0.220 342 A C 1.024 178.491 177.584 -0.196 0.000 1.170 342 A CA 2.640 54.472 52.037 -0.341 0.000 0.636 342 A CB -0.148 18.845 19.000 -0.011 0.000 0.810 342 A HN 0.564 8.501 8.150 -0.355 0.000 0.448 343 K N -4.618 115.663 120.400 -0.198 0.000 2.417 343 K HA 0.065 nan 4.320 nan 0.000 0.196 343 K C 0.314 176.865 176.600 -0.081 0.000 1.023 343 K CA -0.810 55.416 56.287 -0.102 0.000 1.122 343 K CB 0.083 32.489 32.500 -0.157 0.000 0.850 343 K HN -0.281 7.819 8.250 -0.250 0.000 0.521 344 G N -0.326 108.372 108.800 -0.170 0.000 2.496 344 G HA2 -0.383 nan 3.960 nan 0.000 0.243 344 G HA3 -0.383 nan 3.960 nan 0.000 0.243 344 G C -1.429 173.399 174.900 -0.121 0.000 1.176 344 G CA -0.392 44.630 45.100 -0.129 0.000 0.940 344 G HN -0.433 7.634 8.290 -0.269 0.061 0.573 345 S N 0.291 115.952 115.700 -0.064 0.000 2.693 345 S HA 0.570 nan 4.470 nan 0.000 0.276 345 S C 1.006 175.587 174.600 -0.033 0.000 1.192 345 S CA -1.289 56.871 58.200 -0.067 0.000 0.994 345 S CB 2.366 65.535 63.200 -0.052 0.000 1.012 345 S HN -0.486 7.986 8.310 -0.031 -0.181 0.550 346 L N 1.096 122.284 121.223 -0.059 0.000 2.109 346 L HA -0.070 nan 4.340 nan 0.000 0.207 346 L C 1.075 177.982 176.870 0.062 0.000 1.086 346 L CA 2.797 57.620 54.840 -0.028 0.000 0.760 346 L CB -0.148 41.846 42.059 -0.108 0.000 0.910 346 L HN 0.640 8.820 8.230 -0.083 0.000 0.437 347 L N -0.756 120.488 121.223 0.034 0.000 1.989 347 L HA -0.461 nan 4.340 nan 0.000 0.211 347 L C 1.345 178.254 176.870 0.064 0.000 1.071 347 L CA 3.768 58.641 54.840 0.056 0.000 0.749 347 L CB -0.584 41.500 42.059 0.043 0.000 0.890 347 L HN -0.636 7.594 8.230 -0.000 0.000 0.431 348 D N -1.625 118.808 120.400 0.055 0.000 2.117 348 D HA -0.365 nan 4.640 nan 0.000 0.197 348 D C 1.814 178.166 176.300 0.087 0.000 0.987 348 D CA 2.801 56.834 54.000 0.056 0.000 0.829 348 D CB -0.172 40.655 40.800 0.044 0.000 0.961 348 D HN -0.315 8.077 8.370 0.037 0.000 0.460 349 F N -0.303 119.629 119.950 -0.030 0.000 2.113 349 F HA -0.223 nan 4.527 nan 0.000 0.297 349 F C 1.128 176.949 175.800 0.036 0.000 1.103 349 F CA 2.427 60.416 58.000 -0.019 0.000 1.248 349 F CB 1.017 39.971 39.000 -0.076 0.000 0.999 349 F HN -0.331 7.995 8.300 0.222 0.107 0.475 350 L N -1.373 119.846 121.223 -0.007 0.000 2.131 350 L HA -0.494 nan 4.340 nan 0.000 0.210 350 L C 1.638 178.499 176.870 -0.015 0.000 1.092 350 L CA 3.065 57.892 54.840 -0.020 0.000 0.759 350 L CB -0.301 41.827 42.059 0.115 0.000 0.903 350 L HN 0.348 8.557 8.230 0.133 0.100 0.435 351 K N -3.424 116.969 120.400 -0.012 0.000 2.505 351 K HA -0.165 nan 4.320 nan 0.000 0.192 351 K C -0.155 176.404 176.600 -0.068 0.000 1.025 351 K CA 0.852 57.132 56.287 -0.013 0.000 1.086 351 K CB 0.024 32.533 32.500 0.015 0.000 0.840 351 K HN -0.598 7.648 8.250 0.010 0.009 0.514 352 S N 0.596 116.209 115.700 -0.145 0.000 2.566 352 S HA 0.111 nan 4.470 nan 0.000 0.277 352 S C 0.292 174.800 174.600 -0.152 0.000 1.150 352 S CA -0.161 57.956 58.200 -0.138 0.000 1.032 352 S CB 2.204 65.314 63.200 -0.150 0.000 1.157 352 S HN -0.270 7.711 8.310 -0.222 0.196 0.507 353 D N 0.447 120.778 120.400 -0.114 0.000 2.084 353 D HA -0.196 nan 4.640 nan 0.000 0.199 353 D C 1.886 178.119 176.300 -0.113 0.000 0.981 353 D CA 3.594 57.540 54.000 -0.090 0.000 0.841 353 D CB 0.224 40.999 40.800 -0.042 0.000 0.997 353 D HN 0.280 8.599 8.370 -0.085 0.000 0.454 354 E N -0.717 119.417 120.200 -0.110 0.000 2.204 354 E HA -0.238 nan 4.350 nan 0.000 0.194 354 E C 1.693 178.138 176.600 -0.259 0.000 0.989 354 E CA 1.262 57.620 56.400 -0.069 0.000 0.824 354 E CB -0.074 29.688 29.700 0.105 0.000 0.756 354 E HN -0.046 8.262 8.360 -0.087 0.000 0.477 355 G N -0.807 107.625 108.800 -0.615 0.000 2.453 355 G HA2 -0.274 nan 3.960 nan 0.000 0.215 355 G HA3 -0.274 nan 3.960 nan 0.000 0.215 355 G C 1.414 176.219 174.900 -0.157 0.000 1.201 355 G CA 1.590 46.261 45.100 -0.716 0.000 0.784 355 G HN -0.297 7.639 8.290 -0.568 0.014 0.545 356 S N 1.740 117.336 115.700 -0.173 0.000 2.507 356 S HA -0.144 nan 4.470 nan 0.000 0.235 356 S C 1.318 175.803 174.600 -0.192 0.000 0.988 356 S CA 2.461 60.496 58.200 -0.274 0.000 0.944 356 S CB 0.003 63.032 63.200 -0.285 0.000 0.762 356 S HN -0.352 7.836 8.310 -0.205 0.000 0.526 357 K N -0.980 119.375 120.400 -0.074 0.000 2.426 357 K HA -0.047 nan 4.320 nan 0.000 0.193 357 K C -0.169 176.465 176.600 0.056 0.000 1.028 357 K CA 0.612 56.888 56.287 -0.019 0.000 1.047 357 K CB 0.354 32.850 32.500 -0.007 0.000 0.821 357 K HN -0.735 7.420 8.250 -0.087 0.044 0.513 358 Q N 0.603 120.490 119.800 0.144 0.000 2.293 358 Q HA 0.312 nan 4.340 nan 0.000 0.263 358 Q C -1.677 174.414 176.000 0.152 0.000 1.002 358 Q CA -2.781 53.119 55.803 0.161 0.000 0.910 358 Q CB -0.917 27.969 28.738 0.247 0.000 1.185 358 Q HN -0.559 7.762 8.270 0.179 0.056 0.401 359 P HA 0.086 nan 4.420 nan 0.000 0.272 359 P C 0.243 177.546 177.300 0.005 0.000 1.240 359 P CA -0.548 62.577 63.100 0.042 0.000 0.791 359 P CB 0.992 32.685 31.700 -0.012 0.000 0.978 360 L N 0.919 122.162 121.223 0.034 0.000 2.013 360 L HA -0.252 nan 4.340 nan 0.000 0.212 360 L C -0.579 176.299 176.870 0.013 0.000 1.073 360 L CA 4.452 59.308 54.840 0.027 0.000 0.753 360 L CB -2.305 39.804 42.059 0.084 0.000 0.890 360 L HN 0.613 8.881 8.230 0.062 0.000 0.432 361 P HA -0.209 nan 4.420 nan 0.000 0.222 361 P C 1.903 179.118 177.300 -0.142 0.000 1.147 361 P CA 2.570 65.608 63.100 -0.104 0.000 0.790 361 P CB -0.896 30.521 31.700 -0.471 0.000 0.780 362 K N -1.379 118.892 120.400 -0.215 0.000 2.166 362 K HA -0.030 nan 4.320 nan 0.000 0.201 362 K C 2.239 178.479 176.600 -0.600 0.000 1.052 362 K CA 1.428 57.468 56.287 -0.411 0.000 0.969 362 K CB -0.065 32.201 32.500 -0.391 0.000 0.761 362 K HN -0.415 7.585 8.250 -0.168 0.149 0.459 363 L N -0.221 120.804 121.223 -0.330 0.000 2.083 363 L HA -0.355 nan 4.340 nan 0.000 0.209 363 L C 2.208 179.014 176.870 -0.106 0.000 1.083 363 L CA 3.404 58.134 54.840 -0.184 0.000 0.752 363 L CB -0.311 41.674 42.059 -0.124 0.000 0.899 363 L HN -0.002 8.032 8.230 -0.207 0.071 0.433 364 I N -1.488 119.012 120.570 -0.117 0.000 2.315 364 I HA -0.536 nan 4.170 nan 0.000 0.248 364 I C 1.658 177.744 176.117 -0.052 0.000 1.117 364 I CA 4.230 65.465 61.300 -0.109 0.000 1.404 364 I CB -0.450 37.487 38.000 -0.105 0.000 1.071 364 I HN 0.056 8.191 8.210 -0.105 0.012 0.419 365 D N 0.329 120.676 120.400 -0.089 0.000 2.219 365 D HA -0.241 nan 4.640 nan 0.000 0.205 365 D C 2.363 178.693 176.300 0.050 0.000 0.970 365 D CA 3.238 57.204 54.000 -0.056 0.000 0.851 365 D CB -0.202 40.509 40.800 -0.149 0.000 0.943 365 D HN -0.651 7.532 8.370 -0.156 0.093 0.488 366 F N 0.024 119.971 119.950 -0.005 0.000 2.084 366 F HA -0.174 nan 4.527 nan 0.000 0.296 366 F C 2.030 177.841 175.800 0.018 0.000 1.111 366 F CA 1.627 59.623 58.000 -0.006 0.000 1.224 366 F CB -0.483 38.510 39.000 -0.011 0.000 0.991 366 F HN -0.228 7.865 8.300 -0.141 0.123 0.471 367 S N -0.094 115.738 115.700 0.220 0.000 2.374 367 S HA -0.460 nan 4.470 nan 0.000 0.227 367 S C 2.190 176.952 174.600 0.269 0.000 1.037 367 S CA 4.198 62.518 58.200 0.199 0.000 1.024 367 S CB -0.434 62.819 63.200 0.088 0.000 0.861 367 S HN 0.143 8.562 8.310 0.182 0.000 0.456 368 A N 0.519 123.428 122.820 0.148 0.000 1.930 368 A HA -0.231 nan 4.320 nan 0.000 0.217 368 A C 1.976 179.617 177.584 0.096 0.000 1.175 368 A CA 3.115 55.212 52.037 0.099 0.000 0.627 368 A CB -0.918 18.114 19.000 0.053 0.000 0.815 368 A HN 0.277 8.276 8.150 0.110 0.217 0.443 369 Q N -0.768 119.103 119.800 0.117 0.000 2.084 369 Q HA -0.353 nan 4.340 nan 0.000 0.202 369 Q C 2.631 178.673 176.000 0.071 0.000 0.978 369 Q CA 3.194 59.050 55.803 0.088 0.000 0.844 369 Q CB 0.006 28.808 28.738 0.108 0.000 0.898 369 Q HN -0.478 7.683 8.270 0.150 0.199 0.426 370 I N -0.219 120.425 120.570 0.123 0.000 2.142 370 I HA -0.552 nan 4.170 nan 0.000 0.240 370 I C 1.591 177.727 176.117 0.031 0.000 1.078 370 I CA 3.761 65.132 61.300 0.118 0.000 1.343 370 I CB -0.374 37.783 38.000 0.262 0.000 1.046 370 I HN -0.002 8.312 8.210 0.173 0.000 0.405 371 A N -0.512 122.326 122.820 0.030 0.000 1.917 371 A HA -0.442 nan 4.320 nan 0.000 0.219 371 A C 2.037 179.518 177.584 -0.172 0.000 1.182 371 A CA 3.445 55.326 52.037 -0.260 0.000 0.633 371 A CB -1.174 17.689 19.000 -0.229 0.000 0.819 371 A HN 0.303 8.591 8.150 0.231 0.000 0.448 372 E N -2.363 117.798 120.200 -0.067 0.000 2.118 372 E HA -0.437 nan 4.350 nan 0.000 0.195 372 E C 2.867 179.409 176.600 -0.097 0.000 0.992 372 E CA 2.894 59.273 56.400 -0.036 0.000 0.804 372 E CB -0.340 29.385 29.700 0.042 0.000 0.741 372 E HN 0.373 8.723 8.360 -0.018 0.000 0.458 373 G N -0.420 108.312 108.800 -0.114 0.000 2.414 373 G HA2 -0.279 nan 3.960 nan 0.000 0.215 373 G HA3 -0.279 nan 3.960 nan 0.000 0.215 373 G C 1.415 176.144 174.900 -0.284 0.000 1.188 373 G CA 1.895 46.884 45.100 -0.186 0.000 0.783 373 G HN -0.215 7.946 8.290 -0.070 0.086 0.537 374 M N 1.927 121.279 119.600 -0.413 0.000 2.144 374 M HA -0.326 nan 4.480 nan 0.000 0.260 374 M C 2.420 178.340 176.300 -0.633 0.000 1.067 374 M CA 1.212 56.057 55.300 -0.759 0.000 1.095 374 M CB -1.126 30.620 32.600 -1.422 0.000 1.365 374 M HN 0.105 8.185 8.290 -0.349 0.000 0.406 375 A N -1.835 120.771 122.820 -0.357 0.000 2.015 375 A HA -0.190 nan 4.320 nan 0.000 0.219 375 A C 1.929 179.454 177.584 -0.099 0.000 1.163 375 A CA 2.811 54.772 52.037 -0.127 0.000 0.646 375 A CB -1.085 17.889 19.000 -0.043 0.000 0.806 375 A HN 0.322 8.187 8.150 -0.321 0.093 0.448 376 F N 0.355 120.096 119.950 -0.348 0.000 2.128 376 F HA -0.297 nan 4.527 nan 0.000 0.295 376 F C 1.111 176.744 175.800 -0.280 0.000 1.100 376 F CA 2.954 60.725 58.000 -0.381 0.000 1.260 376 F CB 0.600 39.134 39.000 -0.777 0.000 1.009 376 F HN -0.712 7.386 8.300 -0.130 0.124 0.476 377 I N -0.458 119.997 120.570 -0.191 0.000 2.194 377 I HA -0.710 nan 4.170 nan 0.000 0.246 377 I C 1.553 177.564 176.117 -0.177 0.000 1.093 377 I CA 4.587 65.766 61.300 -0.202 0.000 1.355 377 I CB -0.287 37.627 38.000 -0.145 0.000 1.046 377 I HN 0.255 8.401 8.210 -0.106 0.000 0.413 378 E N -0.942 119.170 120.200 -0.147 0.000 2.077 378 E HA -0.404 nan 4.350 nan 0.000 0.193 378 E C 2.981 179.530 176.600 -0.085 0.000 0.989 378 E CA 3.591 59.966 56.400 -0.042 0.000 0.800 378 E CB -0.339 29.398 29.700 0.062 0.000 0.746 378 E HN -0.135 8.110 8.360 -0.189 0.002 0.452 379 Q N -0.609 119.088 119.800 -0.173 0.000 2.172 379 Q HA -0.207 nan 4.340 nan 0.000 0.200 379 Q C 1.637 177.492 176.000 -0.241 0.000 0.964 379 Q CA 2.308 58.001 55.803 -0.183 0.000 0.855 379 Q CB -0.240 28.381 28.738 -0.195 0.000 0.918 379 Q HN -0.799 7.223 8.270 -0.212 0.121 0.444 380 R N -3.696 116.572 120.500 -0.387 0.000 2.320 380 R HA 0.079 nan 4.340 nan 0.000 0.211 380 R C -0.935 175.276 176.300 -0.149 0.000 0.931 380 R CA -1.416 54.472 56.100 -0.352 0.000 1.071 380 R CB -0.855 29.085 30.300 -0.600 0.000 1.025 380 R HN -0.182 7.773 8.270 -0.502 0.014 0.495 381 N N -4.595 114.057 118.700 -0.078 0.000 2.747 381 N HA -0.473 nan 4.740 nan 0.000 0.249 381 N C -1.047 174.519 175.510 0.094 0.000 1.107 381 N CA 1.596 54.650 53.050 0.006 0.000 0.707 381 N CB -1.202 37.289 38.487 0.007 0.000 1.054 381 N HN -0.455 7.649 8.380 -0.108 0.211 0.555 382 Y N -0.189 120.060 120.300 -0.086 0.000 2.565 382 Y HA 0.285 nan 4.550 nan 0.000 0.325 382 Y C -1.374 174.526 175.900 -0.001 0.000 1.221 382 Y CA -0.405 57.667 58.100 -0.047 0.000 1.316 382 Y CB 2.161 40.575 38.460 -0.075 0.000 1.404 382 Y HN -0.312 8.003 8.280 0.083 0.015 0.527 383 I N 0.900 121.215 120.570 -0.426 0.000 2.533 383 I HA 0.236 nan 4.170 nan 0.000 0.290 383 I C -2.058 173.897 176.117 -0.270 0.000 1.056 383 I CA -0.639 60.526 61.300 -0.224 0.000 1.057 383 I CB 3.189 41.082 38.000 -0.179 0.000 1.240 383 I HN -0.063 7.362 8.210 -1.309 0.000 0.423 384 H N 8.918 127.946 119.070 -0.070 0.000 2.872 384 H HA 0.102 nan 4.556 nan 0.000 0.273 384 H C -0.865 174.457 175.328 -0.010 0.000 1.205 384 H CA -0.301 55.760 56.048 0.022 0.000 1.342 384 H CB 0.349 30.151 29.762 0.066 0.000 1.469 384 H HN 0.300 8.975 8.280 0.158 -0.300 0.487 385 R N 4.321 124.683 120.500 -0.229 0.000 2.127 385 R HA -0.298 nan 4.340 nan 0.000 0.238 385 R C -0.685 175.579 176.300 -0.060 0.000 1.134 385 R CA 2.654 58.621 56.100 -0.220 0.000 0.975 385 R CB 0.448 30.448 30.300 -0.500 0.000 0.865 385 R HN -0.290 7.780 8.270 -0.333 0.000 0.447 386 D N -4.280 116.123 120.400 0.006 0.000 2.440 386 D HA 0.030 nan 4.640 nan 0.000 0.252 386 D C -1.904 174.554 176.300 0.263 0.000 1.180 386 D CA -1.721 52.348 54.000 0.114 0.000 0.894 386 D CB 0.140 40.867 40.800 -0.121 0.000 1.111 386 D HN -0.243 8.028 8.370 -0.165 0.000 0.544 387 L N 1.503 122.886 121.223 0.267 0.000 2.319 387 L HA 0.006 nan 4.340 nan 0.000 0.280 387 L C -1.343 175.531 176.870 0.007 0.000 1.099 387 L CA 0.432 55.324 54.840 0.086 0.000 0.828 387 L CB 0.704 42.861 42.059 0.163 0.000 1.150 387 L HN 0.077 8.495 8.230 0.314 0.000 0.442 388 R N -3.056 117.364 120.500 -0.134 0.000 2.728 388 R HA 0.196 nan 4.340 nan 0.000 0.274 388 R C -0.364 175.846 176.300 -0.150 0.000 1.032 388 R CA -1.329 54.621 56.100 -0.250 0.000 0.866 388 R CB 1.884 31.599 30.300 -0.974 0.000 1.263 388 R HN -0.319 7.879 8.270 -0.121 0.000 0.475 389 A N 0.113 122.905 122.820 -0.046 0.000 2.076 389 A HA -0.220 nan 4.320 nan 0.000 0.220 389 A C 1.132 178.676 177.584 -0.066 0.000 1.160 389 A CA 3.275 55.294 52.037 -0.030 0.000 0.653 389 A CB -0.610 18.411 19.000 0.035 0.000 0.801 389 A HN 0.601 9.120 8.150 0.059 -0.333 0.455 390 A N -2.686 120.062 122.820 -0.121 0.000 2.019 390 A HA -0.204 nan 4.320 nan 0.000 0.219 390 A C 0.974 178.486 177.584 -0.120 0.000 1.164 390 A CA 2.200 54.157 52.037 -0.133 0.000 0.644 390 A CB -0.363 18.502 19.000 -0.225 0.000 0.805 390 A HN 0.288 8.309 8.150 -0.166 0.030 0.449 391 N N -4.154 114.477 118.700 -0.116 0.000 2.238 391 N HA 0.171 nan 4.740 nan 0.000 0.222 391 N C -1.830 173.658 175.510 -0.036 0.000 1.133 391 N CA -0.591 52.423 53.050 -0.059 0.000 0.854 391 N CB 1.409 39.898 38.487 0.002 0.000 1.041 391 N HN -0.144 7.983 8.380 -0.141 0.169 0.510 392 I N -0.103 120.428 120.570 -0.066 0.000 2.530 392 I HA 0.580 nan 4.170 nan 0.000 0.297 392 I C -2.082 173.972 176.117 -0.105 0.000 1.011 392 I CA -1.220 60.035 61.300 -0.075 0.000 1.107 392 I CB 2.733 40.680 38.000 -0.088 0.000 1.285 392 I HN -0.677 7.418 8.210 -0.078 0.069 0.436 393 L N 4.434 125.581 121.223 -0.126 0.000 2.323 393 L HA 0.769 nan 4.340 nan 0.000 0.265 393 L C -1.535 175.196 176.870 -0.233 0.000 1.012 393 L CA -1.299 53.440 54.840 -0.168 0.000 0.820 393 L CB 3.391 45.353 42.059 -0.162 0.000 1.334 393 L HN 0.658 8.822 8.230 -0.109 0.000 0.427 394 V N -0.369 119.373 119.914 -0.287 0.000 2.448 394 V HA 0.541 nan 4.120 nan 0.000 0.295 394 V C -0.950 174.960 176.094 -0.307 0.000 1.025 394 V CA -1.953 60.123 62.300 -0.374 0.000 0.859 394 V CB 1.067 32.532 31.823 -0.597 0.000 0.988 394 V HN 0.318 8.349 8.190 -0.265 0.000 0.431 395 S N 6.238 121.790 115.700 -0.246 0.000 2.634 395 S HA 0.180 nan 4.470 nan 0.000 0.261 395 S C 1.101 175.603 174.600 -0.164 0.000 1.271 395 S CA -0.388 57.700 58.200 -0.185 0.000 0.985 395 S CB 2.194 65.316 63.200 -0.129 0.000 0.968 395 S HN 0.141 8.309 8.310 -0.237 0.000 0.568 396 A N 1.206 123.968 122.820 -0.097 0.000 1.917 396 A HA -0.252 nan 4.320 nan 0.000 0.219 396 A C 1.265 178.815 177.584 -0.056 0.000 1.182 396 A CA 2.975 54.979 52.037 -0.055 0.000 0.633 396 A CB -0.521 18.474 19.000 -0.007 0.000 0.819 396 A HN 0.678 8.783 8.150 -0.074 0.000 0.448 397 S N -2.985 112.682 115.700 -0.055 0.000 2.786 397 S HA -0.132 nan 4.470 nan 0.000 0.223 397 S C 0.049 174.620 174.600 -0.048 0.000 0.956 397 S CA -0.252 57.924 58.200 -0.041 0.000 0.961 397 S CB -0.163 63.016 63.200 -0.035 0.000 0.784 397 S HN -0.594 7.682 8.310 -0.057 0.000 0.519 398 L N -2.168 118.988 121.223 -0.111 0.000 3.717 398 L HA -0.358 nan 4.340 nan 0.000 0.411 398 L C -1.311 175.532 176.870 -0.045 0.000 1.233 398 L CA 0.516 55.281 54.840 -0.126 0.000 0.917 398 L CB -2.712 39.381 42.059 0.057 0.000 1.902 398 L HN -0.250 7.797 8.230 -0.153 0.091 0.894 399 V N -1.677 118.173 119.914 -0.107 0.000 2.465 399 V HA 0.117 nan 4.120 nan 0.000 0.279 399 V C -0.222 175.775 176.094 -0.161 0.000 1.045 399 V CA -0.679 61.575 62.300 -0.077 0.000 0.938 399 V CB 1.012 32.788 31.823 -0.078 0.000 0.986 399 V HN -0.701 7.404 8.190 -0.142 0.000 0.467 400 C N 9.580 128.796 119.300 -0.140 0.000 2.325 400 C HA 0.412 nan 4.460 nan 0.000 0.347 400 C C -0.637 174.288 174.990 -0.109 0.000 1.263 400 C CA -0.668 58.234 59.018 -0.193 0.000 1.806 400 C CB -1.591 26.030 27.740 -0.198 0.000 2.405 400 C HN 0.324 8.863 8.230 -0.043 -0.335 0.537 401 K N 4.510 124.846 120.400 -0.107 0.000 2.259 401 K HA 0.448 nan 4.320 nan 0.000 0.249 401 K C -1.049 175.544 176.600 -0.013 0.000 0.942 401 K CA -2.064 54.192 56.287 -0.052 0.000 0.816 401 K CB 3.534 36.004 32.500 -0.050 0.000 1.155 401 K HN 0.659 8.824 8.250 -0.141 0.000 0.428 402 I N 2.352 122.948 120.570 0.043 0.000 2.416 402 I HA 0.224 nan 4.170 nan 0.000 0.288 402 I C -1.457 174.877 176.117 0.361 0.000 1.051 402 I CA 0.197 61.572 61.300 0.124 0.000 1.375 402 I CB 0.157 38.186 38.000 0.048 0.000 1.407 402 I HN 0.263 8.489 8.210 0.026 0.000 0.516 403 A N 7.198 130.172 122.820 0.256 0.000 2.330 403 A HA 0.419 nan 4.320 nan 0.000 0.329 403 A C -2.086 175.572 177.584 0.123 0.000 1.135 403 A CA -1.543 50.572 52.037 0.129 0.000 0.817 403 A CB 2.646 21.641 19.000 -0.008 0.000 1.269 403 A HN 0.834 9.088 8.150 0.173 0.000 0.469 404 D N -1.491 118.734 120.400 -0.292 0.000 4.478 404 D HA -0.297 nan 4.640 nan 0.000 0.238 404 D C -0.797 175.352 176.300 -0.252 0.000 1.056 404 D CA 1.446 55.253 54.000 -0.322 0.000 1.245 404 D CB -1.622 39.083 40.800 -0.159 0.000 0.794 404 D HN 0.315 8.413 8.370 -0.453 0.000 0.394 405 F N -0.361 119.538 119.950 -0.086 0.000 2.298 405 F HA 0.053 nan 4.527 nan 0.000 0.282 405 F C 0.743 176.425 175.800 -0.197 0.000 1.045 405 F CA 0.052 57.948 58.000 -0.174 0.000 1.280 405 F CB 0.796 39.939 39.000 0.238 0.000 1.114 405 F HN 0.080 7.968 8.300 -0.686 0.000 0.546 406 G N -2.802 106.085 108.800 0.145 0.000 2.338 406 G HA2 0.151 nan 3.960 nan 0.000 0.298 406 G HA3 0.151 nan 3.960 nan 0.000 0.298 406 G C -1.139 173.739 174.900 -0.036 0.000 1.140 406 G CA -0.598 44.541 45.100 0.064 0.000 0.860 406 G HN -0.308 8.093 8.290 0.185 0.000 0.470 407 L N 4.768 125.925 121.223 -0.111 0.000 2.388 407 L HA 0.171 nan 4.340 nan 0.000 0.267 407 L C -0.970 175.853 176.870 -0.079 0.000 0.995 407 L CA -1.152 53.617 54.840 -0.117 0.000 0.864 407 L CB 0.527 42.454 42.059 -0.220 0.000 1.216 407 L HN 0.264 8.399 8.230 -0.158 0.000 0.430 408 A N 6.500 129.323 122.820 0.005 0.000 3.215 408 A HA 0.317 nan 4.320 nan 0.000 0.320 408 A C -1.714 175.912 177.584 0.071 0.000 1.084 408 A CA -0.445 51.622 52.037 0.051 0.000 0.969 408 A CB -0.286 18.778 19.000 0.105 0.000 1.064 408 A HN 0.321 8.491 8.150 0.033 0.000 0.513 409 R N -0.985 119.541 120.500 0.043 0.000 2.843 409 R HA 0.877 nan 4.340 nan 0.000 0.232 409 R C -0.782 175.589 176.300 0.118 0.000 1.305 409 R CA -0.749 55.403 56.100 0.087 0.000 1.096 409 R CB 1.184 31.505 30.300 0.036 0.000 1.455 409 R HN -0.384 7.893 8.270 0.012 0.000 0.520 410 V N -1.328 118.689 119.914 0.171 0.000 2.567 410 V HA 0.368 nan 4.120 nan 0.000 0.298 410 V C -0.813 175.381 176.094 0.167 0.000 1.047 410 V CA 0.402 62.788 62.300 0.143 0.000 0.880 410 V CB 1.086 32.967 31.823 0.097 0.000 1.009 410 V HN 0.223 8.549 8.190 0.227 0.000 0.429 423 K N 1.833 122.360 120.400 0.211 0.000 3.129 423 K HA 0.265 nan 4.320 nan 0.000 0.224 423 K C -1.749 174.996 176.600 0.243 0.000 1.249 423 K CA -0.402 56.008 56.287 0.205 0.000 1.177 423 K CB -1.496 31.099 32.500 0.158 0.000 1.393 423 K HN 0.061 8.444 8.250 0.222 0.000 0.459 424 F N 2.563 122.587 119.950 0.124 0.000 2.399 424 F HA 0.322 nan 4.527 nan 0.000 0.334 424 F C -1.107 174.802 175.800 0.182 0.000 1.097 424 F CA -4.635 53.434 58.000 0.115 0.000 1.076 424 F CB 2.811 41.876 39.000 0.107 0.000 1.162 424 F HN -0.813 7.659 8.300 0.393 0.065 0.495 425 P HA 0.035 nan 4.420 nan 0.000 0.301 425 P C 0.090 177.794 177.300 0.672 0.000 1.560 425 P CA 0.184 63.546 63.100 0.436 0.000 0.784 425 P CB -1.930 29.798 31.700 0.046 0.000 1.715 426 I N -1.710 119.202 120.570 0.570 0.000 2.143 426 I HA -0.568 nan 4.170 nan 0.000 0.245 426 I C 1.460 177.708 176.117 0.219 0.000 1.068 426 I CA 3.405 64.911 61.300 0.343 0.000 1.326 426 I CB -1.300 36.806 38.000 0.177 0.000 1.028 426 I HN 0.032 8.509 8.210 0.602 0.094 0.412 427 K N -0.318 120.168 120.400 0.143 0.000 2.211 427 K HA -0.313 nan 4.320 nan 0.000 0.204 427 K C 1.874 178.499 176.600 0.042 0.000 1.047 427 K CA 3.172 59.436 56.287 -0.038 0.000 0.935 427 K CB -0.588 31.691 32.500 -0.368 0.000 0.728 427 K HN 0.046 8.405 8.250 0.212 0.019 0.452 428 W N -3.694 117.787 121.300 0.302 0.000 3.278 428 W HA 0.196 nan 4.660 nan 0.000 0.308 428 W C -0.955 175.751 176.519 0.312 0.000 1.253 428 W CA -0.506 57.041 57.345 0.337 0.000 1.759 428 W CB 0.549 30.157 29.460 0.247 0.000 1.093 428 W HN -0.107 8.291 8.180 0.611 0.149 0.648 429 T N 1.863 116.622 114.554 0.342 0.000 2.795 429 T HA 0.319 nan 4.350 nan 0.000 0.282 429 T C -1.070 173.381 174.700 -0.415 0.000 0.980 429 T CA -0.421 61.752 62.100 0.122 0.000 1.012 429 T CB 1.012 70.028 68.868 0.247 0.000 0.936 429 T HN -0.268 7.969 8.240 0.281 0.172 0.457 430 A N 6.736 129.188 122.820 -0.613 0.000 2.511 430 A HA 0.254 nan 4.320 nan 0.000 0.242 430 A C -0.418 176.717 177.584 -0.747 0.000 1.069 430 A CA -1.877 49.463 52.037 -1.161 0.000 0.763 430 A CB -0.895 17.824 19.000 -0.468 0.000 1.001 430 A HN 0.255 8.275 8.150 -0.217 0.000 0.498 431 P HA -0.401 nan 4.420 nan 0.000 0.219 431 P C 0.980 178.156 177.300 -0.206 0.000 1.158 431 P CA 3.008 65.877 63.100 -0.385 0.000 0.895 431 P CB 0.195 31.705 31.700 -0.316 0.000 0.792 432 E N -3.630 116.469 120.200 -0.169 0.000 2.160 432 E HA -0.319 nan 4.350 nan 0.000 0.195 432 E C 1.789 178.331 176.600 -0.097 0.000 0.991 432 E CA 3.315 59.682 56.400 -0.055 0.000 0.810 432 E CB -1.323 28.319 29.700 -0.096 0.000 0.742 432 E HN 0.399 8.633 8.360 -0.210 0.000 0.466 433 A N -0.376 122.258 122.820 -0.309 0.000 1.843 433 A HA -0.142 nan 4.320 nan 0.000 0.213 433 A C 2.038 179.441 177.584 -0.301 0.000 1.202 433 A CA 2.517 54.222 52.037 -0.554 0.000 0.607 433 A CB -0.593 17.847 19.000 -0.934 0.000 0.847 433 A HN -0.585 7.337 8.150 -0.330 0.030 0.445 434 I N -2.087 118.348 120.570 -0.225 0.000 2.300 434 I HA -0.560 nan 4.170 nan 0.000 0.252 434 I C 1.296 177.312 176.117 -0.168 0.000 1.119 434 I CA 3.187 64.392 61.300 -0.158 0.000 1.384 434 I CB -0.007 37.892 38.000 -0.167 0.000 1.062 434 I HN -0.041 8.008 8.210 -0.268 0.000 0.426 435 N N -1.143 117.460 118.700 -0.162 0.000 2.517 435 N HA -0.012 nan 4.740 nan 0.000 0.202 435 N C 1.103 176.432 175.510 -0.302 0.000 1.042 435 N CA 2.158 55.052 53.050 -0.259 0.000 0.952 435 N CB 0.721 39.035 38.487 -0.289 0.000 1.211 435 N HN -0.583 7.694 8.380 -0.129 0.026 0.458 436 F N -2.215 117.663 119.950 -0.120 0.000 2.727 436 F HA 0.180 nan 4.527 nan 0.000 0.302 436 F C 0.646 176.400 175.800 -0.077 0.000 1.097 436 F CA 0.123 58.072 58.000 -0.086 0.000 1.330 436 F CB 0.550 39.503 39.000 -0.077 0.000 1.084 436 F HN -0.097 8.212 8.300 0.192 0.107 0.578 437 G N 0.504 109.315 108.800 0.019 0.000 2.258 437 G HA2 -0.505 nan 3.960 nan 0.000 0.274 437 G HA3 -0.505 nan 3.960 nan 0.000 0.274 437 G C -0.448 174.449 174.900 -0.004 0.000 1.021 437 G CA 0.476 45.591 45.100 0.026 0.000 0.798 437 G HN 0.027 8.143 8.290 -0.051 0.143 0.507 438 S N 1.123 116.755 115.700 -0.114 0.000 2.499 438 S HA -0.019 nan 4.470 nan 0.000 0.275 438 S C -1.168 173.282 174.600 -0.250 0.000 1.257 438 S CA 0.973 59.131 58.200 -0.070 0.000 1.050 438 S CB 0.631 63.792 63.200 -0.065 0.000 0.937 438 S HN -0.798 7.418 8.310 -0.115 0.025 0.490 439 F N 5.464 125.443 119.950 0.048 0.000 2.493 439 F HA 0.222 nan 4.527 nan 0.000 0.329 439 F C -0.535 175.288 175.800 0.038 0.000 1.126 439 F CA -0.421 57.609 58.000 0.051 0.000 0.937 439 F CB 3.341 42.369 39.000 0.046 0.000 1.146 439 F HN -0.006 8.445 8.300 0.253 0.000 0.442 440 T N 1.098 115.771 114.554 0.198 0.000 2.831 440 T HA 0.471 nan 4.350 nan 0.000 0.287 440 T C 0.725 175.536 174.700 0.185 0.000 1.070 440 T CA -1.906 60.280 62.100 0.143 0.000 1.010 440 T CB 2.357 71.278 68.868 0.088 0.000 1.264 440 T HN 0.683 9.039 8.240 0.193 0.000 0.532 441 I N -1.457 119.211 120.570 0.163 0.000 2.493 441 I HA -0.232 nan 4.170 nan 0.000 0.254 441 I C 1.595 177.853 176.117 0.235 0.000 1.160 441 I CA 1.855 63.300 61.300 0.240 0.000 1.445 441 I CB -1.390 36.748 38.000 0.230 0.000 1.086 441 I HN 0.391 8.675 8.210 0.123 0.000 0.433 442 K N -1.230 119.256 120.400 0.144 0.000 2.155 442 K HA -0.172 nan 4.320 nan 0.000 0.203 442 K C 2.509 179.222 176.600 0.187 0.000 1.052 442 K CA 3.032 59.386 56.287 0.112 0.000 0.948 442 K CB -0.961 31.585 32.500 0.076 0.000 0.728 442 K HN 0.473 8.781 8.250 0.119 0.014 0.448 443 S N 0.198 116.017 115.700 0.199 0.000 2.406 443 S HA -0.221 nan 4.470 nan 0.000 0.228 443 S C 1.667 176.489 174.600 0.371 0.000 1.020 443 S CA 3.192 61.527 58.200 0.225 0.000 0.965 443 S CB -0.259 63.012 63.200 0.118 0.000 0.798 443 S HN -0.544 7.771 8.310 0.171 0.097 0.488 444 D N 2.885 123.523 120.400 0.396 0.000 2.117 444 D HA -0.215 nan 4.640 nan 0.000 0.197 444 D C 2.286 178.933 176.300 0.577 0.000 0.987 444 D CA 3.054 57.356 54.000 0.503 0.000 0.829 444 D CB -0.214 40.902 40.800 0.527 0.000 0.961 444 D HN -0.592 7.911 8.370 0.350 0.077 0.460 445 V N 0.564 120.674 119.914 0.326 0.000 2.282 445 V HA -0.389 nan 4.120 nan 0.000 0.249 445 V C 1.691 177.973 176.094 0.313 0.000 1.057 445 V CA 4.357 66.652 62.300 -0.008 0.000 1.032 445 V CB -0.805 30.860 31.823 -0.264 0.000 0.645 445 V HN 0.044 8.320 8.190 0.270 0.076 0.447 446 W N -0.851 120.587 121.300 0.229 0.000 2.318 446 W HA -0.493 nan 4.660 nan 0.000 0.313 446 W C 1.646 178.434 176.519 0.449 0.000 1.221 446 W CA 3.397 60.961 57.345 0.364 0.000 1.266 446 W CB -0.337 29.306 29.460 0.305 0.000 1.150 446 W HN -0.452 7.958 8.180 0.510 0.076 0.496 447 S N -1.136 115.030 115.700 0.777 0.000 2.383 447 S HA -0.402 nan 4.470 nan 0.000 0.229 447 S C 2.238 177.165 174.600 0.545 0.000 1.030 447 S CA 4.035 62.644 58.200 0.682 0.000 1.002 447 S CB -0.685 62.856 63.200 0.568 0.000 0.829 447 S HN -0.362 8.323 8.310 0.719 0.056 0.467 448 F N 1.922 122.098 119.950 0.377 0.000 2.293 448 F HA -0.205 nan 4.527 nan 0.000 0.300 448 F C 1.214 177.111 175.800 0.162 0.000 1.086 448 F CA 2.870 61.041 58.000 0.285 0.000 1.375 448 F CB -0.059 39.170 39.000 0.382 0.000 1.045 448 F HN 0.409 8.993 8.300 0.674 0.121 0.516 449 G N -0.426 108.465 108.800 0.152 0.000 2.404 449 G HA2 -0.316 nan 3.960 nan 0.000 0.215 449 G HA3 -0.316 nan 3.960 nan 0.000 0.215 449 G C 1.273 176.226 174.900 0.089 0.000 1.174 449 G CA 2.108 47.115 45.100 -0.155 0.000 0.780 449 G HN -0.363 7.993 8.290 0.319 0.126 0.537 450 I N 2.247 123.078 120.570 0.435 0.000 2.226 450 I HA -0.327 nan 4.170 nan 0.000 0.245 450 I C 1.692 177.921 176.117 0.187 0.000 1.100 450 I CA 2.209 63.725 61.300 0.359 0.000 1.374 450 I CB -0.972 37.202 38.000 0.291 0.000 1.057 450 I HN -0.285 8.232 8.210 0.512 0.000 0.413 451 L N 0.686 122.001 121.223 0.153 0.000 2.046 451 L HA -0.293 nan 4.340 nan 0.000 0.208 451 L C 1.799 178.572 176.870 -0.161 0.000 1.077 451 L CA 3.352 58.211 54.840 0.031 0.000 0.747 451 L CB -0.742 41.283 42.059 -0.057 0.000 0.896 451 L HN 0.052 8.325 8.230 0.204 0.079 0.432 452 L N -2.099 118.914 121.223 -0.351 0.000 2.079 452 L HA -0.514 nan 4.340 nan 0.000 0.210 452 L C 2.073 178.844 176.870 -0.166 0.000 1.081 452 L CA 3.154 57.784 54.840 -0.350 0.000 0.752 452 L CB -0.588 41.228 42.059 -0.406 0.000 0.896 452 L HN 0.118 7.902 8.230 -0.417 0.196 0.433 453 M N -0.614 118.943 119.600 -0.073 0.000 2.077 453 M HA -0.405 nan 4.480 nan 0.000 0.261 453 M C 1.573 177.863 176.300 -0.016 0.000 1.070 453 M CA 2.705 57.999 55.300 -0.009 0.000 1.125 453 M CB -0.611 32.031 32.600 0.070 0.000 1.339 453 M HN -0.426 7.743 8.290 -0.051 0.090 0.409 454 E N -0.156 120.056 120.200 0.019 0.000 2.097 454 E HA -0.445 nan 4.350 nan 0.000 0.196 454 E C 2.701 179.297 176.600 -0.007 0.000 1.000 454 E CA 3.279 59.709 56.400 0.050 0.000 0.804 454 E CB -0.286 29.498 29.700 0.141 0.000 0.740 454 E HN -0.076 8.312 8.360 0.046 0.000 0.454 455 I N -0.364 120.174 120.570 -0.052 0.000 2.142 455 I HA -0.446 nan 4.170 nan 0.000 0.240 455 I C 2.331 178.322 176.117 -0.209 0.000 1.078 455 I CA 4.447 65.691 61.300 -0.094 0.000 1.343 455 I CB 0.005 37.960 38.000 -0.075 0.000 1.046 455 I HN 0.269 8.342 8.210 -0.061 0.101 0.405 456 V N -0.516 119.296 119.914 -0.169 0.000 2.626 456 V HA -0.313 nan 4.120 nan 0.000 0.252 456 V C 1.626 177.620 176.094 -0.168 0.000 1.067 456 V CA 3.116 65.301 62.300 -0.192 0.000 1.081 456 V CB -0.705 31.059 31.823 -0.098 0.000 0.686 456 V HN -0.181 7.849 8.190 -0.121 0.088 0.468 457 T N -5.419 109.096 114.554 -0.065 0.000 3.244 457 T HA 0.210 nan 4.350 nan 0.000 0.254 457 T C 0.223 175.034 174.700 0.185 0.000 1.024 457 T CA -1.443 60.702 62.100 0.075 0.000 0.920 457 T CB -0.591 68.317 68.868 0.066 0.000 1.042 457 T HN 0.002 8.211 8.240 -0.051 0.000 0.572 458 Y N -0.626 119.692 120.300 0.030 0.000 3.078 458 Y HA -0.552 nan 4.550 nan 0.000 0.202 458 Y C 0.206 176.122 175.900 0.026 0.000 1.322 458 Y CA 0.637 58.751 58.100 0.024 0.000 1.118 458 Y CB -3.154 35.306 38.460 0.000 0.000 1.343 458 Y HN 0.176 8.067 8.280 -0.338 0.187 0.499 459 G N -4.430 104.441 108.800 0.118 0.000 2.168 459 G HA2 -0.567 nan 3.960 nan 0.000 0.263 459 G HA3 -0.567 nan 3.960 nan 0.000 0.263 459 G C -0.557 174.414 174.900 0.119 0.000 0.977 459 G CA -0.193 44.977 45.100 0.116 0.000 0.659 459 G HN 0.495 8.821 8.290 0.060 0.000 0.533 460 R N 1.463 122.031 120.500 0.112 0.000 2.421 460 R HA -0.060 nan 4.340 nan 0.000 0.305 460 R C -0.163 176.182 176.300 0.076 0.000 1.039 460 R CA 0.170 56.323 56.100 0.089 0.000 1.003 460 R CB 0.302 30.650 30.300 0.079 0.000 0.959 460 R HN -0.215 7.934 8.270 0.126 0.197 0.427 461 I N 8.011 128.630 120.570 0.082 0.000 2.880 461 I HA -0.216 nan 4.170 nan 0.000 0.296 461 I C -0.323 175.791 176.117 -0.005 0.000 1.220 461 I CA -1.965 59.383 61.300 0.079 0.000 1.435 461 I CB -1.722 36.337 38.000 0.099 0.000 1.339 461 I HN 0.322 8.582 8.210 0.084 0.000 0.583 462 P HA -0.210 nan 4.420 nan 0.000 0.224 462 P C -1.195 175.999 177.300 -0.177 0.000 0.880 462 P CA 1.742 64.690 63.100 -0.254 0.000 1.070 462 P CB 0.311 31.745 31.700 -0.442 0.000 0.652 463 Y N -5.300 114.926 120.300 -0.122 0.000 2.535 463 Y HA 0.183 nan 4.550 nan 0.000 0.349 463 Y C -2.389 173.501 175.900 -0.017 0.000 0.992 463 Y CA -2.908 55.170 58.100 -0.036 0.000 1.248 463 Y CB -0.968 37.482 38.460 -0.017 0.000 1.124 463 Y HN -0.071 8.377 8.280 0.280 0.000 0.520 464 P HA -0.176 nan 4.420 nan 0.000 0.268 464 P C 0.596 177.935 177.300 0.065 0.000 1.205 464 P CA 0.207 63.346 63.100 0.065 0.000 0.771 464 P CB 0.483 32.211 31.700 0.046 0.000 0.858 465 G N 3.785 112.614 108.800 0.048 0.000 5.353 465 G HA2 -0.314 nan 3.960 nan 0.000 0.283 465 G HA3 -0.314 nan 3.960 nan 0.000 0.283 465 G C -0.759 174.157 174.900 0.027 0.000 1.457 465 G CA 0.386 45.505 45.100 0.032 0.000 0.951 465 G HN 0.236 8.555 8.290 0.048 0.000 0.731 466 M N 3.589 123.204 119.600 0.025 0.000 2.685 466 M HA -0.064 nan 4.480 nan 0.000 0.344 466 M C -0.871 175.426 176.300 -0.007 0.000 1.754 466 M CA 0.359 55.656 55.300 -0.004 0.000 1.263 466 M CB -0.685 31.897 32.600 -0.031 0.000 2.042 466 M HN -0.463 7.795 8.290 0.043 0.058 0.459 467 S N 6.660 122.355 115.700 -0.008 0.000 2.448 467 S HA 0.049 nan 4.470 nan 0.000 0.279 467 S C 0.273 174.858 174.600 -0.025 0.000 1.195 467 S CA 0.098 58.297 58.200 -0.001 0.000 1.051 467 S CB -0.081 63.126 63.200 0.011 0.000 0.948 467 S HN -0.118 8.343 8.310 -0.010 -0.157 0.493 468 N N 7.922 126.604 118.700 -0.029 0.000 1.574 468 N HA -0.438 nan 4.740 nan 0.000 0.142 468 N C -1.198 174.269 175.510 -0.072 0.000 0.334 468 N CA 3.946 56.970 53.050 -0.043 0.000 1.233 468 N CB -2.111 36.382 38.487 0.010 0.000 1.379 468 N HN -0.092 8.276 8.380 -0.021 0.000 0.418 469 P HA -0.142 nan 4.420 nan 0.000 0.225 469 P C 1.298 178.547 177.300 -0.085 0.000 1.148 469 P CA 2.224 65.280 63.100 -0.073 0.000 0.779 469 P CB -0.254 31.412 31.700 -0.057 0.000 0.780 470 E N -0.628 119.522 120.200 -0.084 0.000 2.038 470 E HA -0.410 nan 4.350 nan 0.000 0.195 470 E C 2.402 178.922 176.600 -0.133 0.000 1.000 470 E CA 3.508 59.851 56.400 -0.095 0.000 0.803 470 E CB -0.449 29.201 29.700 -0.084 0.000 0.750 470 E HN -0.510 7.769 8.360 -0.071 0.039 0.448 471 V N -0.899 118.904 119.914 -0.185 0.000 2.407 471 V HA -0.334 nan 4.120 nan 0.000 0.248 471 V C 2.094 178.047 176.094 -0.235 0.000 1.055 471 V CA 3.934 66.050 62.300 -0.306 0.000 1.049 471 V CB -1.007 30.505 31.823 -0.518 0.000 0.662 471 V HN 0.190 8.196 8.190 -0.164 0.086 0.455 472 I N -4.360 116.108 120.570 -0.169 0.000 2.286 472 I HA -0.471 nan 4.170 nan 0.000 0.248 472 I C 1.408 177.465 176.117 -0.100 0.000 1.115 472 I CA 3.634 64.853 61.300 -0.136 0.000 1.392 472 I CB -0.507 37.425 38.000 -0.114 0.000 1.065 472 I HN -0.887 7.136 8.210 -0.151 0.096 0.418 473 R N -1.092 119.356 120.500 -0.087 0.000 2.127 473 R HA -0.134 nan 4.340 nan 0.000 0.217 473 R C 2.141 178.415 176.300 -0.043 0.000 1.074 473 R CA 2.408 58.473 56.100 -0.060 0.000 0.991 473 R CB -0.742 29.524 30.300 -0.056 0.000 0.895 473 R HN -0.434 7.779 8.270 -0.095 0.000 0.450 474 A N 0.690 123.474 122.820 -0.060 0.000 2.024 474 A HA -0.205 nan 4.320 nan 0.000 0.220 474 A C 1.858 179.481 177.584 0.064 0.000 1.164 474 A CA 2.918 54.942 52.037 -0.021 0.000 0.643 474 A CB -0.720 18.242 19.000 -0.063 0.000 0.806 474 A HN 0.277 8.372 8.150 -0.091 0.000 0.451 475 L N -4.113 117.128 121.223 0.030 0.000 2.341 475 L HA -0.187 nan 4.340 nan 0.000 0.214 475 L C 2.943 179.855 176.870 0.070 0.000 1.115 475 L CA 2.471 57.361 54.840 0.083 0.000 0.820 475 L CB -0.782 41.312 42.059 0.059 0.000 0.944 475 L HN -0.226 7.972 8.230 -0.035 0.012 0.452 476 E N 0.560 120.776 120.200 0.026 0.000 2.106 476 E HA -0.226 nan 4.350 nan 0.000 0.192 476 E C 1.572 178.196 176.600 0.041 0.000 0.984 476 E CA 2.374 58.788 56.400 0.024 0.000 0.806 476 E CB -0.787 28.913 29.700 -0.001 0.000 0.750 476 E HN -0.487 7.770 8.360 0.000 0.103 0.458 477 R N -3.200 117.328 120.500 0.046 0.000 2.307 477 R HA 0.011 nan 4.340 nan 0.000 0.199 477 R C 0.453 176.808 176.300 0.093 0.000 1.000 477 R CA -0.165 55.969 56.100 0.057 0.000 1.023 477 R CB 0.193 30.519 30.300 0.043 0.000 0.908 477 R HN -0.108 8.178 8.270 0.035 0.005 0.473 478 G N -1.542 107.327 108.800 0.115 0.000 2.143 478 G HA2 -0.413 nan 3.960 nan 0.000 0.249 478 G HA3 -0.413 nan 3.960 nan 0.000 0.249 478 G C -0.476 174.527 174.900 0.171 0.000 0.981 478 G CA -0.126 45.053 45.100 0.132 0.000 0.665 478 G HN -0.438 7.704 8.290 0.108 0.213 0.528 479 Y N 0.646 120.985 120.300 0.064 0.000 2.379 479 Y HA -0.165 nan 4.550 nan 0.000 0.337 479 Y C -1.121 174.833 175.900 0.090 0.000 1.238 479 Y CA 0.206 58.350 58.100 0.074 0.000 1.405 479 Y CB 0.891 39.388 38.460 0.061 0.000 1.310 479 Y HN -0.407 8.036 8.280 0.271 0.000 0.569 480 R N 5.425 125.605 120.500 -0.533 0.000 2.774 480 R HA 0.254 nan 4.340 nan 0.000 0.272 480 R C -1.831 173.875 176.300 -0.990 0.000 1.000 480 R CA -1.896 53.891 56.100 -0.522 0.000 0.906 480 R CB 3.306 33.530 30.300 -0.125 0.000 1.227 480 R HN 0.504 8.345 8.270 -0.716 0.000 0.468 481 M N 3.475 122.685 119.600 -0.650 0.000 2.245 481 M HA 0.117 nan 4.480 nan 0.000 0.344 481 M C -1.225 175.018 176.300 -0.096 0.000 1.170 481 M CA -1.079 53.974 55.300 -0.411 0.000 1.135 481 M CB -0.241 32.166 32.600 -0.323 0.000 1.574 481 M HN 0.314 8.212 8.290 -0.652 0.000 0.452 482 P HA -0.071 nan 4.420 nan 0.000 0.271 482 P C -1.383 175.825 177.300 -0.154 0.000 1.244 482 P CA -0.233 62.834 63.100 -0.055 0.000 0.793 482 P CB 0.454 32.144 31.700 -0.017 0.000 0.984 483 R N -0.236 119.980 120.500 -0.473 0.000 2.296 483 R HA 0.151 nan 4.340 nan 0.000 0.323 483 R C -1.239 174.921 176.300 -0.234 0.000 1.067 483 R CA -1.899 53.846 56.100 -0.591 0.000 0.946 483 R CB -0.062 29.701 30.300 -0.894 0.000 0.991 483 R HN 0.228 8.215 8.270 -0.471 0.000 0.448 484 P HA -0.079 nan 4.420 nan 0.000 0.261 484 P C -0.287 176.982 177.300 -0.051 0.000 1.173 484 P CA -0.075 62.995 63.100 -0.049 0.000 0.760 484 P CB 0.838 32.533 31.700 -0.008 0.000 0.783 485 E N 2.756 122.938 120.200 -0.031 0.000 2.463 485 E HA -0.223 nan 4.350 nan 0.000 0.201 485 E C 0.084 176.685 176.600 0.001 0.000 1.045 485 E CA 1.813 58.199 56.400 -0.023 0.000 0.872 485 E CB -0.519 29.173 29.700 -0.013 0.000 0.797 485 E HN 0.541 8.888 8.360 -0.022 0.000 0.538 486 N N -4.245 114.466 118.700 0.020 0.000 2.299 486 N HA -0.082 nan 4.740 nan 0.000 0.187 486 N C -0.472 175.063 175.510 0.041 0.000 1.099 486 N CA -0.293 52.783 53.050 0.044 0.000 0.867 486 N CB -0.234 38.304 38.487 0.085 0.000 0.974 486 N HN -0.369 7.960 8.380 0.019 0.063 0.477 487 C N 4.364 123.675 119.300 0.018 0.000 2.347 487 C HA 0.528 nan 4.460 nan 0.000 0.353 487 C C -1.851 173.160 174.990 0.036 0.000 1.273 487 C CA -3.098 55.931 59.018 0.019 0.000 1.861 487 C CB -0.042 27.699 27.740 0.002 0.000 2.420 487 C HN 0.007 8.066 8.230 -0.001 0.171 0.542 488 P HA 0.071 nan 4.420 nan 0.000 0.269 488 P C 0.271 177.643 177.300 0.118 0.000 1.209 488 P CA -0.242 62.920 63.100 0.104 0.000 0.776 488 P CB 0.788 32.595 31.700 0.179 0.000 0.876 489 E N 3.662 123.917 120.200 0.093 0.000 2.085 489 E HA -0.326 nan 4.350 nan 0.000 0.194 489 E C 2.035 178.726 176.600 0.151 0.000 0.994 489 E CA 3.881 60.353 56.400 0.121 0.000 0.801 489 E CB -0.292 29.450 29.700 0.071 0.000 0.743 489 E HN 0.612 9.009 8.360 0.061 0.000 0.453 490 E N -2.963 117.314 120.200 0.129 0.000 2.347 490 E HA -0.201 nan 4.350 nan 0.000 0.196 490 E C 2.085 178.817 176.600 0.220 0.000 1.008 490 E CA 2.312 58.793 56.400 0.135 0.000 0.852 490 E CB -0.712 29.008 29.700 0.032 0.000 0.783 490 E HN 0.429 8.835 8.360 0.113 0.021 0.505 491 L N 0.407 121.754 121.223 0.206 0.000 2.202 491 L HA -0.148 nan 4.340 nan 0.000 0.205 491 L C 0.744 177.579 176.870 -0.059 0.000 1.083 491 L CA 2.123 56.958 54.840 -0.009 0.000 0.790 491 L CB -0.034 41.946 42.059 -0.132 0.000 0.942 491 L HN -0.246 7.960 8.230 0.225 0.159 0.452 492 Y N 0.336 120.576 120.300 -0.101 0.000 2.165 492 Y HA -0.551 nan 4.550 nan 0.000 0.286 492 Y C 1.418 177.208 175.900 -0.183 0.000 1.155 492 Y CA 3.513 61.522 58.100 -0.151 0.000 1.164 492 Y CB -0.348 38.059 38.460 -0.087 0.000 0.978 492 Y HN 0.084 8.404 8.280 0.180 0.069 0.513 493 N N -0.787 117.806 118.700 -0.179 0.000 2.120 493 N HA -0.354 nan 4.740 nan 0.000 0.188 493 N C 2.177 177.517 175.510 -0.284 0.000 1.024 493 N CA 3.691 56.602 53.050 -0.231 0.000 0.852 493 N CB 0.101 38.553 38.487 -0.057 0.000 1.003 493 N HN 0.146 8.344 8.380 0.017 0.192 0.424 494 I N 0.227 120.673 120.570 -0.207 0.000 2.208 494 I HA -0.461 nan 4.170 nan 0.000 0.245 494 I C 1.981 177.848 176.117 -0.417 0.000 1.097 494 I CA 2.487 63.668 61.300 -0.198 0.000 1.363 494 I CB -1.034 36.902 38.000 -0.107 0.000 1.051 494 I HN -0.746 7.312 8.210 -0.125 0.077 0.413 495 M N -0.497 118.727 119.600 -0.627 0.000 2.065 495 M HA -0.563 nan 4.480 nan 0.000 0.259 495 M C 2.576 177.962 176.300 -1.524 0.000 1.069 495 M CA 4.311 58.915 55.300 -1.160 0.000 1.110 495 M CB -0.052 31.785 32.600 -1.273 0.000 1.328 495 M HN -0.123 7.861 8.290 -0.509 0.000 0.405 496 M N -2.687 116.236 119.600 -1.128 0.000 2.106 496 M HA -0.404 nan 4.480 nan 0.000 0.259 496 M C 2.083 178.101 176.300 -0.469 0.000 1.068 496 M CA 2.692 57.559 55.300 -0.722 0.000 1.100 496 M CB -0.968 31.271 32.600 -0.602 0.000 1.351 496 M HN -0.072 7.569 8.290 -1.082 0.000 0.404 497 R N -3.820 116.435 120.500 -0.407 0.000 2.115 497 R HA -0.163 nan 4.340 nan 0.000 0.230 497 R C 2.926 179.078 176.300 -0.247 0.000 1.111 497 R CA 2.456 58.406 56.100 -0.251 0.000 0.976 497 R CB 0.209 30.402 30.300 -0.178 0.000 0.870 497 R HN -0.258 7.655 8.270 -0.442 0.092 0.445 498 C N -0.918 118.151 119.300 -0.385 0.000 2.440 498 C HA -0.130 nan 4.460 nan 0.000 0.278 498 C C 2.336 177.214 174.990 -0.187 0.000 1.295 498 C CA 3.183 62.027 59.018 -0.289 0.000 1.738 498 C CB -1.238 26.274 27.740 -0.381 0.000 1.987 498 C HN -0.145 7.685 8.230 -0.523 0.085 0.492 499 W N -2.240 118.765 121.300 -0.492 0.000 3.468 499 W HA 0.022 nan 4.660 nan 0.000 0.352 499 W C -0.977 175.354 176.519 -0.314 0.000 1.212 499 W CA -2.707 54.139 57.345 -0.832 0.000 1.770 499 W CB -2.198 26.695 29.460 -0.945 0.000 1.005 499 W HN -0.172 7.496 8.180 -0.680 0.104 0.766 500 K N 2.361 122.803 120.400 0.070 0.000 2.220 500 K HA -0.073 nan 4.320 nan 0.000 0.283 500 K C 1.234 177.962 176.600 0.213 0.000 1.098 500 K CA -1.263 55.081 56.287 0.095 0.000 0.928 500 K CB -1.113 31.402 32.500 0.025 0.000 1.214 500 K HN -0.827 7.341 8.250 0.043 0.107 0.442 501 N N 5.726 124.587 118.700 0.268 0.000 2.297 501 N HA -0.470 nan 4.740 nan 0.000 0.198 501 N C -0.580 175.037 175.510 0.177 0.000 0.934 501 N CA 2.498 55.714 53.050 0.276 0.000 0.936 501 N CB 0.477 39.072 38.487 0.181 0.000 1.065 501 N HN -0.078 8.420 8.380 0.247 0.030 0.645 502 R N -1.954 118.615 120.500 0.116 0.000 2.205 502 R HA 0.280 nan 4.340 nan 0.000 0.342 502 R C -0.860 175.481 176.300 0.068 0.000 1.058 502 R CA -2.451 53.689 56.100 0.066 0.000 0.904 502 R CB -0.049 30.271 30.300 0.033 0.000 1.089 502 R HN -0.190 8.088 8.270 0.110 0.059 0.471 503 P HA -0.233 nan 4.420 nan 0.000 0.215 503 P C 0.741 178.064 177.300 0.038 0.000 1.153 503 P CA 2.642 65.787 63.100 0.075 0.000 0.853 503 P CB 0.061 31.791 31.700 0.051 0.000 0.788 504 E N -2.991 117.216 120.200 0.012 0.000 2.516 504 E HA -0.134 nan 4.350 nan 0.000 0.199 504 E C 1.296 177.884 176.600 -0.021 0.000 1.069 504 E CA 1.883 58.279 56.400 -0.007 0.000 0.876 504 E CB -2.000 27.692 29.700 -0.013 0.000 0.843 504 E HN 0.389 8.754 8.360 0.008 0.000 0.530 505 E N -0.735 119.458 120.200 -0.012 0.000 2.481 505 E HA 0.109 nan 4.350 nan 0.000 0.198 505 E C -0.323 176.252 176.600 -0.042 0.000 1.027 505 E CA -0.942 55.440 56.400 -0.030 0.000 0.900 505 E CB 0.909 30.600 29.700 -0.015 0.000 0.993 505 E HN -0.275 7.899 8.360 0.009 0.192 0.482 506 R N -0.020 120.464 120.500 -0.027 0.000 2.490 506 R HA 0.244 nan 4.340 nan 0.000 0.278 506 R C -1.924 174.317 176.300 -0.099 0.000 1.069 506 R CA -1.965 54.107 56.100 -0.047 0.000 1.080 506 R CB -0.216 30.085 30.300 0.001 0.000 1.030 506 R HN -0.392 7.689 8.270 -0.010 0.184 0.491 507 P HA 0.082 nan 4.420 nan 0.000 0.276 507 P C -0.980 176.225 177.300 -0.158 0.000 1.261 507 P CA -0.701 62.314 63.100 -0.142 0.000 0.800 507 P CB 0.426 32.079 31.700 -0.079 0.000 1.066 508 T N -6.030 108.469 114.554 -0.092 0.000 2.913 508 T HA 0.234 nan 4.350 nan 0.000 0.287 508 T C 1.262 175.913 174.700 -0.082 0.000 1.008 508 T CA -0.951 61.102 62.100 -0.079 0.000 1.067 508 T CB 1.163 70.035 68.868 0.008 0.000 0.996 508 T HN -0.250 7.955 8.240 -0.058 0.000 0.513 509 F N 1.684 121.601 119.950 -0.054 0.000 2.333 509 F HA -0.274 nan 4.527 nan 0.000 0.300 509 F C 1.504 177.244 175.800 -0.100 0.000 1.083 509 F CA 3.507 61.424 58.000 -0.139 0.000 1.395 509 F CB -0.313 38.586 39.000 -0.169 0.000 1.056 509 F HN 0.151 8.672 8.300 0.022 -0.208 0.529 510 E N 0.424 120.704 120.200 0.133 0.000 2.051 510 E HA -0.428 nan 4.350 nan 0.000 0.192 510 E C 1.802 178.451 176.600 0.082 0.000 0.991 510 E CA 3.278 59.728 56.400 0.082 0.000 0.799 510 E CB -0.286 29.458 29.700 0.073 0.000 0.748 510 E HN -0.357 8.163 8.360 0.135 -0.079 0.449 511 Y N -0.110 120.172 120.300 -0.031 0.000 2.163 511 Y HA -0.287 nan 4.550 nan 0.000 0.288 511 Y C 2.292 178.167 175.900 -0.042 0.000 1.136 511 Y CA 3.014 61.090 58.100 -0.041 0.000 1.147 511 Y CB 0.135 38.559 38.460 -0.061 0.000 0.987 511 Y HN -0.812 7.474 8.280 0.177 0.099 0.509 512 I N -0.590 119.962 120.570 -0.030 0.000 2.194 512 I HA -0.687 nan 4.170 nan 0.000 0.246 512 I C 1.456 177.480 176.117 -0.155 0.000 1.093 512 I CA 4.174 65.389 61.300 -0.141 0.000 1.355 512 I CB -0.420 37.490 38.000 -0.149 0.000 1.046 512 I HN 0.158 8.411 8.210 0.072 0.000 0.413 513 Q N -0.350 119.392 119.800 -0.096 0.000 2.079 513 Q HA -0.370 nan 4.340 nan 0.000 0.200 513 Q C 2.439 178.387 176.000 -0.086 0.000 0.974 513 Q CA 3.778 59.539 55.803 -0.070 0.000 0.840 513 Q CB -0.005 28.712 28.738 -0.035 0.000 0.898 513 Q HN 0.172 8.412 8.270 -0.051 0.000 0.430 514 S N 0.097 115.726 115.700 -0.117 0.000 2.383 514 S HA -0.298 nan 4.470 nan 0.000 0.229 514 S C 2.302 176.812 174.600 -0.150 0.000 1.030 514 S CA 3.577 61.708 58.200 -0.116 0.000 1.002 514 S CB -0.506 62.631 63.200 -0.105 0.000 0.829 514 S HN -0.279 7.897 8.310 -0.108 0.069 0.467 515 V N 3.282 123.036 119.914 -0.267 0.000 2.302 515 V HA -0.215 nan 4.120 nan 0.000 0.243 515 V C 1.087 177.170 176.094 -0.019 0.000 1.036 515 V CA 3.812 65.980 62.300 -0.220 0.000 1.020 515 V CB -0.402 31.181 31.823 -0.400 0.000 0.657 515 V HN -0.549 7.401 8.190 -0.358 0.025 0.453 516 L N -4.198 116.998 121.223 -0.045 0.000 2.141 516 L HA -0.254 nan 4.340 nan 0.000 0.209 516 L C 2.543 179.437 176.870 0.040 0.000 1.094 516 L CA 2.275 57.105 54.840 -0.016 0.000 0.763 516 L CB -0.225 41.812 42.059 -0.036 0.000 0.908 516 L HN -0.085 8.082 8.230 -0.106 0.000 0.437 517 D N -0.123 120.288 120.400 0.018 0.000 2.144 517 D HA -0.210 nan 4.640 nan 0.000 0.199 517 D C 0.448 176.785 176.300 0.062 0.000 0.984 517 D CA 3.589 57.608 54.000 0.032 0.000 0.834 517 D CB 0.002 40.804 40.800 0.004 0.000 0.955 517 D HN 0.056 8.416 8.370 -0.016 0.000 0.465 518 D N -2.229 118.202 120.400 0.051 0.000 3.008 518 D HA 0.234 nan 4.640 nan 0.000 0.312 518 D C 0.662 176.997 176.300 0.058 0.000 1.361 518 D CA -0.962 53.071 54.000 0.055 0.000 0.858 518 D CB -0.438 40.365 40.800 0.005 0.000 1.098 518 D HN -0.738 7.645 8.370 0.022 0.000 0.482 519 F N 2.069 121.967 119.950 -0.086 0.000 2.365 519 F HA -0.252 nan 4.527 nan 0.000 0.300 519 F C -0.349 175.248 175.800 -0.339 0.000 1.090 519 F CA 2.839 60.700 58.000 -0.231 0.000 1.408 519 F CB 0.561 39.387 39.000 -0.290 0.000 1.060 519 F HN -0.698 7.583 8.300 0.235 0.160 0.534 520 Y N -4.760 115.563 120.300 0.039 0.000 2.584 520 Y HA 0.185 nan 4.550 nan 0.000 0.254 520 Y C -1.001 174.864 175.900 -0.060 0.000 1.177 520 Y CA -0.318 57.756 58.100 -0.043 0.000 1.216 520 Y CB 0.266 38.731 38.460 0.008 0.000 1.172 520 Y HN -0.456 7.962 8.280 0.269 0.024 0.529 521 T N 1.697 116.272 114.554 0.036 0.000 2.861 521 T HA 0.187 nan 4.350 nan 0.000 0.287 521 T C -1.545 173.134 174.700 -0.035 0.000 1.003 521 T CA -0.707 61.401 62.100 0.012 0.000 0.977 521 T CB 2.244 71.131 68.868 0.031 0.000 0.996 521 T HN -0.801 7.271 8.240 -0.004 0.166 0.448 522 A N 4.380 127.179 122.820 -0.035 0.000 2.388 522 A HA 0.238 nan 4.320 nan 0.000 0.257 522 A C 1.466 179.029 177.584 -0.035 0.000 1.095 522 A CA -0.479 51.530 52.037 -0.046 0.000 0.791 522 A CB 0.774 19.751 19.000 -0.039 0.000 1.029 522 A HN 0.225 8.361 8.150 -0.023 0.000 0.489 523 T N 3.749 118.281 114.554 -0.036 0.000 2.778 523 T HA -0.324 nan 4.350 nan 0.000 0.269 523 T C 2.007 176.693 174.700 -0.023 0.000 1.050 523 T CA 3.474 65.558 62.100 -0.027 0.000 1.137 523 T CB -0.404 68.451 68.868 -0.023 0.000 0.860 523 T HN 0.537 8.751 8.240 -0.044 0.000 0.468 524 E N 0.085 120.271 120.200 -0.022 0.000 2.204 524 E HA -0.079 nan 4.350 nan 0.000 0.194 524 E C 0.627 177.214 176.600 -0.023 0.000 0.989 524 E CA 1.896 58.284 56.400 -0.019 0.000 0.824 524 E CB -0.132 29.558 29.700 -0.017 0.000 0.756 524 E HN 0.363 8.702 8.360 -0.025 0.007 0.477 525 S N -1.632 114.053 115.700 -0.025 0.000 2.582 525 S HA 0.212 nan 4.470 nan 0.000 0.234 525 S C -0.518 174.065 174.600 -0.029 0.000 0.961 525 S CA -0.091 58.091 58.200 -0.030 0.000 0.953 525 S CB 0.497 63.681 63.200 -0.027 0.000 0.800 525 S HN -0.615 7.544 8.310 -0.024 0.136 0.471 529 Q N 2.203 122.002 119.800 -0.002 0.000 2.311 529 Q HA -0.120 nan 4.340 nan 0.000 0.272 529 Q C 0.022 176.073 176.000 0.084 0.000 1.012 529 Q CA -0.042 55.782 55.803 0.034 0.000 0.891 529 Q CB 0.481 29.238 28.738 0.032 0.000 1.201 529 Q HN 0.158 8.423 8.270 -0.008 0.000 0.391 530 Q N 4.561 124.411 119.800 0.083 0.000 2.320 530 Q HA -0.053 nan 4.340 nan 0.000 0.311 530 Q C -1.416 174.645 176.000 0.101 0.000 1.083 530 Q CA -0.971 54.893 55.803 0.102 0.000 1.001 530 Q CB 0.471 29.254 28.738 0.075 0.000 1.074 530 Q HN 0.175 8.481 8.270 0.059 0.000 0.379 531 P HA 0.000 nan 4.420 nan 0.000 0.216 531 P CA 0.000 63.154 63.100 0.090 0.000 0.800 531 P CB 0.000 31.746 31.700 0.076 0.000 0.726