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 3h45_1_O DATA FIRST_RESID 2 DATA SEQUENCE AEKNYVMAID QGTTSSRAII FDRNGKKIGS SQKEFPQYFP KSGWVEHNAN DATA SEQUENCE EIWNSVQSVI AGAFIESGIR PEAIAGIGIT NQRETTVVWD KTTGQPIANA DATA SEQUENCE IVWQSRQSSP IADQLKVDGH TEMIHEKTGL VIDAYFSATK VRWLLDNIEG DATA SEQUENCE AQEKADNGEL LFGTIDSWLV WKLTDGQVHV TDYSNASRTM LYNIHKLEWD DATA SEQUENCE QEILDLLNIP SSMLPEVKSN SEVYGHTRSY EFYGSEVPIA GMAGDQQAAL DATA SEQUENCE FGQMAFEKGM IKNTYGTGAF IVMNTGEEPQ LSDNDLLTTI GYGINGKVYY DATA SEQUENCE ALEGSIFVAG SAIQWLRDGL RMIETSPQSE ELAAKAKGDN EVYVVPAFTG DATA SEQUENCE LGAPYWDSEA RGAVFGLTRG TTKEDFVRAT LQAVAYQSKD VIDTMKKDSG DATA SEQUENCE IDIPLLKVDG GAAKNDLLMQ FQADILDIDV QRAANLETTA LGAAYLAGLA DATA SEQUENCE VGFWKDLDEL KSMAEEGQMF TPEMPAEERD NLYEGWKQAV AATQTFKFKA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 3 E N 0.116 120.319 120.200 0.005 0.000 2.132 3 E HA 0.204 4.554 4.350 -0.001 0.000 0.193 3 E C 0.419 177.033 176.600 0.024 0.000 0.951 3 E CA 0.364 56.775 56.400 0.018 0.000 0.843 3 E CB -0.154 29.564 29.700 0.031 0.000 0.807 3 E HN 0.144 nan 8.360 nan 0.000 0.467 4 K N 2.237 122.659 120.400 0.036 0.000 1.985 4 K HA 0.066 4.385 4.320 -0.001 0.000 0.234 4 K C -0.625 176.018 176.600 0.072 0.000 1.140 4 K CA 0.086 56.408 56.287 0.058 0.000 1.141 4 K CB -0.410 32.125 32.500 0.060 0.000 1.165 4 K HN 0.203 nan 8.250 nan 0.000 0.301 5 N N 2.714 121.399 118.700 -0.025 0.000 2.416 5 N HA 0.101 4.840 4.740 -0.001 0.000 0.267 5 N C -1.159 174.150 175.510 -0.335 0.000 1.294 5 N CA -0.079 52.895 53.050 -0.126 0.000 0.891 5 N CB 0.458 38.724 38.487 -0.368 0.000 1.238 5 N HN 0.235 nan 8.380 nan 0.000 0.508 6 Y N -1.235 119.148 120.300 0.138 0.000 2.638 6 Y HA 0.491 5.040 4.550 -0.002 0.000 0.335 6 Y C -0.421 175.211 175.900 -0.447 0.000 1.155 6 Y CA -0.905 57.187 58.100 -0.014 0.000 1.046 6 Y CB 1.600 40.113 38.460 0.088 0.000 1.303 6 Y HN -0.347 nan 8.280 nan 0.000 0.460 7 V N 2.926 122.761 119.914 -0.133 0.000 2.623 7 V HA 0.426 4.546 4.120 -0.001 0.000 0.304 7 V C -0.767 175.400 176.094 0.122 0.000 1.054 7 V CA -0.822 61.363 62.300 -0.192 0.000 0.882 7 V CB 1.984 33.575 31.823 -0.387 0.000 1.002 7 V HN 0.795 nan 8.190 nan 0.000 0.424 8 M N 4.667 124.327 119.600 0.100 0.000 2.300 8 M HA 0.829 5.309 4.480 -0.001 0.000 0.348 8 M C -0.289 176.102 176.300 0.151 0.000 1.151 8 M CA -0.341 55.031 55.300 0.121 0.000 1.046 8 M CB 1.432 34.081 32.600 0.083 0.000 1.647 8 M HN 0.764 nan 8.290 nan 0.000 0.451 9 A N 5.872 128.811 122.820 0.198 0.000 2.337 9 A HA 0.769 5.089 4.320 -0.001 0.000 0.329 9 A C -1.093 176.564 177.584 0.121 0.000 1.146 9 A CA -0.783 51.366 52.037 0.187 0.000 0.800 9 A CB 0.940 20.117 19.000 0.294 0.000 1.220 9 A HN 0.764 nan 8.150 nan 0.000 0.472 10 I N 2.435 123.066 120.570 0.101 0.000 2.389 10 I HA 0.296 4.466 4.170 -0.001 0.000 0.288 10 I C -0.906 175.265 176.117 0.089 0.000 0.999 10 I CA -0.381 60.971 61.300 0.087 0.000 1.129 10 I CB 1.544 39.601 38.000 0.095 0.000 1.288 10 I HN 0.632 nan 8.210 nan 0.000 0.444 11 D N 6.393 126.848 120.400 0.090 0.000 2.472 11 D HA 0.081 4.720 4.640 -0.001 0.000 0.234 11 D C -0.192 176.179 176.300 0.118 0.000 1.088 11 D CA -0.310 53.750 54.000 0.099 0.000 0.882 11 D CB 0.947 41.806 40.800 0.099 0.000 1.037 11 D HN 0.267 nan 8.370 nan 0.000 0.520 12 Q N 2.937 122.814 119.800 0.128 0.000 2.423 12 Q HA 0.378 4.717 4.340 -0.001 0.000 0.235 12 Q C 0.033 176.161 176.000 0.212 0.000 1.100 12 Q CA -0.380 55.519 55.803 0.160 0.000 0.908 12 Q CB 0.700 29.524 28.738 0.143 0.000 1.312 12 Q HN 0.607 nan 8.270 nan 0.000 0.497 13 G N 1.970 110.925 108.800 0.258 0.000 2.525 13 G HA2 0.208 4.168 3.960 -0.001 0.000 0.287 13 G HA3 0.208 4.168 3.960 -0.001 0.000 0.287 13 G C 0.661 175.820 174.900 0.432 0.000 1.350 13 G CA -0.092 45.188 45.100 0.299 0.000 1.039 13 G HN 0.556 nan 8.290 nan 0.000 0.513 14 T N -0.526 114.288 114.554 0.434 0.000 2.857 14 T HA -0.049 4.300 4.350 -0.001 0.000 0.266 14 T C 2.205 177.033 174.700 0.213 0.000 1.048 14 T CA 1.962 64.371 62.100 0.515 0.000 1.139 14 T CB -0.175 69.032 68.868 0.566 0.000 0.874 14 T HN 0.698 nan 8.240 nan 0.000 0.455 15 T N -1.333 113.216 114.554 -0.008 0.000 3.058 15 T HA 0.392 4.742 4.350 -0.001 0.000 0.278 15 T C 0.484 174.880 174.700 -0.507 0.000 0.974 15 T CA 0.044 61.896 62.100 -0.414 0.000 0.893 15 T CB 0.276 69.051 68.868 -0.156 0.000 1.138 15 T HN 0.399 nan 8.240 nan 0.000 0.529 16 S N -0.134 115.509 115.700 -0.095 0.000 2.615 16 S HA 0.777 5.247 4.470 -0.001 0.000 0.269 16 S C -1.333 173.428 174.600 0.267 0.000 1.161 16 S CA -0.700 57.549 58.200 0.081 0.000 0.817 16 S CB 1.847 65.070 63.200 0.039 0.000 1.131 16 S HN 0.155 nan 8.310 nan 0.000 0.467 17 S N 0.106 115.942 115.700 0.226 0.000 2.568 17 S HA 0.835 5.305 4.470 -0.001 0.000 0.293 17 S C -0.957 173.700 174.600 0.096 0.000 1.089 17 S CA -0.861 57.443 58.200 0.172 0.000 0.945 17 S CB 1.701 64.988 63.200 0.146 0.000 1.077 17 S HN 0.794 nan 8.310 nan 0.000 0.485 18 R N 0.611 121.155 120.500 0.073 0.000 2.584 18 R HA 0.676 5.015 4.340 -0.001 0.000 0.276 18 R C -1.963 174.347 176.300 0.016 0.000 1.046 18 R CA -0.506 55.614 56.100 0.034 0.000 0.906 18 R CB 1.498 31.823 30.300 0.041 0.000 1.215 18 R HN 0.754 nan 8.270 nan 0.000 0.449 19 A N 5.695 128.494 122.820 -0.035 0.000 2.330 19 A HA 0.660 4.979 4.320 -0.001 0.000 0.313 19 A C -0.990 176.517 177.584 -0.129 0.000 1.124 19 A CA -0.707 51.291 52.037 -0.065 0.000 0.774 19 A CB 0.995 19.929 19.000 -0.111 0.000 1.198 19 A HN 0.481 nan 8.150 nan 0.000 0.465 20 I N 2.440 122.930 120.570 -0.134 0.000 2.689 20 I HA 0.469 4.639 4.170 -0.001 0.000 0.299 20 I C -0.462 175.453 176.117 -0.337 0.000 1.059 20 I CA -0.586 60.531 61.300 -0.305 0.000 1.055 20 I CB 1.766 39.489 38.000 -0.462 0.000 1.243 20 I HN 0.544 nan 8.210 nan 0.000 0.425 21 I N 4.705 125.021 120.570 -0.424 0.000 2.378 21 I HA 0.383 4.553 4.170 -0.001 0.000 0.291 21 I C -0.857 175.070 176.117 -0.317 0.000 0.992 21 I CA -0.385 60.753 61.300 -0.271 0.000 1.154 21 I CB 1.429 39.262 38.000 -0.279 0.000 1.315 21 I HN 0.274 nan 8.210 nan 0.000 0.448 22 F N 3.783 123.808 119.950 0.126 0.000 2.523 22 F HA 0.404 4.931 4.527 -0.001 0.000 0.329 22 F C 0.191 176.252 175.800 0.436 0.000 1.061 22 F CA -0.618 57.535 58.000 0.256 0.000 0.967 22 F CB 1.334 40.521 39.000 0.312 0.000 1.218 22 F HN 0.434 nan 8.300 nan 0.000 0.480 23 D N -0.232 120.599 120.400 0.718 0.000 2.392 23 D HA 0.269 4.908 4.640 -0.001 0.000 0.246 23 D C 0.780 177.460 176.300 0.632 0.000 1.013 23 D CA -0.839 53.559 54.000 0.663 0.000 0.993 23 D CB 0.922 42.032 40.800 0.517 0.000 1.219 23 D HN 0.413 nan 8.370 nan 0.000 0.538 24 R N -0.291 120.407 120.500 0.329 0.000 2.276 24 R HA -0.087 4.253 4.340 -0.001 0.000 0.243 24 R C 0.650 177.206 176.300 0.426 0.000 1.161 24 R CA 1.307 57.401 56.100 -0.011 0.000 1.007 24 R CB -0.241 29.798 30.300 -0.436 0.000 0.867 24 R HN 0.380 nan 8.270 nan 0.000 0.472 25 N N -1.181 117.756 118.700 0.394 0.000 2.280 25 N HA 0.099 4.838 4.740 -0.001 0.000 0.192 25 N C 0.574 176.308 175.510 0.374 0.000 1.109 25 N CA 0.939 54.190 53.050 0.335 0.000 0.855 25 N CB 1.284 39.902 38.487 0.218 0.000 0.974 25 N HN 0.382 nan 8.380 nan 0.000 0.482 26 G N 1.186 110.308 108.800 0.537 0.000 2.141 26 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.242 26 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.242 26 G C 0.122 175.329 174.900 0.511 0.000 0.982 26 G CA 0.126 45.501 45.100 0.458 0.000 0.662 26 G HN 0.314 nan 8.290 nan 0.000 0.527 27 K N 1.043 121.729 120.400 0.476 0.000 2.205 27 K HA 0.526 4.846 4.320 -0.001 0.000 0.279 27 K C 0.489 177.283 176.600 0.324 0.000 1.027 27 K CA -0.719 55.782 56.287 0.356 0.000 0.932 27 K CB 0.658 33.308 32.500 0.251 0.000 1.032 27 K HN 0.204 nan 8.250 nan 0.000 0.466 28 K N 5.770 126.252 120.400 0.137 0.000 2.310 28 K HA 0.112 4.432 4.320 -0.001 0.000 0.290 28 K C 0.188 176.738 176.600 -0.084 0.000 1.077 28 K CA -0.314 55.887 56.287 -0.142 0.000 0.922 28 K CB 0.346 32.747 32.500 -0.165 0.000 1.057 28 K HN 0.553 nan 8.250 nan 0.000 0.479 29 I N 2.673 123.166 120.570 -0.127 0.000 3.339 29 I HA 0.164 4.334 4.170 -0.001 0.000 0.285 29 I C 1.091 177.110 176.117 -0.164 0.000 1.201 29 I CA 0.363 61.598 61.300 -0.108 0.000 1.434 29 I CB -0.065 37.845 38.000 -0.150 0.000 1.152 29 I HN 0.698 nan 8.210 nan 0.000 0.443 30 G N -0.248 108.415 108.800 -0.229 0.000 2.660 30 G HA2 0.571 4.531 3.960 -0.001 0.000 0.294 30 G HA3 0.571 4.531 3.960 -0.001 0.000 0.294 30 G C -1.337 173.418 174.900 -0.240 0.000 1.369 30 G CA -0.301 44.669 45.100 -0.217 0.000 0.912 30 G HN 0.014 nan 8.290 nan 0.000 0.479 31 S N -0.887 114.698 115.700 -0.190 0.000 2.558 31 S HA 0.767 5.236 4.470 -0.001 0.000 0.277 31 S C -1.367 173.156 174.600 -0.129 0.000 1.143 31 S CA -0.129 57.969 58.200 -0.170 0.000 0.865 31 S CB 1.697 64.811 63.200 -0.143 0.000 1.102 31 S HN 1.574 nan 8.310 nan 0.000 0.454 32 S N 1.877 117.510 115.700 -0.111 0.000 2.548 32 S HA 0.558 5.027 4.470 -0.001 0.000 0.278 32 S C -1.885 172.684 174.600 -0.053 0.000 1.150 32 S CA -0.432 57.717 58.200 -0.084 0.000 0.907 32 S CB 1.672 64.807 63.200 -0.108 0.000 1.108 32 S HN 0.876 nan 8.310 nan 0.000 0.459 33 Q N 2.622 122.404 119.800 -0.029 0.000 2.397 33 Q HA 0.672 5.011 4.340 -0.001 0.000 0.275 33 Q C -1.791 174.214 176.000 0.008 0.000 1.090 33 Q CA -0.712 55.091 55.803 0.000 0.000 0.809 33 Q CB 1.724 30.467 28.738 0.009 0.000 1.362 33 Q HN 0.655 nan 8.270 nan 0.000 0.431 34 K N 2.352 122.773 120.400 0.033 0.000 2.543 34 K HA 0.300 4.619 4.320 -0.001 0.000 0.255 34 K C -1.362 175.283 176.600 0.075 0.000 0.934 34 K CA -0.422 55.889 56.287 0.039 0.000 0.810 34 K CB 1.898 34.417 32.500 0.032 0.000 1.315 34 K HN 0.689 nan 8.250 nan 0.000 0.433 35 E N 2.374 122.594 120.200 0.033 0.000 2.349 35 E HA 0.341 4.690 4.350 -0.001 0.000 0.262 35 E C -0.757 175.865 176.600 0.037 0.000 1.088 35 E CA -0.534 55.848 56.400 -0.030 0.000 0.899 35 E CB 0.724 30.370 29.700 -0.089 0.000 1.044 35 E HN 0.377 nan 8.360 nan 0.000 0.420 36 F N -1.512 118.400 119.950 -0.063 0.000 2.613 36 F HA 0.564 5.091 4.527 -0.000 0.000 0.310 36 F C -2.881 172.828 175.800 -0.152 0.000 1.085 36 F CA -3.363 54.584 58.000 -0.087 0.000 0.945 36 F CB 0.116 39.066 39.000 -0.083 0.000 1.298 36 F HN 0.151 nan 8.300 nan 0.000 0.455 37 P HA 0.083 nan 4.420 nan 0.000 0.264 37 P C -1.109 175.907 177.300 -0.473 0.000 1.183 37 P CA 0.188 63.117 63.100 -0.285 0.000 0.763 37 P CB 0.471 32.010 31.700 -0.268 0.000 0.807 38 Q N 2.219 121.646 119.800 -0.620 0.000 2.312 38 Q HA 0.400 4.740 4.340 -0.001 0.000 0.263 38 Q C -0.842 174.520 176.000 -1.063 0.000 0.995 38 Q CA -0.422 55.019 55.803 -0.604 0.000 0.853 38 Q CB 1.427 29.928 28.738 -0.395 0.000 1.300 38 Q HN 0.434 nan 8.270 nan 0.000 0.448 39 Y N 0.990 120.936 120.300 -0.589 0.000 2.429 39 Y HA 0.487 5.036 4.550 -0.001 0.000 0.342 39 Y C -0.309 175.120 175.900 -0.785 0.000 1.004 39 Y CA -1.011 56.767 58.100 -0.537 0.000 1.075 39 Y CB 1.232 39.597 38.460 -0.159 0.000 1.214 39 Y HN 0.408 nan 8.280 nan 0.000 0.455 40 F N 2.863 122.941 119.950 0.213 0.000 2.622 40 F HA 0.394 4.921 4.527 -0.000 0.000 0.338 40 F C -1.901 173.953 175.800 0.090 0.000 1.334 40 F CA -2.313 55.764 58.000 0.128 0.000 1.179 40 F CB 0.665 39.702 39.000 0.061 0.000 1.471 40 F HN 0.352 nan 8.300 nan 0.000 0.576 41 P HA -0.136 nan 4.420 nan 0.000 0.216 41 P C -0.179 177.017 177.300 -0.172 0.000 1.157 41 P CA 1.695 64.828 63.100 0.054 0.000 0.880 41 P CB 0.340 32.135 31.700 0.157 0.000 0.791 42 K N -2.108 118.100 120.400 -0.321 0.000 2.509 42 K HA 0.399 4.718 4.320 -0.001 0.000 0.266 42 K C -0.561 175.911 176.600 -0.215 0.000 0.987 42 K CA -0.808 55.176 56.287 -0.505 0.000 0.868 42 K CB 2.003 33.773 32.500 -1.218 0.000 1.421 42 K HN -0.291 nan 8.250 nan 0.000 0.444 43 S N 0.009 115.624 115.700 -0.142 0.000 2.546 43 S HA 0.238 4.707 4.470 -0.001 0.000 0.290 43 S C 1.151 175.801 174.600 0.083 0.000 1.290 43 S CA 1.727 59.910 58.200 -0.028 0.000 1.069 43 S CB -0.323 62.859 63.200 -0.030 0.000 0.846 43 S HN 0.852 nan 8.310 nan 0.000 0.495 44 G N 4.123 112.995 108.800 0.121 0.000 2.268 44 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.240 44 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.240 44 G C -0.168 174.906 174.900 0.290 0.000 1.010 44 G CA 0.169 45.381 45.100 0.187 0.000 0.618 44 G HN 0.645 nan 8.290 nan 0.000 0.516 45 W N 0.559 121.856 121.300 -0.005 0.000 2.315 45 W HA 0.656 5.315 4.660 -0.001 0.000 0.316 45 W C 0.048 176.600 176.519 0.056 0.000 1.211 45 W CA -0.850 56.477 57.345 -0.030 0.000 1.201 45 W CB 1.420 30.861 29.460 -0.032 0.000 1.184 45 W HN 0.231 nan 8.180 nan 0.000 0.544 46 V N 3.696 123.683 119.914 0.123 0.000 2.524 46 V HA 0.337 4.456 4.120 -0.001 0.000 0.297 46 V C -0.349 175.655 176.094 -0.151 0.000 1.035 46 V CA -1.195 61.123 62.300 0.030 0.000 0.867 46 V CB 1.252 33.045 31.823 -0.050 0.000 1.004 46 V HN 0.486 nan 8.190 nan 0.000 0.426 47 E N 2.784 122.916 120.200 -0.114 0.000 2.299 47 E HA 0.685 5.035 4.350 -0.001 0.000 0.265 47 E C -1.327 175.349 176.600 0.126 0.000 0.911 47 E CA -0.962 55.404 56.400 -0.056 0.000 0.789 47 E CB 2.872 32.603 29.700 0.053 0.000 1.246 47 E HN 0.766 nan 8.360 nan 0.000 0.427 48 H N 0.286 119.458 119.070 0.169 0.000 2.768 48 H HA 0.249 4.804 4.556 -0.001 0.000 0.371 48 H C -0.762 174.690 175.328 0.207 0.000 1.151 48 H CA -1.048 55.156 56.048 0.260 0.000 1.165 48 H CB 1.905 31.801 29.762 0.223 0.000 1.722 48 H HN 0.280 nan 8.280 nan 0.000 0.543 49 N N 1.763 120.702 118.700 0.399 0.000 2.439 49 N HA 0.087 4.826 4.740 -0.001 0.000 0.249 49 N C 0.690 176.268 175.510 0.113 0.000 1.003 49 N CA 0.030 53.206 53.050 0.209 0.000 0.942 49 N CB 1.457 40.093 38.487 0.248 0.000 1.115 49 N HN 0.800 nan 8.380 nan 0.000 0.505 50 A N 4.617 127.441 122.820 0.006 0.000 1.948 50 A HA -0.219 4.101 4.320 -0.001 0.000 0.220 50 A C 1.828 179.591 177.584 0.299 0.000 1.177 50 A CA 1.356 53.359 52.037 -0.057 0.000 0.636 50 A CB -0.262 18.354 19.000 -0.641 0.000 0.815 50 A HN 0.757 nan 8.150 nan 0.000 0.449 51 N N -0.204 118.660 118.700 0.274 0.000 2.270 51 N HA -0.105 4.635 4.740 -0.001 0.000 0.181 51 N C 1.599 177.282 175.510 0.289 0.000 1.016 51 N CA 1.387 54.664 53.050 0.378 0.000 0.870 51 N CB -0.326 38.330 38.487 0.282 0.000 0.979 51 N HN 0.686 nan 8.380 nan 0.000 0.431 52 E N 0.620 120.927 120.200 0.178 0.000 2.150 52 E HA -0.033 4.316 4.350 -0.001 0.000 0.193 52 E C 1.947 178.536 176.600 -0.019 0.000 0.985 52 E CA 0.450 56.915 56.400 0.108 0.000 0.814 52 E CB 0.035 29.826 29.700 0.152 0.000 0.752 52 E HN 0.363 nan 8.360 nan 0.000 0.466 53 I N 0.819 121.322 120.570 -0.111 0.000 2.226 53 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 53 I C 2.417 178.559 176.117 0.041 0.000 1.100 53 I CA 1.075 62.190 61.300 -0.310 0.000 1.374 53 I CB -0.369 37.485 38.000 -0.243 0.000 1.057 53 I HN 0.383 nan 8.210 nan 0.000 0.413 54 W N 2.526 123.838 121.300 0.020 0.000 2.338 54 W HA -0.244 4.415 4.660 -0.003 0.000 0.304 54 W C 2.120 178.624 176.519 -0.025 0.000 1.212 54 W CA 1.224 58.556 57.345 -0.021 0.000 1.264 54 W CB -0.155 29.289 29.460 -0.027 0.000 1.142 54 W HN 0.196 nan 8.180 nan 0.000 0.512 55 N N 0.628 119.242 118.700 -0.144 0.000 2.216 55 N HA -0.177 4.562 4.740 -0.001 0.000 0.183 55 N C 1.993 177.387 175.510 -0.194 0.000 1.017 55 N CA 2.058 54.942 53.050 -0.276 0.000 0.861 55 N CB -0.918 37.515 38.487 -0.090 0.000 0.986 55 N HN 0.221 nan 8.380 nan 0.000 0.428 56 S N 0.320 115.963 115.700 -0.095 0.000 2.399 56 S HA -0.051 4.418 4.470 -0.001 0.000 0.231 56 S C 2.158 176.716 174.600 -0.071 0.000 1.022 56 S CA 0.848 59.029 58.200 -0.031 0.000 0.983 56 S CB -0.653 62.585 63.200 0.063 0.000 0.803 56 S HN 0.016 nan 8.310 nan 0.000 0.480 57 V N 2.222 122.065 119.914 -0.118 0.000 2.307 57 V HA -0.167 3.952 4.120 -0.001 0.000 0.245 57 V C 2.951 178.909 176.094 -0.227 0.000 1.045 57 V CA 2.073 64.306 62.300 -0.112 0.000 1.024 57 V CB -0.937 30.878 31.823 -0.013 0.000 0.651 57 V HN 0.554 nan 8.190 nan 0.000 0.449 58 Q N -0.275 119.230 119.800 -0.491 0.000 2.096 58 Q HA -0.197 4.143 4.340 -0.001 0.000 0.204 58 Q C 2.485 178.412 176.000 -0.122 0.000 0.982 58 Q CA 2.002 57.553 55.803 -0.420 0.000 0.850 58 Q CB -0.298 28.068 28.738 -0.621 0.000 0.901 58 Q HN 0.605 nan 8.270 nan 0.000 0.422 59 S N 0.744 116.361 115.700 -0.138 0.000 2.343 59 S HA -0.154 4.316 4.470 -0.001 0.000 0.219 59 S C 2.266 176.809 174.600 -0.095 0.000 1.033 59 S CA 1.637 59.785 58.200 -0.087 0.000 1.014 59 S CB -0.574 62.587 63.200 -0.066 0.000 0.915 59 S HN 0.481 nan 8.310 nan 0.000 0.435 60 V N 0.656 120.521 119.914 -0.082 0.000 2.469 60 V HA -0.124 3.996 4.120 -0.001 0.000 0.251 60 V C 1.880 177.886 176.094 -0.146 0.000 1.064 60 V CA 1.478 63.724 62.300 -0.091 0.000 1.066 60 V CB -1.020 30.773 31.823 -0.050 0.000 0.667 60 V HN 0.433 nan 8.190 nan 0.000 0.461 61 I N 1.025 121.517 120.570 -0.131 0.000 2.142 61 I HA -0.186 3.984 4.170 -0.001 0.000 0.240 61 I C 2.972 178.898 176.117 -0.320 0.000 1.078 61 I CA 1.817 62.996 61.300 -0.201 0.000 1.343 61 I CB -0.660 37.320 38.000 -0.033 0.000 1.046 61 I HN 0.400 nan 8.210 nan 0.000 0.405 62 A N 0.788 123.454 122.820 -0.257 0.000 1.865 62 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 62 A C 2.431 179.869 177.584 -0.243 0.000 1.191 62 A CA 2.001 53.789 52.037 -0.415 0.000 0.623 62 A CB -1.584 17.101 19.000 -0.525 0.000 0.826 62 A HN 0.475 nan 8.150 nan 0.000 0.444 63 G N -0.532 108.151 108.800 -0.195 0.000 2.469 63 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.220 63 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.220 63 G C 1.725 176.527 174.900 -0.165 0.000 1.136 63 G CA 1.660 46.670 45.100 -0.150 0.000 0.759 63 G HN 0.868 nan 8.290 nan 0.000 0.562 64 A N 0.212 122.886 122.820 -0.243 0.000 1.902 64 A HA 0.143 4.462 4.320 -0.001 0.000 0.217 64 A C 2.149 179.569 177.584 -0.273 0.000 1.181 64 A CA 1.407 53.267 52.037 -0.295 0.000 0.623 64 A CB -0.460 18.295 19.000 -0.408 0.000 0.818 64 A HN 0.258 nan 8.150 nan 0.000 0.443 65 F N 0.082 119.913 119.950 -0.198 0.000 2.060 65 F HA -0.075 4.454 4.527 0.002 0.000 0.295 65 F C 2.264 177.958 175.800 -0.177 0.000 1.120 65 F CA 0.932 58.813 58.000 -0.199 0.000 1.205 65 F CB -0.883 37.966 39.000 -0.252 0.000 0.986 65 F HN 0.092 nan 8.300 nan 0.000 0.470 66 I N -0.112 120.475 120.570 0.029 0.000 2.113 66 I HA -0.356 3.813 4.170 -0.001 0.000 0.242 66 I C 2.625 178.716 176.117 -0.043 0.000 1.057 66 I CA 1.970 63.247 61.300 -0.038 0.000 1.314 66 I CB -0.580 37.375 38.000 -0.076 0.000 1.022 66 I HN 0.221 nan 8.210 nan 0.000 0.408 67 E N 1.118 121.280 120.200 -0.062 0.000 2.077 67 E HA -0.222 4.127 4.350 -0.001 0.000 0.193 67 E C 2.216 178.778 176.600 -0.064 0.000 0.989 67 E CA 2.039 58.400 56.400 -0.066 0.000 0.800 67 E CB 0.000 29.650 29.700 -0.084 0.000 0.746 67 E HN 0.570 nan 8.360 nan 0.000 0.452 68 S N -1.407 114.248 115.700 -0.075 0.000 2.501 68 S HA 0.145 4.615 4.470 -0.001 0.000 0.220 68 S C 1.638 176.204 174.600 -0.057 0.000 0.997 68 S CA 0.935 59.082 58.200 -0.087 0.000 0.919 68 S CB 0.248 63.358 63.200 -0.150 0.000 0.778 68 S HN 0.430 nan 8.310 nan 0.000 0.523 69 G N 1.115 109.899 108.800 -0.027 0.000 2.184 69 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.264 69 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.264 69 G C 0.107 175.003 174.900 -0.006 0.000 0.975 69 G CA 0.439 45.529 45.100 -0.017 0.000 0.642 69 G HN 0.598 nan 8.290 nan 0.000 0.536 70 I N 0.209 120.784 120.570 0.007 0.000 2.886 70 I HA 0.447 4.616 4.170 -0.001 0.000 0.299 70 I C 1.122 177.250 176.117 0.019 0.000 1.044 70 I CA -0.567 60.752 61.300 0.032 0.000 1.310 70 I CB 0.676 38.644 38.000 -0.053 0.000 1.441 70 I HN -0.001 nan 8.210 nan 0.000 0.578 71 R N 3.332 123.813 120.500 -0.031 0.000 2.664 71 R HA 0.303 4.642 4.340 -0.001 0.000 0.286 71 R C -1.940 174.213 176.300 -0.245 0.000 0.967 71 R CA -1.584 54.372 56.100 -0.240 0.000 0.933 71 R CB 1.313 31.544 30.300 -0.115 0.000 1.146 71 R HN 0.253 nan 8.270 nan 0.000 0.468 72 P HA -0.219 nan 4.420 nan 0.000 0.218 72 P C 0.795 178.163 177.300 0.113 0.000 1.146 72 P CA 1.184 64.194 63.100 -0.149 0.000 0.813 72 P CB 0.232 31.812 31.700 -0.201 0.000 0.778 73 E N -0.205 120.010 120.200 0.025 0.000 2.268 73 E HA -0.135 4.215 4.350 -0.001 0.000 0.195 73 E C 1.463 178.122 176.600 0.099 0.000 0.995 73 E CA 0.879 57.314 56.400 0.059 0.000 0.836 73 E CB -0.308 29.404 29.700 0.021 0.000 0.763 73 E HN 0.127 nan 8.360 nan 0.000 0.491 74 A N 0.285 123.193 122.820 0.147 0.000 2.275 74 A HA 0.172 4.492 4.320 -0.001 0.000 0.212 74 A C 0.477 178.213 177.584 0.253 0.000 1.201 74 A CA -0.277 51.887 52.037 0.212 0.000 0.843 74 A CB 0.139 19.331 19.000 0.319 0.000 0.873 74 A HN 0.111 nan 8.150 nan 0.000 0.492 75 I N 0.037 120.753 120.570 0.243 0.000 2.395 75 I HA 0.315 4.484 4.170 -0.001 0.000 0.289 75 I C 1.413 177.565 176.117 0.057 0.000 1.023 75 I CA 0.003 61.418 61.300 0.192 0.000 1.350 75 I CB 1.534 39.707 38.000 0.288 0.000 1.409 75 I HN 0.183 nan 8.210 nan 0.000 0.507 76 A N 4.587 127.359 122.820 -0.081 0.000 1.935 76 A HA 0.561 4.881 4.320 -0.001 0.000 0.214 76 A C 1.026 178.542 177.584 -0.113 0.000 1.178 76 A CA 1.178 53.144 52.037 -0.117 0.000 0.640 76 A CB -0.392 18.448 19.000 -0.266 0.000 0.825 76 A HN 0.778 nan 8.150 nan 0.000 0.447 77 G N -1.789 106.917 108.800 -0.156 0.000 2.576 77 G HA2 0.522 4.482 3.960 -0.001 0.000 0.290 77 G HA3 0.522 4.482 3.960 -0.001 0.000 0.290 77 G C -1.551 173.299 174.900 -0.084 0.000 1.442 77 G CA -0.608 44.425 45.100 -0.112 0.000 0.792 77 G HN 0.147 nan 8.290 nan 0.000 0.491 78 I N 0.425 120.952 120.570 -0.072 0.000 2.498 78 I HA 0.589 4.759 4.170 -0.001 0.000 0.290 78 I C 0.468 176.594 176.117 0.015 0.000 1.032 78 I CA -0.829 60.450 61.300 -0.036 0.000 1.073 78 I CB 2.479 40.404 38.000 -0.124 0.000 1.251 78 I HN 0.656 nan 8.210 nan 0.000 0.426 79 G N 6.833 115.667 108.800 0.058 0.000 2.415 79 G HA2 0.696 4.655 3.960 -0.001 0.000 0.327 79 G HA3 0.696 4.655 3.960 -0.001 0.000 0.327 79 G C -0.771 174.163 174.900 0.056 0.000 1.182 79 G CA -0.366 44.776 45.100 0.070 0.000 0.924 79 G HN 0.330 nan 8.290 nan 0.000 0.470 80 I N 1.407 121.994 120.570 0.028 0.000 2.378 80 I HA 0.459 4.629 4.170 -0.001 0.000 0.291 80 I C 0.011 176.138 176.117 0.017 0.000 0.992 80 I CA -0.466 60.846 61.300 0.019 0.000 1.154 80 I CB 1.515 39.500 38.000 -0.025 0.000 1.315 80 I HN 0.396 nan 8.210 nan 0.000 0.448 81 T N 6.849 121.428 114.554 0.041 0.000 2.893 81 T HA 0.611 4.961 4.350 -0.001 0.000 0.293 81 T C -0.824 173.911 174.700 0.058 0.000 1.027 81 T CA -0.628 61.495 62.100 0.039 0.000 0.988 81 T CB 1.445 70.339 68.868 0.044 0.000 1.043 81 T HN 0.853 nan 8.240 nan 0.000 0.461 82 N N 2.431 121.163 118.700 0.052 0.000 2.525 82 N HA 0.261 5.000 4.740 -0.001 0.000 0.270 82 N C -1.223 174.331 175.510 0.074 0.000 1.321 82 N CA -0.897 52.203 53.050 0.084 0.000 0.797 82 N CB 1.476 40.019 38.487 0.093 0.000 1.529 82 N HN 0.771 nan 8.380 nan 0.000 0.491 83 Q N 0.795 120.681 119.800 0.143 0.000 2.262 83 Q HA 0.264 4.603 4.340 -0.001 0.000 0.272 83 Q C -0.274 175.797 176.000 0.118 0.000 1.076 83 Q CA -0.146 55.753 55.803 0.160 0.000 0.905 83 Q CB 0.837 29.815 28.738 0.401 0.000 1.182 83 Q HN 0.355 nan 8.270 nan 0.000 0.390 84 R N 2.098 122.577 120.500 -0.036 0.000 2.747 84 R HA 0.030 4.369 4.340 -0.001 0.000 0.278 84 R C 0.194 176.556 176.300 0.103 0.000 1.153 84 R CA -0.121 55.978 56.100 -0.001 0.000 1.206 84 R CB 0.207 30.453 30.300 -0.089 0.000 1.161 84 R HN 0.872 nan 8.270 nan 0.000 0.589 85 E N -1.406 118.867 120.200 0.120 0.000 5.080 85 E HA -0.268 4.081 4.350 -0.001 0.000 0.168 85 E C -0.283 176.460 176.600 0.239 0.000 1.286 85 E CA 2.339 58.850 56.400 0.184 0.000 2.223 85 E CB -1.580 28.196 29.700 0.127 0.000 1.857 85 E HN 0.699 nan 8.360 nan 0.000 0.388 86 T N 2.303 117.033 114.554 0.294 0.000 2.718 86 T HA 0.061 4.410 4.350 -0.001 0.000 0.265 86 T C 0.030 174.828 174.700 0.164 0.000 1.014 86 T CA 1.272 63.513 62.100 0.235 0.000 1.172 86 T CB 0.112 69.152 68.868 0.288 0.000 1.007 86 T HN 0.175 nan 8.240 nan 0.000 0.500 87 T N 4.096 118.728 114.554 0.129 0.000 2.824 87 T HA 0.566 4.915 4.350 -0.001 0.000 0.280 87 T C -0.204 174.525 174.700 0.048 0.000 0.995 87 T CA -0.634 61.552 62.100 0.142 0.000 1.009 87 T CB 1.264 70.284 68.868 0.252 0.000 0.955 87 T HN 0.354 nan 8.240 nan 0.000 0.452 88 V N 3.391 123.300 119.914 -0.008 0.000 2.588 88 V HA 0.581 4.701 4.120 -0.001 0.000 0.304 88 V C -0.582 175.494 176.094 -0.030 0.000 1.042 88 V CA -0.789 61.459 62.300 -0.086 0.000 0.877 88 V CB 2.107 33.766 31.823 -0.274 0.000 0.996 88 V HN 0.683 nan 8.190 nan 0.000 0.425 89 V N 4.640 124.528 119.914 -0.043 0.000 2.444 89 V HA 0.630 4.750 4.120 -0.001 0.000 0.294 89 V C -0.809 175.239 176.094 -0.077 0.000 1.022 89 V CA -0.454 61.777 62.300 -0.115 0.000 0.850 89 V CB 1.528 33.318 31.823 -0.055 0.000 0.992 89 V HN 1.033 nan 8.190 nan 0.000 0.426 90 W N 3.127 124.267 121.300 -0.266 0.000 2.992 90 W HA 0.669 5.328 4.660 -0.000 0.000 0.342 90 W C -0.810 175.591 176.519 -0.197 0.000 1.176 90 W CA -1.025 56.173 57.345 -0.244 0.000 1.118 90 W CB 0.819 30.101 29.460 -0.296 0.000 1.457 90 W HN 0.518 nan 8.180 nan 0.000 0.573 91 D N 1.957 122.454 120.400 0.161 0.000 2.308 91 D HA 0.090 4.730 4.640 -0.001 0.000 0.251 91 D C 0.796 177.228 176.300 0.219 0.000 1.127 91 D CA 0.043 54.099 54.000 0.093 0.000 0.876 91 D CB 1.438 42.306 40.800 0.113 0.000 1.176 91 D HN 0.579 nan 8.370 nan 0.000 0.446 92 K N 1.578 122.034 120.400 0.093 0.000 2.001 92 K HA -0.159 4.161 4.320 -0.001 0.000 0.214 92 K C 1.987 178.811 176.600 0.372 0.000 1.050 92 K CA 1.901 58.336 56.287 0.246 0.000 0.934 92 K CB -0.105 32.483 32.500 0.147 0.000 0.718 92 K HN 0.461 nan 8.250 nan 0.000 0.443 93 T N 0.307 114.994 114.554 0.221 0.000 2.668 93 T HA -0.149 4.201 4.350 -0.001 0.000 0.262 93 T C 2.201 177.015 174.700 0.190 0.000 1.045 93 T CA 2.039 64.247 62.100 0.181 0.000 1.152 93 T CB -0.570 68.365 68.868 0.111 0.000 0.864 93 T HN 0.528 nan 8.240 nan 0.000 0.419 94 T N -0.609 114.051 114.554 0.177 0.000 2.904 94 T HA 0.230 4.579 4.350 -0.001 0.000 0.267 94 T C 1.893 176.722 174.700 0.216 0.000 1.059 94 T CA 1.224 63.420 62.100 0.161 0.000 1.137 94 T CB -0.704 68.240 68.868 0.127 0.000 0.879 94 T HN 0.666 nan 8.240 nan 0.000 0.467 95 G N 1.079 110.070 108.800 0.319 0.000 2.147 95 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.244 95 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.244 95 G C -0.203 174.869 174.900 0.286 0.000 1.005 95 G CA 0.017 45.338 45.100 0.369 0.000 0.713 95 G HN 0.668 nan 8.290 nan 0.000 0.515 96 Q N -0.034 119.915 119.800 0.247 0.000 2.257 96 Q HA 0.432 4.772 4.340 -0.001 0.000 0.255 96 Q C -2.417 173.679 176.000 0.161 0.000 0.920 96 Q CA -1.894 54.021 55.803 0.187 0.000 0.927 96 Q CB 1.775 30.592 28.738 0.131 0.000 1.229 96 Q HN 0.199 nan 8.270 nan 0.000 0.433 97 P HA 0.101 nan 4.420 nan 0.000 0.271 97 P C 0.858 178.170 177.300 0.020 0.000 1.216 97 P CA -0.025 63.070 63.100 -0.008 0.000 0.776 97 P CB 0.447 32.051 31.700 -0.160 0.000 0.881 98 I N -0.244 120.333 120.570 0.012 0.000 3.001 98 I HA 0.277 4.446 4.170 -0.001 0.000 0.268 98 I C 0.575 176.706 176.117 0.022 0.000 1.267 98 I CA 0.671 61.980 61.300 0.015 0.000 1.472 98 I CB -0.242 37.759 38.000 0.002 0.000 1.089 98 I HN 0.219 nan 8.210 nan 0.000 0.468 99 A N 0.538 123.367 122.820 0.015 0.000 2.456 99 A HA 0.376 4.695 4.320 -0.001 0.000 0.294 99 A C -0.987 176.601 177.584 0.006 0.000 1.057 99 A CA -0.822 51.234 52.037 0.031 0.000 0.623 99 A CB 0.067 19.117 19.000 0.085 0.000 1.338 99 A HN 0.146 nan 8.150 nan 0.000 0.464 100 N N 0.519 119.226 118.700 0.011 0.000 2.329 100 N HA 0.388 5.128 4.740 -0.001 0.000 0.237 100 N C 0.339 175.843 175.510 -0.011 0.000 1.258 100 N CA 1.011 54.060 53.050 -0.001 0.000 0.866 100 N CB 0.647 39.134 38.487 0.000 0.000 1.102 100 N HN 1.063 nan 8.380 nan 0.000 0.440 101 A N 1.970 124.781 122.820 -0.014 0.000 2.354 101 A HA 0.409 4.729 4.320 -0.001 0.000 0.269 101 A C 0.391 177.944 177.584 -0.052 0.000 1.109 101 A CA -0.438 51.578 52.037 -0.035 0.000 0.800 101 A CB 0.054 19.033 19.000 -0.034 0.000 1.045 101 A HN 0.639 nan 8.150 nan 0.000 0.489 102 I N 2.988 123.509 120.570 -0.082 0.000 2.325 102 I HA 0.173 4.343 4.170 -0.001 0.000 0.291 102 I C -0.135 175.908 176.117 -0.122 0.000 1.019 102 I CA -0.498 60.701 61.300 -0.169 0.000 1.302 102 I CB 1.250 39.104 38.000 -0.243 0.000 1.401 102 I HN 0.304 nan 8.210 nan 0.000 0.485 103 V N 6.695 126.475 119.914 -0.222 0.000 2.811 103 V HA -0.042 4.077 4.120 -0.001 0.000 0.302 103 V C 1.235 177.263 176.094 -0.110 0.000 1.063 103 V CA -0.316 61.841 62.300 -0.237 0.000 1.088 103 V CB 0.952 32.435 31.823 -0.566 0.000 0.982 103 V HN 0.939 nan 8.190 nan 0.000 0.485 104 W N 2.379 123.712 121.300 0.054 0.000 2.341 104 W HA -0.211 4.449 4.660 -0.001 0.000 0.283 104 W C 1.328 177.922 176.519 0.126 0.000 1.215 104 W CA 1.185 58.621 57.345 0.152 0.000 1.211 104 W CB -0.767 28.880 29.460 0.312 0.000 1.131 104 W HN 0.681 nan 8.180 nan 0.000 0.552 105 Q N 1.196 120.573 119.800 -0.704 0.000 2.167 105 Q HA -0.103 4.236 4.340 -0.001 0.000 0.202 105 Q C 1.526 177.324 176.000 -0.337 0.000 0.970 105 Q CA 1.169 56.530 55.803 -0.736 0.000 0.855 105 Q CB -0.287 27.922 28.738 -0.882 0.000 0.911 105 Q HN 0.117 nan 8.270 nan 0.000 0.438 106 S N 0.290 115.832 115.700 -0.263 0.000 2.568 106 S HA 0.016 4.485 4.470 -0.001 0.000 0.282 106 S C 0.623 175.100 174.600 -0.205 0.000 1.338 106 S CA -0.097 57.977 58.200 -0.210 0.000 1.045 106 S CB 0.472 63.501 63.200 -0.285 0.000 0.873 106 S HN 0.210 nan 8.310 nan 0.000 0.516 107 R N 2.514 122.908 120.500 -0.177 0.000 2.613 107 R HA 0.078 4.417 4.340 -0.001 0.000 0.361 107 R C 1.518 177.689 176.300 -0.215 0.000 1.072 107 R CA -0.025 55.992 56.100 -0.137 0.000 1.089 107 R CB -0.013 30.263 30.300 -0.040 0.000 1.343 107 R HN 0.875 nan 8.270 nan 0.000 0.571 108 Q N 0.496 119.958 119.800 -0.563 0.000 2.364 108 Q HA -0.052 4.287 4.340 -0.001 0.000 0.207 108 Q C 0.996 176.635 176.000 -0.601 0.000 0.970 108 Q CA 1.720 56.905 55.803 -1.031 0.000 0.888 108 Q CB 0.088 27.399 28.738 -2.379 0.000 0.951 108 Q HN 0.120 nan 8.270 nan 0.000 0.469 109 S N -0.149 115.317 115.700 -0.389 0.000 2.572 109 S HA 0.104 4.573 4.470 -0.001 0.000 0.228 109 S C 1.630 176.248 174.600 0.030 0.000 0.963 109 S CA 0.055 58.217 58.200 -0.064 0.000 0.939 109 S CB 0.429 63.599 63.200 -0.050 0.000 0.804 109 S HN 0.464 nan 8.310 nan 0.000 0.480 110 S N 3.034 118.736 115.700 0.004 0.000 2.374 110 S HA -0.033 4.437 4.470 -0.001 0.000 0.227 110 S C -0.817 173.833 174.600 0.084 0.000 1.037 110 S CA 1.181 59.412 58.200 0.052 0.000 1.024 110 S CB -2.149 61.080 63.200 0.049 0.000 0.861 110 S HN 0.439 nan 8.310 nan 0.000 0.456 111 P HA -0.039 nan 4.420 nan 0.000 0.216 111 P C 1.391 178.746 177.300 0.092 0.000 1.150 111 P CA 1.080 64.240 63.100 0.099 0.000 0.843 111 P CB -0.181 31.591 31.700 0.120 0.000 0.787 112 I N -1.011 119.621 120.570 0.103 0.000 2.252 112 I HA -0.211 3.958 4.170 -0.001 0.000 0.245 112 I C 2.360 178.533 176.117 0.092 0.000 1.102 112 I CA 1.298 62.652 61.300 0.091 0.000 1.385 112 I CB -0.860 37.200 38.000 0.100 0.000 1.064 112 I HN -0.093 nan 8.210 nan 0.000 0.414 113 A N 0.906 123.786 122.820 0.100 0.000 1.865 113 A HA -0.251 4.068 4.320 -0.001 0.000 0.217 113 A C 1.980 179.629 177.584 0.109 0.000 1.191 113 A CA 2.158 54.264 52.037 0.114 0.000 0.623 113 A CB -0.705 18.371 19.000 0.126 0.000 0.826 113 A HN 0.351 nan 8.150 nan 0.000 0.444 114 D N -0.797 119.661 120.400 0.096 0.000 2.106 114 D HA -0.219 4.420 4.640 -0.001 0.000 0.191 114 D C 2.029 178.375 176.300 0.076 0.000 0.997 114 D CA 1.931 55.980 54.000 0.083 0.000 0.834 114 D CB -0.552 40.289 40.800 0.070 0.000 0.956 114 D HN 0.542 nan 8.370 nan 0.000 0.448 115 Q N 0.648 120.493 119.800 0.075 0.000 2.045 115 Q HA -0.131 4.209 4.340 -0.001 0.000 0.206 115 Q C 2.352 178.408 176.000 0.093 0.000 0.991 115 Q CA 1.216 57.061 55.803 0.071 0.000 0.851 115 Q CB -0.590 28.189 28.738 0.067 0.000 0.911 115 Q HN 0.327 nan 8.270 nan 0.000 0.418 116 L N -0.036 121.261 121.223 0.124 0.000 2.129 116 L HA -0.270 4.070 4.340 -0.001 0.000 0.212 116 L C 2.312 179.275 176.870 0.156 0.000 1.087 116 L CA 1.747 56.705 54.840 0.196 0.000 0.757 116 L CB -0.436 41.725 42.059 0.169 0.000 0.896 116 L HN 0.249 nan 8.230 nan 0.000 0.434 117 K N -0.728 119.734 120.400 0.103 0.000 2.062 117 K HA -0.073 4.246 4.320 -0.001 0.000 0.205 117 K C 2.052 178.667 176.600 0.026 0.000 1.051 117 K CA 0.828 57.156 56.287 0.068 0.000 0.941 117 K CB -0.168 32.376 32.500 0.075 0.000 0.719 117 K HN 0.058 nan 8.250 nan 0.000 0.440 118 V N 2.482 122.413 119.914 0.029 0.000 2.343 118 V HA -0.218 3.901 4.120 -0.001 0.000 0.247 118 V C 1.164 177.240 176.094 -0.030 0.000 1.051 118 V CA 1.816 64.120 62.300 0.006 0.000 1.036 118 V CB -0.352 31.481 31.823 0.017 0.000 0.654 118 V HN 0.297 nan 8.190 nan 0.000 0.451 119 D N 0.159 120.536 120.400 -0.039 0.000 2.352 119 D HA 0.123 4.763 4.640 -0.001 0.000 0.232 119 D C 1.624 177.709 176.300 -0.358 0.000 1.055 119 D CA 0.991 54.907 54.000 -0.140 0.000 0.891 119 D CB -0.100 40.667 40.800 -0.055 0.000 0.897 119 D HN 0.539 nan 8.370 nan 0.000 0.529 120 G N 1.534 110.203 108.800 -0.218 0.000 2.273 120 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.280 120 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.280 120 G C 0.620 175.376 174.900 -0.240 0.000 1.047 120 G CA -0.035 44.941 45.100 -0.206 0.000 0.869 120 G HN 0.454 nan 8.290 nan 0.000 0.502 121 H N -0.493 118.589 119.070 0.020 0.000 2.539 121 H HA 0.102 4.657 4.556 -0.001 0.000 0.269 121 H C 2.496 177.840 175.328 0.027 0.000 0.980 121 H CA 0.974 57.034 56.048 0.021 0.000 1.152 121 H CB 0.078 29.854 29.762 0.023 0.000 1.407 121 H HN 0.404 nan 8.280 nan 0.000 0.564 122 T N 1.544 116.164 114.554 0.111 0.000 2.592 122 T HA -0.213 4.137 4.350 -0.001 0.000 0.267 122 T C 1.822 176.566 174.700 0.074 0.000 1.060 122 T CA 1.991 64.138 62.100 0.079 0.000 1.167 122 T CB 0.037 68.927 68.868 0.037 0.000 0.863 122 T HN 0.388 nan 8.240 nan 0.000 0.431 123 E N 0.606 120.836 120.200 0.050 0.000 2.077 123 E HA -0.034 4.315 4.350 -0.001 0.000 0.193 123 E C 2.112 178.761 176.600 0.082 0.000 0.989 123 E CA 0.764 57.195 56.400 0.051 0.000 0.800 123 E CB -0.371 29.341 29.700 0.020 0.000 0.746 123 E HN 0.393 nan 8.360 nan 0.000 0.452 124 M N 0.301 119.949 119.600 0.081 0.000 2.065 124 M HA -0.183 4.297 4.480 -0.001 0.000 0.259 124 M C 1.753 178.089 176.300 0.061 0.000 1.069 124 M CA 1.567 56.910 55.300 0.072 0.000 1.110 124 M CB -0.132 32.532 32.600 0.106 0.000 1.328 124 M HN 0.113 nan 8.290 nan 0.000 0.405 125 I N -0.277 120.339 120.570 0.076 0.000 2.208 125 I HA -0.316 3.854 4.170 -0.001 0.000 0.245 125 I C 2.426 178.565 176.117 0.037 0.000 1.097 125 I CA 1.859 63.186 61.300 0.045 0.000 1.363 125 I CB -1.938 36.097 38.000 0.058 0.000 1.051 125 I HN 0.486 nan 8.210 nan 0.000 0.413 126 H N 1.272 120.330 119.070 -0.020 0.000 2.389 126 H HA -0.113 4.443 4.556 -0.001 0.000 0.299 126 H C 2.099 177.422 175.328 -0.008 0.000 1.081 126 H CA 1.749 57.777 56.048 -0.034 0.000 1.345 126 H CB 0.145 29.882 29.762 -0.041 0.000 1.393 126 H HN 0.362 nan 8.280 nan 0.000 0.520 127 E N 0.140 120.363 120.200 0.039 0.000 2.153 127 E HA -0.145 4.204 4.350 -0.001 0.000 0.194 127 E C 1.892 178.455 176.600 -0.061 0.000 0.988 127 E CA 1.111 57.484 56.400 -0.044 0.000 0.811 127 E CB 0.109 29.787 29.700 -0.036 0.000 0.746 127 E HN 0.528 nan 8.360 nan 0.000 0.466 128 K N -0.153 120.238 120.400 -0.016 0.000 2.202 128 K HA -0.005 4.315 4.320 -0.001 0.000 0.201 128 K C 2.184 178.794 176.600 0.015 0.000 1.051 128 K CA 1.493 57.798 56.287 0.029 0.000 0.977 128 K CB 0.279 32.773 32.500 -0.011 0.000 0.792 128 K HN 0.122 nan 8.250 nan 0.000 0.469 129 T N -3.340 111.172 114.554 -0.070 0.000 3.023 129 T HA 0.199 4.548 4.350 -0.001 0.000 0.253 129 T C 1.386 175.961 174.700 -0.208 0.000 1.038 129 T CA 0.457 62.481 62.100 -0.126 0.000 0.962 129 T CB 0.730 69.517 68.868 -0.134 0.000 1.018 129 T HN 0.292 nan 8.240 nan 0.000 0.521 130 G N 1.381 109.995 108.800 -0.310 0.000 2.168 130 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.263 130 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.263 130 G C -0.060 174.632 174.900 -0.347 0.000 0.977 130 G CA 0.717 45.553 45.100 -0.440 0.000 0.659 130 G HN 0.652 nan 8.290 nan 0.000 0.533 131 L N -0.885 120.164 121.223 -0.290 0.000 2.335 131 L HA 0.813 5.152 4.340 -0.001 0.000 0.268 131 L C 0.629 177.482 176.870 -0.029 0.000 1.016 131 L CA -1.465 53.220 54.840 -0.258 0.000 0.805 131 L CB 1.724 43.371 42.059 -0.686 0.000 1.311 131 L HN -0.071 nan 8.230 nan 0.000 0.456 132 V N 0.928 120.816 119.914 -0.043 0.000 2.732 132 V HA 0.366 4.486 4.120 -0.001 0.000 0.310 132 V C 0.094 176.302 176.094 0.190 0.000 1.053 132 V CA -0.655 61.645 62.300 -0.001 0.000 0.957 132 V CB 2.156 33.797 31.823 -0.303 0.000 1.018 132 V HN 0.418 nan 8.190 nan 0.000 0.452 133 I N 3.306 123.977 120.570 0.167 0.000 2.436 133 I HA 0.314 4.483 4.170 -0.001 0.000 0.289 133 I C -0.256 176.030 176.117 0.283 0.000 1.083 133 I CA 0.682 62.120 61.300 0.229 0.000 1.372 133 I CB 0.370 38.468 38.000 0.163 0.000 1.408 133 I HN 0.773 nan 8.210 nan 0.000 0.516 134 D N 3.909 124.528 120.400 0.365 0.000 2.663 134 D HA 0.403 5.043 4.640 -0.001 0.000 0.233 134 D C 0.252 176.687 176.300 0.225 0.000 1.240 134 D CA -0.483 53.695 54.000 0.297 0.000 0.774 134 D CB 1.503 42.535 40.800 0.386 0.000 1.443 134 D HN 0.418 nan 8.370 nan 0.000 0.441 135 A N 1.468 124.368 122.820 0.133 0.000 2.216 135 A HA -0.101 4.219 4.320 -0.001 0.000 0.214 135 A C 1.581 179.199 177.584 0.057 0.000 1.160 135 A CA 0.956 53.035 52.037 0.071 0.000 0.725 135 A CB -0.792 18.210 19.000 0.002 0.000 0.784 135 A HN 0.634 nan 8.150 nan 0.000 0.472 136 Y N 0.143 120.340 120.300 -0.171 0.000 2.256 136 Y HA -0.087 4.463 4.550 -0.001 0.000 0.288 136 Y C 0.161 175.885 175.900 -0.293 0.000 1.155 136 Y CA 0.034 57.955 58.100 -0.299 0.000 1.203 136 Y CB -0.545 37.645 38.460 -0.450 0.000 0.980 136 Y HN 0.239 nan 8.280 nan 0.000 0.530 137 F N -0.794 119.225 119.950 0.115 0.000 2.380 137 F HA 0.280 4.807 4.527 -0.001 0.000 0.321 137 F C 1.903 177.740 175.800 0.062 0.000 1.103 137 F CA -0.110 57.888 58.000 -0.004 0.000 1.067 137 F CB 0.383 39.384 39.000 0.003 0.000 1.265 137 F HN -0.363 nan 8.300 nan 0.000 0.517 138 S N 0.539 116.412 115.700 0.287 0.000 2.382 138 S HA -0.189 4.281 4.470 -0.001 0.000 0.228 138 S C 2.242 176.902 174.600 0.099 0.000 1.027 138 S CA 1.067 59.402 58.200 0.225 0.000 0.991 138 S CB -0.586 62.829 63.200 0.359 0.000 0.823 138 S HN 0.716 nan 8.310 nan 0.000 0.469 139 A N 2.248 125.118 122.820 0.084 0.000 1.873 139 A HA -0.291 4.028 4.320 -0.001 0.000 0.219 139 A C 2.508 180.097 177.584 0.008 0.000 1.269 139 A CA 2.997 55.033 52.037 -0.002 0.000 0.671 139 A CB -1.950 17.077 19.000 0.045 0.000 0.842 139 A HN 0.665 nan 8.150 nan 0.000 0.460 140 T N -2.025 112.572 114.554 0.071 0.000 2.803 140 T HA -0.157 4.192 4.350 -0.001 0.000 0.269 140 T C 1.693 176.441 174.700 0.080 0.000 1.052 140 T CA 1.717 63.862 62.100 0.074 0.000 1.136 140 T CB -0.377 68.547 68.868 0.094 0.000 0.864 140 T HN 0.600 nan 8.240 nan 0.000 0.467 141 K N 0.672 121.108 120.400 0.061 0.000 2.097 141 K HA 0.041 4.360 4.320 -0.001 0.000 0.205 141 K C 2.329 178.987 176.600 0.098 0.000 1.050 141 K CA 1.108 57.427 56.287 0.053 0.000 0.938 141 K CB -0.340 32.181 32.500 0.036 0.000 0.718 141 K HN 0.246 nan 8.250 nan 0.000 0.442 142 V N 1.279 121.210 119.914 0.028 0.000 2.453 142 V HA -0.160 3.959 4.120 -0.001 0.000 0.247 142 V C 2.334 178.425 176.094 -0.006 0.000 1.048 142 V CA 1.247 63.533 62.300 -0.024 0.000 1.049 142 V CB -0.422 31.264 31.823 -0.228 0.000 0.672 142 V HN 0.232 nan 8.190 nan 0.000 0.457 143 R N -0.461 120.040 120.500 0.003 0.000 2.082 143 R HA -0.223 4.117 4.340 -0.001 0.000 0.234 143 R C 2.006 178.330 176.300 0.038 0.000 1.136 143 R CA 2.167 58.267 56.100 0.001 0.000 0.935 143 R CB -1.235 29.075 30.300 0.016 0.000 0.842 143 R HN 0.588 nan 8.270 nan 0.000 0.430 144 W N 1.186 122.439 121.300 -0.077 0.000 2.290 144 W HA -0.283 4.376 4.660 -0.001 0.000 0.323 144 W C 2.140 178.612 176.519 -0.079 0.000 1.260 144 W CA 2.382 59.674 57.345 -0.089 0.000 1.266 144 W CB -0.554 28.825 29.460 -0.136 0.000 1.149 144 W HN 0.130 nan 8.180 nan 0.000 0.482 145 L N -0.218 121.189 121.223 0.307 0.000 2.012 145 L HA -0.273 4.066 4.340 -0.001 0.000 0.210 145 L C 2.405 179.258 176.870 -0.029 0.000 1.073 145 L CA 1.341 56.289 54.840 0.180 0.000 0.748 145 L CB -1.091 41.066 42.059 0.164 0.000 0.891 145 L HN 0.048 nan 8.230 nan 0.000 0.431 146 L N -0.596 120.601 121.223 -0.044 0.000 2.549 146 L HA -0.164 4.176 4.340 -0.001 0.000 0.229 146 L C 1.503 178.298 176.870 -0.125 0.000 1.158 146 L CA 0.503 55.294 54.840 -0.082 0.000 0.842 146 L CB -0.483 41.529 42.059 -0.078 0.000 0.952 146 L HN 0.290 nan 8.230 nan 0.000 0.452 147 D N -0.629 119.655 120.400 -0.194 0.000 2.323 147 D HA -0.029 4.611 4.640 -0.001 0.000 0.218 147 D C 1.732 177.834 176.300 -0.329 0.000 0.973 147 D CA 0.720 54.566 54.000 -0.256 0.000 0.890 147 D CB 0.232 40.840 40.800 -0.321 0.000 1.011 147 D HN 0.250 nan 8.370 nan 0.000 0.499 148 N N -0.124 118.298 118.700 -0.463 0.000 2.294 148 N HA 0.047 4.787 4.740 -0.001 0.000 0.186 148 N C -0.196 175.177 175.510 -0.229 0.000 1.107 148 N CA -0.023 52.758 53.050 -0.449 0.000 0.884 148 N CB 1.548 39.497 38.487 -0.897 0.000 1.030 148 N HN 0.071 nan 8.380 nan 0.000 0.482 149 I N 2.677 123.155 120.570 -0.154 0.000 2.269 149 I HA 0.092 4.262 4.170 -0.001 0.000 0.293 149 I C 0.107 176.186 176.117 -0.064 0.000 1.106 149 I CA -0.916 60.345 61.300 -0.065 0.000 1.248 149 I CB 0.036 38.025 38.000 -0.019 0.000 1.444 149 I HN -0.210 nan 8.210 nan 0.000 0.497 150 E N 4.011 124.177 120.200 -0.057 0.000 2.708 150 E HA 0.235 4.585 4.350 -0.001 0.000 0.260 150 E C 1.390 177.967 176.600 -0.038 0.000 0.937 150 E CA 1.513 57.883 56.400 -0.048 0.000 0.953 150 E CB -0.000 29.678 29.700 -0.036 0.000 0.915 150 E HN 0.790 nan 8.360 nan 0.000 0.487 151 G N 2.256 111.032 108.800 -0.041 0.000 2.253 151 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.251 151 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.251 151 G C 1.211 176.087 174.900 -0.040 0.000 0.998 151 G CA 0.696 45.775 45.100 -0.034 0.000 0.621 151 G HN 0.765 nan 8.290 nan 0.000 0.524 152 A N 0.075 122.867 122.820 -0.046 0.000 1.849 152 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 152 A C 2.208 179.756 177.584 -0.060 0.000 1.202 152 A CA 2.881 54.887 52.037 -0.052 0.000 0.629 152 A CB -0.755 18.212 19.000 -0.054 0.000 0.834 152 A HN 1.057 nan 8.150 nan 0.000 0.447 153 Q N -0.210 119.551 119.800 -0.065 0.000 2.082 153 Q HA -0.279 4.061 4.340 -0.001 0.000 0.211 153 Q C 1.963 177.928 176.000 -0.058 0.000 1.002 153 Q CA 2.752 58.515 55.803 -0.066 0.000 0.868 153 Q CB -0.466 28.233 28.738 -0.065 0.000 0.931 153 Q HN 0.772 nan 8.270 nan 0.000 0.414 154 E N -0.560 119.610 120.200 -0.049 0.000 2.085 154 E HA -0.222 4.128 4.350 -0.001 0.000 0.194 154 E C 1.764 178.340 176.600 -0.041 0.000 0.994 154 E CA 1.438 57.813 56.400 -0.041 0.000 0.801 154 E CB -0.002 29.678 29.700 -0.034 0.000 0.743 154 E HN 0.340 nan 8.360 nan 0.000 0.453 155 K N -0.202 120.172 120.400 -0.043 0.000 2.148 155 K HA -0.096 4.223 4.320 -0.001 0.000 0.204 155 K C 2.109 178.673 176.600 -0.059 0.000 1.050 155 K CA 0.890 57.151 56.287 -0.044 0.000 0.942 155 K CB -0.051 32.424 32.500 -0.042 0.000 0.724 155 K HN 0.117 nan 8.250 nan 0.000 0.446 156 A N 2.010 124.788 122.820 -0.071 0.000 1.873 156 A HA -0.173 4.147 4.320 -0.001 0.000 0.215 156 A C 1.634 179.173 177.584 -0.075 0.000 1.186 156 A CA 1.588 53.572 52.037 -0.088 0.000 0.616 156 A CB -0.379 18.562 19.000 -0.099 0.000 0.823 156 A HN 0.148 nan 8.150 nan 0.000 0.442 157 D N -0.489 119.873 120.400 -0.063 0.000 2.271 157 D HA -0.142 4.498 4.640 -0.001 0.000 0.207 157 D C 1.206 177.479 176.300 -0.044 0.000 0.983 157 D CA 1.378 55.346 54.000 -0.053 0.000 0.878 157 D CB -0.240 40.532 40.800 -0.045 0.000 0.920 157 D HN 0.533 nan 8.370 nan 0.000 0.479 158 N N -0.833 117.842 118.700 -0.042 0.000 2.236 158 N HA 0.120 4.859 4.740 -0.001 0.000 0.196 158 N C 0.704 176.195 175.510 -0.032 0.000 1.114 158 N CA 0.664 53.695 53.050 -0.031 0.000 0.859 158 N CB 0.619 39.092 38.487 -0.024 0.000 0.982 158 N HN 0.065 nan 8.380 nan 0.000 0.493 159 G N 0.559 109.330 108.800 -0.047 0.000 2.160 159 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.244 159 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.244 159 G C 0.502 175.371 174.900 -0.052 0.000 1.022 159 G CA 0.444 45.514 45.100 -0.050 0.000 0.741 159 G HN 0.531 nan 8.290 nan 0.000 0.508 160 E N -0.930 119.234 120.200 -0.060 0.000 2.452 160 E HA 0.283 4.632 4.350 -0.001 0.000 0.197 160 E C 1.061 177.596 176.600 -0.108 0.000 1.022 160 E CA 0.099 56.468 56.400 -0.051 0.000 0.890 160 E CB 0.411 30.094 29.700 -0.028 0.000 0.918 160 E HN 0.566 nan 8.360 nan 0.000 0.496 161 L N 1.755 122.882 121.223 -0.160 0.000 2.325 161 L HA 0.487 4.826 4.340 -0.001 0.000 0.278 161 L C -0.422 176.203 176.870 -0.410 0.000 1.023 161 L CA -0.679 53.999 54.840 -0.269 0.000 0.811 161 L CB 1.415 43.353 42.059 -0.203 0.000 1.249 161 L HN -0.056 nan 8.230 nan 0.000 0.431 162 L N 2.403 123.167 121.223 -0.765 0.000 2.342 162 L HA 0.552 4.892 4.340 -0.001 0.000 0.271 162 L C -0.786 175.477 176.870 -1.012 0.000 1.008 162 L CA -0.578 53.663 54.840 -0.998 0.000 0.818 162 L CB 2.323 43.346 42.059 -1.726 0.000 1.296 162 L HN 0.416 nan 8.230 nan 0.000 0.427 163 F N 0.897 120.429 119.950 -0.697 0.000 2.523 163 F HA 0.905 5.432 4.527 -0.000 0.000 0.329 163 F C -0.093 175.561 175.800 -0.243 0.000 1.061 163 F CA -0.483 57.244 58.000 -0.455 0.000 0.967 163 F CB 2.214 41.045 39.000 -0.282 0.000 1.218 163 F HN 0.387 nan 8.300 nan 0.000 0.480 164 G N 1.694 109.619 108.800 -1.459 0.000 2.633 164 G HA2 0.439 4.399 3.960 -0.001 0.000 0.299 164 G HA3 0.439 4.399 3.960 -0.001 0.000 0.299 164 G C -1.243 173.291 174.900 -0.610 0.000 1.501 164 G CA -0.380 44.137 45.100 -0.971 0.000 0.887 164 G HN 0.900 nan 8.290 nan 0.000 0.561 165 T N 0.236 114.557 114.554 -0.389 0.000 2.754 165 T HA 0.345 4.695 4.350 -0.001 0.000 0.286 165 T C 1.783 176.508 174.700 0.042 0.000 0.997 165 T CA -0.678 61.378 62.100 -0.073 0.000 0.982 165 T CB 0.791 69.679 68.868 0.033 0.000 1.027 165 T HN 0.267 nan 8.240 nan 0.000 0.529 166 I N 2.045 122.679 120.570 0.106 0.000 2.300 166 I HA -0.191 3.979 4.170 -0.001 0.000 0.252 166 I C 2.383 178.591 176.117 0.152 0.000 1.119 166 I CA 1.517 62.918 61.300 0.169 0.000 1.384 166 I CB -1.549 36.560 38.000 0.182 0.000 1.062 166 I HN 0.834 nan 8.210 nan 0.000 0.426 167 D N 0.090 120.538 120.400 0.080 0.000 2.144 167 D HA -0.133 4.507 4.640 -0.001 0.000 0.200 167 D C 1.874 178.189 176.300 0.025 0.000 0.978 167 D CA 1.259 55.272 54.000 0.022 0.000 0.833 167 D CB -0.438 40.338 40.800 -0.039 0.000 0.961 167 D HN 0.240 nan 8.370 nan 0.000 0.470 168 S N -0.317 115.432 115.700 0.081 0.000 2.387 168 S HA -0.062 4.407 4.470 -0.001 0.000 0.226 168 S C 1.502 176.267 174.600 0.276 0.000 1.026 168 S CA 0.428 58.736 58.200 0.180 0.000 0.972 168 S CB -0.535 62.799 63.200 0.223 0.000 0.814 168 S HN 0.502 nan 8.310 nan 0.000 0.477 169 W N 2.450 123.731 121.300 -0.030 0.000 2.354 169 W HA -0.143 4.518 4.660 0.001 0.000 0.315 169 W C 1.503 177.869 176.519 -0.255 0.000 1.206 169 W CA 0.947 58.105 57.345 -0.311 0.000 1.290 169 W CB -0.320 28.999 29.460 -0.235 0.000 1.152 169 W HN 0.243 nan 8.180 nan 0.000 0.489 170 L N 0.316 121.470 121.223 -0.115 0.000 1.989 170 L HA -0.283 4.057 4.340 -0.001 0.000 0.211 170 L C 2.383 179.109 176.870 -0.239 0.000 1.071 170 L CA 1.416 56.129 54.840 -0.212 0.000 0.749 170 L CB -1.446 40.618 42.059 0.007 0.000 0.890 170 L HN -0.152 nan 8.230 nan 0.000 0.431 171 V N -0.721 119.121 119.914 -0.120 0.000 2.490 171 V HA -0.297 3.823 4.120 -0.001 0.000 0.250 171 V C 2.060 178.090 176.094 -0.106 0.000 1.061 171 V CA 1.737 63.973 62.300 -0.106 0.000 1.064 171 V CB -0.600 31.169 31.823 -0.090 0.000 0.670 171 V HN 0.654 nan 8.190 nan 0.000 0.461 172 W N 1.223 122.342 121.300 -0.302 0.000 2.381 172 W HA -0.108 4.554 4.660 0.002 0.000 0.301 172 W C 2.181 178.342 176.519 -0.596 0.000 1.205 172 W CA 1.429 58.573 57.345 -0.336 0.000 1.285 172 W CB -0.219 29.057 29.460 -0.307 0.000 1.133 172 W HN 0.196 nan 8.180 nan 0.000 0.521 173 K N 0.664 120.642 120.400 -0.703 0.000 2.097 173 K HA -0.127 4.192 4.320 -0.001 0.000 0.205 173 K C 2.138 178.248 176.600 -0.816 0.000 1.050 173 K CA 1.271 56.865 56.287 -1.156 0.000 0.938 173 K CB -0.779 30.362 32.500 -2.265 0.000 0.718 173 K HN 0.298 nan 8.250 nan 0.000 0.442 174 L N 1.058 121.966 121.223 -0.526 0.000 2.201 174 L HA -0.097 4.243 4.340 -0.001 0.000 0.212 174 L C 2.008 178.743 176.870 -0.226 0.000 1.105 174 L CA 1.318 56.044 54.840 -0.191 0.000 0.775 174 L CB -0.437 41.581 42.059 -0.068 0.000 0.913 174 L HN 0.271 nan 8.230 nan 0.000 0.440 175 T N -5.156 109.220 114.554 -0.296 0.000 3.214 175 T HA 0.080 4.430 4.350 -0.001 0.000 0.264 175 T C 0.427 174.903 174.700 -0.375 0.000 1.012 175 T CA -0.380 61.553 62.100 -0.278 0.000 0.901 175 T CB -0.178 68.562 68.868 -0.213 0.000 1.070 175 T HN 0.156 nan 8.240 nan 0.000 0.561 176 D N 1.784 121.929 120.400 -0.426 0.000 2.810 176 D HA -0.139 4.501 4.640 -0.001 0.000 0.224 176 D C 1.285 177.209 176.300 -0.626 0.000 1.222 176 D CA 1.449 55.204 54.000 -0.410 0.000 0.698 176 D CB -1.575 39.150 40.800 -0.125 0.000 0.961 176 D HN 0.968 nan 8.370 nan 0.000 0.403 177 G N 0.995 109.031 108.800 -1.274 0.000 2.187 177 G HA2 -0.423 3.537 3.960 -0.001 0.000 0.261 177 G HA3 -0.423 3.537 3.960 -0.001 0.000 0.261 177 G C 0.702 174.871 174.900 -1.218 0.000 1.000 177 G CA 1.111 44.981 45.100 -2.050 0.000 0.718 177 G HN 0.643 nan 8.290 nan 0.000 0.519 178 Q N -1.243 118.143 119.800 -0.689 0.000 2.304 178 Q HA 0.361 4.701 4.340 -0.001 0.000 0.204 178 Q C 0.748 176.667 176.000 -0.134 0.000 0.936 178 Q CA 0.824 56.438 55.803 -0.315 0.000 0.878 178 Q CB 0.509 29.128 28.738 -0.199 0.000 0.983 178 Q HN 0.459 nan 8.270 nan 0.000 0.516 179 V N 2.076 121.937 119.914 -0.089 0.000 2.328 179 V HA 0.186 4.305 4.120 -0.001 0.000 0.278 179 V C -1.084 175.191 176.094 0.302 0.000 1.021 179 V CA -0.692 61.661 62.300 0.089 0.000 0.838 179 V CB 0.985 32.838 31.823 0.050 0.000 0.999 179 V HN 0.269 nan 8.190 nan 0.000 0.447 180 H N 4.352 123.598 119.070 0.293 0.000 2.683 180 H HA 0.716 5.272 4.556 -0.001 0.000 0.270 180 H C -0.832 174.639 175.328 0.238 0.000 1.201 180 H CA -0.152 56.148 56.048 0.419 0.000 1.277 180 H CB 1.086 31.149 29.762 0.502 0.000 1.400 180 H HN 0.448 nan 8.280 nan 0.000 0.504 181 V N 3.689 123.650 119.914 0.078 0.000 3.158 181 V HA 0.754 4.874 4.120 -0.001 0.000 0.311 181 V C -0.802 175.233 176.094 -0.098 0.000 1.181 181 V CA -0.230 62.044 62.300 -0.044 0.000 1.054 181 V CB 2.538 34.371 31.823 0.017 0.000 1.085 181 V HN 0.794 nan 8.190 nan 0.000 0.446 182 T N 1.103 115.584 114.554 -0.122 0.000 2.840 182 T HA 0.487 4.837 4.350 -0.001 0.000 0.317 182 T C -1.823 172.755 174.700 -0.203 0.000 1.401 182 T CA -0.044 61.968 62.100 -0.146 0.000 1.028 182 T CB 1.578 70.411 68.868 -0.057 0.000 1.317 182 T HN 1.068 nan 8.240 nan 0.000 0.495 183 D N 0.745 121.023 120.400 -0.204 0.000 2.326 183 D HA 0.411 5.050 4.640 -0.001 0.000 0.251 183 D C 0.809 176.978 176.300 -0.219 0.000 1.023 183 D CA -0.602 53.284 54.000 -0.191 0.000 0.966 183 D CB 0.604 41.351 40.800 -0.087 0.000 1.156 183 D HN 0.424 nan 8.370 nan 0.000 0.494 184 Y N 0.488 120.675 120.300 -0.188 0.000 2.069 184 Y HA -0.286 4.264 4.550 -0.000 0.000 0.278 184 Y C 2.933 178.699 175.900 -0.223 0.000 1.175 184 Y CA 1.947 59.889 58.100 -0.263 0.000 1.134 184 Y CB -1.071 37.297 38.460 -0.154 0.000 0.965 184 Y HN 0.622 nan 8.280 nan 0.000 0.498 185 S N -0.090 115.645 115.700 0.058 0.000 2.365 185 S HA -0.246 4.224 4.470 -0.001 0.000 0.225 185 S C 1.932 176.521 174.600 -0.019 0.000 1.039 185 S CA 1.612 59.822 58.200 0.016 0.000 1.033 185 S CB -0.665 62.562 63.200 0.046 0.000 0.887 185 S HN 0.476 nan 8.310 nan 0.000 0.447 186 N N 2.274 120.949 118.700 -0.042 0.000 2.106 186 N HA 0.070 4.810 4.740 -0.001 0.000 0.188 186 N C 2.151 177.638 175.510 -0.037 0.000 1.029 186 N CA 1.446 54.479 53.050 -0.028 0.000 0.848 186 N CB -0.899 37.570 38.487 -0.029 0.000 1.007 186 N HN 0.595 nan 8.380 nan 0.000 0.423 187 A N 1.174 123.891 122.820 -0.171 0.000 1.917 187 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 187 A C 2.352 179.822 177.584 -0.191 0.000 1.182 187 A CA 2.391 54.232 52.037 -0.327 0.000 0.633 187 A CB -0.953 17.422 19.000 -1.041 0.000 0.819 187 A HN 0.500 nan 8.150 nan 0.000 0.448 188 S N -0.739 114.878 115.700 -0.139 0.000 2.469 188 S HA -0.116 4.354 4.470 -0.001 0.000 0.238 188 S C 1.486 176.085 174.600 -0.001 0.000 0.998 188 S CA 1.009 59.228 58.200 0.032 0.000 0.957 188 S CB -0.293 62.923 63.200 0.028 0.000 0.764 188 S HN 0.525 nan 8.310 nan 0.000 0.514 189 R N 1.452 121.963 120.500 0.018 0.000 2.359 189 R HA 0.169 4.508 4.340 -0.001 0.000 0.231 189 R C 1.823 178.195 176.300 0.121 0.000 0.913 189 R CA 0.949 57.071 56.100 0.037 0.000 1.075 189 R CB -1.003 29.350 30.300 0.088 0.000 1.087 189 R HN 0.803 nan 8.270 nan 0.000 0.515 190 T N -2.838 111.810 114.554 0.157 0.000 3.035 190 T HA 0.045 4.395 4.350 -0.001 0.000 0.259 190 T C 1.319 176.111 174.700 0.155 0.000 1.078 190 T CA 0.442 62.694 62.100 0.253 0.000 1.132 190 T CB 0.056 69.184 68.868 0.433 0.000 0.900 190 T HN 0.235 nan 8.240 nan 0.000 0.480 191 M N -0.312 119.312 119.600 0.041 0.000 2.965 191 M HA -0.144 4.336 4.480 -0.001 0.000 0.213 191 M C -0.392 175.944 176.300 0.061 0.000 0.564 191 M CA 0.562 55.843 55.300 -0.032 0.000 0.784 191 M CB -1.502 31.082 32.600 -0.027 0.000 2.816 191 M HN 0.409 nan 8.290 nan 0.000 0.409 192 L N -0.916 120.413 121.223 0.177 0.000 3.086 192 L HA 0.305 4.645 4.340 -0.001 0.000 0.274 192 L C -0.027 177.104 176.870 0.434 0.000 1.184 192 L CA -0.303 54.684 54.840 0.246 0.000 1.002 192 L CB 0.604 42.800 42.059 0.228 0.000 1.383 192 L HN 0.381 nan 8.230 nan 0.000 0.582 193 Y N 1.522 121.921 120.300 0.164 0.000 2.335 193 Y HA 0.385 4.935 4.550 -0.000 0.000 0.338 193 Y C 0.074 175.945 175.900 -0.049 0.000 0.977 193 Y CA -1.124 56.971 58.100 -0.007 0.000 1.114 193 Y CB 1.098 39.397 38.460 -0.268 0.000 1.182 193 Y HN -0.092 nan 8.280 nan 0.000 0.463 194 N N 6.743 125.157 118.700 -0.477 0.000 2.401 194 N HA 0.055 4.795 4.740 -0.001 0.000 0.255 194 N C 0.935 176.132 175.510 -0.522 0.000 1.110 194 N CA 0.082 52.921 53.050 -0.351 0.000 0.949 194 N CB 0.554 38.891 38.487 -0.250 0.000 1.110 194 N HN 0.935 nan 8.380 nan 0.000 0.490 195 I N 1.182 121.583 120.570 -0.282 0.000 3.111 195 I HA -0.022 4.147 4.170 -0.001 0.000 0.272 195 I C 0.518 176.470 176.117 -0.275 0.000 1.268 195 I CA 0.682 61.845 61.300 -0.230 0.000 1.467 195 I CB -0.148 37.756 38.000 -0.160 0.000 1.087 195 I HN 0.393 nan 8.210 nan 0.000 0.467 196 H N 1.314 120.320 119.070 -0.107 0.000 2.418 196 H HA 0.190 4.746 4.556 -0.001 0.000 0.300 196 H C 1.733 176.998 175.328 -0.104 0.000 1.041 196 H CA 0.904 56.892 56.048 -0.100 0.000 1.364 196 H CB 0.140 29.820 29.762 -0.136 0.000 1.439 196 H HN 0.196 nan 8.280 nan 0.000 0.540 197 K N 0.660 121.037 120.400 -0.038 0.000 2.400 197 K HA 0.134 4.454 4.320 -0.001 0.000 0.194 197 K C -0.299 176.219 176.600 -0.138 0.000 1.033 197 K CA 0.125 56.365 56.287 -0.078 0.000 1.021 197 K CB 0.590 33.041 32.500 -0.081 0.000 0.808 197 K HN 0.137 nan 8.250 nan 0.000 0.505 198 L N 2.105 123.173 121.223 -0.258 0.000 3.550 198 L HA -0.269 4.071 4.340 -0.001 0.000 0.523 198 L C -0.675 175.999 176.870 -0.326 0.000 1.312 198 L CA 0.602 55.285 54.840 -0.262 0.000 0.864 198 L CB -1.898 40.164 42.059 0.006 0.000 1.592 198 L HN 0.427 nan 8.230 nan 0.000 0.859 199 E N -1.622 118.119 120.200 -0.765 0.000 2.390 199 E HA 0.383 4.732 4.350 -0.001 0.000 0.280 199 E C -0.993 175.341 176.600 -0.443 0.000 0.992 199 E CA -1.132 55.028 56.400 -0.401 0.000 0.790 199 E CB 0.669 30.295 29.700 -0.123 0.000 1.248 199 E HN 0.158 nan 8.360 nan 0.000 0.447 200 W N 1.627 122.962 121.300 0.058 0.000 2.223 200 W HA 0.148 4.807 4.660 -0.001 0.000 0.334 200 W C 0.294 176.801 176.519 -0.020 0.000 1.334 200 W CA 0.269 57.681 57.345 0.111 0.000 1.246 200 W CB 0.479 30.020 29.460 0.136 0.000 1.184 200 W HN 0.559 nan 8.180 nan 0.000 0.563 201 D N 2.192 122.714 120.400 0.203 0.000 2.325 201 D HA -0.031 4.608 4.640 -0.001 0.000 0.251 201 D C 1.128 177.472 176.300 0.074 0.000 1.196 201 D CA -0.032 54.015 54.000 0.079 0.000 0.866 201 D CB 1.163 41.981 40.800 0.029 0.000 1.101 201 D HN 0.336 nan 8.370 nan 0.000 0.476 202 Q N 3.060 122.890 119.800 0.051 0.000 2.119 202 Q HA -0.192 4.148 4.340 -0.001 0.000 0.201 202 Q C 1.550 177.548 176.000 -0.003 0.000 0.972 202 Q CA 1.647 57.465 55.803 0.025 0.000 0.847 202 Q CB -0.006 28.745 28.738 0.021 0.000 0.903 202 Q HN 0.739 nan 8.270 nan 0.000 0.433 203 E N -0.379 119.817 120.200 -0.008 0.000 2.038 203 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 203 E C 1.871 178.441 176.600 -0.050 0.000 1.000 203 E CA 1.591 57.975 56.400 -0.025 0.000 0.803 203 E CB -0.241 29.447 29.700 -0.020 0.000 0.750 203 E HN 0.512 nan 8.360 nan 0.000 0.448 204 I N 0.859 121.403 120.570 -0.044 0.000 2.286 204 I HA -0.283 3.887 4.170 -0.001 0.000 0.248 204 I C 2.420 178.496 176.117 -0.069 0.000 1.115 204 I CA 0.739 61.999 61.300 -0.067 0.000 1.392 204 I CB -0.191 37.789 38.000 -0.032 0.000 1.065 204 I HN 0.225 nan 8.210 nan 0.000 0.418 205 L N 0.206 121.401 121.223 -0.047 0.000 2.012 205 L HA -0.255 4.085 4.340 -0.001 0.000 0.210 205 L C 2.196 179.020 176.870 -0.077 0.000 1.073 205 L CA 1.380 56.176 54.840 -0.073 0.000 0.748 205 L CB -0.738 41.282 42.059 -0.066 0.000 0.891 205 L HN 0.296 nan 8.230 nan 0.000 0.431 206 D N -0.027 120.337 120.400 -0.060 0.000 2.144 206 D HA -0.170 4.469 4.640 -0.001 0.000 0.199 206 D C 2.102 178.363 176.300 -0.065 0.000 0.984 206 D CA 1.025 54.991 54.000 -0.055 0.000 0.834 206 D CB -0.046 40.730 40.800 -0.040 0.000 0.955 206 D HN 0.151 nan 8.370 nan 0.000 0.465 207 L N 0.406 121.576 121.223 -0.088 0.000 2.131 207 L HA -0.064 4.275 4.340 -0.001 0.000 0.210 207 L C 1.714 178.527 176.870 -0.094 0.000 1.092 207 L CA 1.413 56.183 54.840 -0.116 0.000 0.759 207 L CB -0.226 41.695 42.059 -0.230 0.000 0.903 207 L HN -0.022 nan 8.230 nan 0.000 0.435 208 L N -0.339 120.830 121.223 -0.090 0.000 2.741 208 L HA 0.181 4.521 4.340 -0.001 0.000 0.237 208 L C 0.548 177.371 176.870 -0.078 0.000 1.178 208 L CA -0.114 54.680 54.840 -0.076 0.000 0.973 208 L CB -0.397 41.614 42.059 -0.081 0.000 1.255 208 L HN 0.371 nan 8.230 nan 0.000 0.498 209 N N 1.870 120.526 118.700 -0.074 0.000 2.699 209 N HA -0.252 4.487 4.740 -0.001 0.000 0.256 209 N C -0.573 174.882 175.510 -0.092 0.000 0.993 209 N CA 0.549 53.556 53.050 -0.072 0.000 0.759 209 N CB -0.970 37.481 38.487 -0.060 0.000 0.906 209 N HN 0.376 nan 8.380 nan 0.000 0.541 210 I N 1.411 121.913 120.570 -0.113 0.000 2.328 210 I HA 0.282 4.452 4.170 -0.001 0.000 0.287 210 I C -1.798 174.230 176.117 -0.149 0.000 1.012 210 I CA -1.966 59.243 61.300 -0.152 0.000 1.195 210 I CB 1.340 39.215 38.000 -0.208 0.000 1.350 210 I HN 0.080 nan 8.210 nan 0.000 0.464 211 P HA 0.029 nan 4.420 nan 0.000 0.271 211 P C 0.722 177.932 177.300 -0.150 0.000 1.226 211 P CA -0.116 62.913 63.100 -0.119 0.000 0.765 211 P CB 0.983 32.624 31.700 -0.099 0.000 0.835 212 S N 1.618 117.238 115.700 -0.135 0.000 2.537 212 S HA -0.151 4.319 4.470 -0.001 0.000 0.240 212 S C 1.742 176.259 174.600 -0.137 0.000 0.981 212 S CA 1.066 59.167 58.200 -0.165 0.000 0.948 212 S CB -1.080 62.057 63.200 -0.104 0.000 0.759 212 S HN 0.563 nan 8.310 nan 0.000 0.531 213 S N 1.930 117.570 115.700 -0.100 0.000 2.447 213 S HA 0.010 4.480 4.470 -0.001 0.000 0.233 213 S C 1.748 176.296 174.600 -0.088 0.000 1.006 213 S CA 0.913 59.071 58.200 -0.069 0.000 0.957 213 S CB -0.744 62.419 63.200 -0.060 0.000 0.773 213 S HN 0.602 nan 8.310 nan 0.000 0.507 214 M N 0.881 120.399 119.600 -0.136 0.000 2.492 214 M HA 0.262 4.741 4.480 -0.001 0.000 0.262 214 M C 0.093 176.357 176.300 -0.060 0.000 1.090 214 M CA 0.436 55.649 55.300 -0.146 0.000 1.110 214 M CB -0.390 32.111 32.600 -0.165 0.000 1.407 214 M HN 0.246 nan 8.290 nan 0.000 0.470 215 L N 2.644 123.761 121.223 -0.176 0.000 2.397 215 L HA 0.269 4.609 4.340 -0.001 0.000 0.271 215 L C -2.014 174.786 176.870 -0.117 0.000 1.148 215 L CA -1.892 52.759 54.840 -0.316 0.000 0.825 215 L CB -0.137 41.343 42.059 -0.964 0.000 1.117 215 L HN -0.104 nan 8.230 nan 0.000 0.456 216 P HA 0.220 nan 4.420 nan 0.000 0.281 216 P C -1.002 176.363 177.300 0.109 0.000 1.264 216 P CA -0.744 62.096 63.100 -0.433 0.000 0.824 216 P CB 0.951 32.184 31.700 -0.778 0.000 1.092 217 E N -0.167 120.064 120.200 0.052 0.000 2.398 217 E HA 0.231 4.580 4.350 -0.001 0.000 0.263 217 E C -0.418 176.215 176.600 0.054 0.000 1.046 217 E CA -0.455 56.023 56.400 0.130 0.000 0.908 217 E CB 0.533 30.281 29.700 0.080 0.000 0.963 217 E HN 0.156 nan 8.360 nan 0.000 0.431 218 V N 3.625 123.521 119.914 -0.030 0.000 2.394 218 V HA 0.276 4.395 4.120 -0.001 0.000 0.282 218 V C 0.184 176.077 176.094 -0.335 0.000 1.031 218 V CA -0.348 61.782 62.300 -0.284 0.000 0.881 218 V CB 1.156 32.644 31.823 -0.558 0.000 0.982 218 V HN 0.601 nan 8.190 nan 0.000 0.451 219 K N 1.760 121.930 120.400 -0.384 0.000 2.261 219 K HA 0.632 4.951 4.320 -0.001 0.000 0.242 219 K C 0.158 176.406 176.600 -0.587 0.000 1.083 219 K CA -0.628 55.445 56.287 -0.357 0.000 0.880 219 K CB 1.915 34.399 32.500 -0.027 0.000 1.353 219 K HN 0.725 nan 8.250 nan 0.000 0.486 220 S N -0.504 115.011 115.700 -0.308 0.000 2.633 220 S HA 0.120 4.589 4.470 -0.001 0.000 0.257 220 S C 0.546 175.190 174.600 0.074 0.000 1.265 220 S CA -0.298 57.850 58.200 -0.086 0.000 0.980 220 S CB 0.304 63.549 63.200 0.075 0.000 1.017 220 S HN 0.571 nan 8.310 nan 0.000 0.577 221 N N -0.131 118.653 118.700 0.141 0.000 2.299 221 N HA 0.086 4.826 4.740 -0.001 0.000 0.187 221 N C -0.282 175.266 175.510 0.064 0.000 1.099 221 N CA 0.284 53.403 53.050 0.115 0.000 0.867 221 N CB 0.605 39.125 38.487 0.055 0.000 0.974 221 N HN 0.527 nan 8.380 nan 0.000 0.477 222 S N 0.962 116.668 115.700 0.010 0.000 2.312 222 S HA 0.178 4.647 4.470 -0.001 0.000 0.173 222 S C -1.053 173.465 174.600 -0.135 0.000 1.488 222 S CA -0.642 57.532 58.200 -0.043 0.000 1.239 222 S CB -0.024 63.158 63.200 -0.030 0.000 1.215 222 S HN 0.350 nan 8.310 nan 0.000 0.438 223 E N 0.668 120.664 120.200 -0.341 0.000 2.429 223 E HA 0.453 4.802 4.350 -0.001 0.000 0.280 223 E C -1.621 174.590 176.600 -0.648 0.000 1.068 223 E CA -1.141 55.004 56.400 -0.425 0.000 0.837 223 E CB 0.919 30.366 29.700 -0.421 0.000 1.357 223 E HN 0.135 nan 8.360 nan 0.000 0.455 224 V N 2.637 122.293 119.914 -0.430 0.000 2.389 224 V HA 0.073 4.192 4.120 -0.001 0.000 0.264 224 V C -0.251 175.620 176.094 -0.372 0.000 1.049 224 V CA -0.128 61.958 62.300 -0.358 0.000 0.932 224 V CB -0.432 31.255 31.823 -0.228 0.000 1.011 224 V HN 0.629 nan 8.190 nan 0.000 0.475 225 Y N 3.368 123.587 120.300 -0.135 0.000 2.511 225 Y HA 0.486 5.035 4.550 -0.001 0.000 0.279 225 Y C 1.454 177.286 175.900 -0.113 0.000 1.157 225 Y CA 0.605 58.644 58.100 -0.103 0.000 1.300 225 Y CB 0.156 38.564 38.460 -0.086 0.000 1.052 225 Y HN 0.819 nan 8.280 nan 0.000 0.529 226 G N -1.280 107.475 108.800 -0.075 0.000 2.362 226 G HA2 0.128 4.088 3.960 -0.001 0.000 0.288 226 G HA3 0.128 4.088 3.960 -0.001 0.000 0.288 226 G C -2.029 172.671 174.900 -0.334 0.000 1.305 226 G CA -1.187 43.852 45.100 -0.102 0.000 0.910 226 G HN 0.132 nan 8.290 nan 0.000 0.518 227 H N -0.322 118.711 119.070 -0.061 0.000 2.622 227 H HA 0.669 5.226 4.556 0.001 0.000 0.363 227 H C 0.708 175.957 175.328 -0.132 0.000 1.151 227 H CA 0.230 56.222 56.048 -0.093 0.000 1.184 227 H CB 1.734 31.448 29.762 -0.079 0.000 1.643 227 H HN 0.760 nan 8.280 nan 0.000 0.531 228 T N 0.307 114.812 114.554 -0.081 0.000 2.940 228 T HA 0.168 4.518 4.350 -0.001 0.000 0.309 228 T C 0.481 175.111 174.700 -0.117 0.000 1.056 228 T CA -0.687 61.331 62.100 -0.136 0.000 1.137 228 T CB 0.527 69.259 68.868 -0.227 0.000 0.976 228 T HN 0.442 nan 8.240 nan 0.000 0.547 229 R N 2.793 123.162 120.500 -0.218 0.000 2.340 229 R HA 0.282 4.622 4.340 -0.001 0.000 0.300 229 R C 1.676 177.731 176.300 -0.407 0.000 1.069 229 R CA -0.314 55.558 56.100 -0.380 0.000 0.984 229 R CB 0.651 30.553 30.300 -0.665 0.000 1.003 229 R HN 0.881 nan 8.270 nan 0.000 0.459 230 S N 2.532 118.067 115.700 -0.275 0.000 2.422 230 S HA -0.306 4.164 4.470 -0.001 0.000 0.248 230 S C 1.516 176.039 174.600 -0.128 0.000 1.069 230 S CA 2.332 60.463 58.200 -0.115 0.000 1.214 230 S CB -0.635 62.565 63.200 -0.001 0.000 1.122 230 S HN 0.807 nan 8.310 nan 0.000 0.432 231 Y N 1.038 121.332 120.300 -0.010 0.000 2.751 231 Y HA 0.177 4.724 4.550 -0.004 0.000 0.310 231 Y C 1.447 177.311 175.900 -0.059 0.000 1.176 231 Y CA 0.389 58.465 58.100 -0.041 0.000 1.360 231 Y CB -0.459 37.982 38.460 -0.030 0.000 0.999 231 Y HN 0.141 nan 8.280 nan 0.000 0.532 232 E N -0.764 119.299 120.200 -0.229 0.000 2.572 232 E HA 0.150 4.499 4.350 -0.001 0.000 0.220 232 E C -0.467 176.141 176.600 0.013 0.000 0.945 232 E CA 0.002 56.355 56.400 -0.078 0.000 1.070 232 E CB 0.292 29.922 29.700 -0.116 0.000 1.090 232 E HN 0.561 nan 8.360 nan 0.000 0.506 233 F N 0.263 120.085 119.950 -0.214 0.000 2.605 233 F HA 0.116 4.642 4.527 -0.003 0.000 0.391 233 F C -0.673 175.132 175.800 0.008 0.000 1.429 233 F CA -0.552 57.395 58.000 -0.088 0.000 1.138 233 F CB 0.120 39.140 39.000 0.033 0.000 1.198 233 F HN -0.147 nan 8.300 nan 0.000 0.516 234 Y N -0.543 119.707 120.300 -0.083 0.000 3.617 234 Y HA -0.140 4.409 4.550 -0.002 0.000 0.215 234 Y C 0.827 176.656 175.900 -0.118 0.000 1.178 234 Y CA 0.856 58.871 58.100 -0.140 0.000 1.517 234 Y CB -1.697 36.605 38.460 -0.265 0.000 1.457 234 Y HN 0.613 nan 8.280 nan 0.000 0.615 235 G N -1.126 107.709 108.800 0.059 0.000 2.770 235 G HA2 0.424 4.383 3.960 -0.001 0.000 0.686 235 G HA3 0.424 4.383 3.960 -0.001 0.000 0.686 235 G C -0.394 174.569 174.900 0.104 0.000 1.180 235 G CA -0.447 44.684 45.100 0.052 0.000 0.767 235 G HN 1.356 nan 8.290 nan 0.000 0.646 236 S N -0.482 115.263 115.700 0.076 0.000 3.493 236 S HA -0.128 4.341 4.470 -0.001 0.000 0.825 236 S C -0.012 174.643 174.600 0.091 0.000 1.181 236 S CA 1.256 59.505 58.200 0.082 0.000 1.045 236 S CB -0.378 62.885 63.200 0.104 0.000 0.630 236 S HN 1.428 nan 8.310 nan 0.000 0.345 237 E N 1.693 121.920 120.200 0.045 0.000 2.103 237 E HA 0.447 4.797 4.350 -0.001 0.000 0.254 237 E C -0.578 176.064 176.600 0.071 0.000 0.940 237 E CA -0.543 55.873 56.400 0.027 0.000 0.771 237 E CB 1.233 30.918 29.700 -0.027 0.000 1.153 237 E HN 0.396 nan 8.360 nan 0.000 0.428 238 V N 4.635 124.554 119.914 0.008 0.000 2.567 238 V HA 0.276 4.395 4.120 -0.001 0.000 0.289 238 V C -1.931 174.129 176.094 -0.057 0.000 1.049 238 V CA -1.937 60.345 62.300 -0.029 0.000 0.969 238 V CB 1.195 32.889 31.823 -0.214 0.000 0.995 238 V HN 0.528 nan 8.190 nan 0.000 0.471 239 P HA 0.295 nan 4.420 nan 0.000 0.282 239 P C -0.614 176.534 177.300 -0.254 0.000 1.274 239 P CA -0.083 62.797 63.100 -0.366 0.000 0.770 239 P CB 0.598 32.138 31.700 -0.267 0.000 0.867 240 I N 3.113 123.537 120.570 -0.243 0.000 2.347 240 I HA 0.237 4.407 4.170 -0.001 0.000 0.294 240 I C 1.222 177.377 176.117 0.062 0.000 1.090 240 I CA -0.125 61.125 61.300 -0.083 0.000 1.314 240 I CB 0.552 38.516 38.000 -0.060 0.000 1.423 240 I HN 0.356 nan 8.210 nan 0.000 0.503 241 A N 5.176 128.031 122.820 0.059 0.000 2.589 241 A HA 0.645 4.965 4.320 -0.001 0.000 0.283 241 A C 0.625 178.306 177.584 0.161 0.000 1.187 241 A CA -0.179 51.886 52.037 0.047 0.000 0.957 241 A CB 0.327 19.295 19.000 -0.053 0.000 1.175 241 A HN 0.746 nan 8.150 nan 0.000 0.532 242 G N -0.101 108.873 108.800 0.289 0.000 2.753 242 G HA2 0.577 4.536 3.960 -0.001 0.000 0.295 242 G HA3 0.577 4.536 3.960 -0.001 0.000 0.295 242 G C -1.151 173.834 174.900 0.142 0.000 1.437 242 G CA -0.383 44.847 45.100 0.217 0.000 1.094 242 G HN 0.086 nan 8.290 nan 0.000 0.540 243 M N 0.777 120.434 119.600 0.095 0.000 2.421 243 M HA 0.736 5.216 4.480 -0.001 0.000 0.287 243 M C -0.630 175.655 176.300 -0.026 0.000 1.183 243 M CA -0.612 54.658 55.300 -0.051 0.000 0.916 243 M CB 2.806 35.242 32.600 -0.274 0.000 1.701 243 M HN 1.084 nan 8.290 nan 0.000 0.470 244 A N 1.220 124.021 122.820 -0.031 0.000 2.586 244 A HA 0.699 5.018 4.320 -0.001 0.000 0.296 244 A C -0.624 176.957 177.584 -0.005 0.000 1.040 244 A CA -0.459 51.571 52.037 -0.012 0.000 0.701 244 A CB 0.730 19.720 19.000 -0.016 0.000 1.277 244 A HN 0.980 nan 8.150 nan 0.000 0.413 245 G N 0.592 109.391 108.800 -0.002 0.000 2.491 245 G HA2 0.373 4.332 3.960 -0.001 0.000 0.238 245 G HA3 0.373 4.332 3.960 -0.001 0.000 0.238 245 G C 0.607 175.496 174.900 -0.017 0.000 1.277 245 G CA 0.590 45.682 45.100 -0.014 0.000 0.851 245 G HN 1.079 nan 8.290 nan 0.000 0.573 246 D N 0.970 121.350 120.400 -0.033 0.000 2.133 246 D HA -0.233 4.406 4.640 -0.001 0.000 0.192 246 D C 1.874 178.151 176.300 -0.038 0.000 1.001 246 D CA 1.514 55.498 54.000 -0.026 0.000 0.844 246 D CB -0.211 40.574 40.800 -0.025 0.000 0.944 246 D HN 0.340 nan 8.370 nan 0.000 0.447 247 Q N -0.069 119.666 119.800 -0.107 0.000 2.124 247 Q HA -0.136 4.204 4.340 -0.001 0.000 0.202 247 Q C 2.318 178.331 176.000 0.021 0.000 0.977 247 Q CA 1.432 57.191 55.803 -0.073 0.000 0.850 247 Q CB -0.474 28.168 28.738 -0.160 0.000 0.901 247 Q HN 0.501 nan 8.270 nan 0.000 0.429 248 Q N 0.083 119.907 119.800 0.039 0.000 2.172 248 Q HA 0.026 4.365 4.340 -0.001 0.000 0.200 248 Q C 1.961 178.044 176.000 0.138 0.000 0.964 248 Q CA 1.427 57.300 55.803 0.116 0.000 0.855 248 Q CB -0.323 28.485 28.738 0.118 0.000 0.918 248 Q HN 0.422 nan 8.270 nan 0.000 0.444 249 A N 0.479 123.347 122.820 0.080 0.000 1.933 249 A HA -0.090 4.230 4.320 -0.001 0.000 0.218 249 A C 2.225 179.868 177.584 0.099 0.000 1.175 249 A CA 1.566 53.652 52.037 0.082 0.000 0.628 249 A CB -0.885 18.140 19.000 0.040 0.000 0.814 249 A HN 0.381 nan 8.150 nan 0.000 0.444 250 A N -0.366 122.493 122.820 0.066 0.000 1.902 250 A HA -0.042 4.278 4.320 -0.001 0.000 0.217 250 A C 2.132 179.745 177.584 0.048 0.000 1.181 250 A CA 1.693 53.757 52.037 0.045 0.000 0.623 250 A CB -0.632 18.390 19.000 0.037 0.000 0.818 250 A HN 0.717 nan 8.150 nan 0.000 0.443 251 L N -1.844 119.432 121.223 0.089 0.000 2.012 251 L HA -0.113 4.226 4.340 -0.001 0.000 0.210 251 L C 2.192 179.094 176.870 0.053 0.000 1.073 251 L CA 2.151 57.045 54.840 0.090 0.000 0.748 251 L CB -0.640 41.529 42.059 0.183 0.000 0.891 251 L HN 0.367 nan 8.230 nan 0.000 0.431 252 F N 0.320 120.249 119.950 -0.035 0.000 2.146 252 F HA -0.013 4.513 4.527 -0.001 0.000 0.298 252 F C 2.296 178.066 175.800 -0.050 0.000 1.096 252 F CA 1.599 59.566 58.000 -0.054 0.000 1.275 252 F CB -0.926 38.056 39.000 -0.030 0.000 1.008 252 F HN 0.160 nan 8.300 nan 0.000 0.480 253 G N -0.955 107.877 108.800 0.053 0.000 2.448 253 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.219 253 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.219 253 G C 1.479 176.305 174.900 -0.124 0.000 1.127 253 G CA 0.393 45.437 45.100 -0.093 0.000 0.766 253 G HN 0.302 nan 8.290 nan 0.000 0.552 254 Q N -0.753 118.948 119.800 -0.164 0.000 2.436 254 Q HA 0.132 4.472 4.340 -0.001 0.000 0.209 254 Q C 1.247 177.023 176.000 -0.372 0.000 0.965 254 Q CA 0.225 55.915 55.803 -0.189 0.000 0.910 254 Q CB -0.091 28.567 28.738 -0.135 0.000 0.980 254 Q HN 0.610 nan 8.270 nan 0.000 0.491 255 M N -1.106 118.072 119.600 -0.704 0.000 2.620 255 M HA -0.214 4.266 4.480 -0.001 0.000 0.208 255 M C -0.206 175.300 176.300 -1.323 0.000 0.468 255 M CA 0.503 54.880 55.300 -1.539 0.000 0.603 255 M CB -1.547 30.564 32.600 -0.814 0.000 2.246 255 M HN 0.114 nan 8.290 nan 0.000 0.753 256 A N -0.146 122.182 122.820 -0.820 0.000 3.091 256 A HA 0.485 4.804 4.320 -0.001 0.000 0.264 256 A C 0.471 177.929 177.584 -0.209 0.000 1.673 256 A CA -0.290 51.527 52.037 -0.367 0.000 1.362 256 A CB -0.752 18.162 19.000 -0.144 0.000 1.137 256 A HN 0.483 nan 8.150 nan 0.000 0.617 257 F N -0.044 119.854 119.950 -0.085 0.000 2.743 257 F HA 0.139 4.666 4.527 -0.001 0.000 0.297 257 F C 1.003 176.779 175.800 -0.040 0.000 1.131 257 F CA 0.071 58.027 58.000 -0.073 0.000 1.426 257 F CB 0.011 38.890 39.000 -0.202 0.000 1.116 257 F HN 0.287 nan 8.300 nan 0.000 0.583 258 E N 0.653 120.931 120.200 0.130 0.000 2.250 258 E HA 0.165 4.515 4.350 -0.001 0.000 0.265 258 E C -0.216 176.436 176.600 0.087 0.000 1.033 258 E CA -0.761 55.695 56.400 0.093 0.000 0.888 258 E CB 1.085 30.821 29.700 0.060 0.000 1.151 258 E HN -0.003 nan 8.360 nan 0.000 0.412 259 K N -0.030 120.423 120.400 0.088 0.000 2.412 259 K HA 0.197 4.516 4.320 -0.001 0.000 0.281 259 K C 0.738 177.373 176.600 0.058 0.000 1.027 259 K CA 1.032 57.370 56.287 0.084 0.000 0.989 259 K CB 0.013 32.564 32.500 0.084 0.000 0.935 259 K HN 0.668 nan 8.250 nan 0.000 0.475 260 G N 3.420 112.252 108.800 0.055 0.000 2.213 260 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.236 260 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.236 260 G C 0.178 175.095 174.900 0.028 0.000 0.991 260 G CA -0.045 45.078 45.100 0.038 0.000 0.629 260 G HN 0.542 nan 8.290 nan 0.000 0.517 261 M N 0.801 120.417 119.600 0.027 0.000 2.219 261 M HA 0.560 5.040 4.480 -0.001 0.000 0.353 261 M C 0.220 176.527 176.300 0.012 0.000 1.304 261 M CA 0.448 55.750 55.300 0.004 0.000 1.115 261 M CB 1.206 33.793 32.600 -0.022 0.000 1.664 261 M HN 0.333 nan 8.290 nan 0.000 0.459 262 I N 4.003 124.574 120.570 0.002 0.000 2.769 262 I HA 0.575 4.745 4.170 -0.001 0.000 0.298 262 I C -1.264 174.853 176.117 0.001 0.000 1.128 262 I CA -0.673 60.634 61.300 0.010 0.000 1.031 262 I CB 2.055 40.062 38.000 0.013 0.000 1.235 262 I HN 0.723 nan 8.210 nan 0.000 0.423 263 K N 4.272 124.675 120.400 0.005 0.000 2.509 263 K HA 0.602 4.922 4.320 -0.001 0.000 0.266 263 K C -1.689 174.902 176.600 -0.016 0.000 0.987 263 K CA -0.780 55.507 56.287 -0.001 0.000 0.868 263 K CB 1.355 33.854 32.500 -0.002 0.000 1.421 263 K HN 0.413 nan 8.250 nan 0.000 0.444 264 N N -0.432 118.242 118.700 -0.044 0.000 2.310 264 N HA 0.470 5.210 4.740 -0.001 0.000 0.292 264 N C -1.762 173.622 175.510 -0.210 0.000 1.049 264 N CA -0.387 52.565 53.050 -0.162 0.000 0.849 264 N CB 2.410 40.745 38.487 -0.255 0.000 1.532 264 N HN 0.678 nan 8.380 nan 0.000 0.479 265 T N 3.262 117.691 114.554 -0.209 0.000 2.770 265 T HA 0.323 4.672 4.350 -0.001 0.000 0.283 265 T C -0.865 173.720 174.700 -0.191 0.000 0.988 265 T CA -0.151 61.892 62.100 -0.095 0.000 0.957 265 T CB 0.074 68.970 68.868 0.046 0.000 0.930 265 T HN 0.281 nan 8.240 nan 0.000 0.443 266 Y N 2.420 122.769 120.300 0.081 0.000 2.535 266 Y HA 0.568 5.118 4.550 -0.001 0.000 0.349 266 Y C 1.019 176.985 175.900 0.110 0.000 0.992 266 Y CA -0.277 57.867 58.100 0.073 0.000 1.248 266 Y CB 0.692 39.167 38.460 0.025 0.000 1.124 266 Y HN 0.885 nan 8.280 nan 0.000 0.520 267 G N 0.296 109.245 108.800 0.249 0.000 3.214 267 G HA2 0.117 4.076 3.960 -0.001 0.000 0.188 267 G HA3 0.117 4.076 3.960 -0.001 0.000 0.188 267 G C 0.719 175.789 174.900 0.284 0.000 1.126 267 G CA -0.345 44.907 45.100 0.252 0.000 0.796 267 G HN 0.279 nan 8.290 nan 0.000 0.631 268 T N 0.211 114.967 114.554 0.338 0.000 2.721 268 T HA 0.098 4.448 4.350 -0.001 0.000 0.268 268 T C 1.085 176.042 174.700 0.428 0.000 1.038 268 T CA 1.818 64.151 62.100 0.388 0.000 1.145 268 T CB -0.431 68.737 68.868 0.501 0.000 0.858 268 T HN 0.834 nan 8.240 nan 0.000 0.459 269 G N -0.746 108.350 108.800 0.494 0.000 2.730 269 G HA2 0.684 4.644 3.960 -0.001 0.000 0.289 269 G HA3 0.684 4.644 3.960 -0.001 0.000 0.289 269 G C -1.607 173.316 174.900 0.037 0.000 1.341 269 G CA -0.386 44.881 45.100 0.279 0.000 0.932 269 G HN 0.385 nan 8.290 nan 0.000 0.481 270 A N -0.555 122.017 122.820 -0.414 0.000 2.324 270 A HA 0.863 5.182 4.320 -0.001 0.000 0.330 270 A C -1.578 175.507 177.584 -0.831 0.000 1.165 270 A CA -0.568 51.220 52.037 -0.415 0.000 0.813 270 A CB 0.734 19.519 19.000 -0.358 0.000 1.197 270 A HN 0.592 nan 8.150 nan 0.000 0.484 271 F N 1.863 121.687 119.950 -0.210 0.000 2.745 271 F HA 0.387 4.914 4.527 -0.000 0.000 0.343 271 F C -0.629 175.091 175.800 -0.132 0.000 1.196 271 F CA -0.368 57.546 58.000 -0.144 0.000 1.021 271 F CB 1.528 40.473 39.000 -0.092 0.000 1.297 271 F HN 0.276 nan 8.300 nan 0.000 0.486 272 I N 4.197 124.762 120.570 -0.009 0.000 2.352 272 I HA 0.377 4.546 4.170 -0.001 0.000 0.290 272 I C -0.248 175.908 176.117 0.066 0.000 1.036 272 I CA -0.494 60.800 61.300 -0.009 0.000 1.336 272 I CB 0.889 38.865 38.000 -0.041 0.000 1.407 272 I HN 0.205 nan 8.210 nan 0.000 0.497 273 V N 7.485 127.439 119.914 0.066 0.000 2.638 273 V HA 0.524 4.644 4.120 -0.001 0.000 0.306 273 V C -0.322 175.816 176.094 0.074 0.000 1.052 273 V CA -0.709 61.645 62.300 0.091 0.000 0.885 273 V CB 1.882 33.769 31.823 0.107 0.000 0.999 273 V HN 0.739 nan 8.190 nan 0.000 0.424 274 M N 4.560 124.209 119.600 0.081 0.000 2.253 274 M HA 0.543 5.022 4.480 -0.001 0.000 0.314 274 M C -0.548 175.805 176.300 0.089 0.000 1.019 274 M CA -0.443 54.900 55.300 0.072 0.000 0.932 274 M CB 1.509 34.144 32.600 0.059 0.000 1.606 274 M HN 0.683 nan 8.290 nan 0.000 0.430 275 N N 2.508 121.264 118.700 0.094 0.000 2.468 275 N HA 0.083 4.822 4.740 -0.001 0.000 0.265 275 N C 0.095 175.667 175.510 0.103 0.000 1.199 275 N CA 0.624 53.741 53.050 0.111 0.000 0.928 275 N CB 1.026 39.590 38.487 0.129 0.000 1.059 275 N HN 0.815 nan 8.380 nan 0.000 0.467 276 T N 0.388 115.013 114.554 0.118 0.000 3.132 276 T HA 0.400 4.750 4.350 -0.001 0.000 0.274 276 T C 0.866 175.646 174.700 0.133 0.000 1.011 276 T CA 0.196 62.362 62.100 0.110 0.000 0.899 276 T CB -0.349 68.575 68.868 0.094 0.000 1.089 276 T HN 0.693 nan 8.240 nan 0.000 0.543 277 G N 2.108 111.018 108.800 0.183 0.000 2.693 277 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.226 277 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.226 277 G C 0.243 175.273 174.900 0.217 0.000 1.354 277 G CA -0.054 45.194 45.100 0.247 0.000 0.873 277 G HN 0.357 nan 8.290 nan 0.000 0.562 278 E N 0.677 120.943 120.200 0.110 0.000 2.472 278 E HA 0.023 4.372 4.350 -0.001 0.000 0.200 278 E C 0.365 177.025 176.600 0.101 0.000 1.046 278 E CA 0.753 57.143 56.400 -0.017 0.000 0.871 278 E CB 0.101 29.712 29.700 -0.150 0.000 0.806 278 E HN 0.367 nan 8.360 nan 0.000 0.533 279 E N 1.074 121.307 120.200 0.055 0.000 2.158 279 E HA 0.258 4.608 4.350 -0.001 0.000 0.271 279 E C -2.486 174.000 176.600 -0.190 0.000 0.911 279 E CA -2.731 53.621 56.400 -0.079 0.000 0.767 279 E CB 1.394 31.064 29.700 -0.050 0.000 1.120 279 E HN -0.089 nan 8.360 nan 0.000 0.405 280 P HA -0.016 nan 4.420 nan 0.000 0.268 280 P C -0.304 176.894 177.300 -0.171 0.000 1.204 280 P CA -0.124 62.682 63.100 -0.489 0.000 0.768 280 P CB 0.454 31.797 31.700 -0.596 0.000 0.842 281 Q N 2.531 122.284 119.800 -0.079 0.000 2.308 281 Q HA -0.076 4.264 4.340 -0.001 0.000 0.313 281 Q C 0.841 176.829 176.000 -0.020 0.000 1.075 281 Q CA 0.359 56.149 55.803 -0.021 0.000 0.995 281 Q CB -0.033 28.715 28.738 0.017 0.000 1.107 281 Q HN 0.342 nan 8.270 nan 0.000 0.380 282 L N 3.318 124.531 121.223 -0.017 0.000 2.013 282 L HA -0.116 4.224 4.340 -0.001 0.000 0.212 282 L C 0.405 177.278 176.870 0.004 0.000 1.073 282 L CA 2.145 56.977 54.840 -0.014 0.000 0.753 282 L CB -0.196 41.856 42.059 -0.012 0.000 0.890 282 L HN 0.588 nan 8.230 nan 0.000 0.432 283 S N -0.799 114.910 115.700 0.016 0.000 2.561 283 S HA 0.440 4.909 4.470 -0.001 0.000 0.303 283 S C -0.670 173.958 174.600 0.046 0.000 1.110 283 S CA -0.344 57.873 58.200 0.029 0.000 1.034 283 S CB 0.872 64.083 63.200 0.019 0.000 1.010 283 S HN 0.505 nan 8.310 nan 0.000 0.482 284 D N 3.283 123.726 120.400 0.071 0.000 2.819 284 D HA 0.124 4.763 4.640 -0.001 0.000 0.326 284 D C 0.779 177.128 176.300 0.082 0.000 1.408 284 D CA -0.475 53.581 54.000 0.092 0.000 0.811 284 D CB -0.597 40.280 40.800 0.128 0.000 1.148 284 D HN 0.460 nan 8.370 nan 0.000 0.457 285 N N 1.724 120.450 118.700 0.043 0.000 1.867 285 N HA -0.283 4.457 4.740 -0.001 0.000 0.147 285 N C 0.209 175.731 175.510 0.019 0.000 0.702 285 N CA 2.321 55.379 53.050 0.014 0.000 0.836 285 N CB -0.242 38.258 38.487 0.021 0.000 0.873 285 N HN 0.132 nan 8.380 nan 0.000 1.165 286 D N -0.097 120.349 120.400 0.078 0.000 2.587 286 D HA 0.261 4.900 4.640 -0.001 0.000 0.233 286 D C -0.139 176.357 176.300 0.327 0.000 1.213 286 D CA 0.066 54.167 54.000 0.168 0.000 0.827 286 D CB -0.026 40.873 40.800 0.166 0.000 1.006 286 D HN 0.282 nan 8.370 nan 0.000 0.490 287 L N -1.028 120.330 121.223 0.225 0.000 2.177 287 L HA 0.552 4.892 4.340 -0.001 0.000 0.255 287 L C -0.343 176.655 176.870 0.213 0.000 1.065 287 L CA -1.109 53.919 54.840 0.313 0.000 0.982 287 L CB 1.246 43.437 42.059 0.220 0.000 1.559 287 L HN -0.297 nan 8.230 nan 0.000 0.492 288 L N -0.149 121.225 121.223 0.252 0.000 2.346 288 L HA 0.523 4.863 4.340 -0.001 0.000 0.276 288 L C -0.744 176.203 176.870 0.128 0.000 1.006 288 L CA -0.390 54.556 54.840 0.177 0.000 0.817 288 L CB 1.945 44.168 42.059 0.275 0.000 1.272 288 L HN 0.467 nan 8.230 nan 0.000 0.421 289 T N 1.462 116.042 114.554 0.045 0.000 2.749 289 T HA 0.577 4.927 4.350 -0.001 0.000 0.287 289 T C 0.104 174.806 174.700 0.005 0.000 0.970 289 T CA -0.446 61.665 62.100 0.019 0.000 0.980 289 T CB 1.220 70.056 68.868 -0.054 0.000 0.924 289 T HN 0.813 nan 8.240 nan 0.000 0.456 290 T N 0.321 114.915 114.554 0.067 0.000 2.696 290 T HA 0.709 5.059 4.350 -0.001 0.000 0.291 290 T C -0.634 174.106 174.700 0.067 0.000 1.095 290 T CA -0.933 61.197 62.100 0.051 0.000 1.026 290 T CB 0.876 69.777 68.868 0.055 0.000 1.390 290 T HN 0.398 nan 8.240 nan 0.000 0.513 291 I N 1.598 122.149 120.570 -0.031 0.000 2.321 291 I HA 0.422 4.592 4.170 -0.001 0.000 0.291 291 I C 1.553 177.609 176.117 -0.101 0.000 0.998 291 I CA -0.741 60.441 61.300 -0.197 0.000 1.227 291 I CB 1.443 39.291 38.000 -0.253 0.000 1.368 291 I HN 1.027 nan 8.210 nan 0.000 0.466 292 G N 6.601 115.319 108.800 -0.136 0.000 2.424 292 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.214 292 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.214 292 G C -0.042 174.934 174.900 0.126 0.000 1.202 292 G CA 0.902 46.008 45.100 0.011 0.000 0.793 292 G HN 0.683 nan 8.290 nan 0.000 0.534 293 Y N -3.499 116.826 120.300 0.041 0.000 2.662 293 Y HA 0.600 5.149 4.550 -0.001 0.000 0.334 293 Y C -0.471 175.473 175.900 0.072 0.000 1.185 293 Y CA -1.554 56.576 58.100 0.050 0.000 1.074 293 Y CB 0.670 39.151 38.460 0.035 0.000 1.330 293 Y HN 0.276 nan 8.280 nan 0.000 0.458 294 G N 2.257 111.233 108.800 0.293 0.000 2.574 294 G HA2 0.650 4.609 3.960 -0.001 0.000 0.306 294 G HA3 0.650 4.609 3.960 -0.001 0.000 0.306 294 G C -1.831 173.259 174.900 0.317 0.000 1.334 294 G CA -0.800 44.441 45.100 0.236 0.000 0.954 294 G HN 0.969 nan 8.290 nan 0.000 0.500 295 I N 1.299 122.075 120.570 0.344 0.000 3.095 295 I HA 0.376 4.545 4.170 -0.001 0.000 0.310 295 I C -0.468 175.784 176.117 0.225 0.000 1.196 295 I CA -1.000 60.454 61.300 0.256 0.000 0.985 295 I CB 2.110 40.267 38.000 0.261 0.000 1.250 295 I HN 0.514 nan 8.210 nan 0.000 0.446 296 N N 4.183 122.968 118.700 0.141 0.000 2.701 296 N HA -0.221 4.518 4.740 -0.001 0.000 0.250 296 N C 0.770 176.334 175.510 0.089 0.000 1.046 296 N CA 1.429 54.542 53.050 0.106 0.000 0.733 296 N CB -1.393 37.163 38.487 0.115 0.000 0.973 296 N HN 1.168 nan 8.380 nan 0.000 0.541 297 G N -1.671 107.176 108.800 0.079 0.000 2.184 297 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.264 297 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.264 297 G C 0.062 174.965 174.900 0.004 0.000 0.975 297 G CA 1.047 46.176 45.100 0.048 0.000 0.642 297 G HN 0.560 nan 8.290 nan 0.000 0.536 298 K N -0.592 119.803 120.400 -0.008 0.000 2.281 298 K HA 0.709 5.028 4.320 -0.001 0.000 0.242 298 K C -0.619 175.785 176.600 -0.327 0.000 0.971 298 K CA -0.911 55.259 56.287 -0.194 0.000 0.834 298 K CB 2.920 35.254 32.500 -0.277 0.000 1.181 298 K HN 0.013 nan 8.250 nan 0.000 0.435 299 V N 2.917 122.504 119.914 -0.545 0.000 2.409 299 V HA 0.292 4.412 4.120 -0.001 0.000 0.291 299 V C -1.356 174.222 176.094 -0.861 0.000 1.020 299 V CA -0.790 61.116 62.300 -0.656 0.000 0.848 299 V CB 0.552 31.946 31.823 -0.714 0.000 0.990 299 V HN 0.571 nan 8.190 nan 0.000 0.430 300 Y N 4.269 124.232 120.300 -0.561 0.000 2.328 300 Y HA 0.580 5.129 4.550 -0.001 0.000 0.337 300 Y C -0.026 175.497 175.900 -0.629 0.000 1.008 300 Y CA -0.565 57.214 58.100 -0.534 0.000 1.129 300 Y CB 0.985 39.010 38.460 -0.725 0.000 1.185 300 Y HN 0.524 nan 8.280 nan 0.000 0.476 301 Y N 1.428 121.652 120.300 -0.128 0.000 2.374 301 Y HA 0.695 5.245 4.550 -0.000 0.000 0.322 301 Y C 0.331 176.203 175.900 -0.046 0.000 1.275 301 Y CA -0.667 57.369 58.100 -0.108 0.000 1.307 301 Y CB 1.161 39.556 38.460 -0.108 0.000 1.282 301 Y HN 0.623 nan 8.280 nan 0.000 0.509 302 A N 1.328 124.235 122.820 0.145 0.000 2.556 302 A HA 0.734 5.054 4.320 -0.001 0.000 0.294 302 A C -1.985 175.670 177.584 0.119 0.000 1.091 302 A CA -0.782 51.324 52.037 0.115 0.000 0.704 302 A CB 1.437 20.495 19.000 0.098 0.000 1.300 302 A HN 0.703 nan 8.150 nan 0.000 0.406 303 L N 1.107 122.396 121.223 0.109 0.000 2.333 303 L HA 0.600 4.940 4.340 -0.001 0.000 0.280 303 L C -0.265 176.682 176.870 0.127 0.000 1.004 303 L CA -0.227 54.680 54.840 0.111 0.000 0.820 303 L CB 1.618 43.732 42.059 0.092 0.000 1.247 303 L HN 0.955 nan 8.230 nan 0.000 0.416 304 E N 2.250 122.549 120.200 0.165 0.000 2.288 304 E HA 0.637 4.987 4.350 -0.001 0.000 0.268 304 E C -0.996 175.746 176.600 0.236 0.000 0.885 304 E CA -0.746 55.772 56.400 0.197 0.000 0.767 304 E CB 2.431 32.278 29.700 0.245 0.000 1.220 304 E HN 0.675 nan 8.360 nan 0.000 0.427 305 G N 1.587 110.487 108.800 0.167 0.000 2.675 305 G HA2 0.374 4.333 3.960 -0.001 0.000 0.297 305 G HA3 0.374 4.333 3.960 -0.001 0.000 0.297 305 G C -0.992 173.876 174.900 -0.055 0.000 1.399 305 G CA -0.448 44.712 45.100 0.100 0.000 0.981 305 G HN 0.326 nan 8.290 nan 0.000 0.519 306 S N 1.611 117.217 115.700 -0.155 0.000 2.475 306 S HA 0.441 4.910 4.470 -0.001 0.000 0.281 306 S C 0.109 174.089 174.600 -1.035 0.000 1.198 306 S CA -0.316 57.556 58.200 -0.546 0.000 1.063 306 S CB 0.986 64.001 63.200 -0.308 0.000 0.972 306 S HN 0.486 nan 8.310 nan 0.000 0.486 307 I N 4.390 124.316 120.570 -1.073 0.000 2.460 307 I HA 0.213 4.383 4.170 -0.001 0.000 0.277 307 I C 0.067 175.776 176.117 -0.680 0.000 1.057 307 I CA -0.397 60.441 61.300 -0.770 0.000 1.179 307 I CB 0.509 38.221 38.000 -0.480 0.000 1.329 307 I HN 0.570 nan 8.210 nan 0.000 0.478 308 F N 4.309 124.083 119.950 -0.294 0.000 2.091 308 F HA -0.143 4.384 4.527 -0.001 0.000 0.299 308 F C 1.319 177.184 175.800 0.108 0.000 1.103 308 F CA 1.016 59.013 58.000 -0.006 0.000 1.228 308 F CB -0.463 38.540 39.000 0.005 0.000 0.984 308 F HN 0.091 nan 8.300 nan 0.000 0.477 309 V N -0.082 119.937 119.914 0.175 0.000 2.328 309 V HA 0.652 4.771 4.120 -0.001 0.000 0.278 309 V C 0.322 176.461 176.094 0.075 0.000 1.021 309 V CA 0.163 62.537 62.300 0.124 0.000 0.838 309 V CB 0.505 32.311 31.823 -0.028 0.000 0.999 309 V HN 0.291 nan 8.190 nan 0.000 0.447 310 A N 4.350 127.254 122.820 0.139 0.000 1.807 310 A HA 0.513 4.832 4.320 -0.001 0.000 0.178 310 A C 1.918 179.604 177.584 0.169 0.000 2.008 310 A CA 0.799 52.913 52.037 0.128 0.000 1.178 310 A CB -0.701 18.372 19.000 0.122 0.000 0.966 310 A HN 0.734 nan 8.150 nan 0.000 0.653 311 G N 0.580 109.500 108.800 0.200 0.000 2.408 311 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.217 311 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.217 311 G C 1.778 176.803 174.900 0.208 0.000 1.150 311 G CA 1.985 47.200 45.100 0.192 0.000 0.776 311 G HN 1.034 nan 8.290 nan 0.000 0.542 312 S N 0.911 116.753 115.700 0.237 0.000 2.469 312 S HA 0.216 4.686 4.470 -0.001 0.000 0.238 312 S C 2.426 177.228 174.600 0.337 0.000 0.998 312 S CA 1.230 59.581 58.200 0.252 0.000 0.957 312 S CB -0.166 63.177 63.200 0.239 0.000 0.764 312 S HN 0.524 nan 8.310 nan 0.000 0.514 313 A N 2.130 125.154 122.820 0.340 0.000 1.929 313 A HA 0.138 4.457 4.320 -0.001 0.000 0.216 313 A C 2.143 180.004 177.584 0.461 0.000 1.176 313 A CA 1.135 53.449 52.037 0.461 0.000 0.628 313 A CB -0.500 18.660 19.000 0.266 0.000 0.816 313 A HN 0.524 nan 8.150 nan 0.000 0.444 314 I N -0.144 120.602 120.570 0.293 0.000 2.353 314 I HA -0.188 3.981 4.170 -0.001 0.000 0.248 314 I C 2.541 178.773 176.117 0.192 0.000 1.119 314 I CA 1.572 63.002 61.300 0.217 0.000 1.417 314 I CB -1.369 36.716 38.000 0.142 0.000 1.078 314 I HN 0.567 nan 8.210 nan 0.000 0.421 315 Q N -0.092 119.830 119.800 0.203 0.000 2.170 315 Q HA -0.259 4.081 4.340 -0.001 0.000 0.203 315 Q C 2.280 178.381 176.000 0.168 0.000 0.976 315 Q CA 1.684 57.578 55.803 0.153 0.000 0.858 315 Q CB -0.238 28.588 28.738 0.147 0.000 0.907 315 Q HN 0.554 nan 8.270 nan 0.000 0.433 316 W N 0.573 121.894 121.300 0.035 0.000 2.436 316 W HA -0.065 4.594 4.660 -0.001 0.000 0.284 316 W C 1.232 177.751 176.519 -0.001 0.000 1.225 316 W CA 0.920 58.242 57.345 -0.039 0.000 1.271 316 W CB -0.168 29.242 29.460 -0.084 0.000 1.114 316 W HN 0.105 nan 8.180 nan 0.000 0.559 317 L N 0.659 121.882 121.223 -0.000 0.000 2.093 317 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 317 L C 2.915 179.670 176.870 -0.192 0.000 1.085 317 L CA 1.494 56.209 54.840 -0.207 0.000 0.755 317 L CB -0.805 41.263 42.059 0.014 0.000 0.904 317 L HN -0.020 nan 8.230 nan 0.000 0.435 318 R N -0.018 120.435 120.500 -0.079 0.000 2.100 318 R HA -0.098 4.241 4.340 -0.001 0.000 0.220 318 R C 1.160 177.407 176.300 -0.088 0.000 1.091 318 R CA 1.427 57.486 56.100 -0.068 0.000 0.986 318 R CB 0.102 30.394 30.300 -0.013 0.000 0.888 318 R HN 0.339 nan 8.270 nan 0.000 0.444 319 D N -1.398 118.954 120.400 -0.079 0.000 2.388 319 D HA 0.083 4.722 4.640 -0.001 0.000 0.208 319 D C 1.415 177.641 176.300 -0.124 0.000 1.035 319 D CA 0.795 54.751 54.000 -0.073 0.000 0.875 319 D CB 0.396 41.185 40.800 -0.019 0.000 0.984 319 D HN 0.372 nan 8.370 nan 0.000 0.508 320 G N 0.931 109.594 108.800 -0.229 0.000 2.557 320 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.213 320 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.213 320 G C 1.539 176.203 174.900 -0.393 0.000 1.221 320 G CA -0.080 44.843 45.100 -0.295 0.000 0.832 320 G HN 0.130 nan 8.290 nan 0.000 0.556 321 L N -0.344 120.476 121.223 -0.672 0.000 2.395 321 L HA 0.195 4.534 4.340 -0.001 0.000 0.218 321 L C 1.114 177.777 176.870 -0.345 0.000 1.130 321 L CA 0.187 54.710 54.840 -0.528 0.000 0.826 321 L CB -0.146 41.476 42.059 -0.729 0.000 0.941 321 L HN 0.238 nan 8.230 nan 0.000 0.451 322 R N -0.818 119.503 120.500 -0.299 0.000 3.525 322 R HA -0.242 4.097 4.340 -0.001 0.000 0.276 322 R C 1.179 177.366 176.300 -0.188 0.000 1.116 322 R CA 0.726 56.709 56.100 -0.195 0.000 0.745 322 R CB -2.041 28.170 30.300 -0.149 0.000 1.185 322 R HN 0.413 nan 8.270 nan 0.000 0.454 323 M N 0.677 120.139 119.600 -0.230 0.000 2.447 323 M HA 0.089 4.569 4.480 -0.001 0.000 0.264 323 M C 0.731 176.960 176.300 -0.120 0.000 1.095 323 M CA 1.227 56.409 55.300 -0.196 0.000 1.125 323 M CB 0.485 32.935 32.600 -0.249 0.000 1.389 323 M HN 0.341 nan 8.290 nan 0.000 0.459 324 I N -3.797 116.713 120.570 -0.100 0.000 2.785 324 I HA 0.361 4.531 4.170 -0.001 0.000 0.302 324 I C -0.026 176.058 176.117 -0.054 0.000 1.069 324 I CA -0.846 60.419 61.300 -0.059 0.000 1.045 324 I CB 1.754 39.735 38.000 -0.031 0.000 1.236 324 I HN -0.039 nan 8.210 nan 0.000 0.429 325 E N 1.121 121.297 120.200 -0.040 0.000 2.170 325 E HA 0.072 4.421 4.350 -0.001 0.000 0.191 325 E C 0.034 176.620 176.600 -0.024 0.000 0.981 325 E CA 0.841 57.221 56.400 -0.034 0.000 0.830 325 E CB 0.436 30.118 29.700 -0.029 0.000 0.775 325 E HN 0.682 nan 8.360 nan 0.000 0.470 326 T N -1.005 113.539 114.554 -0.016 0.000 2.933 326 T HA 0.171 4.520 4.350 -0.001 0.000 0.305 326 T C 0.599 175.300 174.700 0.002 0.000 1.092 326 T CA -0.563 61.533 62.100 -0.006 0.000 1.008 326 T CB 1.835 70.701 68.868 -0.005 0.000 1.102 326 T HN -0.159 nan 8.240 nan 0.000 0.469 327 S N 3.710 119.417 115.700 0.013 0.000 2.353 327 S HA -0.070 4.399 4.470 -0.001 0.000 0.222 327 S C -0.999 173.613 174.600 0.020 0.000 1.035 327 S CA 1.507 59.723 58.200 0.026 0.000 1.025 327 S CB -0.779 62.445 63.200 0.040 0.000 0.902 327 S HN 0.601 nan 8.310 nan 0.000 0.440 328 P HA -0.133 nan 4.420 nan 0.000 0.221 328 P C 1.306 178.608 177.300 0.003 0.000 1.145 328 P CA 0.945 64.051 63.100 0.010 0.000 0.795 328 P CB -0.057 31.649 31.700 0.010 0.000 0.775 329 Q N 0.116 119.917 119.800 0.001 0.000 2.437 329 Q HA -0.112 4.228 4.340 -0.001 0.000 0.210 329 Q C 1.821 177.818 176.000 -0.004 0.000 0.972 329 Q CA 1.386 57.187 55.803 -0.004 0.000 0.903 329 Q CB -0.277 28.456 28.738 -0.008 0.000 0.967 329 Q HN 0.285 nan 8.270 nan 0.000 0.486 330 S N -0.187 115.514 115.700 0.001 0.000 2.402 330 S HA -0.211 4.259 4.470 -0.001 0.000 0.229 330 S C 1.733 176.325 174.600 -0.013 0.000 1.021 330 S CA 1.161 59.362 58.200 0.002 0.000 0.974 330 S CB -0.220 62.990 63.200 0.017 0.000 0.800 330 S HN 0.583 nan 8.310 nan 0.000 0.484 331 E N 1.154 121.344 120.200 -0.017 0.000 2.204 331 E HA -0.138 4.212 4.350 -0.001 0.000 0.194 331 E C 2.004 178.589 176.600 -0.026 0.000 0.989 331 E CA 0.925 57.307 56.400 -0.030 0.000 0.824 331 E CB -0.139 29.544 29.700 -0.027 0.000 0.756 331 E HN 0.737 nan 8.360 nan 0.000 0.477 332 E N 0.221 120.410 120.200 -0.017 0.000 2.046 332 E HA -0.135 4.214 4.350 -0.001 0.000 0.190 332 E C 2.195 178.785 176.600 -0.017 0.000 0.982 332 E CA 0.921 57.312 56.400 -0.015 0.000 0.800 332 E CB 0.035 29.729 29.700 -0.011 0.000 0.756 332 E HN 0.318 nan 8.360 nan 0.000 0.449 333 L N 0.419 121.633 121.223 -0.015 0.000 2.017 333 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 333 L C 2.574 179.433 176.870 -0.019 0.000 1.073 333 L CA 1.110 55.943 54.840 -0.013 0.000 0.745 333 L CB -0.419 41.637 42.059 -0.005 0.000 0.894 333 L HN 0.149 nan 8.230 nan 0.000 0.432 334 A N -0.142 122.660 122.820 -0.030 0.000 1.972 334 A HA -0.125 4.195 4.320 -0.001 0.000 0.219 334 A C 2.439 179.988 177.584 -0.060 0.000 1.169 334 A CA 1.609 53.613 52.037 -0.054 0.000 0.635 334 A CB -0.598 18.352 19.000 -0.083 0.000 0.810 334 A HN 0.412 nan 8.150 nan 0.000 0.446 335 A N -0.485 122.308 122.820 -0.046 0.000 2.066 335 A HA -0.010 4.309 4.320 -0.001 0.000 0.218 335 A C 1.874 179.442 177.584 -0.027 0.000 1.157 335 A CA 1.314 53.328 52.037 -0.038 0.000 0.670 335 A CB -0.231 18.753 19.000 -0.027 0.000 0.804 335 A HN 0.508 nan 8.150 nan 0.000 0.453 336 K N 0.135 120.521 120.400 -0.023 0.000 2.404 336 K HA 0.335 4.655 4.320 -0.001 0.000 0.194 336 K C 0.518 177.108 176.600 -0.016 0.000 1.023 336 K CA 0.198 56.476 56.287 -0.016 0.000 1.094 336 K CB 0.133 32.625 32.500 -0.013 0.000 0.841 336 K HN 0.408 nan 8.250 nan 0.000 0.523 337 A N 2.484 125.290 122.820 -0.023 0.000 2.511 337 A HA -0.004 4.315 4.320 -0.001 0.000 0.242 337 A C 1.101 178.675 177.584 -0.017 0.000 1.069 337 A CA 0.141 52.165 52.037 -0.021 0.000 0.763 337 A CB 0.301 19.278 19.000 -0.038 0.000 1.001 337 A HN 0.215 nan 8.150 nan 0.000 0.498 338 K N 2.904 123.298 120.400 -0.010 0.000 2.436 338 K HA 0.128 4.448 4.320 -0.001 0.000 0.198 338 K C 0.894 177.492 176.600 -0.003 0.000 1.174 338 K CA 0.702 56.986 56.287 -0.005 0.000 0.951 338 K CB -0.958 31.541 32.500 -0.002 0.000 1.040 338 K HN 0.733 nan 8.250 nan 0.000 0.536 339 G N 2.091 110.888 108.800 -0.004 0.000 2.855 339 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.248 339 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.248 339 G C 0.085 174.983 174.900 -0.004 0.000 1.243 339 G CA 0.137 45.236 45.100 -0.002 0.000 0.881 339 G HN 0.124 nan 8.290 nan 0.000 0.598 340 D N -0.396 120.004 120.400 0.000 0.000 2.310 340 D HA -0.101 4.539 4.640 -0.001 0.000 0.212 340 D C 1.456 177.755 176.300 -0.001 0.000 0.965 340 D CA 0.735 54.739 54.000 0.007 0.000 0.879 340 D CB -0.003 40.807 40.800 0.016 0.000 0.921 340 D HN 0.463 nan 8.370 nan 0.000 0.510 341 N N 0.246 118.927 118.700 -0.032 0.000 2.862 341 N HA -0.202 4.537 4.740 -0.001 0.000 0.248 341 N C -0.021 175.407 175.510 -0.137 0.000 1.116 341 N CA 1.014 54.021 53.050 -0.072 0.000 0.727 341 N CB -1.384 37.092 38.487 -0.018 0.000 1.083 341 N HN 0.541 nan 8.380 nan 0.000 0.555 342 E N -2.019 118.113 120.200 -0.113 0.000 2.463 342 E HA 0.217 4.566 4.350 -0.001 0.000 0.193 342 E C 0.070 176.555 176.600 -0.192 0.000 1.041 342 E CA -0.251 56.092 56.400 -0.095 0.000 0.879 342 E CB 0.460 30.177 29.700 0.028 0.000 0.997 342 E HN 0.146 nan 8.360 nan 0.000 0.478 343 V N 1.500 121.242 119.914 -0.286 0.000 2.539 343 V HA 0.276 4.396 4.120 -0.001 0.000 0.292 343 V C -0.963 174.902 176.094 -0.383 0.000 1.045 343 V CA -0.530 61.658 62.300 -0.187 0.000 0.945 343 V CB 0.291 32.064 31.823 -0.085 0.000 0.993 343 V HN 0.144 nan 8.190 nan 0.000 0.464 344 Y N 1.983 122.354 120.300 0.117 0.000 2.421 344 Y HA 0.646 5.196 4.550 -0.001 0.000 0.339 344 Y C -0.278 175.700 175.900 0.132 0.000 0.996 344 Y CA -0.844 57.361 58.100 0.174 0.000 1.046 344 Y CB 2.298 40.867 38.460 0.181 0.000 1.226 344 Y HN 0.334 nan 8.280 nan 0.000 0.445 345 V N 4.104 124.189 119.914 0.286 0.000 2.448 345 V HA 0.491 4.610 4.120 -0.001 0.000 0.295 345 V C -0.814 175.434 176.094 0.255 0.000 1.025 345 V CA -0.904 61.471 62.300 0.125 0.000 0.859 345 V CB 1.805 33.586 31.823 -0.070 0.000 0.988 345 V HN 0.526 nan 8.190 nan 0.000 0.431 346 V N 7.362 127.346 119.914 0.118 0.000 2.266 346 V HA 0.301 4.421 4.120 -0.001 0.000 0.271 346 V C -1.699 174.320 176.094 -0.125 0.000 1.032 346 V CA -1.230 61.098 62.300 0.047 0.000 0.806 346 V CB 1.649 33.407 31.823 -0.108 0.000 1.052 346 V HN 0.797 nan 8.190 nan 0.000 0.449 347 P HA 0.095 nan 4.420 nan 0.000 0.269 347 P C 0.529 177.279 177.300 -0.918 0.000 1.601 347 P CA 0.035 62.687 63.100 -0.746 0.000 0.831 347 P CB 0.216 31.580 31.700 -0.561 0.000 1.688 348 A N -0.042 122.494 122.820 -0.473 0.000 3.051 348 A HA 0.153 4.472 4.320 -0.001 0.000 0.257 348 A C 0.877 178.327 177.584 -0.223 0.000 1.785 348 A CA -0.436 51.433 52.037 -0.280 0.000 1.420 348 A CB -1.524 17.404 19.000 -0.121 0.000 1.063 348 A HN 0.022 nan 8.150 nan 0.000 0.630 349 F N 0.646 120.529 119.950 -0.112 0.000 2.120 349 F HA -0.156 4.370 4.527 -0.001 0.000 0.300 349 F C 2.518 178.261 175.800 -0.095 0.000 1.095 349 F CA 2.042 59.947 58.000 -0.158 0.000 1.249 349 F CB -0.904 37.950 39.000 -0.243 0.000 0.995 349 F HN 0.509 nan 8.300 nan 0.000 0.480 350 T N -2.249 112.349 114.554 0.073 0.000 3.215 350 T HA 0.605 4.955 4.350 -0.001 0.000 0.271 350 T C 0.568 175.257 174.700 -0.019 0.000 1.012 350 T CA 0.114 62.214 62.100 -0.000 0.000 0.899 350 T CB -0.328 68.487 68.868 -0.089 0.000 1.089 350 T HN 0.575 nan 8.240 nan 0.000 0.552 351 G N 1.078 109.892 108.800 0.023 0.000 2.619 351 G HA2 0.013 3.973 3.960 -0.001 0.000 0.686 351 G HA3 0.013 3.973 3.960 -0.001 0.000 0.686 351 G C -1.046 173.916 174.900 0.103 0.000 1.256 351 G CA -1.039 44.095 45.100 0.057 0.000 0.826 351 G HN 0.526 nan 8.290 nan 0.000 0.619 352 L N 1.372 122.650 121.223 0.092 0.000 2.326 352 L HA 0.612 4.952 4.340 -0.001 0.000 0.278 352 L C 1.594 178.489 176.870 0.042 0.000 1.092 352 L CA 0.232 55.112 54.840 0.066 0.000 0.810 352 L CB 1.116 43.179 42.059 0.006 0.000 1.153 352 L HN 0.997 nan 8.230 nan 0.000 0.439 353 G N 1.465 110.145 108.800 -0.201 0.000 2.574 353 G HA2 0.572 4.531 3.960 -0.001 0.000 0.248 353 G HA3 0.572 4.531 3.960 -0.001 0.000 0.248 353 G C -0.365 173.941 174.900 -0.989 0.000 1.422 353 G CA -0.292 44.274 45.100 -0.891 0.000 1.051 353 G HN 0.777 nan 8.290 nan 0.000 0.560 354 A N 0.346 122.332 122.820 -1.389 0.000 2.520 354 A HA 0.432 4.751 4.320 -0.001 0.000 0.235 354 A C -1.070 176.243 177.584 -0.451 0.000 1.065 354 A CA -0.435 51.093 52.037 -0.848 0.000 0.764 354 A CB 0.307 19.129 19.000 -0.297 0.000 1.002 354 A HN 0.421 nan 8.150 nan 0.000 0.502 355 P HA 0.033 nan 4.420 nan 0.000 0.257 355 P C 0.153 177.274 177.300 -0.298 0.000 1.281 355 P CA 0.614 63.527 63.100 -0.313 0.000 0.826 355 P CB 0.018 31.560 31.700 -0.263 0.000 1.237 356 Y N -1.278 118.963 120.300 -0.100 0.000 2.184 356 Y HA 0.019 4.568 4.550 -0.001 0.000 0.290 356 Y C 0.759 176.733 175.900 0.123 0.000 1.129 356 Y CA 0.298 58.395 58.100 -0.005 0.000 1.144 356 Y CB -1.382 37.045 38.460 -0.056 0.000 0.995 356 Y HN -0.127 nan 8.280 nan 0.000 0.513 357 W N 1.757 123.191 121.300 0.222 0.000 6.357 357 W HA -0.203 4.456 4.660 -0.001 0.000 0.428 357 W C -0.548 176.087 176.519 0.194 0.000 1.724 357 W CA 0.569 58.041 57.345 0.212 0.000 1.048 357 W CB -0.990 28.577 29.460 0.178 0.000 2.943 357 W HN 0.105 nan 8.180 nan 0.000 1.407 358 D N 0.201 120.780 120.400 0.299 0.000 2.421 358 D HA 0.296 4.936 4.640 -0.001 0.000 0.254 358 D C 0.963 177.365 176.300 0.170 0.000 1.238 358 D CA 0.111 54.239 54.000 0.213 0.000 0.919 358 D CB 1.006 41.894 40.800 0.148 0.000 1.152 358 D HN -0.023 nan 8.370 nan 0.000 0.552 359 S N 2.803 118.605 115.700 0.170 0.000 2.489 359 S HA -0.068 4.402 4.470 -0.001 0.000 0.228 359 S C 1.178 175.828 174.600 0.083 0.000 0.995 359 S CA 0.340 58.612 58.200 0.121 0.000 0.934 359 S CB 0.085 63.357 63.200 0.120 0.000 0.771 359 S HN 0.381 nan 8.310 nan 0.000 0.522 360 E N 2.090 122.337 120.200 0.078 0.000 2.158 360 E HA 0.288 4.637 4.350 -0.001 0.000 0.191 360 E C 1.142 177.779 176.600 0.063 0.000 0.982 360 E CA 0.629 57.062 56.400 0.055 0.000 0.823 360 E CB -0.667 29.054 29.700 0.036 0.000 0.766 360 E HN 0.696 nan 8.360 nan 0.000 0.468 361 A N 2.198 125.056 122.820 0.064 0.000 2.466 361 A HA 0.232 4.551 4.320 -0.001 0.000 0.238 361 A C 0.359 177.990 177.584 0.078 0.000 1.074 361 A CA 0.106 52.184 52.037 0.068 0.000 0.774 361 A CB 0.368 19.377 19.000 0.015 0.000 1.015 361 A HN -0.088 nan 8.150 nan 0.000 0.498 362 R N 0.288 120.855 120.500 0.113 0.000 2.837 362 R HA 0.519 4.859 4.340 -0.001 0.000 0.271 362 R C 0.384 176.700 176.300 0.028 0.000 0.993 362 R CA -0.282 55.876 56.100 0.097 0.000 0.931 362 R CB 1.117 31.521 30.300 0.174 0.000 1.206 362 R HN 0.965 nan 8.270 nan 0.000 0.474 363 G N 0.154 108.948 108.800 -0.011 0.000 2.321 363 G HA2 0.385 4.344 3.960 -0.001 0.000 0.237 363 G HA3 0.385 4.344 3.960 -0.001 0.000 0.237 363 G C -0.602 174.254 174.900 -0.074 0.000 1.282 363 G CA 0.365 45.402 45.100 -0.105 0.000 0.886 363 G HN 0.612 nan 8.290 nan 0.000 0.528 364 A N 1.024 123.784 122.820 -0.101 0.000 2.594 364 A HA 0.808 5.127 4.320 -0.001 0.000 0.291 364 A C -0.965 176.480 177.584 -0.232 0.000 1.105 364 A CA -0.555 51.356 52.037 -0.211 0.000 0.694 364 A CB 1.937 20.795 19.000 -0.238 0.000 1.291 364 A HN 1.288 nan 8.150 nan 0.000 0.410 365 V N 0.292 119.930 119.914 -0.460 0.000 2.735 365 V HA 0.771 4.891 4.120 -0.001 0.000 0.310 365 V C -1.141 174.577 176.094 -0.627 0.000 1.061 365 V CA -0.378 61.741 62.300 -0.301 0.000 0.913 365 V CB 1.328 33.114 31.823 -0.061 0.000 1.005 365 V HN 0.766 nan 8.190 nan 0.000 0.428 366 F N 0.335 120.312 119.950 0.044 0.000 2.629 366 F HA 0.765 5.292 4.527 -0.001 0.000 0.316 366 F C 1.051 176.909 175.800 0.096 0.000 1.081 366 F CA -0.037 57.996 58.000 0.055 0.000 0.954 366 F CB 2.028 41.049 39.000 0.034 0.000 1.337 366 F HN 0.759 nan 8.300 nan 0.000 0.474 367 G N 1.258 110.231 108.800 0.288 0.000 2.160 367 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.251 367 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.251 367 G C -0.434 174.534 174.900 0.113 0.000 1.008 367 G CA -0.283 44.931 45.100 0.189 0.000 0.724 367 G HN 0.496 nan 8.290 nan 0.000 0.514 368 L N 1.431 122.711 121.223 0.095 0.000 2.360 368 L HA 0.563 4.903 4.340 -0.001 0.000 0.276 368 L C 1.245 178.148 176.870 0.056 0.000 1.121 368 L CA 0.286 55.171 54.840 0.076 0.000 0.845 368 L CB 0.946 43.051 42.059 0.077 0.000 1.143 368 L HN 0.442 nan 8.230 nan 0.000 0.452 369 T N -1.009 113.574 114.554 0.049 0.000 2.883 369 T HA 0.316 4.665 4.350 -0.001 0.000 0.284 369 T C 0.878 175.595 174.700 0.028 0.000 1.041 369 T CA -0.869 61.252 62.100 0.035 0.000 1.007 369 T CB 1.720 70.607 68.868 0.032 0.000 1.220 369 T HN 0.545 nan 8.240 nan 0.000 0.552 370 R N -0.240 120.271 120.500 0.019 0.000 2.120 370 R HA -0.009 4.330 4.340 -0.001 0.000 0.234 370 R C 2.140 178.447 176.300 0.012 0.000 1.123 370 R CA 1.622 57.729 56.100 0.012 0.000 0.975 370 R CB -1.027 29.278 30.300 0.007 0.000 0.866 370 R HN 0.868 nan 8.270 nan 0.000 0.446 371 G N 0.020 108.829 108.800 0.015 0.000 2.848 371 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.208 371 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.208 371 G C 0.134 175.046 174.900 0.020 0.000 1.152 371 G CA -0.023 45.085 45.100 0.014 0.000 0.789 371 G HN 0.205 nan 8.290 nan 0.000 0.531 372 T N 1.755 116.328 114.554 0.031 0.000 2.867 372 T HA 0.377 4.726 4.350 -0.001 0.000 0.297 372 T C 0.802 175.528 174.700 0.044 0.000 0.989 372 T CA 0.487 62.617 62.100 0.050 0.000 1.159 372 T CB 0.991 69.909 68.868 0.083 0.000 0.928 372 T HN 0.347 nan 8.240 nan 0.000 0.538 373 T N 0.035 114.617 114.554 0.046 0.000 2.938 373 T HA 0.443 4.792 4.350 -0.001 0.000 0.285 373 T C 1.350 176.081 174.700 0.051 0.000 1.028 373 T CA -1.146 60.971 62.100 0.028 0.000 1.005 373 T CB 1.663 70.539 68.868 0.014 0.000 1.157 373 T HN 0.474 nan 8.240 nan 0.000 0.550 374 K N 0.331 120.738 120.400 0.013 0.000 2.032 374 K HA -0.218 4.101 4.320 -0.001 0.000 0.209 374 K C 1.780 178.422 176.600 0.070 0.000 1.048 374 K CA 2.015 58.312 56.287 0.016 0.000 0.927 374 K CB -0.324 32.157 32.500 -0.032 0.000 0.712 374 K HN 0.653 nan 8.250 nan 0.000 0.441 375 E N 1.364 121.586 120.200 0.036 0.000 2.049 375 E HA -0.205 4.145 4.350 -0.001 0.000 0.198 375 E C 1.871 178.494 176.600 0.039 0.000 1.007 375 E CA 1.861 58.277 56.400 0.026 0.000 0.809 375 E CB -0.282 29.421 29.700 0.004 0.000 0.749 375 E HN 0.398 nan 8.360 nan 0.000 0.450 376 D N -0.361 120.068 120.400 0.048 0.000 2.106 376 D HA -0.191 4.448 4.640 -0.001 0.000 0.191 376 D C 1.891 178.232 176.300 0.069 0.000 0.997 376 D CA 0.966 54.989 54.000 0.039 0.000 0.834 376 D CB -0.425 40.403 40.800 0.047 0.000 0.956 376 D HN 0.125 nan 8.370 nan 0.000 0.448 377 F N 1.505 121.447 119.950 -0.012 0.000 2.069 377 F HA -0.237 4.289 4.527 -0.001 0.000 0.298 377 F C 2.445 178.258 175.800 0.021 0.000 1.113 377 F CA 1.100 59.108 58.000 0.013 0.000 1.214 377 F CB -0.260 38.744 39.000 0.007 0.000 0.978 377 F HN -0.228 nan 8.300 nan 0.000 0.474 378 V N 0.771 120.830 119.914 0.241 0.000 2.332 378 V HA -0.335 3.785 4.120 -0.001 0.000 0.248 378 V C 2.506 178.608 176.094 0.014 0.000 1.055 378 V CA 2.316 64.695 62.300 0.132 0.000 1.038 378 V CB -0.821 31.054 31.823 0.087 0.000 0.651 378 V HN 0.330 nan 8.190 nan 0.000 0.450 379 R N 0.448 120.931 120.500 -0.028 0.000 2.073 379 R HA -0.171 4.169 4.340 -0.001 0.000 0.234 379 R C 2.289 178.499 176.300 -0.149 0.000 1.134 379 R CA 1.793 57.826 56.100 -0.112 0.000 0.952 379 R CB -0.513 29.711 30.300 -0.127 0.000 0.850 379 R HN 0.458 nan 8.270 nan 0.000 0.433 380 A N 0.051 122.796 122.820 -0.125 0.000 1.940 380 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 380 A C 2.144 179.689 177.584 -0.064 0.000 1.176 380 A CA 2.027 53.997 52.037 -0.111 0.000 0.631 380 A CB -0.821 18.084 19.000 -0.158 0.000 0.814 380 A HN 0.515 nan 8.150 nan 0.000 0.446 381 T N 0.171 114.674 114.554 -0.085 0.000 2.777 381 T HA -0.040 4.310 4.350 -0.001 0.000 0.266 381 T C 1.801 176.507 174.700 0.010 0.000 1.040 381 T CA 1.337 63.437 62.100 0.000 0.000 1.141 381 T CB -0.294 68.628 68.868 0.089 0.000 0.868 381 T HN 0.351 nan 8.240 nan 0.000 0.444 382 L N 0.718 121.915 121.223 -0.043 0.000 2.056 382 L HA -0.075 4.265 4.340 -0.001 0.000 0.207 382 L C 2.824 179.604 176.870 -0.150 0.000 1.078 382 L CA 1.227 56.019 54.840 -0.081 0.000 0.749 382 L CB -0.455 41.532 42.059 -0.120 0.000 0.901 382 L HN 0.291 nan 8.230 nan 0.000 0.433 383 Q N -0.541 119.117 119.800 -0.237 0.000 2.364 383 Q HA -0.139 4.201 4.340 -0.001 0.000 0.207 383 Q C 2.320 178.171 176.000 -0.248 0.000 0.970 383 Q CA 0.982 56.565 55.803 -0.366 0.000 0.888 383 Q CB -0.162 28.238 28.738 -0.563 0.000 0.951 383 Q HN 0.548 nan 8.270 nan 0.000 0.469 384 A N 0.645 123.439 122.820 -0.044 0.000 1.908 384 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 384 A C 2.233 179.700 177.584 -0.195 0.000 1.181 384 A CA 1.459 53.480 52.037 -0.026 0.000 0.627 384 A CB -0.842 18.264 19.000 0.176 0.000 0.818 384 A HN 0.290 nan 8.150 nan 0.000 0.445 385 V N -0.425 119.439 119.914 -0.085 0.000 2.759 385 V HA -0.094 4.026 4.120 -0.001 0.000 0.256 385 V C 2.680 178.739 176.094 -0.058 0.000 1.080 385 V CA 1.901 64.178 62.300 -0.039 0.000 1.101 385 V CB -0.578 31.285 31.823 0.067 0.000 0.698 385 V HN 0.607 nan 8.190 nan 0.000 0.477 386 A N -1.107 121.632 122.820 -0.136 0.000 1.897 386 A HA -0.143 4.176 4.320 -0.001 0.000 0.215 386 A C 1.984 179.412 177.584 -0.261 0.000 1.181 386 A CA 1.781 53.727 52.037 -0.150 0.000 0.620 386 A CB -0.733 18.232 19.000 -0.058 0.000 0.821 386 A HN 0.597 nan 8.150 nan 0.000 0.443 387 Y N -0.295 119.786 120.300 -0.365 0.000 2.114 387 Y HA -0.199 4.350 4.550 -0.001 0.000 0.284 387 Y C 2.651 178.262 175.900 -0.481 0.000 1.143 387 Y CA 1.602 59.308 58.100 -0.657 0.000 1.135 387 Y CB -0.850 36.592 38.460 -1.697 0.000 0.980 387 Y HN 0.420 nan 8.280 nan 0.000 0.499 388 Q N -0.435 119.212 119.800 -0.254 0.000 2.226 388 Q HA -0.150 4.189 4.340 -0.001 0.000 0.204 388 Q C 2.232 178.241 176.000 0.015 0.000 0.975 388 Q CA 1.372 57.233 55.803 0.097 0.000 0.866 388 Q CB -0.077 28.764 28.738 0.170 0.000 0.915 388 Q HN 0.378 nan 8.270 nan 0.000 0.440 389 S N 0.379 116.044 115.700 -0.057 0.000 2.399 389 S HA -0.162 4.308 4.470 -0.001 0.000 0.231 389 S C 1.654 176.214 174.600 -0.067 0.000 1.022 389 S CA 1.343 59.503 58.200 -0.067 0.000 0.983 389 S CB -0.096 63.080 63.200 -0.040 0.000 0.803 389 S HN 0.338 nan 8.310 nan 0.000 0.480 390 K N 1.151 121.498 120.400 -0.089 0.000 2.062 390 K HA -0.106 4.213 4.320 -0.001 0.000 0.205 390 K C 1.399 177.968 176.600 -0.051 0.000 1.051 390 K CA 1.432 57.624 56.287 -0.158 0.000 0.941 390 K CB -0.109 32.160 32.500 -0.385 0.000 0.719 390 K HN 0.106 nan 8.250 nan 0.000 0.440 391 D N 0.403 120.870 120.400 0.110 0.000 2.133 391 D HA -0.164 4.476 4.640 -0.001 0.000 0.195 391 D C 1.938 178.251 176.300 0.022 0.000 0.997 391 D CA 1.324 55.427 54.000 0.171 0.000 0.840 391 D CB -0.107 40.851 40.800 0.263 0.000 0.947 391 D HN 0.075 nan 8.370 nan 0.000 0.452 392 V N 1.114 121.020 119.914 -0.013 0.000 2.323 392 V HA -0.161 3.959 4.120 -0.001 0.000 0.244 392 V C 2.536 178.618 176.094 -0.019 0.000 1.041 392 V CA 0.915 63.194 62.300 -0.035 0.000 1.025 392 V CB -0.253 31.534 31.823 -0.060 0.000 0.656 392 V HN 0.162 nan 8.190 nan 0.000 0.451 393 I N 0.259 120.810 120.570 -0.033 0.000 2.454 393 I HA -0.218 3.952 4.170 -0.001 0.000 0.254 393 I C 2.059 178.161 176.117 -0.025 0.000 1.156 393 I CA 1.299 62.580 61.300 -0.031 0.000 1.433 393 I CB -0.335 37.635 38.000 -0.050 0.000 1.082 393 I HN 0.338 nan 8.210 nan 0.000 0.432 394 D N 0.229 120.614 120.400 -0.025 0.000 2.137 394 D HA -0.105 4.534 4.640 -0.001 0.000 0.202 394 D C 2.207 178.512 176.300 0.007 0.000 0.970 394 D CA 1.285 55.279 54.000 -0.010 0.000 0.837 394 D CB -0.216 40.589 40.800 0.007 0.000 0.981 394 D HN 0.167 nan 8.370 nan 0.000 0.475 395 T N 0.467 115.026 114.554 0.009 0.000 2.881 395 T HA -0.090 4.260 4.350 -0.001 0.000 0.270 395 T C 1.983 176.698 174.700 0.025 0.000 1.068 395 T CA 0.820 62.929 62.100 0.016 0.000 1.131 395 T CB -0.044 68.831 68.868 0.011 0.000 0.871 395 T HN 0.174 nan 8.240 nan 0.000 0.479 396 M N 0.300 119.913 119.600 0.021 0.000 2.193 396 M HA 0.043 4.523 4.480 -0.001 0.000 0.265 396 M C 2.341 178.653 176.300 0.020 0.000 1.071 396 M CA 1.276 56.592 55.300 0.027 0.000 1.140 396 M CB -0.259 32.357 32.600 0.026 0.000 1.369 396 M HN 0.097 nan 8.290 nan 0.000 0.423 397 K N 0.641 121.048 120.400 0.011 0.000 2.032 397 K HA -0.206 4.114 4.320 -0.001 0.000 0.209 397 K C 2.070 178.678 176.600 0.013 0.000 1.048 397 K CA 1.483 57.775 56.287 0.008 0.000 0.927 397 K CB -0.196 32.305 32.500 0.000 0.000 0.712 397 K HN 0.207 nan 8.250 nan 0.000 0.441 398 K N 1.070 121.479 120.400 0.015 0.000 2.002 398 K HA -0.182 4.137 4.320 -0.001 0.000 0.209 398 K C 1.465 178.076 176.600 0.019 0.000 1.048 398 K CA 2.058 58.355 56.287 0.017 0.000 0.930 398 K CB -0.001 32.510 32.500 0.019 0.000 0.714 398 K HN -0.003 nan 8.250 nan 0.000 0.438 399 D N -0.293 120.122 120.400 0.024 0.000 2.218 399 D HA -0.105 4.534 4.640 -0.001 0.000 0.204 399 D C 1.586 177.901 176.300 0.025 0.000 0.976 399 D CA 1.476 55.493 54.000 0.028 0.000 0.853 399 D CB 0.163 40.987 40.800 0.040 0.000 0.939 399 D HN 0.348 nan 8.370 nan 0.000 0.481 400 S N -2.525 113.189 115.700 0.023 0.000 2.578 400 S HA 0.356 4.825 4.470 -0.001 0.000 0.228 400 S C 1.831 176.441 174.600 0.016 0.000 1.022 400 S CA 0.474 58.687 58.200 0.021 0.000 0.967 400 S CB 0.797 64.013 63.200 0.026 0.000 0.914 400 S HN 0.222 nan 8.310 nan 0.000 0.515 401 G N 2.025 110.833 108.800 0.014 0.000 2.284 401 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.268 401 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.268 401 G C 0.294 175.200 174.900 0.010 0.000 0.980 401 G CA 0.800 45.907 45.100 0.011 0.000 0.631 401 G HN 0.626 nan 8.290 nan 0.000 0.548 402 I N 0.829 121.406 120.570 0.013 0.000 3.381 402 I HA 0.192 4.362 4.170 -0.001 0.000 0.275 402 I C 0.347 176.469 176.117 0.008 0.000 1.252 402 I CA 0.126 61.433 61.300 0.012 0.000 1.292 402 I CB 0.179 38.188 38.000 0.016 0.000 1.396 402 I HN 0.038 nan 8.210 nan 0.000 0.637 403 D N 2.615 123.018 120.400 0.006 0.000 2.198 403 D HA 0.501 5.141 4.640 -0.001 0.000 0.247 403 D C -0.497 175.803 176.300 0.001 0.000 1.010 403 D CA -0.161 53.840 54.000 0.002 0.000 0.880 403 D CB 2.427 43.227 40.800 0.001 0.000 1.209 403 D HN 0.236 nan 8.370 nan 0.000 0.451 404 I N 3.241 123.809 120.570 -0.004 0.000 2.595 404 I HA 0.130 4.300 4.170 -0.001 0.000 0.275 404 I C -1.527 174.584 176.117 -0.010 0.000 1.092 404 I CA -1.454 59.843 61.300 -0.006 0.000 1.145 404 I CB 2.058 40.053 38.000 -0.009 0.000 1.276 404 I HN 0.110 nan 8.210 nan 0.000 0.497 405 P HA 0.036 nan 4.420 nan 0.000 0.226 405 P C 0.096 177.394 177.300 -0.004 0.000 1.161 405 P CA 0.551 63.647 63.100 -0.007 0.000 0.804 405 P CB 1.090 32.788 31.700 -0.004 0.000 0.829 406 L N -0.050 121.171 121.223 -0.003 0.000 2.388 406 L HA 0.658 4.998 4.340 -0.001 0.000 0.264 406 L C -1.573 175.299 176.870 0.002 0.000 0.998 406 L CA -1.315 53.526 54.840 0.002 0.000 0.817 406 L CB 2.158 44.218 42.059 0.002 0.000 1.338 406 L HN -0.211 nan 8.230 nan 0.000 0.414 407 L N 3.581 124.811 121.223 0.011 0.000 2.441 407 L HA 0.545 4.884 4.340 -0.001 0.000 0.270 407 L C -1.097 175.791 176.870 0.030 0.000 0.973 407 L CA -0.265 54.583 54.840 0.013 0.000 0.842 407 L CB 1.447 43.512 42.059 0.010 0.000 1.239 407 L HN 0.589 nan 8.230 nan 0.000 0.406 408 K N 3.980 124.393 120.400 0.022 0.000 2.174 408 K HA 0.724 5.043 4.320 -0.001 0.000 0.275 408 K C -0.793 175.840 176.600 0.055 0.000 1.015 408 K CA -0.566 55.740 56.287 0.032 0.000 0.933 408 K CB 1.890 34.391 32.500 0.001 0.000 1.025 408 K HN 0.542 nan 8.250 nan 0.000 0.463 409 V N -0.793 119.175 119.914 0.090 0.000 3.007 409 V HA 0.660 4.780 4.120 -0.001 0.000 0.311 409 V C -1.341 174.841 176.094 0.146 0.000 1.120 409 V CA -0.767 61.625 62.300 0.153 0.000 0.980 409 V CB 1.997 33.980 31.823 0.266 0.000 1.033 409 V HN 0.990 nan 8.190 nan 0.000 0.429 410 D N 0.597 121.107 120.400 0.184 0.000 2.946 410 D HA 0.822 5.461 4.640 -0.001 0.000 0.337 410 D C 0.132 176.552 176.300 0.200 0.000 1.332 410 D CA 0.006 54.096 54.000 0.152 0.000 0.935 410 D CB 0.814 41.669 40.800 0.091 0.000 1.440 410 D HN 2.123 nan 8.370 nan 0.000 0.540 411 G N -2.228 106.662 108.800 0.149 0.000 2.690 411 G HA2 0.359 4.318 3.960 -0.001 0.000 0.686 411 G HA3 0.359 4.318 3.960 -0.001 0.000 0.686 411 G C 0.784 175.773 174.900 0.148 0.000 1.277 411 G CA 0.204 45.401 45.100 0.161 0.000 0.799 411 G HN 1.220 nan 8.290 nan 0.000 0.613 412 G N 0.348 109.227 108.800 0.133 0.000 2.529 412 G HA2 0.146 4.105 3.960 -0.001 0.000 0.219 412 G HA3 0.146 4.105 3.960 -0.001 0.000 0.219 412 G C 2.218 177.169 174.900 0.084 0.000 1.177 412 G CA 3.070 48.231 45.100 0.102 0.000 0.773 412 G HN 2.170 nan 8.290 nan 0.000 0.573 413 A N 0.980 123.864 122.820 0.107 0.000 2.024 413 A HA 0.263 4.582 4.320 -0.001 0.000 0.220 413 A C 2.684 180.225 177.584 -0.072 0.000 1.164 413 A CA 2.053 54.112 52.037 0.036 0.000 0.643 413 A CB -0.610 18.435 19.000 0.075 0.000 0.806 413 A HN 0.970 nan 8.150 nan 0.000 0.451 414 A N -0.313 122.492 122.820 -0.026 0.000 2.225 414 A HA -0.079 4.241 4.320 -0.001 0.000 0.215 414 A C 1.903 179.445 177.584 -0.070 0.000 1.164 414 A CA 1.464 53.432 52.037 -0.116 0.000 0.710 414 A CB -0.391 18.640 19.000 0.052 0.000 0.780 414 A HN 0.614 nan 8.150 nan 0.000 0.473 415 K N 0.178 120.567 120.400 -0.018 0.000 2.097 415 K HA -0.077 4.243 4.320 -0.001 0.000 0.205 415 K C 0.693 177.288 176.600 -0.009 0.000 1.050 415 K CA 0.527 56.822 56.287 0.013 0.000 0.938 415 K CB -0.172 32.344 32.500 0.026 0.000 0.718 415 K HN 0.382 nan 8.250 nan 0.000 0.442 416 N N 2.566 121.230 118.700 -0.060 0.000 2.380 416 N HA -0.094 4.645 4.740 -0.001 0.000 0.292 416 N C -0.340 175.109 175.510 -0.102 0.000 1.302 416 N CA 0.426 53.430 53.050 -0.077 0.000 1.007 416 N CB 0.301 38.720 38.487 -0.114 0.000 1.408 416 N HN 0.063 nan 8.380 nan 0.000 0.487 417 D N 2.791 123.190 120.400 -0.001 0.000 2.126 417 D HA -0.210 4.429 4.640 -0.001 0.000 0.190 417 D C 1.780 178.091 176.300 0.018 0.000 1.001 417 D CA 1.377 55.437 54.000 0.100 0.000 0.841 417 D CB 0.096 41.013 40.800 0.195 0.000 0.949 417 D HN 0.541 nan 8.370 nan 0.000 0.446 418 L N -0.262 120.958 121.223 -0.004 0.000 2.131 418 L HA -0.123 4.216 4.340 -0.001 0.000 0.210 418 L C 2.267 179.087 176.870 -0.083 0.000 1.092 418 L CA 0.356 55.185 54.840 -0.019 0.000 0.759 418 L CB -0.318 41.722 42.059 -0.032 0.000 0.903 418 L HN 0.110 nan 8.230 nan 0.000 0.435 419 L N -0.859 120.271 121.223 -0.155 0.000 2.156 419 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 419 L C 2.386 179.102 176.870 -0.256 0.000 1.095 419 L CA 1.601 56.322 54.840 -0.198 0.000 0.770 419 L CB -0.288 41.624 42.059 -0.244 0.000 0.914 419 L HN 0.152 nan 8.230 nan 0.000 0.439 420 M N -1.210 118.128 119.600 -0.438 0.000 2.254 420 M HA -0.109 4.371 4.480 -0.001 0.000 0.265 420 M C 2.231 178.206 176.300 -0.542 0.000 1.066 420 M CA 1.196 56.085 55.300 -0.686 0.000 1.123 420 M CB -1.061 30.747 32.600 -1.319 0.000 1.388 420 M HN 0.350 nan 8.290 nan 0.000 0.425 421 Q N 0.110 119.718 119.800 -0.319 0.000 2.124 421 Q HA -0.139 4.200 4.340 -0.001 0.000 0.202 421 Q C 1.839 177.844 176.000 0.008 0.000 0.977 421 Q CA 1.584 57.387 55.803 -0.000 0.000 0.850 421 Q CB -0.528 28.297 28.738 0.146 0.000 0.901 421 Q HN 0.405 nan 8.270 nan 0.000 0.429 422 F N 0.428 120.279 119.950 -0.166 0.000 2.146 422 F HA -0.137 4.389 4.527 -0.001 0.000 0.298 422 F C 2.223 177.911 175.800 -0.186 0.000 1.096 422 F CA 1.797 59.698 58.000 -0.165 0.000 1.275 422 F CB -0.459 38.417 39.000 -0.206 0.000 1.008 422 F HN 0.175 nan 8.300 nan 0.000 0.480 423 Q N 0.868 120.572 119.800 -0.160 0.000 2.077 423 Q HA -0.180 4.160 4.340 -0.001 0.000 0.206 423 Q C 2.227 178.087 176.000 -0.232 0.000 0.989 423 Q CA 2.404 58.069 55.803 -0.231 0.000 0.853 423 Q CB -0.847 27.788 28.738 -0.171 0.000 0.907 423 Q HN 0.452 nan 8.270 nan 0.000 0.418 424 A N 0.509 123.231 122.820 -0.164 0.000 1.877 424 A HA -0.216 4.103 4.320 -0.001 0.000 0.216 424 A C 1.897 179.403 177.584 -0.130 0.000 1.186 424 A CA 1.826 53.803 52.037 -0.099 0.000 0.620 424 A CB -0.925 18.073 19.000 -0.004 0.000 0.822 424 A HN 0.513 nan 8.150 nan 0.000 0.443 425 D N 0.051 120.358 120.400 -0.155 0.000 2.104 425 D HA -0.153 4.486 4.640 -0.001 0.000 0.194 425 D C 1.916 178.072 176.300 -0.241 0.000 0.994 425 D CA 1.215 55.118 54.000 -0.163 0.000 0.830 425 D CB -0.305 40.407 40.800 -0.146 0.000 0.959 425 D HN 0.317 nan 8.370 nan 0.000 0.452 426 I N 0.789 121.107 120.570 -0.421 0.000 2.202 426 I HA -0.172 3.997 4.170 -0.001 0.000 0.242 426 I C 2.565 178.505 176.117 -0.295 0.000 1.091 426 I CA 0.744 61.796 61.300 -0.413 0.000 1.368 426 I CB -0.808 36.800 38.000 -0.655 0.000 1.058 426 I HN 0.036 nan 8.210 nan 0.000 0.410 427 L N -0.055 121.010 121.223 -0.263 0.000 2.156 427 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 427 L C 0.905 177.688 176.870 -0.146 0.000 1.095 427 L CA 0.979 55.696 54.840 -0.204 0.000 0.770 427 L CB -0.360 41.606 42.059 -0.154 0.000 0.914 427 L HN 0.294 nan 8.230 nan 0.000 0.439 428 D N -0.268 120.058 120.400 -0.124 0.000 2.981 428 D HA -0.190 4.450 4.640 -0.001 0.000 0.223 428 D C -0.334 175.933 176.300 -0.055 0.000 1.151 428 D CA 0.723 54.676 54.000 -0.080 0.000 0.827 428 D CB -0.719 40.039 40.800 -0.070 0.000 1.101 428 D HN 0.265 nan 8.370 nan 0.000 0.426 429 I N -1.991 118.546 120.570 -0.054 0.000 2.934 429 I HA 0.573 4.743 4.170 -0.001 0.000 0.306 429 I C -0.744 175.365 176.117 -0.014 0.000 1.110 429 I CA -0.682 60.599 61.300 -0.032 0.000 1.019 429 I CB 1.824 39.803 38.000 -0.035 0.000 1.227 429 I HN -0.260 nan 8.210 nan 0.000 0.434 430 D N 3.514 123.915 120.400 0.003 0.000 2.414 430 D HA 0.385 5.025 4.640 -0.001 0.000 0.242 430 D C -0.355 175.969 176.300 0.040 0.000 1.129 430 D CA 0.225 54.242 54.000 0.028 0.000 0.885 430 D CB 1.481 42.297 40.800 0.026 0.000 1.198 430 D HN 0.328 nan 8.370 nan 0.000 0.437 431 V N 2.446 122.411 119.914 0.086 0.000 2.443 431 V HA 0.218 4.337 4.120 -0.001 0.000 0.293 431 V C -0.226 175.981 176.094 0.189 0.000 1.021 431 V CA -0.724 61.632 62.300 0.094 0.000 0.848 431 V CB 1.505 33.345 31.823 0.029 0.000 0.998 431 V HN 0.408 nan 8.190 nan 0.000 0.424 432 Q N 4.764 124.645 119.800 0.136 0.000 2.368 432 Q HA 0.476 4.816 4.340 -0.001 0.000 0.263 432 Q C -0.089 175.997 176.000 0.143 0.000 1.009 432 Q CA -0.690 55.202 55.803 0.147 0.000 0.818 432 Q CB 1.171 29.952 28.738 0.072 0.000 1.239 432 Q HN 0.736 nan 8.270 nan 0.000 0.464 433 R N 2.646 123.275 120.500 0.215 0.000 2.442 433 R HA 0.372 4.712 4.340 -0.001 0.000 0.291 433 R C -0.584 175.783 176.300 0.111 0.000 1.069 433 R CA 0.153 56.357 56.100 0.173 0.000 1.022 433 R CB 0.648 31.107 30.300 0.264 0.000 0.976 433 R HN 0.718 nan 8.270 nan 0.000 0.443 434 A N 3.740 126.610 122.820 0.082 0.000 2.540 434 A HA 0.176 4.495 4.320 -0.001 0.000 0.239 434 A C 1.226 178.845 177.584 0.058 0.000 1.061 434 A CA 0.606 52.675 52.037 0.052 0.000 0.758 434 A CB 0.290 19.313 19.000 0.040 0.000 0.991 434 A HN 1.028 nan 8.150 nan 0.000 0.502 435 A N 2.312 125.158 122.820 0.043 0.000 1.969 435 A HA -0.071 4.249 4.320 -0.001 0.000 0.218 435 A C 1.321 178.939 177.584 0.057 0.000 1.169 435 A CA 1.456 53.520 52.037 0.046 0.000 0.635 435 A CB -0.232 18.789 19.000 0.035 0.000 0.810 435 A HN 0.802 nan 8.150 nan 0.000 0.445 436 N N 1.192 119.926 118.700 0.057 0.000 2.955 436 N HA 0.276 5.016 4.740 -0.001 0.000 0.242 436 N C 1.132 176.686 175.510 0.075 0.000 1.123 436 N CA -0.011 53.085 53.050 0.076 0.000 0.949 436 N CB 0.228 38.762 38.487 0.078 0.000 1.214 436 N HN 0.408 nan 8.380 nan 0.000 0.504 437 L N 0.753 122.022 121.223 0.077 0.000 2.167 437 L HA -0.270 4.070 4.340 -0.001 0.000 0.241 437 L C 0.885 177.804 176.870 0.082 0.000 1.123 437 L CA 1.645 56.532 54.840 0.078 0.000 0.849 437 L CB -1.151 40.953 42.059 0.074 0.000 0.947 437 L HN 0.354 nan 8.230 nan 0.000 0.449 438 E N 2.185 122.441 120.200 0.093 0.000 1.892 438 E HA 0.060 4.410 4.350 -0.001 0.000 0.271 438 E C 0.938 177.589 176.600 0.085 0.000 1.146 438 E CA 0.355 56.814 56.400 0.098 0.000 1.096 438 E CB 0.156 29.924 29.700 0.114 0.000 1.155 438 E HN 0.609 nan 8.360 nan 0.000 0.458 439 T N -0.551 114.028 114.554 0.042 0.000 3.113 439 T HA -0.076 4.274 4.350 -0.001 0.000 0.263 439 T C 1.302 175.984 174.700 -0.030 0.000 1.143 439 T CA 0.987 63.074 62.100 -0.023 0.000 1.090 439 T CB -0.151 68.703 68.868 -0.024 0.000 0.922 439 T HN 0.204 nan 8.240 nan 0.000 0.521 440 T N 2.044 116.613 114.554 0.024 0.000 2.732 440 T HA 0.156 4.505 4.350 -0.001 0.000 0.261 440 T C 2.492 177.209 174.700 0.030 0.000 1.040 440 T CA 1.186 63.305 62.100 0.032 0.000 1.145 440 T CB -0.786 68.115 68.868 0.055 0.000 0.866 440 T HN 0.589 nan 8.240 nan 0.000 0.427 441 A N 1.304 124.170 122.820 0.077 0.000 1.902 441 A HA -0.027 4.293 4.320 -0.001 0.000 0.217 441 A C 2.259 179.859 177.584 0.027 0.000 1.181 441 A CA 1.356 53.480 52.037 0.144 0.000 0.623 441 A CB -0.914 18.253 19.000 0.279 0.000 0.818 441 A HN 0.395 nan 8.150 nan 0.000 0.443 442 L N 0.169 121.285 121.223 -0.177 0.000 2.012 442 L HA -0.090 4.250 4.340 -0.001 0.000 0.210 442 L C 2.459 178.891 176.870 -0.730 0.000 1.073 442 L CA 2.450 56.834 54.840 -0.759 0.000 0.748 442 L CB -1.033 40.589 42.059 -0.728 0.000 0.891 442 L HN 0.322 nan 8.230 nan 0.000 0.431 443 G N -1.335 107.244 108.800 -0.370 0.000 2.450 443 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.220 443 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.220 443 G C 1.568 176.500 174.900 0.053 0.000 1.130 443 G CA 0.870 45.938 45.100 -0.053 0.000 0.760 443 G HN 0.660 nan 8.290 nan 0.000 0.557 444 A N 1.056 123.873 122.820 -0.005 0.000 1.897 444 A HA 0.369 4.689 4.320 -0.001 0.000 0.215 444 A C 2.815 180.450 177.584 0.085 0.000 1.181 444 A CA 2.013 54.074 52.037 0.039 0.000 0.620 444 A CB -0.729 18.303 19.000 0.054 0.000 0.821 444 A HN 0.742 nan 8.150 nan 0.000 0.443 445 A N -1.127 121.723 122.820 0.050 0.000 1.933 445 A HA -0.072 4.248 4.320 -0.001 0.000 0.218 445 A C 2.091 179.939 177.584 0.441 0.000 1.175 445 A CA 1.583 53.723 52.037 0.171 0.000 0.628 445 A CB -0.763 18.247 19.000 0.017 0.000 0.814 445 A HN 0.533 nan 8.150 nan 0.000 0.444 446 Y N 0.096 120.517 120.300 0.201 0.000 2.145 446 Y HA -0.127 4.422 4.550 -0.001 0.000 0.286 446 Y C 2.273 178.359 175.900 0.310 0.000 1.145 446 Y CA 0.751 58.988 58.100 0.230 0.000 1.148 446 Y CB -1.136 37.421 38.460 0.162 0.000 0.981 446 Y HN 0.194 nan 8.280 nan 0.000 0.507 447 L N -0.777 120.645 121.223 0.331 0.000 2.042 447 L HA -0.251 4.089 4.340 -0.001 0.000 0.210 447 L C 2.614 179.571 176.870 0.145 0.000 1.076 447 L CA 1.358 56.243 54.840 0.076 0.000 0.749 447 L CB -0.845 41.138 42.059 -0.126 0.000 0.893 447 L HN 0.174 nan 8.230 nan 0.000 0.432 448 A N 0.040 122.972 122.820 0.186 0.000 1.929 448 A HA -0.029 4.290 4.320 -0.001 0.000 0.216 448 A C 2.407 180.095 177.584 0.175 0.000 1.176 448 A CA 1.382 53.503 52.037 0.141 0.000 0.628 448 A CB -1.072 17.992 19.000 0.106 0.000 0.816 448 A HN 0.422 nan 8.150 nan 0.000 0.444 449 G N -0.071 108.945 108.800 0.361 0.000 2.418 449 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.217 449 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.217 449 G C 1.532 176.677 174.900 0.407 0.000 1.158 449 G CA 0.986 46.342 45.100 0.426 0.000 0.771 449 G HN 0.416 nan 8.290 nan 0.000 0.545 450 L N 0.596 122.061 121.223 0.404 0.000 2.083 450 L HA -0.042 4.298 4.340 -0.001 0.000 0.209 450 L C 3.310 180.265 176.870 0.141 0.000 1.083 450 L CA 0.969 55.962 54.840 0.256 0.000 0.752 450 L CB -0.266 41.911 42.059 0.197 0.000 0.899 450 L HN 0.315 nan 8.230 nan 0.000 0.433 451 A N -0.336 122.545 122.820 0.102 0.000 2.066 451 A HA -0.048 4.272 4.320 -0.001 0.000 0.218 451 A C 1.796 179.393 177.584 0.022 0.000 1.157 451 A CA 1.371 53.424 52.037 0.026 0.000 0.670 451 A CB -0.354 18.626 19.000 -0.033 0.000 0.804 451 A HN 0.329 nan 8.150 nan 0.000 0.453 452 V N -4.438 115.507 119.914 0.052 0.000 3.214 452 V HA 0.575 4.695 4.120 -0.001 0.000 0.330 452 V C 1.165 177.302 176.094 0.073 0.000 1.403 452 V CA 0.342 62.667 62.300 0.042 0.000 1.143 452 V CB -0.814 31.019 31.823 0.016 0.000 1.098 452 V HN 1.243 nan 8.190 nan 0.000 0.463 453 G N 0.399 109.253 108.800 0.089 0.000 2.175 453 G HA2 -0.407 3.553 3.960 -0.001 0.000 0.265 453 G HA3 -0.407 3.553 3.960 -0.001 0.000 0.265 453 G C 0.445 175.390 174.900 0.075 0.000 0.979 453 G CA 0.772 45.918 45.100 0.077 0.000 0.663 453 G HN 0.626 nan 8.290 nan 0.000 0.533 454 F N -0.090 119.784 119.950 -0.127 0.000 2.216 454 F HA 0.250 4.776 4.527 -0.001 0.000 0.300 454 F C 1.077 176.604 175.800 -0.455 0.000 1.085 454 F CA 1.091 58.878 58.000 -0.356 0.000 1.326 454 F CB 0.130 38.800 39.000 -0.550 0.000 1.027 454 F HN 0.266 nan 8.300 nan 0.000 0.497 455 W N 0.798 122.162 121.300 0.106 0.000 2.883 455 W HA 0.270 4.931 4.660 0.001 0.000 0.335 455 W C 0.974 177.482 176.519 -0.018 0.000 1.083 455 W CA -1.428 55.909 57.345 -0.014 0.000 1.233 455 W CB 1.276 30.741 29.460 0.007 0.000 1.412 455 W HN -0.272 nan 8.180 nan 0.000 0.490 456 K N 0.907 121.410 120.400 0.171 0.000 1.965 456 K HA -0.209 4.111 4.320 -0.001 0.000 0.220 456 K C 0.537 177.173 176.600 0.060 0.000 1.046 456 K CA 2.244 58.578 56.287 0.079 0.000 0.974 456 K CB 0.001 32.524 32.500 0.038 0.000 0.738 456 K HN 0.559 nan 8.250 nan 0.000 0.444 457 D N -2.052 118.358 120.400 0.016 0.000 2.837 457 D HA 0.044 4.684 4.640 -0.001 0.000 0.294 457 D C 0.830 177.058 176.300 -0.120 0.000 1.158 457 D CA -0.552 53.427 54.000 -0.035 0.000 1.073 457 D CB 0.087 40.861 40.800 -0.043 0.000 1.419 457 D HN 0.039 nan 8.370 nan 0.000 0.584 458 L N 0.357 121.459 121.223 -0.201 0.000 2.275 458 L HA 0.004 4.344 4.340 -0.001 0.000 0.215 458 L C 1.708 178.406 176.870 -0.286 0.000 1.119 458 L CA 1.270 55.885 54.840 -0.375 0.000 0.790 458 L CB -0.684 41.034 42.059 -0.569 0.000 0.919 458 L HN 0.372 nan 8.230 nan 0.000 0.443 459 D N -0.308 119.988 120.400 -0.174 0.000 2.097 459 D HA -0.218 4.421 4.640 -0.001 0.000 0.197 459 D C 1.971 178.199 176.300 -0.121 0.000 0.984 459 D CA 1.136 55.064 54.000 -0.120 0.000 0.826 459 D CB 0.119 40.873 40.800 -0.077 0.000 0.973 459 D HN 0.487 nan 8.370 nan 0.000 0.460 460 E N 0.178 120.310 120.200 -0.114 0.000 2.265 460 E HA -0.163 4.187 4.350 -0.001 0.000 0.196 460 E C 1.978 178.451 176.600 -0.212 0.000 0.996 460 E CA 0.319 56.659 56.400 -0.101 0.000 0.832 460 E CB 0.094 29.779 29.700 -0.026 0.000 0.756 460 E HN 0.038 nan 8.360 nan 0.000 0.491 461 L N 1.056 122.085 121.223 -0.323 0.000 2.095 461 L HA -0.047 4.293 4.340 -0.001 0.000 0.204 461 L C 2.030 178.690 176.870 -0.350 0.000 1.080 461 L CA 1.598 56.106 54.840 -0.553 0.000 0.759 461 L CB -0.169 41.486 42.059 -0.673 0.000 0.914 461 L HN -0.037 nan 8.230 nan 0.000 0.439 462 K N -0.857 119.431 120.400 -0.187 0.000 2.025 462 K HA -0.118 4.201 4.320 -0.001 0.000 0.207 462 K C 2.175 178.719 176.600 -0.093 0.000 1.049 462 K CA 1.408 57.641 56.287 -0.091 0.000 0.933 462 K CB -0.313 32.169 32.500 -0.030 0.000 0.714 462 K HN 0.463 nan 8.250 nan 0.000 0.438 463 S N 1.956 117.601 115.700 -0.091 0.000 2.421 463 S HA -0.224 4.245 4.470 -0.001 0.000 0.239 463 S C 1.550 176.117 174.600 -0.056 0.000 1.054 463 S CA 1.666 59.828 58.200 -0.063 0.000 1.035 463 S CB -0.702 62.465 63.200 -0.054 0.000 0.840 463 S HN 0.439 nan 8.310 nan 0.000 0.475 464 M N 0.336 119.887 119.600 -0.080 0.000 3.346 464 M HA 0.698 5.178 4.480 -0.001 0.000 0.240 464 M C -0.118 176.154 176.300 -0.046 0.000 1.190 464 M CA -0.471 54.797 55.300 -0.052 0.000 1.192 464 M CB 0.347 32.916 32.600 -0.052 0.000 1.182 464 M HN 0.199 nan 8.290 nan 0.000 0.570 465 A N 1.791 124.586 122.820 -0.043 0.000 2.478 465 A HA 0.334 4.654 4.320 -0.001 0.000 0.327 465 A C -0.281 177.292 177.584 -0.020 0.000 1.431 465 A CA -0.427 51.587 52.037 -0.039 0.000 1.014 465 A CB 0.037 19.007 19.000 -0.051 0.000 1.143 465 A HN 0.743 nan 8.150 nan 0.000 0.532 466 E N 3.298 123.494 120.200 -0.006 0.000 1.993 466 E HA 0.174 4.523 4.350 -0.001 0.000 0.271 466 E C -0.442 176.159 176.600 0.001 0.000 1.008 466 E CA -0.281 56.121 56.400 0.004 0.000 0.814 466 E CB 0.255 29.966 29.700 0.020 0.000 1.098 466 E HN 0.711 nan 8.360 nan 0.000 0.407 467 E N 2.297 122.494 120.200 -0.005 0.000 2.452 467 E HA 0.069 4.419 4.350 -0.001 0.000 0.261 467 E C 0.329 176.931 176.600 0.002 0.000 0.987 467 E CA 0.243 56.641 56.400 -0.005 0.000 0.926 467 E CB 0.910 30.604 29.700 -0.010 0.000 0.934 467 E HN 0.622 nan 8.360 nan 0.000 0.452 468 G N 1.465 110.272 108.800 0.012 0.000 2.702 468 G HA2 0.148 4.108 3.960 -0.001 0.000 0.254 468 G HA3 0.148 4.108 3.960 -0.001 0.000 0.254 468 G C -0.549 174.355 174.900 0.006 0.000 1.380 468 G CA -0.552 44.559 45.100 0.020 0.000 1.042 468 G HN 0.442 nan 8.290 nan 0.000 0.557 469 Q N 0.004 119.811 119.800 0.012 0.000 2.269 469 Q HA 0.165 4.505 4.340 -0.001 0.000 0.300 469 Q C -0.078 175.875 176.000 -0.079 0.000 1.070 469 Q CA 0.568 56.328 55.803 -0.072 0.000 0.957 469 Q CB 0.304 29.016 28.738 -0.043 0.000 1.131 469 Q HN 0.268 nan 8.270 nan 0.000 0.377 470 M N 4.300 123.762 119.600 -0.229 0.000 2.472 470 M HA 0.460 4.940 4.480 -0.001 0.000 0.331 470 M C -1.342 174.735 176.300 -0.372 0.000 1.170 470 M CA -0.450 54.770 55.300 -0.134 0.000 1.009 470 M CB 0.918 33.470 32.600 -0.081 0.000 1.672 470 M HN 0.686 nan 8.290 nan 0.000 0.453 471 F N 0.818 120.760 119.950 -0.013 0.000 2.536 471 F HA 0.423 4.949 4.527 -0.001 0.000 0.322 471 F C 0.361 176.149 175.800 -0.021 0.000 1.144 471 F CA -0.704 57.286 58.000 -0.017 0.000 0.924 471 F CB 2.082 41.069 39.000 -0.021 0.000 1.181 471 F HN 0.489 nan 8.300 nan 0.000 0.438 472 T N 0.961 115.586 114.554 0.118 0.000 2.885 472 T HA 0.627 4.977 4.350 -0.001 0.000 0.285 472 T C -2.987 171.744 174.700 0.051 0.000 1.019 472 T CA -2.966 59.172 62.100 0.063 0.000 1.010 472 T CB 1.990 70.871 68.868 0.023 0.000 1.022 472 T HN 0.097 nan 8.240 nan 0.000 0.466 473 P HA 0.140 nan 4.420 nan 0.000 0.264 473 P C 0.013 177.320 177.300 0.010 0.000 1.179 473 P CA 0.236 63.337 63.100 0.002 0.000 0.763 473 P CB 0.302 31.991 31.700 -0.018 0.000 0.806 474 E N 0.561 120.768 120.200 0.011 0.000 2.712 474 E HA 0.142 4.491 4.350 -0.001 0.000 0.221 474 E C -0.032 176.577 176.600 0.016 0.000 0.943 474 E CA -0.116 56.294 56.400 0.017 0.000 1.259 474 E CB 0.407 30.125 29.700 0.030 0.000 1.167 474 E HN 0.392 nan 8.360 nan 0.000 0.569 475 M N 3.293 122.896 119.600 0.006 0.000 2.157 475 M HA 0.338 4.818 4.480 -0.001 0.000 0.354 475 M C -2.452 173.852 176.300 0.007 0.000 1.170 475 M CA -2.058 53.248 55.300 0.010 0.000 1.060 475 M CB 0.883 33.480 32.600 -0.005 0.000 1.615 475 M HN -0.235 nan 8.290 nan 0.000 0.460 476 P HA 0.086 nan 4.420 nan 0.000 0.270 476 P C -0.182 177.130 177.300 0.020 0.000 1.223 476 P CA 0.024 63.135 63.100 0.018 0.000 0.785 476 P CB 0.515 32.229 31.700 0.023 0.000 0.923 477 A N 2.190 125.021 122.820 0.018 0.000 1.917 477 A HA -0.230 4.090 4.320 -0.001 0.000 0.219 477 A C 2.138 179.743 177.584 0.035 0.000 1.182 477 A CA 1.551 53.601 52.037 0.022 0.000 0.633 477 A CB -0.993 18.019 19.000 0.019 0.000 0.819 477 A HN 0.602 nan 8.150 nan 0.000 0.448 478 E N -0.544 119.678 120.200 0.037 0.000 2.023 478 E HA -0.234 4.115 4.350 -0.001 0.000 0.196 478 E C 2.059 178.695 176.600 0.061 0.000 1.003 478 E CA 1.558 57.985 56.400 0.045 0.000 0.809 478 E CB -0.376 29.348 29.700 0.039 0.000 0.755 478 E HN 0.816 nan 8.360 nan 0.000 0.449 479 E N 0.576 120.814 120.200 0.062 0.000 2.051 479 E HA -0.203 4.146 4.350 -0.001 0.000 0.192 479 E C 2.304 178.965 176.600 0.103 0.000 0.991 479 E CA 0.835 57.285 56.400 0.084 0.000 0.799 479 E CB -0.028 29.718 29.700 0.078 0.000 0.748 479 E HN 0.063 nan 8.360 nan 0.000 0.449 480 R N 0.682 121.226 120.500 0.072 0.000 2.094 480 R HA -0.219 4.121 4.340 -0.001 0.000 0.239 480 R C 1.706 178.080 176.300 0.124 0.000 1.137 480 R CA 2.427 58.564 56.100 0.062 0.000 0.943 480 R CB -0.303 30.002 30.300 0.008 0.000 0.850 480 R HN 0.103 nan 8.270 nan 0.000 0.433 481 D N 0.145 120.610 120.400 0.108 0.000 2.106 481 D HA -0.160 4.480 4.640 -0.001 0.000 0.191 481 D C 1.726 178.116 176.300 0.151 0.000 0.997 481 D CA 1.458 55.538 54.000 0.132 0.000 0.834 481 D CB -0.311 40.542 40.800 0.088 0.000 0.956 481 D HN 0.313 nan 8.370 nan 0.000 0.448 482 N N 0.148 118.927 118.700 0.131 0.000 2.058 482 N HA -0.098 4.642 4.740 -0.001 0.000 0.191 482 N C 2.100 177.726 175.510 0.193 0.000 1.037 482 N CA 0.574 53.702 53.050 0.131 0.000 0.848 482 N CB -0.429 38.129 38.487 0.119 0.000 1.021 482 N HN 0.222 nan 8.380 nan 0.000 0.422 483 L N -0.038 121.345 121.223 0.266 0.000 1.990 483 L HA -0.252 4.087 4.340 -0.001 0.000 0.213 483 L C 2.449 179.541 176.870 0.370 0.000 1.072 483 L CA 1.590 56.680 54.840 0.416 0.000 0.755 483 L CB -0.696 41.661 42.059 0.498 0.000 0.889 483 L HN 0.188 nan 8.230 nan 0.000 0.432 484 Y N 1.006 121.426 120.300 0.201 0.000 2.274 484 Y HA -0.270 4.279 4.550 -0.001 0.000 0.290 484 Y C 2.537 178.451 175.900 0.024 0.000 1.145 484 Y CA 1.840 59.999 58.100 0.098 0.000 1.203 484 Y CB -0.159 38.375 38.460 0.123 0.000 0.984 484 Y HN 0.213 nan 8.280 nan 0.000 0.533 485 E N -0.266 119.883 120.200 -0.086 0.000 2.150 485 E HA -0.046 4.304 4.350 -0.001 0.000 0.193 485 E C 2.429 178.851 176.600 -0.296 0.000 0.985 485 E CA 1.359 57.637 56.400 -0.204 0.000 0.814 485 E CB -0.855 28.808 29.700 -0.062 0.000 0.752 485 E HN 0.470 nan 8.360 nan 0.000 0.466 486 G N 0.918 109.575 108.800 -0.238 0.000 2.421 486 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.216 486 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.216 486 G C 1.451 175.683 174.900 -1.114 0.000 1.171 486 G CA 0.757 45.552 45.100 -0.509 0.000 0.775 486 G HN 0.472 nan 8.290 nan 0.000 0.543 487 W N 1.724 122.258 121.300 -1.276 0.000 2.317 487 W HA -0.152 4.508 4.660 -0.001 0.000 0.318 487 W C 2.287 178.355 176.519 -0.751 0.000 1.227 487 W CA 1.888 58.567 57.345 -1.109 0.000 1.269 487 W CB -0.242 28.579 29.460 -1.065 0.000 1.155 487 W HN 0.199 nan 8.180 nan 0.000 0.484 488 K N 0.123 120.096 120.400 -0.713 0.000 2.044 488 K HA -0.264 4.055 4.320 -0.001 0.000 0.210 488 K C 2.177 178.407 176.600 -0.615 0.000 1.049 488 K CA 2.213 58.125 56.287 -0.626 0.000 0.927 488 K CB -0.567 31.658 32.500 -0.458 0.000 0.713 488 K HN 0.340 nan 8.250 nan 0.000 0.443 489 Q N -0.318 119.134 119.800 -0.580 0.000 2.224 489 Q HA -0.085 4.255 4.340 -0.001 0.000 0.203 489 Q C 2.041 177.622 176.000 -0.699 0.000 0.970 489 Q CA 1.062 56.551 55.803 -0.523 0.000 0.865 489 Q CB 0.013 28.504 28.738 -0.411 0.000 0.922 489 Q HN 0.342 nan 8.270 nan 0.000 0.445 490 A N 0.150 122.434 122.820 -0.894 0.000 1.874 490 A HA -0.090 4.229 4.320 -0.001 0.000 0.214 490 A C 2.269 179.268 177.584 -0.975 0.000 1.189 490 A CA 0.930 52.315 52.037 -1.087 0.000 0.615 490 A CB -0.582 17.911 19.000 -0.845 0.000 0.830 490 A HN 0.186 nan 8.150 nan 0.000 0.443 491 V N 0.216 119.517 119.914 -1.022 0.000 2.392 491 V HA -0.272 3.847 4.120 -0.001 0.000 0.249 491 V C 3.039 178.754 176.094 -0.632 0.000 1.059 491 V CA 1.931 63.674 62.300 -0.928 0.000 1.051 491 V CB -1.276 29.822 31.823 -1.209 0.000 0.658 491 V HN 0.612 nan 8.190 nan 0.000 0.455 492 A N 0.160 122.649 122.820 -0.551 0.000 1.865 492 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 492 A C 2.471 179.870 177.584 -0.309 0.000 1.191 492 A CA 2.270 54.093 52.037 -0.357 0.000 0.623 492 A CB -0.961 17.857 19.000 -0.304 0.000 0.826 492 A HN 0.584 nan 8.150 nan 0.000 0.444 493 A N -1.081 121.480 122.820 -0.431 0.000 1.908 493 A HA -0.128 4.191 4.320 -0.001 0.000 0.218 493 A C 2.295 179.832 177.584 -0.078 0.000 1.181 493 A CA 2.432 54.272 52.037 -0.329 0.000 0.627 493 A CB -1.392 17.172 19.000 -0.726 0.000 0.818 493 A HN 0.457 nan 8.150 nan 0.000 0.445 494 T N 0.224 114.704 114.554 -0.123 0.000 2.788 494 T HA -0.179 4.170 4.350 -0.001 0.000 0.268 494 T C 1.934 176.659 174.700 0.042 0.000 1.044 494 T CA 1.713 63.859 62.100 0.078 0.000 1.139 494 T CB -0.282 68.560 68.868 -0.042 0.000 0.867 494 T HN 0.648 nan 8.240 nan 0.000 0.454 495 Q N 0.558 120.312 119.800 -0.076 0.000 2.369 495 Q HA -0.063 4.277 4.340 -0.001 0.000 0.206 495 Q C 2.618 178.628 176.000 0.016 0.000 0.963 495 Q CA 1.439 57.218 55.803 -0.040 0.000 0.894 495 Q CB -0.337 28.347 28.738 -0.091 0.000 0.965 495 Q HN 0.695 nan 8.270 nan 0.000 0.475 496 T N -2.082 112.493 114.554 0.035 0.000 3.055 496 T HA -0.074 4.276 4.350 -0.001 0.000 0.265 496 T C 0.380 175.148 174.700 0.113 0.000 1.111 496 T CA -0.051 62.082 62.100 0.055 0.000 1.118 496 T CB -0.151 68.746 68.868 0.049 0.000 0.909 496 T HN 0.087 nan 8.240 nan 0.000 0.501 497 F N 2.688 122.659 119.950 0.036 0.000 2.404 497 F HA 0.487 5.014 4.527 -0.001 0.000 0.359 497 F C 0.354 176.196 175.800 0.070 0.000 1.134 497 F CA -1.017 57.021 58.000 0.063 0.000 1.160 497 F CB 0.520 39.562 39.000 0.071 0.000 1.186 497 F HN -0.151 nan 8.300 nan 0.000 0.526 498 K N 7.586 127.708 120.400 -0.462 0.000 3.209 498 K HA 0.052 4.371 4.320 -0.001 0.000 0.202 498 K C -0.574 175.819 176.600 -0.345 0.000 1.109 498 K CA -0.435 55.668 56.287 -0.307 0.000 0.968 498 K CB 0.016 32.440 32.500 -0.127 0.000 0.732 498 K HN 0.526 nan 8.250 nan 0.000 0.450 499 F N 2.831 122.307 119.950 -0.790 0.000 2.629 499 F HA 0.222 4.748 4.527 -0.001 0.000 0.369 499 F C 0.142 175.811 175.800 -0.218 0.000 1.125 499 F CA 0.490 58.212 58.000 -0.463 0.000 1.330 499 F CB 0.384 39.101 39.000 -0.471 0.000 1.071 499 F HN 0.171 nan 8.300 nan 0.000 0.595 500 K N 4.583 124.382 120.400 -1.002 0.000 2.542 500 K HA 0.823 5.143 4.320 -0.001 0.000 0.259 500 K C -0.128 175.985 176.600 -0.811 0.000 0.932 500 K CA -0.473 55.336 56.287 -0.797 0.000 0.820 500 K CB 0.682 32.970 32.500 -0.353 0.000 1.345 500 K HN 2.292 nan 8.250 nan 0.000 0.432 501 A N 0.000 122.480 122.820 -0.566 0.000 2.254 501 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 501 A CA 0.000 51.856 52.037 -0.301 0.000 0.836 501 A CB 0.000 18.898 19.000 -0.169 0.000 0.831 501 A HN 0.000 nan 8.150 nan 0.000 0.486