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 1qru_1_A DATA FIRST_RESID 8 DATA SEQUENCE TNFIRQIIDE DLASGKHTTV HTRFPPEPNG YLHIGHAKSI CLNFGIAQDY DATA SEQUENCE KGQCNLRFDD TNPVKEDIEY VESIKNDVEW LGFHWSGNVR YSSDYFDQLH DATA SEQUENCE AYAIELINKG LAYVDELTPE QTREYRGTLT QPGKNSPYRD RSVEENLALF DATA SEQUENCE EKMRAGGFEE GKACLRAKID MASPFIVMRD PVLYRIKFAE HHQTGNKWCI DATA SEQUENCE YPMYDFTHCI SDALEGITHS LCTLEFQDNR RLYDWVLDNI TIPVHPRQYE DATA SEQUENCE FSRLNLEYTV MSKRKLNLLV TDKHVEGWDD PRMPTISGLR RRGYTAASIR DATA SEQUENCE EFCKRIGVTK QDNTIEMASL ESCIREDLNE NAPRAMAVID PVKLVIENYQ DATA SEQUENCE GEGEMVTMPN HPNKPEMGSR QVPFSGEIWI DRADFREEAN KQYKRLVLGK DATA SEQUENCE EVRLRNAYVI KAERVEKDAE GNITTIFCTY DADTLXXXXX XXXXXXGVIH DATA SEQUENCE WVSAAHALPV EIRLYDRLFS VPNPGAADDF LSVINPESLV IKQGFAEPSL DATA SEQUENCE KDAVAGKAFQ FEREGYFCLD SRHSTAEKPV FNRTVGLRDT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.701 174.700 0.002 0.000 1.109 8 T CA 0.000 62.096 62.100 -0.007 0.000 1.349 8 T CB 0.000 68.868 68.868 0.000 0.000 0.612 9 N N 1.327 120.022 118.700 -0.009 0.000 3.102 9 N HA 0.451 nan 4.740 nan 0.000 0.299 9 N C 0.243 175.780 175.510 0.044 0.000 1.482 9 N CA -1.029 52.042 53.050 0.036 0.000 0.785 9 N CB 1.879 40.366 38.487 -0.000 0.000 1.680 9 N HN -0.282 8.077 8.380 -0.036 0.000 0.594 10 F N -2.981 116.945 119.950 -0.040 0.000 2.216 10 F HA -0.115 nan 4.527 nan 0.000 0.300 10 F C 1.317 177.059 175.800 -0.098 0.000 1.085 10 F CA 2.055 60.027 58.000 -0.047 0.000 1.326 10 F CB -0.052 38.939 39.000 -0.015 0.000 1.027 10 F HN 0.297 8.905 8.300 0.512 0.000 0.497 11 I N 0.669 120.674 120.570 -0.941 0.000 2.394 11 I HA -0.535 nan 4.170 nan 0.000 0.251 11 I C 1.982 177.797 176.117 -0.504 0.000 1.136 11 I CA 3.421 64.201 61.300 -0.867 0.000 1.425 11 I CB -0.578 36.897 38.000 -0.874 0.000 1.079 11 I HN -0.718 7.000 8.210 -0.968 -0.089 0.425 12 R N -1.170 119.136 120.500 -0.323 0.000 2.193 12 R HA -0.260 nan 4.340 nan 0.000 0.213 12 R C 2.532 178.762 176.300 -0.116 0.000 1.055 12 R CA 3.564 59.551 56.100 -0.188 0.000 0.995 12 R CB -0.396 29.876 30.300 -0.047 0.000 0.893 12 R HN -0.184 8.153 8.270 -0.296 -0.244 0.459 13 Q N 0.351 120.091 119.800 -0.099 0.000 2.172 13 Q HA -0.240 nan 4.340 nan 0.000 0.200 13 Q C 2.431 178.388 176.000 -0.072 0.000 0.964 13 Q CA 3.222 59.000 55.803 -0.042 0.000 0.855 13 Q CB -0.172 28.567 28.738 0.003 0.000 0.918 13 Q HN -0.467 7.616 8.270 -0.113 0.120 0.444 14 I N 0.873 121.349 120.570 -0.157 0.000 2.202 14 I HA -0.481 nan 4.170 nan 0.000 0.242 14 I C 1.636 177.660 176.117 -0.156 0.000 1.091 14 I CA 4.267 65.456 61.300 -0.185 0.000 1.368 14 I CB 0.039 37.783 38.000 -0.427 0.000 1.058 14 I HN -0.574 7.418 8.210 -0.207 0.093 0.410 15 I N 0.232 120.631 120.570 -0.285 0.000 2.226 15 I HA -0.660 nan 4.170 nan 0.000 0.245 15 I C 1.581 177.625 176.117 -0.121 0.000 1.100 15 I CA 4.595 65.692 61.300 -0.339 0.000 1.374 15 I CB -0.548 37.018 38.000 -0.724 0.000 1.057 15 I HN -0.306 7.624 8.210 -0.361 0.064 0.413 16 D N 0.045 120.423 120.400 -0.038 0.000 2.097 16 D HA -0.317 nan 4.640 nan 0.000 0.195 16 D C 2.649 178.976 176.300 0.045 0.000 0.989 16 D CA 3.815 57.853 54.000 0.063 0.000 0.827 16 D CB -0.722 40.118 40.800 0.067 0.000 0.966 16 D HN 0.038 8.261 8.370 -0.068 0.107 0.456 17 E N -0.033 120.182 120.200 0.024 0.000 2.058 17 E HA -0.407 nan 4.350 nan 0.000 0.194 17 E C 2.425 179.057 176.600 0.053 0.000 0.997 17 E CA 3.146 59.566 56.400 0.033 0.000 0.801 17 E CB -0.107 29.608 29.700 0.026 0.000 0.746 17 E HN -0.231 8.130 8.360 0.001 0.000 0.450 18 D N 0.261 120.710 120.400 0.083 0.000 2.123 18 D HA -0.260 nan 4.640 nan 0.000 0.196 18 D C 2.457 178.833 176.300 0.127 0.000 0.992 18 D CA 3.374 57.462 54.000 0.145 0.000 0.833 18 D CB -0.395 40.618 40.800 0.354 0.000 0.954 18 D HN -0.071 8.269 8.370 0.066 0.070 0.455 19 L N -1.264 120.029 121.223 0.117 0.000 1.994 19 L HA -0.297 nan 4.340 nan 0.000 0.208 19 L C 2.742 179.656 176.870 0.074 0.000 1.071 19 L CA 2.956 57.862 54.840 0.110 0.000 0.745 19 L CB -0.840 41.291 42.059 0.120 0.000 0.892 19 L HN -0.084 8.204 8.230 0.096 0.000 0.431 20 A N -0.640 122.216 122.820 0.060 0.000 1.851 20 A HA -0.295 nan 4.320 nan 0.000 0.216 20 A C 1.867 179.468 177.584 0.028 0.000 1.195 20 A CA 2.876 54.937 52.037 0.040 0.000 0.622 20 A CB -0.559 18.461 19.000 0.034 0.000 0.831 20 A HN 0.127 8.315 8.150 0.065 0.000 0.444 21 S N -2.153 113.562 115.700 0.025 0.000 2.493 21 S HA -0.200 nan 4.470 nan 0.000 0.243 21 S C 1.022 175.621 174.600 -0.001 0.000 0.991 21 S CA 0.547 58.753 58.200 0.009 0.000 0.957 21 S CB 0.507 63.710 63.200 0.005 0.000 0.756 21 S HN 0.053 8.382 8.310 0.032 0.000 0.521 22 G N 1.314 110.119 108.800 0.009 0.000 2.143 22 G HA2 -0.396 nan 3.960 nan 0.000 0.248 22 G HA3 -0.396 nan 3.960 nan 0.000 0.248 22 G C 0.145 175.021 174.900 -0.040 0.000 0.991 22 G CA 0.221 45.321 45.100 0.000 0.000 0.689 22 G HN -0.473 7.625 8.290 0.026 0.207 0.522 23 K N -0.126 120.230 120.400 -0.072 0.000 2.097 23 K HA -0.202 nan 4.320 nan 0.000 0.205 23 K C -0.223 176.142 176.600 -0.391 0.000 1.050 23 K CA 1.874 58.023 56.287 -0.231 0.000 0.938 23 K CB 0.896 33.245 32.500 -0.252 0.000 0.718 23 K HN -0.167 8.027 8.250 -0.029 0.039 0.442 24 H N -4.803 114.288 119.070 0.035 0.000 2.908 24 H HA 0.213 nan 4.556 nan 0.000 0.350 24 H C -1.192 174.163 175.328 0.044 0.000 1.217 24 H CA -0.850 55.224 56.048 0.043 0.000 1.168 24 H CB 3.122 32.929 29.762 0.075 0.000 1.891 24 H HN -0.678 7.625 8.280 0.050 0.007 0.566 25 T N -5.489 109.185 114.554 0.201 0.000 2.989 25 T HA 0.104 nan 4.350 nan 0.000 0.250 25 T C -0.106 174.658 174.700 0.107 0.000 0.981 25 T CA 0.329 62.501 62.100 0.120 0.000 0.980 25 T CB 0.797 69.714 68.868 0.083 0.000 1.133 25 T HN -0.020 8.362 8.240 0.236 0.000 0.489 26 T N 4.879 119.497 114.554 0.106 0.000 2.907 26 T HA 0.264 nan 4.350 nan 0.000 0.292 26 T C -1.564 173.150 174.700 0.022 0.000 1.043 26 T CA -0.861 61.275 62.100 0.060 0.000 1.003 26 T CB 2.275 71.169 68.868 0.043 0.000 1.084 26 T HN -0.333 7.988 8.240 0.135 0.000 0.483 27 V N -0.458 119.445 119.914 -0.019 0.000 2.483 27 V HA 0.569 nan 4.120 nan 0.000 0.295 27 V C -2.110 173.976 176.094 -0.013 0.000 1.035 27 V CA -2.924 59.334 62.300 -0.070 0.000 0.896 27 V CB 1.562 33.242 31.823 -0.238 0.000 0.986 27 V HN 0.349 8.536 8.190 -0.004 0.000 0.447 28 H N 7.300 126.325 119.070 -0.074 0.000 2.970 28 H HA 0.580 nan 4.556 nan 0.000 0.315 28 H C -0.929 174.360 175.328 -0.065 0.000 0.992 28 H CA -1.585 54.425 56.048 -0.063 0.000 1.363 28 H CB 2.757 32.489 29.762 -0.050 0.000 1.532 28 H HN 0.580 8.914 8.280 0.090 0.000 0.514 29 T N 3.321 117.966 114.554 0.152 0.000 2.922 29 T HA 0.709 nan 4.350 nan 0.000 0.281 29 T C -1.918 172.778 174.700 -0.006 0.000 1.005 29 T CA -2.550 59.565 62.100 0.024 0.000 0.982 29 T CB 2.571 71.390 68.868 -0.082 0.000 1.158 29 T HN 0.683 8.981 8.240 0.097 0.000 0.566 30 R N -0.625 119.824 120.500 -0.085 0.000 2.663 30 R HA 0.620 nan 4.340 nan 0.000 0.267 30 R C -2.578 173.669 176.300 -0.089 0.000 1.038 30 R CA -0.578 55.442 56.100 -0.134 0.000 0.886 30 R CB 3.457 33.684 30.300 -0.123 0.000 1.249 30 R HN -0.133 8.105 8.270 -0.055 0.000 0.463 31 F N 1.822 121.587 119.950 -0.308 0.000 2.467 31 F HA 0.530 nan 4.527 nan 0.000 0.336 31 F C -2.939 172.749 175.800 -0.187 0.000 1.123 31 F CA -3.718 54.165 58.000 -0.196 0.000 0.964 31 F CB 3.384 42.306 39.000 -0.130 0.000 1.136 31 F HN 0.317 8.528 8.300 -0.148 0.000 0.447 32 P HA 0.424 nan 4.420 nan 0.000 0.181 32 P C -2.579 174.342 177.300 -0.633 0.000 1.874 32 P CA -2.681 60.079 63.100 -0.565 0.000 1.310 32 P CB -0.413 31.200 31.700 -0.145 0.000 1.629 33 P HA -0.018 nan 4.420 nan 0.000 0.281 33 P C -1.173 175.961 177.300 -0.277 0.000 1.249 33 P CA -1.010 61.722 63.100 -0.613 0.000 0.810 33 P CB 1.212 32.471 31.700 -0.735 0.000 1.008 34 E N 0.648 120.767 120.200 -0.135 0.000 2.343 34 E HA 0.265 nan 4.350 nan 0.000 0.269 34 E C -1.102 175.492 176.600 -0.009 0.000 1.047 34 E CA -3.249 53.150 56.400 -0.001 0.000 0.874 34 E CB 1.457 31.168 29.700 0.018 0.000 1.033 34 E HN 0.298 8.568 8.360 -0.150 0.000 0.409 35 P HA 0.200 nan 4.420 nan 0.000 0.219 35 P C -1.943 175.317 177.300 -0.067 0.000 1.847 35 P CA -0.873 62.229 63.100 0.003 0.000 1.059 35 P CB -1.232 30.439 31.700 -0.049 0.000 1.900 36 N N 0.599 119.125 118.700 -0.290 0.000 2.365 36 N HA 0.037 nan 4.740 nan 0.000 0.257 36 N C -1.366 173.587 175.510 -0.928 0.000 1.287 36 N CA -0.577 52.218 53.050 -0.425 0.000 0.882 36 N CB 0.969 39.379 38.487 -0.127 0.000 1.250 36 N HN -0.106 8.065 8.380 -0.265 0.050 0.507 37 G N -1.487 106.403 108.800 -1.517 0.000 2.328 37 G HA2 -0.138 nan 3.960 nan 0.000 0.299 37 G HA3 -0.138 nan 3.960 nan 0.000 0.299 37 G C -2.504 171.880 174.900 -0.859 0.000 1.435 37 G CA 0.192 44.456 45.100 -1.394 0.000 0.865 37 G HN -0.813 6.611 8.290 -1.347 0.058 0.601 38 Y N -1.803 117.837 120.300 -1.099 0.000 2.300 38 Y HA 0.148 nan 4.550 nan 0.000 0.328 38 Y C 0.079 175.874 175.900 -0.175 0.000 1.270 38 Y CA -0.942 56.884 58.100 -0.456 0.000 1.352 38 Y CB 0.876 39.155 38.460 -0.301 0.000 1.286 38 Y HN 0.000 7.383 8.280 -1.495 0.000 0.536 39 L N -0.169 121.077 121.223 0.039 0.000 2.452 39 L HA 0.115 nan 4.340 nan 0.000 0.267 39 L C -0.653 176.414 176.870 0.328 0.000 1.188 39 L CA 0.305 55.191 54.840 0.076 0.000 0.821 39 L CB 0.476 42.567 42.059 0.053 0.000 1.102 39 L HN 0.615 8.840 8.230 -0.008 0.000 0.470 40 H N -0.626 118.780 119.070 0.561 0.000 2.907 40 H HA 0.486 nan 4.556 nan 0.000 0.361 40 H C 0.439 175.897 175.328 0.216 0.000 1.194 40 H CA -2.297 53.931 56.048 0.301 0.000 1.152 40 H CB 1.995 31.892 29.762 0.225 0.000 1.867 40 H HN 0.218 8.852 8.280 0.589 0.000 0.561 41 I N 0.227 121.027 120.570 0.382 0.000 2.300 41 I HA -0.532 nan 4.170 nan 0.000 0.252 41 I C 1.105 177.422 176.117 0.333 0.000 1.119 41 I CA 2.274 63.744 61.300 0.284 0.000 1.384 41 I CB 0.306 38.400 38.000 0.156 0.000 1.062 41 I HN 0.220 8.613 8.210 0.306 0.000 0.426 42 G N -3.396 105.671 108.800 0.444 0.000 2.421 42 G HA2 -0.303 nan 3.960 nan 0.000 0.216 42 G HA3 -0.303 nan 3.960 nan 0.000 0.216 42 G C 1.502 176.543 174.900 0.236 0.000 1.171 42 G CA 2.124 47.407 45.100 0.305 0.000 0.775 42 G HN -0.291 8.312 8.290 0.549 0.017 0.543 43 H N 3.264 122.507 119.070 0.287 0.000 2.422 43 H HA -0.337 nan 4.556 nan 0.000 0.298 43 H C 1.882 177.258 175.328 0.080 0.000 1.098 43 H CA 3.167 59.305 56.048 0.150 0.000 1.315 43 H CB -0.164 29.640 29.762 0.069 0.000 1.382 43 H HN -0.605 7.640 8.280 0.059 0.071 0.523 44 A N -1.884 121.066 122.820 0.217 0.000 2.024 44 A HA -0.318 nan 4.320 nan 0.000 0.220 44 A C 1.306 178.935 177.584 0.076 0.000 1.164 44 A CA 3.125 55.239 52.037 0.128 0.000 0.643 44 A CB -0.938 18.183 19.000 0.203 0.000 0.806 44 A HN -0.011 8.188 8.150 0.280 0.118 0.451 45 K N -2.217 118.251 120.400 0.114 0.000 2.057 45 K HA -0.289 nan 4.320 nan 0.000 0.206 45 K C 1.863 178.472 176.600 0.015 0.000 1.050 45 K CA 3.356 59.678 56.287 0.057 0.000 0.935 45 K CB -0.236 32.325 32.500 0.102 0.000 0.715 45 K HN 0.072 8.275 8.250 0.170 0.149 0.439 46 S N -0.044 115.727 115.700 0.118 0.000 2.368 46 S HA -0.218 nan 4.470 nan 0.000 0.224 46 S C 2.091 176.640 174.600 -0.086 0.000 1.029 46 S CA 2.974 61.262 58.200 0.146 0.000 0.988 46 S CB -0.288 63.173 63.200 0.435 0.000 0.838 46 S HN -0.650 7.691 8.310 0.189 0.083 0.462 47 I N 2.716 123.106 120.570 -0.299 0.000 2.127 47 I HA -0.552 nan 4.170 nan 0.000 0.241 47 I C 1.527 177.416 176.117 -0.380 0.000 1.075 47 I CA 4.254 65.279 61.300 -0.457 0.000 1.334 47 I CB -0.030 37.624 38.000 -0.577 0.000 1.040 47 I HN 0.168 8.239 8.210 -0.231 0.000 0.405 48 C N -1.495 117.621 119.300 -0.306 0.000 2.422 48 C HA -0.295 nan 4.460 nan 0.000 0.279 48 C C 2.563 177.416 174.990 -0.229 0.000 1.305 48 C CA 4.232 63.087 59.018 -0.271 0.000 1.757 48 C CB -1.922 25.809 27.740 -0.015 0.000 1.962 48 C HN -0.106 8.017 8.230 -0.178 0.000 0.499 49 L N 0.324 121.414 121.223 -0.221 0.000 2.023 49 L HA -0.383 nan 4.340 nan 0.000 0.205 49 L C 1.687 178.423 176.870 -0.224 0.000 1.073 49 L CA 3.408 58.097 54.840 -0.251 0.000 0.745 49 L CB -0.194 41.626 42.059 -0.398 0.000 0.900 49 L HN -0.363 7.632 8.230 -0.207 0.111 0.435 50 N N -0.333 118.241 118.700 -0.211 0.000 2.080 50 N HA -0.294 nan 4.740 nan 0.000 0.189 50 N C 2.903 178.238 175.510 -0.291 0.000 1.036 50 N CA 3.735 56.645 53.050 -0.235 0.000 0.846 50 N CB 0.151 38.508 38.487 -0.216 0.000 1.015 50 N HN 0.106 8.372 8.380 -0.189 0.000 0.423 51 F N -1.472 118.261 119.950 -0.361 0.000 2.259 51 F HA -0.102 nan 4.527 nan 0.000 0.298 51 F C 1.532 177.194 175.800 -0.231 0.000 1.088 51 F CA 3.573 61.360 58.000 -0.356 0.000 1.358 51 F CB -0.412 38.164 39.000 -0.706 0.000 1.040 51 F HN 0.467 8.684 8.300 -0.138 0.000 0.505 52 G N -0.106 108.643 108.800 -0.086 0.000 2.404 52 G HA2 -0.339 nan 3.960 nan 0.000 0.215 52 G HA3 -0.339 nan 3.960 nan 0.000 0.215 52 G C 0.982 175.920 174.900 0.062 0.000 1.174 52 G CA 2.066 47.197 45.100 0.051 0.000 0.780 52 G HN -0.341 7.710 8.290 -0.207 0.115 0.537 53 I N 2.259 122.831 120.570 0.003 0.000 2.208 53 I HA -0.545 nan 4.170 nan 0.000 0.245 53 I C 1.496 177.683 176.117 0.117 0.000 1.097 53 I CA 3.567 64.901 61.300 0.057 0.000 1.363 53 I CB -0.308 37.606 38.000 -0.143 0.000 1.051 53 I HN -0.368 7.800 8.210 -0.070 0.000 0.413 54 A N -0.925 121.909 122.820 0.023 0.000 1.841 54 A HA -0.387 nan 4.320 nan 0.000 0.216 54 A C 2.194 179.833 177.584 0.090 0.000 1.199 54 A CA 3.375 55.429 52.037 0.030 0.000 0.621 54 A CB -0.956 18.041 19.000 -0.005 0.000 0.835 54 A HN -0.556 7.573 8.150 -0.028 0.004 0.445 55 Q N -2.358 117.511 119.800 0.114 0.000 2.170 55 Q HA -0.312 nan 4.340 nan 0.000 0.203 55 Q C 2.746 178.788 176.000 0.069 0.000 0.976 55 Q CA 2.706 58.571 55.803 0.103 0.000 0.858 55 Q CB -0.438 28.381 28.738 0.134 0.000 0.907 55 Q HN -0.302 8.049 8.270 0.135 0.000 0.433 56 D N 2.229 122.678 120.400 0.082 0.000 2.117 56 D HA -0.185 nan 4.640 nan 0.000 0.198 56 D C 1.309 177.537 176.300 -0.120 0.000 0.982 56 D CA 2.998 56.983 54.000 -0.025 0.000 0.828 56 D CB 0.175 40.951 40.800 -0.039 0.000 0.967 56 D HN 0.090 8.438 8.370 0.121 0.094 0.464 57 Y N -4.374 115.901 120.300 -0.042 0.000 2.470 57 Y HA 0.043 nan 4.550 nan 0.000 0.284 57 Y C -1.410 174.470 175.900 -0.034 0.000 1.188 57 Y CA -1.141 56.932 58.100 -0.044 0.000 1.269 57 Y CB -0.263 38.158 38.460 -0.065 0.000 1.094 57 Y HN -0.331 8.161 8.280 0.353 0.000 0.518 58 K N -2.385 118.063 120.400 0.080 0.000 3.689 58 K HA -0.364 nan 4.320 nan 0.000 0.276 58 K C -0.475 176.149 176.600 0.040 0.000 0.932 58 K CA 0.821 57.134 56.287 0.044 0.000 0.758 58 K CB -2.659 29.855 32.500 0.022 0.000 1.500 58 K HN -0.569 7.513 8.250 0.066 0.207 0.448 59 G N -3.033 105.783 108.800 0.027 0.000 3.176 59 G HA2 0.579 nan 3.960 nan 0.000 0.272 59 G HA3 0.579 nan 3.960 nan 0.000 0.272 59 G C -1.743 173.094 174.900 -0.106 0.000 1.349 59 G CA -0.471 44.605 45.100 -0.038 0.000 0.953 59 G HN 0.105 8.299 8.290 0.044 0.122 0.559 60 Q N -1.731 117.905 119.800 -0.273 0.000 2.297 60 Q HA 0.394 nan 4.340 nan 0.000 0.268 60 Q C -1.530 174.302 176.000 -0.280 0.000 1.045 60 Q CA -2.224 53.353 55.803 -0.376 0.000 0.861 60 Q CB 3.817 32.066 28.738 -0.814 0.000 1.344 60 Q HN -0.084 7.992 8.270 -0.324 0.000 0.452 61 C N 1.289 120.527 119.300 -0.104 0.000 2.505 61 C HA 0.400 nan 4.460 nan 0.000 0.342 61 C C -1.535 173.448 174.990 -0.013 0.000 1.121 61 C CA -1.525 57.427 59.018 -0.110 0.000 1.306 61 C CB 1.691 29.199 27.740 -0.388 0.000 1.897 61 C HN 0.475 8.685 8.230 -0.033 0.000 0.446 62 N N 7.077 125.807 118.700 0.051 0.000 2.515 62 N HA 0.391 nan 4.740 nan 0.000 0.279 62 N C -2.085 173.379 175.510 -0.077 0.000 1.164 62 N CA -0.411 52.684 53.050 0.075 0.000 0.982 62 N CB 1.732 40.257 38.487 0.063 0.000 1.170 62 N HN 0.146 8.568 8.380 0.071 0.000 0.474 63 L N 1.599 122.744 121.223 -0.130 0.000 2.280 63 L HA 0.499 nan 4.340 nan 0.000 0.287 63 L C -2.238 174.341 176.870 -0.484 0.000 1.023 63 L CA -0.816 53.793 54.840 -0.385 0.000 0.819 63 L CB 2.060 43.596 42.059 -0.873 0.000 1.212 63 L HN 0.492 8.691 8.230 -0.052 0.000 0.420 64 R N 6.888 127.077 120.500 -0.518 0.000 2.476 64 R HA 0.421 nan 4.340 nan 0.000 0.305 64 R C -1.134 174.822 176.300 -0.573 0.000 0.965 64 R CA -1.582 54.249 56.100 -0.448 0.000 0.867 64 R CB 2.999 33.150 30.300 -0.249 0.000 1.176 64 R HN 0.255 8.227 8.270 -0.497 0.000 0.447 65 F N 6.744 126.427 119.950 -0.446 0.000 2.434 65 F HA -0.075 nan 4.527 nan 0.000 0.358 65 F C -0.275 175.438 175.800 -0.145 0.000 1.136 65 F CA -0.083 57.708 58.000 -0.349 0.000 1.157 65 F CB 0.452 39.167 39.000 -0.475 0.000 1.167 65 F HN 0.831 8.748 8.300 -0.477 0.097 0.539 66 D N 7.396 127.814 120.400 0.029 0.000 2.489 66 D HA -0.101 nan 4.640 nan 0.000 0.237 66 D C -0.518 175.901 176.300 0.198 0.000 1.212 66 D CA 0.085 54.153 54.000 0.113 0.000 1.058 66 D CB -0.485 40.394 40.800 0.132 0.000 1.098 66 D HN -0.208 8.120 8.370 -0.071 0.000 0.509 67 D N 3.129 123.684 120.400 0.260 0.000 2.781 67 D HA 0.165 nan 4.640 nan 0.000 0.254 67 D C 0.367 176.918 176.300 0.419 0.000 1.213 67 D CA -1.423 52.790 54.000 0.355 0.000 0.994 67 D CB -1.748 39.321 40.800 0.449 0.000 1.019 67 D HN -0.207 8.266 8.370 0.228 0.034 0.514 68 T N -5.090 109.659 114.554 0.324 0.000 3.037 68 T HA -0.018 nan 4.350 nan 0.000 0.251 68 T C 0.394 175.208 174.700 0.190 0.000 1.079 68 T CA 0.508 62.804 62.100 0.326 0.000 1.067 68 T CB 0.033 69.049 68.868 0.247 0.000 0.948 68 T HN -0.379 7.967 8.240 0.261 0.051 0.496 69 N N 2.124 120.902 118.700 0.130 0.000 2.706 69 N HA 0.574 nan 4.740 nan 0.000 0.240 69 N C -0.951 174.546 175.510 -0.022 0.000 1.039 69 N CA -3.472 49.588 53.050 0.016 0.000 0.888 69 N CB 1.018 39.534 38.487 0.049 0.000 1.128 69 N HN -0.659 8.067 8.380 0.172 -0.243 0.512 70 P HA -0.166 nan 4.420 nan 0.000 0.219 70 P C 0.848 178.119 177.300 -0.049 0.000 1.146 70 P CA 1.941 64.951 63.100 -0.150 0.000 0.808 70 P CB 0.056 31.570 31.700 -0.310 0.000 0.779 71 V N -9.016 110.876 119.914 -0.037 0.000 3.573 71 V HA 0.056 nan 4.120 nan 0.000 0.270 71 V C 0.450 176.571 176.094 0.046 0.000 1.221 71 V CA 1.377 63.688 62.300 0.018 0.000 1.163 71 V CB -1.314 30.524 31.823 0.025 0.000 0.847 71 V HN -0.517 7.751 8.190 -0.070 -0.120 0.468 72 K N -3.130 117.300 120.400 0.051 0.000 2.521 72 K HA 0.184 nan 4.320 nan 0.000 0.213 72 K C -0.557 176.100 176.600 0.095 0.000 1.223 72 K CA -0.062 56.269 56.287 0.073 0.000 1.013 72 K CB 1.888 34.422 32.500 0.056 0.000 1.017 72 K HN -0.354 7.835 8.250 0.039 0.085 0.591 73 E N -0.696 119.559 120.200 0.092 0.000 2.227 73 E HA 0.177 nan 4.350 nan 0.000 0.268 73 E C -1.500 175.112 176.600 0.021 0.000 0.990 73 E CA -0.419 56.032 56.400 0.086 0.000 0.856 73 E CB 1.981 31.735 29.700 0.089 0.000 1.159 73 E HN -0.821 7.586 8.360 0.078 0.000 0.401 74 D N 0.813 121.180 120.400 -0.056 0.000 2.753 74 D HA 0.159 nan 4.640 nan 0.000 0.224 74 D C 0.402 176.403 176.300 -0.499 0.000 1.213 74 D CA -1.206 52.625 54.000 -0.281 0.000 0.833 74 D CB 2.174 42.784 40.800 -0.317 0.000 1.607 74 D HN -0.052 8.404 8.370 0.145 0.000 0.463 75 I N 4.674 124.981 120.570 -0.437 0.000 2.423 75 I HA -0.304 nan 4.170 nan 0.000 0.254 75 I C 0.625 176.515 176.117 -0.378 0.000 1.151 75 I CA 2.191 63.263 61.300 -0.380 0.000 1.421 75 I CB 0.155 38.031 38.000 -0.206 0.000 1.079 75 I HN 0.127 8.152 8.210 -0.308 0.000 0.431 76 E N -0.714 119.210 120.200 -0.460 0.000 2.118 76 E HA -0.361 nan 4.350 nan 0.000 0.195 76 E C 2.175 178.483 176.600 -0.487 0.000 0.992 76 E CA 3.490 59.616 56.400 -0.458 0.000 0.804 76 E CB -0.650 28.741 29.700 -0.515 0.000 0.741 76 E HN 0.390 8.804 8.360 -0.480 -0.342 0.458 77 Y N -2.961 117.148 120.300 -0.318 0.000 2.242 77 Y HA -0.274 nan 4.550 nan 0.000 0.291 77 Y C 2.389 178.057 175.900 -0.386 0.000 1.137 77 Y CA 2.607 60.460 58.100 -0.411 0.000 1.181 77 Y CB -1.044 37.213 38.460 -0.338 0.000 0.989 77 Y HN -0.349 7.400 8.280 -0.858 0.016 0.527 78 V N -1.565 118.146 119.914 -0.338 0.000 2.407 78 V HA -0.355 nan 4.120 nan 0.000 0.248 78 V C 1.864 177.780 176.094 -0.296 0.000 1.055 78 V CA 3.408 65.343 62.300 -0.609 0.000 1.049 78 V CB -0.794 30.483 31.823 -0.910 0.000 0.662 78 V HN -0.702 7.176 8.190 -0.374 0.087 0.455 79 E N -0.241 119.825 120.200 -0.223 0.000 2.107 79 E HA -0.234 nan 4.350 nan 0.000 0.191 79 E C 2.594 179.129 176.600 -0.109 0.000 0.982 79 E CA 2.645 58.976 56.400 -0.116 0.000 0.809 79 E CB -0.476 29.158 29.700 -0.110 0.000 0.756 79 E HN -0.361 7.829 8.360 -0.267 0.010 0.459 80 S N 0.607 116.166 115.700 -0.236 0.000 2.387 80 S HA -0.234 nan 4.470 nan 0.000 0.226 80 S C 2.240 176.716 174.600 -0.207 0.000 1.026 80 S CA 3.267 61.269 58.200 -0.331 0.000 0.972 80 S CB -0.003 62.669 63.200 -0.881 0.000 0.814 80 S HN -0.361 7.768 8.310 -0.301 0.000 0.477 81 I N 3.024 123.514 120.570 -0.133 0.000 2.179 81 I HA -0.511 nan 4.170 nan 0.000 0.242 81 I C 1.701 177.864 176.117 0.077 0.000 1.088 81 I CA 4.065 65.370 61.300 0.008 0.000 1.357 81 I CB -0.272 37.822 38.000 0.157 0.000 1.051 81 I HN 0.398 8.402 8.210 -0.167 0.106 0.409 82 K N -1.525 118.958 120.400 0.137 0.000 2.097 82 K HA -0.423 nan 4.320 nan 0.000 0.206 82 K C 2.404 179.147 176.600 0.238 0.000 1.049 82 K CA 3.564 59.943 56.287 0.153 0.000 0.933 82 K CB -0.578 32.064 32.500 0.237 0.000 0.717 82 K HN -0.352 7.990 8.250 0.154 0.000 0.442 83 N N -0.130 118.659 118.700 0.148 0.000 2.039 83 N HA -0.306 nan 4.740 nan 0.000 0.193 83 N C 1.840 177.457 175.510 0.179 0.000 1.044 83 N CA 3.520 56.656 53.050 0.144 0.000 0.847 83 N CB 0.179 38.696 38.487 0.050 0.000 1.030 83 N HN -0.563 7.777 8.380 0.085 0.091 0.422 84 D N 0.418 120.895 120.400 0.129 0.000 2.178 84 D HA -0.205 nan 4.640 nan 0.000 0.201 84 D C 2.483 178.925 176.300 0.238 0.000 0.980 84 D CA 3.439 57.557 54.000 0.196 0.000 0.842 84 D CB -0.101 40.776 40.800 0.129 0.000 0.948 84 D HN -0.065 8.342 8.370 0.061 0.000 0.472 85 V N -0.039 119.972 119.914 0.162 0.000 2.343 85 V HA -0.420 nan 4.120 nan 0.000 0.247 85 V C 2.164 178.331 176.094 0.120 0.000 1.051 85 V CA 4.207 66.563 62.300 0.094 0.000 1.036 85 V CB -0.724 31.122 31.823 0.038 0.000 0.654 85 V HN -0.174 8.086 8.190 0.145 0.017 0.451 86 E N -1.043 119.291 120.200 0.223 0.000 2.072 86 E HA -0.342 nan 4.350 nan 0.000 0.191 86 E C 2.451 179.061 176.600 0.017 0.000 0.985 86 E CA 2.690 59.135 56.400 0.074 0.000 0.801 86 E CB -0.164 29.651 29.700 0.191 0.000 0.750 86 E HN -0.637 7.911 8.360 0.314 0.000 0.452 87 W N 1.366 122.654 121.300 -0.020 0.000 2.325 87 W HA -0.337 nan 4.660 nan 0.000 0.299 87 W C 1.188 177.657 176.519 -0.084 0.000 1.215 87 W CA 3.777 61.102 57.345 -0.034 0.000 1.244 87 W CB -0.039 29.425 29.460 0.006 0.000 1.140 87 W HN -0.249 8.140 8.180 0.349 0.000 0.523 88 L N -5.567 115.564 121.223 -0.153 0.000 2.465 88 L HA -0.263 nan 4.340 nan 0.000 0.224 88 L C 0.138 176.622 176.870 -0.642 0.000 1.145 88 L CA 0.810 55.424 54.840 -0.378 0.000 0.834 88 L CB 0.036 42.101 42.059 0.009 0.000 0.944 88 L HN -0.578 7.708 8.230 0.117 0.014 0.451 89 G N -2.722 105.722 108.800 -0.593 0.000 2.207 89 G HA2 -0.366 nan 3.960 nan 0.000 0.216 89 G HA3 -0.366 nan 3.960 nan 0.000 0.216 89 G C -0.623 173.711 174.900 -0.944 0.000 1.053 89 G CA -0.259 44.410 45.100 -0.718 0.000 0.764 89 G HN 0.014 7.841 8.290 -0.404 0.220 0.495 90 F N -1.144 118.466 119.950 -0.566 0.000 2.563 90 F HA 0.259 nan 4.527 nan 0.000 0.316 90 F C -1.369 173.997 175.800 -0.724 0.000 1.076 90 F CA -1.363 56.284 58.000 -0.589 0.000 0.921 90 F CB 3.314 41.849 39.000 -0.774 0.000 1.209 90 F HN -0.842 7.174 8.300 -0.473 0.000 0.462 91 H N 0.898 120.038 119.070 0.117 0.000 2.600 91 H HA 0.290 nan 4.556 nan 0.000 0.357 91 H C -0.906 174.620 175.328 0.330 0.000 1.106 91 H CA -1.571 54.461 56.048 -0.027 0.000 1.193 91 H CB 3.010 32.645 29.762 -0.212 0.000 1.594 91 H HN 0.090 8.470 8.280 0.168 0.000 0.526 92 W N 0.806 122.358 121.300 0.420 0.000 2.089 92 W HA 0.245 nan 4.660 nan 0.000 0.362 92 W C -0.978 175.683 176.519 0.237 0.000 1.362 92 W CA -2.308 55.290 57.345 0.421 0.000 1.460 92 W CB 0.689 30.366 29.460 0.362 0.000 1.204 92 W HN -0.129 7.971 8.180 -0.132 0.000 0.657 93 S N 1.918 117.877 115.700 0.433 0.000 2.489 93 S HA 0.020 nan 4.470 nan 0.000 0.277 93 S C 0.800 175.558 174.600 0.264 0.000 1.230 93 S CA -0.222 58.114 58.200 0.227 0.000 1.053 93 S CB 0.055 63.331 63.200 0.125 0.000 0.955 93 S HN 0.050 8.646 8.310 0.476 0.000 0.488 94 G N 6.953 115.851 108.800 0.165 0.000 2.582 94 G HA2 -0.470 nan 3.960 nan 0.000 0.288 94 G HA3 -0.470 nan 3.960 nan 0.000 0.288 94 G C -1.561 173.499 174.900 0.266 0.000 1.247 94 G CA -0.014 45.188 45.100 0.169 0.000 0.972 94 G HN 0.288 8.637 8.290 0.098 0.000 0.557 95 N N 0.290 119.145 118.700 0.257 0.000 2.445 95 N HA 0.035 nan 4.740 nan 0.000 0.264 95 N C -0.190 175.537 175.510 0.361 0.000 1.227 95 N CA -0.623 52.614 53.050 0.310 0.000 0.963 95 N CB 1.066 39.682 38.487 0.214 0.000 1.188 95 N HN -0.042 8.461 8.380 0.206 0.000 0.491 96 V N 0.766 120.898 119.914 0.363 0.000 2.715 96 V HA 0.136 nan 4.120 nan 0.000 0.299 96 V C -0.021 176.146 176.094 0.122 0.000 1.054 96 V CA 0.885 63.270 62.300 0.142 0.000 1.077 96 V CB 0.161 32.094 31.823 0.183 0.000 0.972 96 V HN 0.303 8.741 8.190 0.413 0.000 0.484 97 R N 3.592 124.061 120.500 -0.051 0.000 2.873 97 R HA 0.585 nan 4.340 nan 0.000 0.264 97 R C -1.906 174.299 176.300 -0.159 0.000 1.026 97 R CA -3.227 52.875 56.100 0.003 0.000 1.002 97 R CB 3.176 33.480 30.300 0.008 0.000 1.174 97 R HN 0.393 8.547 8.270 -0.194 0.000 0.488 98 Y N -1.715 118.508 120.300 -0.128 0.000 2.524 98 Y HA 0.298 nan 4.550 nan 0.000 0.347 98 Y C 1.384 177.096 175.900 -0.313 0.000 1.005 98 Y CA -1.010 57.017 58.100 -0.120 0.000 1.025 98 Y CB 3.464 41.847 38.460 -0.128 0.000 1.275 98 Y HN -0.336 8.148 8.280 0.018 -0.193 0.460 99 S N 4.792 120.469 115.700 -0.037 0.000 2.383 99 S HA -0.295 nan 4.470 nan 0.000 0.227 99 S C 2.021 176.369 174.600 -0.420 0.000 1.026 99 S CA 3.544 61.710 58.200 -0.057 0.000 0.981 99 S CB 0.113 63.359 63.200 0.077 0.000 0.818 99 S HN 0.491 8.934 8.310 0.063 -0.095 0.472 100 S N 1.229 116.497 115.700 -0.719 0.000 2.440 100 S HA -0.294 nan 4.470 nan 0.000 0.238 100 S C 1.958 175.935 174.600 -1.037 0.000 1.010 100 S CA 2.706 59.850 58.200 -1.761 0.000 0.972 100 S CB -0.361 62.089 63.200 -1.250 0.000 0.774 100 S HN 0.028 8.567 8.310 -0.333 -0.428 0.501 101 D N 3.123 123.110 120.400 -0.688 0.000 2.218 101 D HA -0.187 nan 4.640 nan 0.000 0.204 101 D C 0.872 176.806 176.300 -0.610 0.000 0.976 101 D CA 2.610 56.227 54.000 -0.639 0.000 0.853 101 D CB -0.169 40.162 40.800 -0.782 0.000 0.939 101 D HN -0.198 7.661 8.370 -0.549 0.182 0.481 102 Y N -3.600 116.612 120.300 -0.147 0.000 2.571 102 Y HA 0.089 nan 4.550 nan 0.000 0.275 102 Y C 0.423 176.381 175.900 0.097 0.000 1.179 102 Y CA -1.999 56.085 58.100 -0.026 0.000 1.242 102 Y CB -1.432 37.005 38.460 -0.039 0.000 1.126 102 Y HN 0.147 7.837 8.280 -0.692 0.175 0.524 103 F N 1.238 121.155 119.950 -0.054 0.000 2.126 103 F HA -0.424 nan 4.527 nan 0.000 0.299 103 F C 1.744 177.499 175.800 -0.076 0.000 1.096 103 F CA 2.769 60.610 58.000 -0.265 0.000 1.255 103 F CB -1.007 37.588 39.000 -0.675 0.000 0.997 103 F HN -0.378 7.680 8.300 -0.123 0.168 0.479 104 D N -2.946 117.686 120.400 0.387 0.000 2.178 104 D HA -0.282 nan 4.640 nan 0.000 0.202 104 D C 2.418 178.890 176.300 0.287 0.000 0.974 104 D CA 3.985 58.235 54.000 0.417 0.000 0.841 104 D CB -0.508 40.493 40.800 0.334 0.000 0.953 104 D HN 0.198 8.791 8.370 0.371 0.000 0.478 105 Q N 0.589 120.518 119.800 0.216 0.000 2.049 105 Q HA -0.177 nan 4.340 nan 0.000 0.198 105 Q C 2.365 178.444 176.000 0.133 0.000 0.971 105 Q CA 2.878 58.741 55.803 0.099 0.000 0.833 105 Q CB -0.292 28.535 28.738 0.148 0.000 0.896 105 Q HN -0.278 8.122 8.270 0.245 0.017 0.434 106 L N -0.530 120.841 121.223 0.247 0.000 1.989 106 L HA -0.392 nan 4.340 nan 0.000 0.211 106 L C 1.922 179.106 176.870 0.524 0.000 1.071 106 L CA 3.106 58.137 54.840 0.317 0.000 0.749 106 L CB -1.182 41.041 42.059 0.272 0.000 0.890 106 L HN 0.433 8.819 8.230 0.259 0.000 0.431 107 H N -0.533 118.751 119.070 0.356 0.000 2.387 107 H HA -0.430 nan 4.556 nan 0.000 0.299 107 H C 1.855 177.343 175.328 0.266 0.000 1.099 107 H CA 4.097 60.335 56.048 0.317 0.000 1.315 107 H CB 0.580 30.471 29.762 0.214 0.000 1.380 107 H HN -0.167 8.369 8.280 0.427 0.000 0.513 108 A N -1.381 121.497 122.820 0.098 0.000 1.930 108 A HA -0.282 nan 4.320 nan 0.000 0.217 108 A C 2.152 179.690 177.584 -0.076 0.000 1.175 108 A CA 2.852 54.847 52.037 -0.070 0.000 0.627 108 A CB -0.920 17.995 19.000 -0.142 0.000 0.815 108 A HN -0.339 7.829 8.150 0.200 0.102 0.443 109 Y N -1.816 118.555 120.300 0.118 0.000 2.373 109 Y HA -0.297 nan 4.550 nan 0.000 0.293 109 Y C 2.027 178.058 175.900 0.219 0.000 1.129 109 Y CA 2.147 60.327 58.100 0.133 0.000 1.226 109 Y CB -0.668 37.842 38.460 0.083 0.000 1.000 109 Y HN -0.196 8.043 8.280 0.098 0.100 0.549 110 A N 0.664 123.737 122.820 0.423 0.000 1.930 110 A HA -0.307 nan 4.320 nan 0.000 0.217 110 A C 1.845 179.392 177.584 -0.062 0.000 1.175 110 A CA 3.248 55.355 52.037 0.117 0.000 0.627 110 A CB -1.113 17.880 19.000 -0.013 0.000 0.815 110 A HN 0.184 8.492 8.150 0.458 0.117 0.443 111 I N -1.284 119.264 120.570 -0.037 0.000 2.226 111 I HA -0.601 nan 4.170 nan 0.000 0.245 111 I C 1.399 177.511 176.117 -0.007 0.000 1.100 111 I CA 4.372 65.646 61.300 -0.043 0.000 1.374 111 I CB -0.183 37.783 38.000 -0.057 0.000 1.057 111 I HN -0.315 7.875 8.210 -0.030 0.002 0.413 112 E N 0.684 120.906 120.200 0.038 0.000 2.058 112 E HA -0.394 nan 4.350 nan 0.000 0.194 112 E C 2.465 179.084 176.600 0.032 0.000 0.997 112 E CA 3.537 59.968 56.400 0.051 0.000 0.801 112 E CB -0.100 29.671 29.700 0.118 0.000 0.746 112 E HN -0.740 7.580 8.360 0.062 0.076 0.450 113 L N -0.868 120.380 121.223 0.041 0.000 2.012 113 L HA -0.340 nan 4.340 nan 0.000 0.210 113 L C 2.284 179.150 176.870 -0.006 0.000 1.073 113 L CA 3.024 57.871 54.840 0.012 0.000 0.748 113 L CB -0.570 41.499 42.059 0.017 0.000 0.891 113 L HN -0.406 7.878 8.230 0.089 0.000 0.431 114 I N -0.677 119.864 120.570 -0.048 0.000 2.179 114 I HA -0.658 nan 4.170 nan 0.000 0.242 114 I C 2.432 178.548 176.117 -0.002 0.000 1.088 114 I CA 4.440 65.713 61.300 -0.045 0.000 1.357 114 I CB -0.531 37.413 38.000 -0.093 0.000 1.051 114 I HN 0.400 8.499 8.210 -0.077 0.064 0.409 115 N N 0.893 119.594 118.700 0.001 0.000 2.192 115 N HA -0.251 nan 4.740 nan 0.000 0.188 115 N C 1.361 176.879 175.510 0.013 0.000 1.013 115 N CA 2.721 55.778 53.050 0.010 0.000 0.863 115 N CB -0.341 38.152 38.487 0.010 0.000 0.990 115 N HN 0.324 8.590 8.380 -0.005 0.111 0.430 116 K N -3.373 117.035 120.400 0.013 0.000 2.417 116 K HA 0.111 nan 4.320 nan 0.000 0.196 116 K C 0.163 176.782 176.600 0.031 0.000 1.023 116 K CA -0.302 55.994 56.287 0.015 0.000 1.122 116 K CB 0.096 32.598 32.500 0.002 0.000 0.850 116 K HN -0.504 7.617 8.250 0.011 0.135 0.521 117 G N -1.340 107.483 108.800 0.038 0.000 2.168 117 G HA2 -0.392 nan 3.960 nan 0.000 0.257 117 G HA3 -0.392 nan 3.960 nan 0.000 0.257 117 G C -0.151 174.805 174.900 0.094 0.000 0.997 117 G CA 1.095 46.229 45.100 0.056 0.000 0.708 117 G HN 0.223 8.325 8.290 0.030 0.207 0.520 118 L N -1.445 119.845 121.223 0.111 0.000 2.685 118 L HA 0.100 nan 4.340 nan 0.000 0.233 118 L C -1.683 175.317 176.870 0.217 0.000 1.173 118 L CA -0.597 54.368 54.840 0.208 0.000 0.961 118 L CB -0.686 41.504 42.059 0.219 0.000 1.217 118 L HN -0.341 7.895 8.230 0.075 0.040 0.478 119 A N -2.972 119.932 122.820 0.139 0.000 2.605 119 A HA 0.490 nan 4.320 nan 0.000 0.294 119 A C -2.285 175.362 177.584 0.106 0.000 1.062 119 A CA 0.020 52.086 52.037 0.049 0.000 0.682 119 A CB 2.812 21.746 19.000 -0.110 0.000 1.278 119 A HN -0.637 7.502 8.150 0.123 0.085 0.410 120 Y N -4.145 116.087 120.300 -0.114 0.000 2.624 120 Y HA 0.296 nan 4.550 nan 0.000 0.334 120 Y C -2.535 173.294 175.900 -0.118 0.000 1.155 120 Y CA -1.974 56.071 58.100 -0.093 0.000 1.046 120 Y CB 1.840 40.277 38.460 -0.038 0.000 1.316 120 Y HN 0.106 8.147 8.280 -0.397 0.000 0.457 121 V N 2.037 121.957 119.914 0.010 0.000 2.389 121 V HA 0.078 nan 4.120 nan 0.000 0.264 121 V C -0.869 175.219 176.094 -0.010 0.000 1.049 121 V CA 0.200 62.438 62.300 -0.102 0.000 0.932 121 V CB -0.842 30.951 31.823 -0.050 0.000 1.011 121 V HN 0.471 8.735 8.190 0.122 0.000 0.475 122 D N 6.530 126.842 120.400 -0.146 0.000 2.229 122 D HA 0.297 nan 4.640 nan 0.000 0.249 122 D C -0.833 175.297 176.300 -0.284 0.000 1.027 122 D CA -1.361 52.622 54.000 -0.028 0.000 0.923 122 D CB 3.436 44.235 40.800 -0.001 0.000 1.174 122 D HN 0.277 8.467 8.370 -0.300 0.000 0.443 123 E N 0.560 120.449 120.200 -0.518 0.000 2.630 123 E HA 0.168 nan 4.350 nan 0.000 0.218 123 E C -0.345 176.024 176.600 -0.385 0.000 0.977 123 E CA -1.204 54.814 56.400 -0.637 0.000 1.038 123 E CB 1.328 30.453 29.700 -0.958 0.000 1.051 123 E HN 0.379 8.392 8.360 -0.579 0.000 0.487 124 L N 0.794 121.912 121.223 -0.174 0.000 2.514 124 L HA -0.204 nan 4.340 nan 0.000 0.280 124 L C 0.490 177.316 176.870 -0.074 0.000 1.223 124 L CA 0.592 55.397 54.840 -0.058 0.000 0.864 124 L CB 0.401 42.383 42.059 -0.128 0.000 1.118 124 L HN -0.692 7.690 8.230 -0.130 -0.230 0.494 125 T N 2.666 117.204 114.554 -0.026 0.000 2.652 125 T HA 0.244 nan 4.350 nan 0.000 0.319 125 T C -0.340 174.354 174.700 -0.010 0.000 1.029 125 T CA -0.752 61.340 62.100 -0.014 0.000 0.990 125 T CB -0.415 68.465 68.868 0.019 0.000 1.098 125 T HN 0.593 9.242 8.240 0.003 -0.408 0.520 126 P HA -0.065 nan 4.420 nan 0.000 0.217 126 P C 1.722 179.035 177.300 0.023 0.000 1.151 126 P CA 2.997 66.101 63.100 0.007 0.000 0.828 126 P CB 0.133 31.841 31.700 0.013 0.000 0.788 127 E N -2.516 117.705 120.200 0.034 0.000 2.072 127 E HA -0.272 nan 4.350 nan 0.000 0.191 127 E C 2.588 179.230 176.600 0.070 0.000 0.985 127 E CA 3.278 59.706 56.400 0.047 0.000 0.801 127 E CB -1.113 28.617 29.700 0.049 0.000 0.750 127 E HN 0.076 8.455 8.360 0.032 0.000 0.452 128 Q N -0.988 118.857 119.800 0.076 0.000 2.050 128 Q HA -0.329 nan 4.340 nan 0.000 0.202 128 Q C 2.596 178.667 176.000 0.120 0.000 0.980 128 Q CA 3.447 59.326 55.803 0.126 0.000 0.840 128 Q CB 0.100 28.882 28.738 0.074 0.000 0.898 128 Q HN -0.326 7.977 8.270 0.055 0.000 0.424 129 T N -2.152 112.417 114.554 0.024 0.000 2.685 129 T HA -0.425 nan 4.350 nan 0.000 0.268 129 T C 1.764 176.513 174.700 0.082 0.000 1.034 129 T CA 3.869 65.978 62.100 0.014 0.000 1.149 129 T CB -0.791 68.068 68.868 -0.015 0.000 0.860 129 T HN 0.197 8.440 8.240 0.006 0.000 0.449 130 R N 1.395 121.940 120.500 0.074 0.000 2.073 130 R HA -0.346 nan 4.340 nan 0.000 0.234 130 R C 2.734 179.093 176.300 0.098 0.000 1.134 130 R CA 3.221 59.363 56.100 0.070 0.000 0.952 130 R CB -0.257 30.072 30.300 0.050 0.000 0.850 130 R HN -0.605 7.694 8.270 0.060 0.006 0.433 131 E N -0.335 119.948 120.200 0.138 0.000 2.051 131 E HA -0.306 nan 4.350 nan 0.000 0.192 131 E C 2.791 179.481 176.600 0.150 0.000 0.991 131 E CA 2.958 59.439 56.400 0.135 0.000 0.799 131 E CB -0.103 29.691 29.700 0.156 0.000 0.748 131 E HN -0.521 7.837 8.360 0.146 0.090 0.449 132 Y N -2.784 117.527 120.300 0.018 0.000 2.509 132 Y HA -0.153 nan 4.550 nan 0.000 0.293 132 Y C 1.162 177.069 175.900 0.011 0.000 1.133 132 Y CA 1.584 59.695 58.100 0.017 0.000 1.283 132 Y CB -0.503 37.975 38.460 0.030 0.000 1.001 132 Y HN 0.094 8.686 8.280 0.520 0.000 0.555 133 R N -0.810 119.785 120.500 0.158 0.000 2.285 133 R HA -0.290 nan 4.340 nan 0.000 0.213 133 R C 0.163 176.490 176.300 0.045 0.000 1.068 133 R CA 0.998 57.150 56.100 0.086 0.000 1.004 133 R CB 0.214 30.551 30.300 0.063 0.000 0.873 133 R HN -0.651 7.550 8.270 0.163 0.167 0.467 134 G N -3.236 105.581 108.800 0.029 0.000 2.741 134 G HA2 -0.518 nan 3.960 nan 0.000 0.222 134 G HA3 -0.518 nan 3.960 nan 0.000 0.222 134 G C -0.929 173.971 174.900 -0.000 0.000 1.364 134 G CA -0.590 44.512 45.100 0.002 0.000 0.866 134 G HN -0.890 7.364 8.290 0.037 0.059 0.555 135 T N -3.751 110.796 114.554 -0.011 0.000 2.633 135 T HA 0.283 nan 4.350 nan 0.000 0.262 135 T C 0.706 175.393 174.700 -0.022 0.000 0.920 135 T CA -1.631 60.461 62.100 -0.014 0.000 1.062 135 T CB 2.192 71.049 68.868 -0.018 0.000 1.390 135 T HN 0.227 8.348 8.240 -0.016 0.110 0.549 136 L N -1.406 119.800 121.223 -0.028 0.000 2.610 136 L HA 0.069 nan 4.340 nan 0.000 0.232 136 L C 0.510 177.354 176.870 -0.044 0.000 1.149 136 L CA 1.769 56.587 54.840 -0.038 0.000 0.872 136 L CB -0.674 41.360 42.059 -0.041 0.000 0.992 136 L HN 0.395 8.609 8.230 -0.026 0.000 0.447 137 T N -8.714 105.817 114.554 -0.037 0.000 2.993 137 T HA 0.115 nan 4.350 nan 0.000 0.260 137 T C 0.275 174.955 174.700 -0.034 0.000 0.939 137 T CA -0.062 62.015 62.100 -0.038 0.000 0.886 137 T CB 1.295 70.142 68.868 -0.035 0.000 1.209 137 T HN -0.598 7.546 8.240 -0.032 0.077 0.518 138 Q N 2.813 122.595 119.800 -0.030 0.000 2.333 138 Q HA 0.582 nan 4.340 nan 0.000 0.265 138 Q C -2.316 173.669 176.000 -0.025 0.000 0.989 138 Q CA -3.006 52.780 55.803 -0.028 0.000 0.842 138 Q CB 1.917 30.638 28.738 -0.028 0.000 1.262 138 Q HN -0.477 7.776 8.270 -0.029 0.000 0.451 139 P HA 0.146 nan 4.420 nan 0.000 0.270 139 P C -0.948 176.345 177.300 -0.012 0.000 1.223 139 P CA -0.204 62.886 63.100 -0.017 0.000 0.785 139 P CB 0.776 32.467 31.700 -0.016 0.000 0.923 140 G N -0.517 108.285 108.800 0.003 0.000 2.510 140 G HA2 0.385 nan 3.960 nan 0.000 0.280 140 G HA3 0.385 nan 3.960 nan 0.000 0.280 140 G C -2.050 172.862 174.900 0.019 0.000 1.386 140 G CA -0.725 44.386 45.100 0.020 0.000 1.047 140 G HN 0.209 8.503 8.290 0.006 0.000 0.527 141 K N -2.085 118.353 120.400 0.064 0.000 2.498 141 K HA 0.204 nan 4.320 nan 0.000 0.254 141 K C -1.174 175.547 176.600 0.201 0.000 0.933 141 K CA -1.594 54.739 56.287 0.075 0.000 0.806 141 K CB 2.635 35.111 32.500 -0.040 0.000 1.301 141 K HN 0.396 8.617 8.250 0.115 0.098 0.432 142 N N 2.352 121.127 118.700 0.126 0.000 2.454 142 N HA -0.067 nan 4.740 nan 0.000 0.260 142 N C 0.056 175.666 175.510 0.167 0.000 1.218 142 N CA 0.638 53.750 53.050 0.102 0.000 0.904 142 N CB 0.229 38.723 38.487 0.011 0.000 1.065 142 N HN 0.168 8.590 8.380 0.069 0.000 0.462 143 S N 4.881 120.630 115.700 0.082 0.000 2.579 143 S HA 0.159 nan 4.470 nan 0.000 0.275 143 S C 0.948 175.485 174.600 -0.106 0.000 1.345 143 S CA -2.475 55.690 58.200 -0.058 0.000 1.031 143 S CB 0.883 64.085 63.200 0.003 0.000 0.892 143 S HN 0.192 8.548 8.310 0.076 0.000 0.529 144 P HA -0.037 nan 4.420 nan 0.000 0.230 144 P C -0.134 176.882 177.300 -0.474 0.000 1.158 144 P CA 1.714 64.589 63.100 -0.375 0.000 0.769 144 P CB 0.058 31.450 31.700 -0.512 0.000 0.807 145 Y N -2.410 117.852 120.300 -0.064 0.000 2.482 145 Y HA 0.052 nan 4.550 nan 0.000 0.270 145 Y C 1.243 177.031 175.900 -0.187 0.000 1.152 145 Y CA -0.123 57.946 58.100 -0.052 0.000 1.292 145 Y CB -0.623 37.851 38.460 0.025 0.000 1.070 145 Y HN -0.502 7.545 8.280 -0.279 0.065 0.528 146 R N 0.564 120.891 120.500 -0.289 0.000 2.200 146 R HA -0.348 nan 4.340 nan 0.000 0.234 146 R C -0.492 175.477 176.300 -0.552 0.000 1.127 146 R CA 2.997 58.606 56.100 -0.818 0.000 0.989 146 R CB -0.026 29.912 30.300 -0.603 0.000 0.869 146 R HN -0.599 7.364 8.270 -0.210 0.182 0.459 147 D N -3.201 117.046 120.400 -0.255 0.000 2.895 147 D HA 0.095 nan 4.640 nan 0.000 0.258 147 D C -0.370 175.889 176.300 -0.068 0.000 1.311 147 D CA -0.744 53.166 54.000 -0.150 0.000 0.843 147 D CB -0.746 39.991 40.800 -0.105 0.000 1.055 147 D HN -0.110 8.104 8.370 -0.198 0.037 0.486 148 R N -0.191 120.287 120.500 -0.037 0.000 2.707 148 R HA 0.138 nan 4.340 nan 0.000 0.270 148 R C -0.144 176.171 176.300 0.025 0.000 1.083 148 R CA -0.249 55.868 56.100 0.029 0.000 1.182 148 R CB 0.916 31.267 30.300 0.085 0.000 1.084 148 R HN -0.683 7.479 8.270 -0.075 0.063 0.528 149 S N -0.687 115.034 115.700 0.034 0.000 2.592 149 S HA 0.057 nan 4.470 nan 0.000 0.271 149 S C 1.365 175.989 174.600 0.040 0.000 1.326 149 S CA -1.018 57.200 58.200 0.030 0.000 1.024 149 S CB 1.504 64.721 63.200 0.029 0.000 0.921 149 S HN -0.288 8.228 8.310 0.041 -0.181 0.527 150 V N 4.576 124.511 119.914 0.034 0.000 2.324 150 V HA -0.461 nan 4.120 nan 0.000 0.250 150 V C 2.108 178.227 176.094 0.042 0.000 1.060 150 V CA 4.197 66.519 62.300 0.036 0.000 1.042 150 V CB -0.669 31.171 31.823 0.027 0.000 0.650 150 V HN 0.817 9.023 8.190 0.027 0.000 0.450 151 E N -2.273 117.950 120.200 0.039 0.000 2.077 151 E HA -0.322 nan 4.350 nan 0.000 0.193 151 E C 2.518 179.150 176.600 0.054 0.000 0.989 151 E CA 3.599 60.024 56.400 0.042 0.000 0.800 151 E CB -0.733 28.988 29.700 0.034 0.000 0.746 151 E HN 0.572 8.947 8.360 0.033 0.006 0.452 152 E N -0.253 119.982 120.200 0.058 0.000 2.106 152 E HA -0.321 nan 4.350 nan 0.000 0.192 152 E C 2.332 178.987 176.600 0.092 0.000 0.984 152 E CA 2.754 59.198 56.400 0.073 0.000 0.806 152 E CB -0.165 29.579 29.700 0.073 0.000 0.750 152 E HN -0.566 7.717 8.360 0.051 0.108 0.458 153 N N 0.559 119.310 118.700 0.085 0.000 2.188 153 N HA -0.271 nan 4.740 nan 0.000 0.184 153 N C 2.467 178.044 175.510 0.112 0.000 1.018 153 N CA 3.079 56.182 53.050 0.088 0.000 0.858 153 N CB 0.059 38.583 38.487 0.062 0.000 0.989 153 N HN 0.092 8.503 8.380 0.072 0.012 0.426 154 L N -0.509 120.774 121.223 0.100 0.000 2.046 154 L HA -0.294 nan 4.340 nan 0.000 0.208 154 L C 1.544 178.498 176.870 0.141 0.000 1.077 154 L CA 2.852 57.767 54.840 0.126 0.000 0.747 154 L CB -1.388 40.721 42.059 0.083 0.000 0.896 154 L HN 0.141 8.417 8.230 0.077 0.000 0.432 155 A N -0.314 122.571 122.820 0.109 0.000 1.858 155 A HA -0.282 nan 4.320 nan 0.000 0.216 155 A C 2.470 180.137 177.584 0.137 0.000 1.190 155 A CA 3.241 55.337 52.037 0.098 0.000 0.617 155 A CB -0.669 18.377 19.000 0.078 0.000 0.827 155 A HN -0.344 7.862 8.150 0.095 0.000 0.443 156 L N -2.203 119.126 121.223 0.177 0.000 2.083 156 L HA -0.242 nan 4.340 nan 0.000 0.209 156 L C 2.199 179.248 176.870 0.299 0.000 1.083 156 L CA 1.864 56.860 54.840 0.260 0.000 0.752 156 L CB -1.611 40.583 42.059 0.225 0.000 0.899 156 L HN 0.011 8.332 8.230 0.153 0.000 0.433 157 F N 1.131 121.112 119.950 0.051 0.000 2.102 157 F HA -0.431 nan 4.527 nan 0.000 0.298 157 F C 1.769 177.595 175.800 0.043 0.000 1.105 157 F CA 3.056 61.058 58.000 0.004 0.000 1.239 157 F CB -0.245 38.725 39.000 -0.050 0.000 0.991 157 F HN 0.368 8.854 8.300 0.311 0.000 0.474 158 E N -0.609 119.601 120.200 0.018 0.000 2.153 158 E HA -0.399 nan 4.350 nan 0.000 0.194 158 E C 2.218 178.789 176.600 -0.049 0.000 0.988 158 E CA 2.873 59.222 56.400 -0.085 0.000 0.811 158 E CB -0.606 29.084 29.700 -0.017 0.000 0.746 158 E HN -0.174 8.269 8.360 0.139 0.000 0.466 159 K N -0.355 120.076 120.400 0.051 0.000 2.057 159 K HA -0.280 nan 4.320 nan 0.000 0.206 159 K C 2.197 178.878 176.600 0.135 0.000 1.050 159 K CA 3.189 59.512 56.287 0.060 0.000 0.935 159 K CB -0.215 32.333 32.500 0.081 0.000 0.715 159 K HN -0.533 7.663 8.250 0.105 0.117 0.439 160 M N -0.574 119.165 119.600 0.233 0.000 2.065 160 M HA -0.461 nan 4.480 nan 0.000 0.259 160 M C 2.308 178.596 176.300 -0.021 0.000 1.071 160 M CA 4.133 59.548 55.300 0.191 0.000 1.109 160 M CB -0.087 32.577 32.600 0.107 0.000 1.313 160 M HN -0.020 8.328 8.290 0.237 0.085 0.408 161 R N -0.477 119.897 120.500 -0.210 0.000 2.103 161 R HA -0.343 nan 4.340 nan 0.000 0.242 161 R C 1.339 177.541 176.300 -0.164 0.000 1.142 161 R CA 3.106 59.041 56.100 -0.274 0.000 0.960 161 R CB 0.140 30.181 30.300 -0.431 0.000 0.858 161 R HN 0.227 8.315 8.270 -0.303 0.000 0.439 162 A N -4.011 118.742 122.820 -0.112 0.000 2.268 162 A HA 0.049 nan 4.320 nan 0.000 0.221 162 A C 0.075 177.665 177.584 0.010 0.000 1.287 162 A CA -0.103 51.891 52.037 -0.071 0.000 0.902 162 A CB -0.579 18.376 19.000 -0.074 0.000 0.877 162 A HN -0.023 7.936 8.150 -0.109 0.125 0.487 163 G N -1.512 107.338 108.800 0.084 0.000 2.283 163 G HA2 -0.351 nan 3.960 nan 0.000 0.280 163 G HA3 -0.351 nan 3.960 nan 0.000 0.280 163 G C 0.700 175.728 174.900 0.214 0.000 1.029 163 G CA 0.227 45.489 45.100 0.271 0.000 0.840 163 G HN -0.089 8.019 8.290 0.035 0.203 0.505 164 G N -2.002 106.852 108.800 0.092 0.000 2.777 164 G HA2 -0.064 nan 3.960 nan 0.000 0.211 164 G HA3 -0.064 nan 3.960 nan 0.000 0.211 164 G C -0.874 173.947 174.900 -0.131 0.000 1.149 164 G CA -0.334 44.730 45.100 -0.061 0.000 0.785 164 G HN 0.183 8.494 8.290 0.083 0.028 0.536 165 F N -0.969 119.055 119.950 0.124 0.000 2.480 165 F HA 0.134 nan 4.527 nan 0.000 0.329 165 F C -0.423 175.508 175.800 0.218 0.000 1.091 165 F CA -1.044 57.024 58.000 0.112 0.000 0.972 165 F CB 2.659 41.690 39.000 0.052 0.000 1.150 165 F HN -0.807 7.641 8.300 0.326 0.047 0.467 166 E N 2.073 122.518 120.200 0.409 0.000 2.391 166 E HA 0.028 nan 4.350 nan 0.000 0.255 166 E C -0.630 176.156 176.600 0.310 0.000 1.187 166 E CA -0.591 56.041 56.400 0.386 0.000 0.941 166 E CB 1.093 30.934 29.700 0.235 0.000 1.010 166 E HN 0.110 8.696 8.360 0.376 0.000 0.458 167 E N 0.329 120.714 120.200 0.308 0.000 2.414 167 E HA -0.370 nan 4.350 nan 0.000 0.263 167 E C 0.653 177.309 176.600 0.093 0.000 1.000 167 E CA 1.743 58.228 56.400 0.142 0.000 0.914 167 E CB -0.174 29.623 29.700 0.162 0.000 0.948 167 E HN 0.320 8.923 8.360 0.406 0.000 0.444 168 G N 5.075 113.895 108.800 0.032 0.000 2.220 168 G HA2 -0.428 nan 3.960 nan 0.000 0.269 168 G HA3 -0.428 nan 3.960 nan 0.000 0.269 168 G C 0.435 175.324 174.900 -0.017 0.000 0.977 168 G CA 0.943 46.047 45.100 0.007 0.000 0.634 168 G HN 0.721 9.016 8.290 0.007 0.000 0.539 169 K N -0.156 120.249 120.400 0.008 0.000 2.486 169 K HA -0.082 nan 4.320 nan 0.000 0.194 169 K C -1.686 174.787 176.600 -0.212 0.000 1.033 169 K CA -0.215 56.068 56.287 -0.005 0.000 1.004 169 K CB 0.454 33.055 32.500 0.168 0.000 0.798 169 K HN -0.291 7.893 8.250 0.055 0.099 0.495 170 A N -5.544 117.084 122.820 -0.321 0.000 2.590 170 A HA 0.288 nan 4.320 nan 0.000 0.296 170 A C -2.694 174.683 177.584 -0.345 0.000 1.050 170 A CA -0.877 50.840 52.037 -0.534 0.000 0.697 170 A CB 2.031 20.250 19.000 -1.302 0.000 1.277 170 A HN -0.636 7.343 8.150 -0.199 0.052 0.411 171 C N -2.830 116.298 119.300 -0.286 0.000 3.318 171 C HA 0.877 nan 4.460 nan 0.000 0.322 171 C C -2.585 172.276 174.990 -0.214 0.000 1.398 171 C CA -2.388 56.523 59.018 -0.179 0.000 1.339 171 C CB 3.994 31.653 27.740 -0.135 0.000 1.668 171 C HN 0.368 8.408 8.230 -0.317 0.000 0.462 172 L N -0.093 121.027 121.223 -0.172 0.000 2.307 172 L HA 0.806 nan 4.340 nan 0.000 0.282 172 L C -1.660 174.984 176.870 -0.376 0.000 1.051 172 L CA -0.871 53.779 54.840 -0.317 0.000 0.804 172 L CB 2.391 44.231 42.059 -0.364 0.000 1.197 172 L HN -0.046 8.147 8.230 -0.062 0.000 0.431 173 R N 3.128 123.284 120.500 -0.574 0.000 2.744 173 R HA 0.690 nan 4.340 nan 0.000 0.279 173 R C -1.826 174.210 176.300 -0.440 0.000 0.977 173 R CA -2.422 53.348 56.100 -0.550 0.000 0.906 173 R CB 4.373 34.222 30.300 -0.752 0.000 1.197 173 R HN 0.761 8.607 8.270 -0.707 0.000 0.463 174 A N 2.249 124.915 122.820 -0.257 0.000 2.388 174 A HA 0.138 nan 4.320 nan 0.000 0.257 174 A C -1.290 176.260 177.584 -0.058 0.000 1.095 174 A CA -0.830 51.131 52.037 -0.128 0.000 0.791 174 A CB 0.712 19.578 19.000 -0.225 0.000 1.029 174 A HN 0.531 8.532 8.150 -0.248 0.000 0.489 175 K N 4.725 125.182 120.400 0.094 0.000 2.231 175 K HA 0.166 nan 4.320 nan 0.000 0.255 175 K C -1.053 175.549 176.600 0.004 0.000 1.108 175 K CA -0.300 56.082 56.287 0.158 0.000 0.997 175 K CB -0.807 31.830 32.500 0.228 0.000 1.549 175 K HN 0.045 8.293 8.250 0.184 0.112 0.419 176 I N 2.709 123.186 120.570 -0.155 0.000 5.993 176 I HA 0.204 nan 4.170 nan 0.000 0.233 176 I C -0.643 175.408 176.117 -0.110 0.000 0.825 176 I CA 0.032 61.173 61.300 -0.265 0.000 2.082 176 I CB 1.593 39.241 38.000 -0.587 0.000 1.414 176 I HN 0.028 8.418 8.210 -0.118 -0.250 0.482 177 D N -0.491 119.844 120.400 -0.109 0.000 2.386 177 D HA 0.236 nan 4.640 nan 0.000 0.247 177 D C 0.142 176.431 176.300 -0.018 0.000 1.336 177 D CA -1.014 52.963 54.000 -0.038 0.000 0.976 177 D CB 0.880 41.668 40.800 -0.021 0.000 1.257 177 D HN -0.407 7.868 8.370 -0.159 0.000 0.570 178 M N 4.811 124.412 119.600 0.001 0.000 2.629 178 M HA -0.159 nan 4.480 nan 0.000 0.257 178 M C 0.218 176.526 176.300 0.013 0.000 1.071 178 M CA 1.105 56.415 55.300 0.017 0.000 1.077 178 M CB -0.996 31.627 32.600 0.038 0.000 1.423 178 M HN 0.513 8.805 8.290 0.004 0.000 0.508 179 A N -3.534 119.291 122.820 0.008 0.000 2.431 179 A HA 0.163 nan 4.320 nan 0.000 0.239 179 A C -0.086 177.503 177.584 0.008 0.000 1.230 179 A CA -0.939 51.101 52.037 0.004 0.000 0.928 179 A CB 0.059 19.059 19.000 0.001 0.000 1.006 179 A HN -0.404 7.978 8.150 0.007 -0.228 0.520 180 S N 1.393 117.106 115.700 0.022 0.000 2.558 180 S HA 0.002 nan 4.470 nan 0.000 0.288 180 S C -0.634 173.981 174.600 0.026 0.000 1.318 180 S CA -1.831 56.401 58.200 0.054 0.000 1.056 180 S CB 0.804 64.063 63.200 0.098 0.000 0.853 180 S HN -0.333 7.818 8.310 0.017 0.169 0.505 181 P HA -0.064 nan 4.420 nan 0.000 0.223 181 P C -0.608 176.562 177.300 -0.216 0.000 1.151 181 P CA 1.051 64.058 63.100 -0.154 0.000 0.787 181 P CB 0.282 31.828 31.700 -0.257 0.000 0.788 182 F N -1.285 118.653 119.950 -0.020 0.000 2.471 182 F HA -0.048 nan 4.527 nan 0.000 0.365 182 F C 1.438 177.222 175.800 -0.026 0.000 1.095 182 F CA 0.391 58.379 58.000 -0.020 0.000 1.174 182 F CB -0.227 38.764 39.000 -0.016 0.000 1.105 182 F HN -0.701 7.665 8.300 0.167 0.034 0.535 183 I N 6.849 127.480 120.570 0.100 0.000 2.454 183 I HA -0.301 nan 4.170 nan 0.000 0.254 183 I C 1.302 177.458 176.117 0.065 0.000 1.156 183 I CA 2.764 64.097 61.300 0.056 0.000 1.433 183 I CB -0.164 37.850 38.000 0.024 0.000 1.082 183 I HN 0.438 8.688 8.210 0.067 0.000 0.432 184 V N -0.876 119.100 119.914 0.103 0.000 2.913 184 V HA -0.244 nan 4.120 nan 0.000 0.260 184 V C 0.637 176.735 176.094 0.007 0.000 1.098 184 V CA 2.404 64.743 62.300 0.065 0.000 1.121 184 V CB -0.570 31.306 31.823 0.088 0.000 0.714 184 V HN -0.188 8.072 8.190 0.161 0.026 0.487 185 M N -3.644 115.961 119.600 0.008 0.000 2.431 185 M HA 0.125 nan 4.480 nan 0.000 0.237 185 M C -0.095 176.140 176.300 -0.110 0.000 1.130 185 M CA -1.193 54.043 55.300 -0.107 0.000 1.002 185 M CB -0.203 32.334 32.600 -0.105 0.000 1.524 185 M HN -0.672 7.520 8.290 0.093 0.154 0.482 186 R N 2.240 122.714 120.500 -0.044 0.000 3.701 186 R HA -0.048 nan 4.340 nan 0.000 0.210 186 R C -1.046 175.231 176.300 -0.039 0.000 1.598 186 R CA -0.401 55.682 56.100 -0.028 0.000 1.427 186 R CB -2.337 27.968 30.300 0.008 0.000 1.339 186 R HN -0.683 7.515 8.270 -0.013 0.063 0.720 187 D N -1.441 118.908 120.400 -0.087 0.000 2.699 187 D HA -0.271 nan 4.640 nan 0.000 0.239 187 D C -1.834 174.397 176.300 -0.116 0.000 1.136 187 D CA 0.923 54.873 54.000 -0.083 0.000 0.668 187 D CB -1.093 39.730 40.800 0.038 0.000 1.060 187 D HN -0.334 7.897 8.370 -0.135 0.058 0.429 188 P HA -0.182 nan 4.420 nan 0.000 0.261 188 P C -0.643 176.580 177.300 -0.129 0.000 1.173 188 P CA 0.293 63.333 63.100 -0.100 0.000 0.760 188 P CB 0.338 31.986 31.700 -0.086 0.000 0.783 189 V N 1.328 121.177 119.914 -0.109 0.000 2.763 189 V HA -0.030 nan 4.120 nan 0.000 0.306 189 V C 0.465 176.474 176.094 -0.143 0.000 1.059 189 V CA 1.338 63.556 62.300 -0.137 0.000 1.138 189 V CB -0.190 31.578 31.823 -0.092 0.000 0.940 189 V HN 0.282 8.428 8.190 -0.073 0.000 0.489 190 L N 3.869 124.966 121.223 -0.210 0.000 2.577 190 L HA 0.333 nan 4.340 nan 0.000 0.225 190 L C -0.813 175.845 176.870 -0.354 0.000 1.053 190 L CA 0.476 55.116 54.840 -0.333 0.000 0.866 190 L CB 2.646 44.359 42.059 -0.577 0.000 1.132 190 L HN 0.543 8.541 8.230 -0.214 0.104 0.486 191 Y N -3.037 117.158 120.300 -0.176 0.000 2.504 191 Y HA 0.274 nan 4.550 nan 0.000 0.344 191 Y C -2.131 173.737 175.900 -0.054 0.000 1.023 191 Y CA -0.811 57.251 58.100 -0.065 0.000 1.020 191 Y CB 4.219 42.699 38.460 0.033 0.000 1.282 191 Y HN -0.706 7.541 8.280 -0.054 0.000 0.454 192 R N -0.718 119.857 120.500 0.126 0.000 2.771 192 R HA 0.607 nan 4.340 nan 0.000 0.274 192 R C -1.834 174.503 176.300 0.062 0.000 0.987 192 R CA -2.202 53.934 56.100 0.059 0.000 0.908 192 R CB 2.531 32.846 30.300 0.027 0.000 1.213 192 R HN 0.328 8.676 8.270 0.131 0.000 0.468 193 I N 1.164 121.724 120.570 -0.017 0.000 2.416 193 I HA 0.234 nan 4.170 nan 0.000 0.288 193 I C -0.195 175.851 176.117 -0.119 0.000 1.051 193 I CA 0.568 61.791 61.300 -0.129 0.000 1.375 193 I CB 0.314 38.183 38.000 -0.219 0.000 1.407 193 I HN 0.477 8.669 8.210 -0.030 0.000 0.516 194 K N 6.437 126.779 120.400 -0.097 0.000 2.637 194 K HA 0.238 nan 4.320 nan 0.000 0.248 194 K C -0.722 175.909 176.600 0.052 0.000 0.971 194 K CA -0.759 55.550 56.287 0.036 0.000 0.858 194 K CB 2.525 35.131 32.500 0.177 0.000 1.170 194 K HN 0.788 8.864 8.250 -0.099 0.114 0.443 195 F N 5.833 125.899 119.950 0.193 0.000 2.626 195 F HA -0.016 nan 4.527 nan 0.000 0.353 195 F C -0.912 174.985 175.800 0.162 0.000 1.230 195 F CA -0.527 57.574 58.000 0.169 0.000 1.298 195 F CB -1.121 37.945 39.000 0.109 0.000 1.670 195 F HN -0.152 8.471 8.300 0.159 -0.227 0.633 196 A N 3.081 126.101 122.820 0.334 0.000 2.422 196 A HA 0.348 nan 4.320 nan 0.000 0.302 196 A C -2.209 175.528 177.584 0.255 0.000 1.041 196 A CA -1.245 50.928 52.037 0.227 0.000 0.708 196 A CB 2.606 21.679 19.000 0.122 0.000 1.257 196 A HN -0.632 7.722 8.150 0.405 0.039 0.414 197 E N 2.156 122.474 120.200 0.197 0.000 2.366 197 E HA -0.203 nan 4.350 nan 0.000 0.266 197 E C -0.932 175.788 176.600 0.200 0.000 1.015 197 E CA 0.005 56.526 56.400 0.203 0.000 0.906 197 E CB 0.434 30.216 29.700 0.135 0.000 0.979 197 E HN 0.329 8.785 8.360 0.160 0.000 0.443 198 H N 7.231 126.405 119.070 0.173 0.000 2.487 198 H HA 0.206 nan 4.556 nan 0.000 0.333 198 H C 0.378 175.727 175.328 0.034 0.000 1.114 198 H CA -0.746 55.360 56.048 0.096 0.000 1.310 198 H CB 2.611 32.516 29.762 0.239 0.000 1.462 198 H HN 0.789 9.209 8.280 0.409 0.105 0.516 199 H N 2.681 121.562 119.070 -0.314 0.000 2.561 199 H HA -0.124 nan 4.556 nan 0.000 0.278 199 H C 0.207 175.520 175.328 -0.027 0.000 1.014 199 H CA 1.788 57.748 56.048 -0.147 0.000 1.211 199 H CB -0.397 29.239 29.762 -0.209 0.000 1.365 199 H HN 0.564 8.377 8.280 -0.777 0.000 0.594 200 Q N -3.142 116.667 119.800 0.014 0.000 2.580 200 Q HA 0.189 nan 4.340 nan 0.000 0.239 200 Q C 1.277 177.323 176.000 0.077 0.000 0.873 200 Q CA 1.121 56.924 55.803 -0.001 0.000 0.951 200 Q CB 2.300 30.934 28.738 -0.173 0.000 1.172 200 Q HN -0.326 8.030 8.270 0.282 0.083 0.616 201 T N -5.086 109.608 114.554 0.233 0.000 3.188 201 T HA 0.313 nan 4.350 nan 0.000 0.250 201 T C 0.845 175.680 174.700 0.225 0.000 1.077 201 T CA -0.148 62.073 62.100 0.202 0.000 0.967 201 T CB 1.255 70.326 68.868 0.338 0.000 1.006 201 T HN -0.419 8.142 8.240 0.535 0.000 0.552 202 G N 3.086 112.014 108.800 0.213 0.000 2.672 202 G HA2 -0.577 nan 3.960 nan 0.000 0.332 202 G HA3 -0.577 nan 3.960 nan 0.000 0.332 202 G C -0.826 174.199 174.900 0.210 0.000 1.213 202 G CA 2.247 47.449 45.100 0.169 0.000 0.980 202 G HN 0.077 8.422 8.290 0.214 0.074 0.548 203 N N 2.094 120.878 118.700 0.140 0.000 2.235 203 N HA 0.128 nan 4.740 nan 0.000 0.231 203 N C 0.335 175.880 175.510 0.059 0.000 1.177 203 N CA -0.436 52.698 53.050 0.139 0.000 0.874 203 N CB -0.210 38.335 38.487 0.096 0.000 1.097 203 N HN -0.227 8.209 8.380 0.092 0.000 0.518 204 K N 1.147 121.555 120.400 0.013 0.000 2.103 204 K HA -0.250 nan 4.320 nan 0.000 0.207 204 K C -0.199 176.149 176.600 -0.420 0.000 1.048 204 K CA 3.151 59.300 56.287 -0.230 0.000 0.930 204 K CB 0.353 32.697 32.500 -0.260 0.000 0.716 204 K HN -0.123 8.115 8.250 0.094 0.069 0.444 205 W N -4.006 117.243 121.300 -0.084 0.000 2.689 205 W HA 0.064 nan 4.660 nan 0.000 0.340 205 W C -0.692 175.648 176.519 -0.298 0.000 1.060 205 W CA -1.308 55.859 57.345 -0.297 0.000 1.218 205 W CB 2.358 31.462 29.460 -0.592 0.000 1.410 205 W HN -0.584 7.727 8.180 0.240 0.013 0.528 206 C N -2.813 116.427 119.300 -0.099 0.000 3.642 206 C HA 0.296 nan 4.460 nan 0.000 0.305 206 C C -1.386 173.440 174.990 -0.273 0.000 1.492 206 C CA -1.403 57.541 59.018 -0.122 0.000 1.809 206 C CB 1.086 28.805 27.740 -0.036 0.000 2.639 206 C HN 0.590 8.781 8.230 -0.064 0.000 0.672 207 I N -3.135 117.242 120.570 -0.323 0.000 2.406 207 I HA 0.686 nan 4.170 nan 0.000 0.290 207 I C -2.045 173.838 176.117 -0.390 0.000 0.999 207 I CA -1.609 59.585 61.300 -0.176 0.000 1.124 207 I CB 2.462 40.432 38.000 -0.050 0.000 1.289 207 I HN -0.982 7.067 8.210 -0.269 0.000 0.441 208 Y N 4.638 124.927 120.300 -0.019 0.000 2.409 208 Y HA 0.492 nan 4.550 nan 0.000 0.343 208 Y C -1.584 174.120 175.900 -0.327 0.000 0.973 208 Y CA -2.857 55.093 58.100 -0.250 0.000 1.064 208 Y CB 2.500 40.859 38.460 -0.168 0.000 1.207 208 Y HN 0.517 8.897 8.280 0.167 0.000 0.452 209 P HA 0.139 nan 4.420 nan 0.000 0.275 209 P C -1.293 175.912 177.300 -0.158 0.000 1.228 209 P CA -0.246 62.511 63.100 -0.573 0.000 0.786 209 P CB 0.670 32.152 31.700 -0.364 0.000 0.927 210 M N 1.188 120.721 119.600 -0.113 0.000 2.227 210 M HA 0.070 nan 4.480 nan 0.000 0.316 210 M C 1.199 177.563 176.300 0.106 0.000 1.144 210 M CA -1.367 53.953 55.300 0.032 0.000 1.121 210 M CB 0.128 32.746 32.600 0.029 0.000 1.440 210 M HN -0.299 7.864 8.290 -0.211 0.000 0.473 211 Y N 2.613 122.948 120.300 0.059 0.000 2.053 211 Y HA -0.542 nan 4.550 nan 0.000 0.277 211 Y C 1.414 177.360 175.900 0.076 0.000 1.159 211 Y CA 4.792 62.934 58.100 0.070 0.000 1.125 211 Y CB -0.246 38.252 38.460 0.062 0.000 0.969 211 Y HN 0.330 8.776 8.280 0.278 0.000 0.492 212 D N -1.864 118.545 120.400 0.014 0.000 2.149 212 D HA -0.408 nan 4.640 nan 0.000 0.198 212 D C 2.428 178.688 176.300 -0.067 0.000 0.990 212 D CA 3.700 57.648 54.000 -0.087 0.000 0.839 212 D CB -0.699 40.187 40.800 0.142 0.000 0.948 212 D HN 0.207 8.759 8.370 0.303 0.000 0.460 213 F N 0.349 120.205 119.950 -0.157 0.000 2.163 213 F HA -0.147 nan 4.527 nan 0.000 0.297 213 F C 1.100 176.776 175.800 -0.205 0.000 1.094 213 F CA 2.523 60.426 58.000 -0.161 0.000 1.290 213 F CB 0.225 39.134 39.000 -0.152 0.000 1.017 213 F HN -0.861 7.531 8.300 0.154 0.000 0.483 214 T N 2.541 116.969 114.554 -0.210 0.000 2.737 214 T HA -0.341 nan 4.350 nan 0.000 0.265 214 T C 2.063 176.565 174.700 -0.331 0.000 1.038 214 T CA 5.177 67.123 62.100 -0.256 0.000 1.144 214 T CB -0.549 68.287 68.868 -0.054 0.000 0.866 214 T HN -0.106 8.101 8.240 -0.055 0.000 0.434 215 H N 1.791 120.568 119.070 -0.488 0.000 2.353 215 H HA -0.239 nan 4.556 nan 0.000 0.300 215 H C 1.864 176.892 175.328 -0.501 0.000 1.090 215 H CA 4.566 60.320 56.048 -0.490 0.000 1.327 215 H CB 0.462 29.795 29.762 -0.714 0.000 1.383 215 H HN 0.137 8.191 8.280 -0.377 0.000 0.508 216 C N -3.625 115.308 119.300 -0.611 0.000 2.486 216 C HA -0.078 nan 4.460 nan 0.000 0.279 216 C C 1.745 176.284 174.990 -0.753 0.000 1.302 216 C CA 1.958 60.368 59.018 -1.014 0.000 1.720 216 C CB -0.863 26.060 27.740 -1.362 0.000 2.030 216 C HN -0.452 7.449 8.230 -0.548 0.000 0.490 217 I N 1.778 121.939 120.570 -0.683 0.000 2.226 217 I HA -0.611 nan 4.170 nan 0.000 0.245 217 I C 1.897 177.670 176.117 -0.573 0.000 1.100 217 I CA 4.184 65.105 61.300 -0.633 0.000 1.374 217 I CB -0.352 37.244 38.000 -0.673 0.000 1.057 217 I HN -0.714 7.087 8.210 -0.683 0.000 0.413 218 S N 0.534 115.893 115.700 -0.568 0.000 2.368 218 S HA -0.406 nan 4.470 nan 0.000 0.225 218 S C 2.144 176.419 174.600 -0.541 0.000 1.030 218 S CA 3.843 61.663 58.200 -0.633 0.000 0.999 218 S CB -0.321 62.638 63.200 -0.403 0.000 0.844 218 S HN 0.037 8.030 8.310 -0.528 0.000 0.459 219 D N 1.854 121.964 120.400 -0.483 0.000 2.117 219 D HA -0.222 nan 4.640 nan 0.000 0.197 219 D C 1.872 177.977 176.300 -0.325 0.000 0.987 219 D CA 3.163 56.947 54.000 -0.360 0.000 0.829 219 D CB -0.312 40.349 40.800 -0.232 0.000 0.961 219 D HN -0.635 7.416 8.370 -0.533 0.000 0.460 220 A N 0.033 122.635 122.820 -0.363 0.000 1.845 220 A HA -0.205 nan 4.320 nan 0.000 0.215 220 A C 2.833 180.250 177.584 -0.277 0.000 1.195 220 A CA 3.074 54.930 52.037 -0.302 0.000 0.616 220 A CB -0.534 18.254 19.000 -0.353 0.000 0.832 220 A HN -0.097 7.790 8.150 -0.440 0.000 0.443 221 L N -3.284 117.729 121.223 -0.350 0.000 2.081 221 L HA -0.357 nan 4.340 nan 0.000 0.212 221 L C 1.979 178.694 176.870 -0.258 0.000 1.080 221 L CA 2.844 57.495 54.840 -0.316 0.000 0.754 221 L CB -0.221 41.538 42.059 -0.500 0.000 0.893 221 L HN 0.036 8.009 8.230 -0.428 0.000 0.433 222 E N -5.000 115.017 120.200 -0.305 0.000 2.481 222 E HA -0.012 nan 4.350 nan 0.000 0.195 222 E C 0.458 176.876 176.600 -0.303 0.000 1.047 222 E CA -0.042 56.206 56.400 -0.254 0.000 0.867 222 E CB 0.921 30.459 29.700 -0.271 0.000 0.858 222 E HN -0.495 7.543 8.360 -0.374 0.097 0.513 223 G N -0.940 107.710 108.800 -0.249 0.000 2.198 223 G HA2 -0.328 nan 3.960 nan 0.000 0.257 223 G HA3 -0.328 nan 3.960 nan 0.000 0.257 223 G C -0.106 174.637 174.900 -0.260 0.000 1.042 223 G CA 0.200 45.187 45.100 -0.188 0.000 0.791 223 G HN -0.217 7.740 8.290 -0.240 0.189 0.502 224 I N 0.919 121.304 120.570 -0.307 0.000 2.556 224 I HA -0.150 nan 4.170 nan 0.000 0.284 224 I C 0.377 176.423 176.117 -0.119 0.000 1.114 224 I CA -0.129 61.022 61.300 -0.250 0.000 1.418 224 I CB -0.534 37.347 38.000 -0.199 0.000 1.394 224 I HN -0.098 7.936 8.210 -0.293 0.000 0.552 225 T N 2.352 116.860 114.554 -0.077 0.000 3.044 225 T HA 0.065 nan 4.350 nan 0.000 0.255 225 T C 0.194 174.677 174.700 -0.363 0.000 1.073 225 T CA 0.617 62.568 62.100 -0.249 0.000 1.125 225 T CB 1.191 69.800 68.868 -0.433 0.000 0.908 225 T HN 0.778 8.894 8.240 0.004 0.126 0.480 226 H N 1.696 120.732 119.070 -0.056 0.000 3.108 226 H HA 0.360 nan 4.556 nan 0.000 0.329 226 H C -1.670 173.683 175.328 0.042 0.000 0.978 226 H CA -1.323 54.755 56.048 0.051 0.000 1.413 226 H CB 1.595 31.378 29.762 0.036 0.000 1.670 226 H HN -0.699 7.661 8.280 0.133 0.000 0.512 227 S N 5.515 121.284 115.700 0.116 0.000 2.416 227 S HA 0.225 nan 4.470 nan 0.000 0.287 227 S C -1.574 173.096 174.600 0.117 0.000 1.139 227 S CA -0.097 58.156 58.200 0.088 0.000 1.058 227 S CB 0.206 63.430 63.200 0.039 0.000 0.967 227 S HN 0.796 9.025 8.310 0.050 0.112 0.495 228 L N 5.386 126.709 121.223 0.166 0.000 2.296 228 L HA 0.741 nan 4.340 nan 0.000 0.286 228 L C -1.004 176.053 176.870 0.312 0.000 1.023 228 L CA -1.181 53.820 54.840 0.269 0.000 0.812 228 L CB 0.903 43.101 42.059 0.231 0.000 1.223 228 L HN 0.170 8.486 8.230 0.144 0.000 0.421 229 C N -0.711 118.737 119.300 0.247 0.000 3.316 229 C HA 0.531 nan 4.460 nan 0.000 0.360 229 C C -1.179 173.642 174.990 -0.281 0.000 1.560 229 C CA -1.965 57.083 59.018 0.051 0.000 1.229 229 C CB 2.157 29.857 27.740 -0.068 0.000 1.823 229 C HN 0.512 8.881 8.230 0.232 0.000 0.440 230 T N -2.499 111.922 114.554 -0.221 0.000 2.849 230 T HA 0.282 nan 4.350 nan 0.000 0.284 230 T C 1.479 176.117 174.700 -0.104 0.000 1.004 230 T CA -0.744 61.147 62.100 -0.349 0.000 1.021 230 T CB 1.262 69.963 68.868 -0.277 0.000 1.013 230 T HN 0.010 8.269 8.240 0.032 0.000 0.527 231 L N 1.827 122.954 121.223 -0.159 0.000 2.103 231 L HA -0.427 nan 4.340 nan 0.000 0.215 231 L C 1.584 178.380 176.870 -0.123 0.000 1.080 231 L CA 3.525 58.311 54.840 -0.091 0.000 0.764 231 L CB -0.644 41.365 42.059 -0.083 0.000 0.890 231 L HN 0.055 8.149 8.230 -0.227 0.000 0.435 232 E N -1.940 118.106 120.200 -0.257 0.000 2.331 232 E HA -0.303 nan 4.350 nan 0.000 0.199 232 E C 1.807 178.135 176.600 -0.452 0.000 1.008 232 E CA 2.868 59.030 56.400 -0.397 0.000 0.843 232 E CB -0.974 28.363 29.700 -0.604 0.000 0.761 232 E HN 0.276 8.480 8.360 -0.259 0.000 0.507 233 F N -2.327 117.580 119.950 -0.072 0.000 2.732 233 F HA 0.137 nan 4.527 nan 0.000 0.303 233 F C 0.848 176.637 175.800 -0.019 0.000 1.110 233 F CA 0.193 58.168 58.000 -0.041 0.000 1.355 233 F CB -0.728 38.241 39.000 -0.052 0.000 1.081 233 F HN -0.373 7.801 8.300 -0.101 0.065 0.565 234 Q N 0.407 120.262 119.800 0.092 0.000 2.084 234 Q HA -0.392 nan 4.340 nan 0.000 0.202 234 Q C 2.243 178.300 176.000 0.095 0.000 0.978 234 Q CA 3.968 59.819 55.803 0.079 0.000 0.844 234 Q CB -0.375 28.399 28.738 0.060 0.000 0.898 234 Q HN -0.200 8.026 8.270 0.029 0.062 0.426 235 D N -1.099 119.373 120.400 0.119 0.000 2.097 235 D HA -0.203 nan 4.640 nan 0.000 0.197 235 D C 2.178 178.536 176.300 0.097 0.000 0.984 235 D CA 3.314 57.428 54.000 0.191 0.000 0.826 235 D CB -0.590 40.345 40.800 0.226 0.000 0.973 235 D HN 0.192 8.612 8.370 0.084 0.000 0.460 236 N N 0.303 119.086 118.700 0.139 0.000 2.192 236 N HA -0.330 nan 4.740 nan 0.000 0.188 236 N C 1.631 177.222 175.510 0.134 0.000 1.013 236 N CA 3.011 56.172 53.050 0.186 0.000 0.863 236 N CB -0.225 38.492 38.487 0.384 0.000 0.990 236 N HN 0.016 8.483 8.380 0.145 0.000 0.430 237 R N 0.151 120.697 120.500 0.077 0.000 2.154 237 R HA -0.481 nan 4.340 nan 0.000 0.248 237 R C 1.847 178.156 176.300 0.015 0.000 1.155 237 R CA 3.398 59.498 56.100 0.000 0.000 0.979 237 R CB -0.170 30.083 30.300 -0.077 0.000 0.869 237 R HN -0.027 8.177 8.270 0.090 0.121 0.452 238 R N -2.013 118.434 120.500 -0.088 0.000 2.096 238 R HA -0.278 nan 4.340 nan 0.000 0.235 238 R C 2.671 178.978 176.300 0.011 0.000 1.127 238 R CA 2.651 58.656 56.100 -0.159 0.000 0.968 238 R CB -0.902 29.066 30.300 -0.553 0.000 0.861 238 R HN -0.281 7.790 8.270 -0.126 0.123 0.440 239 L N -0.319 120.936 121.223 0.054 0.000 2.109 239 L HA -0.236 nan 4.340 nan 0.000 0.207 239 L C 0.802 177.799 176.870 0.210 0.000 1.086 239 L CA 2.269 57.193 54.840 0.139 0.000 0.760 239 L CB -0.727 41.391 42.059 0.100 0.000 0.910 239 L HN -0.136 8.001 8.230 0.029 0.111 0.437 240 Y N 0.729 121.046 120.300 0.027 0.000 2.030 240 Y HA -0.663 nan 4.550 nan 0.000 0.274 240 Y C 1.374 177.239 175.900 -0.058 0.000 1.153 240 Y CA 4.654 62.730 58.100 -0.039 0.000 1.115 240 Y CB -0.242 38.189 38.460 -0.048 0.000 0.969 240 Y HN -0.160 8.197 8.280 0.255 0.075 0.488 241 D N -2.350 118.230 120.400 0.300 0.000 2.123 241 D HA -0.410 nan 4.640 nan 0.000 0.196 241 D C 2.095 178.468 176.300 0.122 0.000 0.992 241 D CA 3.321 57.459 54.000 0.230 0.000 0.833 241 D CB -0.639 40.324 40.800 0.271 0.000 0.954 241 D HN -0.257 8.308 8.370 0.324 0.000 0.455 242 W N 0.741 122.035 121.300 -0.011 0.000 2.335 242 W HA -0.415 nan 4.660 nan 0.000 0.311 242 W C 1.938 178.418 176.519 -0.064 0.000 1.213 242 W CA 4.300 61.628 57.345 -0.030 0.000 1.274 242 W CB 0.221 29.664 29.460 -0.028 0.000 1.148 242 W HN -0.304 7.991 8.180 0.306 0.069 0.498 243 V N -0.806 119.146 119.914 0.064 0.000 2.237 243 V HA -0.595 nan 4.120 nan 0.000 0.245 243 V C 2.093 177.945 176.094 -0.402 0.000 1.046 243 V CA 4.856 67.058 62.300 -0.164 0.000 1.007 243 V CB -0.860 30.952 31.823 -0.019 0.000 0.638 243 V HN 0.265 8.591 8.190 0.227 0.000 0.445 244 L N -2.528 118.435 121.223 -0.433 0.000 2.187 244 L HA -0.419 nan 4.340 nan 0.000 0.213 244 L C 2.727 179.368 176.870 -0.382 0.000 1.100 244 L CA 2.813 57.338 54.840 -0.525 0.000 0.765 244 L CB -0.941 40.623 42.059 -0.826 0.000 0.904 244 L HN -0.323 7.669 8.230 -0.397 0.000 0.437 245 D N -2.330 117.883 120.400 -0.313 0.000 2.347 245 D HA -0.084 nan 4.640 nan 0.000 0.213 245 D C 0.791 176.899 176.300 -0.320 0.000 0.985 245 D CA 1.936 55.798 54.000 -0.230 0.000 0.879 245 D CB -0.152 40.557 40.800 -0.153 0.000 0.919 245 D HN -0.026 8.015 8.370 -0.320 0.138 0.526 246 N N -2.274 116.143 118.700 -0.472 0.000 2.338 246 N HA 0.213 nan 4.740 nan 0.000 0.251 246 N C -1.360 173.968 175.510 -0.303 0.000 1.199 246 N CA -0.168 52.618 53.050 -0.440 0.000 0.879 246 N CB 1.578 39.629 38.487 -0.727 0.000 1.159 246 N HN 0.039 7.931 8.380 -0.542 0.162 0.514 247 I N -5.919 114.489 120.570 -0.271 0.000 2.994 247 I HA 0.375 nan 4.170 nan 0.000 0.306 247 I C -1.571 174.460 176.117 -0.144 0.000 1.195 247 I CA -2.049 59.136 61.300 -0.191 0.000 1.001 247 I CB 3.214 40.984 38.000 -0.383 0.000 1.244 247 I HN -0.830 7.201 8.210 -0.299 0.000 0.437 248 T N 5.577 120.140 114.554 0.015 0.000 2.775 248 T HA 0.129 nan 4.350 nan 0.000 0.287 248 T C -1.096 173.625 174.700 0.035 0.000 0.909 248 T CA 1.897 64.014 62.100 0.030 0.000 1.081 248 T CB -1.027 67.887 68.868 0.076 0.000 0.891 248 T HN 0.197 8.951 8.240 0.131 -0.436 0.544 249 I N 6.824 127.346 120.570 -0.080 0.000 2.722 249 I HA 0.460 nan 4.170 nan 0.000 0.295 249 I C -2.234 173.835 176.117 -0.080 0.000 1.161 249 I CA -3.202 58.035 61.300 -0.105 0.000 1.032 249 I CB 3.133 40.965 38.000 -0.280 0.000 1.244 249 I HN -0.354 7.797 8.210 -0.099 0.000 0.421 250 P HA 0.204 nan 4.420 nan 0.000 0.261 250 P C -1.744 175.536 177.300 -0.032 0.000 1.268 250 P CA 0.086 63.164 63.100 -0.037 0.000 0.833 250 P CB 0.423 32.110 31.700 -0.022 0.000 1.231 251 V N -5.481 114.403 119.914 -0.049 0.000 3.078 251 V HA 0.468 nan 4.120 nan 0.000 0.311 251 V C -2.222 173.873 176.094 0.002 0.000 1.138 251 V CA -1.835 60.457 62.300 -0.015 0.000 1.007 251 V CB 3.905 35.713 31.823 -0.025 0.000 1.045 251 V HN -0.299 7.797 8.190 -0.086 0.042 0.432 252 H N 1.420 120.450 119.070 -0.067 0.000 2.761 252 H HA 0.426 nan 4.556 nan 0.000 0.263 252 H C -2.767 172.553 175.328 -0.014 0.000 1.292 252 H CA -2.961 53.050 56.048 -0.062 0.000 1.540 252 H CB 1.828 31.555 29.762 -0.059 0.000 1.569 252 H HN 0.306 8.655 8.280 0.115 0.000 0.510 253 P HA -0.144 nan 4.420 nan 0.000 0.267 253 P C -1.255 176.192 177.300 0.245 0.000 1.201 253 P CA 0.092 63.283 63.100 0.153 0.000 0.775 253 P CB 0.637 32.405 31.700 0.113 0.000 0.854 254 R N 0.706 121.206 120.500 0.000 0.000 2.460 254 R HA 0.319 nan 4.340 nan 0.000 0.303 254 R C -1.147 174.904 176.300 -0.414 0.000 0.968 254 R CA -2.576 53.397 56.100 -0.212 0.000 0.889 254 R CB 1.843 31.989 30.300 -0.257 0.000 1.123 254 R HN -0.023 8.210 8.270 -0.060 0.000 0.455 255 Q N 3.830 123.238 119.800 -0.653 0.000 2.241 255 Q HA 0.485 nan 4.340 nan 0.000 0.254 255 Q C -1.411 174.222 176.000 -0.611 0.000 0.917 255 Q CA -0.505 54.958 55.803 -0.565 0.000 0.919 255 Q CB 1.903 30.221 28.738 -0.700 0.000 1.237 255 Q HN 0.274 8.153 8.270 -0.651 0.000 0.434 256 Y N 4.977 125.287 120.300 0.016 0.000 2.477 256 Y HA 0.254 nan 4.550 nan 0.000 0.347 256 Y C -1.998 174.013 175.900 0.186 0.000 0.981 256 Y CA -1.492 56.676 58.100 0.115 0.000 1.033 256 Y CB 4.210 42.728 38.460 0.096 0.000 1.245 256 Y HN 0.907 9.234 8.280 0.078 0.000 0.455 257 E N 1.921 122.366 120.200 0.409 0.000 2.212 257 E HA 0.678 nan 4.350 nan 0.000 0.268 257 E C -1.204 175.700 176.600 0.507 0.000 0.902 257 E CA -1.213 55.372 56.400 0.307 0.000 0.779 257 E CB 2.668 32.457 29.700 0.148 0.000 1.172 257 E HN 0.078 8.715 8.360 0.461 0.000 0.409 258 F N 0.015 120.154 119.950 0.315 0.000 2.593 258 F HA 0.780 nan 4.527 nan 0.000 0.320 258 F C -1.228 174.676 175.800 0.172 0.000 1.060 258 F CA -2.695 55.508 58.000 0.339 0.000 0.940 258 F CB 3.357 42.544 39.000 0.311 0.000 1.268 258 F HN 0.321 8.427 8.300 -0.323 0.000 0.475 259 S N 0.156 115.967 115.700 0.184 0.000 2.576 259 S HA 0.136 nan 4.470 nan 0.000 0.276 259 S C -0.643 173.994 174.600 0.061 0.000 1.339 259 S CA -0.412 57.813 58.200 0.041 0.000 1.039 259 S CB 1.395 64.630 63.200 0.059 0.000 0.902 259 S HN 0.735 9.127 8.310 0.311 0.104 0.516 260 R N -0.174 120.312 120.500 -0.023 0.000 2.577 260 R HA 0.015 nan 4.340 nan 0.000 0.269 260 R C -1.246 175.087 176.300 0.055 0.000 1.084 260 R CA -0.820 55.293 56.100 0.023 0.000 1.163 260 R CB 1.106 31.390 30.300 -0.028 0.000 1.100 260 R HN -0.075 8.162 8.270 -0.055 0.000 0.547 261 L N -0.238 121.032 121.223 0.079 0.000 2.331 261 L HA 0.070 nan 4.340 nan 0.000 0.278 261 L C -0.965 175.923 176.870 0.030 0.000 1.106 261 L CA -0.246 54.634 54.840 0.067 0.000 0.824 261 L CB 0.626 42.746 42.059 0.101 0.000 1.142 261 L HN 0.046 8.340 8.230 0.105 0.000 0.443 262 N N 7.003 125.718 118.700 0.025 0.000 2.314 262 N HA 0.270 nan 4.740 nan 0.000 0.294 262 N C -2.235 173.293 175.510 0.029 0.000 1.029 262 N CA -0.923 52.123 53.050 -0.007 0.000 0.845 262 N CB 2.878 41.347 38.487 -0.031 0.000 1.321 262 N HN -0.073 8.330 8.380 0.038 0.000 0.481 263 L N 1.751 122.984 121.223 0.017 0.000 2.346 263 L HA 0.453 nan 4.340 nan 0.000 0.276 263 L C -1.157 175.722 176.870 0.015 0.000 1.006 263 L CA -1.542 53.332 54.840 0.056 0.000 0.817 263 L CB 3.254 45.354 42.059 0.067 0.000 1.272 263 L HN 0.456 8.673 8.230 -0.022 0.000 0.421 264 E N 4.140 124.357 120.200 0.028 0.000 2.398 264 E HA -0.303 nan 4.350 nan 0.000 0.263 264 E C -0.393 176.237 176.600 0.049 0.000 1.046 264 E CA 0.952 57.313 56.400 -0.064 0.000 0.908 264 E CB 0.683 30.367 29.700 -0.026 0.000 0.963 264 E HN 0.101 8.501 8.360 0.067 0.000 0.431 265 Y N -1.406 118.924 120.300 0.050 0.000 4.851 265 Y HA -0.447 nan 4.550 nan 0.000 0.235 265 Y C -1.670 174.351 175.900 0.203 0.000 0.998 265 Y CA 1.649 59.821 58.100 0.121 0.000 1.980 265 Y CB -2.143 36.392 38.460 0.125 0.000 1.561 265 Y HN 0.600 8.469 8.280 -0.466 0.131 0.585 266 T N -3.633 111.021 114.554 0.167 0.000 2.896 266 T HA 0.243 nan 4.350 nan 0.000 0.297 266 T C -1.757 172.912 174.700 -0.051 0.000 1.108 266 T CA -1.976 60.228 62.100 0.174 0.000 1.004 266 T CB 2.607 71.562 68.868 0.144 0.000 1.159 266 T HN -0.847 7.366 8.240 0.047 0.056 0.499 267 V N -1.410 118.470 119.914 -0.055 0.000 2.483 267 V HA 0.507 nan 4.120 nan 0.000 0.295 267 V C -0.658 175.351 176.094 -0.142 0.000 1.035 267 V CA -1.669 60.520 62.300 -0.185 0.000 0.896 267 V CB 1.233 32.880 31.823 -0.292 0.000 0.986 267 V HN 0.287 8.568 8.190 0.151 0.000 0.447 268 M N 3.058 122.528 119.600 -0.216 0.000 2.567 268 M HA 0.123 nan 4.480 nan 0.000 0.261 268 M C 0.482 176.687 176.300 -0.158 0.000 1.180 268 M CA -0.323 54.766 55.300 -0.352 0.000 1.143 268 M CB 0.786 33.124 32.600 -0.437 0.000 1.319 268 M HN 0.256 8.417 8.290 -0.215 0.000 0.490 269 S N 1.212 116.844 115.700 -0.114 0.000 2.737 269 S HA -0.185 nan 4.470 nan 0.000 0.315 269 S C 0.956 175.593 174.600 0.062 0.000 1.236 269 S CA 0.556 58.732 58.200 -0.040 0.000 1.093 269 S CB 0.545 63.664 63.200 -0.136 0.000 0.832 269 S HN -0.356 7.851 8.310 -0.173 0.000 0.507 270 K N 7.922 128.426 120.400 0.173 0.000 2.280 270 K HA -0.328 nan 4.320 nan 0.000 0.202 270 K C 2.144 178.863 176.600 0.198 0.000 1.047 270 K CA 3.166 59.613 56.287 0.266 0.000 0.942 270 K CB -0.251 32.412 32.500 0.272 0.000 0.739 270 K HN 0.706 9.060 8.250 0.173 0.000 0.457 271 R N -0.579 119.980 120.500 0.098 0.000 2.073 271 R HA -0.271 nan 4.340 nan 0.000 0.234 271 R C 2.045 178.381 176.300 0.059 0.000 1.134 271 R CA 2.854 58.997 56.100 0.072 0.000 0.952 271 R CB -0.442 29.870 30.300 0.021 0.000 0.850 271 R HN -0.348 7.935 8.270 0.068 0.028 0.433 272 K N -0.688 119.698 120.400 -0.024 0.000 2.025 272 K HA -0.250 nan 4.320 nan 0.000 0.207 272 K C 2.404 179.070 176.600 0.110 0.000 1.049 272 K CA 3.195 59.448 56.287 -0.056 0.000 0.933 272 K CB -0.063 32.139 32.500 -0.497 0.000 0.714 272 K HN -0.400 7.726 8.250 -0.058 0.089 0.438 273 L N -1.812 119.446 121.223 0.058 0.000 2.127 273 L HA -0.466 nan 4.340 nan 0.000 0.211 273 L C 1.911 178.605 176.870 -0.294 0.000 1.089 273 L CA 2.941 57.766 54.840 -0.026 0.000 0.757 273 L CB -0.674 41.446 42.059 0.101 0.000 0.899 273 L HN 0.101 8.364 8.230 0.054 0.000 0.434 274 N N -1.467 117.158 118.700 -0.126 0.000 2.244 274 N HA -0.268 nan 4.740 nan 0.000 0.183 274 N C 1.772 177.219 175.510 -0.104 0.000 1.016 274 N CA 3.193 56.148 53.050 -0.159 0.000 0.866 274 N CB 0.085 38.674 38.487 0.170 0.000 0.980 274 N HN -0.098 8.110 8.380 0.059 0.207 0.430 275 L N 0.552 121.793 121.223 0.031 0.000 2.027 275 L HA -0.248 nan 4.340 nan 0.000 0.206 275 L C 1.159 178.039 176.870 0.018 0.000 1.074 275 L CA 3.010 57.900 54.840 0.084 0.000 0.745 275 L CB -0.218 41.995 42.059 0.257 0.000 0.898 275 L HN -0.276 7.862 8.230 0.086 0.144 0.433 276 L N -1.828 119.424 121.223 0.049 0.000 2.043 276 L HA -0.533 nan 4.340 nan 0.000 0.212 276 L C 2.133 178.906 176.870 -0.162 0.000 1.075 276 L CA 3.670 58.515 54.840 0.008 0.000 0.752 276 L CB -0.871 41.207 42.059 0.032 0.000 0.891 276 L HN -0.310 7.992 8.230 0.122 0.000 0.432 277 V N -2.036 117.695 119.914 -0.305 0.000 2.323 277 V HA -0.403 nan 4.120 nan 0.000 0.244 277 V C 3.085 179.037 176.094 -0.237 0.000 1.041 277 V CA 4.509 66.582 62.300 -0.379 0.000 1.025 277 V CB -0.976 30.393 31.823 -0.756 0.000 0.656 277 V HN -0.349 7.619 8.190 -0.365 0.004 0.451 278 T N 1.805 116.253 114.554 -0.176 0.000 2.746 278 T HA -0.248 nan 4.350 nan 0.000 0.267 278 T C 1.261 175.880 174.700 -0.135 0.000 1.039 278 T CA 4.053 66.096 62.100 -0.095 0.000 1.142 278 T CB -0.232 68.617 68.868 -0.031 0.000 0.866 278 T HN 0.196 8.323 8.240 -0.189 0.000 0.444 279 D N -1.513 118.764 120.400 -0.205 0.000 2.319 279 D HA 0.087 nan 4.640 nan 0.000 0.230 279 D C -0.507 175.469 176.300 -0.538 0.000 1.094 279 D CA -0.219 53.575 54.000 -0.344 0.000 0.856 279 D CB 0.058 40.631 40.800 -0.378 0.000 0.915 279 D HN -0.034 8.229 8.370 -0.178 0.000 0.517 280 K N -5.022 115.175 120.400 -0.338 0.000 3.020 280 K HA -0.446 nan 4.320 nan 0.000 0.266 280 K C 0.605 177.042 176.600 -0.272 0.000 1.067 280 K CA 1.420 57.552 56.287 -0.258 0.000 0.780 280 K CB -3.174 29.219 32.500 -0.177 0.000 1.220 280 K HN -0.405 7.468 8.250 -0.252 0.226 0.483 281 H N -4.527 114.490 119.070 -0.089 0.000 2.547 281 H HA -0.092 nan 4.556 nan 0.000 0.272 281 H C -0.557 174.714 175.328 -0.094 0.000 0.989 281 H CA 1.596 57.587 56.048 -0.095 0.000 1.214 281 H CB 0.432 30.123 29.762 -0.118 0.000 1.389 281 H HN -0.004 7.990 8.280 -0.428 0.029 0.577 282 V N -8.026 111.864 119.914 -0.039 0.000 3.160 282 V HA 0.402 nan 4.120 nan 0.000 0.310 282 V C -1.169 174.885 176.094 -0.066 0.000 1.181 282 V CA -3.543 58.728 62.300 -0.050 0.000 1.047 282 V CB 2.526 34.300 31.823 -0.082 0.000 1.068 282 V HN -0.938 7.140 8.190 -0.098 0.054 0.441 283 E N -0.170 120.008 120.200 -0.036 0.000 2.110 283 E HA -0.215 nan 4.350 nan 0.000 0.193 283 E C 0.076 176.639 176.600 -0.061 0.000 0.988 283 E CA 2.017 58.403 56.400 -0.023 0.000 0.804 283 E CB 0.763 30.474 29.700 0.018 0.000 0.745 283 E HN 0.000 8.667 8.360 -0.019 -0.318 0.458 284 G N -5.025 103.711 108.800 -0.105 0.000 2.313 284 G HA2 0.011 nan 3.960 nan 0.000 0.296 284 G HA3 0.011 nan 3.960 nan 0.000 0.296 284 G C -0.967 173.833 174.900 -0.167 0.000 1.356 284 G CA -0.920 44.096 45.100 -0.140 0.000 0.833 284 G HN -0.746 7.479 8.290 -0.108 0.000 0.552 285 W N -1.054 120.085 121.300 -0.267 0.000 2.321 285 W HA -0.365 nan 4.660 nan 0.000 0.285 285 W C 0.174 176.540 176.519 -0.255 0.000 1.213 285 W CA 2.949 60.072 57.345 -0.369 0.000 1.205 285 W CB 0.146 29.037 29.460 -0.949 0.000 1.134 285 W HN 0.514 8.679 8.180 -0.025 0.000 0.549 286 D N -5.569 114.836 120.400 0.008 0.000 2.491 286 D HA 0.002 nan 4.640 nan 0.000 0.228 286 D C -0.835 175.429 176.300 -0.059 0.000 1.183 286 D CA -1.417 52.581 54.000 -0.003 0.000 0.827 286 D CB -1.636 39.169 40.800 0.009 0.000 0.989 286 D HN -0.260 8.065 8.370 -0.012 0.037 0.494 287 D N 1.414 121.770 120.400 -0.073 0.000 2.414 287 D HA 0.024 nan 4.640 nan 0.000 0.242 287 D C -0.090 176.103 176.300 -0.177 0.000 1.129 287 D CA -0.988 52.949 54.000 -0.105 0.000 0.885 287 D CB 1.941 42.688 40.800 -0.088 0.000 1.198 287 D HN -0.314 7.851 8.370 -0.063 0.167 0.437 288 P HA -0.115 nan 4.420 nan 0.000 0.225 288 P C 0.633 177.671 177.300 -0.438 0.000 1.148 288 P CA 1.759 64.564 63.100 -0.492 0.000 0.779 288 P CB 0.283 31.387 31.700 -0.994 0.000 0.780 289 R N -3.997 116.308 120.500 -0.325 0.000 2.276 289 R HA 0.026 nan 4.340 nan 0.000 0.196 289 R C 0.034 176.280 176.300 -0.090 0.000 0.961 289 R CA 0.028 56.026 56.100 -0.170 0.000 1.024 289 R CB 0.026 30.269 30.300 -0.095 0.000 0.940 289 R HN -0.000 8.439 8.270 -0.292 -0.345 0.480 290 M N -0.467 119.085 119.600 -0.081 0.000 2.240 290 M HA 0.029 nan 4.480 nan 0.000 0.333 290 M C -1.481 174.820 176.300 0.002 0.000 1.110 290 M CA -2.321 52.973 55.300 -0.011 0.000 1.173 290 M CB -0.175 32.429 32.600 0.007 0.000 1.458 290 M HN -0.602 7.459 8.290 -0.116 0.160 0.458 291 P HA 0.202 nan 4.420 nan 0.000 0.257 291 P C -0.922 176.440 177.300 0.104 0.000 1.325 291 P CA -0.023 63.094 63.100 0.028 0.000 0.850 291 P CB 0.408 32.118 31.700 0.016 0.000 1.324 292 T N -3.303 111.344 114.554 0.155 0.000 2.898 292 T HA 0.139 nan 4.350 nan 0.000 0.301 292 T C 1.635 176.418 174.700 0.140 0.000 1.049 292 T CA -1.086 61.158 62.100 0.241 0.000 1.095 292 T CB 1.739 70.787 68.868 0.300 0.000 0.976 292 T HN -0.476 7.733 8.240 0.123 0.105 0.539 293 I N 3.215 123.889 120.570 0.175 0.000 2.226 293 I HA -0.403 nan 4.170 nan 0.000 0.245 293 I C 1.315 177.401 176.117 -0.052 0.000 1.100 293 I CA 2.773 64.141 61.300 0.113 0.000 1.374 293 I CB -1.364 36.746 38.000 0.184 0.000 1.057 293 I HN -0.072 8.285 8.210 0.245 0.000 0.413 294 S N -0.463 115.234 115.700 -0.005 0.000 2.383 294 S HA -0.267 nan 4.470 nan 0.000 0.227 294 S C 2.406 176.941 174.600 -0.108 0.000 1.026 294 S CA 3.349 61.486 58.200 -0.104 0.000 0.981 294 S CB -0.434 62.812 63.200 0.076 0.000 0.818 294 S HN 0.228 8.612 8.310 0.123 0.000 0.472 295 G N 2.163 110.946 108.800 -0.028 0.000 2.402 295 G HA2 -0.226 nan 3.960 nan 0.000 0.216 295 G HA3 -0.226 nan 3.960 nan 0.000 0.216 295 G C 1.037 175.879 174.900 -0.097 0.000 1.162 295 G CA 1.811 46.873 45.100 -0.063 0.000 0.777 295 G HN -0.324 7.893 8.290 0.041 0.097 0.539 296 L N 1.475 122.642 121.223 -0.094 0.000 2.042 296 L HA -0.454 nan 4.340 nan 0.000 0.210 296 L C 1.846 178.731 176.870 0.025 0.000 1.076 296 L CA 2.870 57.655 54.840 -0.092 0.000 0.749 296 L CB -0.479 41.479 42.059 -0.169 0.000 0.893 296 L HN 0.252 8.332 8.230 -0.069 0.109 0.432 297 R N -0.905 119.498 120.500 -0.162 0.000 2.082 297 R HA -0.375 nan 4.340 nan 0.000 0.234 297 R C 2.636 178.870 176.300 -0.109 0.000 1.136 297 R CA 3.592 59.522 56.100 -0.282 0.000 0.935 297 R CB -0.346 29.449 30.300 -0.842 0.000 0.842 297 R HN -0.049 7.975 8.270 -0.247 0.098 0.430 298 R N -1.059 119.360 120.500 -0.136 0.000 2.127 298 R HA -0.341 nan 4.340 nan 0.000 0.238 298 R C 1.223 177.494 176.300 -0.048 0.000 1.134 298 R CA 2.753 58.800 56.100 -0.089 0.000 0.975 298 R CB -0.244 29.992 30.300 -0.105 0.000 0.865 298 R HN -0.142 8.022 8.270 -0.177 0.000 0.447 299 R N -3.582 116.896 120.500 -0.037 0.000 2.189 299 R HA -0.164 nan 4.340 nan 0.000 0.223 299 R C 0.337 176.673 176.300 0.059 0.000 1.092 299 R CA 0.628 56.721 56.100 -0.012 0.000 0.989 299 R CB 0.256 30.578 30.300 0.037 0.000 0.876 299 R HN -0.188 7.944 8.270 -0.047 0.111 0.457 300 G N -4.016 104.836 108.800 0.086 0.000 2.143 300 G HA2 -0.339 nan 3.960 nan 0.000 0.175 300 G HA3 -0.339 nan 3.960 nan 0.000 0.175 300 G C -0.568 174.361 174.900 0.048 0.000 1.004 300 G CA -0.644 44.492 45.100 0.060 0.000 0.671 300 G HN -0.243 7.916 8.290 0.087 0.184 0.512 301 Y N 1.780 122.113 120.300 0.055 0.000 2.296 301 Y HA -0.066 nan 4.550 nan 0.000 0.343 301 Y C -0.066 175.958 175.900 0.205 0.000 1.292 301 Y CA 1.539 59.692 58.100 0.089 0.000 1.490 301 Y CB 0.980 39.504 38.460 0.105 0.000 1.359 301 Y HN -0.111 8.406 8.280 0.396 0.000 0.599 302 T N -3.910 110.806 114.554 0.270 0.000 2.841 302 T HA 0.412 nan 4.350 nan 0.000 0.283 302 T C -0.097 174.580 174.700 -0.039 0.000 1.000 302 T CA -2.431 59.758 62.100 0.149 0.000 0.977 302 T CB 2.523 71.390 68.868 -0.002 0.000 0.979 302 T HN -0.010 8.352 8.240 0.203 0.000 0.446 303 A N 4.192 126.685 122.820 -0.545 0.000 1.958 303 A HA -0.429 nan 4.320 nan 0.000 0.221 303 A C 0.751 178.119 177.584 -0.360 0.000 1.178 303 A CA 3.191 54.730 52.037 -0.829 0.000 0.642 303 A CB -0.848 17.367 19.000 -1.308 0.000 0.816 303 A HN 0.780 8.545 8.150 -0.641 0.000 0.453 304 A N -3.868 118.792 122.820 -0.266 0.000 2.014 304 A HA -0.206 nan 4.320 nan 0.000 0.218 304 A C 2.037 179.584 177.584 -0.062 0.000 1.163 304 A CA 2.502 54.441 52.037 -0.164 0.000 0.652 304 A CB -0.969 17.943 19.000 -0.146 0.000 0.808 304 A HN 0.390 8.362 8.150 -0.276 0.013 0.449 305 S N -0.249 115.442 115.700 -0.015 0.000 2.406 305 S HA -0.261 nan 4.470 nan 0.000 0.228 305 S C 2.207 176.891 174.600 0.140 0.000 1.020 305 S CA 2.849 61.085 58.200 0.060 0.000 0.965 305 S CB 0.019 63.265 63.200 0.077 0.000 0.798 305 S HN -0.176 7.977 8.310 -0.030 0.139 0.488 306 I N 3.284 123.940 120.570 0.144 0.000 2.252 306 I HA -0.464 nan 4.170 nan 0.000 0.245 306 I C 1.562 177.796 176.117 0.195 0.000 1.102 306 I CA 3.953 65.378 61.300 0.209 0.000 1.385 306 I CB -0.309 37.812 38.000 0.201 0.000 1.064 306 I HN -0.254 8.013 8.210 0.095 0.000 0.414 307 R N -1.459 119.093 120.500 0.088 0.000 2.105 307 R HA -0.458 nan 4.340 nan 0.000 0.239 307 R C 2.249 178.600 176.300 0.085 0.000 1.135 307 R CA 4.093 60.240 56.100 0.078 0.000 0.967 307 R CB -0.472 29.821 30.300 -0.012 0.000 0.861 307 R HN -0.214 8.065 8.270 0.016 0.000 0.442 308 E N -0.295 119.958 120.200 0.088 0.000 2.051 308 E HA -0.270 nan 4.350 nan 0.000 0.192 308 E C 1.890 178.581 176.600 0.152 0.000 0.991 308 E CA 2.678 59.133 56.400 0.091 0.000 0.799 308 E CB -0.658 29.090 29.700 0.080 0.000 0.748 308 E HN -0.575 7.734 8.360 0.075 0.096 0.449 309 F N 0.588 120.564 119.950 0.044 0.000 2.065 309 F HA -0.412 nan 4.527 nan 0.000 0.298 309 F C 1.720 177.547 175.800 0.046 0.000 1.112 309 F CA 3.137 61.169 58.000 0.053 0.000 1.212 309 F CB -0.323 38.718 39.000 0.067 0.000 0.975 309 F HN -0.361 8.048 8.300 0.323 0.085 0.476 310 C N -1.316 117.957 119.300 -0.045 0.000 2.413 310 C HA -0.501 nan 4.460 nan 0.000 0.276 310 C C 1.918 176.834 174.990 -0.123 0.000 1.236 310 C CA 4.189 63.116 59.018 -0.152 0.000 1.735 310 C CB -1.972 25.757 27.740 -0.017 0.000 2.031 310 C HN 0.170 8.493 8.230 0.155 0.000 0.474 311 K N -0.824 119.553 120.400 -0.038 0.000 2.089 311 K HA -0.373 nan 4.320 nan 0.000 0.210 311 K C 2.196 178.767 176.600 -0.049 0.000 1.048 311 K CA 2.857 59.126 56.287 -0.030 0.000 0.926 311 K CB -0.211 32.291 32.500 0.003 0.000 0.714 311 K HN 0.031 8.125 8.250 0.009 0.160 0.448 312 R N -2.528 117.939 120.500 -0.055 0.000 2.062 312 R HA -0.169 nan 4.340 nan 0.000 0.229 312 R C 2.362 178.602 176.300 -0.100 0.000 1.128 312 R CA 2.443 58.515 56.100 -0.047 0.000 0.960 312 R CB 0.286 30.602 30.300 0.026 0.000 0.855 312 R HN -0.126 8.017 8.270 -0.038 0.105 0.432 313 I N -5.904 114.522 120.570 -0.239 0.000 2.700 313 I HA -0.233 nan 4.170 nan 0.000 0.261 313 I C 0.742 176.793 176.117 -0.110 0.000 1.219 313 I CA 0.793 61.961 61.300 -0.220 0.000 1.463 313 I CB -0.398 37.355 38.000 -0.412 0.000 1.092 313 I HN -0.228 7.757 8.210 -0.374 0.000 0.452 314 G N -0.218 108.526 108.800 -0.094 0.000 2.741 314 G HA2 -0.306 nan 3.960 nan 0.000 0.222 314 G HA3 -0.306 nan 3.960 nan 0.000 0.222 314 G C -1.622 173.263 174.900 -0.024 0.000 1.364 314 G CA -0.393 44.681 45.100 -0.042 0.000 0.866 314 G HN -0.709 7.471 8.290 -0.119 0.038 0.555 315 V N 1.383 121.315 119.914 0.030 0.000 2.532 315 V HA 0.485 nan 4.120 nan 0.000 0.294 315 V C -1.052 175.206 176.094 0.274 0.000 1.036 315 V CA -0.722 61.634 62.300 0.094 0.000 0.876 315 V CB 2.048 33.835 31.823 -0.061 0.000 1.012 315 V HN 0.225 8.441 8.190 0.045 0.000 0.432 316 T N 3.750 118.479 114.554 0.293 0.000 2.696 316 T HA 0.502 nan 4.350 nan 0.000 0.291 316 T C -1.073 173.685 174.700 0.096 0.000 1.095 316 T CA -0.587 61.619 62.100 0.177 0.000 1.026 316 T CB 3.018 71.918 68.868 0.054 0.000 1.390 316 T HN 0.068 8.473 8.240 0.274 0.000 0.513 317 K N -2.560 117.745 120.400 -0.157 0.000 2.374 317 K HA 0.126 nan 4.320 nan 0.000 0.196 317 K C -0.342 176.221 176.600 -0.062 0.000 1.023 317 K CA -0.661 55.545 56.287 -0.135 0.000 1.103 317 K CB 0.009 32.352 32.500 -0.261 0.000 0.848 317 K HN 0.291 8.394 8.250 -0.245 0.000 0.528 318 Q N 1.280 121.056 119.800 -0.039 0.000 2.296 318 Q HA -0.057 nan 4.340 nan 0.000 0.262 318 Q C -0.652 175.343 176.000 -0.009 0.000 0.981 318 Q CA 0.330 56.118 55.803 -0.026 0.000 0.905 318 Q CB 0.682 29.410 28.738 -0.017 0.000 1.186 318 Q HN -0.909 7.256 8.270 -0.034 0.084 0.399 319 D N 4.665 125.053 120.400 -0.020 0.000 2.362 319 D HA 0.068 nan 4.640 nan 0.000 0.242 319 D C -0.904 175.389 176.300 -0.011 0.000 1.132 319 D CA 1.210 55.199 54.000 -0.019 0.000 0.907 319 D CB 1.018 41.798 40.800 -0.032 0.000 1.195 319 D HN 0.362 8.716 8.370 -0.028 0.000 0.429 320 N N 1.366 120.062 118.700 -0.007 0.000 2.961 320 N HA 0.108 nan 4.740 nan 0.000 0.245 320 N C -1.380 174.129 175.510 -0.000 0.000 1.404 320 N CA -0.310 52.739 53.050 -0.001 0.000 0.880 320 N CB 2.825 41.319 38.487 0.012 0.000 1.461 320 N HN 0.096 8.470 8.380 -0.011 0.000 0.510 321 T N -0.284 114.273 114.554 0.005 0.000 3.050 321 T HA 0.192 nan 4.350 nan 0.000 0.310 321 T C -0.865 173.858 174.700 0.038 0.000 0.978 321 T CA -0.067 62.039 62.100 0.009 0.000 1.013 321 T CB 1.415 70.270 68.868 -0.022 0.000 1.000 321 T HN 0.020 8.265 8.240 0.007 0.000 0.447 322 I N 6.473 127.091 120.570 0.080 0.000 2.519 322 I HA 0.089 nan 4.170 nan 0.000 0.287 322 I C -0.874 175.321 176.117 0.130 0.000 1.047 322 I CA -1.301 60.079 61.300 0.133 0.000 1.381 322 I CB 1.833 39.978 38.000 0.243 0.000 1.417 322 I HN 0.783 9.044 8.210 0.085 0.000 0.540 323 E N 5.102 125.380 120.200 0.130 0.000 2.319 323 E HA 0.139 nan 4.350 nan 0.000 0.268 323 E C 1.241 177.924 176.600 0.137 0.000 1.050 323 E CA -0.520 55.957 56.400 0.128 0.000 0.878 323 E CB 0.746 30.515 29.700 0.116 0.000 1.066 323 E HN 0.242 8.678 8.360 0.128 0.000 0.406 324 M N 2.850 122.536 119.600 0.144 0.000 2.267 324 M HA -0.320 nan 4.480 nan 0.000 0.263 324 M C 1.474 177.814 176.300 0.065 0.000 1.063 324 M CA 3.102 58.455 55.300 0.089 0.000 1.090 324 M CB -0.942 31.724 32.600 0.111 0.000 1.392 324 M HN 0.619 9.029 8.290 0.201 0.000 0.422 325 A N -1.366 121.507 122.820 0.088 0.000 1.986 325 A HA -0.361 nan 4.320 nan 0.000 0.220 325 A C 2.366 179.997 177.584 0.079 0.000 1.171 325 A CA 2.859 54.941 52.037 0.075 0.000 0.640 325 A CB -1.285 17.763 19.000 0.080 0.000 0.811 325 A HN 0.245 8.432 8.150 0.110 0.030 0.451 326 S N -1.493 114.274 115.700 0.111 0.000 2.371 326 S HA -0.228 nan 4.470 nan 0.000 0.224 326 S C 2.043 176.713 174.600 0.117 0.000 1.029 326 S CA 2.674 60.973 58.200 0.165 0.000 0.978 326 S CB -0.200 63.166 63.200 0.278 0.000 0.833 326 S HN -0.506 7.752 8.310 0.122 0.125 0.466 327 L N 1.904 123.081 121.223 -0.076 0.000 1.976 327 L HA -0.350 nan 4.340 nan 0.000 0.209 327 L C 1.445 178.288 176.870 -0.045 0.000 1.071 327 L CA 3.012 57.627 54.840 -0.375 0.000 0.746 327 L CB -0.159 41.576 42.059 -0.540 0.000 0.890 327 L HN -0.842 7.282 8.230 -0.038 0.084 0.432 328 E N -2.228 117.983 120.200 0.017 0.000 2.160 328 E HA -0.472 nan 4.350 nan 0.000 0.195 328 E C 2.437 179.041 176.600 0.007 0.000 0.991 328 E CA 3.099 59.525 56.400 0.044 0.000 0.810 328 E CB -0.473 29.251 29.700 0.041 0.000 0.742 328 E HN 0.273 8.631 8.360 -0.004 0.000 0.466 329 S N -0.252 115.466 115.700 0.030 0.000 2.359 329 S HA -0.318 nan 4.470 nan 0.000 0.224 329 S C 1.943 176.548 174.600 0.009 0.000 1.035 329 S CA 3.201 61.418 58.200 0.028 0.000 1.018 329 S CB -0.097 63.138 63.200 0.059 0.000 0.876 329 S HN -0.323 7.896 8.310 0.044 0.117 0.448 330 C N 1.631 120.955 119.300 0.041 0.000 2.393 330 C HA -0.313 nan 4.460 nan 0.000 0.276 330 C C 2.215 177.182 174.990 -0.038 0.000 1.215 330 C CA 3.908 62.951 59.018 0.042 0.000 1.743 330 C CB -1.742 26.070 27.740 0.120 0.000 2.044 330 C HN -0.376 7.817 8.230 0.067 0.077 0.464 331 I N -0.577 119.939 120.570 -0.091 0.000 2.361 331 I HA -0.449 nan 4.170 nan 0.000 0.251 331 I C 1.191 177.075 176.117 -0.388 0.000 1.133 331 I CA 1.932 63.058 61.300 -0.290 0.000 1.413 331 I CB -0.254 37.340 38.000 -0.677 0.000 1.073 331 I HN -0.625 7.572 8.210 -0.022 0.000 0.424 332 R N -0.809 119.500 120.500 -0.318 0.000 2.070 332 R HA -0.463 nan 4.340 nan 0.000 0.233 332 R C 1.871 178.016 176.300 -0.260 0.000 1.137 332 R CA 4.363 60.236 56.100 -0.377 0.000 0.945 332 R CB -0.445 29.780 30.300 -0.125 0.000 0.845 332 R HN -0.360 7.775 8.270 -0.208 0.010 0.430 333 E N -0.810 119.319 120.200 -0.118 0.000 2.114 333 E HA -0.426 nan 4.350 nan 0.000 0.199 333 E C 2.178 178.734 176.600 -0.073 0.000 1.008 333 E CA 3.195 59.562 56.400 -0.055 0.000 0.810 333 E CB -0.308 29.380 29.700 -0.020 0.000 0.739 333 E HN -0.275 8.029 8.360 -0.093 0.000 0.456 334 D N -0.008 120.321 120.400 -0.117 0.000 2.081 334 D HA -0.227 nan 4.640 nan 0.000 0.194 334 D C 2.495 178.724 176.300 -0.118 0.000 0.986 334 D CA 2.804 56.742 54.000 -0.104 0.000 0.837 334 D CB 0.042 40.772 40.800 -0.117 0.000 0.985 334 D HN -0.653 7.627 8.370 -0.138 0.008 0.448 335 L N -0.471 120.599 121.223 -0.255 0.000 2.043 335 L HA -0.415 nan 4.340 nan 0.000 0.212 335 L C 2.246 179.140 176.870 0.041 0.000 1.075 335 L CA 2.704 57.396 54.840 -0.247 0.000 0.752 335 L CB -0.691 40.956 42.059 -0.686 0.000 0.891 335 L HN -0.082 7.937 8.230 -0.352 0.000 0.432 336 N N -1.679 117.046 118.700 0.042 0.000 2.205 336 N HA -0.343 nan 4.740 nan 0.000 0.186 336 N C 2.960 178.628 175.510 0.264 0.000 1.015 336 N CA 3.309 56.530 53.050 0.284 0.000 0.862 336 N CB -0.059 38.554 38.487 0.209 0.000 0.986 336 N HN 0.502 8.673 8.380 -0.171 0.107 0.429 337 E N -1.170 119.131 120.200 0.168 0.000 2.122 337 E HA -0.125 nan 4.350 nan 0.000 0.190 337 E C 1.937 178.639 176.600 0.169 0.000 0.977 337 E CA 2.965 59.460 56.400 0.159 0.000 0.820 337 E CB 0.235 29.964 29.700 0.047 0.000 0.770 337 E HN -0.153 8.140 8.360 0.081 0.116 0.462 338 N N -2.459 116.317 118.700 0.126 0.000 2.220 338 N HA 0.028 nan 4.740 nan 0.000 0.195 338 N C -0.625 174.960 175.510 0.125 0.000 1.123 338 N CA 0.483 53.587 53.050 0.089 0.000 0.874 338 N CB 1.870 40.364 38.487 0.013 0.000 0.995 338 N HN -0.551 7.799 8.380 0.095 0.087 0.498 339 A N 2.692 125.621 122.820 0.182 0.000 2.320 339 A HA 0.368 nan 4.320 nan 0.000 0.287 339 A C -2.171 175.511 177.584 0.164 0.000 1.181 339 A CA -2.376 49.751 52.037 0.149 0.000 0.831 339 A CB -0.122 19.021 19.000 0.238 0.000 1.102 339 A HN 0.107 8.303 8.150 0.224 0.089 0.513 340 P HA 0.174 nan 4.420 nan 0.000 0.281 340 P C -0.903 176.534 177.300 0.228 0.000 1.252 340 P CA -0.707 62.509 63.100 0.193 0.000 0.778 340 P CB 0.509 32.338 31.700 0.215 0.000 0.895 341 R N 5.213 125.768 120.500 0.092 0.000 2.679 341 R HA 0.230 nan 4.340 nan 0.000 0.269 341 R C -0.959 175.384 176.300 0.071 0.000 1.076 341 R CA 0.948 57.072 56.100 0.040 0.000 1.160 341 R CB 0.592 30.844 30.300 -0.080 0.000 1.054 341 R HN 0.342 8.541 8.270 0.038 0.094 0.507 342 A N 0.026 122.844 122.820 -0.004 0.000 2.506 342 A HA 0.479 nan 4.320 nan 0.000 0.305 342 A C -2.371 175.024 177.584 -0.314 0.000 1.166 342 A CA -0.759 51.189 52.037 -0.148 0.000 0.638 342 A CB 3.396 22.282 19.000 -0.189 0.000 1.336 342 A HN 0.124 8.269 8.150 -0.007 0.000 0.493 343 M N -1.469 117.825 119.600 -0.509 0.000 2.378 343 M HA 0.382 nan 4.480 nan 0.000 0.289 343 M C -2.147 173.684 176.300 -0.782 0.000 1.136 343 M CA -0.502 54.434 55.300 -0.607 0.000 0.917 343 M CB 4.442 36.733 32.600 -0.515 0.000 1.669 343 M HN -0.293 7.811 8.290 -0.507 -0.118 0.461 344 A N 0.746 123.072 122.820 -0.822 0.000 2.594 344 A HA 0.743 nan 4.320 nan 0.000 0.295 344 A C -2.597 174.790 177.584 -0.329 0.000 1.071 344 A CA -0.756 50.831 52.037 -0.750 0.000 0.685 344 A CB 3.185 21.357 19.000 -1.380 0.000 1.285 344 A HN -0.006 7.705 8.150 -0.731 0.000 0.405 345 V N -0.283 119.515 119.914 -0.193 0.000 2.409 345 V HA 0.516 nan 4.120 nan 0.000 0.291 345 V C -0.161 175.851 176.094 -0.137 0.000 1.020 345 V CA -0.840 61.435 62.300 -0.041 0.000 0.848 345 V CB 1.394 33.201 31.823 -0.027 0.000 0.990 345 V HN 0.930 8.864 8.190 -0.239 0.112 0.430 346 I N 6.484 127.017 120.570 -0.061 0.000 2.296 346 I HA -0.084 nan 4.170 nan 0.000 0.242 346 I C -0.243 175.810 176.117 -0.107 0.000 1.087 346 I CA 2.740 63.992 61.300 -0.080 0.000 1.393 346 I CB 0.703 38.715 38.000 0.019 0.000 1.093 346 I HN 0.459 8.692 8.210 0.038 0.000 0.421 347 D N -0.839 119.528 120.400 -0.056 0.000 2.427 347 D HA 0.426 nan 4.640 nan 0.000 0.226 347 D C -2.572 173.691 176.300 -0.062 0.000 1.076 347 D CA -3.164 50.800 54.000 -0.060 0.000 0.849 347 D CB 2.426 43.221 40.800 -0.008 0.000 1.052 347 D HN -0.616 7.966 8.370 -0.010 -0.218 0.515 348 P HA 0.590 nan 4.420 nan 0.000 0.304 348 P C -2.444 174.889 177.300 0.055 0.000 1.365 348 P CA -1.334 61.715 63.100 -0.084 0.000 0.935 348 P CB 2.376 33.864 31.700 -0.353 0.000 1.091 349 V N 1.997 122.023 119.914 0.188 0.000 2.487 349 V HA 0.366 nan 4.120 nan 0.000 0.298 349 V C -1.574 174.698 176.094 0.297 0.000 1.028 349 V CA -2.815 59.611 62.300 0.210 0.000 0.860 349 V CB 3.315 35.184 31.823 0.077 0.000 0.991 349 V HN 0.841 9.135 8.190 0.173 0.000 0.427 350 K N 8.920 129.472 120.400 0.253 0.000 2.436 350 K HA 0.044 nan 4.320 nan 0.000 0.275 350 K C -2.068 174.378 176.600 -0.257 0.000 0.999 350 K CA 0.923 57.128 56.287 -0.138 0.000 0.980 350 K CB 0.915 33.184 32.500 -0.384 0.000 0.919 350 K HN 0.427 8.841 8.250 0.273 0.000 0.484 351 L N 5.278 126.301 121.223 -0.333 0.000 2.446 351 L HA 0.706 nan 4.340 nan 0.000 0.268 351 L C -2.557 174.084 176.870 -0.381 0.000 0.975 351 L CA -1.145 53.495 54.840 -0.334 0.000 0.848 351 L CB 3.200 45.142 42.059 -0.195 0.000 1.225 351 L HN -0.330 7.658 8.230 -0.403 0.000 0.410 352 V N 2.123 121.780 119.914 -0.428 0.000 2.612 352 V HA 0.787 nan 4.120 nan 0.000 0.301 352 V C -1.664 174.331 176.094 -0.165 0.000 1.046 352 V CA -3.486 58.623 62.300 -0.317 0.000 0.946 352 V CB 2.432 34.091 31.823 -0.273 0.000 1.003 352 V HN 0.902 8.752 8.190 -0.567 0.000 0.459 353 I N 4.338 124.842 120.570 -0.109 0.000 2.330 353 I HA 0.186 nan 4.170 nan 0.000 0.289 353 I C -0.110 176.070 176.117 0.105 0.000 1.001 353 I CA -0.002 61.314 61.300 0.026 0.000 1.193 353 I CB 0.655 38.673 38.000 0.030 0.000 1.345 353 I HN 0.390 8.377 8.210 -0.175 0.118 0.461 354 E N 8.990 129.273 120.200 0.140 0.000 2.076 354 E HA -0.238 nan 4.350 nan 0.000 0.190 354 E C 1.008 177.688 176.600 0.134 0.000 0.979 354 E CA 2.228 58.704 56.400 0.128 0.000 0.807 354 E CB 0.119 29.887 29.700 0.113 0.000 0.761 354 E HN 0.460 8.908 8.360 0.147 0.000 0.454 355 N N -1.285 117.507 118.700 0.154 0.000 2.258 355 N HA -0.304 nan 4.740 nan 0.000 0.187 355 N C -0.802 174.862 175.510 0.257 0.000 1.012 355 N CA 1.199 54.330 53.050 0.135 0.000 0.870 355 N CB 0.024 38.554 38.487 0.072 0.000 0.977 355 N HN -0.130 8.342 8.380 0.154 0.000 0.434 356 Y N -0.127 120.315 120.300 0.237 0.000 2.569 356 Y HA -0.159 nan 4.550 nan 0.000 0.332 356 Y C -0.899 175.055 175.900 0.091 0.000 1.120 356 Y CA 0.716 58.940 58.100 0.207 0.000 1.416 356 Y CB 0.188 38.642 38.460 -0.010 0.000 1.210 356 Y HN -0.392 8.082 8.280 0.411 0.053 0.528 357 Q N 6.726 126.288 119.800 -0.397 0.000 2.333 357 Q HA 0.257 nan 4.340 nan 0.000 0.268 357 Q C -0.633 175.043 176.000 -0.539 0.000 1.007 357 Q CA -0.649 54.962 55.803 -0.320 0.000 0.810 357 Q CB 1.505 30.140 28.738 -0.172 0.000 1.264 357 Q HN 0.353 8.359 8.270 -0.439 0.000 0.452 358 G N 3.088 111.694 108.800 -0.324 0.000 2.326 358 G HA2 -0.184 nan 3.960 nan 0.000 0.413 358 G HA3 -0.184 nan 3.960 nan 0.000 0.413 358 G C -1.242 173.658 174.900 -0.000 0.000 1.444 358 G CA -0.362 44.615 45.100 -0.206 0.000 1.002 358 G HN -0.101 8.079 8.290 -0.184 0.000 0.649 359 E N -1.012 119.222 120.200 0.056 0.000 2.502 359 E HA 0.020 nan 4.350 nan 0.000 0.194 359 E C -0.441 176.265 176.600 0.177 0.000 1.062 359 E CA 0.180 56.637 56.400 0.096 0.000 0.867 359 E CB 0.421 30.159 29.700 0.063 0.000 0.888 359 E HN 0.282 8.660 8.360 0.030 0.000 0.510 360 G N -3.051 105.924 108.800 0.292 0.000 3.187 360 G HA2 -0.175 nan 3.960 nan 0.000 0.682 360 G HA3 -0.175 nan 3.960 nan 0.000 0.682 360 G C -1.044 174.038 174.900 0.303 0.000 1.266 360 G CA -0.650 44.658 45.100 0.347 0.000 0.902 360 G HN -0.579 7.802 8.290 0.271 0.071 0.589 361 E N 2.620 123.046 120.200 0.377 0.000 3.751 361 E HA 0.240 nan 4.350 nan 0.000 0.281 361 E C -1.415 175.312 176.600 0.213 0.000 1.086 361 E CA -1.300 55.264 56.400 0.272 0.000 1.579 361 E CB 1.341 31.223 29.700 0.304 0.000 1.666 361 E HN -0.085 8.585 8.360 0.517 0.000 0.655 362 M N -0.315 119.385 119.600 0.166 0.000 2.277 362 M HA 0.233 nan 4.480 nan 0.000 0.282 362 M C -1.427 174.933 176.300 0.100 0.000 1.074 362 M CA -0.219 55.153 55.300 0.120 0.000 0.954 362 M CB 3.111 35.747 32.600 0.060 0.000 1.672 362 M HN -0.189 8.193 8.290 0.154 0.000 0.471 363 V N 6.178 126.166 119.914 0.123 0.000 2.459 363 V HA 0.356 nan 4.120 nan 0.000 0.295 363 V C -1.024 175.106 176.094 0.060 0.000 1.029 363 V CA -1.555 60.785 62.300 0.066 0.000 0.874 363 V CB 2.202 34.079 31.823 0.089 0.000 0.985 363 V HN 0.950 9.152 8.190 0.185 0.098 0.438 364 T N 8.959 123.528 114.554 0.025 0.000 2.729 364 T HA 0.407 nan 4.350 nan 0.000 0.296 364 T C -0.867 173.845 174.700 0.019 0.000 0.928 364 T CA 0.731 62.844 62.100 0.021 0.000 1.045 364 T CB -0.296 68.580 68.868 0.014 0.000 0.902 364 T HN 0.356 8.599 8.240 0.005 0.000 0.500 365 M N 6.651 126.261 119.600 0.016 0.000 2.508 365 M HA 0.506 nan 4.480 nan 0.000 0.327 365 M C -2.687 173.620 176.300 0.012 0.000 1.160 365 M CA -2.544 52.761 55.300 0.008 0.000 0.980 365 M CB 2.269 34.858 32.600 -0.018 0.000 1.693 365 M HN 0.748 9.047 8.290 0.014 0.000 0.452 366 P HA 0.160 nan 4.420 nan 0.000 0.278 366 P C -0.500 176.826 177.300 0.044 0.000 1.238 366 P CA -0.494 62.629 63.100 0.037 0.000 0.794 366 P CB 0.621 32.348 31.700 0.044 0.000 0.955 367 N N 1.116 119.862 118.700 0.077 0.000 2.463 367 N HA -0.090 nan 4.740 nan 0.000 0.181 367 N C -0.978 174.619 175.510 0.146 0.000 1.078 367 N CA 1.411 54.523 53.050 0.103 0.000 0.902 367 N CB 1.596 40.155 38.487 0.119 0.000 0.970 367 N HN 0.116 8.545 8.380 0.081 0.000 0.451 368 H N -1.569 117.523 119.070 0.037 0.000 3.243 368 H HA 0.298 nan 4.556 nan 0.000 0.330 368 H C -2.363 172.980 175.328 0.026 0.000 1.269 368 H CA -1.806 54.263 56.048 0.035 0.000 1.632 368 H CB 2.031 31.817 29.762 0.038 0.000 1.982 368 H HN -0.547 7.778 8.280 0.156 0.049 0.536 369 P HA -0.228 nan 4.420 nan 0.000 0.223 369 P C -0.736 176.652 177.300 0.147 0.000 1.140 369 P CA 2.163 65.313 63.100 0.084 0.000 0.783 369 P CB 0.093 31.797 31.700 0.007 0.000 0.759 370 N N -5.493 113.396 118.700 0.315 0.000 2.143 370 N HA 0.119 nan 4.740 nan 0.000 0.222 370 N C -1.084 174.491 175.510 0.109 0.000 1.264 370 N CA 0.592 53.764 53.050 0.203 0.000 0.897 370 N CB 1.799 40.405 38.487 0.197 0.000 1.092 370 N HN -0.005 8.686 8.380 0.641 0.074 0.516 371 K N 0.368 120.822 120.400 0.090 0.000 2.842 371 K HA 0.543 nan 4.320 nan 0.000 0.176 371 K C -1.582 175.006 176.600 -0.019 0.000 1.080 371 K CA -2.769 53.449 56.287 -0.115 0.000 0.954 371 K CB 0.857 33.053 32.500 -0.506 0.000 1.203 371 K HN -0.000 8.293 8.250 0.284 0.127 0.611 372 P HA -0.282 nan 4.420 nan 0.000 0.217 372 P C 1.149 178.457 177.300 0.013 0.000 1.148 372 P CA 2.369 65.484 63.100 0.026 0.000 0.834 372 P CB -0.162 31.550 31.700 0.020 0.000 0.783 373 E N -2.286 117.908 120.200 -0.010 0.000 2.171 373 E HA -0.274 nan 4.350 nan 0.000 0.197 373 E C 1.204 177.802 176.600 -0.003 0.000 0.997 373 E CA 2.187 58.579 56.400 -0.013 0.000 0.810 373 E CB -1.274 28.406 29.700 -0.032 0.000 0.738 373 E HN 0.322 8.625 8.360 -0.024 0.043 0.467 374 M N -0.634 118.966 119.600 0.001 0.000 2.686 374 M HA -0.133 nan 4.480 nan 0.000 0.246 374 M C 0.444 176.775 176.300 0.051 0.000 1.096 374 M CA 0.989 56.307 55.300 0.029 0.000 1.076 374 M CB 0.543 33.176 32.600 0.055 0.000 1.504 374 M HN -0.063 8.080 8.290 -0.013 0.139 0.524 375 G N -0.956 107.870 108.800 0.043 0.000 2.660 375 G HA2 -0.317 nan 3.960 nan 0.000 0.247 375 G HA3 -0.317 nan 3.960 nan 0.000 0.247 375 G C -2.281 172.649 174.900 0.050 0.000 1.328 375 G CA -0.418 44.708 45.100 0.043 0.000 0.884 375 G HN -0.178 7.944 8.290 0.033 0.188 0.531 376 S N -1.086 114.639 115.700 0.042 0.000 2.671 376 S HA 0.823 nan 4.470 nan 0.000 0.277 376 S C -1.496 173.124 174.600 0.033 0.000 1.165 376 S CA -1.724 56.499 58.200 0.037 0.000 0.822 376 S CB 3.044 66.262 63.200 0.029 0.000 1.150 376 S HN -0.121 8.212 8.310 0.038 0.000 0.479 377 R N -3.290 117.225 120.500 0.024 0.000 2.781 377 R HA 0.334 nan 4.340 nan 0.000 0.269 377 R C -2.514 173.793 176.300 0.011 0.000 1.025 377 R CA -1.385 54.725 56.100 0.018 0.000 0.914 377 R CB 2.737 33.046 30.300 0.015 0.000 1.236 377 R HN 0.871 9.051 8.270 0.021 0.103 0.465 378 Q N 1.174 120.978 119.800 0.008 0.000 2.430 378 Q HA 0.342 nan 4.340 nan 0.000 0.245 378 Q C -1.141 174.860 176.000 0.001 0.000 1.021 378 Q CA -0.446 55.363 55.803 0.009 0.000 0.867 378 Q CB 0.215 28.957 28.738 0.006 0.000 1.210 378 Q HN 0.071 8.345 8.270 0.006 0.000 0.487 379 V N 7.702 127.629 119.914 0.023 0.000 2.370 379 V HA 0.454 nan 4.120 nan 0.000 0.279 379 V C -2.031 174.133 176.094 0.117 0.000 1.029 379 V CA -3.439 58.878 62.300 0.028 0.000 0.870 379 V CB 1.566 33.386 31.823 -0.004 0.000 0.984 379 V HN 0.884 9.001 8.190 0.040 0.097 0.451 380 P HA 0.107 nan 4.420 nan 0.000 0.270 380 P C -1.509 176.006 177.300 0.358 0.000 1.242 380 P CA -0.352 62.806 63.100 0.095 0.000 0.768 380 P CB -0.393 31.126 31.700 -0.302 0.000 0.820 381 F N 7.288 127.346 119.950 0.181 0.000 2.408 381 F HA 0.128 nan 4.527 nan 0.000 0.325 381 F C -1.161 174.607 175.800 -0.053 0.000 1.082 381 F CA -1.003 57.025 58.000 0.047 0.000 1.032 381 F CB 2.535 41.479 39.000 -0.093 0.000 1.259 381 F HN -0.475 7.948 8.300 0.368 0.097 0.503 382 S N 1.964 116.830 115.700 -1.390 0.000 2.755 382 S HA 0.157 nan 4.470 nan 0.000 0.286 382 S C -1.655 171.922 174.600 -1.704 0.000 1.207 382 S CA -1.323 56.235 58.200 -1.070 0.000 0.892 382 S CB 1.792 64.661 63.200 -0.552 0.000 1.240 382 S HN -0.034 6.485 8.310 -2.985 0.000 0.525 383 G N -0.590 107.562 108.800 -1.080 0.000 2.651 383 G HA2 0.133 nan 3.960 nan 0.000 0.207 383 G HA3 0.133 nan 3.960 nan 0.000 0.207 383 G C -1.005 173.586 174.900 -0.516 0.000 1.131 383 G CA 0.231 44.871 45.100 -0.767 0.000 0.816 383 G HN 0.249 8.148 8.290 -0.653 0.000 0.534 384 E N 3.442 123.364 120.200 -0.464 0.000 1.998 384 E HA 0.320 nan 4.350 nan 0.000 0.257 384 E C -0.683 175.566 176.600 -0.585 0.000 1.038 384 E CA -1.389 54.731 56.400 -0.467 0.000 0.869 384 E CB -0.509 28.947 29.700 -0.407 0.000 1.135 384 E HN -0.531 7.565 8.360 -0.441 0.000 0.430 385 I N -0.801 119.438 120.570 -0.552 0.000 3.842 385 I HA 0.572 nan 4.170 nan 0.000 0.273 385 I C -1.584 174.253 176.117 -0.467 0.000 1.348 385 I CA -1.954 59.065 61.300 -0.468 0.000 0.948 385 I CB 2.286 40.082 38.000 -0.341 0.000 1.534 385 I HN 0.314 8.226 8.210 -0.497 0.000 0.656 386 W N -2.779 118.449 121.300 -0.120 0.000 2.739 386 W HA 0.578 nan 4.660 nan 0.000 0.331 386 W C -1.129 175.373 176.519 -0.029 0.000 1.049 386 W CA -1.633 55.659 57.345 -0.089 0.000 1.234 386 W CB 3.055 32.464 29.460 -0.085 0.000 1.404 386 W HN -0.682 7.576 8.180 0.131 0.000 0.477 387 I N -3.096 117.651 120.570 0.294 0.000 2.934 387 I HA 0.646 nan 4.170 nan 0.000 0.306 387 I C -2.591 173.557 176.117 0.051 0.000 1.110 387 I CA -2.706 58.656 61.300 0.104 0.000 1.019 387 I CB 4.078 42.119 38.000 0.069 0.000 1.227 387 I HN 0.391 8.826 8.210 0.376 0.000 0.434 388 D N 0.516 120.870 120.400 -0.077 0.000 2.312 388 D HA 0.110 nan 4.640 nan 0.000 0.252 388 D C 1.062 177.389 176.300 0.045 0.000 1.150 388 D CA -0.320 53.660 54.000 -0.033 0.000 0.870 388 D CB 1.478 42.234 40.800 -0.073 0.000 1.153 388 D HN 0.386 8.630 8.370 -0.211 0.000 0.457 389 R N 9.204 129.744 120.500 0.066 0.000 2.196 389 R HA -0.461 nan 4.340 nan 0.000 0.234 389 R C 1.447 177.834 176.300 0.144 0.000 1.113 389 R CA 4.129 60.291 56.100 0.102 0.000 0.899 389 R CB -0.146 30.199 30.300 0.076 0.000 0.863 389 R HN 0.547 8.843 8.270 0.044 0.000 0.430 390 A N -3.724 119.168 122.820 0.121 0.000 2.285 390 A HA -0.207 nan 4.320 nan 0.000 0.214 390 A C 0.562 178.252 177.584 0.177 0.000 1.188 390 A CA 2.062 54.187 52.037 0.145 0.000 0.707 390 A CB -1.243 17.823 19.000 0.109 0.000 0.771 390 A HN 0.424 8.630 8.150 0.093 0.000 0.488 391 D N -3.916 116.585 120.400 0.169 0.000 2.346 391 D HA 0.022 nan 4.640 nan 0.000 0.206 391 D C -0.833 175.643 176.300 0.293 0.000 1.001 391 D CA 1.717 55.813 54.000 0.160 0.000 0.871 391 D CB 0.747 41.595 40.800 0.079 0.000 0.943 391 D HN -0.837 7.405 8.370 0.152 0.219 0.518 392 F N 0.533 120.592 119.950 0.183 0.000 2.421 392 F HA 0.364 nan 4.527 nan 0.000 0.337 392 F C -1.775 174.095 175.800 0.117 0.000 1.105 392 F CA -0.782 57.313 58.000 0.159 0.000 1.049 392 F CB 2.054 41.100 39.000 0.077 0.000 1.139 392 F HN -0.168 8.314 8.300 0.355 0.031 0.479 393 R N 7.031 126.921 120.500 -1.016 0.000 2.502 393 R HA 0.348 nan 4.340 nan 0.000 0.298 393 R C -0.662 175.044 176.300 -0.990 0.000 1.018 393 R CA -0.825 54.776 56.100 -0.831 0.000 0.899 393 R CB 2.611 32.214 30.300 -1.163 0.000 1.181 393 R HN 0.896 8.182 8.270 -1.449 0.115 0.444 394 E N 4.835 124.799 120.200 -0.393 0.000 2.204 394 E HA -0.283 nan 4.350 nan 0.000 0.194 394 E C -0.955 175.553 176.600 -0.154 0.000 0.989 394 E CA 2.125 58.481 56.400 -0.073 0.000 0.824 394 E CB 0.616 30.417 29.700 0.168 0.000 0.756 394 E HN 0.580 8.861 8.360 -0.132 0.000 0.477 395 E N -2.068 117.998 120.200 -0.223 0.000 2.278 395 E HA 0.226 nan 4.350 nan 0.000 0.272 395 E C -2.034 174.396 176.600 -0.283 0.000 0.890 395 E CA -1.217 55.070 56.400 -0.189 0.000 0.770 395 E CB 0.979 30.616 29.700 -0.104 0.000 1.212 395 E HN -0.427 7.737 8.360 -0.267 0.036 0.415 396 A N 2.759 125.422 122.820 -0.262 0.000 2.557 396 A HA 0.200 nan 4.320 nan 0.000 0.292 396 A C -1.962 175.550 177.584 -0.119 0.000 1.139 396 A CA -0.421 51.447 52.037 -0.281 0.000 0.665 396 A CB 1.620 20.252 19.000 -0.614 0.000 1.285 396 A HN -0.059 7.974 8.150 -0.194 0.000 0.433 397 N N -1.085 117.589 118.700 -0.043 0.000 2.402 397 N HA 0.157 nan 4.740 nan 0.000 0.294 397 N C 0.067 175.610 175.510 0.055 0.000 1.203 397 N CA -0.920 52.135 53.050 0.009 0.000 0.838 397 N CB 2.844 41.342 38.487 0.017 0.000 1.306 397 N HN 0.092 8.457 8.380 -0.026 0.000 0.510 398 K N -0.884 119.541 120.400 0.042 0.000 2.163 398 K HA -0.326 nan 4.320 nan 0.000 0.210 398 K C 0.638 177.277 176.600 0.065 0.000 1.048 398 K CA 2.821 59.137 56.287 0.048 0.000 0.928 398 K CB 0.008 32.527 32.500 0.032 0.000 0.716 398 K HN 0.161 8.427 8.250 0.026 0.000 0.459 399 Q N -3.452 116.390 119.800 0.070 0.000 1.975 399 Q HA -0.279 nan 4.340 nan 0.000 0.205 399 Q C 0.726 176.781 176.000 0.091 0.000 0.990 399 Q CA 1.365 57.208 55.803 0.067 0.000 0.845 399 Q CB 0.101 28.878 28.738 0.065 0.000 0.913 399 Q HN -0.237 8.041 8.270 0.064 0.030 0.420 400 Y N 1.146 121.441 120.300 -0.010 0.000 2.863 400 Y HA -0.213 nan 4.550 nan 0.000 0.359 400 Y C -0.026 175.865 175.900 -0.015 0.000 1.312 400 Y CA 0.635 58.725 58.100 -0.016 0.000 1.650 400 Y CB 0.344 38.782 38.460 -0.036 0.000 1.201 400 Y HN -0.710 7.865 8.280 0.231 -0.157 0.531 401 K N 4.390 124.692 120.400 -0.163 0.000 2.681 401 K HA 0.153 nan 4.320 nan 0.000 0.211 401 K C -1.567 174.959 176.600 -0.123 0.000 1.075 401 K CA -0.372 55.871 56.287 -0.074 0.000 1.141 401 K CB 0.750 33.221 32.500 -0.049 0.000 0.896 401 K HN 0.189 8.255 8.250 -0.307 0.000 0.470 402 R N -1.826 118.525 120.500 -0.249 0.000 3.091 402 R HA 0.458 nan 4.340 nan 0.000 0.197 402 R C -1.226 175.173 176.300 0.165 0.000 1.554 402 R CA -1.092 54.943 56.100 -0.109 0.000 0.895 402 R CB 1.960 32.068 30.300 -0.321 0.000 2.235 402 R HN -0.768 7.155 8.270 -0.456 0.073 0.512 403 L N 1.916 123.273 121.223 0.222 0.000 2.282 403 L HA 0.190 nan 4.340 nan 0.000 0.287 403 L C -1.854 174.919 176.870 -0.162 0.000 1.075 403 L CA -0.512 54.416 54.840 0.147 0.000 0.839 403 L CB 0.083 42.298 42.059 0.260 0.000 1.219 403 L HN 0.034 8.393 8.230 0.216 0.000 0.434 404 V N 6.046 125.862 119.914 -0.163 0.000 2.743 404 V HA 0.405 nan 4.120 nan 0.000 0.301 404 V C 1.017 176.965 176.094 -0.244 0.000 1.057 404 V CA -2.191 59.862 62.300 -0.412 0.000 1.006 404 V CB 0.660 32.351 31.823 -0.221 0.000 1.024 404 V HN -0.107 8.082 8.190 -0.001 0.000 0.473 405 L N 4.599 125.692 121.223 -0.217 0.000 2.869 405 L HA -0.013 nan 4.340 nan 0.000 0.259 405 L C -0.490 176.445 176.870 0.108 0.000 1.162 405 L CA 0.617 55.567 54.840 0.183 0.000 0.975 405 L CB -1.669 40.584 42.059 0.323 0.000 1.217 405 L HN 0.220 8.213 8.230 -0.395 0.000 0.418 406 G N -2.618 106.212 108.800 0.050 0.000 2.535 406 G HA2 0.234 nan 3.960 nan 0.000 0.191 406 G HA3 0.234 nan 3.960 nan 0.000 0.191 406 G C -0.680 174.248 174.900 0.047 0.000 1.242 406 G CA 0.188 45.315 45.100 0.045 0.000 0.797 406 G HN -0.137 8.037 8.290 0.018 0.127 0.863 407 K N -0.372 120.056 120.400 0.046 0.000 2.502 407 K HA 0.358 nan 4.320 nan 0.000 0.256 407 K C -1.810 174.835 176.600 0.074 0.000 1.053 407 K CA -1.672 54.646 56.287 0.053 0.000 1.002 407 K CB 2.452 34.978 32.500 0.043 0.000 1.384 407 K HN -0.742 7.528 8.250 0.035 0.000 0.537 408 E N -2.257 117.985 120.200 0.069 0.000 2.222 408 E HA 0.654 nan 4.350 nan 0.000 0.267 408 E C -1.220 175.430 176.600 0.084 0.000 0.963 408 E CA -1.172 55.277 56.400 0.080 0.000 0.837 408 E CB 1.843 31.584 29.700 0.069 0.000 1.183 408 E HN -0.008 8.387 8.360 0.059 0.000 0.403 409 V N -5.236 114.735 119.914 0.094 0.000 2.733 409 V HA 0.547 nan 4.120 nan 0.000 0.306 409 V C -1.873 174.277 176.094 0.093 0.000 1.084 409 V CA -2.319 60.036 62.300 0.092 0.000 0.905 409 V CB 2.708 34.596 31.823 0.107 0.000 1.010 409 V HN 0.378 8.629 8.190 0.101 0.000 0.424 410 R N 4.317 124.869 120.500 0.086 0.000 2.389 410 R HA 0.330 nan 4.340 nan 0.000 0.295 410 R C -0.852 175.518 176.300 0.116 0.000 1.075 410 R CA -1.685 54.467 56.100 0.087 0.000 1.005 410 R CB 0.281 30.624 30.300 0.073 0.000 0.987 410 R HN -0.033 8.283 8.270 0.077 0.000 0.452 411 L N 4.169 125.452 121.223 0.099 0.000 2.418 411 L HA 0.311 nan 4.340 nan 0.000 0.265 411 L C 0.327 177.419 176.870 0.371 0.000 1.143 411 L CA -0.483 54.459 54.840 0.170 0.000 0.809 411 L CB 0.495 42.414 42.059 -0.232 0.000 1.124 411 L HN 0.107 8.371 8.230 0.057 0.000 0.456 412 R N 1.952 122.880 120.500 0.713 0.000 2.446 412 R HA -0.233 nan 4.340 nan 0.000 0.314 412 R C 0.179 176.753 176.300 0.457 0.000 1.003 412 R CA 1.151 57.510 56.100 0.431 0.000 1.018 412 R CB -0.756 29.639 30.300 0.157 0.000 0.945 412 R HN -0.099 8.749 8.270 0.963 0.000 0.419 413 N N 0.679 119.498 118.700 0.198 0.000 2.681 413 N HA -0.454 nan 4.740 nan 0.000 0.250 413 N C -1.640 173.885 175.510 0.024 0.000 1.133 413 N CA 1.759 54.870 53.050 0.102 0.000 0.732 413 N CB -1.158 37.386 38.487 0.093 0.000 1.107 413 N HN 0.576 9.042 8.380 0.143 0.000 0.559 414 A N -4.810 117.984 122.820 -0.043 0.000 3.659 414 A HA 0.335 nan 4.320 nan 0.000 0.176 414 A C -1.800 175.433 177.584 -0.585 0.000 0.815 414 A CA -0.932 50.806 52.037 -0.498 0.000 1.012 414 A CB 2.085 20.705 19.000 -0.634 0.000 1.677 414 A HN -0.545 7.505 8.150 0.073 0.144 0.746 415 Y N -3.437 116.645 120.300 -0.363 0.000 2.335 415 Y HA 0.179 nan 4.550 nan 0.000 0.323 415 Y C -0.321 175.553 175.900 -0.043 0.000 1.224 415 Y CA -1.329 56.666 58.100 -0.176 0.000 1.241 415 Y CB 1.142 39.498 38.460 -0.175 0.000 1.235 415 Y HN -0.250 7.617 8.280 -0.688 0.000 0.492 416 V N 4.244 124.283 119.914 0.208 0.000 2.326 416 V HA 0.047 nan 4.120 nan 0.000 0.249 416 V C -0.237 175.950 176.094 0.155 0.000 1.114 416 V CA -0.004 62.379 62.300 0.139 0.000 1.028 416 V CB -2.090 29.796 31.823 0.106 0.000 1.170 416 V HN 0.154 8.497 8.190 0.255 0.000 0.494 417 I N 3.079 123.736 120.570 0.146 0.000 3.156 417 I HA 0.608 nan 4.170 nan 0.000 0.306 417 I C -1.500 174.686 176.117 0.115 0.000 1.048 417 I CA -0.912 60.475 61.300 0.145 0.000 1.207 417 I CB 1.423 39.498 38.000 0.125 0.000 1.456 417 I HN -0.129 8.156 8.210 0.125 0.000 0.616 418 K N -0.543 119.923 120.400 0.110 0.000 2.565 418 K HA 0.373 nan 4.320 nan 0.000 0.249 418 K C -1.737 174.934 176.600 0.119 0.000 0.958 418 K CA -1.274 55.074 56.287 0.101 0.000 0.806 418 K CB 3.921 36.465 32.500 0.073 0.000 1.194 418 K HN 0.294 8.614 8.250 0.116 0.000 0.434 419 A N 6.811 129.723 122.820 0.152 0.000 2.477 419 A HA 0.009 nan 4.320 nan 0.000 0.246 419 A C -1.092 176.587 177.584 0.158 0.000 1.078 419 A CA 1.104 53.264 52.037 0.205 0.000 0.770 419 A CB 0.217 19.423 19.000 0.342 0.000 1.011 419 A HN 0.576 8.815 8.150 0.148 0.000 0.494 420 E N 2.783 123.073 120.200 0.151 0.000 3.823 420 E HA 0.153 nan 4.350 nan 0.000 0.225 420 E C -0.981 175.686 176.600 0.112 0.000 1.257 420 E CA 0.857 57.326 56.400 0.115 0.000 1.684 420 E CB 3.032 32.786 29.700 0.089 0.000 1.550 420 E HN 0.071 8.525 8.360 0.157 0.000 0.709 421 R N 0.844 121.426 120.500 0.136 0.000 2.451 421 R HA 0.320 nan 4.340 nan 0.000 0.307 421 R C -2.031 174.413 176.300 0.241 0.000 0.965 421 R CA -1.256 54.918 56.100 0.124 0.000 0.865 421 R CB 1.900 32.204 30.300 0.007 0.000 1.174 421 R HN -0.143 8.232 8.270 0.175 0.000 0.455 422 V N 4.307 124.304 119.914 0.137 0.000 3.262 422 V HA 0.530 nan 4.120 nan 0.000 0.313 422 V C -1.215 174.985 176.094 0.176 0.000 1.070 422 V CA -1.666 60.684 62.300 0.084 0.000 1.049 422 V CB 1.406 33.222 31.823 -0.012 0.000 1.157 422 V HN 0.332 8.582 8.190 0.101 0.000 0.454 423 E N 0.417 120.698 120.200 0.135 0.000 2.287 423 E HA 0.266 nan 4.350 nan 0.000 0.274 423 E C -2.156 174.480 176.600 0.061 0.000 0.896 423 E CA -0.996 55.494 56.400 0.151 0.000 0.788 423 E CB 3.544 33.440 29.700 0.327 0.000 1.244 423 E HN 0.175 8.556 8.360 0.034 0.000 0.408 424 K N 5.079 125.506 120.400 0.045 0.000 2.118 424 K HA 0.184 nan 4.320 nan 0.000 0.254 424 K C -1.179 175.437 176.600 0.027 0.000 0.961 424 K CA -1.347 54.957 56.287 0.029 0.000 0.876 424 K CB 1.759 34.276 32.500 0.028 0.000 1.077 424 K HN 0.222 8.500 8.250 0.047 0.000 0.440 425 D N 1.236 121.649 120.400 0.022 0.000 2.341 425 D HA -0.044 nan 4.640 nan 0.000 0.245 425 D C 0.440 176.752 176.300 0.019 0.000 1.106 425 D CA -0.154 53.859 54.000 0.021 0.000 0.905 425 D CB 2.271 43.083 40.800 0.021 0.000 1.202 425 D HN 0.370 8.608 8.370 0.020 0.144 0.426 426 A N 3.923 126.753 122.820 0.017 0.000 1.940 426 A HA -0.269 nan 4.320 nan 0.000 0.221 426 A C 1.640 179.233 177.584 0.014 0.000 1.190 426 A CA 2.809 54.854 52.037 0.014 0.000 0.647 426 A CB -0.172 18.835 19.000 0.012 0.000 0.821 426 A HN 0.551 8.711 8.150 0.017 0.000 0.457 427 E N -0.992 119.217 120.200 0.015 0.000 2.545 427 E HA -0.017 nan 4.350 nan 0.000 0.271 427 E C -0.054 176.556 176.600 0.017 0.000 1.508 427 E CA -1.551 54.858 56.400 0.015 0.000 1.774 427 E CB -2.210 27.498 29.700 0.013 0.000 1.460 427 E HN -0.482 8.059 8.360 0.015 -0.171 0.449 428 G N -1.805 107.006 108.800 0.019 0.000 2.205 428 G HA2 -0.512 nan 3.960 nan 0.000 0.269 428 G HA3 -0.512 nan 3.960 nan 0.000 0.269 428 G C -0.207 174.710 174.900 0.028 0.000 0.977 428 G CA 0.798 45.912 45.100 0.023 0.000 0.652 428 G HN -0.072 8.128 8.290 0.018 0.101 0.539 429 N N 0.536 119.251 118.700 0.026 0.000 2.364 429 N HA 0.039 nan 4.740 nan 0.000 0.264 429 N C -1.400 174.124 175.510 0.024 0.000 1.263 429 N CA -0.602 52.465 53.050 0.028 0.000 0.959 429 N CB 1.267 39.769 38.487 0.025 0.000 1.204 429 N HN -0.700 7.768 8.380 0.022 -0.075 0.550 430 I N -1.183 119.398 120.570 0.019 0.000 2.330 430 I HA 0.150 nan 4.170 nan 0.000 0.289 430 I C -0.254 175.854 176.117 -0.015 0.000 1.001 430 I CA -0.659 60.635 61.300 -0.009 0.000 1.193 430 I CB 0.034 38.009 38.000 -0.042 0.000 1.345 430 I HN 0.136 8.361 8.210 0.026 0.000 0.461 431 T N 4.590 119.135 114.554 -0.015 0.000 2.937 431 T HA -0.004 nan 4.350 nan 0.000 0.260 431 T C -0.081 174.578 174.700 -0.068 0.000 1.051 431 T CA 1.453 63.545 62.100 -0.013 0.000 1.141 431 T CB 0.609 69.482 68.868 0.008 0.000 0.879 431 T HN 0.446 8.581 8.240 -0.006 0.101 0.459 432 T N 0.356 114.826 114.554 -0.139 0.000 2.786 432 T HA 0.390 nan 4.350 nan 0.000 0.316 432 T C -2.610 171.825 174.700 -0.441 0.000 1.503 432 T CA -0.057 61.851 62.100 -0.320 0.000 1.019 432 T CB 2.620 71.201 68.868 -0.478 0.000 1.415 432 T HN -0.633 7.548 8.240 -0.097 0.000 0.496 433 I N 1.363 121.578 120.570 -0.591 0.000 2.509 433 I HA 0.756 nan 4.170 nan 0.000 0.293 433 I C -1.682 174.038 176.117 -0.662 0.000 1.020 433 I CA -1.505 59.471 61.300 -0.540 0.000 1.088 433 I CB 3.746 41.439 38.000 -0.512 0.000 1.267 433 I HN 0.097 7.965 8.210 -0.570 0.000 0.430 434 F N 4.362 124.234 119.950 -0.130 0.000 2.467 434 F HA 0.705 nan 4.527 nan 0.000 0.336 434 F C -0.963 174.813 175.800 -0.040 0.000 1.123 434 F CA -1.558 56.395 58.000 -0.077 0.000 0.964 434 F CB 2.053 41.016 39.000 -0.061 0.000 1.136 434 F HN 0.238 8.573 8.300 0.057 0.000 0.447 435 C N 2.451 121.824 119.300 0.121 0.000 3.173 435 C HA 0.843 nan 4.460 nan 0.000 0.310 435 C C -1.285 173.772 174.990 0.113 0.000 1.306 435 C CA -1.681 57.402 59.018 0.107 0.000 1.426 435 C CB 3.991 31.780 27.740 0.083 0.000 1.800 435 C HN 0.403 8.687 8.230 0.092 0.000 0.470 436 T N -1.917 112.699 114.554 0.103 0.000 2.907 436 T HA 0.489 nan 4.350 nan 0.000 0.284 436 T C -1.936 172.842 174.700 0.129 0.000 1.004 436 T CA -1.440 60.717 62.100 0.095 0.000 1.063 436 T CB 1.733 70.621 68.868 0.034 0.000 0.992 436 T HN 0.551 8.849 8.240 0.095 0.000 0.483 437 Y N 0.530 120.834 120.300 0.007 0.000 2.487 437 Y HA 0.516 nan 4.550 nan 0.000 0.337 437 Y C -1.938 173.926 175.900 -0.060 0.000 1.076 437 Y CA -2.910 55.178 58.100 -0.020 0.000 1.115 437 Y CB 2.248 40.686 38.460 -0.037 0.000 1.235 437 Y HN -0.033 8.338 8.280 0.152 0.000 0.468 438 D N 2.475 122.781 120.400 -0.157 0.000 2.427 438 D HA 0.081 nan 4.640 nan 0.000 0.226 438 D C -0.556 175.603 176.300 -0.236 0.000 1.076 438 D CA -2.361 51.485 54.000 -0.257 0.000 0.849 438 D CB 1.100 41.873 40.800 -0.044 0.000 1.052 438 D HN -0.133 8.328 8.370 0.152 0.000 0.515 439 A N 4.208 126.708 122.820 -0.533 0.000 2.186 439 A HA -0.199 nan 4.320 nan 0.000 0.219 439 A C 0.497 178.134 177.584 0.088 0.000 1.159 439 A CA 1.778 53.725 52.037 -0.151 0.000 0.680 439 A CB -0.218 18.675 19.000 -0.179 0.000 0.787 439 A HN 0.545 8.231 8.150 -0.774 0.000 0.467 440 D N -1.265 119.169 120.400 0.057 0.000 3.088 440 D HA 0.161 nan 4.640 nan 0.000 0.310 440 D C -1.036 175.339 176.300 0.125 0.000 1.351 440 D CA -0.453 53.603 54.000 0.093 0.000 0.921 440 D CB 0.444 41.263 40.800 0.032 0.000 1.045 440 D HN -0.555 8.018 8.370 -0.015 -0.212 0.504 441 T N -2.071 112.627 114.554 0.241 0.000 3.133 441 T HA 0.372 nan 4.350 nan 0.000 0.368 441 T C -1.578 173.181 174.700 0.098 0.000 1.190 441 T CA -1.403 60.808 62.100 0.185 0.000 1.282 441 T CB -0.361 68.632 68.868 0.209 0.000 1.042 441 T HN -0.540 7.884 8.240 0.409 0.061 0.536 455 V N 0.422 120.365 119.914 0.048 0.000 2.834 455 V HA 0.693 nan 4.120 nan 0.000 0.313 455 V C -0.588 175.564 176.094 0.097 0.000 1.060 455 V CA -1.400 60.950 62.300 0.082 0.000 0.989 455 V CB 1.476 33.349 31.823 0.084 0.000 1.041 455 V HN 0.068 8.278 8.190 0.034 0.000 0.459 456 I N -2.619 118.041 120.570 0.150 0.000 2.894 456 I HA 0.529 nan 4.170 nan 0.000 0.302 456 I C -2.267 174.003 176.117 0.255 0.000 1.188 456 I CA -1.710 59.685 61.300 0.158 0.000 1.014 456 I CB 4.181 42.242 38.000 0.101 0.000 1.242 456 I HN 0.440 8.759 8.210 0.182 0.000 0.430 457 H N -1.037 118.105 119.070 0.119 0.000 2.495 457 H HA 0.467 nan 4.556 nan 0.000 0.350 457 H C -0.789 174.634 175.328 0.158 0.000 1.202 457 H CA -1.593 54.473 56.048 0.031 0.000 1.322 457 H CB 1.711 31.389 29.762 -0.140 0.000 1.544 457 H HN 0.058 8.411 8.280 0.121 0.000 0.565 458 W N -5.472 115.844 121.300 0.027 0.000 2.959 458 W HA 0.422 nan 4.660 nan 0.000 0.358 458 W C -2.248 174.280 176.519 0.016 0.000 1.228 458 W CA -0.947 56.388 57.345 -0.016 0.000 1.183 458 W CB 1.689 31.142 29.460 -0.012 0.000 1.467 458 W HN -0.390 7.415 8.180 -0.625 0.000 0.578 459 V N 0.176 120.297 119.914 0.344 0.000 2.624 459 V HA 0.124 nan 4.120 nan 0.000 0.294 459 V C -0.951 175.297 176.094 0.256 0.000 1.077 459 V CA -0.359 62.069 62.300 0.212 0.000 0.905 459 V CB 2.433 34.333 31.823 0.127 0.000 1.025 459 V HN -0.067 8.381 8.190 0.431 0.000 0.440 460 S N 6.939 122.774 115.700 0.225 0.000 2.811 460 S HA -0.194 nan 4.470 nan 0.000 0.325 460 S C 1.351 175.848 174.600 -0.173 0.000 1.224 460 S CA 0.569 58.747 58.200 -0.036 0.000 1.125 460 S CB 0.664 63.914 63.200 0.083 0.000 0.867 460 S HN 0.467 8.985 8.310 0.345 0.000 0.512 461 A N 7.901 130.442 122.820 -0.465 0.000 1.903 461 A HA -0.319 nan 4.320 nan 0.000 0.219 461 A C 1.536 178.881 177.584 -0.399 0.000 1.191 461 A CA 3.047 54.680 52.037 -0.673 0.000 0.638 461 A CB -0.603 17.777 19.000 -1.033 0.000 0.823 461 A HN 0.334 8.154 8.150 -0.550 0.000 0.451 462 A N -1.963 120.579 122.820 -0.463 0.000 1.933 462 A HA -0.181 nan 4.320 nan 0.000 0.218 462 A C 0.908 178.272 177.584 -0.365 0.000 1.175 462 A CA 2.555 54.314 52.037 -0.464 0.000 0.628 462 A CB -0.237 18.372 19.000 -0.653 0.000 0.814 462 A HN 0.431 8.259 8.150 -0.522 0.009 0.444 463 H N -3.609 115.421 119.070 -0.067 0.000 2.520 463 H HA 0.124 nan 4.556 nan 0.000 0.284 463 H C -1.171 174.150 175.328 -0.010 0.000 1.037 463 H CA -1.413 54.619 56.048 -0.026 0.000 1.168 463 H CB -0.005 29.749 29.762 -0.013 0.000 1.497 463 H HN -0.322 7.587 8.280 -0.428 0.114 0.547 464 A N 0.378 123.229 122.820 0.052 0.000 2.401 464 A HA -0.034 nan 4.320 nan 0.000 0.259 464 A C -1.143 176.520 177.584 0.131 0.000 1.103 464 A CA 0.218 52.300 52.037 0.076 0.000 0.789 464 A CB 0.799 19.807 19.000 0.014 0.000 1.035 464 A HN -0.605 7.352 8.150 -0.033 0.173 0.491 465 L N 4.158 125.463 121.223 0.137 0.000 2.264 465 L HA 0.450 nan 4.340 nan 0.000 0.289 465 L C -2.310 174.666 176.870 0.177 0.000 1.044 465 L CA -3.438 51.479 54.840 0.129 0.000 0.807 465 L CB 1.671 43.760 42.059 0.051 0.000 1.192 465 L HN 0.368 8.652 8.230 0.089 0.000 0.425 466 P HA 0.012 nan 4.420 nan 0.000 0.265 466 P C -1.933 175.359 177.300 -0.013 0.000 1.222 466 P CA 0.145 63.284 63.100 0.064 0.000 0.767 466 P CB -0.245 31.503 31.700 0.079 0.000 0.801 467 V N 6.197 126.038 119.914 -0.121 0.000 2.686 467 V HA 0.259 nan 4.120 nan 0.000 0.306 467 V C -2.153 173.914 176.094 -0.046 0.000 1.065 467 V CA -1.624 60.663 62.300 -0.021 0.000 0.894 467 V CB 4.443 36.253 31.823 -0.022 0.000 1.004 467 V HN 0.109 8.129 8.190 -0.283 0.000 0.424 468 E N 7.245 127.480 120.200 0.058 0.000 2.313 468 E HA 0.688 nan 4.350 nan 0.000 0.272 468 E C -1.500 175.176 176.600 0.127 0.000 1.038 468 E CA -1.194 55.225 56.400 0.031 0.000 0.863 468 E CB 2.377 32.092 29.700 0.024 0.000 1.060 468 E HN -0.080 8.355 8.360 0.125 0.000 0.402 469 I N 3.250 123.865 120.570 0.075 0.000 2.582 469 I HA 0.504 nan 4.170 nan 0.000 0.292 469 I C -1.727 174.417 176.117 0.045 0.000 1.066 469 I CA -1.253 60.145 61.300 0.163 0.000 1.053 469 I CB 3.309 41.425 38.000 0.193 0.000 1.241 469 I HN 0.717 8.828 8.210 0.002 0.100 0.421 470 R N 5.203 125.708 120.500 0.008 0.000 2.320 470 R HA 0.503 nan 4.340 nan 0.000 0.319 470 R C -1.444 174.571 176.300 -0.474 0.000 0.969 470 R CA -1.522 54.403 56.100 -0.292 0.000 0.857 470 R CB 1.209 31.304 30.300 -0.341 0.000 1.160 470 R HN 0.778 9.129 8.270 0.136 0.000 0.491 471 L N 5.955 126.951 121.223 -0.379 0.000 2.261 471 L HA 0.184 nan 4.340 nan 0.000 0.289 471 L C -1.457 175.194 176.870 -0.365 0.000 1.059 471 L CA -0.609 54.062 54.840 -0.281 0.000 0.816 471 L CB 0.309 42.296 42.059 -0.120 0.000 1.191 471 L HN 0.203 8.255 8.230 -0.297 0.000 0.431 472 Y N 3.402 123.662 120.300 -0.067 0.000 2.334 472 Y HA 0.347 nan 4.550 nan 0.000 0.328 472 Y C -0.872 174.990 175.900 -0.063 0.000 1.130 472 Y CA -0.660 57.406 58.100 -0.057 0.000 1.163 472 Y CB 1.795 40.225 38.460 -0.049 0.000 1.207 472 Y HN 0.275 8.489 8.280 -0.109 0.000 0.471 473 D N 1.109 121.570 120.400 0.101 0.000 2.714 473 D HA 0.351 nan 4.640 nan 0.000 0.278 473 D C -1.316 174.983 176.300 -0.003 0.000 1.102 473 D CA -2.815 51.194 54.000 0.014 0.000 1.108 473 D CB 3.877 44.660 40.800 -0.029 0.000 1.444 473 D HN 0.582 8.906 8.370 0.131 0.124 0.568 474 R N -0.722 119.740 120.500 -0.062 0.000 2.679 474 R HA 0.019 nan 4.340 nan 0.000 0.268 474 R C -0.395 175.868 176.300 -0.061 0.000 1.044 474 R CA 0.253 56.320 56.100 -0.056 0.000 1.105 474 R CB 0.183 30.401 30.300 -0.137 0.000 0.989 474 R HN 0.242 8.451 8.270 -0.101 0.000 0.447 475 L N -0.431 120.748 121.223 -0.073 0.000 2.141 475 L HA 0.023 nan 4.340 nan 0.000 0.209 475 L C -0.281 176.266 176.870 -0.538 0.000 1.094 475 L CA 2.076 56.729 54.840 -0.311 0.000 0.763 475 L CB 0.823 42.635 42.059 -0.410 0.000 0.908 475 L HN 0.460 8.692 8.230 0.003 0.000 0.437 476 F N -4.953 115.057 119.950 0.100 0.000 2.507 476 F HA 0.125 nan 4.527 nan 0.000 0.327 476 F C -0.885 175.020 175.800 0.174 0.000 1.068 476 F CA -0.771 57.307 58.000 0.131 0.000 0.965 476 F CB 2.651 41.749 39.000 0.164 0.000 1.192 476 F HN -0.894 7.531 8.300 0.208 0.000 0.476 477 S N 0.226 116.118 115.700 0.319 0.000 2.577 477 S HA 0.073 nan 4.470 nan 0.000 0.219 477 S C -0.423 174.369 174.600 0.320 0.000 0.962 477 S CA 0.497 58.840 58.200 0.240 0.000 0.921 477 S CB 0.563 63.837 63.200 0.124 0.000 0.789 477 S HN 0.422 8.926 8.310 0.323 0.000 0.497 478 V N -4.863 115.266 119.914 0.357 0.000 3.001 478 V HA 0.549 nan 4.120 nan 0.000 0.314 478 V C -2.504 173.569 176.094 -0.036 0.000 1.099 478 V CA -3.391 59.019 62.300 0.182 0.000 0.989 478 V CB 1.187 33.057 31.823 0.079 0.000 1.040 478 V HN -0.557 7.818 8.190 0.418 0.066 0.434 479 P HA 0.069 nan 4.420 nan 0.000 0.220 479 P C -1.019 176.031 177.300 -0.416 0.000 1.152 479 P CA 1.306 63.897 63.100 -0.848 0.000 0.812 479 P CB 0.663 31.990 31.700 -0.621 0.000 0.792 480 N N -3.184 115.370 118.700 -0.242 0.000 2.818 480 N HA 0.330 nan 4.740 nan 0.000 0.301 480 N C -1.274 174.121 175.510 -0.191 0.000 1.821 480 N CA -3.415 49.516 53.050 -0.197 0.000 0.930 480 N CB -1.101 37.294 38.487 -0.153 0.000 1.263 480 N HN -0.029 8.234 8.380 -0.195 0.000 0.487 481 P HA -0.173 nan 4.420 nan 0.000 0.222 481 P C 1.213 178.343 177.300 -0.283 0.000 1.142 481 P CA 1.509 64.423 63.100 -0.311 0.000 0.788 481 P CB 0.104 31.283 31.700 -0.868 0.000 0.767 482 G N -0.862 107.756 108.800 -0.303 0.000 2.433 482 G HA2 -0.214 nan 3.960 nan 0.000 0.216 482 G HA3 -0.214 nan 3.960 nan 0.000 0.216 482 G C -0.199 174.591 174.900 -0.183 0.000 1.186 482 G CA 0.938 45.870 45.100 -0.280 0.000 0.779 482 G HN -0.402 7.729 8.290 -0.299 -0.020 0.543 483 A N 0.871 123.607 122.820 -0.140 0.000 2.236 483 A HA -0.026 nan 4.320 nan 0.000 0.214 483 A C -1.095 176.452 177.584 -0.062 0.000 1.287 483 A CA 0.117 52.097 52.037 -0.095 0.000 0.909 483 A CB -0.462 18.486 19.000 -0.086 0.000 0.839 483 A HN -0.428 7.972 8.150 -0.152 -0.341 0.486 484 A N -1.526 121.265 122.820 -0.048 0.000 2.306 484 A HA 0.177 nan 4.320 nan 0.000 0.330 484 A C 0.553 178.152 177.584 0.024 0.000 1.146 484 A CA -1.261 50.775 52.037 -0.002 0.000 0.827 484 A CB 1.578 20.593 19.000 0.026 0.000 1.178 484 A HN -0.974 7.013 8.150 -0.072 0.120 0.490 485 D N -0.083 120.334 120.400 0.027 0.000 2.221 485 D HA -0.223 nan 4.640 nan 0.000 0.204 485 D C -0.361 175.980 176.300 0.067 0.000 0.982 485 D CA 2.493 56.513 54.000 0.033 0.000 0.857 485 D CB 0.178 40.991 40.800 0.022 0.000 0.934 485 D HN 0.320 8.701 8.370 0.019 0.000 0.475 486 D N -1.969 118.485 120.400 0.090 0.000 2.319 486 D HA 0.095 nan 4.640 nan 0.000 0.237 486 D C -0.272 176.113 176.300 0.142 0.000 1.353 486 D CA -0.533 53.540 54.000 0.122 0.000 0.992 486 D CB 0.493 41.319 40.800 0.042 0.000 1.368 486 D HN -0.795 7.593 8.370 0.074 0.026 0.564 487 F N 2.521 122.462 119.950 -0.015 0.000 2.202 487 F HA -0.180 nan 4.527 nan 0.000 0.301 487 F C 0.449 176.331 175.800 0.137 0.000 1.082 487 F CA 1.293 59.284 58.000 -0.016 0.000 1.313 487 F CB -0.644 38.265 39.000 -0.152 0.000 1.024 487 F HN 0.433 9.149 8.300 0.693 0.000 0.495 488 L N -0.195 120.648 121.223 -0.633 0.000 2.042 488 L HA -0.425 nan 4.340 nan 0.000 0.210 488 L C 1.934 178.665 176.870 -0.230 0.000 1.076 488 L CA 3.016 57.535 54.840 -0.535 0.000 0.749 488 L CB -1.035 40.696 42.059 -0.547 0.000 0.893 488 L HN -0.442 7.507 8.230 -0.684 -0.130 0.432 489 S N -3.664 111.957 115.700 -0.131 0.000 2.547 489 S HA -0.222 nan 4.470 nan 0.000 0.235 489 S C 0.943 175.535 174.600 -0.013 0.000 0.980 489 S CA 1.802 59.958 58.200 -0.073 0.000 0.941 489 S CB 0.096 63.272 63.200 -0.041 0.000 0.763 489 S HN -0.511 7.869 8.310 -0.116 -0.139 0.532 490 V N 1.371 121.320 119.914 0.057 0.000 3.271 490 V HA 0.175 nan 4.120 nan 0.000 0.327 490 V C -1.461 174.767 176.094 0.223 0.000 1.389 490 V CA -1.545 60.842 62.300 0.144 0.000 1.156 490 V CB 0.316 32.242 31.823 0.172 0.000 1.103 490 V HN -0.471 7.542 8.190 0.059 0.211 0.453 491 I N 0.925 121.527 120.570 0.053 0.000 2.754 491 I HA -0.172 nan 4.170 nan 0.000 0.285 491 I C -1.111 174.936 176.117 -0.117 0.000 1.166 491 I CA 0.873 62.074 61.300 -0.164 0.000 1.417 491 I CB 0.404 38.229 38.000 -0.292 0.000 1.382 491 I HN -0.412 7.716 8.210 -0.020 0.070 0.588 492 N N 5.904 124.507 118.700 -0.161 0.000 2.458 492 N HA 0.128 nan 4.740 nan 0.000 0.270 492 N C -0.208 175.244 175.510 -0.096 0.000 1.102 492 N CA -2.385 50.612 53.050 -0.089 0.000 0.967 492 N CB 1.009 39.447 38.487 -0.082 0.000 1.078 492 N HN 0.385 8.486 8.380 -0.280 0.111 0.471 493 P HA -0.000 nan 4.420 nan 0.000 0.241 493 P C -0.239 177.028 177.300 -0.054 0.000 1.191 493 P CA 0.945 64.007 63.100 -0.064 0.000 0.771 493 P CB 0.366 32.036 31.700 -0.050 0.000 0.929 494 E N -1.266 118.904 120.200 -0.050 0.000 2.423 494 E HA 0.150 nan 4.350 nan 0.000 0.198 494 E C -0.100 176.473 176.600 -0.044 0.000 1.038 494 E CA -0.973 55.400 56.400 -0.045 0.000 1.011 494 E CB -0.685 28.991 29.700 -0.039 0.000 1.118 494 E HN -0.221 8.432 8.360 -0.051 -0.323 0.451 495 S N -1.556 114.117 115.700 -0.045 0.000 2.419 495 S HA -0.213 nan 4.470 nan 0.000 0.233 495 S C -0.345 174.286 174.600 0.051 0.000 1.016 495 S CA 2.301 60.491 58.200 -0.016 0.000 0.974 495 S CB 0.595 63.763 63.200 -0.053 0.000 0.786 495 S HN -0.486 7.712 8.310 -0.059 0.076 0.492 496 L N -1.456 119.767 121.223 -0.000 0.000 2.482 496 L HA 0.473 nan 4.340 nan 0.000 0.269 496 L C -2.151 174.649 176.870 -0.117 0.000 0.967 496 L CA 0.129 54.926 54.840 -0.072 0.000 0.851 496 L CB 2.710 44.778 42.059 0.015 0.000 1.242 496 L HN -0.836 7.349 8.230 -0.023 0.032 0.404 497 V N 8.920 128.733 119.914 -0.169 0.000 2.409 497 V HA 0.507 nan 4.120 nan 0.000 0.290 497 V C -1.875 174.134 176.094 -0.142 0.000 1.017 497 V CA -1.608 60.619 62.300 -0.122 0.000 0.841 497 V CB 2.549 34.323 31.823 -0.082 0.000 1.003 497 V HN 1.053 8.990 8.190 -0.235 0.112 0.426 498 I N 8.588 129.086 120.570 -0.120 0.000 2.519 498 I HA 0.422 nan 4.170 nan 0.000 0.287 498 I C -0.325 175.742 176.117 -0.084 0.000 1.047 498 I CA 0.423 61.658 61.300 -0.108 0.000 1.381 498 I CB 0.741 38.682 38.000 -0.099 0.000 1.417 498 I HN 0.307 8.455 8.210 -0.103 0.000 0.540 499 K N 4.642 124.996 120.400 -0.076 0.000 2.480 499 K HA 0.472 nan 4.320 nan 0.000 0.258 499 K C -1.883 174.646 176.600 -0.117 0.000 0.990 499 K CA -2.561 53.674 56.287 -0.087 0.000 0.857 499 K CB 3.732 36.192 32.500 -0.067 0.000 1.384 499 K HN 0.616 8.826 8.250 -0.066 0.000 0.446 500 Q N 0.079 119.771 119.800 -0.181 0.000 2.325 500 Q HA 0.701 nan 4.340 nan 0.000 0.270 500 Q C -0.606 175.136 176.000 -0.431 0.000 1.020 500 Q CA -1.421 54.218 55.803 -0.273 0.000 0.785 500 Q CB 1.949 30.526 28.738 -0.269 0.000 1.259 500 Q HN 0.398 8.560 8.270 -0.179 0.000 0.452 501 G N 0.053 108.535 108.800 -0.529 0.000 3.135 501 G HA2 0.802 nan 3.960 nan 0.000 0.278 501 G HA3 0.802 nan 3.960 nan 0.000 0.278 501 G C -3.014 171.310 174.900 -0.959 0.000 1.302 501 G CA -0.648 44.044 45.100 -0.680 0.000 0.880 501 G HN 0.743 8.778 8.290 -0.425 0.000 0.574 502 F N -2.678 117.045 119.950 -0.378 0.000 2.576 502 F HA 0.747 nan 4.527 nan 0.000 0.313 502 F C -2.168 173.417 175.800 -0.359 0.000 1.078 502 F CA -1.670 56.123 58.000 -0.346 0.000 0.921 502 F CB 4.884 43.626 39.000 -0.430 0.000 1.232 502 F HN 0.315 8.397 8.300 -0.363 0.000 0.459 503 A N -0.285 122.451 122.820 -0.139 0.000 2.498 503 A HA 0.869 nan 4.320 nan 0.000 0.298 503 A C -2.171 175.276 177.584 -0.228 0.000 1.075 503 A CA -1.617 50.203 52.037 -0.362 0.000 0.714 503 A CB 3.386 22.015 19.000 -0.619 0.000 1.299 503 A HN 0.437 8.576 8.150 -0.018 0.000 0.407 504 E N 0.759 120.784 120.200 -0.293 0.000 2.442 504 E HA -0.015 nan 4.350 nan 0.000 0.262 504 E C -0.554 175.958 176.600 -0.146 0.000 1.004 504 E CA -1.413 54.870 56.400 -0.196 0.000 0.928 504 E CB -0.965 28.582 29.700 -0.255 0.000 0.937 504 E HN 0.175 8.285 8.360 -0.417 0.000 0.446 505 P HA -0.183 nan 4.420 nan 0.000 0.223 505 P C 0.822 178.098 177.300 -0.040 0.000 1.144 505 P CA 2.183 65.265 63.100 -0.030 0.000 0.783 505 P CB -0.344 31.358 31.700 0.004 0.000 0.771 506 S N 0.182 115.838 115.700 -0.074 0.000 2.423 506 S HA -0.202 nan 4.470 nan 0.000 0.231 506 S C 1.801 176.361 174.600 -0.067 0.000 1.014 506 S CA 2.769 60.936 58.200 -0.054 0.000 0.965 506 S CB -0.612 62.552 63.200 -0.059 0.000 0.785 506 S HN -0.313 7.890 8.310 -0.100 0.047 0.495 507 L N 1.288 122.428 121.223 -0.139 0.000 2.633 507 L HA -0.139 nan 4.340 nan 0.000 0.235 507 L C 1.417 178.326 176.870 0.064 0.000 1.163 507 L CA 0.630 55.394 54.840 -0.126 0.000 0.859 507 L CB -1.182 40.736 42.059 -0.235 0.000 0.973 507 L HN -0.356 7.743 8.230 -0.172 0.028 0.451 508 K N 0.455 120.881 120.400 0.044 0.000 2.283 508 K HA -0.223 nan 4.320 nan 0.000 0.202 508 K C 0.469 177.124 176.600 0.093 0.000 1.048 508 K CA 2.111 58.443 56.287 0.075 0.000 0.948 508 K CB 0.048 32.578 32.500 0.050 0.000 0.742 508 K HN -0.303 7.723 8.250 0.006 0.228 0.458 509 D N -2.027 118.432 120.400 0.099 0.000 2.463 509 D HA 0.143 nan 4.640 nan 0.000 0.224 509 D C -1.244 175.174 176.300 0.197 0.000 1.174 509 D CA -0.312 53.763 54.000 0.125 0.000 0.829 509 D CB -0.185 40.679 40.800 0.108 0.000 0.993 509 D HN -0.359 7.911 8.370 0.077 0.146 0.497 510 A N 0.821 123.788 122.820 0.245 0.000 2.440 510 A HA 0.011 nan 4.320 nan 0.000 0.251 510 A C -0.401 177.318 177.584 0.223 0.000 1.089 510 A CA 0.401 52.679 52.037 0.402 0.000 0.779 510 A CB 1.120 20.438 19.000 0.530 0.000 1.022 510 A HN -0.753 7.456 8.150 0.204 0.064 0.492 511 V N -3.952 116.080 119.914 0.197 0.000 2.612 511 V HA 0.176 nan 4.120 nan 0.000 0.301 511 V C 0.035 176.165 176.094 0.060 0.000 1.046 511 V CA -2.357 60.001 62.300 0.097 0.000 0.946 511 V CB 1.747 33.615 31.823 0.075 0.000 1.003 511 V HN -0.223 8.115 8.190 0.246 0.000 0.459 512 A N 2.053 124.888 122.820 0.025 0.000 2.561 512 A HA -0.189 nan 4.320 nan 0.000 0.251 512 A C 0.803 178.396 177.584 0.016 0.000 1.062 512 A CA 0.832 52.869 52.037 0.001 0.000 0.761 512 A CB -0.237 18.760 19.000 -0.005 0.000 0.986 512 A HN 0.199 8.365 8.150 0.026 0.000 0.510 513 G N 2.619 111.426 108.800 0.013 0.000 2.460 513 G HA2 -0.398 nan 3.960 nan 0.000 0.259 513 G HA3 -0.398 nan 3.960 nan 0.000 0.259 513 G C -1.435 173.476 174.900 0.017 0.000 0.959 513 G CA 0.407 45.524 45.100 0.028 0.000 1.330 513 G HN 0.041 8.330 8.290 -0.001 0.000 0.451 514 K N 3.199 123.589 120.400 -0.017 0.000 2.745 514 K HA 0.028 nan 4.320 nan 0.000 0.293 514 K C -1.832 174.624 176.600 -0.240 0.000 1.271 514 K CA -0.414 55.795 56.287 -0.130 0.000 1.060 514 K CB 1.026 33.440 32.500 -0.143 0.000 1.394 514 K HN -0.291 7.965 8.250 0.010 0.000 0.537 515 A N 3.812 126.547 122.820 -0.140 0.000 2.524 515 A HA 0.107 nan 4.320 nan 0.000 0.250 515 A C -0.772 176.725 177.584 -0.145 0.000 1.078 515 A CA 0.509 52.514 52.037 -0.052 0.000 0.761 515 A CB 0.157 19.165 19.000 0.014 0.000 1.012 515 A HN 0.090 8.184 8.150 -0.092 0.000 0.500 516 F N 2.227 122.277 119.950 0.166 0.000 2.523 516 F HA 0.333 nan 4.527 nan 0.000 0.329 516 F C -1.042 174.818 175.800 0.100 0.000 1.061 516 F CA -1.662 56.435 58.000 0.163 0.000 0.967 516 F CB 3.427 42.577 39.000 0.249 0.000 1.218 516 F HN 0.185 8.686 8.300 0.335 0.000 0.480 517 Q N 1.617 121.566 119.800 0.248 0.000 2.509 517 Q HA 0.308 nan 4.340 nan 0.000 0.236 517 Q C -0.696 175.336 176.000 0.053 0.000 1.073 517 Q CA -1.869 53.898 55.803 -0.061 0.000 0.867 517 Q CB 1.210 29.793 28.738 -0.258 0.000 1.181 517 Q HN 0.189 8.640 8.270 0.303 0.000 0.526 518 F N 5.569 125.410 119.950 -0.182 0.000 2.518 518 F HA -0.126 nan 4.527 nan 0.000 0.375 518 F C 0.175 175.750 175.800 -0.375 0.000 1.097 518 F CA -1.886 55.878 58.000 -0.393 0.000 1.108 518 F CB -1.305 37.245 39.000 -0.750 0.000 1.078 518 F HN 0.026 8.345 8.300 0.031 0.000 0.564 519 E N 5.424 125.506 120.200 -0.197 0.000 2.652 519 E HA -0.346 nan 4.350 nan 0.000 0.255 519 E C -0.025 176.391 176.600 -0.307 0.000 0.952 519 E CA 2.196 58.455 56.400 -0.235 0.000 0.947 519 E CB -0.313 29.259 29.700 -0.213 0.000 0.912 519 E HN -0.274 7.970 8.360 -0.194 0.000 0.489 520 R N 0.400 120.784 120.500 -0.193 0.000 3.977 520 R HA -0.347 nan 4.340 nan 0.000 0.428 520 R C -0.374 175.862 176.300 -0.106 0.000 1.079 520 R CA 2.237 58.257 56.100 -0.133 0.000 1.269 520 R CB -1.817 28.437 30.300 -0.077 0.000 1.856 520 R HN 0.771 8.942 8.270 -0.164 0.000 0.551 521 E N -2.177 117.962 120.200 -0.102 0.000 2.694 521 E HA 0.357 nan 4.350 nan 0.000 0.224 521 E C -0.972 175.709 176.600 0.135 0.000 1.068 521 E CA -0.079 56.354 56.400 0.055 0.000 1.043 521 E CB 2.105 31.866 29.700 0.101 0.000 2.367 521 E HN -0.270 7.925 8.360 -0.146 0.077 0.565 522 G N -4.561 104.429 108.800 0.317 0.000 2.550 522 G HA2 0.343 nan 3.960 nan 0.000 0.293 522 G HA3 0.343 nan 3.960 nan 0.000 0.293 522 G C -2.588 172.405 174.900 0.156 0.000 1.402 522 G CA 0.133 45.318 45.100 0.143 0.000 0.784 522 G HN -0.744 7.849 8.290 0.504 0.000 0.482 523 Y N -2.111 118.227 120.300 0.063 0.000 2.377 523 Y HA 0.300 nan 4.550 nan 0.000 0.330 523 Y C -0.713 175.164 175.900 -0.038 0.000 1.108 523 Y CA 0.355 58.488 58.100 0.054 0.000 1.308 523 Y CB 0.337 38.768 38.460 -0.047 0.000 1.216 523 Y HN -0.367 8.118 8.280 0.342 0.000 0.518 524 F N 1.907 121.731 119.950 -0.211 0.000 2.618 524 F HA 0.755 nan 4.527 nan 0.000 0.332 524 F C -1.683 174.137 175.800 0.032 0.000 1.061 524 F CA -1.936 55.927 58.000 -0.228 0.000 0.974 524 F CB 4.512 43.023 39.000 -0.815 0.000 1.310 524 F HN 0.649 9.062 8.300 0.188 0.000 0.491 525 C N -2.489 116.999 119.300 0.313 0.000 3.082 525 C HA 0.621 nan 4.460 nan 0.000 0.324 525 C C -2.096 172.925 174.990 0.051 0.000 1.210 525 C CA -2.409 56.749 59.018 0.232 0.000 1.366 525 C CB 3.299 31.104 27.740 0.107 0.000 1.756 525 C HN 0.757 9.167 8.230 0.300 0.000 0.485 526 L N 1.723 122.849 121.223 -0.161 0.000 2.513 526 L HA 0.048 nan 4.340 nan 0.000 0.272 526 L C -0.920 175.851 176.870 -0.165 0.000 1.187 526 L CA 0.831 55.404 54.840 -0.445 0.000 0.895 526 L CB 0.728 42.557 42.059 -0.383 0.000 1.147 526 L HN 0.613 8.841 8.230 -0.003 0.000 0.483 527 D N 6.739 127.070 120.400 -0.116 0.000 2.339 527 D HA 0.051 nan 4.640 nan 0.000 0.256 527 D C -0.086 176.191 176.300 -0.039 0.000 1.214 527 D CA 0.055 54.044 54.000 -0.018 0.000 0.877 527 D CB 1.467 42.317 40.800 0.084 0.000 1.111 527 D HN 0.324 8.484 8.370 -0.163 0.113 0.478 528 S N 6.907 122.577 115.700 -0.050 0.000 2.380 528 S HA -0.386 nan 4.470 nan 0.000 0.217 528 S C 1.512 176.078 174.600 -0.057 0.000 1.036 528 S CA 3.229 61.402 58.200 -0.047 0.000 1.050 528 S CB -0.085 63.087 63.200 -0.047 0.000 1.016 528 S HN 0.532 8.812 8.310 -0.050 0.000 0.419 529 R N -0.285 120.144 120.500 -0.119 0.000 2.208 529 R HA -0.329 nan 4.340 nan 0.000 0.262 529 R C 1.439 177.628 176.300 -0.184 0.000 1.166 529 R CA 2.641 58.614 56.100 -0.212 0.000 0.987 529 R CB -0.184 29.881 30.300 -0.390 0.000 0.887 529 R HN 0.166 8.365 8.270 -0.118 0.000 0.459 530 H N -4.623 114.453 119.070 0.011 0.000 2.545 530 H HA 0.159 nan 4.556 nan 0.000 0.283 530 H C 0.441 175.774 175.328 0.008 0.000 0.997 530 H CA 0.068 56.124 56.048 0.014 0.000 1.269 530 H CB 1.282 31.060 29.762 0.027 0.000 1.451 530 H HN -0.181 8.256 8.280 -0.025 -0.172 0.508 531 S N 0.373 116.143 115.700 0.117 0.000 2.560 531 S HA -0.161 nan 4.470 nan 0.000 0.276 531 S C -0.860 173.771 174.600 0.052 0.000 1.350 531 S CA 2.056 60.289 58.200 0.056 0.000 1.024 531 S CB 0.589 63.782 63.200 -0.012 0.000 0.864 531 S HN -0.452 7.911 8.310 0.089 0.000 0.536 532 T N 0.083 114.665 114.554 0.047 0.000 2.618 532 T HA 0.224 nan 4.350 nan 0.000 0.286 532 T C -0.495 174.231 174.700 0.044 0.000 1.027 532 T CA -0.740 61.386 62.100 0.043 0.000 1.063 532 T CB 1.385 70.278 68.868 0.043 0.000 1.440 532 T HN -0.090 8.179 8.240 0.049 0.000 0.505 533 A N 0.111 122.957 122.820 0.042 0.000 1.832 533 A HA -0.048 nan 4.320 nan 0.000 0.214 533 A C 1.136 178.751 177.584 0.051 0.000 1.200 533 A CA 1.860 53.924 52.037 0.044 0.000 0.610 533 A CB -0.220 18.803 19.000 0.039 0.000 0.842 533 A HN 0.495 8.668 8.150 0.039 0.000 0.444 534 E N -0.446 119.782 120.200 0.048 0.000 2.021 534 E HA -0.100 nan 4.350 nan 0.000 0.189 534 E C 0.360 176.995 176.600 0.059 0.000 0.980 534 E CA 0.602 57.033 56.400 0.052 0.000 0.803 534 E CB 0.389 30.116 29.700 0.044 0.000 0.766 534 E HN 0.157 8.543 8.360 0.042 0.000 0.449 535 K N 0.290 120.721 120.400 0.052 0.000 2.231 535 K HA 0.366 nan 4.320 nan 0.000 0.275 535 K C -2.470 174.174 176.600 0.073 0.000 1.105 535 K CA -2.904 53.416 56.287 0.055 0.000 0.931 535 K CB 0.434 32.953 32.500 0.031 0.000 1.296 535 K HN -0.751 7.526 8.250 0.045 0.000 0.446 536 P HA 0.332 nan 4.420 nan 0.000 0.276 536 P C -1.855 175.533 177.300 0.148 0.000 1.261 536 P CA -0.742 62.428 63.100 0.118 0.000 0.800 536 P CB 1.067 32.909 31.700 0.235 0.000 1.066 537 V N -1.283 118.669 119.914 0.064 0.000 2.525 537 V HA 0.507 nan 4.120 nan 0.000 0.299 537 V C -1.313 174.813 176.094 0.052 0.000 1.034 537 V CA -0.494 61.884 62.300 0.130 0.000 0.863 537 V CB 2.543 34.443 31.823 0.127 0.000 0.999 537 V HN 0.489 8.636 8.190 -0.071 0.000 0.423 538 F N 6.754 126.811 119.950 0.178 0.000 2.402 538 F HA 0.485 nan 4.527 nan 0.000 0.355 538 F C -1.120 174.820 175.800 0.233 0.000 1.123 538 F CA -1.761 56.382 58.000 0.237 0.000 1.021 538 F CB 2.383 41.579 39.000 0.327 0.000 1.160 538 F HN 0.448 9.049 8.300 0.501 0.000 0.451 539 N N 4.407 123.292 118.700 0.308 0.000 2.499 539 N HA 0.398 nan 4.740 nan 0.000 0.281 539 N C -1.474 174.083 175.510 0.079 0.000 1.098 539 N CA -0.072 53.150 53.050 0.286 0.000 0.979 539 N CB 1.337 40.020 38.487 0.327 0.000 1.121 539 N HN 0.657 9.169 8.380 0.221 0.000 0.466 540 R N 4.401 124.828 120.500 -0.122 0.000 2.210 540 R HA 0.184 nan 4.340 nan 0.000 0.338 540 R C 0.626 176.789 176.300 -0.228 0.000 1.062 540 R CA -0.068 55.633 56.100 -0.665 0.000 0.902 540 R CB 0.421 30.235 30.300 -0.810 0.000 1.050 540 R HN 0.128 8.395 8.270 -0.005 0.000 0.461 541 T N 7.831 122.246 114.554 -0.230 0.000 2.668 541 T HA -0.161 nan 4.350 nan 0.000 0.262 541 T C -0.588 174.045 174.700 -0.110 0.000 1.045 541 T CA 4.477 66.507 62.100 -0.117 0.000 1.152 541 T CB 0.355 69.132 68.868 -0.153 0.000 0.864 541 T HN 0.183 8.230 8.240 -0.321 0.000 0.419 542 V N -1.018 118.824 119.914 -0.120 0.000 3.077 542 V HA 0.330 nan 4.120 nan 0.000 0.299 542 V C -2.103 173.997 176.094 0.012 0.000 1.276 542 V CA -1.499 60.770 62.300 -0.052 0.000 0.993 542 V CB 3.158 34.929 31.823 -0.086 0.000 1.076 542 V HN -0.842 7.274 8.190 -0.124 0.000 0.434 543 G N 2.904 111.710 108.800 0.011 0.000 2.616 543 G HA2 0.436 nan 3.960 nan 0.000 0.268 543 G HA3 0.436 nan 3.960 nan 0.000 0.268 543 G C -1.574 173.384 174.900 0.096 0.000 1.213 543 G CA -0.735 44.387 45.100 0.036 0.000 0.926 543 G HN 0.089 8.379 8.290 0.001 0.000 0.523 544 L N -0.905 120.362 121.223 0.073 0.000 2.416 544 L HA 0.146 nan 4.340 nan 0.000 0.262 544 L C -0.002 176.904 176.870 0.061 0.000 1.093 544 L CA -1.586 53.300 54.840 0.077 0.000 0.801 544 L CB 1.629 43.696 42.059 0.012 0.000 1.191 544 L HN -0.480 7.782 8.230 0.052 0.000 0.459 545 R N 1.792 122.330 120.500 0.063 0.000 2.474 545 R HA -0.218 nan 4.340 nan 0.000 0.339 545 R C -0.646 175.674 176.300 0.033 0.000 1.033 545 R CA 0.761 56.889 56.100 0.047 0.000 0.997 545 R CB -0.155 30.174 30.300 0.048 0.000 0.963 545 R HN 0.248 8.564 8.270 0.078 0.000 0.438 546 D N 6.015 126.433 120.400 0.030 0.000 2.249 546 D HA 0.110 nan 4.640 nan 0.000 0.246 546 D C -0.895 175.417 176.300 0.021 0.000 1.114 546 D CA 0.111 54.125 54.000 0.023 0.000 0.854 546 D CB 1.341 42.155 40.800 0.023 0.000 1.132 546 D HN -0.026 8.363 8.370 0.032 0.000 0.461 547 T N 0.000 114.564 114.554 0.017 0.000 3.816 547 T HA 0.000 nan 4.350 nan 0.000 0.228 547 T CA 0.000 62.110 62.100 0.017 0.000 1.349 547 T CB 0.000 68.880 68.868 0.020 0.000 0.612 547 T HN 0.000 8.248 8.240 0.012 0.000 0.658