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 3jsu_1_A DATA FIRST_RESID 1 DATA SEQUENCE MMEQVCDVFD IYAICACCKV ESKNEGKKNE VFNNYTFRGL GNKGVLPWKC DATA SEQUENCE ISLDMKYFRA VTTYVNESKY EKLKYKRCKY LNKETXXXXX XXXXXKKLQN DATA SEQUENCE VVVMGRTNWE SIPKKFKPLS NRINVILSRT LKKEDFDEDV YIINKVEDLI DATA SEQUENCE VLLGKLNYYK CFILGGSVVY QEFLEKKLIK KIYFTRINST YECDVFFPEI DATA SEQUENCE NENEYQIISV SDVYTSNNTT LDFIIYKKTN NXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXDDEEEDDF VYFNFNKEKE DATA SEQUENCE EKNKNSIHPN DFQIYNSLKY KYHPEYQYLN IIYDIMMNGN KQSDRTGVGV DATA SEQUENCE LSKFGYIMKF DLSQYFPLLT TKKLFLRGII EELLWFIRGE TNGNTLLNKN DATA SEQUENCE VRIWEANGTR EFLDNRKLFH REVNDLGPIY GFQWRHFGAE YTNMYDNYEN DATA SEQUENCE KGVDQLKNII NLIKNDPTSR RILLCAWNVK DLDQMALPPC HILCQFYVFD DATA SEQUENCE GKLSCIMYQR SCDLGLGVPF NIASYSIFTH MIAQVCNLQP AQFIHVLGNA DATA SEQUENCE HVYNNHIDSL KIQLNRIPYP FPTLKLNPDI KNIEDFTISD FTIQNYVHHE DATA SEQUENCE KISMDM 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.601 32.600 0.001 0.000 1.302 2 M N 3.399 123.005 119.600 0.010 0.000 2.063 2 M HA 0.413 4.892 4.480 -0.000 0.000 0.348 2 M C -0.913 175.407 176.300 0.032 0.000 1.180 2 M CA 0.109 55.423 55.300 0.025 0.000 1.059 2 M CB 0.960 33.576 32.600 0.026 0.000 1.544 2 M HN 0.303 nan 8.290 nan 0.000 0.447 3 E N 2.393 122.615 120.200 0.037 0.000 2.537 3 E HA -0.096 4.254 4.350 -0.000 0.000 0.269 3 E C -0.643 175.945 176.600 -0.020 0.000 1.038 3 E CA 0.659 57.056 56.400 -0.005 0.000 0.977 3 E CB 0.231 29.911 29.700 -0.033 0.000 0.973 3 E HN 0.584 nan 8.360 nan 0.000 0.456 4 Q N 1.068 120.823 119.800 -0.074 0.000 2.235 4 Q HA 0.160 4.500 4.340 -0.000 0.000 0.256 4 Q C 0.960 176.863 176.000 -0.162 0.000 0.951 4 Q CA -0.635 55.126 55.803 -0.071 0.000 0.890 4 Q CB 1.839 30.553 28.738 -0.038 0.000 1.279 4 Q HN 0.408 nan 8.270 nan 0.000 0.444 5 V N 1.117 120.960 119.914 -0.117 0.000 2.222 5 V HA -0.412 3.708 4.120 -0.000 0.000 0.252 5 V C 2.349 178.395 176.094 -0.080 0.000 1.060 5 V CA 2.574 64.808 62.300 -0.110 0.000 1.027 5 V CB -1.140 30.727 31.823 0.073 0.000 0.644 5 V HN 1.140 nan 8.190 nan 0.000 0.448 6 C N -0.200 119.091 119.300 -0.014 0.000 2.398 6 C HA -0.216 4.244 4.460 -0.000 0.000 0.282 6 C C 2.214 177.133 174.990 -0.118 0.000 1.275 6 C CA 1.092 60.098 59.018 -0.020 0.000 1.797 6 C CB -1.456 26.292 27.740 0.013 0.000 1.991 6 C HN 0.634 nan 8.230 nan 0.000 0.505 7 D N 0.912 121.221 120.400 -0.152 0.000 2.162 7 D HA -0.007 4.633 4.640 -0.000 0.000 0.205 7 D C 2.467 178.620 176.300 -0.245 0.000 0.964 7 D CA 1.401 55.299 54.000 -0.171 0.000 0.847 7 D CB 0.012 40.734 40.800 -0.129 0.000 0.988 7 D HN 0.501 nan 8.370 nan 0.000 0.480 8 V N 0.848 120.513 119.914 -0.415 0.000 2.307 8 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 8 V C 1.917 177.699 176.094 -0.520 0.000 1.045 8 V CA 1.299 63.234 62.300 -0.607 0.000 1.024 8 V CB -0.552 30.583 31.823 -1.147 0.000 0.651 8 V HN 0.056 nan 8.190 nan 0.000 0.449 9 F N -0.305 119.557 119.950 -0.147 0.000 2.797 9 F HA 0.220 4.746 4.527 -0.000 0.000 0.302 9 F C 0.812 176.607 175.800 -0.008 0.000 1.130 9 F CA -0.519 57.476 58.000 -0.009 0.000 1.387 9 F CB -0.750 38.270 39.000 0.034 0.000 1.107 9 F HN 0.181 nan 8.300 nan 0.000 0.577 10 D N 1.635 122.010 120.400 -0.041 0.000 2.812 10 D HA -0.212 4.427 4.640 -0.000 0.000 0.237 10 D C -0.219 175.873 176.300 -0.345 0.000 1.162 10 D CA 0.567 54.420 54.000 -0.244 0.000 0.740 10 D CB -1.122 39.626 40.800 -0.085 0.000 1.000 10 D HN 0.261 nan 8.370 nan 0.000 0.416 11 I N 1.421 121.798 120.570 -0.322 0.000 2.297 11 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 11 I C 0.411 176.358 176.117 -0.283 0.000 1.033 11 I CA -0.508 60.680 61.300 -0.187 0.000 1.253 11 I CB 0.378 38.404 38.000 0.044 0.000 1.396 11 I HN -0.050 nan 8.210 nan 0.000 0.476 12 Y N 4.466 124.773 120.300 0.011 0.000 2.602 12 Y HA 0.786 5.336 4.550 -0.000 0.000 0.330 12 Y C 0.375 176.474 175.900 0.332 0.000 1.114 12 Y CA -0.962 57.258 58.100 0.200 0.000 1.182 12 Y CB 1.515 40.160 38.460 0.309 0.000 1.305 12 Y HN 0.524 nan 8.280 nan 0.000 0.502 13 A N 1.635 124.819 122.820 0.606 0.000 2.374 13 A HA 0.810 5.129 4.320 -0.000 0.000 0.317 13 A C -1.543 176.402 177.584 0.603 0.000 1.094 13 A CA -0.750 51.613 52.037 0.543 0.000 0.765 13 A CB 1.207 20.465 19.000 0.430 0.000 1.268 13 A HN 0.765 nan 8.150 nan 0.000 0.438 14 I N 1.519 122.414 120.570 0.543 0.000 2.619 14 I HA 0.684 4.854 4.170 -0.000 0.000 0.292 14 I C -0.682 175.614 176.117 0.298 0.000 1.100 14 I CA -0.462 61.093 61.300 0.425 0.000 1.043 14 I CB 1.681 39.891 38.000 0.350 0.000 1.239 14 I HN 1.168 nan 8.210 nan 0.000 0.420 15 C N 4.347 123.683 119.300 0.060 0.000 3.320 15 C HA 0.983 5.442 4.460 -0.000 0.000 0.335 15 C C -0.994 173.845 174.990 -0.251 0.000 1.430 15 C CA -0.388 58.562 59.018 -0.113 0.000 1.271 15 C CB 1.051 28.517 27.740 -0.457 0.000 1.609 15 C HN 1.074 nan 8.230 nan 0.000 0.457 16 A N 0.349 123.049 122.820 -0.201 0.000 2.385 16 A HA 0.776 5.095 4.320 -0.000 0.000 0.290 16 A C -0.743 176.842 177.584 0.002 0.000 1.094 16 A CA -0.242 51.725 52.037 -0.117 0.000 0.729 16 A CB 0.502 19.566 19.000 0.106 0.000 1.194 16 A HN 1.285 nan 8.150 nan 0.000 0.442 17 C N 1.726 120.942 119.300 -0.140 0.000 2.493 17 C HA 0.824 5.284 4.460 -0.000 0.000 0.326 17 C C 0.820 175.985 174.990 0.292 0.000 1.200 17 C CA -0.733 58.373 59.018 0.146 0.000 1.739 17 C CB 0.312 28.146 27.740 0.157 0.000 2.300 17 C HN 1.083 nan 8.230 nan 0.000 0.500 18 C N 1.039 120.599 119.300 0.433 0.000 2.857 18 C HA 0.731 5.191 4.460 -0.000 0.000 0.397 18 C C -0.568 174.652 174.990 0.383 0.000 1.558 18 C CA -1.061 58.227 59.018 0.449 0.000 1.694 18 C CB 0.374 28.474 27.740 0.601 0.000 2.120 18 C HN 0.855 nan 8.230 nan 0.000 0.475 19 K N 1.389 121.946 120.400 0.263 0.000 2.227 19 K HA 0.512 4.832 4.320 -0.000 0.000 0.280 19 K C 0.079 176.759 176.600 0.134 0.000 1.041 19 K CA -0.293 56.027 56.287 0.054 0.000 0.905 19 K CB 1.385 33.846 32.500 -0.065 0.000 1.068 19 K HN 0.698 nan 8.250 nan 0.000 0.470 20 V N 0.095 120.081 119.914 0.120 0.000 2.963 20 V HA 0.032 4.152 4.120 -0.000 0.000 0.306 20 V C 0.569 176.732 176.094 0.115 0.000 1.077 20 V CA -0.215 62.198 62.300 0.188 0.000 1.124 20 V CB 0.924 32.889 31.823 0.236 0.000 0.987 20 V HN 0.884 nan 8.190 nan 0.000 0.487 21 E N 2.090 122.371 120.200 0.136 0.000 2.422 21 E HA 0.133 4.483 4.350 -0.000 0.000 0.267 21 E C 0.590 177.224 176.600 0.057 0.000 1.466 21 E CA -0.015 56.434 56.400 0.082 0.000 1.767 21 E CB -0.266 29.487 29.700 0.089 0.000 1.471 21 E HN 0.978 nan 8.360 nan 0.000 0.446 22 S N 1.386 117.106 115.700 0.032 0.000 2.555 22 S HA -0.072 4.398 4.470 -0.000 0.000 0.293 22 S C 1.193 175.793 174.600 0.000 0.000 1.248 22 S CA -0.040 58.164 58.200 0.006 0.000 1.096 22 S CB 0.977 64.160 63.200 -0.028 0.000 0.881 22 S HN 0.553 nan 8.310 nan 0.000 0.498 23 K N 4.247 124.652 120.400 0.008 0.000 2.044 23 K HA -0.292 4.028 4.320 -0.000 0.000 0.224 23 K C 0.333 176.928 176.600 -0.009 0.000 1.056 23 K CA 2.318 58.608 56.287 0.005 0.000 0.962 23 K CB -0.340 32.163 32.500 0.006 0.000 0.730 23 K HN 1.071 nan 8.250 nan 0.000 0.453 24 N N -2.816 115.873 118.700 -0.019 0.000 5.613 24 N HA -0.008 4.732 4.740 -0.000 0.000 0.169 24 N C -1.262 174.228 175.510 -0.034 0.000 1.041 24 N CA -0.399 52.632 53.050 -0.032 0.000 0.945 24 N CB 0.169 38.642 38.487 -0.024 0.000 1.566 24 N HN 0.006 nan 8.380 nan 0.000 0.668 25 E N 0.249 120.419 120.200 -0.049 0.000 2.603 25 E HA 0.371 4.721 4.350 -0.000 0.000 0.211 25 E C 0.037 176.612 176.600 -0.042 0.000 0.995 25 E CA 0.439 56.812 56.400 -0.045 0.000 0.990 25 E CB 0.554 30.218 29.700 -0.060 0.000 1.036 25 E HN 1.070 nan 8.360 nan 0.000 0.475 26 G N 1.927 110.703 108.800 -0.039 0.000 3.435 26 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.683 26 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.683 26 G C 0.055 174.931 174.900 -0.040 0.000 1.189 26 G CA -0.632 44.450 45.100 -0.028 0.000 1.069 26 G HN -0.007 nan 8.290 nan 0.000 0.508 27 K N 0.233 120.618 120.400 -0.024 0.000 2.574 27 K HA 0.053 4.373 4.320 -0.000 0.000 0.193 27 K C 1.273 177.873 176.600 0.001 0.000 1.035 27 K CA 0.635 56.910 56.287 -0.020 0.000 0.982 27 K CB -0.043 32.460 32.500 0.005 0.000 0.795 27 K HN 0.518 nan 8.250 nan 0.000 0.491 28 K N 2.150 122.551 120.400 0.001 0.000 2.127 28 K HA 0.072 4.391 4.320 -0.000 0.000 0.261 28 K C -0.895 175.715 176.600 0.016 0.000 1.129 28 K CA -0.245 56.057 56.287 0.024 0.000 0.993 28 K CB -0.207 32.306 32.500 0.022 0.000 1.410 28 K HN 0.164 nan 8.250 nan 0.000 0.380 29 N N 2.397 121.117 118.700 0.033 0.000 2.471 29 N HA -0.185 4.554 4.740 -0.000 0.000 0.286 29 N C -1.143 174.322 175.510 -0.075 0.000 1.327 29 N CA 0.811 53.878 53.050 0.029 0.000 0.657 29 N CB -0.640 37.888 38.487 0.068 0.000 0.901 29 N HN 0.720 nan 8.380 nan 0.000 0.531 30 E N -0.975 119.099 120.200 -0.209 0.000 2.202 30 E HA 0.650 5.000 4.350 -0.000 0.000 0.272 30 E C -0.404 175.823 176.600 -0.622 0.000 0.951 30 E CA -1.163 54.991 56.400 -0.410 0.000 0.813 30 E CB 1.628 31.004 29.700 -0.540 0.000 1.151 30 E HN 0.067 nan 8.360 nan 0.000 0.398 31 V N 2.450 122.070 119.914 -0.489 0.000 2.775 31 V HA 0.175 4.295 4.120 -0.000 0.000 0.299 31 V C -0.648 175.053 176.094 -0.655 0.000 1.062 31 V CA 0.024 62.080 62.300 -0.407 0.000 1.063 31 V CB -0.008 31.698 31.823 -0.195 0.000 0.994 31 V HN 0.530 nan 8.190 nan 0.000 0.483 32 F N 3.707 123.489 119.950 -0.279 0.000 2.518 32 F HA 0.558 5.084 4.527 -0.000 0.000 0.323 32 F C 0.146 175.790 175.800 -0.260 0.000 1.129 32 F CA -0.848 56.916 58.000 -0.394 0.000 0.920 32 F CB 1.732 40.320 39.000 -0.686 0.000 1.160 32 F HN 0.670 nan 8.300 nan 0.000 0.440 33 N N 0.244 118.955 118.700 0.019 0.000 2.761 33 N HA 0.342 5.082 4.740 -0.000 0.000 0.283 33 N C 0.089 175.698 175.510 0.165 0.000 1.377 33 N CA -0.896 52.219 53.050 0.108 0.000 0.791 33 N CB 0.468 39.020 38.487 0.109 0.000 1.540 33 N HN 0.198 nan 8.380 nan 0.000 0.539 34 N N -0.942 117.908 118.700 0.251 0.000 2.289 34 N HA -0.156 4.584 4.740 -0.000 0.000 0.184 34 N C 0.539 176.207 175.510 0.264 0.000 1.016 34 N CA 0.810 54.036 53.050 0.293 0.000 0.872 34 N CB -0.351 38.297 38.487 0.267 0.000 0.973 34 N HN 0.525 nan 8.380 nan 0.000 0.433 35 Y N 1.994 122.355 120.300 0.102 0.000 2.639 35 Y HA -0.068 4.481 4.550 -0.000 0.000 0.297 35 Y C 1.970 177.897 175.900 0.046 0.000 1.151 35 Y CA 0.805 58.960 58.100 0.091 0.000 1.335 35 Y CB -0.360 38.133 38.460 0.056 0.000 0.994 35 Y HN -0.019 nan 8.280 nan 0.000 0.548 36 T N -0.013 114.505 114.554 -0.059 0.000 2.833 36 T HA -0.148 4.201 4.350 -0.000 0.000 0.269 36 T C 0.045 174.480 174.700 -0.443 0.000 1.054 36 T CA 1.022 62.935 62.100 -0.312 0.000 1.135 36 T CB -0.412 68.163 68.868 -0.487 0.000 0.869 36 T HN 0.053 nan 8.240 nan 0.000 0.466 37 F N 2.245 122.203 119.950 0.014 0.000 2.335 37 F HA 0.409 4.936 4.527 -0.000 0.000 0.365 37 F C 1.226 177.144 175.800 0.196 0.000 1.122 37 F CA -0.998 57.075 58.000 0.121 0.000 1.151 37 F CB 0.535 39.647 39.000 0.188 0.000 1.282 37 F HN 0.030 nan 8.300 nan 0.000 0.513 38 R N 0.379 121.036 120.500 0.262 0.000 2.504 38 R HA 0.274 4.614 4.340 -0.000 0.000 0.341 38 R C 0.425 176.933 176.300 0.347 0.000 0.905 38 R CA -0.348 55.917 56.100 0.275 0.000 1.133 38 R CB -0.004 30.287 30.300 -0.015 0.000 1.704 38 R HN 0.587 nan 8.270 nan 0.000 0.503 39 G N 1.542 110.531 108.800 0.315 0.000 2.396 39 G HA2 0.291 4.251 3.960 -0.000 0.000 0.292 39 G HA3 0.291 4.251 3.960 -0.000 0.000 0.292 39 G C 0.400 175.386 174.900 0.143 0.000 1.106 39 G CA -0.460 44.770 45.100 0.216 0.000 1.055 39 G HN 0.102 nan 8.290 nan 0.000 0.424 40 L N 2.237 123.455 121.223 -0.008 0.000 2.200 40 L HA 0.335 4.675 4.340 -0.000 0.000 0.200 40 L C 1.506 178.241 176.870 -0.226 0.000 1.072 40 L CA 0.996 55.821 54.840 -0.025 0.000 0.787 40 L CB 0.067 42.173 42.059 0.078 0.000 0.957 40 L HN 0.632 nan 8.230 nan 0.000 0.459 41 G N -1.108 107.518 108.800 -0.289 0.000 2.608 41 G HA2 0.375 4.334 3.960 -0.000 0.000 0.291 41 G HA3 0.375 4.334 3.960 -0.000 0.000 0.291 41 G C -2.079 172.642 174.900 -0.298 0.000 1.425 41 G CA -0.387 44.515 45.100 -0.330 0.000 0.787 41 G HN -0.008 nan 8.290 nan 0.000 0.484 42 N N -0.536 118.013 118.700 -0.251 0.000 2.425 42 N HA 0.362 5.101 4.740 -0.000 0.000 0.289 42 N C -0.298 175.131 175.510 -0.135 0.000 1.074 42 N CA -0.626 52.319 53.050 -0.175 0.000 0.905 42 N CB 1.321 39.726 38.487 -0.136 0.000 1.586 42 N HN 0.662 nan 8.380 nan 0.000 0.490 43 K N 2.672 123.014 120.400 -0.096 0.000 3.148 43 K HA -0.206 4.114 4.320 -0.000 0.000 0.267 43 K C 0.698 177.252 176.600 -0.077 0.000 0.996 43 K CA 0.853 57.099 56.287 -0.069 0.000 0.737 43 K CB -1.710 30.758 32.500 -0.054 0.000 1.308 43 K HN 1.068 nan 8.250 nan 0.000 0.470 44 G N -1.768 106.980 108.800 -0.086 0.000 2.245 44 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.264 44 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.264 44 G C 0.301 175.134 174.900 -0.111 0.000 0.985 44 G CA 0.608 45.660 45.100 -0.081 0.000 0.625 44 G HN 0.918 nan 8.290 nan 0.000 0.536 45 V N -2.566 117.258 119.914 -0.149 0.000 3.139 45 V HA 0.846 4.965 4.120 -0.000 0.000 0.310 45 V C 0.951 176.859 176.094 -0.311 0.000 1.260 45 V CA -1.580 60.602 62.300 -0.198 0.000 1.064 45 V CB 1.289 33.011 31.823 -0.169 0.000 1.160 45 V HN 0.358 nan 8.190 nan 0.000 0.470 46 L N 1.064 122.032 121.223 -0.424 0.000 2.416 46 L HA 0.286 4.625 4.340 -0.000 0.000 0.272 46 L C -1.541 174.867 176.870 -0.770 0.000 1.161 46 L CA -1.122 53.259 54.840 -0.764 0.000 0.845 46 L CB 0.836 42.311 42.059 -0.973 0.000 1.119 46 L HN 0.515 nan 8.230 nan 0.000 0.464 47 P HA -0.133 nan 4.420 nan 0.000 0.218 47 P C -0.630 176.369 177.300 -0.501 0.000 1.148 47 P CA 0.977 63.771 63.100 -0.510 0.000 0.822 47 P CB 0.084 31.595 31.700 -0.316 0.000 0.784 48 W N -1.394 119.549 121.300 -0.595 0.000 2.436 48 W HA 0.552 5.212 4.660 -0.000 0.000 0.347 48 W C 1.477 177.832 176.519 -0.273 0.000 1.136 48 W CA -1.024 55.901 57.345 -0.701 0.000 1.286 48 W CB 0.290 29.218 29.460 -0.887 0.000 1.253 48 W HN -0.386 nan 8.180 nan 0.000 0.617 49 K N 0.602 121.060 120.400 0.097 0.000 1.973 49 K HA -0.012 4.308 4.320 -0.000 0.000 0.210 49 K C -0.186 176.486 176.600 0.120 0.000 1.045 49 K CA 1.607 57.938 56.287 0.073 0.000 0.937 49 K CB -0.196 32.364 32.500 0.100 0.000 0.721 49 K HN 0.568 nan 8.250 nan 0.000 0.438 50 C N -0.071 119.348 119.300 0.199 0.000 2.931 50 C HA 0.511 4.970 4.460 -0.000 0.000 0.370 50 C C -1.539 173.538 174.990 0.145 0.000 1.071 50 C CA -0.985 58.143 59.018 0.184 0.000 1.266 50 C CB 0.532 28.335 27.740 0.104 0.000 1.691 50 C HN 0.400 nan 8.230 nan 0.000 0.511 51 I N 6.538 127.175 120.570 0.112 0.000 2.796 51 I HA 0.174 4.344 4.170 -0.000 0.000 0.279 51 I C 1.438 177.566 176.117 0.019 0.000 1.289 51 I CA -0.067 61.225 61.300 -0.013 0.000 1.021 51 I CB 1.340 39.196 38.000 -0.241 0.000 1.414 51 I HN 0.877 nan 8.210 nan 0.000 0.562 52 S N 3.248 118.969 115.700 0.035 0.000 2.392 52 S HA -0.259 4.211 4.470 -0.000 0.000 0.232 52 S C 1.779 176.399 174.600 0.033 0.000 1.041 52 S CA 1.157 59.379 58.200 0.036 0.000 1.026 52 S CB -0.229 62.992 63.200 0.035 0.000 0.845 52 S HN 0.593 nan 8.310 nan 0.000 0.465 53 L N 2.521 123.757 121.223 0.022 0.000 2.046 53 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 53 L C 2.175 179.106 176.870 0.102 0.000 1.077 53 L CA 2.348 57.201 54.840 0.021 0.000 0.747 53 L CB -0.989 41.062 42.059 -0.013 0.000 0.896 53 L HN 0.366 nan 8.230 nan 0.000 0.432 54 D N -1.573 118.896 120.400 0.115 0.000 2.117 54 D HA -0.214 4.425 4.640 -0.000 0.000 0.198 54 D C 2.094 178.521 176.300 0.212 0.000 0.982 54 D CA 1.295 55.417 54.000 0.204 0.000 0.828 54 D CB 0.096 40.936 40.800 0.068 0.000 0.967 54 D HN 0.181 nan 8.370 nan 0.000 0.464 55 M N 0.376 120.059 119.600 0.138 0.000 2.117 55 M HA -0.110 4.370 4.480 -0.000 0.000 0.262 55 M C 2.245 178.624 176.300 0.131 0.000 1.065 55 M CA 1.270 56.661 55.300 0.152 0.000 1.114 55 M CB -1.029 31.608 32.600 0.061 0.000 1.361 55 M HN 0.122 nan 8.290 nan 0.000 0.408 56 K N -0.517 119.921 120.400 0.064 0.000 2.057 56 K HA -0.225 4.094 4.320 -0.000 0.000 0.207 56 K C 2.153 178.730 176.600 -0.037 0.000 1.049 56 K CA 1.442 57.727 56.287 -0.003 0.000 0.931 56 K CB -0.318 32.171 32.500 -0.019 0.000 0.714 56 K HN 0.231 nan 8.250 nan 0.000 0.440 57 Y N 0.426 120.631 120.300 -0.159 0.000 2.163 57 Y HA -0.242 4.307 4.550 -0.001 0.000 0.288 57 Y C 1.957 177.746 175.900 -0.185 0.000 1.136 57 Y CA 1.792 59.711 58.100 -0.302 0.000 1.147 57 Y CB -0.508 37.600 38.460 -0.587 0.000 0.987 57 Y HN 0.163 nan 8.280 nan 0.000 0.509 58 F N 1.303 121.198 119.950 -0.092 0.000 2.091 58 F HA -0.245 4.282 4.527 -0.000 0.000 0.299 58 F C 2.609 178.248 175.800 -0.269 0.000 1.103 58 F CA 2.327 60.229 58.000 -0.163 0.000 1.228 58 F CB -0.721 38.255 39.000 -0.040 0.000 0.984 58 F HN 0.006 nan 8.300 nan 0.000 0.477 59 R N 0.216 120.474 120.500 -0.404 0.000 2.075 59 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 59 R C 2.415 178.469 176.300 -0.410 0.000 1.126 59 R CA 1.171 56.981 56.100 -0.483 0.000 0.963 59 R CB -0.710 29.440 30.300 -0.250 0.000 0.858 59 R HN 0.401 nan 8.270 nan 0.000 0.435 60 A N 0.419 123.025 122.820 -0.357 0.000 1.865 60 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 60 A C 2.282 179.613 177.584 -0.422 0.000 1.191 60 A CA 1.947 53.779 52.037 -0.342 0.000 0.623 60 A CB -0.769 18.017 19.000 -0.358 0.000 0.826 60 A HN 0.218 nan 8.150 nan 0.000 0.444 61 V N 0.490 120.010 119.914 -0.657 0.000 2.261 61 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 61 V C 2.866 178.526 176.094 -0.723 0.000 1.047 61 V CA 2.413 64.254 62.300 -0.764 0.000 1.015 61 V CB -1.631 29.539 31.823 -1.089 0.000 0.642 61 V HN 0.822 nan 8.190 nan 0.000 0.446 62 T N -1.695 112.366 114.554 -0.821 0.000 3.155 62 T HA -0.108 4.242 4.350 -0.000 0.000 0.264 62 T C 1.391 175.944 174.700 -0.244 0.000 1.160 62 T CA 1.489 63.169 62.100 -0.699 0.000 1.075 62 T CB -0.450 68.004 68.868 -0.691 0.000 0.921 62 T HN 0.670 nan 8.240 nan 0.000 0.533 63 T N -3.054 111.370 114.554 -0.217 0.000 2.959 63 T HA 0.241 4.591 4.350 -0.000 0.000 0.254 63 T C 0.256 174.927 174.700 -0.049 0.000 1.003 63 T CA -0.706 61.332 62.100 -0.104 0.000 0.950 63 T CB -0.567 68.219 68.868 -0.137 0.000 1.090 63 T HN 0.398 nan 8.240 nan 0.000 0.503 64 Y N 3.854 124.064 120.300 -0.150 0.000 2.465 64 Y HA 0.451 5.000 4.550 -0.000 0.000 0.331 64 Y C -0.232 175.574 175.900 -0.157 0.000 1.102 64 Y CA -0.742 57.267 58.100 -0.151 0.000 1.358 64 Y CB 0.628 38.987 38.460 -0.170 0.000 1.213 64 Y HN 0.261 nan 8.280 nan 0.000 0.525 65 V N 4.042 123.327 119.914 -1.049 0.000 2.925 65 V HA 0.501 4.621 4.120 -0.000 0.000 0.311 65 V C -1.156 174.073 176.094 -1.442 0.000 1.104 65 V CA -1.150 60.384 62.300 -1.277 0.000 0.954 65 V CB 2.109 33.504 31.823 -0.713 0.000 1.022 65 V HN 0.835 nan 8.190 nan 0.000 0.427 66 N N 2.698 120.486 118.700 -1.520 0.000 2.621 66 N HA 0.273 5.013 4.740 -0.000 0.000 0.237 66 N C 0.921 176.234 175.510 -0.328 0.000 0.997 66 N CA -0.262 52.389 53.050 -0.666 0.000 0.918 66 N CB 1.362 39.711 38.487 -0.231 0.000 1.122 66 N HN 0.867 nan 8.380 nan 0.000 0.510 67 E N 0.955 121.008 120.200 -0.246 0.000 2.068 67 E HA -0.243 4.107 4.350 -0.000 0.000 0.207 67 E C 1.402 178.034 176.600 0.053 0.000 1.032 67 E CA 1.951 58.308 56.400 -0.071 0.000 0.839 67 E CB -0.270 29.388 29.700 -0.071 0.000 0.758 67 E HN 0.736 nan 8.360 nan 0.000 0.457 68 S N 0.523 116.240 115.700 0.029 0.000 2.493 68 S HA -0.105 4.364 4.470 -0.000 0.000 0.243 68 S C 1.570 176.231 174.600 0.102 0.000 0.991 68 S CA 1.032 59.267 58.200 0.059 0.000 0.957 68 S CB -0.121 63.101 63.200 0.037 0.000 0.756 68 S HN 0.189 nan 8.310 nan 0.000 0.521 69 K N -0.863 119.637 120.400 0.167 0.000 2.367 69 K HA 0.170 4.490 4.320 -0.000 0.000 0.194 69 K C 1.412 178.173 176.600 0.269 0.000 1.027 69 K CA 0.085 56.507 56.287 0.226 0.000 1.075 69 K CB -0.115 32.586 32.500 0.335 0.000 0.845 69 K HN 0.391 nan 8.250 nan 0.000 0.529 70 Y N 2.993 123.389 120.300 0.161 0.000 2.163 70 Y HA -0.160 4.390 4.550 -0.001 0.000 0.288 70 Y C 1.845 177.776 175.900 0.052 0.000 1.136 70 Y CA 1.448 59.617 58.100 0.116 0.000 1.147 70 Y CB 0.008 38.531 38.460 0.105 0.000 0.987 70 Y HN 0.024 nan 8.280 nan 0.000 0.509 71 E N 0.423 120.555 120.200 -0.112 0.000 2.114 71 E HA -0.328 4.022 4.350 -0.000 0.000 0.199 71 E C 2.166 178.668 176.600 -0.163 0.000 1.008 71 E CA 1.854 58.134 56.400 -0.199 0.000 0.810 71 E CB -0.350 29.312 29.700 -0.062 0.000 0.739 71 E HN 0.493 nan 8.360 nan 0.000 0.456 72 K N 1.073 121.431 120.400 -0.070 0.000 2.097 72 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 72 K C 2.253 178.837 176.600 -0.026 0.000 1.050 72 K CA 0.689 56.967 56.287 -0.016 0.000 0.938 72 K CB -0.004 32.504 32.500 0.013 0.000 0.718 72 K HN 0.087 nan 8.250 nan 0.000 0.442 73 L N 0.776 121.940 121.223 -0.099 0.000 2.156 73 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 73 L C 2.641 179.391 176.870 -0.200 0.000 1.095 73 L CA 0.912 55.673 54.840 -0.131 0.000 0.770 73 L CB -0.315 41.681 42.059 -0.106 0.000 0.914 73 L HN 0.201 nan 8.230 nan 0.000 0.439 74 K N -0.117 120.062 120.400 -0.368 0.000 2.002 74 K HA -0.258 4.062 4.320 -0.000 0.000 0.209 74 K C 2.340 178.874 176.600 -0.111 0.000 1.048 74 K CA 1.647 57.725 56.287 -0.349 0.000 0.930 74 K CB -0.291 31.876 32.500 -0.555 0.000 0.714 74 K HN 0.083 nan 8.250 nan 0.000 0.438 75 Y N 2.114 122.311 120.300 -0.173 0.000 2.097 75 Y HA -0.313 4.236 4.550 -0.000 0.000 0.282 75 Y C 2.287 178.141 175.900 -0.075 0.000 1.152 75 Y CA 2.272 60.312 58.100 -0.100 0.000 1.136 75 Y CB -0.390 38.019 38.460 -0.085 0.000 0.975 75 Y HN 0.034 nan 8.280 nan 0.000 0.498 76 K N 0.273 120.601 120.400 -0.119 0.000 2.015 76 K HA -0.307 4.013 4.320 -0.000 0.000 0.216 76 K C 2.218 178.684 176.600 -0.223 0.000 1.052 76 K CA 2.470 58.636 56.287 -0.201 0.000 0.937 76 K CB -0.306 32.118 32.500 -0.127 0.000 0.719 76 K HN 0.369 nan 8.250 nan 0.000 0.446 77 R N -0.103 120.293 120.500 -0.173 0.000 2.081 77 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 77 R C 2.690 178.985 176.300 -0.007 0.000 1.131 77 R CA 1.625 57.656 56.100 -0.115 0.000 0.960 77 R CB -0.563 29.732 30.300 -0.009 0.000 0.856 77 R HN 0.339 nan 8.270 nan 0.000 0.436 78 C N 0.818 120.088 119.300 -0.050 0.000 2.442 78 C HA -0.095 4.365 4.460 -0.000 0.000 0.279 78 C C 2.565 177.495 174.990 -0.101 0.000 1.237 78 C CA 0.588 59.586 59.018 -0.034 0.000 1.722 78 C CB -0.659 27.062 27.740 -0.032 0.000 2.056 78 C HN 0.495 nan 8.230 nan 0.000 0.469 79 K N -0.398 119.841 120.400 -0.269 0.000 2.089 79 K HA -0.272 4.048 4.320 -0.000 0.000 0.210 79 K C 1.994 178.490 176.600 -0.174 0.000 1.048 79 K CA 2.095 58.184 56.287 -0.330 0.000 0.926 79 K CB -0.477 31.608 32.500 -0.692 0.000 0.714 79 K HN 0.676 nan 8.250 nan 0.000 0.448 80 Y N 0.829 120.988 120.300 -0.235 0.000 2.274 80 Y HA -0.104 4.446 4.550 -0.000 0.000 0.290 80 Y C 1.278 177.117 175.900 -0.102 0.000 1.145 80 Y CA 1.338 59.331 58.100 -0.179 0.000 1.203 80 Y CB 0.130 38.444 38.460 -0.243 0.000 0.984 80 Y HN 0.018 nan 8.280 nan 0.000 0.533 81 L N 0.822 122.009 121.223 -0.062 0.000 2.629 81 L HA 0.053 4.393 4.340 -0.000 0.000 0.230 81 L C 0.318 177.129 176.870 -0.099 0.000 1.151 81 L CA 0.224 55.020 54.840 -0.074 0.000 0.924 81 L CB -0.456 41.664 42.059 0.102 0.000 1.137 81 L HN 0.234 nan 8.230 nan 0.000 0.457 82 N N 0.087 118.709 118.700 -0.130 0.000 2.708 82 N HA -0.152 4.588 4.740 -0.000 0.000 0.251 82 N C -0.409 175.070 175.510 -0.053 0.000 1.123 82 N CA 0.993 53.984 53.050 -0.098 0.000 0.739 82 N CB -0.733 37.694 38.487 -0.099 0.000 1.113 82 N HN 0.320 nan 8.380 nan 0.000 0.561 83 K N 1.623 122.000 120.400 -0.038 0.000 2.240 83 K HA 0.146 4.466 4.320 -0.000 0.000 0.271 83 K C 0.666 177.262 176.600 -0.005 0.000 1.018 83 K CA -0.281 56.000 56.287 -0.009 0.000 0.874 83 K CB 1.612 34.121 32.500 0.015 0.000 1.098 83 K HN 0.159 nan 8.250 nan 0.000 0.458 84 E N 3.659 123.865 120.200 0.009 0.000 2.257 84 E HA 0.062 4.412 4.350 -0.000 0.000 0.278 84 E C -0.761 175.863 176.600 0.040 0.000 1.049 84 E CA 0.255 56.672 56.400 0.029 0.000 0.876 84 E CB 0.324 30.041 29.700 0.028 0.000 1.035 84 E HN 0.622 nan 8.360 nan 0.000 0.419 97 K N 2.069 122.453 120.400 -0.028 0.000 2.401 97 K HA 0.111 4.431 4.320 -0.000 0.000 0.278 97 K C -0.388 176.169 176.600 -0.071 0.000 1.018 97 K CA -0.386 55.871 56.287 -0.050 0.000 0.981 97 K CB 0.382 32.851 32.500 -0.052 0.000 0.933 97 K HN 0.497 nan 8.250 nan 0.000 0.477 98 L N 4.057 125.213 121.223 -0.111 0.000 2.540 98 L HA -0.038 4.302 4.340 -0.000 0.000 0.276 98 L C -0.486 176.313 176.870 -0.118 0.000 1.212 98 L CA 1.250 55.993 54.840 -0.162 0.000 0.893 98 L CB 0.425 42.340 42.059 -0.241 0.000 1.138 98 L HN 0.682 nan 8.230 nan 0.000 0.491 99 Q N 3.233 122.997 119.800 -0.060 0.000 2.484 99 Q HA 0.487 4.826 4.340 -0.000 0.000 0.285 99 Q C -1.014 175.055 176.000 0.115 0.000 1.097 99 Q CA -1.135 54.672 55.803 0.008 0.000 0.802 99 Q CB 1.783 30.534 28.738 0.023 0.000 1.444 99 Q HN 0.634 nan 8.270 nan 0.000 0.429 100 N N -0.219 118.574 118.700 0.155 0.000 2.458 100 N HA 0.445 5.185 4.740 -0.000 0.000 0.271 100 N C -1.044 174.574 175.510 0.180 0.000 1.210 100 N CA -0.265 52.944 53.050 0.265 0.000 0.978 100 N CB 1.351 40.049 38.487 0.351 0.000 1.206 100 N HN 0.174 nan 8.380 nan 0.000 0.536 101 V N 1.016 121.011 119.914 0.135 0.000 2.513 101 V HA 0.408 4.527 4.120 -0.000 0.000 0.299 101 V C -0.034 176.102 176.094 0.069 0.000 1.035 101 V CA -0.804 61.490 62.300 -0.010 0.000 0.889 101 V CB 1.632 33.273 31.823 -0.304 0.000 0.988 101 V HN 0.467 nan 8.190 nan 0.000 0.440 102 V N 3.293 123.251 119.914 0.073 0.000 2.555 102 V HA 0.833 4.953 4.120 -0.000 0.000 0.302 102 V C -0.635 175.488 176.094 0.048 0.000 1.038 102 V CA -0.651 61.719 62.300 0.117 0.000 0.887 102 V CB 1.735 33.641 31.823 0.138 0.000 0.991 102 V HN 0.480 nan 8.190 nan 0.000 0.434 103 V N 6.671 126.595 119.914 0.017 0.000 2.448 103 V HA 0.689 4.808 4.120 -0.000 0.000 0.295 103 V C 0.033 176.098 176.094 -0.048 0.000 1.025 103 V CA -0.377 61.893 62.300 -0.050 0.000 0.859 103 V CB 1.504 33.245 31.823 -0.137 0.000 0.988 103 V HN 1.097 nan 8.190 nan 0.000 0.431 104 M N 3.045 122.638 119.600 -0.012 0.000 2.446 104 M HA 0.804 5.284 4.480 -0.000 0.000 0.294 104 M C 0.116 176.424 176.300 0.013 0.000 1.158 104 M CA -0.508 54.795 55.300 0.006 0.000 0.899 104 M CB 2.060 34.733 32.600 0.121 0.000 1.687 104 M HN 0.603 nan 8.290 nan 0.000 0.455 105 G N 1.436 110.230 108.800 -0.010 0.000 2.636 105 G HA2 0.201 4.161 3.960 -0.000 0.000 0.246 105 G HA3 0.201 4.161 3.960 -0.000 0.000 0.246 105 G C 0.401 175.356 174.900 0.092 0.000 1.216 105 G CA -0.424 44.688 45.100 0.021 0.000 0.854 105 G HN 1.033 nan 8.290 nan 0.000 0.572 106 R N -0.492 120.067 120.500 0.098 0.000 2.082 106 R HA -0.125 4.214 4.340 -0.000 0.000 0.234 106 R C 2.696 179.121 176.300 0.209 0.000 1.136 106 R CA 2.197 58.404 56.100 0.177 0.000 0.935 106 R CB -0.822 29.566 30.300 0.147 0.000 0.842 106 R HN 0.592 nan 8.270 nan 0.000 0.430 107 T N 1.025 115.650 114.554 0.118 0.000 2.653 107 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 107 T C 1.561 176.308 174.700 0.077 0.000 1.035 107 T CA 1.848 63.997 62.100 0.082 0.000 1.154 107 T CB -0.661 68.227 68.868 0.033 0.000 0.862 107 T HN 0.400 nan 8.240 nan 0.000 0.441 108 N N 0.476 119.215 118.700 0.065 0.000 2.069 108 N HA -0.146 4.593 4.740 -0.000 0.000 0.191 108 N C 1.641 177.212 175.510 0.101 0.000 1.031 108 N CA 1.630 54.702 53.050 0.037 0.000 0.852 108 N CB -0.504 37.984 38.487 0.002 0.000 1.018 108 N HN 0.642 nan 8.380 nan 0.000 0.423 109 W N 1.501 122.809 121.300 0.014 0.000 2.335 109 W HA -0.129 4.531 4.660 -0.000 0.000 0.311 109 W C 1.205 177.765 176.519 0.067 0.000 1.213 109 W CA 1.390 58.766 57.345 0.052 0.000 1.274 109 W CB -0.333 29.175 29.460 0.081 0.000 1.148 109 W HN 0.224 nan 8.180 nan 0.000 0.498 110 E N 0.192 120.489 120.200 0.161 0.000 2.338 110 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 110 E C 2.195 178.754 176.600 -0.069 0.000 1.007 110 E CA 1.499 57.917 56.400 0.031 0.000 0.849 110 E CB -0.136 29.646 29.700 0.136 0.000 0.774 110 E HN 0.227 nan 8.360 nan 0.000 0.506 111 S N 0.130 115.792 115.700 -0.064 0.000 2.603 111 S HA 0.065 4.535 4.470 -0.000 0.000 0.220 111 S C 0.809 175.343 174.600 -0.109 0.000 0.967 111 S CA -0.086 58.065 58.200 -0.083 0.000 0.920 111 S CB -0.129 63.021 63.200 -0.084 0.000 0.773 111 S HN 0.045 nan 8.310 nan 0.000 0.529 112 I N 2.688 123.160 120.570 -0.162 0.000 2.331 112 I HA 0.357 4.527 4.170 -0.000 0.000 0.292 112 I C -2.620 173.430 176.117 -0.112 0.000 0.998 112 I CA -2.802 58.415 61.300 -0.138 0.000 1.267 112 I CB 1.158 39.036 38.000 -0.202 0.000 1.386 112 I HN -0.113 nan 8.210 nan 0.000 0.476 113 P HA -0.012 nan 4.420 nan 0.000 0.262 113 P C 0.392 177.659 177.300 -0.055 0.000 1.182 113 P CA -0.142 62.981 63.100 0.038 0.000 0.761 113 P CB 0.431 32.239 31.700 0.180 0.000 0.795 114 K N 4.340 124.670 120.400 -0.117 0.000 2.097 114 K HA -0.241 4.079 4.320 -0.000 0.000 0.214 114 K C 1.535 178.039 176.600 -0.159 0.000 1.052 114 K CA 2.113 58.322 56.287 -0.130 0.000 0.932 114 K CB -0.611 31.834 32.500 -0.093 0.000 0.716 114 K HN 0.611 nan 8.250 nan 0.000 0.455 115 K N -0.431 119.810 120.400 -0.266 0.000 2.520 115 K HA -0.087 4.233 4.320 -0.000 0.000 0.197 115 K C 1.399 177.726 176.600 -0.456 0.000 1.043 115 K CA 1.244 57.300 56.287 -0.384 0.000 0.944 115 K CB -0.189 31.997 32.500 -0.523 0.000 0.770 115 K HN 0.010 nan 8.250 nan 0.000 0.480 116 F N 1.439 121.345 119.950 -0.073 0.000 2.717 116 F HA 0.274 4.801 4.527 -0.001 0.000 0.297 116 F C 0.255 176.007 175.800 -0.079 0.000 1.113 116 F CA -0.329 57.633 58.000 -0.063 0.000 1.319 116 F CB 0.416 39.380 39.000 -0.061 0.000 1.097 116 F HN -0.202 nan 8.300 nan 0.000 0.595 117 K N 2.817 123.221 120.400 0.006 0.000 2.183 117 K HA 0.308 4.628 4.320 -0.000 0.000 0.274 117 K C -2.421 174.232 176.600 0.089 0.000 1.009 117 K CA -1.780 54.473 56.287 -0.057 0.000 0.888 117 K CB 0.741 32.973 32.500 -0.447 0.000 1.078 117 K HN -0.136 nan 8.250 nan 0.000 0.459 118 P HA 0.128 nan 4.420 nan 0.000 0.277 118 P C -0.387 177.015 177.300 0.171 0.000 1.240 118 P CA -0.516 62.757 63.100 0.287 0.000 0.798 118 P CB 0.699 32.578 31.700 0.298 0.000 0.979 119 L N 1.490 122.818 121.223 0.176 0.000 2.628 119 L HA -0.013 4.327 4.340 -0.000 0.000 0.274 119 L C 1.460 178.374 176.870 0.074 0.000 1.209 119 L CA 0.019 54.923 54.840 0.108 0.000 0.930 119 L CB -0.528 41.581 42.059 0.084 0.000 1.183 119 L HN 0.514 nan 8.230 nan 0.000 0.492 120 S N 2.222 117.956 115.700 0.056 0.000 2.566 120 S HA -0.025 4.445 4.470 -0.000 0.000 0.280 120 S C 0.705 175.309 174.600 0.006 0.000 1.343 120 S CA -0.221 57.999 58.200 0.034 0.000 1.036 120 S CB 0.132 63.350 63.200 0.030 0.000 0.866 120 S HN 0.811 nan 8.310 nan 0.000 0.526 121 N N 0.292 118.995 118.700 0.006 0.000 2.701 121 N HA -0.213 4.527 4.740 -0.000 0.000 0.250 121 N C -0.583 174.927 175.510 -0.000 0.000 1.046 121 N CA 1.275 54.321 53.050 -0.007 0.000 0.733 121 N CB -1.083 37.386 38.487 -0.029 0.000 0.973 121 N HN 0.691 nan 8.380 nan 0.000 0.541 122 R N -0.460 120.055 120.500 0.025 0.000 2.604 122 R HA 0.460 4.800 4.340 -0.000 0.000 0.270 122 R C -0.852 175.491 176.300 0.070 0.000 1.052 122 R CA -0.778 55.349 56.100 0.045 0.000 0.902 122 R CB 1.505 31.824 30.300 0.031 0.000 1.233 122 R HN 0.057 nan 8.270 nan 0.000 0.455 123 I N 2.824 123.442 120.570 0.081 0.000 2.329 123 I HA 0.092 4.262 4.170 -0.000 0.000 0.295 123 I C 0.043 176.223 176.117 0.104 0.000 1.109 123 I CA 0.007 61.372 61.300 0.108 0.000 1.297 123 I CB 0.222 38.283 38.000 0.102 0.000 1.433 123 I HN 0.348 nan 8.210 nan 0.000 0.509 124 N N 5.780 124.549 118.700 0.114 0.000 2.530 124 N HA 0.355 5.095 4.740 -0.000 0.000 0.273 124 N C -0.846 174.694 175.510 0.049 0.000 1.173 124 N CA -0.265 52.842 53.050 0.094 0.000 0.967 124 N CB 2.053 40.621 38.487 0.135 0.000 1.109 124 N HN 0.209 nan 8.380 nan 0.000 0.453 125 V N 3.252 123.158 119.914 -0.014 0.000 2.686 125 V HA 0.485 4.605 4.120 -0.000 0.000 0.306 125 V C -0.284 175.722 176.094 -0.147 0.000 1.065 125 V CA -0.651 61.609 62.300 -0.068 0.000 0.894 125 V CB 1.945 33.722 31.823 -0.077 0.000 1.004 125 V HN 0.518 nan 8.190 nan 0.000 0.424 126 I N 4.769 125.186 120.570 -0.254 0.000 2.498 126 I HA 0.470 4.640 4.170 -0.000 0.000 0.290 126 I C -0.702 175.306 176.117 -0.181 0.000 1.032 126 I CA -0.552 60.578 61.300 -0.284 0.000 1.073 126 I CB 2.080 39.708 38.000 -0.619 0.000 1.251 126 I HN 0.337 nan 8.210 nan 0.000 0.426 127 L N 5.042 126.216 121.223 -0.082 0.000 2.292 127 L HA 0.593 4.933 4.340 -0.000 0.000 0.284 127 L C 0.101 176.964 176.870 -0.012 0.000 1.065 127 L CA 0.091 54.916 54.840 -0.025 0.000 0.806 127 L CB 1.504 43.584 42.059 0.035 0.000 1.175 127 L HN 0.676 nan 8.230 nan 0.000 0.431 128 S N 2.333 118.032 115.700 -0.002 0.000 2.586 128 S HA 0.456 4.926 4.470 -0.000 0.000 0.277 128 S C -0.220 174.398 174.600 0.031 0.000 1.131 128 S CA -0.697 57.522 58.200 0.031 0.000 0.848 128 S CB 1.504 64.744 63.200 0.067 0.000 1.091 128 S HN 0.701 nan 8.310 nan 0.000 0.453 129 R N 0.447 120.970 120.500 0.039 0.000 2.107 129 R HA 0.121 4.461 4.340 -0.000 0.000 0.195 129 R C 2.159 178.482 176.300 0.038 0.000 1.214 129 R CA 0.998 57.117 56.100 0.031 0.000 1.129 129 R CB -1.153 29.161 30.300 0.024 0.000 1.045 129 R HN 0.817 nan 8.270 nan 0.000 0.489 130 T N 0.186 114.764 114.554 0.040 0.000 2.869 130 T HA -0.061 4.288 4.350 -0.000 0.000 0.270 130 T C 0.878 175.603 174.700 0.042 0.000 1.082 130 T CA 1.005 63.126 62.100 0.035 0.000 1.123 130 T CB -0.213 68.674 68.868 0.032 0.000 0.856 130 T HN -0.047 nan 8.240 nan 0.000 0.499 131 L N 0.008 121.279 121.223 0.079 0.000 2.341 131 L HA 0.668 5.008 4.340 -0.000 0.000 0.267 131 L C -0.115 176.859 176.870 0.172 0.000 1.009 131 L CA -1.273 53.637 54.840 0.116 0.000 0.819 131 L CB 2.360 44.523 42.059 0.173 0.000 1.323 131 L HN -0.016 nan 8.230 nan 0.000 0.425 132 K N 0.223 120.732 120.400 0.183 0.000 2.409 132 K HA 0.333 4.653 4.320 -0.000 0.000 0.252 132 K C 0.264 177.011 176.600 0.246 0.000 1.036 132 K CA -0.960 55.422 56.287 0.158 0.000 0.871 132 K CB 2.458 35.002 32.500 0.074 0.000 1.374 132 K HN 0.476 nan 8.250 nan 0.000 0.459 133 K N 0.428 120.912 120.400 0.141 0.000 2.077 133 K HA -0.284 4.036 4.320 -0.000 0.000 0.213 133 K C 1.050 177.746 176.600 0.161 0.000 1.051 133 K CA 2.052 58.416 56.287 0.128 0.000 0.929 133 K CB -0.194 32.322 32.500 0.027 0.000 0.715 133 K HN 0.391 nan 8.250 nan 0.000 0.451 134 E N 1.281 121.535 120.200 0.091 0.000 2.219 134 E HA -0.155 4.194 4.350 -0.000 0.000 0.198 134 E C 1.394 178.006 176.600 0.020 0.000 0.998 134 E CA 1.523 57.951 56.400 0.046 0.000 0.818 134 E CB -0.197 29.515 29.700 0.020 0.000 0.741 134 E HN 0.405 nan 8.360 nan 0.000 0.477 135 D N -0.874 119.524 120.400 -0.003 0.000 2.349 135 D HA -0.004 4.636 4.640 -0.000 0.000 0.224 135 D C -0.397 175.647 176.300 -0.427 0.000 1.029 135 D CA 0.425 54.288 54.000 -0.229 0.000 0.879 135 D CB 0.163 40.741 40.800 -0.370 0.000 0.906 135 D HN 0.128 nan 8.370 nan 0.000 0.528 136 F N 0.167 120.102 119.950 -0.025 0.000 2.482 136 F HA 0.176 4.702 4.527 -0.000 0.000 0.331 136 F C 1.231 177.026 175.800 -0.008 0.000 1.115 136 F CA -1.107 56.884 58.000 -0.014 0.000 0.955 136 F CB 1.942 40.888 39.000 -0.090 0.000 1.136 136 F HN -0.359 nan 8.300 nan 0.000 0.452 137 D N 0.762 121.270 120.400 0.181 0.000 2.327 137 D HA -0.003 4.637 4.640 -0.000 0.000 0.205 137 D C 0.201 176.570 176.300 0.114 0.000 0.989 137 D CA 0.706 54.772 54.000 0.110 0.000 0.873 137 D CB 0.337 41.185 40.800 0.080 0.000 0.955 137 D HN 0.532 nan 8.370 nan 0.000 0.515 138 E N 0.444 120.752 120.200 0.180 0.000 2.371 138 E HA 0.148 4.497 4.350 -0.000 0.000 0.257 138 E C -0.278 176.342 176.600 0.032 0.000 1.134 138 E CA -0.291 56.196 56.400 0.145 0.000 0.919 138 E CB 0.454 30.327 29.700 0.289 0.000 1.025 138 E HN -0.032 nan 8.360 nan 0.000 0.438 139 D N 1.719 122.124 120.400 0.007 0.000 2.455 139 D HA 0.137 4.777 4.640 -0.000 0.000 0.234 139 D C -1.301 174.913 176.300 -0.145 0.000 1.224 139 D CA -0.174 53.775 54.000 -0.085 0.000 0.999 139 D CB -0.407 40.362 40.800 -0.050 0.000 1.072 139 D HN 0.256 nan 8.370 nan 0.000 0.514 140 V N 1.218 120.970 119.914 -0.269 0.000 3.012 140 V HA 0.505 4.624 4.120 -0.000 0.000 0.307 140 V C -1.224 174.599 176.094 -0.451 0.000 1.166 140 V CA -1.107 60.983 62.300 -0.351 0.000 0.974 140 V CB 1.083 32.606 31.823 -0.500 0.000 1.040 140 V HN 0.116 nan 8.190 nan 0.000 0.428 141 Y N 3.749 123.887 120.300 -0.270 0.000 2.304 141 Y HA 0.709 5.259 4.550 -0.000 0.000 0.328 141 Y C 0.411 176.112 175.900 -0.332 0.000 1.123 141 Y CA -0.662 57.294 58.100 -0.241 0.000 1.218 141 Y CB 1.426 39.780 38.460 -0.176 0.000 1.207 141 Y HN 0.497 nan 8.280 nan 0.000 0.495 142 I N 5.631 126.116 120.570 -0.142 0.000 2.441 142 I HA 0.475 4.645 4.170 -0.000 0.000 0.295 142 I C -0.154 175.909 176.117 -0.090 0.000 0.994 142 I CA -1.052 60.120 61.300 -0.214 0.000 1.144 142 I CB 1.312 39.169 38.000 -0.239 0.000 1.314 142 I HN 0.568 nan 8.210 nan 0.000 0.445 143 I N 2.279 122.797 120.570 -0.087 0.000 2.894 143 I HA 0.528 4.698 4.170 -0.000 0.000 0.302 143 I C -0.325 175.772 176.117 -0.033 0.000 1.188 143 I CA -0.791 60.480 61.300 -0.048 0.000 1.014 143 I CB 2.465 40.435 38.000 -0.049 0.000 1.242 143 I HN 0.659 nan 8.210 nan 0.000 0.430 144 N N 2.237 120.926 118.700 -0.019 0.000 2.197 144 N HA 0.338 5.078 4.740 -0.000 0.000 0.228 144 N C -0.851 174.654 175.510 -0.008 0.000 1.212 144 N CA -0.755 52.291 53.050 -0.007 0.000 0.883 144 N CB 0.789 39.275 38.487 -0.001 0.000 1.107 144 N HN 0.562 nan 8.380 nan 0.000 0.519 145 K N 0.323 120.714 120.400 -0.016 0.000 2.525 145 K HA 0.232 4.551 4.320 -0.000 0.000 0.254 145 K C 0.341 176.919 176.600 -0.036 0.000 0.934 145 K CA -0.715 55.556 56.287 -0.026 0.000 0.802 145 K CB 2.921 35.403 32.500 -0.029 0.000 1.295 145 K HN -0.232 nan 8.250 nan 0.000 0.433 146 V N 1.843 121.720 119.914 -0.062 0.000 2.392 146 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 146 V C 1.505 177.540 176.094 -0.098 0.000 1.059 146 V CA 1.883 64.118 62.300 -0.108 0.000 1.051 146 V CB -0.457 31.195 31.823 -0.285 0.000 0.658 146 V HN 0.719 nan 8.190 nan 0.000 0.455 147 E N 0.225 120.375 120.200 -0.084 0.000 2.085 147 E HA -0.212 4.137 4.350 -0.000 0.000 0.194 147 E C 1.969 178.529 176.600 -0.067 0.000 0.994 147 E CA 1.447 57.807 56.400 -0.066 0.000 0.801 147 E CB -0.478 29.195 29.700 -0.045 0.000 0.743 147 E HN 0.573 nan 8.360 nan 0.000 0.453 148 D N 0.003 120.367 120.400 -0.060 0.000 2.158 148 D HA -0.161 4.478 4.640 -0.000 0.000 0.197 148 D C 1.952 178.190 176.300 -0.103 0.000 0.995 148 D CA 0.703 54.663 54.000 -0.067 0.000 0.846 148 D CB -0.208 40.562 40.800 -0.050 0.000 0.941 148 D HN 0.128 nan 8.370 nan 0.000 0.456 149 L N 0.810 121.976 121.223 -0.095 0.000 2.083 149 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 149 L C 1.991 178.726 176.870 -0.225 0.000 1.083 149 L CA 1.297 56.058 54.840 -0.131 0.000 0.752 149 L CB -0.336 41.710 42.059 -0.022 0.000 0.899 149 L HN -0.070 nan 8.230 nan 0.000 0.433 150 I N -0.837 119.609 120.570 -0.206 0.000 2.202 150 I HA -0.201 3.968 4.170 -0.000 0.000 0.242 150 I C 2.540 178.443 176.117 -0.356 0.000 1.091 150 I CA 1.347 62.446 61.300 -0.336 0.000 1.368 150 I CB -1.473 36.436 38.000 -0.152 0.000 1.058 150 I HN 0.144 nan 8.210 nan 0.000 0.410 151 V N 1.010 120.813 119.914 -0.185 0.000 2.332 151 V HA -0.258 3.861 4.120 -0.000 0.000 0.248 151 V C 2.591 178.583 176.094 -0.171 0.000 1.055 151 V CA 1.444 63.668 62.300 -0.126 0.000 1.038 151 V CB -0.937 30.843 31.823 -0.071 0.000 0.651 151 V HN 0.308 nan 8.190 nan 0.000 0.450 152 L N -0.050 121.043 121.223 -0.218 0.000 2.012 152 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 152 L C 2.242 178.931 176.870 -0.302 0.000 1.073 152 L CA 1.841 56.519 54.840 -0.269 0.000 0.748 152 L CB -0.664 41.190 42.059 -0.342 0.000 0.891 152 L HN 0.215 nan 8.230 nan 0.000 0.431 153 L N -0.660 120.322 121.223 -0.402 0.000 2.127 153 L HA -0.163 4.176 4.340 -0.000 0.000 0.211 153 L C 2.415 179.229 176.870 -0.094 0.000 1.089 153 L CA 1.196 55.800 54.840 -0.394 0.000 0.757 153 L CB -1.330 40.317 42.059 -0.685 0.000 0.899 153 L HN 0.502 nan 8.230 nan 0.000 0.434 154 G N -0.256 108.449 108.800 -0.158 0.000 2.509 154 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.218 154 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.218 154 G C 1.604 176.562 174.900 0.097 0.000 1.124 154 G CA 0.310 45.466 45.100 0.094 0.000 0.776 154 G HN 0.370 nan 8.290 nan 0.000 0.547 155 K N -0.790 119.623 120.400 0.023 0.000 2.360 155 K HA 0.339 4.659 4.320 -0.000 0.000 0.196 155 K C 0.362 176.992 176.600 0.050 0.000 1.049 155 K CA -0.215 56.091 56.287 0.032 0.000 1.049 155 K CB 0.541 33.035 32.500 -0.011 0.000 0.881 155 K HN 0.200 nan 8.250 nan 0.000 0.542 156 L N 1.380 122.639 121.223 0.060 0.000 2.375 156 L HA 0.284 4.624 4.340 -0.000 0.000 0.268 156 L C -0.208 176.822 176.870 0.266 0.000 1.058 156 L CA -1.025 53.877 54.840 0.103 0.000 0.803 156 L CB 0.845 42.888 42.059 -0.027 0.000 1.212 156 L HN 0.012 nan 8.230 nan 0.000 0.451 157 N N 1.659 120.486 118.700 0.213 0.000 2.501 157 N HA 0.392 5.132 4.740 -0.000 0.000 0.245 157 N C -1.339 174.228 175.510 0.096 0.000 0.974 157 N CA -0.205 52.949 53.050 0.173 0.000 0.941 157 N CB 1.296 39.836 38.487 0.088 0.000 1.122 157 N HN 0.443 nan 8.380 nan 0.000 0.507 158 Y N 0.160 120.409 120.300 -0.085 0.000 2.625 158 Y HA 0.362 4.912 4.550 -0.000 0.000 0.338 158 Y C -0.098 175.792 175.900 -0.017 0.000 1.123 158 Y CA -1.142 56.905 58.100 -0.088 0.000 1.046 158 Y CB 0.440 38.897 38.460 -0.004 0.000 1.299 158 Y HN 0.242 nan 8.280 nan 0.000 0.464 159 Y N 1.654 121.887 120.300 -0.112 0.000 2.170 159 Y HA 0.448 4.997 4.550 -0.000 0.000 0.280 159 Y C -0.014 175.901 175.900 0.024 0.000 1.097 159 Y CA 0.959 59.010 58.100 -0.083 0.000 1.087 159 Y CB 0.256 38.701 38.460 -0.026 0.000 1.016 159 Y HN 0.609 nan 8.280 nan 0.000 0.485 160 K N -0.943 119.608 120.400 0.251 0.000 2.395 160 K HA 0.431 4.751 4.320 -0.000 0.000 0.247 160 K C -1.803 174.917 176.600 0.200 0.000 0.973 160 K CA -1.005 55.373 56.287 0.152 0.000 0.828 160 K CB 2.379 34.868 32.500 -0.018 0.000 1.272 160 K HN 0.163 nan 8.250 nan 0.000 0.439 161 C N 2.629 121.942 119.300 0.022 0.000 2.301 161 C HA 0.629 5.088 4.460 -0.000 0.000 0.323 161 C C -1.254 173.622 174.990 -0.190 0.000 1.265 161 C CA -0.677 58.291 59.018 -0.084 0.000 1.503 161 C CB -1.186 26.491 27.740 -0.105 0.000 2.195 161 C HN 0.616 nan 8.230 nan 0.000 0.477 162 F N 6.410 126.452 119.950 0.152 0.000 2.443 162 F HA 0.565 5.092 4.527 -0.000 0.000 0.335 162 F C 0.481 176.319 175.800 0.064 0.000 1.104 162 F CA -1.030 57.074 58.000 0.173 0.000 1.013 162 F CB 1.169 40.268 39.000 0.164 0.000 1.136 162 F HN 0.312 nan 8.300 nan 0.000 0.470 163 I N 5.484 126.194 120.570 0.233 0.000 2.269 163 I HA 0.103 4.272 4.170 -0.000 0.000 0.293 163 I C 0.950 177.148 176.117 0.134 0.000 1.106 163 I CA 0.091 61.382 61.300 -0.014 0.000 1.248 163 I CB 0.518 38.370 38.000 -0.247 0.000 1.444 163 I HN 0.708 nan 8.210 nan 0.000 0.497 164 L N 5.075 126.364 121.223 0.110 0.000 2.642 164 L HA 0.002 4.342 4.340 -0.000 0.000 0.236 164 L C 1.473 178.291 176.870 -0.086 0.000 1.169 164 L CA 0.530 55.463 54.840 0.155 0.000 0.851 164 L CB -0.879 41.307 42.059 0.212 0.000 0.968 164 L HN 0.895 nan 8.230 nan 0.000 0.453 165 G N -0.036 108.516 108.800 -0.413 0.000 2.593 165 G HA2 0.069 4.029 3.960 -0.000 0.000 0.237 165 G HA3 0.069 4.029 3.960 -0.000 0.000 0.237 165 G C 0.044 174.533 174.900 -0.685 0.000 1.312 165 G CA -0.372 43.996 45.100 -1.220 0.000 0.896 165 G HN 0.846 nan 8.290 nan 0.000 0.574 166 G N -2.858 105.484 108.800 -0.764 0.000 2.307 166 G HA2 0.517 4.477 3.960 -0.000 0.000 0.348 166 G HA3 0.517 4.477 3.960 -0.000 0.000 0.348 166 G C 0.556 175.357 174.900 -0.164 0.000 1.603 166 G CA 1.046 45.991 45.100 -0.258 0.000 0.961 166 G HN 2.128 nan 8.290 nan 0.000 0.686 167 S N -0.372 115.351 115.700 0.038 0.000 2.369 167 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 167 S C 2.648 177.297 174.600 0.082 0.000 1.043 167 S CA 2.815 61.093 58.200 0.129 0.000 1.074 167 S CB -0.340 62.920 63.200 0.100 0.000 0.962 167 S HN 1.196 nan 8.310 nan 0.000 0.433 168 V N 1.541 121.482 119.914 0.045 0.000 2.231 168 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 168 V C 2.513 178.649 176.094 0.071 0.000 1.054 168 V CA 2.125 64.456 62.300 0.053 0.000 1.015 168 V CB -0.932 30.916 31.823 0.042 0.000 0.638 168 V HN 0.475 nan 8.190 nan 0.000 0.444 169 V N -1.178 118.752 119.914 0.027 0.000 2.324 169 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 169 V C 2.227 178.426 176.094 0.175 0.000 1.060 169 V CA 2.220 64.567 62.300 0.077 0.000 1.042 169 V CB -0.922 30.841 31.823 -0.100 0.000 0.650 169 V HN 0.494 nan 8.190 nan 0.000 0.450 170 Y N 0.449 120.783 120.300 0.056 0.000 2.097 170 Y HA -0.283 4.267 4.550 -0.000 0.000 0.282 170 Y C 2.740 178.639 175.900 -0.002 0.000 1.152 170 Y CA 1.761 59.853 58.100 -0.014 0.000 1.136 170 Y CB -0.992 37.313 38.460 -0.258 0.000 0.975 170 Y HN 0.292 nan 8.280 nan 0.000 0.498 171 Q N 0.668 120.549 119.800 0.135 0.000 1.985 171 Q HA -0.293 4.047 4.340 -0.000 0.000 0.207 171 Q C 2.159 178.228 176.000 0.116 0.000 0.996 171 Q CA 2.679 58.527 55.803 0.075 0.000 0.851 171 Q CB -0.262 28.510 28.738 0.057 0.000 0.921 171 Q HN 0.720 nan 8.270 nan 0.000 0.418 172 E N -0.826 119.448 120.200 0.124 0.000 2.118 172 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 172 E C 1.826 178.448 176.600 0.037 0.000 0.992 172 E CA 1.233 57.670 56.400 0.062 0.000 0.804 172 E CB -0.575 29.138 29.700 0.022 0.000 0.741 172 E HN 0.390 nan 8.360 nan 0.000 0.458 173 F N 1.157 121.151 119.950 0.072 0.000 2.234 173 F HA -0.010 4.517 4.527 -0.000 0.000 0.299 173 F C 2.174 178.046 175.800 0.120 0.000 1.087 173 F CA 1.031 59.088 58.000 0.095 0.000 1.340 173 F CB -0.061 39.014 39.000 0.124 0.000 1.031 173 F HN -0.042 nan 8.300 nan 0.000 0.500 174 L N -0.751 120.640 121.223 0.281 0.000 2.095 174 L HA -0.142 4.198 4.340 -0.000 0.000 0.204 174 L C 2.261 179.237 176.870 0.177 0.000 1.080 174 L CA 1.170 56.161 54.840 0.253 0.000 0.759 174 L CB -0.572 41.612 42.059 0.209 0.000 0.914 174 L HN 0.075 nan 8.230 nan 0.000 0.439 175 E N 0.476 120.742 120.200 0.111 0.000 2.077 175 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 175 E C 1.701 178.322 176.600 0.036 0.000 0.989 175 E CA 1.149 57.587 56.400 0.063 0.000 0.800 175 E CB 0.048 29.770 29.700 0.037 0.000 0.746 175 E HN 0.368 nan 8.360 nan 0.000 0.452 176 K N 0.739 121.142 120.400 0.005 0.000 2.551 176 K HA 0.013 4.333 4.320 -0.000 0.000 0.192 176 K C -0.210 176.398 176.600 0.014 0.000 1.027 176 K CA 0.149 56.418 56.287 -0.030 0.000 1.059 176 K CB 0.100 32.523 32.500 -0.127 0.000 0.831 176 K HN 0.018 nan 8.250 nan 0.000 0.508 177 K N 0.612 121.055 120.400 0.072 0.000 3.071 177 K HA -0.200 4.120 4.320 -0.000 0.000 0.262 177 K C 0.249 176.921 176.600 0.121 0.000 0.977 177 K CA 0.319 56.671 56.287 0.109 0.000 0.721 177 K CB -1.572 30.956 32.500 0.047 0.000 1.293 177 K HN 0.297 nan 8.250 nan 0.000 0.475 178 L N 0.289 121.604 121.223 0.153 0.000 2.592 178 L HA 0.136 4.475 4.340 -0.000 0.000 0.227 178 L C 0.621 177.632 176.870 0.236 0.000 1.127 178 L CA -0.116 54.827 54.840 0.171 0.000 0.884 178 L CB 0.201 42.351 42.059 0.152 0.000 1.065 178 L HN 0.206 nan 8.230 nan 0.000 0.457 179 I N 0.558 121.301 120.570 0.289 0.000 2.315 179 I HA 0.046 4.216 4.170 -0.000 0.000 0.291 179 I C 1.050 177.333 176.117 0.277 0.000 1.006 179 I CA 0.301 61.766 61.300 0.276 0.000 1.265 179 I CB 1.444 39.615 38.000 0.285 0.000 1.387 179 I HN 0.102 nan 8.210 nan 0.000 0.475 180 K N 5.531 126.006 120.400 0.126 0.000 2.137 180 K HA 0.102 4.422 4.320 -0.000 0.000 0.202 180 K C 0.244 177.013 176.600 0.280 0.000 1.052 180 K CA 1.051 57.407 56.287 0.115 0.000 0.961 180 K CB 0.599 32.989 32.500 -0.183 0.000 0.741 180 K HN 0.500 nan 8.250 nan 0.000 0.452 181 K N 0.196 120.802 120.400 0.343 0.000 2.532 181 K HA 0.397 4.716 4.320 -0.000 0.000 0.265 181 K C -1.334 175.375 176.600 0.181 0.000 0.948 181 K CA -0.663 55.791 56.287 0.278 0.000 0.842 181 K CB 2.334 34.999 32.500 0.274 0.000 1.392 181 K HN -0.061 nan 8.250 nan 0.000 0.436 182 I N 2.586 123.166 120.570 0.017 0.000 2.411 182 I HA 0.249 4.418 4.170 -0.000 0.000 0.284 182 I C -1.119 175.038 176.117 0.067 0.000 1.012 182 I CA -0.753 60.592 61.300 0.076 0.000 1.119 182 I CB 0.796 38.791 38.000 -0.008 0.000 1.261 182 I HN 0.446 nan 8.210 nan 0.000 0.448 183 Y N 6.123 126.610 120.300 0.313 0.000 2.556 183 Y HA 0.245 4.795 4.550 -0.001 0.000 0.352 183 Y C -0.230 175.844 175.900 0.290 0.000 1.006 183 Y CA -0.182 58.116 58.100 0.329 0.000 1.277 183 Y CB 0.226 38.869 38.460 0.305 0.000 1.136 183 Y HN 0.388 nan 8.280 nan 0.000 0.523 184 F N 2.643 122.724 119.950 0.217 0.000 2.388 184 F HA 0.386 4.913 4.527 -0.001 0.000 0.358 184 F C 0.118 175.936 175.800 0.031 0.000 1.122 184 F CA -0.853 57.186 58.000 0.066 0.000 1.056 184 F CB 0.911 39.958 39.000 0.077 0.000 1.155 184 F HN 0.200 nan 8.300 nan 0.000 0.461 185 T N 6.654 121.251 114.554 0.071 0.000 2.743 185 T HA 0.363 4.713 4.350 -0.000 0.000 0.293 185 T C 0.011 174.643 174.700 -0.113 0.000 0.945 185 T CA -0.581 61.477 62.100 -0.071 0.000 1.030 185 T CB 0.325 69.149 68.868 -0.072 0.000 0.912 185 T HN 0.410 nan 8.240 nan 0.000 0.483 186 R N 3.305 123.640 120.500 -0.275 0.000 2.204 186 R HA 0.338 4.678 4.340 -0.000 0.000 0.341 186 R C -0.340 175.685 176.300 -0.459 0.000 1.035 186 R CA -0.733 55.087 56.100 -0.467 0.000 0.887 186 R CB 0.605 30.335 30.300 -0.950 0.000 1.114 186 R HN 0.468 nan 8.270 nan 0.000 0.473 187 I N 3.149 123.568 120.570 -0.252 0.000 2.322 187 I HA 0.001 4.171 4.170 -0.000 0.000 0.292 187 I C 0.618 176.790 176.117 0.092 0.000 1.060 187 I CA -0.406 60.768 61.300 -0.210 0.000 1.309 187 I CB 0.581 38.326 38.000 -0.424 0.000 1.415 187 I HN 0.449 nan 8.210 nan 0.000 0.492 188 N N 5.502 124.247 118.700 0.076 0.000 3.303 188 N HA 0.097 4.837 4.740 -0.000 0.000 0.304 188 N C -0.791 174.804 175.510 0.142 0.000 1.302 188 N CA -0.050 53.139 53.050 0.232 0.000 1.213 188 N CB 0.127 38.712 38.487 0.163 0.000 1.481 188 N HN 0.648 nan 8.380 nan 0.000 0.546 189 S N -1.599 114.185 115.700 0.141 0.000 2.565 189 S HA 0.488 4.958 4.470 -0.000 0.000 0.269 189 S C -0.586 173.978 174.600 -0.060 0.000 1.153 189 S CA -0.969 57.227 58.200 -0.007 0.000 0.835 189 S CB 1.290 64.454 63.200 -0.060 0.000 1.122 189 S HN 0.048 nan 8.310 nan 0.000 0.462 190 T N 1.985 116.388 114.554 -0.251 0.000 2.907 190 T HA 0.717 5.066 4.350 -0.000 0.000 0.284 190 T C -1.445 173.005 174.700 -0.417 0.000 1.004 190 T CA -0.100 61.902 62.100 -0.165 0.000 1.063 190 T CB 0.216 69.035 68.868 -0.080 0.000 0.992 190 T HN 0.570 nan 8.240 nan 0.000 0.483 191 Y N -0.310 120.069 120.300 0.131 0.000 2.609 191 Y HA 0.347 4.896 4.550 -0.001 0.000 0.336 191 Y C 0.130 176.083 175.900 0.089 0.000 1.129 191 Y CA -1.257 56.918 58.100 0.124 0.000 1.040 191 Y CB 1.356 39.929 38.460 0.187 0.000 1.310 191 Y HN 0.577 nan 8.280 nan 0.000 0.460 192 E N 1.369 121.706 120.200 0.229 0.000 2.384 192 E HA 0.436 4.786 4.350 -0.000 0.000 0.266 192 E C -1.395 175.252 176.600 0.079 0.000 1.012 192 E CA 0.186 56.663 56.400 0.129 0.000 0.901 192 E CB 0.447 30.200 29.700 0.088 0.000 0.967 192 E HN 0.638 nan 8.360 nan 0.000 0.435 193 C N 3.217 122.542 119.300 0.043 0.000 2.985 193 C HA 0.232 4.691 4.460 -0.000 0.000 0.314 193 C C -0.030 174.853 174.990 -0.178 0.000 1.215 193 C CA -0.667 58.278 59.018 -0.122 0.000 1.414 193 C CB 1.444 29.066 27.740 -0.197 0.000 1.842 193 C HN 0.943 nan 8.230 nan 0.000 0.477 194 D N -0.374 119.836 120.400 -0.316 0.000 2.498 194 D HA 0.238 4.878 4.640 -0.000 0.000 0.223 194 D C -0.097 175.983 176.300 -0.367 0.000 1.125 194 D CA 0.223 54.104 54.000 -0.198 0.000 0.835 194 D CB 0.260 41.017 40.800 -0.072 0.000 1.086 194 D HN 0.273 nan 8.370 nan 0.000 0.510 195 V N 0.577 120.082 119.914 -0.682 0.000 2.823 195 V HA 0.606 4.726 4.120 -0.000 0.000 0.312 195 V C -1.222 174.353 176.094 -0.865 0.000 1.072 195 V CA -0.811 61.187 62.300 -0.504 0.000 0.937 195 V CB 1.853 33.556 31.823 -0.200 0.000 1.013 195 V HN -0.011 nan 8.190 nan 0.000 0.430 196 F N 1.935 121.941 119.950 0.093 0.000 2.603 196 F HA 0.585 5.111 4.527 -0.000 0.000 0.317 196 F C -0.478 175.425 175.800 0.171 0.000 1.066 196 F CA -0.946 57.131 58.000 0.128 0.000 0.941 196 F CB 1.444 40.505 39.000 0.103 0.000 1.291 196 F HN 0.394 nan 8.300 nan 0.000 0.472 197 F N 3.220 123.320 119.950 0.250 0.000 2.429 197 F HA 0.514 5.041 4.527 -0.000 0.000 0.348 197 F C -2.114 173.818 175.800 0.220 0.000 1.109 197 F CA -2.082 56.012 58.000 0.157 0.000 1.232 197 F CB 0.592 39.609 39.000 0.029 0.000 1.157 197 F HN 0.207 nan 8.300 nan 0.000 0.564 198 P HA -0.049 nan 4.420 nan 0.000 0.269 198 P C -1.419 176.049 177.300 0.280 0.000 1.217 198 P CA -0.092 62.986 63.100 -0.037 0.000 0.783 198 P CB 0.357 31.920 31.700 -0.228 0.000 0.898 199 E N 2.089 122.474 120.200 0.308 0.000 2.129 199 E HA 0.162 4.511 4.350 -0.000 0.000 0.283 199 E C -0.400 176.335 176.600 0.224 0.000 1.080 199 E CA -0.352 56.260 56.400 0.352 0.000 0.867 199 E CB -0.230 29.496 29.700 0.043 0.000 1.056 199 E HN 0.270 nan 8.360 nan 0.000 0.404 200 I N 4.327 125.053 120.570 0.260 0.000 2.648 200 I HA -0.029 4.140 4.170 -0.000 0.000 0.284 200 I C 0.820 177.054 176.117 0.194 0.000 1.153 200 I CA -0.057 61.365 61.300 0.204 0.000 1.426 200 I CB 0.424 38.447 38.000 0.038 0.000 1.381 200 I HN 0.566 nan 8.210 nan 0.000 0.571 201 N N 5.903 124.735 118.700 0.220 0.000 2.414 201 N HA 0.003 4.743 4.740 -0.000 0.000 0.256 201 N C 0.691 176.307 175.510 0.177 0.000 1.029 201 N CA 0.007 53.147 53.050 0.151 0.000 0.948 201 N CB 1.124 39.670 38.487 0.098 0.000 1.102 201 N HN 0.633 nan 8.380 nan 0.000 0.496 202 E N 2.812 123.105 120.200 0.155 0.000 2.401 202 E HA -0.097 4.253 4.350 -0.000 0.000 0.199 202 E C 0.315 176.977 176.600 0.104 0.000 1.023 202 E CA 0.714 57.212 56.400 0.164 0.000 0.859 202 E CB 0.300 30.083 29.700 0.138 0.000 0.780 202 E HN 0.532 nan 8.360 nan 0.000 0.523 203 N N 0.113 118.849 118.700 0.060 0.000 2.422 203 N HA -0.031 4.709 4.740 -0.000 0.000 0.181 203 N C 0.819 176.311 175.510 -0.031 0.000 1.080 203 N CA 0.516 53.576 53.050 0.018 0.000 0.893 203 N CB 0.393 38.885 38.487 0.009 0.000 0.973 203 N HN 0.312 nan 8.380 nan 0.000 0.456 204 E N -0.877 119.285 120.200 -0.063 0.000 2.330 204 E HA 0.099 4.449 4.350 -0.000 0.000 0.200 204 E C -0.485 175.837 176.600 -0.464 0.000 0.922 204 E CA 0.374 56.602 56.400 -0.288 0.000 0.935 204 E CB 0.593 30.082 29.700 -0.352 0.000 0.917 204 E HN 0.151 nan 8.360 nan 0.000 0.491 205 Y N 0.952 121.330 120.300 0.129 0.000 2.442 205 Y HA 0.261 4.811 4.550 -0.000 0.000 0.344 205 Y C -0.663 175.373 175.900 0.227 0.000 0.976 205 Y CA -1.125 57.090 58.100 0.192 0.000 1.040 205 Y CB 1.795 40.396 38.460 0.234 0.000 1.228 205 Y HN -0.147 nan 8.280 nan 0.000 0.451 206 Q N 2.124 122.129 119.800 0.341 0.000 2.347 206 Q HA 0.670 5.010 4.340 -0.000 0.000 0.271 206 Q C -1.418 174.594 176.000 0.020 0.000 1.064 206 Q CA -0.893 55.010 55.803 0.166 0.000 0.800 206 Q CB 2.314 31.101 28.738 0.082 0.000 1.304 206 Q HN 0.687 nan 8.270 nan 0.000 0.438 207 I N 4.275 124.722 120.570 -0.205 0.000 2.668 207 I HA -0.061 4.109 4.170 -0.000 0.000 0.285 207 I C 0.994 176.995 176.117 -0.193 0.000 1.168 207 I CA 0.286 61.352 61.300 -0.390 0.000 1.424 207 I CB 0.387 38.102 38.000 -0.475 0.000 1.377 207 I HN 0.791 nan 8.210 nan 0.000 0.560 208 I N 1.001 121.479 120.570 -0.154 0.000 4.181 208 I HA 0.309 4.478 4.170 -0.000 0.000 0.331 208 I C 0.332 176.366 176.117 -0.138 0.000 1.312 208 I CA 0.126 61.353 61.300 -0.122 0.000 1.146 208 I CB 0.450 38.408 38.000 -0.070 0.000 1.074 208 I HN 0.351 nan 8.210 nan 0.000 0.402 209 S N 1.251 116.887 115.700 -0.106 0.000 2.533 209 S HA 0.647 5.116 4.470 -0.000 0.000 0.271 209 S C -0.703 173.869 174.600 -0.047 0.000 1.143 209 S CA -0.616 57.547 58.200 -0.062 0.000 0.891 209 S CB 2.747 66.007 63.200 0.101 0.000 1.105 209 S HN 0.225 nan 8.310 nan 0.000 0.468 210 V N 0.493 120.384 119.914 -0.039 0.000 2.577 210 V HA 0.906 5.025 4.120 -0.000 0.000 0.303 210 V C 0.152 176.317 176.094 0.117 0.000 1.042 210 V CA -0.721 61.602 62.300 0.038 0.000 0.872 210 V CB 1.144 33.013 31.823 0.075 0.000 0.998 210 V HN 0.927 nan 8.190 nan 0.000 0.423 211 S N 2.744 118.548 115.700 0.172 0.000 2.661 211 S HA 0.386 4.856 4.470 -0.000 0.000 0.265 211 S C 0.139 174.836 174.600 0.161 0.000 1.225 211 S CA -0.136 58.225 58.200 0.268 0.000 0.986 211 S CB 1.274 64.717 63.200 0.405 0.000 1.008 211 S HN 1.025 nan 8.310 nan 0.000 0.565 212 D N -0.543 119.934 120.400 0.127 0.000 2.354 212 D HA 0.236 4.876 4.640 -0.000 0.000 0.238 212 D C -0.570 175.512 176.300 -0.364 0.000 1.250 212 D CA -0.189 53.700 54.000 -0.185 0.000 0.911 212 D CB 0.619 41.211 40.800 -0.348 0.000 1.163 212 D HN 0.349 nan 8.370 nan 0.000 0.456 213 V N 1.820 121.405 119.914 -0.549 0.000 2.547 213 V HA 0.411 4.531 4.120 -0.000 0.000 0.299 213 V C -0.723 175.225 176.094 -0.243 0.000 1.040 213 V CA -0.458 61.609 62.300 -0.388 0.000 0.913 213 V CB 1.042 32.538 31.823 -0.545 0.000 0.992 213 V HN 0.454 nan 8.190 nan 0.000 0.449 214 Y N 0.611 120.959 120.300 0.080 0.000 2.669 214 Y HA 0.678 5.228 4.550 -0.001 0.000 0.335 214 Y C 0.236 176.202 175.900 0.111 0.000 1.116 214 Y CA -1.092 57.094 58.100 0.144 0.000 1.081 214 Y CB 2.015 40.542 38.460 0.112 0.000 1.297 214 Y HN 0.431 nan 8.280 nan 0.000 0.484 215 T N 1.089 115.821 114.554 0.296 0.000 2.824 215 T HA 0.602 4.952 4.350 -0.000 0.000 0.282 215 T C -1.174 173.606 174.700 0.134 0.000 0.993 215 T CA -0.734 61.474 62.100 0.180 0.000 0.967 215 T CB 1.220 70.182 68.868 0.157 0.000 0.960 215 T HN 0.525 nan 8.240 nan 0.000 0.441 216 S N 3.122 118.871 115.700 0.081 0.000 2.649 216 S HA 0.399 4.869 4.470 -0.000 0.000 0.274 216 S C -0.676 173.947 174.600 0.039 0.000 1.176 216 S CA -0.726 57.505 58.200 0.052 0.000 0.988 216 S CB 0.089 63.303 63.200 0.023 0.000 1.071 216 S HN 0.838 nan 8.310 nan 0.000 0.478 217 N N 3.333 122.064 118.700 0.052 0.000 2.727 217 N HA -0.182 4.557 4.740 -0.000 0.000 0.251 217 N C -0.365 175.190 175.510 0.076 0.000 1.040 217 N CA 0.850 53.937 53.050 0.062 0.000 0.712 217 N CB -1.575 36.948 38.487 0.059 0.000 0.912 217 N HN 0.839 nan 8.380 nan 0.000 0.545 218 N N -2.183 116.561 118.700 0.073 0.000 2.747 218 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 218 N C -1.073 174.483 175.510 0.078 0.000 1.107 218 N CA 1.819 54.914 53.050 0.075 0.000 0.707 218 N CB -0.668 37.864 38.487 0.076 0.000 1.054 218 N HN 0.687 nan 8.380 nan 0.000 0.555 219 T N -1.804 112.794 114.554 0.073 0.000 2.942 219 T HA 0.522 4.872 4.350 -0.000 0.000 0.327 219 T C -0.433 174.304 174.700 0.062 0.000 1.360 219 T CA -0.069 62.071 62.100 0.067 0.000 1.055 219 T CB 0.973 69.880 68.868 0.065 0.000 1.261 219 T HN 0.182 nan 8.240 nan 0.000 0.485 220 T N 2.592 117.193 114.554 0.079 0.000 2.899 220 T HA 0.809 5.159 4.350 -0.000 0.000 0.284 220 T C 0.086 174.778 174.700 -0.013 0.000 1.004 220 T CA -0.655 61.498 62.100 0.088 0.000 1.043 220 T CB 0.800 69.760 68.868 0.154 0.000 1.013 220 T HN 1.072 nan 8.240 nan 0.000 0.518 221 L N -1.245 119.938 121.223 -0.067 0.000 2.710 221 L HA 0.854 5.194 4.340 -0.000 0.000 0.260 221 L C -2.095 174.565 176.870 -0.349 0.000 0.993 221 L CA -1.190 53.491 54.840 -0.266 0.000 0.877 221 L CB 2.215 44.051 42.059 -0.370 0.000 1.461 221 L HN 0.824 nan 8.230 nan 0.000 0.413 222 D N 0.085 120.135 120.400 -0.583 0.000 2.610 222 D HA 0.639 5.279 4.640 -0.000 0.000 0.271 222 D C -1.414 174.330 176.300 -0.926 0.000 1.174 222 D CA -0.402 53.244 54.000 -0.589 0.000 0.949 222 D CB 1.557 42.189 40.800 -0.279 0.000 1.430 222 D HN 0.457 nan 8.370 nan 0.000 0.467 223 F N -0.008 119.871 119.950 -0.117 0.000 2.507 223 F HA 0.500 5.027 4.527 -0.001 0.000 0.328 223 F C 0.125 175.905 175.800 -0.033 0.000 1.136 223 F CA -1.012 56.894 58.000 -0.157 0.000 0.930 223 F CB 1.676 40.414 39.000 -0.437 0.000 1.166 223 F HN 0.372 nan 8.300 nan 0.000 0.436 224 I N 0.921 121.573 120.570 0.135 0.000 2.797 224 I HA 0.750 4.920 4.170 -0.000 0.000 0.307 224 I C -1.171 175.003 176.117 0.096 0.000 1.033 224 I CA -1.050 60.277 61.300 0.045 0.000 1.071 224 I CB 2.608 40.528 38.000 -0.133 0.000 1.255 224 I HN 0.440 nan 8.210 nan 0.000 0.445 225 I N 3.795 124.354 120.570 -0.018 0.000 2.410 225 I HA 0.359 4.529 4.170 -0.000 0.000 0.286 225 I C -1.135 174.924 176.117 -0.096 0.000 1.009 225 I CA -0.522 60.755 61.300 -0.037 0.000 1.111 225 I CB 1.458 39.430 38.000 -0.046 0.000 1.262 225 I HN 0.507 nan 8.210 nan 0.000 0.443 226 Y N 5.225 125.489 120.300 -0.060 0.000 2.320 226 Y HA 0.471 5.020 4.550 -0.000 0.000 0.324 226 Y C 0.274 176.202 175.900 0.047 0.000 1.190 226 Y CA -0.203 57.897 58.100 -0.001 0.000 1.215 226 Y CB 1.316 39.753 38.460 -0.038 0.000 1.221 226 Y HN 0.425 nan 8.280 nan 0.000 0.486 227 K N 2.227 122.820 120.400 0.322 0.000 2.422 227 K HA 0.331 4.651 4.320 -0.000 0.000 0.251 227 K C -1.159 175.714 176.600 0.455 0.000 0.933 227 K CA -0.997 55.478 56.287 0.314 0.000 0.798 227 K CB 1.487 34.087 32.500 0.166 0.000 1.238 227 K HN 0.580 nan 8.250 nan 0.000 0.428 228 K N 1.930 122.583 120.400 0.422 0.000 2.412 228 K HA 0.066 4.385 4.320 -0.000 0.000 0.281 228 K C -0.574 176.052 176.600 0.044 0.000 1.027 228 K CA 0.161 56.537 56.287 0.149 0.000 0.989 228 K CB 0.547 33.129 32.500 0.138 0.000 0.935 228 K HN 0.715 nan 8.250 nan 0.000 0.475 229 T N 0.764 115.284 114.554 -0.056 0.000 2.925 229 T HA 0.252 4.601 4.350 -0.000 0.000 0.285 229 T C -0.333 174.342 174.700 -0.043 0.000 1.021 229 T CA -1.231 60.856 62.100 -0.022 0.000 1.042 229 T CB 0.859 69.721 68.868 -0.010 0.000 1.037 229 T HN 0.613 nan 8.240 nan 0.000 0.481 230 N N 1.873 120.562 118.700 -0.019 0.000 2.400 230 N HA 0.138 4.878 4.740 -0.000 0.000 0.267 230 N C -0.056 175.440 175.510 -0.023 0.000 1.208 230 N CA -0.538 52.500 53.050 -0.020 0.000 0.951 230 N CB -0.102 38.380 38.487 -0.009 0.000 1.227 230 N HN 0.713 nan 8.380 nan 0.000 0.488 284 D N 1.081 121.480 120.400 -0.001 0.000 2.346 284 D HA 0.441 5.080 4.640 -0.000 0.000 0.255 284 D C -0.217 176.081 176.300 -0.002 0.000 1.276 284 D CA -0.100 53.897 54.000 -0.005 0.000 0.941 284 D CB 0.812 41.608 40.800 -0.006 0.000 1.199 284 D HN 0.465 nan 8.370 nan 0.000 0.537 285 E N 1.709 121.908 120.200 -0.001 0.000 1.872 285 E HA -0.046 4.303 4.350 -0.000 0.000 0.230 285 E C 0.429 177.034 176.600 0.007 0.000 1.070 285 E CA 0.011 56.414 56.400 0.005 0.000 1.469 285 E CB 0.085 29.794 29.700 0.016 0.000 4.011 285 E HN 0.132 nan 8.360 nan 0.000 0.938 286 E N 1.633 121.842 120.200 0.016 0.000 2.485 286 E HA -0.028 4.322 4.350 -0.000 0.000 0.194 286 E C 0.809 177.429 176.600 0.034 0.000 1.098 286 E CA 0.527 56.948 56.400 0.034 0.000 0.878 286 E CB 0.110 29.837 29.700 0.044 0.000 0.939 286 E HN 0.291 nan 8.360 nan 0.000 0.503 287 E N -0.665 119.536 120.200 0.001 0.000 2.290 287 E HA -0.019 4.331 4.350 -0.000 0.000 0.197 287 E C 0.799 177.379 176.600 -0.033 0.000 0.948 287 E CA 0.362 56.761 56.400 -0.002 0.000 0.895 287 E CB 0.196 29.880 29.700 -0.027 0.000 0.865 287 E HN 0.167 nan 8.360 nan 0.000 0.486 288 D N 1.389 121.714 120.400 -0.125 0.000 2.149 288 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 288 D C 1.448 177.361 176.300 -0.645 0.000 0.972 288 D CA 0.828 54.607 54.000 -0.368 0.000 0.835 288 D CB 0.036 40.665 40.800 -0.284 0.000 0.966 288 D HN 0.023 nan 8.370 nan 0.000 0.476 289 D N -0.357 119.895 120.400 -0.247 0.000 2.178 289 D HA -0.155 4.484 4.640 -0.000 0.000 0.201 289 D C 1.731 177.895 176.300 -0.226 0.000 0.980 289 D CA 0.431 54.342 54.000 -0.149 0.000 0.842 289 D CB -0.191 40.559 40.800 -0.083 0.000 0.948 289 D HN 0.220 nan 8.370 nan 0.000 0.472 290 F N 1.577 121.421 119.950 -0.177 0.000 2.146 290 F HA -0.185 4.341 4.527 -0.001 0.000 0.298 290 F C 2.172 177.948 175.800 -0.039 0.000 1.096 290 F CA 0.865 58.848 58.000 -0.028 0.000 1.275 290 F CB -0.207 38.792 39.000 -0.002 0.000 1.008 290 F HN -0.238 nan 8.300 nan 0.000 0.480 291 V N -0.416 119.418 119.914 -0.134 0.000 2.407 291 V HA -0.313 3.806 4.120 -0.000 0.000 0.248 291 V C 2.122 178.130 176.094 -0.144 0.000 1.055 291 V CA 1.827 64.014 62.300 -0.189 0.000 1.049 291 V CB -1.123 30.552 31.823 -0.248 0.000 0.662 291 V HN 0.320 nan 8.190 nan 0.000 0.455 292 Y N -0.913 119.317 120.300 -0.117 0.000 2.114 292 Y HA -0.110 4.440 4.550 -0.001 0.000 0.284 292 Y C 2.275 178.197 175.900 0.037 0.000 1.143 292 Y CA 0.810 58.836 58.100 -0.124 0.000 1.135 292 Y CB -1.211 37.062 38.460 -0.312 0.000 0.980 292 Y HN 0.191 nan 8.280 nan 0.000 0.499 293 F N 0.270 120.309 119.950 0.148 0.000 2.373 293 F HA -0.169 4.358 4.527 0.000 0.000 0.300 293 F C 1.437 177.305 175.800 0.112 0.000 1.080 293 F CA 0.787 58.861 58.000 0.123 0.000 1.417 293 F CB -0.748 38.255 39.000 0.006 0.000 1.070 293 F HN 0.172 nan 8.300 nan 0.000 0.546 294 N N -0.065 118.725 118.700 0.149 0.000 2.276 294 N HA -0.018 4.722 4.740 -0.000 0.000 0.212 294 N C 1.554 177.106 175.510 0.069 0.000 1.127 294 N CA 0.030 53.084 53.050 0.008 0.000 0.834 294 N CB -0.314 38.074 38.487 -0.164 0.000 1.014 294 N HN 0.324 nan 8.380 nan 0.000 0.491 295 F N 0.574 120.543 119.950 0.032 0.000 2.333 295 F HA 0.026 4.553 4.527 -0.001 0.000 0.300 295 F C 1.460 177.275 175.800 0.025 0.000 1.083 295 F CA 0.838 58.862 58.000 0.041 0.000 1.395 295 F CB -0.501 38.541 39.000 0.071 0.000 1.056 295 F HN -0.121 nan 8.300 nan 0.000 0.529 296 N N -0.101 117.987 118.700 -1.020 0.000 2.254 296 N HA 0.007 4.746 4.740 -0.000 0.000 0.190 296 N C -0.190 175.097 175.510 -0.371 0.000 1.107 296 N CA -0.004 52.522 53.050 -0.873 0.000 0.869 296 N CB 0.015 37.843 38.487 -1.099 0.000 0.983 296 N HN -0.097 nan 8.380 nan 0.000 0.487 297 K N 2.184 122.438 120.400 -0.243 0.000 2.491 297 K HA -0.048 4.272 4.320 -0.000 0.000 0.279 297 K C -0.035 176.500 176.600 -0.109 0.000 1.026 297 K CA 0.344 56.550 56.287 -0.135 0.000 1.070 297 K CB 0.079 32.529 32.500 -0.084 0.000 0.887 297 K HN 0.353 nan 8.250 nan 0.000 0.481 298 E N 2.341 122.488 120.200 -0.088 0.000 2.485 298 E HA -0.125 4.225 4.350 -0.000 0.000 0.266 298 E C 0.862 177.435 176.600 -0.044 0.000 1.090 298 E CA 0.095 56.455 56.400 -0.066 0.000 0.987 298 E CB 0.342 30.010 29.700 -0.052 0.000 0.974 298 E HN 0.385 nan 8.360 nan 0.000 0.455 299 K N 1.446 121.826 120.400 -0.033 0.000 2.731 299 K HA 0.112 4.432 4.320 -0.000 0.000 0.284 299 K C 0.114 176.707 176.600 -0.013 0.000 1.027 299 K CA -0.200 56.076 56.287 -0.018 0.000 1.040 299 K CB -0.016 32.476 32.500 -0.013 0.000 1.334 299 K HN 0.696 nan 8.250 nan 0.000 0.498 300 E N -0.764 119.433 120.200 -0.005 0.000 2.280 300 E HA 0.137 4.487 4.350 -0.000 0.000 0.264 300 E C -0.722 175.874 176.600 -0.007 0.000 1.064 300 E CA -0.629 55.770 56.400 -0.002 0.000 0.900 300 E CB 0.848 30.552 29.700 0.006 0.000 1.123 300 E HN 0.628 nan 8.360 nan 0.000 0.418 301 E N 0.368 120.562 120.200 -0.010 0.000 2.442 301 E HA -0.227 4.123 4.350 -0.000 0.000 0.256 301 E C -0.442 176.146 176.600 -0.019 0.000 1.095 301 E CA 0.741 57.132 56.400 -0.016 0.000 0.747 301 E CB -0.563 29.129 29.700 -0.012 0.000 1.310 301 E HN 0.607 nan 8.360 nan 0.000 0.396 302 K N -0.006 120.381 120.400 -0.022 0.000 2.612 302 K HA 0.084 4.404 4.320 -0.000 0.000 0.177 302 K C 0.601 177.184 176.600 -0.028 0.000 1.333 302 K CA 0.432 56.704 56.287 -0.025 0.000 1.120 302 K CB -0.434 32.051 32.500 -0.025 0.000 1.121 302 K HN 0.290 nan 8.250 nan 0.000 0.556 303 N N 0.895 119.577 118.700 -0.029 0.000 2.004 303 N HA -0.147 4.593 4.740 -0.000 0.000 0.196 303 N C 0.916 176.402 175.510 -0.040 0.000 1.064 303 N CA 1.605 54.635 53.050 -0.034 0.000 0.855 303 N CB 0.289 38.755 38.487 -0.036 0.000 1.056 303 N HN 0.098 nan 8.380 nan 0.000 0.423 304 K N -2.700 117.674 120.400 -0.043 0.000 1.730 304 K HA 0.089 4.408 4.320 -0.000 0.000 0.106 304 K C -0.931 175.644 176.600 -0.041 0.000 2.380 304 K CA -0.106 56.157 56.287 -0.041 0.000 1.129 304 K CB -0.028 32.445 32.500 -0.045 0.000 2.650 304 K HN 0.178 nan 8.250 nan 0.000 0.393 305 N N 0.623 119.294 118.700 -0.048 0.000 2.469 305 N HA 0.164 4.903 4.740 -0.000 0.000 0.286 305 N C -0.410 175.065 175.510 -0.059 0.000 1.275 305 N CA -0.237 52.786 53.050 -0.044 0.000 0.790 305 N CB 1.843 40.308 38.487 -0.036 0.000 1.446 305 N HN 0.021 nan 8.380 nan 0.000 0.501 306 S N 0.283 115.943 115.700 -0.067 0.000 3.983 306 S HA 0.261 4.731 4.470 -0.000 0.000 0.194 306 S C 0.139 174.628 174.600 -0.186 0.000 1.464 306 S CA -0.589 57.532 58.200 -0.133 0.000 1.021 306 S CB -0.961 62.171 63.200 -0.114 0.000 1.424 306 S HN 0.330 nan 8.310 nan 0.000 0.473 307 I N 3.188 123.689 120.570 -0.115 0.000 2.331 307 I HA 0.313 4.482 4.170 -0.000 0.000 0.292 307 I C 0.346 176.414 176.117 -0.082 0.000 0.998 307 I CA -0.588 60.700 61.300 -0.020 0.000 1.267 307 I CB 0.298 38.375 38.000 0.128 0.000 1.386 307 I HN 0.461 nan 8.210 nan 0.000 0.476 308 H N 7.077 126.139 119.070 -0.013 0.000 2.615 308 H HA 0.197 4.752 4.556 -0.000 0.000 0.363 308 H C -1.558 173.766 175.328 -0.006 0.000 1.148 308 H CA -1.246 54.791 56.048 -0.020 0.000 1.401 308 H CB 0.082 29.812 29.762 -0.052 0.000 1.461 308 H HN 0.350 nan 8.280 nan 0.000 0.588 309 P HA -0.195 nan 4.420 nan 0.000 0.210 309 P C 1.034 178.388 177.300 0.090 0.000 1.185 309 P CA 1.193 64.370 63.100 0.129 0.000 0.924 309 P CB 0.226 31.984 31.700 0.098 0.000 0.786 310 N N -0.342 118.385 118.700 0.045 0.000 2.493 310 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 310 N C 1.009 176.464 175.510 -0.091 0.000 1.041 310 N CA 1.028 54.075 53.050 -0.004 0.000 0.904 310 N CB -0.691 37.785 38.487 -0.017 0.000 0.948 310 N HN 0.234 nan 8.380 nan 0.000 0.446 311 D N -0.377 119.898 120.400 -0.208 0.000 2.218 311 D HA -0.104 4.536 4.640 -0.000 0.000 0.204 311 D C 0.390 176.240 176.300 -0.751 0.000 0.976 311 D CA 0.979 54.643 54.000 -0.560 0.000 0.853 311 D CB -0.034 40.253 40.800 -0.855 0.000 0.939 311 D HN 0.303 nan 8.370 nan 0.000 0.481 312 F N 0.021 120.034 119.950 0.106 0.000 2.835 312 F HA 0.247 4.774 4.527 -0.000 0.000 0.342 312 F C 1.650 177.523 175.800 0.123 0.000 1.202 312 F CA -0.726 57.344 58.000 0.118 0.000 1.240 312 F CB -0.290 38.803 39.000 0.156 0.000 1.005 312 F HN -0.245 nan 8.300 nan 0.000 0.507 313 Q N 1.154 121.049 119.800 0.159 0.000 2.047 313 Q HA -0.230 4.110 4.340 -0.000 0.000 0.211 313 Q C 2.019 178.080 176.000 0.101 0.000 1.005 313 Q CA 2.796 58.664 55.803 0.108 0.000 0.866 313 Q CB -0.104 28.665 28.738 0.052 0.000 0.938 313 Q HN 0.562 nan 8.270 nan 0.000 0.414 314 I N -0.475 120.155 120.570 0.099 0.000 2.113 314 I HA -0.301 3.869 4.170 -0.000 0.000 0.238 314 I C 2.338 178.497 176.117 0.069 0.000 1.070 314 I CA 1.546 62.886 61.300 0.066 0.000 1.332 314 I CB -0.635 37.403 38.000 0.064 0.000 1.044 314 I HN 0.387 nan 8.210 nan 0.000 0.402 315 Y N 2.133 122.442 120.300 0.016 0.000 2.173 315 Y HA -0.345 4.205 4.550 -0.001 0.000 0.282 315 Y C 2.189 178.008 175.900 -0.135 0.000 1.192 315 Y CA 1.945 60.023 58.100 -0.037 0.000 1.176 315 Y CB -0.329 38.120 38.460 -0.018 0.000 0.969 315 Y HN 0.241 nan 8.280 nan 0.000 0.519 316 N N -0.632 118.053 118.700 -0.024 0.000 2.373 316 N HA -0.054 4.686 4.740 -0.000 0.000 0.181 316 N C 1.915 177.332 175.510 -0.155 0.000 1.082 316 N CA 0.941 53.906 53.050 -0.141 0.000 0.885 316 N CB -0.061 38.452 38.487 0.044 0.000 0.977 316 N HN 0.545 nan 8.380 nan 0.000 0.462 317 S N 0.429 116.061 115.700 -0.113 0.000 2.406 317 S HA 0.034 4.504 4.470 -0.000 0.000 0.228 317 S C 1.022 175.514 174.600 -0.180 0.000 1.020 317 S CA 0.048 58.183 58.200 -0.107 0.000 0.965 317 S CB -0.447 62.717 63.200 -0.059 0.000 0.798 317 S HN 0.141 nan 8.310 nan 0.000 0.488 318 L N 2.181 123.255 121.223 -0.250 0.000 2.559 318 L HA 0.146 4.486 4.340 -0.000 0.000 0.274 318 L C 1.627 178.265 176.870 -0.388 0.000 1.205 318 L CA -0.373 54.277 54.840 -0.317 0.000 0.907 318 L CB 0.392 42.207 42.059 -0.406 0.000 1.153 318 L HN 0.216 nan 8.230 nan 0.000 0.490 319 K N 3.784 123.950 120.400 -0.389 0.000 2.005 319 K HA -0.040 4.280 4.320 -0.000 0.000 0.206 319 K C -0.246 175.882 176.600 -0.786 0.000 1.044 319 K CA 1.410 57.352 56.287 -0.574 0.000 0.942 319 K CB 0.071 32.213 32.500 -0.596 0.000 0.727 319 K HN 0.378 nan 8.250 nan 0.000 0.439 320 Y N 1.134 121.178 120.300 -0.426 0.000 2.356 320 Y HA 0.388 4.938 4.550 -0.001 0.000 0.334 320 Y C -0.638 174.825 175.900 -0.729 0.000 0.958 320 Y CA -0.818 56.856 58.100 -0.710 0.000 1.196 320 Y CB 1.788 39.769 38.460 -0.797 0.000 1.137 320 Y HN -0.132 nan 8.280 nan 0.000 0.485 321 K N 4.079 124.093 120.400 -0.644 0.000 2.655 321 K HA 0.198 4.518 4.320 -0.000 0.000 0.213 321 K C -0.495 175.959 176.600 -0.243 0.000 1.126 321 K CA -0.245 55.570 56.287 -0.787 0.000 1.076 321 K CB 0.243 31.904 32.500 -1.399 0.000 1.644 321 K HN 0.655 nan 8.250 nan 0.000 0.523 322 Y N -0.462 119.825 120.300 -0.022 0.000 2.511 322 Y HA -0.012 4.537 4.550 -0.000 0.000 0.279 322 Y C 1.145 177.122 175.900 0.128 0.000 1.157 322 Y CA -0.330 57.805 58.100 0.059 0.000 1.300 322 Y CB -0.551 37.931 38.460 0.035 0.000 1.052 322 Y HN 0.412 nan 8.280 nan 0.000 0.529 323 H N 2.861 122.088 119.070 0.262 0.000 2.928 323 H HA 0.001 4.557 4.556 -0.000 0.000 0.338 323 H C -1.769 173.637 175.328 0.130 0.000 1.047 323 H CA -1.565 54.545 56.048 0.104 0.000 1.435 323 H CB 1.443 31.227 29.762 0.037 0.000 1.428 323 H HN 0.027 nan 8.280 nan 0.000 0.590 324 P HA -0.167 nan 4.420 nan 0.000 0.217 324 P C 1.194 178.817 177.300 0.538 0.000 1.148 324 P CA 1.651 64.967 63.100 0.360 0.000 0.828 324 P CB 0.146 32.074 31.700 0.380 0.000 0.783 325 E N -1.684 118.826 120.200 0.515 0.000 2.331 325 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 325 E C 1.073 177.710 176.600 0.061 0.000 1.008 325 E CA 0.717 57.262 56.400 0.243 0.000 0.843 325 E CB -0.418 29.139 29.700 -0.238 0.000 0.761 325 E HN 0.296 nan 8.360 nan 0.000 0.507 326 Y N 0.590 121.009 120.300 0.198 0.000 2.509 326 Y HA -0.068 4.482 4.550 -0.001 0.000 0.293 326 Y C 2.106 178.089 175.900 0.138 0.000 1.133 326 Y CA 0.856 59.037 58.100 0.134 0.000 1.283 326 Y CB 0.050 38.556 38.460 0.075 0.000 1.001 326 Y HN 0.115 nan 8.280 nan 0.000 0.555 327 Q N -1.451 118.514 119.800 0.274 0.000 2.119 327 Q HA -0.243 4.096 4.340 -0.000 0.000 0.201 327 Q C 1.749 177.835 176.000 0.143 0.000 0.972 327 Q CA 1.825 57.722 55.803 0.157 0.000 0.847 327 Q CB -0.354 28.411 28.738 0.046 0.000 0.903 327 Q HN 0.647 nan 8.270 nan 0.000 0.433 328 Y N 1.075 121.443 120.300 0.114 0.000 2.153 328 Y HA -0.141 4.408 4.550 -0.001 0.000 0.289 328 Y C 1.885 177.775 175.900 -0.017 0.000 1.119 328 Y CA 1.164 59.292 58.100 0.047 0.000 1.116 328 Y CB -0.344 38.173 38.460 0.096 0.000 1.004 328 Y HN -0.052 nan 8.280 nan 0.000 0.501 329 L N 0.705 121.909 121.223 -0.032 0.000 2.043 329 L HA -0.303 4.036 4.340 -0.000 0.000 0.212 329 L C 2.048 178.871 176.870 -0.079 0.000 1.075 329 L CA 1.598 56.363 54.840 -0.125 0.000 0.752 329 L CB -0.767 41.299 42.059 0.011 0.000 0.891 329 L HN 0.315 nan 8.230 nan 0.000 0.432 330 N N 0.039 118.786 118.700 0.079 0.000 2.309 330 N HA -0.093 4.647 4.740 -0.000 0.000 0.182 330 N C 1.851 177.335 175.510 -0.042 0.000 1.018 330 N CA 1.158 54.278 53.050 0.118 0.000 0.876 330 N CB -0.083 38.499 38.487 0.158 0.000 0.972 330 N HN 0.395 nan 8.380 nan 0.000 0.434 331 I N 0.546 120.977 120.570 -0.231 0.000 2.333 331 I HA -0.139 4.030 4.170 -0.000 0.000 0.246 331 I C 1.778 177.644 176.117 -0.419 0.000 1.106 331 I CA 0.479 61.499 61.300 -0.465 0.000 1.411 331 I CB -0.012 37.576 38.000 -0.688 0.000 1.082 331 I HN -0.005 nan 8.210 nan 0.000 0.420 332 I N 0.309 120.618 120.570 -0.435 0.000 2.163 332 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 332 I C 2.606 178.569 176.117 -0.256 0.000 1.085 332 I CA 1.956 63.038 61.300 -0.362 0.000 1.347 332 I CB -1.306 36.453 38.000 -0.401 0.000 1.044 332 I HN 0.260 nan 8.210 nan 0.000 0.408 333 Y N 1.931 121.980 120.300 -0.417 0.000 2.145 333 Y HA -0.303 4.246 4.550 -0.001 0.000 0.286 333 Y C 2.432 178.158 175.900 -0.290 0.000 1.145 333 Y CA 2.215 60.015 58.100 -0.500 0.000 1.148 333 Y CB -0.475 37.614 38.460 -0.619 0.000 0.981 333 Y HN 0.258 nan 8.280 nan 0.000 0.507 334 D N -0.258 120.055 120.400 -0.145 0.000 2.144 334 D HA -0.199 4.441 4.640 -0.000 0.000 0.199 334 D C 2.079 178.307 176.300 -0.121 0.000 0.984 334 D CA 1.768 55.700 54.000 -0.113 0.000 0.834 334 D CB -0.324 40.507 40.800 0.053 0.000 0.955 334 D HN 0.487 nan 8.370 nan 0.000 0.465 335 I N -0.242 120.257 120.570 -0.117 0.000 2.252 335 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 335 I C 2.315 178.368 176.117 -0.106 0.000 1.102 335 I CA 0.765 62.025 61.300 -0.066 0.000 1.385 335 I CB -0.203 37.756 38.000 -0.068 0.000 1.064 335 I HN 0.115 nan 8.210 nan 0.000 0.414 336 M N -0.646 118.851 119.600 -0.172 0.000 2.296 336 M HA -0.157 4.322 4.480 -0.000 0.000 0.265 336 M C 2.042 178.233 176.300 -0.182 0.000 1.064 336 M CA 1.354 56.570 55.300 -0.139 0.000 1.109 336 M CB -0.106 32.428 32.600 -0.111 0.000 1.396 336 M HN 0.236 nan 8.290 nan 0.000 0.430 337 M N -0.680 118.728 119.600 -0.319 0.000 2.447 337 M HA 0.043 4.523 4.480 -0.000 0.000 0.266 337 M C 0.845 177.049 176.300 -0.159 0.000 1.120 337 M CA 1.127 56.251 55.300 -0.293 0.000 1.166 337 M CB -0.457 31.839 32.600 -0.508 0.000 1.349 337 M HN 0.247 nan 8.290 nan 0.000 0.463 338 N N 0.046 118.670 118.700 -0.126 0.000 2.160 338 N HA 0.161 4.900 4.740 -0.000 0.000 0.226 338 N C 0.768 176.257 175.510 -0.035 0.000 1.256 338 N CA 0.098 53.108 53.050 -0.066 0.000 0.890 338 N CB 1.103 39.562 38.487 -0.047 0.000 1.116 338 N HN 0.172 nan 8.380 nan 0.000 0.517 339 G N 0.906 109.686 108.800 -0.034 0.000 2.732 339 G HA2 0.049 4.009 3.960 -0.000 0.000 0.244 339 G HA3 0.049 4.009 3.960 -0.000 0.000 0.244 339 G C 0.101 174.994 174.900 -0.013 0.000 1.226 339 G CA -0.123 44.973 45.100 -0.008 0.000 0.860 339 G HN 0.097 nan 8.290 nan 0.000 0.583 340 N N 0.043 118.739 118.700 -0.007 0.000 2.399 340 N HA 0.223 4.962 4.740 -0.000 0.000 0.295 340 N C -0.502 174.996 175.510 -0.019 0.000 1.048 340 N CA -0.450 52.590 53.050 -0.017 0.000 0.886 340 N CB 2.132 40.605 38.487 -0.022 0.000 1.185 340 N HN 0.374 nan 8.380 nan 0.000 0.487 341 K N 2.136 122.523 120.400 -0.021 0.000 2.349 341 K HA 0.191 4.511 4.320 -0.000 0.000 0.288 341 K C -0.189 176.395 176.600 -0.026 0.000 1.058 341 K CA 0.071 56.346 56.287 -0.019 0.000 0.953 341 K CB 0.629 33.120 32.500 -0.015 0.000 0.997 341 K HN 0.433 nan 8.250 nan 0.000 0.477 342 Q N 0.881 120.662 119.800 -0.031 0.000 2.416 342 Q HA 0.249 4.588 4.340 -0.000 0.000 0.281 342 Q C -0.835 175.143 176.000 -0.037 0.000 1.067 342 Q CA -0.868 54.910 55.803 -0.041 0.000 0.809 342 Q CB 2.272 30.973 28.738 -0.061 0.000 1.418 342 Q HN 0.715 nan 8.270 nan 0.000 0.411 343 S N 0.254 115.934 115.700 -0.033 0.000 2.707 343 S HA 0.638 5.107 4.470 -0.000 0.000 0.276 343 S C -0.561 174.019 174.600 -0.032 0.000 1.179 343 S CA -0.587 57.601 58.200 -0.020 0.000 0.992 343 S CB 1.272 64.463 63.200 -0.015 0.000 1.030 343 S HN 0.693 nan 8.310 nan 0.000 0.554 344 D N -1.054 119.340 120.400 -0.010 0.000 2.626 344 D HA 0.244 4.883 4.640 -0.000 0.000 0.278 344 D C 0.598 176.903 176.300 0.009 0.000 1.211 344 D CA -0.980 53.011 54.000 -0.015 0.000 0.903 344 D CB 1.153 41.947 40.800 -0.009 0.000 1.408 344 D HN 0.544 nan 8.370 nan 0.000 0.454 345 R N -0.486 120.020 120.500 0.011 0.000 2.244 345 R HA -0.148 4.192 4.340 -0.000 0.000 0.252 345 R C 1.033 177.343 176.300 0.018 0.000 1.177 345 R CA 2.147 58.256 56.100 0.016 0.000 1.004 345 R CB -0.132 30.188 30.300 0.033 0.000 0.873 345 R HN 0.503 nan 8.270 nan 0.000 0.469 346 T N -2.437 112.138 114.554 0.035 0.000 3.356 346 T HA 0.267 4.617 4.350 -0.000 0.000 0.220 346 T C 1.100 175.803 174.700 0.005 0.000 0.963 346 T CA 0.963 63.071 62.100 0.014 0.000 1.540 346 T CB 0.354 69.219 68.868 -0.005 0.000 1.320 346 T HN 0.476 nan 8.240 nan 0.000 0.448 347 G N -0.555 108.254 108.800 0.015 0.000 4.226 347 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.220 347 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.220 347 G C 1.058 175.967 174.900 0.015 0.000 0.817 347 G CA 0.339 45.444 45.100 0.008 0.000 0.879 347 G HN 0.352 nan 8.290 nan 0.000 0.669 348 V N 1.052 120.980 119.914 0.024 0.000 2.427 348 V HA 0.392 4.512 4.120 -0.000 0.000 0.248 348 V C 1.794 177.930 176.094 0.069 0.000 1.051 348 V CA 2.131 64.450 62.300 0.032 0.000 1.048 348 V CB -1.062 30.764 31.823 0.004 0.000 0.666 348 V HN 1.813 nan 8.190 nan 0.000 0.456 349 G N -0.199 108.657 108.800 0.094 0.000 2.705 349 G HA2 0.156 4.116 3.960 -0.000 0.000 0.686 349 G HA3 0.156 4.116 3.960 -0.000 0.000 0.686 349 G C -0.804 174.139 174.900 0.072 0.000 1.285 349 G CA -0.236 44.898 45.100 0.057 0.000 0.800 349 G HN 1.396 nan 8.290 nan 0.000 0.611 350 V N -1.051 118.861 119.914 -0.003 0.000 3.206 350 V HA 0.897 5.017 4.120 -0.000 0.000 0.305 350 V C -0.157 175.918 176.094 -0.032 0.000 1.257 350 V CA -1.450 60.822 62.300 -0.048 0.000 1.057 350 V CB 2.001 33.697 31.823 -0.211 0.000 1.075 350 V HN 1.177 nan 8.190 nan 0.000 0.443 351 L N 2.838 124.050 121.223 -0.017 0.000 2.296 351 L HA 0.854 5.193 4.340 -0.000 0.000 0.286 351 L C 0.075 176.956 176.870 0.018 0.000 1.023 351 L CA -0.173 54.665 54.840 -0.003 0.000 0.812 351 L CB 1.864 43.923 42.059 -0.000 0.000 1.223 351 L HN 1.089 nan 8.230 nan 0.000 0.421 352 S N 2.675 118.391 115.700 0.028 0.000 2.569 352 S HA 0.757 5.226 4.470 -0.000 0.000 0.280 352 S C -0.977 173.676 174.600 0.089 0.000 1.111 352 S CA -1.038 57.208 58.200 0.077 0.000 0.887 352 S CB 2.956 66.197 63.200 0.068 0.000 1.095 352 S HN 0.383 nan 8.310 nan 0.000 0.476 353 K N 0.349 120.845 120.400 0.160 0.000 2.466 353 K HA 0.588 4.908 4.320 -0.000 0.000 0.260 353 K C -2.030 174.688 176.600 0.196 0.000 1.011 353 K CA -0.622 55.751 56.287 0.143 0.000 0.871 353 K CB 1.925 34.543 32.500 0.196 0.000 1.404 353 K HN 0.699 nan 8.250 nan 0.000 0.450 354 F N 0.343 120.200 119.950 -0.154 0.000 2.496 354 F HA 0.466 4.993 4.527 -0.001 0.000 0.341 354 F C -0.067 175.574 175.800 -0.265 0.000 1.134 354 F CA -0.608 57.304 58.000 -0.148 0.000 0.968 354 F CB 1.308 40.257 39.000 -0.084 0.000 1.205 354 F HN 0.663 nan 8.300 nan 0.000 0.436 355 G N 4.802 113.261 108.800 -0.568 0.000 2.860 355 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.547 355 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.547 355 G C -1.781 172.779 174.900 -0.567 0.000 1.103 355 G CA -0.833 43.916 45.100 -0.585 0.000 1.126 355 G HN 0.629 nan 8.290 nan 0.000 0.490 356 Y N 0.402 120.576 120.300 -0.211 0.000 2.605 356 Y HA 0.837 5.387 4.550 -0.000 0.000 0.343 356 Y C 0.419 176.206 175.900 -0.188 0.000 1.036 356 Y CA -1.211 56.787 58.100 -0.171 0.000 1.065 356 Y CB 2.341 40.704 38.460 -0.162 0.000 1.288 356 Y HN 0.684 nan 8.280 nan 0.000 0.481 357 I N 2.337 122.924 120.570 0.028 0.000 2.644 357 I HA 0.527 4.697 4.170 -0.000 0.000 0.291 357 I C -1.844 174.206 176.117 -0.111 0.000 1.180 357 I CA -0.642 60.612 61.300 -0.075 0.000 1.040 357 I CB 1.269 39.217 38.000 -0.087 0.000 1.255 357 I HN 0.625 nan 8.210 nan 0.000 0.422 358 M N 6.936 126.429 119.600 -0.179 0.000 2.464 358 M HA 0.513 4.993 4.480 -0.000 0.000 0.308 358 M C -1.294 174.744 176.300 -0.437 0.000 1.127 358 M CA -0.731 54.392 55.300 -0.295 0.000 0.913 358 M CB 2.520 34.976 32.600 -0.240 0.000 1.689 358 M HN 0.360 nan 8.290 nan 0.000 0.445 359 K N 2.349 122.410 120.400 -0.566 0.000 2.345 359 K HA 0.654 4.974 4.320 -0.000 0.000 0.255 359 K C -1.757 174.493 176.600 -0.583 0.000 0.934 359 K CA -0.417 55.596 56.287 -0.457 0.000 0.801 359 K CB 2.078 34.435 32.500 -0.238 0.000 1.137 359 K HN 0.395 nan 8.250 nan 0.000 0.424 360 F N 1.110 121.110 119.950 0.083 0.000 2.493 360 F HA 0.142 4.669 4.527 0.000 0.000 0.329 360 F C 0.249 176.076 175.800 0.045 0.000 1.126 360 F CA -1.134 56.976 58.000 0.185 0.000 0.937 360 F CB 1.431 40.581 39.000 0.251 0.000 1.146 360 F HN 0.401 nan 8.300 nan 0.000 0.442 361 D N 4.346 124.782 120.400 0.060 0.000 2.453 361 D HA 0.166 4.806 4.640 -0.000 0.000 0.223 361 D C 0.969 176.981 176.300 -0.481 0.000 1.183 361 D CA 0.137 54.023 54.000 -0.189 0.000 0.933 361 D CB 0.497 41.201 40.800 -0.159 0.000 1.038 361 D HN 0.577 nan 8.370 nan 0.000 0.513 362 L N 2.311 123.433 121.223 -0.169 0.000 2.549 362 L HA -0.134 4.206 4.340 -0.000 0.000 0.230 362 L C 2.220 179.038 176.870 -0.087 0.000 1.162 362 L CA 0.755 55.542 54.840 -0.089 0.000 0.834 362 L CB -0.447 41.654 42.059 0.070 0.000 0.947 362 L HN 0.326 nan 8.230 nan 0.000 0.452 363 S N -1.439 114.186 115.700 -0.125 0.000 2.496 363 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 363 S C 1.732 176.311 174.600 -0.034 0.000 0.996 363 S CA 0.127 58.297 58.200 -0.049 0.000 0.927 363 S CB 0.136 63.324 63.200 -0.020 0.000 0.774 363 S HN 0.393 nan 8.310 nan 0.000 0.524 364 Q N 0.052 119.756 119.800 -0.159 0.000 2.317 364 Q HA 0.341 4.680 4.340 -0.000 0.000 0.220 364 Q C -0.555 175.535 176.000 0.149 0.000 0.873 364 Q CA 0.235 56.035 55.803 -0.005 0.000 0.936 364 Q CB 0.590 29.368 28.738 0.067 0.000 1.105 364 Q HN 0.898 nan 8.270 nan 0.000 0.520 365 Y N -3.841 116.557 120.300 0.164 0.000 2.889 365 Y HA 0.498 5.048 4.550 -0.000 0.000 0.379 365 Y C -1.853 174.131 175.900 0.140 0.000 1.179 365 Y CA -2.227 55.979 58.100 0.178 0.000 1.178 365 Y CB 0.103 38.708 38.460 0.242 0.000 1.460 365 Y HN -0.179 nan 8.280 nan 0.000 0.472 366 F N 4.918 124.966 119.950 0.164 0.000 2.402 366 F HA 0.666 5.193 4.527 -0.000 0.000 0.355 366 F C -2.490 173.080 175.800 -0.384 0.000 1.123 366 F CA -3.276 54.676 58.000 -0.079 0.000 1.021 366 F CB 2.122 41.039 39.000 -0.138 0.000 1.160 366 F HN 0.298 nan 8.300 nan 0.000 0.451 367 P HA 0.036 nan 4.420 nan 0.000 0.235 367 P C -0.697 175.762 177.300 -1.402 0.000 1.765 367 P CA 0.058 62.093 63.100 -1.775 0.000 1.034 367 P CB 0.198 30.983 31.700 -1.526 0.000 1.984 368 L N 3.396 124.040 121.223 -0.966 0.000 2.255 368 L HA 0.219 4.558 4.340 -0.000 0.000 0.289 368 L C 0.294 177.114 176.870 -0.083 0.000 1.046 368 L CA -0.770 53.774 54.840 -0.492 0.000 0.816 368 L CB 0.269 42.134 42.059 -0.324 0.000 1.197 368 L HN 0.097 nan 8.230 nan 0.000 0.427 369 L N 4.476 125.613 121.223 -0.144 0.000 2.653 369 L HA -0.058 4.281 4.340 -0.000 0.000 0.288 369 L C 1.339 178.328 176.870 0.199 0.000 1.243 369 L CA 0.870 55.717 54.840 0.012 0.000 0.906 369 L CB 0.041 41.951 42.059 -0.249 0.000 1.154 369 L HN 0.839 nan 8.230 nan 0.000 0.498 370 T N -4.011 110.664 114.554 0.202 0.000 3.023 370 T HA -0.029 4.320 4.350 -0.000 0.000 0.253 370 T C 1.289 176.090 174.700 0.169 0.000 1.038 370 T CA 0.334 62.579 62.100 0.241 0.000 0.962 370 T CB -0.075 68.912 68.868 0.198 0.000 1.018 370 T HN 0.712 nan 8.240 nan 0.000 0.521 371 T N 0.560 115.113 114.554 -0.001 0.000 3.252 371 T HA 0.276 4.625 4.350 -0.000 0.000 0.250 371 T C 0.223 174.910 174.700 -0.021 0.000 1.123 371 T CA -0.375 61.652 62.100 -0.121 0.000 1.006 371 T CB -0.744 67.988 68.868 -0.227 0.000 0.992 371 T HN 0.835 nan 8.240 nan 0.000 0.547 372 K N -0.687 119.764 120.400 0.086 0.000 2.675 372 K HA 0.291 4.610 4.320 -0.000 0.000 0.280 372 K C -1.763 174.858 176.600 0.034 0.000 0.993 372 K CA -1.098 55.236 56.287 0.079 0.000 0.863 372 K CB 1.001 33.510 32.500 0.016 0.000 1.438 372 K HN -0.046 nan 8.250 nan 0.000 0.389 373 K N 2.811 123.184 120.400 -0.044 0.000 2.298 373 K HA 0.334 4.653 4.320 -0.000 0.000 0.280 373 K C -1.061 175.423 176.600 -0.193 0.000 1.032 373 K CA -0.378 55.728 56.287 -0.302 0.000 0.958 373 K CB 0.491 32.714 32.500 -0.462 0.000 0.978 373 K HN 0.543 nan 8.250 nan 0.000 0.472 374 L N 4.712 125.801 121.223 -0.225 0.000 2.401 374 L HA 0.489 4.829 4.340 -0.000 0.000 0.266 374 L C -1.065 175.670 176.870 -0.225 0.000 0.991 374 L CA -1.039 53.702 54.840 -0.166 0.000 0.818 374 L CB 1.401 43.280 42.059 -0.301 0.000 1.321 374 L HN 0.528 nan 8.230 nan 0.000 0.413 375 F N 2.360 122.381 119.950 0.118 0.000 2.458 375 F HA 0.456 4.983 4.527 -0.001 0.000 0.330 375 F C 0.780 176.653 175.800 0.122 0.000 1.082 375 F CA -0.638 57.423 58.000 0.101 0.000 0.995 375 F CB 1.291 40.348 39.000 0.094 0.000 1.170 375 F HN 0.262 nan 8.300 nan 0.000 0.478 376 L N 1.443 122.776 121.223 0.182 0.000 2.731 376 L HA 0.258 4.598 4.340 -0.000 0.000 0.240 376 L C 2.271 179.137 176.870 -0.007 0.000 1.120 376 L CA 0.064 54.950 54.840 0.077 0.000 0.913 376 L CB -0.053 41.987 42.059 -0.032 0.000 1.213 376 L HN 0.692 nan 8.230 nan 0.000 0.515 377 R N 1.076 121.590 120.500 0.023 0.000 2.091 377 R HA -0.148 4.191 4.340 -0.000 0.000 0.238 377 R C 2.125 178.364 176.300 -0.103 0.000 1.136 377 R CA 1.809 57.883 56.100 -0.044 0.000 0.959 377 R CB -0.289 30.008 30.300 -0.004 0.000 0.856 377 R HN 0.353 nan 8.270 nan 0.000 0.437 378 G N 1.877 110.621 108.800 -0.094 0.000 2.484 378 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.215 378 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.215 378 G C 1.478 176.257 174.900 -0.200 0.000 1.219 378 G CA 1.163 46.163 45.100 -0.166 0.000 0.791 378 G HN 0.525 nan 8.290 nan 0.000 0.550 379 I N -1.153 119.315 120.570 -0.169 0.000 2.530 379 I HA -0.086 4.083 4.170 -0.000 0.000 0.257 379 I C 2.417 178.393 176.117 -0.236 0.000 1.179 379 I CA 1.135 62.331 61.300 -0.173 0.000 1.440 379 I CB -0.261 37.711 38.000 -0.047 0.000 1.087 379 I HN 0.166 nan 8.210 nan 0.000 0.440 380 I N 0.900 121.310 120.570 -0.267 0.000 2.333 380 I HA -0.121 4.048 4.170 -0.000 0.000 0.246 380 I C 2.629 178.547 176.117 -0.332 0.000 1.106 380 I CA 0.888 61.940 61.300 -0.414 0.000 1.411 380 I CB -0.425 37.230 38.000 -0.574 0.000 1.082 380 I HN 0.191 nan 8.210 nan 0.000 0.420 381 E N 0.783 120.833 120.200 -0.251 0.000 2.110 381 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 381 E C 1.901 178.375 176.600 -0.210 0.000 0.988 381 E CA 1.147 57.433 56.400 -0.190 0.000 0.804 381 E CB -0.198 29.392 29.700 -0.185 0.000 0.745 381 E HN 0.542 nan 8.360 nan 0.000 0.458 382 E N 0.524 120.539 120.200 -0.307 0.000 2.051 382 E HA -0.191 4.158 4.350 -0.000 0.000 0.192 382 E C 2.177 178.393 176.600 -0.640 0.000 0.991 382 E CA 0.686 56.826 56.400 -0.433 0.000 0.799 382 E CB -0.057 29.384 29.700 -0.431 0.000 0.748 382 E HN 0.069 nan 8.360 nan 0.000 0.449 383 L N 1.149 122.074 121.223 -0.497 0.000 2.012 383 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 383 L C 2.242 179.075 176.870 -0.061 0.000 1.073 383 L CA 1.591 56.245 54.840 -0.311 0.000 0.748 383 L CB -0.575 41.364 42.059 -0.200 0.000 0.891 383 L HN 0.264 nan 8.230 nan 0.000 0.431 384 L N -2.387 118.815 121.223 -0.035 0.000 2.046 384 L HA -0.244 4.095 4.340 -0.000 0.000 0.208 384 L C 2.392 179.361 176.870 0.164 0.000 1.077 384 L CA 1.522 56.429 54.840 0.113 0.000 0.747 384 L CB -0.804 41.314 42.059 0.098 0.000 0.896 384 L HN 0.491 nan 8.230 nan 0.000 0.432 385 W N 0.727 121.941 121.300 -0.145 0.000 2.338 385 W HA -0.245 4.415 4.660 -0.000 0.000 0.304 385 W C 2.282 178.786 176.519 -0.026 0.000 1.212 385 W CA 1.383 58.649 57.345 -0.132 0.000 1.264 385 W CB -0.350 28.947 29.460 -0.271 0.000 1.142 385 W HN -0.012 nan 8.180 nan 0.000 0.512 386 F N 0.513 120.418 119.950 -0.075 0.000 2.046 386 F HA -0.209 4.318 4.527 -0.000 0.000 0.297 386 F C 2.396 178.124 175.800 -0.120 0.000 1.123 386 F CA 1.512 59.287 58.000 -0.375 0.000 1.199 386 F CB -1.660 36.938 39.000 -0.670 0.000 0.972 386 F HN -0.164 nan 8.300 nan 0.000 0.474 387 I N -0.091 120.683 120.570 0.341 0.000 2.185 387 I HA -0.355 3.814 4.170 -0.000 0.000 0.246 387 I C 2.368 178.637 176.117 0.254 0.000 1.088 387 I CA 1.489 63.028 61.300 0.398 0.000 1.347 387 I CB -0.485 37.759 38.000 0.407 0.000 1.041 387 I HN 0.105 nan 8.210 nan 0.000 0.415 388 R N 0.653 121.257 120.500 0.172 0.000 2.280 388 R HA -0.007 4.333 4.340 -0.000 0.000 0.207 388 R C 1.531 177.891 176.300 0.101 0.000 1.043 388 R CA 0.760 56.939 56.100 0.132 0.000 1.006 388 R CB -0.194 30.176 30.300 0.117 0.000 0.885 388 R HN 0.593 nan 8.270 nan 0.000 0.467 389 G N 1.371 110.201 108.800 0.050 0.000 2.143 389 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.249 389 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.249 389 G C -0.162 174.697 174.900 -0.068 0.000 0.981 389 G CA -0.011 45.117 45.100 0.046 0.000 0.665 389 G HN 0.386 nan 8.290 nan 0.000 0.528 390 E N -0.125 119.902 120.200 -0.288 0.000 2.408 390 E HA 0.416 4.766 4.350 -0.000 0.000 0.259 390 E C 1.366 177.531 176.600 -0.725 0.000 1.110 390 E CA 0.847 56.982 56.400 -0.441 0.000 0.929 390 E CB 0.433 29.815 29.700 -0.531 0.000 0.971 390 E HN 0.528 nan 8.360 nan 0.000 0.438 391 T N -2.211 112.114 114.554 -0.382 0.000 3.186 391 T HA 0.024 4.374 4.350 -0.000 0.000 0.292 391 T C 0.131 174.817 174.700 -0.023 0.000 0.915 391 T CA -0.556 61.354 62.100 -0.316 0.000 0.902 391 T CB 0.101 68.880 68.868 -0.148 0.000 1.192 391 T HN 0.190 nan 8.240 nan 0.000 0.563 392 N N 1.910 120.665 118.700 0.092 0.000 2.402 392 N HA 0.306 5.046 4.740 -0.000 0.000 0.252 392 N C 1.489 177.160 175.510 0.269 0.000 1.118 392 N CA 0.242 53.355 53.050 0.104 0.000 0.945 392 N CB 1.186 39.671 38.487 -0.003 0.000 1.147 392 N HN 0.395 nan 8.380 nan 0.000 0.495 393 G N 3.517 112.402 108.800 0.142 0.000 2.470 393 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.220 393 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.220 393 G C 1.252 176.115 174.900 -0.061 0.000 1.121 393 G CA 0.474 45.586 45.100 0.020 0.000 0.766 393 G HN 0.654 nan 8.290 nan 0.000 0.553 394 N N 0.007 118.703 118.700 -0.007 0.000 2.244 394 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 394 N C 2.186 177.676 175.510 -0.033 0.000 1.016 394 N CA 1.402 54.445 53.050 -0.012 0.000 0.866 394 N CB -0.157 38.350 38.487 0.032 0.000 0.980 394 N HN 0.159 nan 8.380 nan 0.000 0.430 395 T N 1.097 115.650 114.554 -0.002 0.000 2.759 395 T HA -0.104 4.246 4.350 -0.000 0.000 0.269 395 T C 1.842 176.444 174.700 -0.163 0.000 1.042 395 T CA 0.888 62.983 62.100 -0.008 0.000 1.140 395 T CB -0.195 68.764 68.868 0.151 0.000 0.864 395 T HN 0.172 nan 8.240 nan 0.000 0.455 396 L N 0.045 121.050 121.223 -0.364 0.000 2.068 396 L HA 0.069 4.408 4.340 -0.000 0.000 0.204 396 L C 2.481 179.201 176.870 -0.249 0.000 1.076 396 L CA 0.874 55.450 54.840 -0.439 0.000 0.753 396 L CB -0.512 41.122 42.059 -0.708 0.000 0.910 396 L HN 0.226 nan 8.230 nan 0.000 0.439 397 L N 0.061 121.169 121.223 -0.192 0.000 2.081 397 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 397 L C 1.986 178.801 176.870 -0.092 0.000 1.080 397 L CA 1.048 55.815 54.840 -0.123 0.000 0.754 397 L CB -0.629 41.380 42.059 -0.083 0.000 0.893 397 L HN 0.388 nan 8.230 nan 0.000 0.433 398 N N 0.138 118.792 118.700 -0.077 0.000 2.550 398 N HA -0.093 4.647 4.740 -0.000 0.000 0.186 398 N C 1.081 176.558 175.510 -0.055 0.000 1.110 398 N CA 0.916 53.937 53.050 -0.048 0.000 0.912 398 N CB 0.073 38.547 38.487 -0.022 0.000 0.968 398 N HN 0.410 nan 8.380 nan 0.000 0.448 399 K N 0.010 120.359 120.400 -0.085 0.000 2.387 399 K HA 0.128 4.447 4.320 -0.000 0.000 0.203 399 K C -0.142 176.402 176.600 -0.095 0.000 1.030 399 K CA -0.206 56.032 56.287 -0.083 0.000 1.099 399 K CB 0.375 32.814 32.500 -0.102 0.000 0.863 399 K HN -0.088 nan 8.250 nan 0.000 0.529 400 N N 0.850 119.491 118.700 -0.098 0.000 2.754 400 N HA -0.155 4.584 4.740 -0.000 0.000 0.248 400 N C -1.545 173.886 175.510 -0.132 0.000 1.093 400 N CA 0.375 53.364 53.050 -0.102 0.000 0.699 400 N CB -1.048 37.389 38.487 -0.083 0.000 1.016 400 N HN -0.069 nan 8.380 nan 0.000 0.552 401 V N 1.181 120.998 119.914 -0.161 0.000 2.384 401 V HA 0.376 4.496 4.120 -0.000 0.000 0.287 401 V C 1.053 177.032 176.094 -0.191 0.000 1.020 401 V CA -0.460 61.724 62.300 -0.194 0.000 0.850 401 V CB 1.695 33.374 31.823 -0.239 0.000 0.987 401 V HN 0.233 nan 8.190 nan 0.000 0.436 402 R N 3.474 123.867 120.500 -0.178 0.000 2.586 402 R HA 0.401 4.741 4.340 -0.000 0.000 0.336 402 R C 1.236 177.435 176.300 -0.169 0.000 1.060 402 R CA -0.151 55.858 56.100 -0.153 0.000 1.079 402 R CB 0.223 30.444 30.300 -0.130 0.000 1.317 402 R HN 0.670 nan 8.270 nan 0.000 0.568 403 I N -0.488 119.962 120.570 -0.201 0.000 2.208 403 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 403 I C 1.008 176.915 176.117 -0.349 0.000 1.097 403 I CA 1.780 62.908 61.300 -0.286 0.000 1.363 403 I CB 0.011 37.834 38.000 -0.294 0.000 1.051 403 I HN 0.342 nan 8.210 nan 0.000 0.413 404 W N 0.538 121.698 121.300 -0.234 0.000 3.239 404 W HA 0.161 4.821 4.660 -0.001 0.000 0.348 404 W C 2.119 178.518 176.519 -0.200 0.000 1.183 404 W CA -0.347 56.884 57.345 -0.190 0.000 1.819 404 W CB -0.242 29.125 29.460 -0.154 0.000 1.091 404 W HN 0.084 nan 8.180 nan 0.000 0.629 405 E N 1.396 121.581 120.200 -0.025 0.000 2.033 405 E HA -0.269 4.080 4.350 -0.000 0.000 0.199 405 E C 2.324 178.876 176.600 -0.079 0.000 1.011 405 E CA 2.145 58.515 56.400 -0.050 0.000 0.815 405 E CB -0.133 29.527 29.700 -0.068 0.000 0.755 405 E HN 0.132 nan 8.360 nan 0.000 0.451 406 A N 0.943 123.692 122.820 -0.119 0.000 2.024 406 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 406 A C 1.639 179.026 177.584 -0.327 0.000 1.164 406 A CA 1.510 53.468 52.037 -0.131 0.000 0.643 406 A CB -0.435 18.503 19.000 -0.103 0.000 0.806 406 A HN 0.338 nan 8.150 nan 0.000 0.451 407 N N -0.585 117.799 118.700 -0.527 0.000 2.322 407 N HA 0.042 4.782 4.740 -0.000 0.000 0.194 407 N C 1.125 176.301 175.510 -0.557 0.000 1.126 407 N CA 0.867 53.195 53.050 -1.203 0.000 0.845 407 N CB 0.473 38.470 38.487 -0.817 0.000 0.976 407 N HN 0.487 nan 8.380 nan 0.000 0.475 408 G N 0.505 109.195 108.800 -0.183 0.000 3.274 408 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.250 408 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.250 408 G C 0.632 175.563 174.900 0.051 0.000 1.024 408 G CA -0.082 45.011 45.100 -0.011 0.000 0.840 408 G HN 0.246 nan 8.290 nan 0.000 0.522 409 T N -1.573 113.022 114.554 0.069 0.000 2.856 409 T HA 0.229 4.578 4.350 -0.000 0.000 0.306 409 T C 1.522 176.300 174.700 0.130 0.000 1.062 409 T CA -0.206 61.952 62.100 0.096 0.000 1.083 409 T CB 1.961 70.890 68.868 0.101 0.000 0.984 409 T HN 0.069 nan 8.240 nan 0.000 0.542 410 R N 1.232 121.791 120.500 0.098 0.000 2.096 410 R HA -0.145 4.195 4.340 -0.000 0.000 0.240 410 R C 2.087 178.449 176.300 0.104 0.000 1.139 410 R CA 2.186 58.343 56.100 0.095 0.000 0.952 410 R CB -0.954 29.391 30.300 0.075 0.000 0.854 410 R HN 0.886 nan 8.270 nan 0.000 0.436 411 E N -0.463 119.799 120.200 0.102 0.000 2.023 411 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 411 E C 1.728 178.380 176.600 0.087 0.000 1.003 411 E CA 1.701 58.153 56.400 0.086 0.000 0.809 411 E CB -0.568 29.178 29.700 0.076 0.000 0.755 411 E HN 0.322 nan 8.360 nan 0.000 0.449 412 F N 1.121 121.075 119.950 0.006 0.000 2.065 412 F HA -0.234 4.292 4.527 -0.001 0.000 0.298 412 F C 1.886 177.671 175.800 -0.026 0.000 1.112 412 F CA 1.556 59.554 58.000 -0.004 0.000 1.212 412 F CB -0.324 38.681 39.000 0.009 0.000 0.975 412 F HN -0.049 nan 8.300 nan 0.000 0.476 413 L N -0.189 121.200 121.223 0.275 0.000 2.042 413 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 413 L C 2.206 179.016 176.870 -0.099 0.000 1.076 413 L CA 1.599 56.510 54.840 0.119 0.000 0.749 413 L CB -0.912 41.213 42.059 0.110 0.000 0.893 413 L HN 0.143 nan 8.230 nan 0.000 0.432 414 D N -0.368 119.994 120.400 -0.064 0.000 2.117 414 D HA -0.208 4.432 4.640 -0.000 0.000 0.197 414 D C 1.889 178.049 176.300 -0.233 0.000 0.987 414 D CA 1.132 55.063 54.000 -0.115 0.000 0.829 414 D CB -0.367 40.519 40.800 0.143 0.000 0.961 414 D HN 0.383 nan 8.370 nan 0.000 0.460 415 N N 0.470 119.055 118.700 -0.191 0.000 2.364 415 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 415 N C 1.121 176.450 175.510 -0.302 0.000 1.022 415 N CA 0.384 53.296 53.050 -0.228 0.000 0.883 415 N CB 0.213 38.527 38.487 -0.287 0.000 0.965 415 N HN -0.077 nan 8.380 nan 0.000 0.438 416 R N 1.022 121.311 120.500 -0.351 0.000 2.391 416 R HA 0.071 4.411 4.340 -0.000 0.000 0.249 416 R C 0.101 176.189 176.300 -0.352 0.000 0.957 416 R CA -0.015 55.907 56.100 -0.298 0.000 1.093 416 R CB 0.169 30.345 30.300 -0.207 0.000 1.156 416 R HN 0.104 nan 8.270 nan 0.000 0.526 417 K N -0.272 119.781 120.400 -0.580 0.000 3.209 417 K HA -0.180 4.140 4.320 -0.000 0.000 0.289 417 K C 0.088 176.172 176.600 -0.859 0.000 1.191 417 K CA 0.691 56.405 56.287 -0.954 0.000 0.851 417 K CB -2.189 30.065 32.500 -0.410 0.000 1.242 417 K HN 0.290 nan 8.250 nan 0.000 0.480 418 L N 0.950 121.803 121.223 -0.618 0.000 2.990 418 L HA 0.196 4.535 4.340 -0.000 0.000 0.231 418 L C 1.205 177.935 176.870 -0.233 0.000 1.341 418 L CA -0.495 54.167 54.840 -0.297 0.000 1.208 418 L CB -0.504 41.475 42.059 -0.134 0.000 1.571 418 L HN -0.066 nan 8.230 nan 0.000 0.453 419 F N -0.910 118.978 119.950 -0.102 0.000 2.236 419 F HA -0.203 4.324 4.527 -0.000 0.000 0.302 419 F C 2.153 177.780 175.800 -0.288 0.000 1.073 419 F CA 1.102 58.968 58.000 -0.222 0.000 1.336 419 F CB -0.532 38.253 39.000 -0.357 0.000 1.040 419 F HN 0.400 nan 8.300 nan 0.000 0.507 420 H N -0.609 118.570 119.070 0.183 0.000 2.505 420 H HA 0.273 4.829 4.556 -0.001 0.000 0.289 420 H C 0.299 175.681 175.328 0.090 0.000 1.052 420 H CA -0.148 55.974 56.048 0.124 0.000 1.156 420 H CB -0.035 29.790 29.762 0.104 0.000 1.507 420 H HN -0.003 nan 8.280 nan 0.000 0.548 421 R N 1.860 122.447 120.500 0.145 0.000 2.312 421 R HA 0.128 4.468 4.340 -0.000 0.000 0.311 421 R C -0.097 176.269 176.300 0.110 0.000 1.004 421 R CA -0.462 55.709 56.100 0.118 0.000 0.902 421 R CB 0.706 31.050 30.300 0.073 0.000 1.073 421 R HN 0.216 nan 8.270 nan 0.000 0.457 422 E N 2.849 123.117 120.200 0.114 0.000 2.398 422 E HA 0.080 4.430 4.350 -0.000 0.000 0.263 422 E C -0.618 176.035 176.600 0.089 0.000 1.046 422 E CA -0.493 55.973 56.400 0.109 0.000 0.908 422 E CB 0.842 30.622 29.700 0.133 0.000 0.963 422 E HN 0.390 nan 8.360 nan 0.000 0.431 423 V N 5.303 125.268 119.914 0.085 0.000 2.644 423 V HA -0.150 3.970 4.120 -0.000 0.000 0.305 423 V C 0.774 176.903 176.094 0.059 0.000 1.053 423 V CA 1.679 64.023 62.300 0.073 0.000 1.186 423 V CB -0.258 31.606 31.823 0.067 0.000 0.895 423 V HN 1.091 nan 8.190 nan 0.000 0.490 424 N N 1.195 119.924 118.700 0.050 0.000 2.909 424 N HA -0.172 4.567 4.740 -0.000 0.000 0.242 424 N C 0.164 175.690 175.510 0.027 0.000 0.975 424 N CA 0.872 53.944 53.050 0.036 0.000 0.921 424 N CB -0.473 38.030 38.487 0.026 0.000 1.112 424 N HN 0.839 nan 8.380 nan 0.000 0.581 425 D N 1.488 121.906 120.400 0.030 0.000 2.494 425 D HA 0.166 4.806 4.640 -0.000 0.000 0.217 425 D C 1.129 177.433 176.300 0.007 0.000 1.153 425 D CA -0.220 53.792 54.000 0.021 0.000 0.954 425 D CB 0.241 41.074 40.800 0.055 0.000 1.034 425 D HN 0.293 nan 8.370 nan 0.000 0.518 426 L N 2.492 123.700 121.223 -0.025 0.000 2.450 426 L HA 0.048 4.387 4.340 -0.000 0.000 0.224 426 L C 1.620 178.358 176.870 -0.220 0.000 1.149 426 L CA 0.600 55.398 54.840 -0.071 0.000 0.816 426 L CB -0.810 41.201 42.059 -0.080 0.000 0.932 426 L HN 0.576 nan 8.230 nan 0.000 0.449 427 G N 0.235 108.811 108.800 -0.372 0.000 2.660 427 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.215 427 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.215 427 G C -2.507 171.649 174.900 -1.240 0.000 1.345 427 G CA -0.362 44.184 45.100 -0.922 0.000 0.877 427 G HN 0.058 nan 8.290 nan 0.000 0.549 428 P HA 0.276 nan 4.420 nan 0.000 0.231 428 P C 0.758 177.789 177.300 -0.448 0.000 1.756 428 P CA 0.129 62.652 63.100 -0.961 0.000 0.990 428 P CB -0.968 30.210 31.700 -0.869 0.000 1.973 429 I N -3.071 117.247 120.570 -0.420 0.000 3.640 429 I HA 0.227 4.396 4.170 -0.000 0.000 0.288 429 I C 1.519 177.400 176.117 -0.393 0.000 1.248 429 I CA -1.088 59.978 61.300 -0.391 0.000 0.911 429 I CB -0.245 37.542 38.000 -0.355 0.000 1.533 429 I HN -0.103 nan 8.210 nan 0.000 0.686 430 Y N 1.728 121.763 120.300 -0.441 0.000 1.987 430 Y HA -0.354 4.195 4.550 -0.001 0.000 0.222 430 Y C 2.667 178.025 175.900 -0.903 0.000 1.222 430 Y CA 2.712 60.293 58.100 -0.865 0.000 1.007 430 Y CB -1.815 35.660 38.460 -1.642 0.000 0.811 430 Y HN 0.798 nan 8.280 nan 0.000 0.530 431 G N -1.096 107.336 108.800 -0.613 0.000 2.553 431 G HA2 -0.370 3.589 3.960 -0.000 0.000 0.218 431 G HA3 -0.370 3.589 3.960 -0.000 0.000 0.218 431 G C 1.618 176.459 174.900 -0.098 0.000 1.195 431 G CA 1.299 46.180 45.100 -0.364 0.000 0.779 431 G HN 0.441 nan 8.290 nan 0.000 0.577 432 F N 1.291 121.112 119.950 -0.215 0.000 2.126 432 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 432 F C 2.963 178.767 175.800 0.007 0.000 1.096 432 F CA 2.116 60.068 58.000 -0.080 0.000 1.255 432 F CB -0.038 38.836 39.000 -0.210 0.000 0.997 432 F HN 0.099 nan 8.300 nan 0.000 0.479 433 Q N -0.913 118.913 119.800 0.044 0.000 2.167 433 Q HA -0.194 4.145 4.340 -0.000 0.000 0.202 433 Q C 2.049 178.235 176.000 0.310 0.000 0.970 433 Q CA 1.330 57.208 55.803 0.125 0.000 0.855 433 Q CB -0.883 27.950 28.738 0.158 0.000 0.911 433 Q HN 0.544 nan 8.270 nan 0.000 0.438 434 W N 0.854 122.158 121.300 0.006 0.000 2.436 434 W HA -0.030 4.630 4.660 -0.000 0.000 0.284 434 W C 1.824 178.303 176.519 -0.067 0.000 1.225 434 W CA 0.575 57.934 57.345 0.023 0.000 1.271 434 W CB 0.058 29.544 29.460 0.043 0.000 1.114 434 W HN 0.110 nan 8.180 nan 0.000 0.559 435 R N -1.683 118.828 120.500 0.019 0.000 2.279 435 R HA 0.116 4.456 4.340 -0.000 0.000 0.195 435 R C 0.421 176.226 176.300 -0.825 0.000 0.905 435 R CA 0.697 56.583 56.100 -0.358 0.000 1.044 435 R CB -0.412 29.640 30.300 -0.413 0.000 1.056 435 R HN 0.284 nan 8.270 nan 0.000 0.535 436 H N -1.066 117.823 119.070 -0.301 0.000 2.777 436 H HA 0.144 4.700 4.556 -0.000 0.000 0.244 436 H C -0.544 174.548 175.328 -0.393 0.000 1.185 436 H CA -0.899 54.870 56.048 -0.464 0.000 0.945 436 H CB -0.114 29.077 29.762 -0.953 0.000 1.994 436 H HN -0.079 nan 8.280 nan 0.000 0.638 437 F N 2.549 122.368 119.950 -0.218 0.000 2.580 437 F HA 0.196 4.723 4.527 -0.000 0.000 0.398 437 F C 1.428 177.211 175.800 -0.029 0.000 1.023 437 F CA 2.110 60.060 58.000 -0.082 0.000 1.188 437 F CB 0.258 39.254 39.000 -0.006 0.000 1.005 437 F HN 0.543 nan 8.300 nan 0.000 0.546 438 G N 3.334 112.165 108.800 0.051 0.000 2.313 438 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.215 438 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.215 438 G C 0.287 175.259 174.900 0.121 0.000 1.023 438 G CA -0.136 45.053 45.100 0.148 0.000 0.626 438 G HN 1.371 nan 8.290 nan 0.000 0.503 439 A N 1.007 123.905 122.820 0.129 0.000 2.477 439 A HA 0.532 4.852 4.320 -0.000 0.000 0.246 439 A C 0.509 178.288 177.584 0.325 0.000 1.078 439 A CA 0.182 52.349 52.037 0.217 0.000 0.770 439 A CB 0.233 19.353 19.000 0.201 0.000 1.011 439 A HN 0.308 nan 8.150 nan 0.000 0.494 440 E N 1.171 121.518 120.200 0.246 0.000 2.351 440 E HA 0.031 4.381 4.350 -0.000 0.000 0.266 440 E C -0.941 175.805 176.600 0.243 0.000 1.031 440 E CA 0.392 56.909 56.400 0.194 0.000 0.911 440 E CB 0.449 30.225 29.700 0.128 0.000 0.986 440 E HN 0.545 nan 8.360 nan 0.000 0.446 441 Y N 2.672 122.940 120.300 -0.054 0.000 2.335 441 Y HA -0.010 4.539 4.550 -0.000 0.000 0.331 441 Y C 1.524 177.408 175.900 -0.026 0.000 1.094 441 Y CA 0.496 58.446 58.100 -0.250 0.000 1.253 441 Y CB 0.807 38.869 38.460 -0.663 0.000 1.203 441 Y HN 0.542 nan 8.280 nan 0.000 0.508 442 T N 1.260 115.578 114.554 -0.393 0.000 3.348 442 T HA 0.268 4.618 4.350 -0.000 0.000 0.233 442 T C -0.193 174.280 174.700 -0.377 0.000 0.960 442 T CA 0.584 62.533 62.100 -0.252 0.000 1.343 442 T CB -0.155 68.601 68.868 -0.187 0.000 1.068 442 T HN 0.709 nan 8.240 nan 0.000 0.410 443 N N -0.021 118.364 118.700 -0.526 0.000 2.591 443 N HA 0.312 5.052 4.740 -0.000 0.000 0.263 443 N C 0.737 176.056 175.510 -0.318 0.000 1.308 443 N CA -0.598 52.267 53.050 -0.308 0.000 0.837 443 N CB 0.979 39.441 38.487 -0.042 0.000 1.548 443 N HN 0.413 nan 8.380 nan 0.000 0.493 444 M N -1.558 117.975 119.600 -0.112 0.000 2.530 444 M HA -0.036 4.443 4.480 -0.000 0.000 0.261 444 M C -0.221 175.967 176.300 -0.187 0.000 1.067 444 M CA 1.370 56.605 55.300 -0.107 0.000 1.071 444 M CB -0.562 31.918 32.600 -0.201 0.000 1.405 444 M HN 0.577 nan 8.290 nan 0.000 0.478 445 Y N 0.486 120.771 120.300 -0.026 0.000 2.462 445 Y HA 0.286 4.835 4.550 -0.000 0.000 0.261 445 Y C 0.795 176.621 175.900 -0.124 0.000 1.146 445 Y CA -0.690 57.385 58.100 -0.042 0.000 1.283 445 Y CB -0.288 38.149 38.460 -0.039 0.000 1.090 445 Y HN 0.265 nan 8.280 nan 0.000 0.526 446 D N 0.603 120.927 120.400 -0.125 0.000 2.361 446 D HA -0.064 4.576 4.640 -0.000 0.000 0.239 446 D C -0.223 175.801 176.300 -0.460 0.000 1.200 446 D CA 0.136 53.895 54.000 -0.402 0.000 0.915 446 D CB 0.476 40.798 40.800 -0.796 0.000 1.170 446 D HN 0.006 nan 8.370 nan 0.000 0.444 447 N N 2.229 120.665 118.700 -0.441 0.000 2.457 447 N HA 0.018 4.757 4.740 -0.000 0.000 0.250 447 N C -0.749 174.526 175.510 -0.392 0.000 0.982 447 N CA -0.144 52.743 53.050 -0.272 0.000 0.941 447 N CB 0.206 38.612 38.487 -0.135 0.000 1.120 447 N HN 0.346 nan 8.380 nan 0.000 0.505 448 Y N 1.029 121.251 120.300 -0.130 0.000 2.571 448 Y HA 0.235 4.785 4.550 -0.000 0.000 0.275 448 Y C 0.550 176.380 175.900 -0.116 0.000 1.179 448 Y CA -0.430 57.521 58.100 -0.249 0.000 1.242 448 Y CB -0.000 38.063 38.460 -0.661 0.000 1.126 448 Y HN 0.407 nan 8.280 nan 0.000 0.524 449 E N 2.160 122.432 120.200 0.120 0.000 2.765 449 E HA -0.164 4.186 4.350 -0.000 0.000 0.256 449 E C 0.172 176.880 176.600 0.180 0.000 0.935 449 E CA 0.433 56.945 56.400 0.186 0.000 0.954 449 E CB 0.032 29.794 29.700 0.104 0.000 0.908 449 E HN 0.410 nan 8.360 nan 0.000 0.500 450 N N 2.316 121.142 118.700 0.210 0.000 2.714 450 N HA -0.203 4.536 4.740 -0.000 0.000 0.250 450 N C -1.085 174.520 175.510 0.159 0.000 1.117 450 N CA 1.248 54.386 53.050 0.146 0.000 0.719 450 N CB -0.723 37.819 38.487 0.092 0.000 1.081 450 N HN 0.443 nan 8.380 nan 0.000 0.557 451 K N 0.735 121.285 120.400 0.251 0.000 2.244 451 K HA 0.604 4.924 4.320 -0.000 0.000 0.260 451 K C 0.801 177.544 176.600 0.239 0.000 0.951 451 K CA 0.088 56.506 56.287 0.218 0.000 0.826 451 K CB 1.941 34.575 32.500 0.223 0.000 1.108 451 K HN 0.274 nan 8.250 nan 0.000 0.433 452 G N 0.501 109.389 108.800 0.146 0.000 2.746 452 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.685 452 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.685 452 G C -0.720 174.221 174.900 0.068 0.000 1.350 452 G CA -1.067 44.098 45.100 0.109 0.000 0.837 452 G HN 0.352 nan 8.290 nan 0.000 0.564 453 V N 1.206 121.166 119.914 0.077 0.000 2.488 453 V HA 0.321 4.440 4.120 -0.000 0.000 0.277 453 V C 0.577 176.653 176.094 -0.030 0.000 1.046 453 V CA 0.256 62.570 62.300 0.024 0.000 0.986 453 V CB 1.650 33.477 31.823 0.008 0.000 0.989 453 V HN 0.752 nan 8.190 nan 0.000 0.475 454 D N 4.275 124.639 120.400 -0.061 0.000 2.517 454 D HA 0.138 4.778 4.640 -0.000 0.000 0.220 454 D C 1.251 177.525 176.300 -0.043 0.000 1.158 454 D CA 0.091 54.036 54.000 -0.093 0.000 0.992 454 D CB 0.771 41.519 40.800 -0.087 0.000 1.058 454 D HN 0.612 nan 8.370 nan 0.000 0.516 455 Q N 1.246 121.034 119.800 -0.021 0.000 2.061 455 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 455 Q C 1.743 177.722 176.000 -0.035 0.000 0.984 455 Q CA 0.938 56.725 55.803 -0.027 0.000 0.846 455 Q CB 0.095 28.825 28.738 -0.013 0.000 0.902 455 Q HN 0.402 nan 8.270 nan 0.000 0.421 456 L N 1.520 122.733 121.223 -0.016 0.000 1.990 456 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 456 L C 2.090 178.948 176.870 -0.020 0.000 1.072 456 L CA 1.923 56.755 54.840 -0.012 0.000 0.755 456 L CB -0.506 41.609 42.059 0.093 0.000 0.889 456 L HN 0.027 nan 8.230 nan 0.000 0.432 457 K N -0.228 120.167 120.400 -0.009 0.000 2.044 457 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 457 K C 1.955 178.535 176.600 -0.034 0.000 1.049 457 K CA 1.633 57.909 56.287 -0.018 0.000 0.927 457 K CB -0.713 31.779 32.500 -0.013 0.000 0.713 457 K HN 0.436 nan 8.250 nan 0.000 0.443 458 N N 1.257 119.937 118.700 -0.034 0.000 2.069 458 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 458 N C 1.952 177.437 175.510 -0.042 0.000 1.031 458 N CA 1.495 54.524 53.050 -0.035 0.000 0.852 458 N CB -0.415 38.053 38.487 -0.033 0.000 1.018 458 N HN 0.432 nan 8.380 nan 0.000 0.423 459 I N -2.080 118.460 120.570 -0.050 0.000 2.546 459 I HA 0.010 4.180 4.170 -0.000 0.000 0.255 459 I C 1.843 177.880 176.117 -0.133 0.000 1.163 459 I CA 1.052 62.315 61.300 -0.062 0.000 1.457 459 I CB -0.248 37.733 38.000 -0.031 0.000 1.092 459 I HN -0.056 nan 8.210 nan 0.000 0.434 460 I N 1.641 122.129 120.570 -0.138 0.000 2.439 460 I HA -0.172 3.998 4.170 -0.000 0.000 0.251 460 I C 2.029 178.082 176.117 -0.106 0.000 1.139 460 I CA 0.959 62.166 61.300 -0.155 0.000 1.438 460 I CB -0.540 37.388 38.000 -0.120 0.000 1.085 460 I HN 0.329 nan 8.210 nan 0.000 0.427 461 N N 0.771 119.427 118.700 -0.073 0.000 2.216 461 N HA -0.051 4.688 4.740 -0.000 0.000 0.183 461 N C 1.949 177.427 175.510 -0.054 0.000 1.017 461 N CA 1.102 54.119 53.050 -0.055 0.000 0.861 461 N CB -0.162 38.301 38.487 -0.039 0.000 0.986 461 N HN 0.317 nan 8.380 nan 0.000 0.428 462 L N 0.646 121.838 121.223 -0.052 0.000 2.141 462 L HA -0.020 4.319 4.340 -0.000 0.000 0.209 462 L C 2.071 178.911 176.870 -0.051 0.000 1.094 462 L CA 0.717 55.533 54.840 -0.039 0.000 0.763 462 L CB -0.282 41.766 42.059 -0.020 0.000 0.908 462 L HN 0.098 nan 8.230 nan 0.000 0.437 463 I N -0.259 120.262 120.570 -0.082 0.000 2.315 463 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 463 I C 2.445 178.510 176.117 -0.087 0.000 1.117 463 I CA 1.310 62.551 61.300 -0.098 0.000 1.404 463 I CB -0.164 37.732 38.000 -0.173 0.000 1.071 463 I HN 0.205 nan 8.210 nan 0.000 0.419 464 K N 0.520 120.870 120.400 -0.083 0.000 2.076 464 K HA -0.030 4.290 4.320 -0.000 0.000 0.204 464 K C 1.351 177.917 176.600 -0.056 0.000 1.051 464 K CA 1.081 57.327 56.287 -0.070 0.000 0.949 464 K CB 0.033 32.494 32.500 -0.064 0.000 0.726 464 K HN 0.313 nan 8.250 nan 0.000 0.443 465 N N -0.031 118.640 118.700 -0.048 0.000 2.197 465 N HA -0.035 4.705 4.740 -0.000 0.000 0.201 465 N C -0.394 175.096 175.510 -0.034 0.000 1.148 465 N CA 0.465 53.492 53.050 -0.039 0.000 0.883 465 N CB 0.990 39.458 38.487 -0.032 0.000 1.012 465 N HN 0.038 nan 8.380 nan 0.000 0.507 466 D N 0.455 120.834 120.400 -0.035 0.000 3.060 466 D HA 0.141 4.780 4.640 -0.000 0.000 0.326 466 D C -1.794 174.488 176.300 -0.030 0.000 1.253 466 D CA -1.409 52.575 54.000 -0.027 0.000 0.737 466 D CB 0.878 41.667 40.800 -0.018 0.000 1.260 466 D HN -0.066 nan 8.370 nan 0.000 0.542 467 P HA -0.191 nan 4.420 nan 0.000 0.217 467 P C 1.216 178.479 177.300 -0.062 0.000 1.148 467 P CA 1.391 64.456 63.100 -0.059 0.000 0.828 467 P CB -0.157 31.496 31.700 -0.078 0.000 0.783 468 T N -4.160 110.367 114.554 -0.045 0.000 3.148 468 T HA 0.047 4.396 4.350 -0.000 0.000 0.253 468 T C 1.051 175.749 174.700 -0.003 0.000 1.134 468 T CA -0.094 61.986 62.100 -0.034 0.000 1.051 468 T CB -0.853 68.008 68.868 -0.011 0.000 0.959 468 T HN 0.067 nan 8.240 nan 0.000 0.525 469 S N 1.176 116.877 115.700 0.002 0.000 2.558 469 S HA 0.117 4.587 4.470 -0.000 0.000 0.288 469 S C 0.828 175.456 174.600 0.047 0.000 1.318 469 S CA -0.507 57.705 58.200 0.021 0.000 1.056 469 S CB 0.283 63.493 63.200 0.017 0.000 0.853 469 S HN 0.575 nan 8.310 nan 0.000 0.505 470 R N 2.749 123.279 120.500 0.050 0.000 2.609 470 R HA 0.259 4.599 4.340 -0.000 0.000 0.326 470 R C 0.649 176.980 176.300 0.053 0.000 1.090 470 R CA -0.079 56.062 56.100 0.068 0.000 1.072 470 R CB 0.268 30.603 30.300 0.059 0.000 1.330 470 R HN 0.569 nan 8.270 nan 0.000 0.572 471 R N 0.426 120.954 120.500 0.048 0.000 2.565 471 R HA 0.284 4.623 4.340 -0.000 0.000 0.347 471 R C -0.055 176.274 176.300 0.050 0.000 1.010 471 R CA -0.141 55.980 56.100 0.036 0.000 1.126 471 R CB 0.688 30.999 30.300 0.018 0.000 1.331 471 R HN 0.084 nan 8.270 nan 0.000 0.552 472 I N 2.424 123.045 120.570 0.086 0.000 2.270 472 I HA 0.095 4.264 4.170 -0.000 0.000 0.300 472 I C -0.678 175.544 176.117 0.176 0.000 1.186 472 I CA 0.019 61.400 61.300 0.135 0.000 1.431 472 I CB -0.130 37.982 38.000 0.186 0.000 1.485 472 I HN -0.110 nan 8.210 nan 0.000 0.650 473 L N 5.419 126.708 121.223 0.109 0.000 2.354 473 L HA 0.547 4.886 4.340 -0.000 0.000 0.269 473 L C -0.648 176.271 176.870 0.082 0.000 1.005 473 L CA -0.614 54.278 54.840 0.086 0.000 0.819 473 L CB 2.056 44.139 42.059 0.039 0.000 1.311 473 L HN 0.288 nan 8.230 nan 0.000 0.423 474 L N 2.579 123.856 121.223 0.090 0.000 2.345 474 L HA 0.538 4.878 4.340 -0.000 0.000 0.274 474 L C -1.066 175.880 176.870 0.127 0.000 0.999 474 L CA -0.063 54.803 54.840 0.043 0.000 0.849 474 L CB 1.200 43.242 42.059 -0.029 0.000 1.220 474 L HN 0.695 nan 8.230 nan 0.000 0.422 475 C N 3.948 123.342 119.300 0.156 0.000 2.322 475 C HA 0.789 5.249 4.460 -0.000 0.000 0.324 475 C C 1.346 176.596 174.990 0.433 0.000 1.284 475 C CA 0.007 59.187 59.018 0.271 0.000 1.606 475 C CB 0.603 28.459 27.740 0.193 0.000 2.251 475 C HN 0.969 nan 8.230 nan 0.000 0.502 476 A N 4.870 127.978 122.820 0.481 0.000 2.252 476 A HA 0.192 4.512 4.320 -0.000 0.000 0.213 476 A C 0.912 178.678 177.584 0.305 0.000 1.188 476 A CA -0.222 52.056 52.037 0.401 0.000 0.863 476 A CB -0.105 19.085 19.000 0.316 0.000 0.893 476 A HN 0.929 nan 8.150 nan 0.000 0.495 477 W N 2.601 124.013 121.300 0.187 0.000 2.081 477 W HA 0.181 4.841 4.660 -0.000 0.000 0.433 477 W C -0.511 176.109 176.519 0.170 0.000 0.876 477 W CA -0.506 56.915 57.345 0.127 0.000 1.631 477 W CB -0.015 29.521 29.460 0.127 0.000 1.757 477 W HN 0.217 nan 8.180 nan 0.000 0.298 478 N N 3.961 122.590 118.700 -0.119 0.000 2.663 478 N HA -0.008 4.732 4.740 -0.000 0.000 0.250 478 N C 1.069 176.347 175.510 -0.387 0.000 1.129 478 N CA 0.090 52.994 53.050 -0.244 0.000 0.995 478 N CB 0.788 38.883 38.487 -0.653 0.000 1.324 478 N HN 0.184 nan 8.380 nan 0.000 0.512 479 V N 3.420 123.165 119.914 -0.281 0.000 2.418 479 V HA -0.298 3.822 4.120 -0.000 0.000 0.258 479 V C 2.392 178.351 176.094 -0.225 0.000 1.088 479 V CA 1.876 64.008 62.300 -0.280 0.000 1.091 479 V CB -0.401 31.417 31.823 -0.008 0.000 0.669 479 V HN 0.653 nan 8.190 nan 0.000 0.461 480 K N -0.626 119.667 120.400 -0.179 0.000 2.217 480 K HA -0.143 4.176 4.320 -0.000 0.000 0.202 480 K C 1.330 177.818 176.600 -0.187 0.000 1.051 480 K CA 1.473 57.672 56.287 -0.146 0.000 0.952 480 K CB 0.007 32.445 32.500 -0.103 0.000 0.736 480 K HN 0.477 nan 8.250 nan 0.000 0.453 481 D N 0.314 120.554 120.400 -0.267 0.000 2.379 481 D HA 0.038 4.678 4.640 -0.000 0.000 0.208 481 D C 1.665 177.786 176.300 -0.298 0.000 1.065 481 D CA 0.035 53.875 54.000 -0.267 0.000 0.848 481 D CB 0.202 40.824 40.800 -0.297 0.000 0.949 481 D HN 0.125 nan 8.370 nan 0.000 0.509 482 L N 1.098 122.101 121.223 -0.366 0.000 2.026 482 L HA -0.297 4.043 4.340 -0.000 0.000 0.231 482 L C 1.868 178.586 176.870 -0.253 0.000 1.095 482 L CA 1.625 56.229 54.840 -0.394 0.000 0.810 482 L CB -0.558 41.202 42.059 -0.498 0.000 0.909 482 L HN 0.009 nan 8.230 nan 0.000 0.444 483 D N -0.404 119.879 120.400 -0.196 0.000 2.158 483 D HA -0.209 4.430 4.640 -0.000 0.000 0.197 483 D C 2.237 178.452 176.300 -0.143 0.000 0.995 483 D CA 1.294 55.209 54.000 -0.142 0.000 0.846 483 D CB -0.241 40.492 40.800 -0.111 0.000 0.941 483 D HN 0.521 nan 8.370 nan 0.000 0.456 484 Q N -0.619 119.078 119.800 -0.171 0.000 2.515 484 Q HA 0.076 4.416 4.340 -0.000 0.000 0.212 484 Q C 0.472 176.332 176.000 -0.233 0.000 0.970 484 Q CA 0.237 55.929 55.803 -0.185 0.000 0.941 484 Q CB 0.142 28.756 28.738 -0.207 0.000 0.998 484 Q HN 0.329 nan 8.270 nan 0.000 0.518 485 M N -0.827 118.647 119.600 -0.211 0.000 2.314 485 M HA 0.299 4.778 4.480 -0.000 0.000 0.342 485 M C 1.066 177.342 176.300 -0.039 0.000 1.171 485 M CA -0.398 54.792 55.300 -0.184 0.000 1.098 485 M CB 1.216 33.701 32.600 -0.191 0.000 1.559 485 M HN 0.035 nan 8.290 nan 0.000 0.459 486 A N 3.610 126.454 122.820 0.040 0.000 1.927 486 A HA -0.040 4.280 4.320 -0.000 0.000 0.220 486 A C 0.706 178.490 177.584 0.334 0.000 1.185 486 A CA 1.645 53.820 52.037 0.230 0.000 0.639 486 A CB -0.500 18.613 19.000 0.188 0.000 0.820 486 A HN 0.808 nan 8.150 nan 0.000 0.451 487 L N -5.725 115.628 121.223 0.217 0.000 2.556 487 L HA 0.657 4.997 4.340 -0.000 0.000 0.257 487 L C -3.378 173.552 176.870 0.101 0.000 0.955 487 L CA -2.317 52.638 54.840 0.192 0.000 0.850 487 L CB 1.616 43.832 42.059 0.262 0.000 1.398 487 L HN -0.223 nan 8.230 nan 0.000 0.412 488 P HA 0.244 nan 4.420 nan 0.000 0.269 488 P C -2.547 174.842 177.300 0.149 0.000 1.209 488 P CA -0.737 62.390 63.100 0.045 0.000 0.776 488 P CB -0.134 31.648 31.700 0.137 0.000 0.876 489 P HA -0.014 nan 4.420 nan 0.000 0.268 489 P C 0.038 177.496 177.300 0.263 0.000 1.205 489 P CA 0.113 63.242 63.100 0.048 0.000 0.771 489 P CB 0.609 32.152 31.700 -0.261 0.000 0.858 490 C N 1.267 120.677 119.300 0.183 0.000 2.504 490 C HA 0.023 4.482 4.460 -0.000 0.000 0.279 490 C C 1.186 176.297 174.990 0.202 0.000 1.358 490 C CA 0.349 59.435 59.018 0.113 0.000 1.747 490 C CB -1.580 26.142 27.740 -0.030 0.000 2.037 490 C HN 0.626 nan 8.230 nan 0.000 0.503 491 H N 0.807 120.144 119.070 0.445 0.000 2.787 491 H HA 0.207 4.762 4.556 -0.001 0.000 0.275 491 H C 0.996 176.575 175.328 0.419 0.000 1.183 491 H CA -0.763 55.490 56.048 0.341 0.000 1.290 491 H CB 0.447 30.394 29.762 0.309 0.000 1.438 491 H HN 0.115 nan 8.280 nan 0.000 0.487 492 I N 2.362 123.185 120.570 0.422 0.000 2.142 492 I HA -0.167 4.003 4.170 -0.000 0.000 0.240 492 I C 0.766 177.102 176.117 0.364 0.000 1.078 492 I CA 1.319 62.843 61.300 0.374 0.000 1.343 492 I CB -0.674 37.483 38.000 0.263 0.000 1.046 492 I HN 0.443 nan 8.210 nan 0.000 0.405 493 L N -3.044 118.357 121.223 0.297 0.000 2.801 493 L HA 0.597 4.936 4.340 -0.000 0.000 0.264 493 L C -1.258 175.697 176.870 0.142 0.000 1.086 493 L CA -1.118 53.861 54.840 0.233 0.000 0.920 493 L CB 1.825 43.977 42.059 0.155 0.000 1.529 493 L HN -0.215 nan 8.230 nan 0.000 0.399 494 C N 0.604 119.955 119.300 0.085 0.000 2.446 494 C HA 0.743 5.203 4.460 -0.000 0.000 0.329 494 C C -0.514 174.341 174.990 -0.225 0.000 1.166 494 C CA -0.289 58.683 59.018 -0.076 0.000 1.341 494 C CB 1.223 28.962 27.740 -0.001 0.000 1.970 494 C HN 0.845 nan 8.230 nan 0.000 0.452 495 Q N 2.176 121.805 119.800 -0.286 0.000 2.312 495 Q HA 0.728 5.067 4.340 -0.000 0.000 0.263 495 Q C -1.597 174.180 176.000 -0.372 0.000 0.995 495 Q CA -0.303 55.379 55.803 -0.203 0.000 0.853 495 Q CB 1.066 29.770 28.738 -0.057 0.000 1.300 495 Q HN 0.628 nan 8.270 nan 0.000 0.448 496 F N 2.167 122.181 119.950 0.107 0.000 2.470 496 F HA 0.478 5.004 4.527 -0.001 0.000 0.329 496 F C -0.786 175.121 175.800 0.179 0.000 1.072 496 F CA -0.627 57.446 58.000 0.122 0.000 0.989 496 F CB 1.327 40.363 39.000 0.060 0.000 1.193 496 F HN 0.506 nan 8.300 nan 0.000 0.481 497 Y N 1.332 121.771 120.300 0.230 0.000 2.457 497 Y HA 0.726 5.275 4.550 -0.001 0.000 0.343 497 Y C -1.729 174.262 175.900 0.152 0.000 0.994 497 Y CA -1.143 57.044 58.100 0.146 0.000 1.031 497 Y CB 1.680 40.197 38.460 0.095 0.000 1.246 497 Y HN 0.330 nan 8.280 nan 0.000 0.449 498 V N 7.124 126.822 119.914 -0.361 0.000 2.531 498 V HA 0.526 4.646 4.120 -0.000 0.000 0.301 498 V C -1.385 174.528 176.094 -0.301 0.000 1.034 498 V CA -0.876 61.289 62.300 -0.225 0.000 0.865 498 V CB 1.547 33.294 31.823 -0.126 0.000 0.995 498 V HN 0.631 nan 8.190 nan 0.000 0.424 499 F N 3.339 123.129 119.950 -0.268 0.000 2.596 499 F HA 0.559 5.087 4.527 0.000 0.000 0.311 499 F C 0.162 175.924 175.800 -0.064 0.000 1.116 499 F CA -0.650 57.244 58.000 -0.177 0.000 0.957 499 F CB 1.834 40.772 39.000 -0.103 0.000 1.250 499 F HN 0.664 nan 8.300 nan 0.000 0.444 500 D N 4.184 123.873 120.400 -1.186 0.000 2.702 500 D HA -0.150 4.490 4.640 -0.000 0.000 0.233 500 D C 1.029 177.126 176.300 -0.337 0.000 1.164 500 D CA 2.223 55.728 54.000 -0.824 0.000 0.638 500 D CB -1.013 39.255 40.800 -0.888 0.000 1.041 500 D HN 1.577 nan 8.370 nan 0.000 0.422 501 G N -0.275 108.376 108.800 -0.249 0.000 2.153 501 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.252 501 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.252 501 G C 0.251 175.100 174.900 -0.086 0.000 0.994 501 G CA 0.728 45.743 45.100 -0.141 0.000 0.698 501 G HN 0.601 nan 8.290 nan 0.000 0.521 502 K N -0.825 119.541 120.400 -0.057 0.000 2.324 502 K HA 0.692 5.012 4.320 -0.000 0.000 0.253 502 K C -0.810 175.820 176.600 0.050 0.000 0.932 502 K CA -1.069 55.224 56.287 0.009 0.000 0.799 502 K CB 2.257 34.793 32.500 0.060 0.000 1.154 502 K HN 0.082 nan 8.250 nan 0.000 0.425 503 L N 1.594 122.848 121.223 0.052 0.000 2.296 503 L HA 0.424 4.764 4.340 -0.000 0.000 0.286 503 L C -0.910 176.070 176.870 0.183 0.000 1.023 503 L CA 0.234 55.138 54.840 0.107 0.000 0.812 503 L CB 1.660 43.744 42.059 0.042 0.000 1.223 503 L HN 0.512 nan 8.230 nan 0.000 0.421 504 S N 3.246 119.116 115.700 0.283 0.000 2.607 504 S HA 0.728 5.198 4.470 -0.000 0.000 0.303 504 S C -1.399 173.381 174.600 0.300 0.000 1.086 504 S CA -0.571 57.792 58.200 0.272 0.000 0.995 504 S CB 1.597 64.951 63.200 0.257 0.000 1.084 504 S HN 0.818 nan 8.310 nan 0.000 0.507 505 C N 3.516 122.954 119.300 0.230 0.000 2.608 505 C HA 0.683 5.143 4.460 -0.000 0.000 0.325 505 C C -1.243 173.779 174.990 0.053 0.000 1.147 505 C CA -0.680 58.391 59.018 0.089 0.000 1.359 505 C CB -0.689 27.158 27.740 0.180 0.000 1.912 505 C HN 0.871 nan 8.230 nan 0.000 0.466 506 I N 6.464 126.978 120.570 -0.092 0.000 2.412 506 I HA 0.520 4.690 4.170 -0.000 0.000 0.296 506 I C -0.126 175.954 176.117 -0.063 0.000 0.987 506 I CA -0.294 60.949 61.300 -0.095 0.000 1.180 506 I CB 1.725 39.672 38.000 -0.088 0.000 1.340 506 I HN 0.562 nan 8.210 nan 0.000 0.455 507 M N 7.647 127.219 119.600 -0.046 0.000 2.204 507 M HA 0.310 4.790 4.480 -0.000 0.000 0.293 507 M C -2.040 174.265 176.300 0.008 0.000 0.994 507 M CA -0.633 54.633 55.300 -0.057 0.000 0.925 507 M CB 1.690 34.159 32.600 -0.219 0.000 1.577 507 M HN 0.542 nan 8.290 nan 0.000 0.439 508 Y N 3.997 124.280 120.300 -0.028 0.000 2.341 508 Y HA 0.405 4.955 4.550 -0.000 0.000 0.340 508 Y C -0.613 175.337 175.900 0.084 0.000 0.997 508 Y CA 0.073 58.185 58.100 0.019 0.000 1.149 508 Y CB 0.892 39.343 38.460 -0.015 0.000 1.171 508 Y HN 0.705 nan 8.280 nan 0.000 0.494 509 Q N 6.743 126.343 119.800 -0.335 0.000 2.348 509 Q HA 0.253 4.593 4.340 -0.000 0.000 0.265 509 Q C 0.864 176.709 176.000 -0.259 0.000 0.998 509 Q CA -0.704 55.067 55.803 -0.052 0.000 0.831 509 Q CB 0.980 29.840 28.738 0.204 0.000 1.251 509 Q HN 0.980 nan 8.270 nan 0.000 0.456 510 R N 1.406 121.915 120.500 0.015 0.000 2.115 510 R HA 0.069 4.408 4.340 -0.000 0.000 0.230 510 R C 0.311 176.683 176.300 0.120 0.000 1.111 510 R CA 0.755 56.914 56.100 0.099 0.000 0.976 510 R CB 0.245 30.606 30.300 0.102 0.000 0.870 510 R HN 0.283 nan 8.270 nan 0.000 0.445 511 S N -0.226 115.561 115.700 0.145 0.000 2.614 511 S HA 0.507 4.976 4.470 -0.000 0.000 0.288 511 S C -1.434 173.262 174.600 0.160 0.000 1.137 511 S CA -0.878 57.450 58.200 0.213 0.000 0.992 511 S CB 1.512 64.868 63.200 0.260 0.000 1.026 511 S HN 0.372 nan 8.310 nan 0.000 0.486 512 C N 3.622 122.930 119.300 0.013 0.000 2.381 512 C HA 0.525 4.985 4.460 -0.000 0.000 0.328 512 C C -0.451 174.249 174.990 -0.484 0.000 1.190 512 C CA -1.161 57.792 59.018 -0.108 0.000 1.369 512 C CB 0.522 28.221 27.740 -0.069 0.000 2.029 512 C HN 0.885 nan 8.230 nan 0.000 0.448 513 D N 2.901 123.196 120.400 -0.176 0.000 2.468 513 D HA 0.186 4.826 4.640 -0.000 0.000 0.218 513 D C 1.159 177.491 176.300 0.053 0.000 1.155 513 D CA -0.451 53.497 54.000 -0.087 0.000 0.924 513 D CB 0.465 41.444 40.800 0.299 0.000 1.029 513 D HN 0.343 nan 8.370 nan 0.000 0.515 514 L N 3.261 124.461 121.223 -0.038 0.000 2.081 514 L HA -0.084 4.256 4.340 -0.000 0.000 0.212 514 L C 2.200 179.189 176.870 0.199 0.000 1.080 514 L CA 1.932 56.810 54.840 0.064 0.000 0.754 514 L CB -1.416 40.589 42.059 -0.090 0.000 0.893 514 L HN 0.561 nan 8.230 nan 0.000 0.433 515 G N -1.060 107.871 108.800 0.218 0.000 2.421 515 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 515 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 515 G C 1.708 176.664 174.900 0.092 0.000 1.171 515 G CA 0.675 45.873 45.100 0.163 0.000 0.775 515 G HN 0.348 nan 8.290 nan 0.000 0.543 516 L N -0.843 120.499 121.223 0.199 0.000 2.586 516 L HA 0.293 4.632 4.340 -0.000 0.000 0.204 516 L C 2.974 180.038 176.870 0.324 0.000 1.053 516 L CA 0.609 55.581 54.840 0.220 0.000 0.856 516 L CB -0.318 41.882 42.059 0.235 0.000 1.192 516 L HN 0.269 nan 8.230 nan 0.000 0.484 517 G N 0.363 109.345 108.800 0.303 0.000 2.524 517 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.215 517 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.215 517 G C 1.522 176.613 174.900 0.318 0.000 1.239 517 G CA 1.081 46.372 45.100 0.318 0.000 0.798 517 G HN 0.059 nan 8.290 nan 0.000 0.557 518 V N 2.517 122.591 119.914 0.266 0.000 2.277 518 V HA -0.216 3.904 4.120 -0.000 0.000 0.255 518 V C 0.447 176.627 176.094 0.143 0.000 1.074 518 V CA 2.675 65.137 62.300 0.271 0.000 1.058 518 V CB -1.387 30.601 31.823 0.275 0.000 0.656 518 V HN 0.330 nan 8.190 nan 0.000 0.449 519 P HA -0.144 nan 4.420 nan 0.000 0.216 519 P C 1.555 178.681 177.300 -0.290 0.000 1.150 519 P CA 1.596 64.489 63.100 -0.344 0.000 0.843 519 P CB -0.129 31.276 31.700 -0.491 0.000 0.787 520 F N -0.561 119.373 119.950 -0.026 0.000 2.234 520 F HA -0.059 4.467 4.527 -0.001 0.000 0.296 520 F C 1.989 177.787 175.800 -0.003 0.000 1.089 520 F CA 1.277 59.265 58.000 -0.019 0.000 1.343 520 F CB -1.348 37.660 39.000 0.013 0.000 1.040 520 F HN -0.053 nan 8.300 nan 0.000 0.498 521 N N 0.572 119.418 118.700 0.242 0.000 2.084 521 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 521 N C 1.910 177.465 175.510 0.076 0.000 1.030 521 N CA 1.337 54.488 53.050 0.169 0.000 0.849 521 N CB -0.276 38.347 38.487 0.226 0.000 1.012 521 N HN 0.171 nan 8.380 nan 0.000 0.423 522 I N 1.298 121.921 120.570 0.089 0.000 2.208 522 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 522 I C 2.522 178.475 176.117 -0.273 0.000 1.097 522 I CA 1.000 62.322 61.300 0.036 0.000 1.363 522 I CB -0.371 37.599 38.000 -0.049 0.000 1.051 522 I HN 0.206 nan 8.210 nan 0.000 0.413 523 A N -0.081 122.592 122.820 -0.246 0.000 1.873 523 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 523 A C 2.480 180.014 177.584 -0.083 0.000 1.186 523 A CA 2.006 53.909 52.037 -0.222 0.000 0.616 523 A CB -0.769 18.174 19.000 -0.095 0.000 0.823 523 A HN 0.360 nan 8.150 nan 0.000 0.442 524 S N -0.995 114.661 115.700 -0.073 0.000 2.365 524 S HA -0.218 4.252 4.470 -0.000 0.000 0.221 524 S C 1.802 176.225 174.600 -0.295 0.000 1.037 524 S CA 1.980 60.083 58.200 -0.162 0.000 1.060 524 S CB -0.678 62.417 63.200 -0.174 0.000 0.974 524 S HN 0.653 nan 8.310 nan 0.000 0.427 525 Y N 1.711 121.837 120.300 -0.289 0.000 2.497 525 Y HA 0.006 4.556 4.550 -0.000 0.000 0.292 525 Y C 2.738 178.337 175.900 -0.502 0.000 1.137 525 Y CA 0.570 58.455 58.100 -0.359 0.000 1.285 525 Y CB -0.382 37.769 38.460 -0.515 0.000 0.991 525 Y HN 0.172 nan 8.280 nan 0.000 0.556 526 S N -0.135 115.286 115.700 -0.465 0.000 2.377 526 S HA -0.098 4.372 4.470 -0.000 0.000 0.223 526 S C 2.029 176.757 174.600 0.212 0.000 1.030 526 S CA 0.974 59.072 58.200 -0.171 0.000 0.970 526 S CB -0.297 62.789 63.200 -0.190 0.000 0.830 526 S HN 0.376 nan 8.310 nan 0.000 0.473 527 I N 0.503 121.185 120.570 0.187 0.000 2.226 527 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 527 I C 2.108 178.343 176.117 0.195 0.000 1.100 527 I CA 1.164 62.555 61.300 0.151 0.000 1.374 527 I CB -0.305 37.711 38.000 0.027 0.000 1.057 527 I HN 0.221 nan 8.210 nan 0.000 0.413 528 F N 1.784 121.721 119.950 -0.020 0.000 2.171 528 F HA -0.221 4.306 4.527 -0.001 0.000 0.300 528 F C 2.535 178.401 175.800 0.110 0.000 1.090 528 F CA 1.811 59.821 58.000 0.016 0.000 1.293 528 F CB -0.717 38.262 39.000 -0.036 0.000 1.013 528 F HN -0.033 nan 8.300 nan 0.000 0.486 529 T N -0.744 113.915 114.554 0.175 0.000 2.708 529 T HA -0.202 4.148 4.350 -0.000 0.000 0.266 529 T C 1.913 176.624 174.700 0.019 0.000 1.037 529 T CA 1.674 63.849 62.100 0.125 0.000 1.146 529 T CB -0.572 68.427 68.868 0.219 0.000 0.865 529 T HN 0.415 nan 8.240 nan 0.000 0.435 530 H N 0.613 119.688 119.070 0.008 0.000 2.319 530 H HA -0.024 4.532 4.556 -0.000 0.000 0.299 530 H C 2.442 177.722 175.328 -0.080 0.000 1.092 530 H CA 1.544 57.581 56.048 -0.018 0.000 1.302 530 H CB -0.211 29.546 29.762 -0.009 0.000 1.373 530 H HN 0.355 nan 8.280 nan 0.000 0.497 531 M N -0.046 119.542 119.600 -0.020 0.000 2.059 531 M HA -0.183 4.297 4.480 -0.000 0.000 0.259 531 M C 2.434 178.663 176.300 -0.118 0.000 1.072 531 M CA 1.310 56.505 55.300 -0.174 0.000 1.117 531 M CB -0.147 32.273 32.600 -0.300 0.000 1.320 531 M HN 0.149 nan 8.290 nan 0.000 0.408 532 I N 0.599 120.979 120.570 -0.318 0.000 2.208 532 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 532 I C 2.739 178.714 176.117 -0.237 0.000 1.097 532 I CA 1.685 62.754 61.300 -0.386 0.000 1.363 532 I CB -1.669 35.894 38.000 -0.729 0.000 1.051 532 I HN 0.268 nan 8.210 nan 0.000 0.413 533 A N 0.178 122.891 122.820 -0.178 0.000 1.883 533 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 533 A C 2.372 179.914 177.584 -0.071 0.000 1.186 533 A CA 2.111 54.076 52.037 -0.120 0.000 0.624 533 A CB -0.836 18.098 19.000 -0.109 0.000 0.822 533 A HN 0.536 nan 8.150 nan 0.000 0.444 534 Q N -0.058 119.731 119.800 -0.017 0.000 2.020 534 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 534 Q C 1.914 177.923 176.000 0.016 0.000 0.982 534 Q CA 2.679 58.499 55.803 0.029 0.000 0.838 534 Q CB -0.381 28.430 28.738 0.121 0.000 0.899 534 Q HN 0.701 nan 8.270 nan 0.000 0.423 535 V N -2.048 117.891 119.914 0.042 0.000 3.241 535 V HA -0.106 4.014 4.120 -0.000 0.000 0.269 535 V C 1.469 177.537 176.094 -0.044 0.000 1.151 535 V CA 1.172 63.475 62.300 0.004 0.000 1.158 535 V CB -0.560 31.291 31.823 0.045 0.000 0.764 535 V HN 0.441 nan 8.190 nan 0.000 0.508 536 C N 1.013 120.274 119.300 -0.065 0.000 3.104 536 C HA 0.402 4.862 4.460 -0.000 0.000 0.284 536 C C 1.009 175.955 174.990 -0.072 0.000 1.326 536 C CA -0.342 58.625 59.018 -0.086 0.000 1.725 536 C CB -1.798 25.864 27.740 -0.129 0.000 2.156 536 C HN 0.810 nan 8.230 nan 0.000 0.638 537 N N 1.295 119.961 118.700 -0.056 0.000 2.738 537 N HA -0.144 4.596 4.740 -0.000 0.000 0.249 537 N C -0.745 174.731 175.510 -0.057 0.000 1.047 537 N CA 0.917 53.937 53.050 -0.050 0.000 0.707 537 N CB -1.301 37.157 38.487 -0.050 0.000 0.937 537 N HN 0.525 nan 8.380 nan 0.000 0.545 538 L N -0.469 120.718 121.223 -0.059 0.000 2.341 538 L HA 0.458 4.797 4.340 -0.000 0.000 0.254 538 L C -0.030 176.806 176.870 -0.057 0.000 1.040 538 L CA -0.964 53.839 54.840 -0.062 0.000 0.837 538 L CB 1.467 43.484 42.059 -0.070 0.000 1.425 538 L HN -0.149 nan 8.230 nan 0.000 0.414 539 Q N 2.022 121.790 119.800 -0.053 0.000 2.256 539 Q HA 0.418 4.757 4.340 -0.000 0.000 0.257 539 Q C -2.457 173.498 176.000 -0.076 0.000 0.936 539 Q CA -2.140 53.628 55.803 -0.059 0.000 0.903 539 Q CB 1.557 30.273 28.738 -0.036 0.000 1.263 539 Q HN 0.201 nan 8.270 nan 0.000 0.440 540 P HA 0.121 nan 4.420 nan 0.000 0.271 540 P C -0.825 176.428 177.300 -0.078 0.000 1.216 540 P CA 0.219 63.214 63.100 -0.175 0.000 0.776 540 P CB 1.265 32.659 31.700 -0.509 0.000 0.881 541 A N 4.016 126.840 122.820 0.008 0.000 3.078 541 A HA 0.255 4.575 4.320 -0.000 0.000 0.206 541 A C 0.345 177.967 177.584 0.064 0.000 1.967 541 A CA 0.097 52.162 52.037 0.047 0.000 1.845 541 A CB -0.232 18.832 19.000 0.107 0.000 1.345 541 A HN 0.562 nan 8.150 nan 0.000 0.393 542 Q N -0.668 119.194 119.800 0.103 0.000 2.230 542 Q HA 0.490 4.829 4.340 -0.000 0.000 0.253 542 Q C -1.828 174.298 176.000 0.210 0.000 0.919 542 Q CA -0.430 55.443 55.803 0.115 0.000 0.908 542 Q CB 1.930 30.697 28.738 0.048 0.000 1.245 542 Q HN 0.485 nan 8.270 nan 0.000 0.437 543 F N 3.699 123.721 119.950 0.121 0.000 2.347 543 F HA 0.464 4.991 4.527 -0.000 0.000 0.366 543 F C -1.372 174.518 175.800 0.150 0.000 1.107 543 F CA -1.097 56.997 58.000 0.156 0.000 1.058 543 F CB 0.366 39.496 39.000 0.215 0.000 1.236 543 F HN 0.372 nan 8.300 nan 0.000 0.456 544 I N 6.301 126.572 120.570 -0.498 0.000 2.315 544 I HA 0.226 4.395 4.170 -0.000 0.000 0.291 544 I C -0.381 175.300 176.117 -0.727 0.000 1.006 544 I CA -0.287 60.703 61.300 -0.517 0.000 1.265 544 I CB 1.006 38.853 38.000 -0.254 0.000 1.387 544 I HN 0.598 nan 8.210 nan 0.000 0.475 545 H N 5.963 124.585 119.070 -0.746 0.000 2.541 545 H HA 0.567 5.122 4.556 -0.001 0.000 0.316 545 H C -1.273 173.906 175.328 -0.248 0.000 1.043 545 H CA -0.855 54.896 56.048 -0.495 0.000 1.232 545 H CB 1.138 30.739 29.762 -0.267 0.000 1.406 545 H HN 0.331 nan 8.280 nan 0.000 0.469 546 V N 7.735 127.677 119.914 0.047 0.000 2.370 546 V HA 0.186 4.306 4.120 -0.000 0.000 0.283 546 V C -0.032 175.909 176.094 -0.254 0.000 1.023 546 V CA -0.663 61.573 62.300 -0.107 0.000 0.857 546 V CB 1.216 33.011 31.823 -0.047 0.000 0.985 546 V HN 0.621 nan 8.190 nan 0.000 0.443 547 L N 4.248 125.309 121.223 -0.271 0.000 2.295 547 L HA 0.629 4.969 4.340 -0.000 0.000 0.285 547 L C 1.230 177.912 176.870 -0.314 0.000 1.035 547 L CA -0.188 54.489 54.840 -0.273 0.000 0.806 547 L CB 1.317 43.289 42.059 -0.144 0.000 1.214 547 L HN 0.716 nan 8.230 nan 0.000 0.426 548 G N 1.797 110.393 108.800 -0.339 0.000 2.549 548 G HA2 -0.096 3.863 3.960 -0.000 0.000 0.219 548 G HA3 -0.096 3.863 3.960 -0.000 0.000 0.219 548 G C 0.363 175.324 174.900 0.102 0.000 1.677 548 G CA -0.078 44.874 45.100 -0.245 0.000 0.929 548 G HN 0.592 nan 8.290 nan 0.000 0.549 549 N N 1.881 120.781 118.700 0.334 0.000 2.439 549 N HA 0.417 5.156 4.740 -0.000 0.000 0.243 549 N C -0.614 175.059 175.510 0.270 0.000 1.088 549 N CA -0.163 53.133 53.050 0.410 0.000 0.940 549 N CB 0.856 39.534 38.487 0.319 0.000 1.180 549 N HN 0.296 nan 8.380 nan 0.000 0.505 550 A N 4.725 127.684 122.820 0.232 0.000 2.260 550 A HA 0.400 4.720 4.320 -0.000 0.000 0.308 550 A C -0.461 177.172 177.584 0.081 0.000 1.254 550 A CA -0.592 51.495 52.037 0.085 0.000 0.874 550 A CB 0.285 19.406 19.000 0.201 0.000 1.153 550 A HN 0.841 nan 8.150 nan 0.000 0.527 551 H N 0.079 119.132 119.070 -0.029 0.000 2.895 551 H HA 0.704 5.260 4.556 -0.001 0.000 0.373 551 H C -1.843 173.391 175.328 -0.157 0.000 1.174 551 H CA -1.114 54.864 56.048 -0.116 0.000 1.144 551 H CB 1.249 30.880 29.762 -0.218 0.000 1.793 551 H HN 0.261 nan 8.280 nan 0.000 0.551 552 V N 2.931 122.831 119.914 -0.022 0.000 2.409 552 V HA 0.130 4.250 4.120 -0.000 0.000 0.291 552 V C -0.777 175.316 176.094 -0.002 0.000 1.020 552 V CA -0.713 61.592 62.300 0.009 0.000 0.848 552 V CB 0.783 32.623 31.823 0.028 0.000 0.990 552 V HN 0.586 nan 8.190 nan 0.000 0.430 553 Y N 4.100 124.471 120.300 0.117 0.000 2.425 553 Y HA 0.138 4.688 4.550 -0.000 0.000 0.331 553 Y C 1.842 177.717 175.900 -0.042 0.000 1.157 553 Y CA -0.112 57.963 58.100 -0.042 0.000 1.372 553 Y CB 0.477 38.749 38.460 -0.312 0.000 1.253 553 Y HN 0.598 nan 8.280 nan 0.000 0.536 554 N N 2.163 120.945 118.700 0.136 0.000 2.094 554 N HA -0.230 4.510 4.740 -0.000 0.000 0.191 554 N C 1.144 176.706 175.510 0.087 0.000 1.023 554 N CA 1.569 54.674 53.050 0.092 0.000 0.857 554 N CB -0.355 38.172 38.487 0.066 0.000 1.013 554 N HN 0.722 nan 8.380 nan 0.000 0.426 555 N N 0.176 118.900 118.700 0.039 0.000 2.567 555 N HA -0.114 4.626 4.740 -0.000 0.000 0.195 555 N C 0.463 176.081 175.510 0.180 0.000 1.242 555 N CA 0.573 53.652 53.050 0.049 0.000 0.884 555 N CB -0.445 38.031 38.487 -0.019 0.000 1.007 555 N HN 0.536 nan 8.380 nan 0.000 0.450 556 H N -0.659 118.486 119.070 0.125 0.000 3.058 556 H HA 0.333 4.889 4.556 -0.001 0.000 0.258 556 H C 1.732 177.119 175.328 0.098 0.000 1.015 556 H CA -0.440 55.680 56.048 0.120 0.000 1.210 556 H CB 0.750 30.613 29.762 0.167 0.000 1.481 556 H HN 0.049 nan 8.280 nan 0.000 0.492 557 I N 1.322 122.020 120.570 0.213 0.000 2.236 557 I HA -0.302 3.868 4.170 -0.000 0.000 0.249 557 I C 1.530 177.718 176.117 0.118 0.000 1.102 557 I CA 1.323 62.712 61.300 0.148 0.000 1.365 557 I CB -0.107 37.962 38.000 0.115 0.000 1.051 557 I HN 0.330 nan 8.210 nan 0.000 0.420 558 D N 0.326 120.787 120.400 0.101 0.000 2.123 558 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 558 D C 2.398 178.734 176.300 0.060 0.000 0.976 558 D CA 1.133 55.171 54.000 0.063 0.000 0.831 558 D CB -0.036 40.793 40.800 0.048 0.000 0.974 558 D HN 0.179 nan 8.370 nan 0.000 0.469 559 S N 0.612 116.356 115.700 0.074 0.000 2.368 559 S HA -0.059 4.410 4.470 -0.000 0.000 0.225 559 S C 2.220 176.852 174.600 0.054 0.000 1.030 559 S CA 0.523 58.755 58.200 0.053 0.000 0.999 559 S CB -0.174 63.048 63.200 0.038 0.000 0.844 559 S HN 0.227 nan 8.310 nan 0.000 0.459 560 L N 1.033 122.301 121.223 0.075 0.000 2.141 560 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 560 L C 2.384 179.326 176.870 0.120 0.000 1.094 560 L CA 1.093 55.980 54.840 0.079 0.000 0.763 560 L CB -0.410 41.696 42.059 0.078 0.000 0.908 560 L HN 0.235 nan 8.230 nan 0.000 0.437 561 K N 0.286 120.770 120.400 0.141 0.000 2.057 561 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 561 K C 2.069 178.721 176.600 0.087 0.000 1.049 561 K CA 1.275 57.660 56.287 0.165 0.000 0.931 561 K CB -0.137 32.348 32.500 -0.026 0.000 0.714 561 K HN 0.264 nan 8.250 nan 0.000 0.440 562 I N 0.893 121.488 120.570 0.042 0.000 2.315 562 I HA -0.281 3.888 4.170 -0.000 0.000 0.248 562 I C 2.701 178.824 176.117 0.010 0.000 1.117 562 I CA 1.173 62.485 61.300 0.019 0.000 1.404 562 I CB -0.181 37.828 38.000 0.015 0.000 1.071 562 I HN 0.280 nan 8.210 nan 0.000 0.419 563 Q N 0.635 120.444 119.800 0.015 0.000 2.046 563 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 563 Q C 2.155 178.139 176.000 -0.028 0.000 0.975 563 Q CA 1.425 57.213 55.803 -0.025 0.000 0.836 563 Q CB 0.046 28.789 28.738 0.008 0.000 0.896 563 Q HN 0.334 nan 8.270 nan 0.000 0.428 564 L N 1.294 122.535 121.223 0.031 0.000 2.549 564 L HA -0.131 4.208 4.340 -0.000 0.000 0.230 564 L C 1.175 178.142 176.870 0.162 0.000 1.162 564 L CA 1.142 56.005 54.840 0.039 0.000 0.834 564 L CB -0.200 41.785 42.059 -0.123 0.000 0.947 564 L HN 0.205 nan 8.230 nan 0.000 0.452 565 N N -0.603 118.159 118.700 0.104 0.000 2.230 565 N HA 0.119 4.858 4.740 -0.000 0.000 0.202 565 N C 0.110 175.615 175.510 -0.008 0.000 1.119 565 N CA 0.083 53.193 53.050 0.099 0.000 0.851 565 N CB 0.522 39.061 38.487 0.087 0.000 0.990 565 N HN 0.290 nan 8.380 nan 0.000 0.497 566 R N 0.551 120.977 120.500 -0.123 0.000 2.407 566 R HA 0.465 4.805 4.340 -0.000 0.000 0.303 566 R C -0.007 176.119 176.300 -0.290 0.000 0.981 566 R CA -0.482 55.415 56.100 -0.338 0.000 0.905 566 R CB 1.805 31.637 30.300 -0.778 0.000 1.099 566 R HN -0.041 nan 8.270 nan 0.000 0.459 567 I N 4.531 124.970 120.570 -0.217 0.000 2.365 567 I HA 0.232 4.401 4.170 -0.000 0.000 0.291 567 I C -1.981 173.907 176.117 -0.381 0.000 1.004 567 I CA -2.296 58.881 61.300 -0.206 0.000 1.311 567 I CB 1.349 39.263 38.000 -0.144 0.000 1.401 567 I HN 0.238 nan 8.210 nan 0.000 0.491 568 P HA 0.094 nan 4.420 nan 0.000 0.272 568 P C -1.297 175.657 177.300 -0.576 0.000 1.223 568 P CA 0.113 62.805 63.100 -0.681 0.000 0.784 568 P CB 0.360 31.333 31.700 -1.212 0.000 0.923 569 Y N 1.229 121.407 120.300 -0.203 0.000 2.453 569 Y HA 0.370 4.920 4.550 -0.000 0.000 0.326 569 Y C -1.721 174.150 175.900 -0.049 0.000 1.186 569 Y CA -2.730 55.314 58.100 -0.093 0.000 1.200 569 Y CB 0.052 38.478 38.460 -0.058 0.000 1.247 569 Y HN 0.292 nan 8.280 nan 0.000 0.482 570 P HA -0.041 nan 4.420 nan 0.000 0.263 570 P C -0.516 176.856 177.300 0.121 0.000 1.195 570 P CA 0.224 63.324 63.100 -0.001 0.000 0.762 570 P CB 0.162 31.804 31.700 -0.096 0.000 0.799 571 F N 5.311 125.324 119.950 0.104 0.000 2.657 571 F HA 0.031 4.558 4.527 -0.001 0.000 0.347 571 F C -0.943 174.965 175.800 0.178 0.000 1.180 571 F CA -0.887 57.194 58.000 0.135 0.000 1.383 571 F CB -1.031 37.995 39.000 0.044 0.000 1.077 571 F HN 0.358 nan 8.300 nan 0.000 0.622 572 P HA 0.312 nan 4.420 nan 0.000 0.310 572 P C -0.839 176.630 177.300 0.283 0.000 1.309 572 P CA -0.270 63.021 63.100 0.318 0.000 0.769 572 P CB 1.454 33.346 31.700 0.320 0.000 1.327 573 T N -2.975 111.678 114.554 0.165 0.000 2.926 573 T HA 0.650 4.999 4.350 -0.000 0.000 0.289 573 T C -0.884 173.763 174.700 -0.090 0.000 1.054 573 T CA -0.784 61.381 62.100 0.107 0.000 1.015 573 T CB 0.997 69.919 68.868 0.091 0.000 1.167 573 T HN 0.299 nan 8.240 nan 0.000 0.526 574 L N 0.900 122.005 121.223 -0.197 0.000 2.356 574 L HA 0.737 5.076 4.340 -0.000 0.000 0.277 574 L C -1.237 175.490 176.870 -0.239 0.000 0.996 574 L CA -0.540 54.044 54.840 -0.427 0.000 0.822 574 L CB 1.507 43.022 42.059 -0.907 0.000 1.256 574 L HN 0.567 nan 8.230 nan 0.000 0.413 575 K N 6.309 126.603 120.400 -0.177 0.000 2.413 575 K HA 0.554 4.874 4.320 -0.000 0.000 0.257 575 K C -1.144 175.383 176.600 -0.122 0.000 0.946 575 K CA -0.327 55.901 56.287 -0.099 0.000 0.823 575 K CB 1.922 34.389 32.500 -0.054 0.000 1.109 575 K HN 0.630 nan 8.250 nan 0.000 0.427 576 L N 1.781 122.939 121.223 -0.108 0.000 2.334 576 L HA 0.350 4.690 4.340 -0.000 0.000 0.275 576 L C 0.817 177.641 176.870 -0.077 0.000 1.036 576 L CA -1.040 53.705 54.840 -0.158 0.000 0.807 576 L CB 0.986 42.983 42.059 -0.103 0.000 1.231 576 L HN 0.536 nan 8.230 nan 0.000 0.438 577 N N 3.958 122.603 118.700 -0.090 0.000 2.411 577 N HA 0.006 4.746 4.740 -0.000 0.000 0.265 577 N C -1.702 173.778 175.510 -0.050 0.000 1.266 577 N CA -1.059 51.951 53.050 -0.066 0.000 0.889 577 N CB 1.208 39.644 38.487 -0.085 0.000 1.069 577 N HN 0.366 nan 8.380 nan 0.000 0.476 578 P HA -0.029 nan 4.420 nan 0.000 0.229 578 P C 0.151 177.412 177.300 -0.065 0.000 1.160 578 P CA 0.707 63.785 63.100 -0.036 0.000 0.777 578 P CB 0.526 32.212 31.700 -0.024 0.000 0.814 579 D N 0.194 120.543 120.400 -0.085 0.000 2.183 579 D HA -0.021 4.619 4.640 -0.000 0.000 0.203 579 D C 1.020 177.222 176.300 -0.163 0.000 0.969 579 D CA 0.528 54.467 54.000 -0.102 0.000 0.842 579 D CB -0.159 40.588 40.800 -0.088 0.000 0.957 579 D HN 0.154 nan 8.370 nan 0.000 0.484 580 I N 2.300 122.716 120.570 -0.257 0.000 2.680 580 I HA -0.077 4.093 4.170 -0.000 0.000 0.286 580 I C 1.238 177.127 176.117 -0.379 0.000 1.144 580 I CA 0.422 61.439 61.300 -0.472 0.000 1.370 580 I CB 0.189 37.558 38.000 -1.051 0.000 1.420 580 I HN -0.228 nan 8.210 nan 0.000 0.540 581 K N 4.365 124.607 120.400 -0.263 0.000 2.358 581 K HA 0.228 4.547 4.320 -0.000 0.000 0.197 581 K C -0.032 176.489 176.600 -0.131 0.000 1.025 581 K CA 0.074 56.267 56.287 -0.157 0.000 1.104 581 K CB 0.388 32.826 32.500 -0.105 0.000 0.855 581 K HN 0.500 nan 8.250 nan 0.000 0.531 582 N N 0.883 119.473 118.700 -0.184 0.000 2.352 582 N HA 0.107 4.847 4.740 -0.000 0.000 0.291 582 N C 0.619 176.116 175.510 -0.022 0.000 1.040 582 N CA -0.396 52.606 53.050 -0.081 0.000 0.864 582 N CB 2.121 40.573 38.487 -0.057 0.000 1.440 582 N HN -0.171 nan 8.380 nan 0.000 0.483 583 I N 2.126 122.776 120.570 0.133 0.000 2.381 583 I HA -0.273 3.897 4.170 -0.000 0.000 0.255 583 I C 1.579 177.916 176.117 0.366 0.000 1.140 583 I CA 1.906 63.405 61.300 0.332 0.000 1.404 583 I CB 0.098 38.227 38.000 0.215 0.000 1.075 583 I HN 0.550 nan 8.210 nan 0.000 0.433 584 E N -0.601 119.716 120.200 0.196 0.000 2.250 584 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 584 E C 0.831 177.515 176.600 0.140 0.000 0.986 584 E CA 0.744 57.252 56.400 0.181 0.000 0.849 584 E CB -0.176 29.596 29.700 0.119 0.000 0.797 584 E HN 0.573 nan 8.360 nan 0.000 0.482 585 D N 0.546 120.958 120.400 0.020 0.000 2.324 585 D HA 0.027 4.667 4.640 -0.000 0.000 0.235 585 D C -0.167 176.089 176.300 -0.073 0.000 1.095 585 D CA 0.251 54.219 54.000 -0.054 0.000 0.871 585 D CB -0.239 40.471 40.800 -0.149 0.000 0.906 585 D HN 0.008 nan 8.370 nan 0.000 0.522 586 F N 1.633 121.641 119.950 0.096 0.000 2.429 586 F HA 0.207 4.733 4.527 -0.001 0.000 0.348 586 F C 1.481 177.395 175.800 0.189 0.000 1.109 586 F CA -0.245 57.828 58.000 0.122 0.000 1.232 586 F CB 1.028 40.160 39.000 0.220 0.000 1.157 586 F HN -0.268 nan 8.300 nan 0.000 0.564 587 T N 0.494 115.295 114.554 0.412 0.000 2.906 587 T HA 0.327 4.677 4.350 -0.000 0.000 0.295 587 T C 0.666 175.613 174.700 0.411 0.000 1.075 587 T CA -0.746 61.543 62.100 0.316 0.000 1.005 587 T CB 1.342 70.313 68.868 0.172 0.000 1.136 587 T HN 0.461 nan 8.240 nan 0.000 0.498 588 I N 1.942 122.676 120.570 0.274 0.000 2.300 588 I HA -0.179 3.991 4.170 -0.000 0.000 0.252 588 I C 2.247 178.537 176.117 0.289 0.000 1.119 588 I CA 2.439 63.880 61.300 0.234 0.000 1.384 588 I CB -0.390 37.661 38.000 0.085 0.000 1.062 588 I HN 0.862 nan 8.210 nan 0.000 0.426 589 S N -1.495 114.330 115.700 0.208 0.000 2.603 589 S HA 0.019 4.489 4.470 -0.000 0.000 0.220 589 S C 1.376 176.048 174.600 0.119 0.000 0.967 589 S CA 0.358 58.643 58.200 0.143 0.000 0.920 589 S CB -0.447 62.804 63.200 0.084 0.000 0.773 589 S HN 0.461 nan 8.310 nan 0.000 0.529 590 D N 0.654 121.136 120.400 0.137 0.000 2.340 590 D HA 0.212 4.851 4.640 -0.000 0.000 0.220 590 D C -0.733 175.402 176.300 -0.275 0.000 1.039 590 D CA 0.291 54.249 54.000 -0.069 0.000 0.866 590 D CB 0.034 40.782 40.800 -0.087 0.000 0.913 590 D HN 0.414 nan 8.370 nan 0.000 0.523 591 F N 0.443 120.401 119.950 0.014 0.000 2.458 591 F HA 0.370 4.896 4.527 -0.001 0.000 0.336 591 F C 0.466 176.216 175.800 -0.083 0.000 1.114 591 F CA -0.544 57.417 58.000 -0.065 0.000 0.987 591 F CB 1.957 40.892 39.000 -0.109 0.000 1.130 591 F HN -0.451 nan 8.300 nan 0.000 0.458 592 T N 4.609 119.176 114.554 0.023 0.000 3.011 592 T HA 0.450 4.800 4.350 -0.000 0.000 0.303 592 T C -0.779 173.863 174.700 -0.097 0.000 0.997 592 T CA -0.468 61.619 62.100 -0.021 0.000 1.007 592 T CB 1.220 70.077 68.868 -0.018 0.000 1.017 592 T HN 0.175 nan 8.240 nan 0.000 0.443 593 I N 3.558 124.068 120.570 -0.100 0.000 2.331 593 I HA 0.343 4.512 4.170 -0.000 0.000 0.292 593 I C 0.404 176.503 176.117 -0.029 0.000 0.998 593 I CA -0.442 60.773 61.300 -0.141 0.000 1.267 593 I CB 1.271 39.163 38.000 -0.180 0.000 1.386 593 I HN 0.637 nan 8.210 nan 0.000 0.476 594 Q N 5.213 125.008 119.800 -0.008 0.000 2.306 594 Q HA 0.397 4.736 4.340 -0.000 0.000 0.265 594 Q C -0.226 175.829 176.000 0.091 0.000 1.022 594 Q CA -0.787 55.040 55.803 0.041 0.000 0.853 594 Q CB 1.542 30.292 28.738 0.021 0.000 1.327 594 Q HN 0.437 nan 8.270 nan 0.000 0.449 595 N N 1.437 120.191 118.700 0.090 0.000 2.714 595 N HA -0.235 4.504 4.740 -0.000 0.000 0.253 595 N C -1.519 174.075 175.510 0.140 0.000 1.024 595 N CA 0.725 53.827 53.050 0.087 0.000 0.726 595 N CB -0.819 37.714 38.487 0.075 0.000 0.908 595 N HN 0.534 nan 8.380 nan 0.000 0.542 596 Y N 0.859 121.158 120.300 -0.002 0.000 2.595 596 Y HA 0.373 4.923 4.550 -0.000 0.000 0.347 596 Y C -0.259 175.505 175.900 -0.225 0.000 1.025 596 Y CA -0.787 57.313 58.100 0.001 0.000 1.295 596 Y CB 0.451 38.963 38.460 0.088 0.000 1.147 596 Y HN 0.006 nan 8.280 nan 0.000 0.515 597 V N 8.233 127.805 119.914 -0.571 0.000 2.383 597 V HA 0.308 4.428 4.120 -0.000 0.000 0.275 597 V C -0.447 175.029 176.094 -1.030 0.000 1.036 597 V CA -0.271 61.142 62.300 -1.479 0.000 0.889 597 V CB 0.241 31.383 31.823 -1.135 0.000 0.985 597 V HN 0.861 nan 8.190 nan 0.000 0.459 598 H N 1.465 119.921 119.070 -1.023 0.000 2.977 598 H HA 0.636 5.192 4.556 -0.000 0.000 0.350 598 H C -0.503 174.854 175.328 0.048 0.000 1.238 598 H CA -0.954 54.891 56.048 -0.338 0.000 1.124 598 H CB 0.989 30.348 29.762 -0.671 0.000 1.866 598 H HN 0.530 nan 8.280 nan 0.000 0.550 599 H N -0.178 119.106 119.070 0.358 0.000 2.408 599 H HA 0.145 4.701 4.556 -0.000 0.000 0.345 599 H C -0.215 175.304 175.328 0.320 0.000 1.547 599 H CA -0.333 55.900 56.048 0.308 0.000 1.447 599 H CB 1.025 30.880 29.762 0.156 0.000 1.686 599 H HN 0.723 nan 8.280 nan 0.000 0.625 600 E N 1.174 121.585 120.200 0.352 0.000 2.398 600 E HA -0.007 4.343 4.350 -0.000 0.000 0.263 600 E C -0.135 176.578 176.600 0.189 0.000 1.046 600 E CA -0.249 56.296 56.400 0.242 0.000 0.908 600 E CB 0.752 30.558 29.700 0.177 0.000 0.963 600 E HN 0.305 nan 8.360 nan 0.000 0.431 601 K N 3.217 123.706 120.400 0.149 0.000 2.469 601 K HA 0.092 4.412 4.320 -0.000 0.000 0.274 601 K C -0.589 176.075 176.600 0.107 0.000 0.983 601 K CA 0.264 56.623 56.287 0.119 0.000 0.974 601 K CB 0.418 33.011 32.500 0.155 0.000 0.913 601 K HN 0.418 nan 8.250 nan 0.000 0.493 602 I N 1.948 122.571 120.570 0.089 0.000 2.582 602 I HA 0.103 4.273 4.170 -0.000 0.000 0.292 602 I C -0.611 175.543 176.117 0.062 0.000 1.066 602 I CA -0.773 60.568 61.300 0.067 0.000 1.053 602 I CB 2.307 40.334 38.000 0.046 0.000 1.241 602 I HN 0.482 nan 8.210 nan 0.000 0.421 603 S N 6.229 121.962 115.700 0.055 0.000 2.399 603 S HA 0.273 4.743 4.470 -0.000 0.000 0.301 603 S C 1.141 175.762 174.600 0.034 0.000 1.093 603 S CA -0.690 57.540 58.200 0.050 0.000 1.077 603 S CB 0.983 64.214 63.200 0.053 0.000 0.980 603 S HN 0.500 nan 8.310 nan 0.000 0.494 604 M N 1.660 121.257 119.600 -0.006 0.000 2.086 604 M HA -0.059 4.420 4.480 -0.000 0.000 0.261 604 M C 1.147 177.508 176.300 0.102 0.000 1.067 604 M CA 1.231 56.474 55.300 -0.094 0.000 1.116 604 M CB -0.827 31.503 32.600 -0.450 0.000 1.348 604 M HN 0.484 nan 8.290 nan 0.000 0.407 605 D N 2.171 122.663 120.400 0.153 0.000 2.885 605 D HA 0.220 4.860 4.640 -0.000 0.000 0.234 605 D C 0.065 176.433 176.300 0.113 0.000 1.129 605 D CA 0.171 54.287 54.000 0.193 0.000 0.991 605 D CB -0.299 40.585 40.800 0.139 0.000 1.137 605 D HN 0.395 nan 8.370 nan 0.000 0.459 606 M N 0.000 119.666 119.600 0.110 0.000 2.572 606 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 606 M CA 0.000 55.343 55.300 0.072 0.000 0.988 606 M CB 0.000 32.632 32.600 0.053 0.000 1.302 606 M HN 0.000 nan 8.290 nan 0.000 0.411