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 1cgu_1_A DATA FIRST_RESID 1 DATA SEQUENCE DPDTAVTNKQ SFSTDVIYQV FTDRFLDGNP SNNPTGAAYD ATcSNLKLYc DATA SEQUENCE GGDWQGLINK INDNYFSDLG VTALWISQPV ENIFATINYS GVTNTAYHGY DATA SEQUENCE WARDFKKTNP YFGTMADFQN LITTAHAKGI KIVIDFAPNH TSPAMETDTS DATA SEQUENCE FAENGRLYDN GTLVGGYTND TNGYFHHNGG SDFSSLENGI YKNLYDLADF DATA SEQUENCE NHNNATIDKY FKDAIKLWLD MGVDGIRVAA VKHMPLGWQK SWMSSIYAHK DATA SEQUENCE PVFTFGEWFL GSAASDADNT DFANKSGMSL LDFRFNSAVR NVFRDNTSNM DATA SEQUENCE YALDSMINST ATDYNQVNDQ VTFIDNHDMD RFKTSAVNNR RLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYLTGNG DPDNRAKMPS FSKSTTAFNV ISKLAPLRKS DATA SEQUENCE NPAIAYGSTQ QRWINNDVYV YERKFGKSVA VVAVNRNLST SASITGLSTS DATA SEQUENCE LPTGSYTDVL GGVLNGNNIT STNGSINNFT LAAGATAVWQ YTTAETTPTI DATA SEQUENCE GHVGPVMGKP GNVVTIDGRG FGSTKGTVYF GTTAVTGAAI TSWEDTQIKV DATA SEQUENCE TIPSVAAGNY AVKVAASGVN SNAYNNFTIL TGDQVTVRFV VNNASTTLGQ DATA SEQUENCE NLYLTGNVAE LGNWSTGSTA IGPAFNQVIH QYPTWYYDVS VPAGKQLEFK DATA SEQUENCE FFKKNGSTIT WESGSNHTFT TPASGTATVT VNWQ 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 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.289 176.300 -0.019 0.000 2.045 1 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 1 D CB 0.000 40.776 40.800 -0.040 0.000 0.688 2 P HA 0.037 nan 4.420 nan 0.000 0.268 2 P C 0.922 178.196 177.300 -0.044 0.000 1.208 2 P CA -0.071 63.015 63.100 -0.024 0.000 0.777 2 P CB 0.699 32.381 31.700 -0.029 0.000 0.875 3 D N 0.664 121.051 120.400 -0.023 0.000 2.149 3 D HA -0.159 4.479 4.640 -0.003 0.000 0.198 3 D C 1.036 177.287 176.300 -0.082 0.000 0.990 3 D CA 1.958 55.943 54.000 -0.026 0.000 0.839 3 D CB -1.238 39.590 40.800 0.048 0.000 0.948 3 D HN 0.245 nan 8.370 nan 0.000 0.460 4 T N 0.911 115.418 114.554 -0.077 0.000 2.777 4 T HA 0.070 4.419 4.350 -0.003 0.000 0.266 4 T C 1.219 175.837 174.700 -0.137 0.000 1.040 4 T CA 1.166 63.199 62.100 -0.112 0.000 1.141 4 T CB -0.521 68.299 68.868 -0.080 0.000 0.868 4 T HN 0.493 nan 8.240 nan 0.000 0.444 5 A N 1.487 124.238 122.820 -0.115 0.000 2.565 5 A HA 0.227 4.545 4.320 -0.003 0.000 0.237 5 A C 1.820 179.299 177.584 -0.176 0.000 1.053 5 A CA -0.090 51.873 52.037 -0.123 0.000 0.755 5 A CB -0.009 18.933 19.000 -0.096 0.000 0.980 5 A HN 0.229 nan 8.150 nan 0.000 0.506 6 V N 3.396 123.200 119.914 -0.183 0.000 2.439 6 V HA -0.270 3.849 4.120 -0.003 0.000 0.253 6 V C 2.604 178.526 176.094 -0.287 0.000 1.074 6 V CA 3.325 65.477 62.300 -0.247 0.000 1.076 6 V CB -1.198 30.500 31.823 -0.208 0.000 0.664 6 V HN 1.295 nan 8.190 nan 0.000 0.461 7 T N -1.128 113.295 114.554 -0.218 0.000 2.836 7 T HA -0.243 4.106 4.350 -0.003 0.000 0.268 7 T C 1.127 175.721 174.700 -0.177 0.000 1.080 7 T CA 1.477 63.465 62.100 -0.187 0.000 1.128 7 T CB -0.821 67.976 68.868 -0.119 0.000 0.839 7 T HN 0.528 nan 8.240 nan 0.000 0.507 8 N N 1.551 120.128 118.700 -0.205 0.000 2.719 8 N HA 0.194 4.933 4.740 -0.003 0.000 0.243 8 N C 0.730 176.106 175.510 -0.224 0.000 1.104 8 N CA -0.291 52.646 53.050 -0.187 0.000 0.981 8 N CB 0.585 38.958 38.487 -0.189 0.000 1.290 8 N HN 0.410 nan 8.380 nan 0.000 0.513 9 K N 1.574 121.910 120.400 -0.108 0.000 2.362 9 K HA -0.084 4.235 4.320 -0.003 0.000 0.200 9 K C 0.526 177.220 176.600 0.156 0.000 1.046 9 K CA 0.972 57.265 56.287 0.011 0.000 0.952 9 K CB 0.394 32.941 32.500 0.079 0.000 0.753 9 K HN 0.483 nan 8.250 nan 0.000 0.466 10 Q N -0.270 119.582 119.800 0.087 0.000 2.356 10 Q HA 0.123 4.461 4.340 -0.003 0.000 0.205 10 Q C 0.045 176.151 176.000 0.177 0.000 0.901 10 Q CA 0.045 55.964 55.803 0.193 0.000 0.938 10 Q CB 1.258 30.070 28.738 0.124 0.000 1.081 10 Q HN -0.063 nan 8.270 nan 0.000 0.517 11 S N -1.092 114.564 115.700 -0.074 0.000 2.547 11 S HA 0.534 5.002 4.470 -0.003 0.000 0.281 11 S C -1.053 173.241 174.600 -0.510 0.000 1.118 11 S CA -0.603 57.366 58.200 -0.385 0.000 0.947 11 S CB 0.395 63.321 63.200 -0.456 0.000 1.053 11 S HN 0.177 nan 8.310 nan 0.000 0.482 12 F N 1.950 121.321 119.950 -0.965 0.000 2.746 12 F HA 0.297 4.823 4.527 -0.002 0.000 0.320 12 F C 2.089 177.550 175.800 -0.565 0.000 1.097 12 F CA -0.131 57.434 58.000 -0.726 0.000 1.195 12 F CB 0.457 38.952 39.000 -0.841 0.000 1.056 12 F HN 0.523 nan 8.300 nan 0.000 0.562 13 S N -0.383 115.053 115.700 -0.440 0.000 2.440 13 S HA -0.181 4.288 4.470 -0.003 0.000 0.238 13 S C 2.087 176.465 174.600 -0.370 0.000 1.010 13 S CA 1.975 59.948 58.200 -0.377 0.000 0.972 13 S CB -0.525 62.431 63.200 -0.407 0.000 0.774 13 S HN 0.534 nan 8.310 nan 0.000 0.501 14 T N -0.912 113.426 114.554 -0.360 0.000 3.086 14 T HA 0.178 4.526 4.350 -0.003 0.000 0.250 14 T C 0.177 174.740 174.700 -0.228 0.000 1.074 14 T CA -0.283 61.627 62.100 -0.316 0.000 0.988 14 T CB 0.092 68.791 68.868 -0.282 0.000 0.988 14 T HN 0.115 nan 8.240 nan 0.000 0.530 15 D N 0.697 120.983 120.400 -0.189 0.000 2.549 15 D HA 0.582 5.221 4.640 -0.003 0.000 0.270 15 D C -0.826 175.444 176.300 -0.050 0.000 1.181 15 D CA -0.541 53.392 54.000 -0.111 0.000 1.070 15 D CB 2.226 42.982 40.800 -0.074 0.000 1.154 15 D HN -0.003 nan 8.370 nan 0.000 0.602 16 V N 1.211 121.130 119.914 0.007 0.000 2.612 16 V HA 0.280 4.399 4.120 -0.003 0.000 0.301 16 V C -0.108 176.057 176.094 0.118 0.000 1.059 16 V CA -0.629 61.694 62.300 0.039 0.000 0.886 16 V CB 1.817 33.652 31.823 0.020 0.000 1.007 16 V HN 0.353 nan 8.190 nan 0.000 0.426 17 I N 4.540 125.203 120.570 0.155 0.000 2.474 17 I HA 0.261 4.430 4.170 -0.003 0.000 0.287 17 I C -0.714 175.594 176.117 0.319 0.000 1.048 17 I CA -0.275 61.171 61.300 0.244 0.000 1.383 17 I CB 0.714 38.852 38.000 0.231 0.000 1.412 17 I HN 0.618 nan 8.210 nan 0.000 0.531 18 Y N 6.703 127.097 120.300 0.156 0.000 2.353 18 Y HA 0.234 4.783 4.550 -0.003 0.000 0.340 18 Y C 0.018 176.022 175.900 0.175 0.000 0.972 18 Y CA -0.372 57.817 58.100 0.148 0.000 1.157 18 Y CB 0.769 39.272 38.460 0.072 0.000 1.157 18 Y HN 0.486 nan 8.280 nan 0.000 0.495 19 Q N 6.190 125.971 119.800 -0.031 0.000 2.303 19 Q HA 0.518 4.857 4.340 -0.003 0.000 0.257 19 Q C -1.893 174.017 176.000 -0.150 0.000 0.941 19 Q CA -0.515 55.194 55.803 -0.157 0.000 0.931 19 Q CB 1.379 29.845 28.738 -0.453 0.000 1.215 19 Q HN 0.633 nan 8.270 nan 0.000 0.437 20 V N 6.176 126.038 119.914 -0.088 0.000 2.483 20 V HA 0.347 4.466 4.120 -0.003 0.000 0.297 20 V C -1.143 174.921 176.094 -0.050 0.000 1.027 20 V CA -0.674 61.599 62.300 -0.045 0.000 0.855 20 V CB 1.278 32.995 31.823 -0.177 0.000 0.995 20 V HN 0.767 nan 8.190 nan 0.000 0.424 21 F N 5.964 125.754 119.950 -0.267 0.000 2.516 21 F HA 0.173 4.699 4.527 -0.003 0.000 0.351 21 F C 1.959 177.623 175.800 -0.227 0.000 1.208 21 F CA 0.868 58.759 58.000 -0.183 0.000 1.073 21 F CB 0.452 39.444 39.000 -0.013 0.000 1.203 21 F HN 0.745 nan 8.300 nan 0.000 0.602 22 T N 1.397 115.817 114.554 -0.224 0.000 2.594 22 T HA -0.386 3.962 4.350 -0.003 0.000 0.266 22 T C 1.730 176.381 174.700 -0.082 0.000 1.070 22 T CA 2.174 64.107 62.100 -0.277 0.000 1.166 22 T CB -0.406 67.940 68.868 -0.870 0.000 0.862 22 T HN 0.666 nan 8.240 nan 0.000 0.436 23 D N 0.352 120.795 120.400 0.072 0.000 2.263 23 D HA -0.098 4.540 4.640 -0.003 0.000 0.208 23 D C 1.991 178.423 176.300 0.221 0.000 0.971 23 D CA 0.618 54.804 54.000 0.310 0.000 0.867 23 D CB 0.108 41.238 40.800 0.550 0.000 0.929 23 D HN 0.069 nan 8.370 nan 0.000 0.492 24 R N -0.543 120.051 120.500 0.158 0.000 2.320 24 R HA 0.077 4.415 4.340 -0.003 0.000 0.211 24 R C 0.869 177.200 176.300 0.053 0.000 0.931 24 R CA -0.044 56.100 56.100 0.073 0.000 1.071 24 R CB -0.488 29.829 30.300 0.027 0.000 1.025 24 R HN 0.323 nan 8.270 nan 0.000 0.495 25 F N -0.009 119.900 119.950 -0.067 0.000 2.204 25 F HA 0.278 4.804 4.527 -0.003 0.000 0.276 25 F C 0.512 176.412 175.800 0.167 0.000 1.085 25 F CA 0.568 58.587 58.000 0.032 0.000 1.160 25 F CB 0.476 39.539 39.000 0.104 0.000 1.091 25 F HN -0.182 nan 8.300 nan 0.000 0.522 26 L N 1.438 122.835 121.223 0.291 0.000 2.562 26 L HA 0.221 4.560 4.340 -0.003 0.000 0.266 26 L C -1.602 175.376 176.870 0.181 0.000 0.949 26 L CA -0.522 54.417 54.840 0.164 0.000 0.879 26 L CB 1.320 43.435 42.059 0.094 0.000 1.278 26 L HN 0.091 nan 8.230 nan 0.000 0.404 27 D N 3.003 123.485 120.400 0.136 0.000 2.498 27 D HA 0.170 4.809 4.640 -0.003 0.000 0.229 27 D C 1.260 177.618 176.300 0.096 0.000 1.188 27 D CA 0.455 54.529 54.000 0.124 0.000 1.028 27 D CB 1.028 41.900 40.800 0.120 0.000 1.087 27 D HN 0.753 nan 8.370 nan 0.000 0.510 28 G N 3.342 112.206 108.800 0.107 0.000 2.422 28 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.218 28 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.218 28 G C 0.867 175.808 174.900 0.068 0.000 1.146 28 G CA 0.010 45.161 45.100 0.085 0.000 0.769 28 G HN 0.541 nan 8.290 nan 0.000 0.547 29 N N -0.325 118.417 118.700 0.071 0.000 2.346 29 N HA 0.319 5.057 4.740 -0.003 0.000 0.289 29 N C -2.756 172.773 175.510 0.031 0.000 1.027 29 N CA -1.576 51.504 53.050 0.049 0.000 0.864 29 N CB 2.962 41.482 38.487 0.056 0.000 1.370 29 N HN -0.192 nan 8.380 nan 0.000 0.481 30 P HA 0.276 nan 4.420 nan 0.000 0.275 30 P C 0.335 177.602 177.300 -0.054 0.000 1.310 30 P CA 0.045 63.135 63.100 -0.015 0.000 0.904 30 P CB 0.671 32.375 31.700 0.007 0.000 1.381 31 S N 0.622 116.301 115.700 -0.035 0.000 2.446 31 S HA -0.044 4.425 4.470 -0.003 0.000 0.225 31 S C 1.277 175.841 174.600 -0.059 0.000 1.016 31 S CA 0.584 58.757 58.200 -0.045 0.000 0.943 31 S CB -0.783 62.404 63.200 -0.022 0.000 0.786 31 S HN 0.289 nan 8.310 nan 0.000 0.508 32 N N 2.227 120.901 118.700 -0.044 0.000 2.597 32 N HA 0.136 4.874 4.740 -0.003 0.000 0.269 32 N C -1.043 174.440 175.510 -0.045 0.000 1.204 32 N CA -0.193 52.837 53.050 -0.033 0.000 0.947 32 N CB -0.705 37.769 38.487 -0.022 0.000 1.258 32 N HN 0.045 nan 8.380 nan 0.000 0.508 33 N N 1.105 119.704 118.700 -0.170 0.000 2.443 33 N HA 0.478 5.216 4.740 -0.003 0.000 0.295 33 N C -2.424 172.792 175.510 -0.489 0.000 1.076 33 N CA -1.696 51.100 53.050 -0.424 0.000 0.919 33 N CB 0.964 39.064 38.487 -0.645 0.000 1.176 33 N HN 0.129 nan 8.380 nan 0.000 0.487 34 P HA 0.064 nan 4.420 nan 0.000 0.271 34 P C -0.679 176.358 177.300 -0.438 0.000 1.233 34 P CA 0.113 62.780 63.100 -0.721 0.000 0.795 34 P CB 0.379 31.504 31.700 -0.958 0.000 0.936 35 T N 1.035 115.453 114.554 -0.226 0.000 2.874 35 T HA 0.548 4.896 4.350 -0.003 0.000 0.321 35 T C 0.520 175.215 174.700 -0.008 0.000 1.075 35 T CA 0.214 62.262 62.100 -0.087 0.000 0.966 35 T CB 0.519 69.339 68.868 -0.080 0.000 1.001 35 T HN 0.804 nan 8.240 nan 0.000 0.476 36 G N 3.354 112.199 108.800 0.074 0.000 2.596 36 G HA2 -0.132 3.826 3.960 -0.003 0.000 0.258 36 G HA3 -0.132 3.826 3.960 -0.003 0.000 0.258 36 G C 1.285 176.224 174.900 0.065 0.000 1.207 36 G CA 0.081 45.218 45.100 0.061 0.000 0.954 36 G HN 1.050 nan 8.290 nan 0.000 0.551 37 A N -0.123 122.722 122.820 0.041 0.000 1.916 37 A HA 0.004 4.322 4.320 -0.003 0.000 0.224 37 A C 2.936 180.566 177.584 0.076 0.000 1.366 37 A CA 4.392 56.457 52.037 0.047 0.000 0.692 37 A CB -1.299 17.726 19.000 0.041 0.000 0.841 37 A HN 2.515 nan 8.150 nan 0.000 0.480 38 A N -3.581 119.297 122.820 0.096 0.000 2.239 38 A HA 0.346 4.665 4.320 -0.003 0.000 0.209 38 A C 0.523 178.249 177.584 0.237 0.000 1.171 38 A CA 0.798 52.934 52.037 0.166 0.000 0.768 38 A CB -0.319 18.766 19.000 0.143 0.000 0.790 38 A HN 0.722 nan 8.150 nan 0.000 0.478 39 Y N -0.488 119.818 120.300 0.011 0.000 2.442 39 Y HA 0.565 5.114 4.550 -0.003 0.000 0.344 39 Y C -1.790 174.110 175.900 -0.000 0.000 0.976 39 Y CA -2.282 55.816 58.100 -0.003 0.000 1.040 39 Y CB 1.655 40.072 38.460 -0.071 0.000 1.228 39 Y HN 0.091 nan 8.280 nan 0.000 0.451 40 D N 3.961 123.946 120.400 -0.691 0.000 2.542 40 D HA 0.488 5.126 4.640 -0.003 0.000 0.252 40 D C 0.307 176.145 176.300 -0.769 0.000 1.222 40 D CA 0.171 53.796 54.000 -0.626 0.000 0.895 40 D CB 1.942 42.585 40.800 -0.261 0.000 1.207 40 D HN 0.754 nan 8.370 nan 0.000 0.558 41 A N 2.408 124.761 122.820 -0.779 0.000 1.877 41 A HA -0.147 4.171 4.320 -0.003 0.000 0.216 41 A C 1.872 179.358 177.584 -0.164 0.000 1.186 41 A CA 2.279 54.075 52.037 -0.402 0.000 0.620 41 A CB -0.723 18.156 19.000 -0.202 0.000 0.822 41 A HN 0.612 nan 8.150 nan 0.000 0.443 42 T N -5.025 109.430 114.554 -0.164 0.000 3.085 42 T HA -0.011 4.338 4.350 -0.003 0.000 0.263 42 T C 0.931 175.578 174.700 -0.088 0.000 1.127 42 T CA 0.611 62.653 62.100 -0.097 0.000 1.103 42 T CB -1.316 67.501 68.868 -0.085 0.000 0.921 42 T HN 1.072 nan 8.240 nan 0.000 0.510 43 c N 2.115 120.645 118.600 -0.116 0.000 3.886 43 c HA -0.221 4.347 4.570 -0.003 0.000 0.295 43 c C 1.719 175.764 174.090 -0.075 0.000 1.411 43 c CA 0.597 56.872 56.329 -0.091 0.000 2.059 43 c CB -2.734 39.747 42.510 -0.049 0.000 1.329 43 c HN 0.756 nan 8.230 nan 0.000 0.670 44 S N -0.581 115.072 115.700 -0.078 0.000 2.470 44 S HA 0.023 4.492 4.470 -0.003 0.000 0.222 44 S C 0.624 175.190 174.600 -0.057 0.000 1.024 44 S CA 0.742 58.907 58.200 -0.058 0.000 0.931 44 S CB -0.051 63.118 63.200 -0.052 0.000 0.791 44 S HN 0.834 nan 8.310 nan 0.000 0.513 45 N N 1.732 120.390 118.700 -0.070 0.000 2.609 45 N HA 0.260 4.998 4.740 -0.003 0.000 0.234 45 N C 0.144 175.596 175.510 -0.096 0.000 1.001 45 N CA -0.342 52.672 53.050 -0.060 0.000 0.926 45 N CB 0.407 38.867 38.487 -0.047 0.000 1.130 45 N HN -0.079 nan 8.380 nan 0.000 0.510 46 L N 2.656 123.817 121.223 -0.104 0.000 2.450 46 L HA 0.028 4.366 4.340 -0.003 0.000 0.224 46 L C 1.836 178.516 176.870 -0.317 0.000 1.149 46 L CA 1.170 55.895 54.840 -0.191 0.000 0.816 46 L CB -0.318 41.672 42.059 -0.115 0.000 0.932 46 L HN 0.536 nan 8.230 nan 0.000 0.449 47 K N -1.136 119.191 120.400 -0.123 0.000 2.418 47 K HA 0.102 4.421 4.320 -0.003 0.000 0.195 47 K C 0.537 177.139 176.600 0.003 0.000 1.035 47 K CA 0.105 56.405 56.287 0.022 0.000 1.003 47 K CB 0.275 32.854 32.500 0.131 0.000 0.793 47 K HN 0.236 nan 8.250 nan 0.000 0.494 48 L N 0.241 121.402 121.223 -0.104 0.000 2.400 48 L HA 0.258 4.596 4.340 -0.003 0.000 0.264 48 L C 0.079 176.891 176.870 -0.097 0.000 1.061 48 L CA -1.058 53.762 54.840 -0.033 0.000 0.799 48 L CB 0.334 42.387 42.059 -0.009 0.000 1.240 48 L HN -0.066 nan 8.230 nan 0.000 0.461 49 Y N -0.856 119.457 120.300 0.021 0.000 2.411 49 Y HA 0.003 4.551 4.550 -0.003 0.000 0.333 49 Y C 0.865 176.827 175.900 0.103 0.000 1.186 49 Y CA -0.056 58.086 58.100 0.070 0.000 1.381 49 Y CB 0.821 39.313 38.460 0.053 0.000 1.273 49 Y HN 0.510 nan 8.280 nan 0.000 0.546 50 c N 1.236 120.005 118.600 0.281 0.000 3.038 50 c HA 0.326 4.895 4.570 -0.003 0.000 0.279 50 c C 1.622 175.934 174.090 0.370 0.000 1.276 50 c CA 0.210 56.663 56.329 0.206 0.000 1.697 50 c CB -0.627 41.937 42.510 0.089 0.000 2.032 50 c HN 1.238 nan 8.230 nan 0.000 0.636 51 G N 0.822 109.877 108.800 0.424 0.000 2.176 51 G HA2 -0.112 3.846 3.960 -0.003 0.000 0.253 51 G HA3 -0.112 3.846 3.960 -0.003 0.000 0.253 51 G C 0.409 175.436 174.900 0.211 0.000 0.979 51 G CA 0.063 45.321 45.100 0.264 0.000 0.641 51 G HN 0.816 nan 8.290 nan 0.000 0.530 52 G N 0.477 109.426 108.800 0.249 0.000 2.491 52 G HA2 0.550 4.509 3.960 -0.003 0.000 0.242 52 G HA3 0.550 4.509 3.960 -0.003 0.000 0.242 52 G C -0.072 174.967 174.900 0.232 0.000 1.266 52 G CA 0.899 46.132 45.100 0.222 0.000 0.844 52 G HN 1.113 nan 8.290 nan 0.000 0.571 53 D N -0.424 120.084 120.400 0.180 0.000 2.713 53 D HA 0.008 4.646 4.640 -0.003 0.000 0.306 53 D C 0.255 176.670 176.300 0.192 0.000 1.299 53 D CA -0.788 53.285 54.000 0.123 0.000 0.823 53 D CB 0.144 41.019 40.800 0.125 0.000 1.353 53 D HN 0.327 nan 8.370 nan 0.000 0.447 54 W N 0.287 121.672 121.300 0.141 0.000 2.321 54 W HA -0.131 4.528 4.660 -0.003 0.000 0.306 54 W C 2.274 178.854 176.519 0.101 0.000 1.217 54 W CA 1.403 58.811 57.345 0.106 0.000 1.257 54 W CB -1.314 28.231 29.460 0.142 0.000 1.145 54 W HN 0.550 nan 8.180 nan 0.000 0.509 55 Q N 0.247 120.224 119.800 0.297 0.000 2.234 55 Q HA -0.092 4.247 4.340 -0.003 0.000 0.206 55 Q C 2.346 178.448 176.000 0.170 0.000 0.980 55 Q CA 2.258 58.177 55.803 0.194 0.000 0.869 55 Q CB -0.950 27.875 28.738 0.144 0.000 0.912 55 Q HN 0.197 nan 8.270 nan 0.000 0.436 56 G N 0.178 109.097 108.800 0.198 0.000 2.421 56 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.216 56 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.216 56 G C 1.275 176.340 174.900 0.274 0.000 1.171 56 G CA 0.975 46.198 45.100 0.205 0.000 0.775 56 G HN 0.405 nan 8.290 nan 0.000 0.543 57 L N 0.033 121.456 121.223 0.333 0.000 2.093 57 L HA 0.053 4.391 4.340 -0.003 0.000 0.208 57 L C 2.836 179.881 176.870 0.292 0.000 1.085 57 L CA 0.364 55.433 54.840 0.381 0.000 0.755 57 L CB -0.398 41.810 42.059 0.248 0.000 0.904 57 L HN 0.190 nan 8.230 nan 0.000 0.435 58 I N 0.133 120.820 120.570 0.194 0.000 2.099 58 I HA -0.314 3.854 4.170 -0.003 0.000 0.239 58 I C 2.350 178.534 176.117 0.111 0.000 1.066 58 I CA 1.286 62.664 61.300 0.130 0.000 1.324 58 I CB -0.463 37.598 38.000 0.101 0.000 1.037 58 I HN 0.343 nan 8.210 nan 0.000 0.401 59 N N 1.163 119.914 118.700 0.086 0.000 2.037 59 N HA -0.210 4.528 4.740 -0.003 0.000 0.196 59 N C 1.731 177.238 175.510 -0.005 0.000 1.034 59 N CA 1.409 54.475 53.050 0.027 0.000 0.861 59 N CB -0.384 38.104 38.487 0.002 0.000 1.039 59 N HN 0.240 nan 8.380 nan 0.000 0.427 60 K N 0.935 121.335 120.400 0.000 0.000 2.103 60 K HA -0.020 4.299 4.320 -0.003 0.000 0.207 60 K C 2.228 178.840 176.600 0.021 0.000 1.048 60 K CA 0.594 56.822 56.287 -0.097 0.000 0.930 60 K CB -0.689 31.735 32.500 -0.126 0.000 0.716 60 K HN 0.340 nan 8.250 nan 0.000 0.444 61 I N 1.762 122.482 120.570 0.250 0.000 2.286 61 I HA -0.291 3.878 4.170 -0.003 0.000 0.248 61 I C 1.844 178.041 176.117 0.134 0.000 1.115 61 I CA 1.085 62.565 61.300 0.300 0.000 1.392 61 I CB -0.309 37.838 38.000 0.245 0.000 1.065 61 I HN 0.167 nan 8.210 nan 0.000 0.418 62 N N 1.157 119.906 118.700 0.081 0.000 2.216 62 N HA -0.147 4.591 4.740 -0.003 0.000 0.183 62 N C 0.925 176.447 175.510 0.020 0.000 1.017 62 N CA 1.547 54.623 53.050 0.043 0.000 0.861 62 N CB -0.467 38.037 38.487 0.028 0.000 0.986 62 N HN 0.560 nan 8.380 nan 0.000 0.428 63 D N -0.148 120.247 120.400 -0.008 0.000 2.413 63 D HA 0.076 4.715 4.640 -0.003 0.000 0.237 63 D C -0.363 175.937 176.300 0.000 0.000 1.171 63 D CA -0.334 53.653 54.000 -0.021 0.000 0.839 63 D CB -0.470 40.290 40.800 -0.066 0.000 0.950 63 D HN -0.157 nan 8.370 nan 0.000 0.499 64 N N -0.469 118.246 118.700 0.025 0.000 2.727 64 N HA -0.292 4.446 4.740 -0.003 0.000 0.249 64 N C -0.237 175.303 175.510 0.050 0.000 1.048 64 N CA 0.452 53.528 53.050 0.043 0.000 0.714 64 N CB -1.604 36.904 38.487 0.036 0.000 0.959 64 N HN 0.508 nan 8.380 nan 0.000 0.544 65 Y N -0.075 120.128 120.300 -0.161 0.000 2.153 65 Y HA -0.018 4.530 4.550 -0.003 0.000 0.289 65 Y C 1.791 177.605 175.900 -0.144 0.000 1.127 65 Y CA 1.616 59.597 58.100 -0.198 0.000 1.131 65 Y CB -0.339 37.859 38.460 -0.437 0.000 0.995 65 Y HN 0.142 nan 8.280 nan 0.000 0.505 66 F N 0.106 120.076 119.950 0.034 0.000 2.186 66 F HA -0.186 4.340 4.527 -0.003 0.000 0.299 66 F C 2.827 178.552 175.800 -0.124 0.000 1.090 66 F CA 1.475 59.404 58.000 -0.119 0.000 1.307 66 F CB -1.311 37.650 39.000 -0.066 0.000 1.019 66 F HN 0.134 nan 8.300 nan 0.000 0.489 67 S N -0.657 115.116 115.700 0.122 0.000 2.387 67 S HA -0.146 4.322 4.470 -0.003 0.000 0.226 67 S C 1.629 176.239 174.600 0.016 0.000 1.026 67 S CA 1.293 59.527 58.200 0.057 0.000 0.972 67 S CB -0.558 62.680 63.200 0.064 0.000 0.814 67 S HN 0.235 nan 8.310 nan 0.000 0.477 68 D N 1.327 121.741 120.400 0.023 0.000 2.178 68 D HA 0.046 4.685 4.640 -0.003 0.000 0.202 68 D C 1.726 178.049 176.300 0.038 0.000 0.974 68 D CA 0.440 54.487 54.000 0.079 0.000 0.841 68 D CB -0.402 40.492 40.800 0.156 0.000 0.953 68 D HN 0.290 nan 8.370 nan 0.000 0.478 69 L N -0.378 120.745 121.223 -0.167 0.000 2.291 69 L HA 0.140 4.478 4.340 -0.003 0.000 0.214 69 L C 1.647 178.320 176.870 -0.329 0.000 1.120 69 L CA 1.660 56.142 54.840 -0.597 0.000 0.799 69 L CB -0.415 41.275 42.059 -0.615 0.000 0.925 69 L HN 0.255 nan 8.230 nan 0.000 0.446 70 G N -1.166 107.543 108.800 -0.152 0.000 2.175 70 G HA2 -0.239 3.720 3.960 -0.003 0.000 0.244 70 G HA3 -0.239 3.720 3.960 -0.003 0.000 0.244 70 G C 0.450 175.311 174.900 -0.065 0.000 0.982 70 G CA 0.404 45.446 45.100 -0.097 0.000 0.641 70 G HN 0.831 nan 8.290 nan 0.000 0.527 71 V N 0.284 120.171 119.914 -0.044 0.000 2.673 71 V HA 0.604 4.722 4.120 -0.003 0.000 0.303 71 V C 1.166 177.261 176.094 0.002 0.000 1.046 71 V CA 1.381 63.689 62.300 0.012 0.000 1.126 71 V CB 1.087 32.946 31.823 0.061 0.000 0.934 71 V HN 1.058 nan 8.190 nan 0.000 0.487 72 T N 0.978 115.532 114.554 -0.000 0.000 3.129 72 T HA 0.749 5.097 4.350 -0.003 0.000 0.267 72 T C 0.258 174.949 174.700 -0.014 0.000 1.018 72 T CA 0.307 62.392 62.100 -0.025 0.000 0.903 72 T CB 0.045 68.875 68.868 -0.063 0.000 1.067 72 T HN 1.773 nan 8.240 nan 0.000 0.549 73 A N 1.059 123.901 122.820 0.036 0.000 2.612 73 A HA 0.774 5.093 4.320 -0.003 0.000 0.293 73 A C -1.860 175.780 177.584 0.094 0.000 1.075 73 A CA -0.968 51.131 52.037 0.103 0.000 0.680 73 A CB 1.196 20.363 19.000 0.278 0.000 1.279 73 A HN 0.362 nan 8.150 nan 0.000 0.411 74 L N 0.789 122.069 121.223 0.095 0.000 2.410 74 L HA 0.540 4.879 4.340 -0.003 0.000 0.270 74 L C -1.302 175.717 176.870 0.249 0.000 0.983 74 L CA -0.385 54.505 54.840 0.083 0.000 0.822 74 L CB 2.147 44.113 42.059 -0.155 0.000 1.285 74 L HN 0.839 nan 8.230 nan 0.000 0.409 75 W N 6.822 128.173 121.300 0.085 0.000 2.296 75 W HA 0.530 5.188 4.660 -0.003 0.000 0.316 75 W C -0.592 175.961 176.519 0.056 0.000 1.022 75 W CA -1.443 55.966 57.345 0.106 0.000 1.324 75 W CB 0.560 30.122 29.460 0.171 0.000 1.227 75 W HN 0.335 nan 8.180 nan 0.000 0.409 76 I N 2.346 123.091 120.570 0.292 0.000 2.934 76 I HA 0.527 4.695 4.170 -0.003 0.000 0.315 76 I C 0.441 176.607 176.117 0.083 0.000 0.997 76 I CA -0.626 60.727 61.300 0.088 0.000 1.184 76 I CB 0.728 38.778 38.000 0.082 0.000 1.400 76 I HN 0.193 nan 8.210 nan 0.000 0.549 77 S N 2.097 117.718 115.700 -0.132 0.000 2.563 77 S HA -0.045 4.423 4.470 -0.003 0.000 0.284 77 S C 0.160 174.752 174.600 -0.013 0.000 1.331 77 S CA -0.271 57.786 58.200 -0.239 0.000 1.047 77 S CB 0.173 63.145 63.200 -0.381 0.000 0.859 77 S HN 0.689 nan 8.310 nan 0.000 0.514 78 Q N 3.373 123.141 119.800 -0.053 0.000 2.269 78 Q HA -0.011 4.328 4.340 -0.003 0.000 0.300 78 Q C -1.650 174.418 176.000 0.114 0.000 1.070 78 Q CA -0.904 54.923 55.803 0.039 0.000 0.957 78 Q CB 0.568 29.309 28.738 0.004 0.000 1.131 78 Q HN 0.338 nan 8.270 nan 0.000 0.377 79 P HA 0.016 nan 4.420 nan 0.000 0.261 79 P C 0.187 177.585 177.300 0.163 0.000 1.268 79 P CA 0.159 63.459 63.100 0.334 0.000 0.833 79 P CB 0.066 31.922 31.700 0.260 0.000 1.231 80 V N -1.808 118.097 119.914 -0.015 0.000 3.003 80 V HA 0.281 4.399 4.120 -0.003 0.000 0.305 80 V C 0.500 176.539 176.094 -0.091 0.000 1.078 80 V CA -1.055 61.245 62.300 -0.001 0.000 1.083 80 V CB 0.228 31.991 31.823 -0.100 0.000 1.039 80 V HN -0.030 nan 8.190 nan 0.000 0.481 81 E N 2.830 122.971 120.200 -0.098 0.000 2.406 81 E HA 0.054 4.402 4.350 -0.003 0.000 0.258 81 E C 0.029 176.445 176.600 -0.307 0.000 1.043 81 E CA 0.135 56.396 56.400 -0.231 0.000 0.929 81 E CB 0.004 29.563 29.700 -0.235 0.000 0.969 81 E HN 0.856 nan 8.360 nan 0.000 0.462 82 N N 3.530 122.043 118.700 -0.312 0.000 2.476 82 N HA 0.227 4.966 4.740 -0.003 0.000 0.275 82 N C 0.335 175.649 175.510 -0.327 0.000 1.190 82 N CA -0.690 52.225 53.050 -0.225 0.000 0.977 82 N CB 0.816 39.229 38.487 -0.124 0.000 1.200 82 N HN 0.500 nan 8.380 nan 0.000 0.515 83 I N -1.302 119.188 120.570 -0.133 0.000 2.993 83 I HA -0.113 4.055 4.170 -0.003 0.000 0.301 83 I C -0.031 176.087 176.117 0.002 0.000 1.229 83 I CA 0.334 61.574 61.300 -0.100 0.000 1.435 83 I CB 0.192 38.216 38.000 0.041 0.000 1.328 83 I HN 0.468 nan 8.210 nan 0.000 0.584 84 F N 3.755 123.755 119.950 0.083 0.000 2.678 84 F HA 0.414 4.939 4.527 -0.003 0.000 0.291 84 F C 1.800 177.656 175.800 0.094 0.000 1.123 84 F CA 0.145 58.212 58.000 0.112 0.000 1.395 84 F CB -0.649 38.389 39.000 0.062 0.000 1.121 84 F HN 0.653 nan 8.300 nan 0.000 0.592 85 A N 0.417 123.370 122.820 0.221 0.000 2.520 85 A HA 0.286 4.604 4.320 -0.003 0.000 0.235 85 A C 0.530 178.168 177.584 0.091 0.000 1.065 85 A CA 0.428 52.522 52.037 0.094 0.000 0.764 85 A CB -0.226 18.763 19.000 -0.017 0.000 1.002 85 A HN 0.122 nan 8.150 nan 0.000 0.502 86 T N 2.196 116.776 114.554 0.044 0.000 2.795 86 T HA 0.532 4.880 4.350 -0.003 0.000 0.282 86 T C -0.212 174.450 174.700 -0.064 0.000 0.980 86 T CA -0.006 62.131 62.100 0.061 0.000 1.012 86 T CB -0.144 68.766 68.868 0.071 0.000 0.936 86 T HN 0.391 nan 8.240 nan 0.000 0.457 87 I N 4.597 125.117 120.570 -0.084 0.000 2.339 87 I HA 0.326 4.494 4.170 -0.003 0.000 0.290 87 I C 0.310 176.284 176.117 -0.238 0.000 0.994 87 I CA -0.753 60.337 61.300 -0.350 0.000 1.191 87 I CB 1.381 38.995 38.000 -0.642 0.000 1.343 87 I HN 0.508 nan 8.210 nan 0.000 0.458 88 N N 5.806 124.373 118.700 -0.222 0.000 2.439 88 N HA 0.205 4.943 4.740 -0.003 0.000 0.243 88 N C -1.503 173.943 175.510 -0.108 0.000 1.088 88 N CA -0.205 52.796 53.050 -0.081 0.000 0.940 88 N CB 0.286 38.753 38.487 -0.034 0.000 1.180 88 N HN 0.317 nan 8.380 nan 0.000 0.505 89 Y N 2.506 122.858 120.300 0.087 0.000 2.385 89 Y HA 0.236 4.785 4.550 -0.003 0.000 0.341 89 Y C 0.554 176.489 175.900 0.058 0.000 0.965 89 Y CA -0.776 57.375 58.100 0.086 0.000 1.180 89 Y CB 1.122 39.630 38.460 0.080 0.000 1.139 89 Y HN 0.486 nan 8.280 nan 0.000 0.502 90 S N 3.069 118.881 115.700 0.187 0.000 3.292 90 S HA -0.196 4.272 4.470 -0.003 0.000 0.360 90 S C 1.344 175.999 174.600 0.091 0.000 0.930 90 S CA 1.084 59.352 58.200 0.113 0.000 1.317 90 S CB -1.381 61.880 63.200 0.103 0.000 0.920 90 S HN 1.449 nan 8.310 nan 0.000 0.540 91 G N -0.963 107.882 108.800 0.075 0.000 2.347 91 G HA2 -0.294 3.665 3.960 -0.003 0.000 0.247 91 G HA3 -0.294 3.665 3.960 -0.003 0.000 0.247 91 G C 0.287 175.228 174.900 0.068 0.000 1.037 91 G CA 0.174 45.308 45.100 0.058 0.000 0.622 91 G HN 1.655 nan 8.290 nan 0.000 0.521 92 V N 2.755 122.729 119.914 0.099 0.000 2.370 92 V HA 0.654 4.772 4.120 -0.003 0.000 0.279 92 V C 0.623 176.799 176.094 0.137 0.000 1.029 92 V CA 0.357 62.721 62.300 0.106 0.000 0.870 92 V CB 1.232 33.117 31.823 0.103 0.000 0.984 92 V HN 0.414 nan 8.190 nan 0.000 0.451 93 T N 7.541 122.159 114.554 0.106 0.000 2.793 93 T HA 0.109 4.457 4.350 -0.003 0.000 0.289 93 T C 0.075 174.882 174.700 0.179 0.000 0.956 93 T CA 0.504 62.672 62.100 0.113 0.000 1.177 93 T CB -0.572 68.345 68.868 0.082 0.000 0.897 93 T HN 0.772 nan 8.240 nan 0.000 0.533 94 N N 2.501 121.351 118.700 0.250 0.000 2.400 94 N HA 0.385 5.123 4.740 -0.003 0.000 0.288 94 N C 0.203 175.940 175.510 0.379 0.000 1.024 94 N CA -0.522 52.758 53.050 0.383 0.000 0.894 94 N CB 1.841 40.712 38.487 0.640 0.000 1.173 94 N HN 0.633 nan 8.380 nan 0.000 0.487 95 T N -2.063 112.667 114.554 0.295 0.000 2.948 95 T HA 0.519 4.867 4.350 -0.003 0.000 0.285 95 T C 0.622 175.249 174.700 -0.122 0.000 1.019 95 T CA -0.835 61.372 62.100 0.178 0.000 1.013 95 T CB 1.652 70.552 68.868 0.054 0.000 1.117 95 T HN 0.377 nan 8.240 nan 0.000 0.533 96 A N 0.769 123.453 122.820 -0.226 0.000 2.648 96 A HA 0.286 4.604 4.320 -0.003 0.000 0.269 96 A C 1.251 178.156 177.584 -1.131 0.000 1.392 96 A CA -0.441 51.102 52.037 -0.824 0.000 1.019 96 A CB -1.630 17.276 19.000 -0.156 0.000 1.009 96 A HN 0.973 nan 8.150 nan 0.000 0.565 97 Y N -0.013 119.555 120.300 -1.219 0.000 2.283 97 Y HA -0.342 4.207 4.550 -0.003 0.000 0.285 97 Y C 1.839 177.469 175.900 -0.451 0.000 1.176 97 Y CA 1.814 59.270 58.100 -1.073 0.000 1.229 97 Y CB -1.049 36.956 38.460 -0.759 0.000 0.975 97 Y HN 0.737 nan 8.280 nan 0.000 0.537 98 H N -1.258 117.318 119.070 -0.822 0.000 2.539 98 H HA 0.372 4.927 4.556 -0.003 0.000 0.267 98 H C 1.691 176.528 175.328 -0.819 0.000 0.982 98 H CA 0.335 55.937 56.048 -0.742 0.000 1.146 98 H CB -0.209 29.059 29.762 -0.824 0.000 1.382 98 H HN 0.491 nan 8.280 nan 0.000 0.577 99 G N 1.215 109.689 108.800 -0.543 0.000 2.198 99 G HA2 -0.338 3.621 3.960 -0.003 0.000 0.260 99 G HA3 -0.338 3.621 3.960 -0.003 0.000 0.260 99 G C -0.125 174.524 174.900 -0.419 0.000 1.025 99 G CA 0.640 45.523 45.100 -0.363 0.000 0.769 99 G HN 0.522 nan 8.290 nan 0.000 0.507 100 Y N -2.284 118.043 120.300 0.045 0.000 2.430 100 Y HA 0.369 4.918 4.550 -0.003 0.000 0.248 100 Y C 1.110 177.184 175.900 0.290 0.000 1.108 100 Y CA -1.016 57.164 58.100 0.134 0.000 1.264 100 Y CB 0.393 38.926 38.460 0.122 0.000 1.172 100 Y HN 0.400 nan 8.280 nan 0.000 0.520 101 W N 2.094 123.537 121.300 0.240 0.000 1.705 101 W HA 0.681 5.340 4.660 -0.002 0.000 0.361 101 W C 0.484 177.005 176.519 0.004 0.000 0.690 101 W CA -1.833 55.604 57.345 0.152 0.000 1.989 101 W CB -0.995 28.526 29.460 0.103 0.000 1.903 101 W HN -0.121 nan 8.180 nan 0.000 0.364 102 A N 1.784 124.687 122.820 0.140 0.000 2.475 102 A HA 0.305 4.623 4.320 -0.003 0.000 0.239 102 A C 1.402 178.908 177.584 -0.130 0.000 1.087 102 A CA 0.598 52.540 52.037 -0.158 0.000 0.779 102 A CB 0.418 19.108 19.000 -0.517 0.000 1.036 102 A HN 0.651 nan 8.150 nan 0.000 0.506 103 R N -0.745 119.628 120.500 -0.211 0.000 2.532 103 R HA 0.253 4.592 4.340 -0.003 0.000 0.312 103 R C -0.962 175.359 176.300 0.034 0.000 0.923 103 R CA 0.289 56.367 56.100 -0.037 0.000 1.115 103 R CB 0.813 31.103 30.300 -0.017 0.000 1.703 103 R HN 0.546 nan 8.270 nan 0.000 0.498 104 D N -0.078 120.252 120.400 -0.116 0.000 2.419 104 D HA 0.127 4.765 4.640 -0.003 0.000 0.219 104 D C -0.597 175.726 176.300 0.039 0.000 1.349 104 D CA -0.446 53.599 54.000 0.074 0.000 0.964 104 D CB 0.762 41.602 40.800 0.067 0.000 1.463 104 D HN -0.003 nan 8.370 nan 0.000 0.573 105 F N 1.767 121.921 119.950 0.340 0.000 2.558 105 F HA 0.080 4.605 4.527 -0.003 0.000 0.298 105 F C 2.089 178.170 175.800 0.469 0.000 1.119 105 F CA 0.615 58.845 58.000 0.383 0.000 1.451 105 F CB 0.290 39.562 39.000 0.454 0.000 1.091 105 F HN 0.080 nan 8.300 nan 0.000 0.563 106 K N 0.101 120.729 120.400 0.380 0.000 2.437 106 K HA 0.121 4.440 4.320 -0.003 0.000 0.198 106 K C -0.176 176.510 176.600 0.144 0.000 1.024 106 K CA 0.256 56.651 56.287 0.182 0.000 1.148 106 K CB 0.109 32.609 32.500 -0.001 0.000 0.860 106 K HN 0.094 nan 8.250 nan 0.000 0.515 107 K N -0.886 119.665 120.400 0.253 0.000 2.439 107 K HA 0.329 4.647 4.320 -0.003 0.000 0.260 107 K C -0.560 176.227 176.600 0.312 0.000 1.032 107 K CA -0.917 55.478 56.287 0.181 0.000 0.882 107 K CB 1.827 34.376 32.500 0.081 0.000 1.420 107 K HN -0.029 nan 8.250 nan 0.000 0.455 108 T N -1.689 113.021 114.554 0.261 0.000 2.912 108 T HA 0.241 4.589 4.350 -0.003 0.000 0.280 108 T C 0.074 174.813 174.700 0.066 0.000 0.989 108 T CA -0.857 61.434 62.100 0.319 0.000 0.995 108 T CB 0.871 70.032 68.868 0.487 0.000 1.077 108 T HN 0.416 nan 8.240 nan 0.000 0.531 109 N N 1.949 120.637 118.700 -0.020 0.000 2.401 109 N HA 0.221 4.959 4.740 -0.003 0.000 0.255 109 N C -1.841 173.445 175.510 -0.374 0.000 1.110 109 N CA -2.194 50.686 53.050 -0.282 0.000 0.949 109 N CB 1.120 39.341 38.487 -0.444 0.000 1.110 109 N HN 0.300 nan 8.380 nan 0.000 0.490 110 P HA -0.089 nan 4.420 nan 0.000 0.218 110 P C 0.577 177.608 177.300 -0.448 0.000 1.149 110 P CA 1.225 64.078 63.100 -0.412 0.000 0.817 110 P CB 0.015 31.440 31.700 -0.457 0.000 0.785 111 Y N -2.189 117.905 120.300 -0.342 0.000 2.421 111 Y HA -0.069 4.479 4.550 -0.003 0.000 0.292 111 Y C 2.044 177.793 175.900 -0.252 0.000 1.136 111 Y CA 0.502 58.373 58.100 -0.381 0.000 1.255 111 Y CB -1.302 36.792 38.460 -0.610 0.000 0.991 111 Y HN -0.072 nan 8.280 nan 0.000 0.552 112 F N -1.013 118.705 119.950 -0.387 0.000 2.317 112 F HA 0.435 4.960 4.527 -0.002 0.000 0.293 112 F C 1.475 176.722 175.800 -0.921 0.000 1.085 112 F CA 0.532 58.032 58.000 -0.832 0.000 1.390 112 F CB -0.551 37.630 39.000 -1.365 0.000 1.077 112 F HN -0.046 nan 8.300 nan 0.000 0.517 113 G N -0.981 107.508 108.800 -0.519 0.000 2.324 113 G HA2 0.355 4.314 3.960 -0.003 0.000 0.293 113 G HA3 0.355 4.314 3.960 -0.003 0.000 0.293 113 G C -0.668 174.319 174.900 0.145 0.000 1.297 113 G CA -0.359 44.723 45.100 -0.030 0.000 0.853 113 G HN 0.199 nan 8.290 nan 0.000 0.535 114 T N -2.014 112.716 114.554 0.292 0.000 2.867 114 T HA 0.496 4.845 4.350 -0.003 0.000 0.286 114 T C 1.518 176.472 174.700 0.423 0.000 1.022 114 T CA -0.250 62.012 62.100 0.270 0.000 0.933 114 T CB 0.852 69.823 68.868 0.172 0.000 1.280 114 T HN 0.282 nan 8.240 nan 0.000 0.566 115 M N 0.241 120.014 119.600 0.289 0.000 2.254 115 M HA 0.127 4.605 4.480 -0.003 0.000 0.265 115 M C 2.526 178.989 176.300 0.273 0.000 1.066 115 M CA 1.433 56.902 55.300 0.280 0.000 1.123 115 M CB -1.835 30.842 32.600 0.129 0.000 1.388 115 M HN 0.913 nan 8.290 nan 0.000 0.425 116 A N -0.327 122.617 122.820 0.206 0.000 1.970 116 A HA -0.117 4.201 4.320 -0.003 0.000 0.216 116 A C 1.873 179.563 177.584 0.178 0.000 1.170 116 A CA 1.341 53.471 52.037 0.155 0.000 0.645 116 A CB -0.457 18.608 19.000 0.109 0.000 0.816 116 A HN 0.357 nan 8.150 nan 0.000 0.447 117 D N -0.946 119.611 120.400 0.261 0.000 2.117 117 D HA -0.115 4.524 4.640 -0.003 0.000 0.198 117 D C 1.590 178.058 176.300 0.280 0.000 0.982 117 D CA 1.004 55.183 54.000 0.299 0.000 0.828 117 D CB -0.350 40.707 40.800 0.428 0.000 0.967 117 D HN 0.409 nan 8.370 nan 0.000 0.464 118 F N 2.011 122.084 119.950 0.206 0.000 2.046 118 F HA -0.246 4.280 4.527 -0.002 0.000 0.297 118 F C 2.510 178.249 175.800 -0.103 0.000 1.123 118 F CA 1.741 59.654 58.000 -0.144 0.000 1.199 118 F CB -0.390 38.572 39.000 -0.063 0.000 0.972 118 F HN -0.073 nan 8.300 nan 0.000 0.474 119 Q N -0.125 119.716 119.800 0.068 0.000 2.096 119 Q HA -0.325 4.013 4.340 -0.003 0.000 0.208 119 Q C 2.044 177.964 176.000 -0.133 0.000 0.993 119 Q CA 2.148 57.928 55.803 -0.039 0.000 0.862 119 Q CB -0.745 28.021 28.738 0.047 0.000 0.915 119 Q HN 0.580 nan 8.270 nan 0.000 0.416 120 N N 0.358 119.020 118.700 -0.063 0.000 2.060 120 N HA -0.208 4.530 4.740 -0.003 0.000 0.195 120 N C 1.728 177.161 175.510 -0.129 0.000 1.028 120 N CA 1.062 54.078 53.050 -0.058 0.000 0.861 120 N CB -0.113 38.382 38.487 0.013 0.000 1.029 120 N HN 0.175 nan 8.380 nan 0.000 0.428 121 L N 0.506 121.596 121.223 -0.222 0.000 1.994 121 L HA -0.174 4.164 4.340 -0.003 0.000 0.208 121 L C 1.849 178.504 176.870 -0.358 0.000 1.071 121 L CA 0.954 55.622 54.840 -0.287 0.000 0.745 121 L CB -0.319 41.460 42.059 -0.466 0.000 0.892 121 L HN 0.281 nan 8.230 nan 0.000 0.431 122 I N -0.229 120.031 120.570 -0.516 0.000 2.236 122 I HA -0.342 3.826 4.170 -0.003 0.000 0.249 122 I C 2.390 178.131 176.117 -0.626 0.000 1.102 122 I CA 2.004 62.946 61.300 -0.596 0.000 1.365 122 I CB -1.732 35.959 38.000 -0.515 0.000 1.051 122 I HN 0.381 nan 8.210 nan 0.000 0.420 123 T N -0.086 114.260 114.554 -0.347 0.000 2.814 123 T HA -0.075 4.273 4.350 -0.003 0.000 0.254 123 T C 1.857 176.488 174.700 -0.115 0.000 1.037 123 T CA 1.672 63.653 62.100 -0.199 0.000 1.143 123 T CB -0.439 68.359 68.868 -0.118 0.000 0.866 123 T HN 0.282 nan 8.240 nan 0.000 0.431 124 T N 2.085 116.585 114.554 -0.089 0.000 2.897 124 T HA -0.020 4.328 4.350 -0.003 0.000 0.271 124 T C 2.179 176.870 174.700 -0.015 0.000 1.084 124 T CA 1.035 63.116 62.100 -0.032 0.000 1.123 124 T CB -0.398 68.462 68.868 -0.013 0.000 0.865 124 T HN 0.416 nan 8.240 nan 0.000 0.496 125 A N 1.221 124.005 122.820 -0.059 0.000 1.831 125 A HA -0.048 4.271 4.320 -0.003 0.000 0.213 125 A C 1.900 179.534 177.584 0.084 0.000 1.223 125 A CA 1.142 53.174 52.037 -0.008 0.000 0.604 125 A CB -0.983 17.988 19.000 -0.049 0.000 0.878 125 A HN 0.632 nan 8.150 nan 0.000 0.450 126 H N -0.429 118.610 119.070 -0.051 0.000 2.457 126 H HA -0.078 4.477 4.556 -0.003 0.000 0.297 126 H C 2.421 177.729 175.328 -0.034 0.000 1.092 126 H CA 0.490 56.510 56.048 -0.045 0.000 1.309 126 H CB 0.009 29.744 29.762 -0.044 0.000 1.382 126 H HN 0.560 nan 8.280 nan 0.000 0.535 127 A N 1.537 124.412 122.820 0.093 0.000 1.892 127 A HA -0.191 4.128 4.320 -0.003 0.000 0.218 127 A C 1.896 179.501 177.584 0.034 0.000 1.188 127 A CA 1.517 53.582 52.037 0.046 0.000 0.631 127 A CB -0.184 18.832 19.000 0.027 0.000 0.822 127 A HN 0.285 nan 8.150 nan 0.000 0.447 128 K N -1.051 119.372 120.400 0.038 0.000 2.577 128 K HA 0.288 4.606 4.320 -0.003 0.000 0.210 128 K C 0.617 177.227 176.600 0.017 0.000 1.048 128 K CA 0.345 56.650 56.287 0.031 0.000 1.188 128 K CB -0.235 32.293 32.500 0.048 0.000 0.910 128 K HN 0.629 nan 8.250 nan 0.000 0.483 129 G N 2.032 110.837 108.800 0.008 0.000 2.323 129 G HA2 -0.263 3.696 3.960 -0.003 0.000 0.292 129 G HA3 -0.263 3.696 3.960 -0.003 0.000 0.292 129 G C -0.094 174.784 174.900 -0.037 0.000 1.040 129 G CA 0.096 45.177 45.100 -0.032 0.000 0.942 129 G HN 0.352 nan 8.290 nan 0.000 0.506 130 I N 0.101 120.673 120.570 0.002 0.000 2.382 130 I HA 0.279 4.447 4.170 -0.003 0.000 0.286 130 I C 0.597 176.732 176.117 0.030 0.000 1.002 130 I CA -0.830 60.465 61.300 -0.008 0.000 1.135 130 I CB 1.375 39.365 38.000 -0.016 0.000 1.288 130 I HN 0.003 nan 8.210 nan 0.000 0.448 131 K N 5.816 126.204 120.400 -0.020 0.000 2.326 131 K HA 0.388 4.707 4.320 -0.003 0.000 0.275 131 K C -0.464 176.225 176.600 0.147 0.000 1.018 131 K CA -0.429 55.876 56.287 0.029 0.000 0.962 131 K CB 1.121 33.558 32.500 -0.105 0.000 0.953 131 K HN 0.360 nan 8.250 nan 0.000 0.475 132 I N 2.743 123.436 120.570 0.204 0.000 2.428 132 I HA 0.261 4.430 4.170 -0.003 0.000 0.296 132 I C -0.193 176.070 176.117 0.242 0.000 0.985 132 I CA -0.622 60.775 61.300 0.163 0.000 1.260 132 I CB 1.593 39.615 38.000 0.037 0.000 1.389 132 I HN 0.267 nan 8.210 nan 0.000 0.484 133 V N 6.747 126.800 119.914 0.231 0.000 2.686 133 V HA 0.466 4.584 4.120 -0.003 0.000 0.306 133 V C -0.202 176.020 176.094 0.213 0.000 1.065 133 V CA -0.648 61.784 62.300 0.220 0.000 0.894 133 V CB 2.338 34.271 31.823 0.183 0.000 1.004 133 V HN 0.611 nan 8.190 nan 0.000 0.424 134 I N 0.005 120.673 120.570 0.162 0.000 2.750 134 I HA 0.767 4.935 4.170 -0.003 0.000 0.308 134 I C -0.436 175.776 176.117 0.159 0.000 1.016 134 I CA -0.589 60.821 61.300 0.182 0.000 1.098 134 I CB 1.468 39.549 38.000 0.135 0.000 1.279 134 I HN 0.355 nan 8.210 nan 0.000 0.454 135 D N 2.308 122.852 120.400 0.239 0.000 2.255 135 D HA 0.529 5.168 4.640 -0.003 0.000 0.249 135 D C -1.508 175.009 176.300 0.362 0.000 1.078 135 D CA 0.487 54.650 54.000 0.273 0.000 0.896 135 D CB 1.083 42.057 40.800 0.289 0.000 1.194 135 D HN 0.446 nan 8.370 nan 0.000 0.429 136 F N 1.038 121.071 119.950 0.137 0.000 2.588 136 F HA 0.515 5.041 4.527 -0.002 0.000 0.318 136 F C -0.814 175.081 175.800 0.159 0.000 1.155 136 F CA -0.958 57.146 58.000 0.173 0.000 0.967 136 F CB 1.741 40.851 39.000 0.182 0.000 1.236 136 F HN 0.328 nan 8.300 nan 0.000 0.455 137 A N 7.061 129.853 122.820 -0.047 0.000 3.158 137 A HA 0.423 4.741 4.320 -0.003 0.000 0.319 137 A C -2.095 175.327 177.584 -0.271 0.000 1.204 137 A CA -1.139 50.849 52.037 -0.082 0.000 0.992 137 A CB -0.599 18.422 19.000 0.035 0.000 1.110 137 A HN 0.465 nan 8.150 nan 0.000 0.519 138 P HA -0.112 nan 4.420 nan 0.000 0.251 138 P C 0.472 177.538 177.300 -0.391 0.000 1.251 138 P CA 0.772 63.268 63.100 -1.006 0.000 0.763 138 P CB 0.158 31.097 31.700 -1.269 0.000 1.067 139 N N 0.537 119.169 118.700 -0.114 0.000 2.402 139 N HA -0.059 4.679 4.740 -0.003 0.000 0.174 139 N C 0.673 176.350 175.510 0.278 0.000 1.027 139 N CA 0.326 53.441 53.050 0.107 0.000 0.891 139 N CB 0.174 38.683 38.487 0.037 0.000 1.016 139 N HN 0.317 nan 8.380 nan 0.000 0.439 140 H N -4.458 114.742 119.070 0.217 0.000 2.932 140 H HA 0.236 4.790 4.556 -0.002 0.000 0.307 140 H C -0.201 175.146 175.328 0.031 0.000 1.391 140 H CA -0.107 55.876 56.048 -0.108 0.000 1.130 140 H CB 0.674 30.388 29.762 -0.080 0.000 1.836 140 H HN 0.020 nan 8.280 nan 0.000 0.522 141 T N -0.478 114.097 114.554 0.034 0.000 3.523 141 T HA 0.315 4.663 4.350 -0.003 0.000 0.216 141 T C 0.766 175.590 174.700 0.207 0.000 0.922 141 T CA 0.912 63.087 62.100 0.125 0.000 1.558 141 T CB -0.573 68.270 68.868 -0.042 0.000 1.424 141 T HN 0.837 nan 8.240 nan 0.000 0.452 142 S N 0.661 116.346 115.700 -0.026 0.000 2.705 142 S HA 0.684 5.153 4.470 -0.003 0.000 0.280 142 S C -3.334 171.061 174.600 -0.341 0.000 1.174 142 S CA -1.590 56.544 58.200 -0.109 0.000 0.823 142 S CB 1.081 64.237 63.200 -0.074 0.000 1.162 142 S HN 0.282 nan 8.310 nan 0.000 0.487 143 P HA 0.581 nan 4.420 nan 0.000 0.271 143 P C -1.047 176.171 177.300 -0.137 0.000 1.218 143 P CA 0.080 63.008 63.100 -0.288 0.000 0.780 143 P CB 0.687 32.249 31.700 -0.230 0.000 0.901 144 A N 2.530 125.291 122.820 -0.099 0.000 2.599 144 A HA 0.645 4.964 4.320 -0.003 0.000 0.294 144 A C -1.393 176.126 177.584 -0.109 0.000 1.055 144 A CA -0.598 51.434 52.037 -0.009 0.000 0.683 144 A CB 0.897 19.754 19.000 -0.239 0.000 1.278 144 A HN 0.390 nan 8.150 nan 0.000 0.412 145 M N 1.423 121.037 119.600 0.023 0.000 2.294 145 M HA 0.318 4.797 4.480 -0.003 0.000 0.335 145 M C 0.920 177.306 176.300 0.143 0.000 1.079 145 M CA -0.405 54.877 55.300 -0.031 0.000 0.982 145 M CB 1.876 34.362 32.600 -0.190 0.000 1.651 145 M HN 1.046 nan 8.290 nan 0.000 0.437 146 E N 1.318 121.640 120.200 0.204 0.000 2.047 146 E HA -0.156 4.193 4.350 -0.003 0.000 0.191 146 E C 1.494 178.102 176.600 0.014 0.000 0.987 146 E CA 2.241 58.705 56.400 0.106 0.000 0.799 146 E CB 0.306 30.031 29.700 0.041 0.000 0.752 146 E HN 0.864 nan 8.360 nan 0.000 0.449 147 T N -1.911 112.640 114.554 -0.005 0.000 3.051 147 T HA -0.119 4.230 4.350 -0.003 0.000 0.269 147 T C 0.317 175.010 174.700 -0.011 0.000 1.127 147 T CA 1.126 63.212 62.100 -0.023 0.000 1.107 147 T CB -0.069 68.778 68.868 -0.035 0.000 0.898 147 T HN 0.032 nan 8.240 nan 0.000 0.517 148 D N 0.799 121.204 120.400 0.008 0.000 2.346 148 D HA 0.311 4.950 4.640 -0.003 0.000 0.255 148 D C 1.025 177.369 176.300 0.073 0.000 1.276 148 D CA -0.256 53.760 54.000 0.027 0.000 0.941 148 D CB 1.126 41.928 40.800 0.004 0.000 1.199 148 D HN 0.080 nan 8.370 nan 0.000 0.537 149 T N -0.957 113.629 114.554 0.054 0.000 2.881 149 T HA -0.172 4.176 4.350 -0.003 0.000 0.270 149 T C 1.801 176.536 174.700 0.059 0.000 1.068 149 T CA 1.104 63.237 62.100 0.055 0.000 1.131 149 T CB -0.164 68.722 68.868 0.031 0.000 0.871 149 T HN 0.287 nan 8.240 nan 0.000 0.479 150 S N 0.877 116.615 115.700 0.064 0.000 2.474 150 S HA 0.090 4.558 4.470 -0.003 0.000 0.235 150 S C 0.383 175.022 174.600 0.065 0.000 0.997 150 S CA -0.162 58.070 58.200 0.053 0.000 0.949 150 S CB -0.654 62.574 63.200 0.048 0.000 0.766 150 S HN 0.566 nan 8.310 nan 0.000 0.517 151 F N 3.184 123.094 119.950 -0.067 0.000 2.420 151 F HA 0.572 5.098 4.527 -0.003 0.000 0.352 151 F C 0.952 176.680 175.800 -0.121 0.000 1.108 151 F CA -0.584 57.352 58.000 -0.106 0.000 1.162 151 F CB 0.037 38.966 39.000 -0.118 0.000 1.118 151 F HN 0.324 nan 8.300 nan 0.000 0.510 152 A N 4.766 127.095 122.820 -0.817 0.000 5.476 152 A HA -0.359 3.960 4.320 -0.003 0.000 0.327 152 A C 1.094 178.523 177.584 -0.258 0.000 1.778 152 A CA 1.644 53.306 52.037 -0.626 0.000 0.721 152 A CB -1.392 17.085 19.000 -0.871 0.000 1.388 152 A HN 0.824 nan 8.150 nan 0.000 0.397 153 E N 1.141 121.236 120.200 -0.176 0.000 2.437 153 E HA 0.189 4.538 4.350 -0.003 0.000 0.195 153 E C 0.395 176.969 176.600 -0.044 0.000 1.029 153 E CA 0.361 56.728 56.400 -0.055 0.000 0.948 153 E CB -0.121 29.583 29.700 0.006 0.000 1.082 153 E HN 0.650 nan 8.360 nan 0.000 0.456 154 N N 0.725 119.388 118.700 -0.062 0.000 2.727 154 N HA -0.249 4.489 4.740 -0.003 0.000 0.249 154 N C 0.707 176.158 175.510 -0.098 0.000 1.048 154 N CA 0.458 53.493 53.050 -0.024 0.000 0.714 154 N CB -0.975 37.529 38.487 0.028 0.000 0.959 154 N HN 0.565 nan 8.380 nan 0.000 0.544 155 G N 0.074 108.761 108.800 -0.188 0.000 2.186 155 G HA2 -0.373 3.585 3.960 -0.003 0.000 0.266 155 G HA3 -0.373 3.585 3.960 -0.003 0.000 0.266 155 G C 0.261 175.066 174.900 -0.158 0.000 0.982 155 G CA 0.734 45.657 45.100 -0.296 0.000 0.670 155 G HN 0.663 nan 8.290 nan 0.000 0.533 156 R N -0.536 119.922 120.500 -0.070 0.000 2.494 156 R HA 0.203 4.541 4.340 -0.003 0.000 0.291 156 R C 0.111 176.382 176.300 -0.049 0.000 0.953 156 R CA 0.108 56.158 56.100 -0.084 0.000 1.098 156 R CB 0.255 30.469 30.300 -0.142 0.000 0.911 156 R HN 0.338 nan 8.270 nan 0.000 0.407 157 L N 5.185 126.381 121.223 -0.045 0.000 2.305 157 L HA 0.337 4.676 4.340 -0.003 0.000 0.284 157 L C -1.488 175.304 176.870 -0.129 0.000 1.013 157 L CA -0.489 54.371 54.840 0.033 0.000 0.819 157 L CB 1.000 43.120 42.059 0.102 0.000 1.227 157 L HN 0.354 nan 8.230 nan 0.000 0.417 158 Y N 2.635 122.983 120.300 0.079 0.000 2.341 158 Y HA 0.427 4.975 4.550 -0.002 0.000 0.337 158 Y C -0.116 175.895 175.900 0.185 0.000 1.014 158 Y CA -0.725 57.430 58.100 0.091 0.000 1.111 158 Y CB 1.246 39.741 38.460 0.058 0.000 1.194 158 Y HN 0.566 nan 8.280 nan 0.000 0.462 159 D N 2.949 123.551 120.400 0.336 0.000 2.313 159 D HA 0.077 4.715 4.640 -0.003 0.000 0.239 159 D C 0.326 176.739 176.300 0.187 0.000 1.142 159 D CA -0.161 54.042 54.000 0.339 0.000 0.847 159 D CB 0.274 41.233 40.800 0.266 0.000 1.082 159 D HN 0.578 nan 8.370 nan 0.000 0.480 160 N N 3.315 122.098 118.700 0.137 0.000 2.677 160 N HA -0.278 4.461 4.740 -0.003 0.000 0.249 160 N C 0.970 176.524 175.510 0.075 0.000 1.073 160 N CA 1.960 55.055 53.050 0.075 0.000 0.737 160 N CB -0.941 37.560 38.487 0.023 0.000 0.999 160 N HN 0.818 nan 8.380 nan 0.000 0.543 161 G N -3.598 105.267 108.800 0.108 0.000 2.424 161 G HA2 -0.249 3.710 3.960 -0.003 0.000 0.207 161 G HA3 -0.249 3.710 3.960 -0.003 0.000 0.207 161 G C 0.172 175.181 174.900 0.182 0.000 1.061 161 G CA 0.133 45.277 45.100 0.074 0.000 0.657 161 G HN 0.576 nan 8.290 nan 0.000 0.508 162 T N 2.569 117.226 114.554 0.171 0.000 2.769 162 T HA 0.462 4.811 4.350 -0.003 0.000 0.293 162 T C 0.300 175.125 174.700 0.208 0.000 0.931 162 T CA 0.089 62.292 62.100 0.171 0.000 1.139 162 T CB 1.547 70.478 68.868 0.105 0.000 0.881 162 T HN 0.672 nan 8.240 nan 0.000 0.532 163 L N 6.175 127.518 121.223 0.199 0.000 2.456 163 L HA 0.160 4.499 4.340 -0.003 0.000 0.277 163 L C 1.106 177.961 176.870 -0.025 0.000 1.124 163 L CA 0.205 55.046 54.840 0.002 0.000 0.880 163 L CB 0.336 42.315 42.059 -0.133 0.000 1.192 163 L HN 0.513 nan 8.230 nan 0.000 0.463 164 V N 4.429 124.308 119.914 -0.058 0.000 2.407 164 V HA 0.366 4.484 4.120 -0.003 0.000 0.245 164 V C 1.160 177.239 176.094 -0.025 0.000 1.041 164 V CA 0.910 63.161 62.300 -0.082 0.000 1.040 164 V CB -1.065 30.616 31.823 -0.236 0.000 0.671 164 V HN 1.017 nan 8.190 nan 0.000 0.455 165 G N -1.676 107.100 108.800 -0.041 0.000 2.368 165 G HA2 0.479 4.438 3.960 -0.003 0.000 0.303 165 G HA3 0.479 4.438 3.960 -0.003 0.000 0.303 165 G C -0.581 174.432 174.900 0.189 0.000 1.590 165 G CA -0.316 44.852 45.100 0.114 0.000 0.938 165 G HN 0.485 nan 8.290 nan 0.000 0.675 166 G N -1.124 107.772 108.800 0.161 0.000 2.753 166 G HA2 0.523 4.481 3.960 -0.003 0.000 0.285 166 G HA3 0.523 4.481 3.960 -0.003 0.000 0.285 166 G C 0.510 175.525 174.900 0.191 0.000 1.344 166 G CA -0.198 44.981 45.100 0.133 0.000 1.050 166 G HN 0.737 nan 8.290 nan 0.000 0.532 167 Y N 0.079 120.276 120.300 -0.170 0.000 2.184 167 Y HA 0.106 4.655 4.550 -0.002 0.000 0.290 167 Y C 2.001 177.924 175.900 0.039 0.000 1.129 167 Y CA 1.300 59.260 58.100 -0.233 0.000 1.144 167 Y CB -0.280 37.935 38.460 -0.408 0.000 0.995 167 Y HN 0.322 nan 8.280 nan 0.000 0.513 168 T N 1.973 116.523 114.554 -0.006 0.000 2.918 168 T HA 0.058 4.407 4.350 -0.003 0.000 0.302 168 T C -0.136 174.530 174.700 -0.057 0.000 1.045 168 T CA 0.081 62.137 62.100 -0.074 0.000 1.114 168 T CB 0.168 69.028 68.868 -0.014 0.000 0.965 168 T HN 0.396 nan 8.240 nan 0.000 0.540 169 N N 1.755 120.389 118.700 -0.109 0.000 2.688 169 N HA -0.159 4.579 4.740 -0.003 0.000 0.258 169 N C -1.038 174.443 175.510 -0.048 0.000 1.016 169 N CA 0.362 53.359 53.050 -0.088 0.000 0.747 169 N CB -0.530 37.926 38.487 -0.051 0.000 0.895 169 N HN 0.588 nan 8.380 nan 0.000 0.543 170 D N -0.694 119.666 120.400 -0.066 0.000 2.638 170 D HA 0.232 4.871 4.640 -0.003 0.000 0.245 170 D C 0.846 177.086 176.300 -0.101 0.000 1.176 170 D CA -0.244 53.767 54.000 0.019 0.000 0.996 170 D CB 0.043 40.997 40.800 0.257 0.000 1.012 170 D HN 0.314 nan 8.370 nan 0.000 0.515 171 T N 0.092 114.574 114.554 -0.120 0.000 2.929 171 T HA -0.119 4.229 4.350 -0.003 0.000 0.271 171 T C 1.427 176.004 174.700 -0.204 0.000 1.085 171 T CA 0.668 62.681 62.100 -0.145 0.000 1.125 171 T CB 0.040 68.844 68.868 -0.107 0.000 0.874 171 T HN 0.319 nan 8.240 nan 0.000 0.494 172 N N 1.025 119.525 118.700 -0.333 0.000 2.415 172 N HA 0.123 4.861 4.740 -0.003 0.000 0.176 172 N C 1.344 176.540 175.510 -0.523 0.000 1.042 172 N CA 0.787 53.517 53.050 -0.533 0.000 0.902 172 N CB 0.072 37.906 38.487 -1.087 0.000 0.986 172 N HN 0.584 nan 8.380 nan 0.000 0.447 173 G N 1.306 109.877 108.800 -0.382 0.000 2.326 173 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.286 173 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.286 173 G C -0.026 174.711 174.900 -0.273 0.000 1.096 173 G CA -0.160 44.827 45.100 -0.187 0.000 1.003 173 G HN 0.302 nan 8.290 nan 0.000 0.503 174 Y N -1.220 118.962 120.300 -0.197 0.000 2.583 174 Y HA 0.418 4.966 4.550 -0.002 0.000 0.293 174 Y C 1.213 176.649 175.900 -0.773 0.000 1.157 174 Y CA -0.092 57.697 58.100 -0.518 0.000 1.315 174 Y CB 0.012 38.081 38.460 -0.652 0.000 1.021 174 Y HN 0.399 nan 8.280 nan 0.000 0.536 175 F N -2.287 117.621 119.950 -0.070 0.000 2.576 175 F HA 0.375 4.901 4.527 -0.003 0.000 0.313 175 F C -0.149 175.389 175.800 -0.437 0.000 1.078 175 F CA -1.846 56.011 58.000 -0.237 0.000 0.921 175 F CB 0.827 39.728 39.000 -0.165 0.000 1.232 175 F HN -0.214 nan 8.300 nan 0.000 0.459 176 H N 2.313 121.392 119.070 0.015 0.000 3.046 176 H HA 0.112 4.666 4.556 -0.003 0.000 0.303 176 H C -0.310 174.976 175.328 -0.071 0.000 1.002 176 H CA 0.424 56.470 56.048 -0.003 0.000 1.460 176 H CB 0.098 29.887 29.762 0.046 0.000 1.493 176 H HN 0.444 nan 8.280 nan 0.000 0.559 177 H N 3.561 122.739 119.070 0.180 0.000 2.351 177 H HA 0.117 4.671 4.556 -0.002 0.000 0.232 177 H C 0.018 175.378 175.328 0.054 0.000 1.452 177 H CA -0.143 55.950 56.048 0.075 0.000 1.236 177 H CB -0.014 29.692 29.762 -0.092 0.000 1.579 177 H HN 0.720 nan 8.280 nan 0.000 0.535 178 N N 0.551 119.338 118.700 0.144 0.000 2.234 178 N HA 0.220 4.959 4.740 -0.003 0.000 0.227 178 N C 0.737 176.255 175.510 0.015 0.000 1.151 178 N CA 0.305 53.391 53.050 0.060 0.000 0.865 178 N CB 1.340 39.852 38.487 0.040 0.000 1.066 178 N HN 0.640 nan 8.380 nan 0.000 0.515 179 G N -0.568 108.252 108.800 0.032 0.000 2.796 179 G HA2 -0.057 3.902 3.960 -0.003 0.000 0.571 179 G HA3 -0.057 3.902 3.960 -0.003 0.000 0.571 179 G C -0.088 174.787 174.900 -0.042 0.000 1.370 179 G CA -0.660 44.437 45.100 -0.005 0.000 0.856 179 G HN 0.325 nan 8.290 nan 0.000 0.538 180 G N -0.966 107.792 108.800 -0.069 0.000 2.410 180 G HA2 0.683 4.641 3.960 -0.003 0.000 0.330 180 G HA3 0.683 4.641 3.960 -0.003 0.000 0.330 180 G C 0.382 175.183 174.900 -0.164 0.000 1.142 180 G CA 1.038 46.064 45.100 -0.124 0.000 0.902 180 G HN 1.732 nan 8.290 nan 0.000 0.491 181 S N -0.808 114.710 115.700 -0.305 0.000 2.549 181 S HA 0.029 4.497 4.470 -0.003 0.000 0.286 181 S C 1.235 175.668 174.600 -0.280 0.000 1.314 181 S CA 0.451 58.380 58.200 -0.451 0.000 1.062 181 S CB 0.560 63.166 63.200 -0.990 0.000 0.865 181 S HN 0.712 nan 8.310 nan 0.000 0.498 182 D N 2.877 123.188 120.400 -0.148 0.000 2.367 182 D HA 0.094 4.733 4.640 -0.003 0.000 0.207 182 D C 0.253 176.711 176.300 0.264 0.000 1.034 182 D CA -0.084 53.958 54.000 0.070 0.000 0.861 182 D CB -0.384 40.430 40.800 0.024 0.000 0.943 182 D HN 0.555 nan 8.370 nan 0.000 0.515 183 F N -0.056 119.851 119.950 -0.073 0.000 2.988 183 F HA -0.285 4.241 4.527 -0.003 0.000 0.287 183 F C 1.589 177.368 175.800 -0.036 0.000 0.781 183 F CA 0.631 58.597 58.000 -0.057 0.000 1.221 183 F CB -2.650 36.319 39.000 -0.051 0.000 1.392 183 F HN 0.179 nan 8.300 nan 0.000 0.425 184 S N -1.672 114.076 115.700 0.080 0.000 2.515 184 S HA 0.249 4.717 4.470 -0.003 0.000 0.231 184 S C 0.812 175.436 174.600 0.041 0.000 0.987 184 S CA 0.606 58.839 58.200 0.056 0.000 0.936 184 S CB 0.216 63.431 63.200 0.025 0.000 0.766 184 S HN 0.874 nan 8.310 nan 0.000 0.528 185 S N -0.890 114.819 115.700 0.015 0.000 2.643 185 S HA 0.563 5.031 4.470 -0.003 0.000 0.270 185 S C 0.135 174.713 174.600 -0.037 0.000 1.166 185 S CA -0.765 57.442 58.200 0.011 0.000 0.815 185 S CB 0.794 63.996 63.200 0.003 0.000 1.139 185 S HN 0.047 nan 8.310 nan 0.000 0.472 186 L N 1.533 122.753 121.223 -0.005 0.000 2.046 186 L HA 0.038 4.377 4.340 -0.003 0.000 0.208 186 L C 2.692 179.434 176.870 -0.214 0.000 1.077 186 L CA 2.509 57.322 54.840 -0.044 0.000 0.747 186 L CB -0.625 41.514 42.059 0.135 0.000 0.896 186 L HN 1.009 nan 8.230 nan 0.000 0.432 187 E N -0.476 119.525 120.200 -0.333 0.000 2.038 187 E HA -0.324 4.025 4.350 -0.003 0.000 0.195 187 E C 1.959 178.382 176.600 -0.295 0.000 1.000 187 E CA 1.648 57.651 56.400 -0.662 0.000 0.803 187 E CB -0.271 29.021 29.700 -0.681 0.000 0.750 187 E HN 0.637 nan 8.360 nan 0.000 0.448 188 N N -0.441 118.131 118.700 -0.214 0.000 2.381 188 N HA -0.077 4.661 4.740 -0.003 0.000 0.182 188 N C 1.748 177.079 175.510 -0.297 0.000 1.025 188 N CA 1.357 54.288 53.050 -0.197 0.000 0.888 188 N CB -0.282 38.111 38.487 -0.156 0.000 0.965 188 N HN 0.195 nan 8.380 nan 0.000 0.438 189 G N -0.390 108.223 108.800 -0.312 0.000 2.509 189 G HA2 -0.041 3.918 3.960 -0.003 0.000 0.218 189 G HA3 -0.041 3.918 3.960 -0.003 0.000 0.218 189 G C 1.343 176.095 174.900 -0.246 0.000 1.124 189 G CA 0.521 45.414 45.100 -0.344 0.000 0.776 189 G HN 0.386 nan 8.290 nan 0.000 0.547 190 I N -1.708 118.658 120.570 -0.342 0.000 2.899 190 I HA 0.135 4.303 4.170 -0.003 0.000 0.257 190 I C 1.532 177.261 176.117 -0.646 0.000 1.115 190 I CA 0.280 61.284 61.300 -0.493 0.000 1.451 190 I CB 0.268 37.844 38.000 -0.707 0.000 1.251 190 I HN 0.067 nan 8.210 nan 0.000 0.456 191 Y N 1.167 121.232 120.300 -0.392 0.000 2.466 191 Y HA 0.248 4.796 4.550 -0.003 0.000 0.272 191 Y C 0.727 176.307 175.900 -0.534 0.000 1.169 191 Y CA -0.015 57.689 58.100 -0.661 0.000 1.285 191 Y CB -0.094 38.103 38.460 -0.438 0.000 1.078 191 Y HN -0.073 nan 8.280 nan 0.000 0.523 192 K N 0.430 120.675 120.400 -0.258 0.000 2.238 192 K HA 0.258 4.577 4.320 -0.003 0.000 0.239 192 K C -0.462 175.995 176.600 -0.239 0.000 0.987 192 K CA -1.142 55.025 56.287 -0.200 0.000 0.857 192 K CB 0.747 33.126 32.500 -0.203 0.000 1.154 192 K HN -0.080 nan 8.250 nan 0.000 0.439 193 N N 1.839 120.426 118.700 -0.187 0.000 2.412 193 N HA -0.048 4.690 4.740 -0.003 0.000 0.258 193 N C -0.287 175.005 175.510 -0.364 0.000 1.236 193 N CA 0.252 53.166 53.050 -0.227 0.000 0.882 193 N CB 0.309 38.674 38.487 -0.203 0.000 1.066 193 N HN 0.411 nan 8.380 nan 0.000 0.465 194 L N 4.997 125.958 121.223 -0.437 0.000 2.565 194 L HA -0.086 4.253 4.340 -0.003 0.000 0.275 194 L C 0.317 176.863 176.870 -0.540 0.000 1.137 194 L CA 0.234 54.672 54.840 -0.672 0.000 0.915 194 L CB -0.567 41.115 42.059 -0.629 0.000 1.232 194 L HN 0.581 nan 8.230 nan 0.000 0.473 195 Y N 1.686 121.894 120.300 -0.153 0.000 2.778 195 Y HA -0.450 4.098 4.550 -0.003 0.000 0.474 195 Y C 1.472 177.279 175.900 -0.156 0.000 1.113 195 Y CA 1.519 59.550 58.100 -0.114 0.000 2.828 195 Y CB -1.113 37.273 38.460 -0.123 0.000 1.132 195 Y HN 0.812 nan 8.280 nan 0.000 0.612 196 D N 0.303 120.716 120.400 0.022 0.000 2.540 196 D HA 0.232 4.870 4.640 -0.003 0.000 0.229 196 D C -0.401 175.772 176.300 -0.212 0.000 1.250 196 D CA 0.043 53.988 54.000 -0.092 0.000 0.817 196 D CB -0.544 40.245 40.800 -0.018 0.000 1.060 196 D HN 0.416 nan 8.370 nan 0.000 0.508 197 L N 1.562 122.626 121.223 -0.264 0.000 2.313 197 L HA 0.476 4.814 4.340 -0.003 0.000 0.282 197 L C 0.759 177.356 176.870 -0.456 0.000 1.092 197 L CA -0.817 53.785 54.840 -0.398 0.000 0.831 197 L CB 1.155 42.873 42.059 -0.568 0.000 1.159 197 L HN 0.022 nan 8.230 nan 0.000 0.442 198 A N 2.883 125.348 122.820 -0.592 0.000 2.537 198 A HA -0.015 4.304 4.320 -0.003 0.000 0.260 198 A C -0.021 177.352 177.584 -0.353 0.000 1.082 198 A CA -0.125 51.432 52.037 -0.800 0.000 0.765 198 A CB -0.355 17.936 19.000 -1.182 0.000 1.019 198 A HN 0.757 nan 8.150 nan 0.000 0.507 199 D N 2.359 122.675 120.400 -0.140 0.000 2.325 199 D HA 0.398 5.036 4.640 -0.003 0.000 0.251 199 D C -0.323 176.137 176.300 0.266 0.000 1.196 199 D CA 0.093 54.145 54.000 0.086 0.000 0.866 199 D CB 0.041 40.913 40.800 0.120 0.000 1.101 199 D HN 0.341 nan 8.370 nan 0.000 0.476 200 F N 2.699 122.747 119.950 0.163 0.000 2.607 200 F HA 0.051 4.577 4.527 -0.003 0.000 0.374 200 F C 1.346 176.844 175.800 -0.504 0.000 1.104 200 F CA -0.131 57.700 58.000 -0.280 0.000 1.296 200 F CB 0.140 38.782 39.000 -0.597 0.000 1.085 200 F HN 0.311 nan 8.300 nan 0.000 0.584 201 N N 2.540 121.001 118.700 -0.398 0.000 2.719 201 N HA 0.072 4.810 4.740 -0.003 0.000 0.243 201 N C 0.695 175.890 175.510 -0.524 0.000 1.104 201 N CA 0.041 52.754 53.050 -0.563 0.000 0.981 201 N CB -0.276 37.935 38.487 -0.460 0.000 1.290 201 N HN 0.494 nan 8.380 nan 0.000 0.513 202 H N 0.636 119.519 119.070 -0.313 0.000 2.423 202 H HA -0.040 4.515 4.556 -0.002 0.000 0.297 202 H C 1.677 176.868 175.328 -0.229 0.000 1.075 202 H CA 1.028 56.767 56.048 -0.514 0.000 1.342 202 H CB 0.271 29.455 29.762 -0.963 0.000 1.395 202 H HN 0.543 nan 8.280 nan 0.000 0.530 203 N N 1.398 120.106 118.700 0.013 0.000 2.443 203 N HA -0.152 4.587 4.740 -0.003 0.000 0.184 203 N C 0.058 175.580 175.510 0.019 0.000 1.037 203 N CA 0.155 53.248 53.050 0.072 0.000 0.896 203 N CB -0.174 38.377 38.487 0.107 0.000 0.959 203 N HN 0.349 nan 8.380 nan 0.000 0.442 204 N N 0.145 118.814 118.700 -0.052 0.000 2.416 204 N HA 0.128 4.866 4.740 -0.003 0.000 0.265 204 N C 0.954 176.466 175.510 0.003 0.000 1.195 204 N CA 0.033 53.064 53.050 -0.032 0.000 0.943 204 N CB 1.020 39.479 38.487 -0.047 0.000 1.115 204 N HN 0.102 nan 8.380 nan 0.000 0.481 205 A N 2.950 125.796 122.820 0.043 0.000 1.978 205 A HA -0.171 4.147 4.320 -0.003 0.000 0.220 205 A C 2.021 179.644 177.584 0.065 0.000 1.170 205 A CA 1.870 53.948 52.037 0.069 0.000 0.636 205 A CB -0.833 18.208 19.000 0.069 0.000 0.810 205 A HN 0.769 nan 8.150 nan 0.000 0.448 206 T N 0.524 115.119 114.554 0.069 0.000 2.652 206 T HA -0.141 4.208 4.350 -0.003 0.000 0.267 206 T C 1.742 176.402 174.700 -0.067 0.000 1.039 206 T CA 1.561 63.677 62.100 0.026 0.000 1.153 206 T CB -0.287 68.598 68.868 0.028 0.000 0.863 206 T HN 0.321 nan 8.240 nan 0.000 0.428 207 I N 1.740 122.207 120.570 -0.172 0.000 2.315 207 I HA -0.083 4.085 4.170 -0.003 0.000 0.248 207 I C 2.374 178.446 176.117 -0.075 0.000 1.117 207 I CA 1.124 62.217 61.300 -0.345 0.000 1.404 207 I CB -1.289 36.376 38.000 -0.559 0.000 1.071 207 I HN 0.273 nan 8.210 nan 0.000 0.419 208 D N 1.171 121.598 120.400 0.046 0.000 2.097 208 D HA -0.266 4.372 4.640 -0.003 0.000 0.195 208 D C 2.158 178.645 176.300 0.312 0.000 0.989 208 D CA 1.624 55.794 54.000 0.282 0.000 0.827 208 D CB 0.089 41.063 40.800 0.290 0.000 0.966 208 D HN 0.065 nan 8.370 nan 0.000 0.456 209 K N -0.593 119.918 120.400 0.185 0.000 2.009 209 K HA -0.242 4.077 4.320 -0.003 0.000 0.210 209 K C 2.230 178.924 176.600 0.157 0.000 1.049 209 K CA 1.600 57.979 56.287 0.153 0.000 0.929 209 K CB -1.282 31.275 32.500 0.095 0.000 0.714 209 K HN 0.321 nan 8.250 nan 0.000 0.440 210 Y N -0.119 120.144 120.300 -0.061 0.000 2.114 210 Y HA -0.227 4.322 4.550 -0.002 0.000 0.282 210 Y C 1.704 177.537 175.900 -0.111 0.000 1.165 210 Y CA 2.147 60.141 58.100 -0.176 0.000 1.148 210 Y CB -0.460 37.733 38.460 -0.445 0.000 0.972 210 Y HN 0.133 nan 8.280 nan 0.000 0.504 211 F N 0.342 120.462 119.950 0.282 0.000 2.367 211 F HA -0.039 4.486 4.527 -0.003 0.000 0.298 211 F C 2.108 178.159 175.800 0.419 0.000 1.094 211 F CA 1.276 59.438 58.000 0.270 0.000 1.409 211 F CB -0.326 38.726 39.000 0.087 0.000 1.064 211 F HN 0.006 nan 8.300 nan 0.000 0.528 212 K N -0.122 120.628 120.400 0.583 0.000 2.031 212 K HA -0.132 4.186 4.320 -0.003 0.000 0.205 212 K C 1.567 178.310 176.600 0.238 0.000 1.049 212 K CA 1.581 58.152 56.287 0.473 0.000 0.939 212 K CB -0.320 32.359 32.500 0.298 0.000 0.717 212 K HN 0.059 nan 8.250 nan 0.000 0.438 213 D N 0.996 121.477 120.400 0.135 0.000 2.178 213 D HA -0.120 4.518 4.640 -0.003 0.000 0.201 213 D C 1.807 178.116 176.300 0.015 0.000 0.980 213 D CA 1.265 55.269 54.000 0.007 0.000 0.842 213 D CB -0.175 40.584 40.800 -0.068 0.000 0.948 213 D HN 0.247 nan 8.370 nan 0.000 0.472 214 A N 0.180 123.061 122.820 0.101 0.000 1.968 214 A HA -0.070 4.249 4.320 -0.003 0.000 0.217 214 A C 2.105 179.971 177.584 0.470 0.000 1.169 214 A CA 0.570 52.758 52.037 0.252 0.000 0.638 214 A CB -0.315 18.908 19.000 0.371 0.000 0.812 214 A HN 0.165 nan 8.150 nan 0.000 0.446 215 I N -0.568 120.244 120.570 0.403 0.000 2.716 215 I HA -0.003 4.165 4.170 -0.003 0.000 0.259 215 I C 1.920 178.096 176.117 0.098 0.000 1.172 215 I CA 1.106 62.529 61.300 0.206 0.000 1.478 215 I CB -0.237 37.805 38.000 0.069 0.000 1.104 215 I HN 0.176 nan 8.210 nan 0.000 0.439 216 K N -0.350 120.051 120.400 0.001 0.000 2.209 216 K HA -0.175 4.143 4.320 -0.003 0.000 0.204 216 K C 1.950 178.534 176.600 -0.027 0.000 1.048 216 K CA 1.155 57.382 56.287 -0.100 0.000 0.940 216 K CB -0.252 32.060 32.500 -0.312 0.000 0.729 216 K HN 0.225 nan 8.250 nan 0.000 0.451 217 L N -0.349 120.819 121.223 -0.091 0.000 2.017 217 L HA -0.150 4.188 4.340 -0.003 0.000 0.208 217 L C 1.606 178.278 176.870 -0.330 0.000 1.073 217 L CA 1.795 56.474 54.840 -0.269 0.000 0.745 217 L CB -0.301 41.494 42.059 -0.440 0.000 0.894 217 L HN 0.246 nan 8.230 nan 0.000 0.432 218 W N -0.909 120.405 121.300 0.023 0.000 2.443 218 W HA -0.006 4.652 4.660 -0.003 0.000 0.296 218 W C 2.338 178.901 176.519 0.073 0.000 1.202 218 W CA 0.574 57.928 57.345 0.016 0.000 1.312 218 W CB -0.244 29.208 29.460 -0.013 0.000 1.120 218 W HN 0.039 nan 8.180 nan 0.000 0.536 219 L N -0.089 121.274 121.223 0.233 0.000 2.046 219 L HA -0.226 4.113 4.340 -0.003 0.000 0.208 219 L C 1.925 178.897 176.870 0.170 0.000 1.077 219 L CA 1.197 56.148 54.840 0.186 0.000 0.747 219 L CB -0.864 41.297 42.059 0.171 0.000 0.896 219 L HN -0.096 nan 8.230 nan 0.000 0.432 220 D N -0.096 120.390 120.400 0.142 0.000 2.218 220 D HA -0.137 4.501 4.640 -0.003 0.000 0.204 220 D C 2.183 178.537 176.300 0.089 0.000 0.976 220 D CA 1.164 55.224 54.000 0.100 0.000 0.853 220 D CB -0.018 40.822 40.800 0.066 0.000 0.939 220 D HN 0.351 nan 8.370 nan 0.000 0.481 221 M N -1.071 118.604 119.600 0.124 0.000 2.618 221 M HA 0.134 4.612 4.480 -0.003 0.000 0.240 221 M C 0.994 177.419 176.300 0.209 0.000 1.123 221 M CA 0.645 56.059 55.300 0.189 0.000 1.060 221 M CB 0.527 33.328 32.600 0.335 0.000 1.535 221 M HN 0.063 nan 8.290 nan 0.000 0.507 222 G N 1.573 110.497 108.800 0.207 0.000 2.141 222 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.195 222 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.195 222 G C 0.042 175.092 174.900 0.251 0.000 1.012 222 G CA 0.010 45.232 45.100 0.204 0.000 0.696 222 G HN 0.479 nan 8.290 nan 0.000 0.508 223 V N -2.212 117.868 119.914 0.276 0.000 2.872 223 V HA 0.528 4.646 4.120 -0.003 0.000 0.307 223 V C 0.818 177.059 176.094 0.245 0.000 1.072 223 V CA 0.806 63.272 62.300 0.276 0.000 1.148 223 V CB 1.338 33.343 31.823 0.303 0.000 0.954 223 V HN 0.160 nan 8.190 nan 0.000 0.490 224 D N 2.600 123.163 120.400 0.273 0.000 2.449 224 D HA 0.309 4.948 4.640 -0.003 0.000 0.210 224 D C 0.662 177.215 176.300 0.422 0.000 1.094 224 D CA 1.137 55.309 54.000 0.287 0.000 0.846 224 D CB 1.364 42.298 40.800 0.223 0.000 1.003 224 D HN 0.932 nan 8.370 nan 0.000 0.504 225 G N 0.548 109.554 108.800 0.344 0.000 2.698 225 G HA2 0.592 4.550 3.960 -0.003 0.000 0.293 225 G HA3 0.592 4.550 3.960 -0.003 0.000 0.293 225 G C -1.530 173.429 174.900 0.098 0.000 1.437 225 G CA -0.623 44.633 45.100 0.261 0.000 0.852 225 G HN -0.013 nan 8.290 nan 0.000 0.499 226 I N 1.236 121.794 120.570 -0.020 0.000 2.468 226 I HA 0.406 4.574 4.170 -0.003 0.000 0.285 226 I C -0.334 175.532 176.117 -0.419 0.000 1.039 226 I CA -0.946 60.270 61.300 -0.140 0.000 1.074 226 I CB 2.062 39.975 38.000 -0.145 0.000 1.228 226 I HN 0.194 nan 8.210 nan 0.000 0.436 227 R N 6.297 126.450 120.500 -0.579 0.000 2.204 227 R HA 0.423 4.761 4.340 -0.003 0.000 0.341 227 R C -1.190 174.921 176.300 -0.315 0.000 1.035 227 R CA -0.510 54.983 56.100 -1.012 0.000 0.887 227 R CB 1.001 30.619 30.300 -1.137 0.000 1.114 227 R HN 0.427 nan 8.270 nan 0.000 0.473 228 V N 4.058 123.822 119.914 -0.251 0.000 2.583 228 V HA 0.384 4.502 4.120 -0.003 0.000 0.287 228 V C 0.732 176.857 176.094 0.052 0.000 1.051 228 V CA -0.534 61.784 62.300 0.030 0.000 1.010 228 V CB 1.272 33.164 31.823 0.115 0.000 0.988 228 V HN 0.825 nan 8.190 nan 0.000 0.478 229 A N 4.057 126.936 122.820 0.097 0.000 2.295 229 A HA 0.755 5.073 4.320 -0.003 0.000 0.318 229 A C 0.956 178.567 177.584 0.044 0.000 1.134 229 A CA -0.063 52.017 52.037 0.072 0.000 0.827 229 A CB 0.640 19.661 19.000 0.034 0.000 1.136 229 A HN 2.316 nan 8.150 nan 0.000 0.493 230 A N 0.282 123.136 122.820 0.057 0.000 2.640 230 A HA -0.109 4.209 4.320 -0.003 0.000 0.300 230 A C 1.184 178.740 177.584 -0.046 0.000 1.499 230 A CA 1.308 53.385 52.037 0.066 0.000 0.759 230 A CB -2.464 16.636 19.000 0.167 0.000 1.048 230 A HN 2.256 nan 8.150 nan 0.000 0.450 231 V N -1.995 117.861 119.914 -0.098 0.000 2.759 231 V HA -0.136 3.982 4.120 -0.003 0.000 0.256 231 V C 1.940 177.839 176.094 -0.326 0.000 1.080 231 V CA 2.436 64.667 62.300 -0.116 0.000 1.101 231 V CB -0.588 31.167 31.823 -0.114 0.000 0.698 231 V HN 0.655 nan 8.190 nan 0.000 0.477 232 K N -0.552 119.419 120.400 -0.715 0.000 2.283 232 K HA -0.130 4.188 4.320 -0.003 0.000 0.202 232 K C 1.656 177.747 176.600 -0.849 0.000 1.048 232 K CA 1.270 56.815 56.287 -1.235 0.000 0.948 232 K CB -0.169 31.232 32.500 -1.832 0.000 0.742 232 K HN 0.691 nan 8.250 nan 0.000 0.458 233 H N -0.742 118.135 119.070 -0.322 0.000 2.517 233 H HA 0.196 4.750 4.556 -0.002 0.000 0.282 233 H C -0.105 175.098 175.328 -0.207 0.000 1.023 233 H CA 0.239 56.119 56.048 -0.280 0.000 1.169 233 H CB 0.056 29.665 29.762 -0.255 0.000 1.454 233 H HN 0.130 nan 8.280 nan 0.000 0.556 234 M N 1.571 121.131 119.600 -0.068 0.000 2.530 234 M HA 0.314 4.792 4.480 -0.003 0.000 0.307 234 M C -2.419 173.910 176.300 0.048 0.000 1.161 234 M CA -2.059 53.225 55.300 -0.028 0.000 0.903 234 M CB 3.034 35.650 32.600 0.027 0.000 1.711 234 M HN -0.188 nan 8.290 nan 0.000 0.451 235 P HA -0.046 nan 4.420 nan 0.000 0.264 235 P C 0.333 177.781 177.300 0.245 0.000 1.193 235 P CA 0.116 63.308 63.100 0.153 0.000 0.763 235 P CB 0.864 32.665 31.700 0.168 0.000 0.810 236 L N 4.812 126.190 121.223 0.259 0.000 2.012 236 L HA -0.128 4.211 4.340 -0.003 0.000 0.210 236 L C 2.608 179.534 176.870 0.095 0.000 1.073 236 L CA 2.694 57.648 54.840 0.189 0.000 0.748 236 L CB -1.332 40.826 42.059 0.164 0.000 0.891 236 L HN 0.545 nan 8.230 nan 0.000 0.431 237 G N -0.671 108.200 108.800 0.118 0.000 2.649 237 G HA2 -0.431 3.528 3.960 -0.003 0.000 0.220 237 G HA3 -0.431 3.528 3.960 -0.003 0.000 0.220 237 G C 1.239 176.208 174.900 0.116 0.000 1.189 237 G CA 1.250 46.423 45.100 0.122 0.000 0.777 237 G HN 0.674 nan 8.290 nan 0.000 0.602 238 W N 1.333 122.665 121.300 0.052 0.000 2.355 238 W HA -0.053 4.606 4.660 -0.002 0.000 0.309 238 W C 2.988 179.532 176.519 0.042 0.000 1.206 238 W CA 1.777 59.139 57.345 0.028 0.000 1.284 238 W CB -0.346 29.077 29.460 -0.061 0.000 1.145 238 W HN 0.339 nan 8.180 nan 0.000 0.502 239 Q N 0.101 119.834 119.800 -0.112 0.000 2.197 239 Q HA -0.283 4.056 4.340 -0.003 0.000 0.207 239 Q C 2.193 178.076 176.000 -0.195 0.000 0.984 239 Q CA 1.969 57.664 55.803 -0.180 0.000 0.869 239 Q CB -0.359 28.436 28.738 0.095 0.000 0.906 239 Q HN 0.354 nan 8.270 nan 0.000 0.426 240 K N -0.052 120.252 120.400 -0.159 0.000 2.031 240 K HA -0.073 4.245 4.320 -0.003 0.000 0.205 240 K C 2.188 178.698 176.600 -0.150 0.000 1.049 240 K CA 1.321 57.526 56.287 -0.136 0.000 0.939 240 K CB 0.166 32.619 32.500 -0.078 0.000 0.717 240 K HN 0.041 nan 8.250 nan 0.000 0.438 241 S N 0.328 115.934 115.700 -0.157 0.000 2.382 241 S HA -0.170 4.298 4.470 -0.003 0.000 0.228 241 S C 1.334 175.828 174.600 -0.176 0.000 1.027 241 S CA 1.170 59.295 58.200 -0.125 0.000 0.991 241 S CB -0.444 62.717 63.200 -0.065 0.000 0.823 241 S HN 0.497 nan 8.310 nan 0.000 0.469 242 W N 2.015 122.979 121.300 -0.561 0.000 2.358 242 W HA -0.072 4.586 4.660 -0.002 0.000 0.303 242 W C 2.118 178.387 176.519 -0.415 0.000 1.208 242 W CA 1.218 58.217 57.345 -0.576 0.000 1.274 242 W CB -0.561 28.264 29.460 -1.059 0.000 1.138 242 W HN 0.208 nan 8.180 nan 0.000 0.515 243 M N 0.353 119.651 119.600 -0.503 0.000 2.117 243 M HA -0.159 4.320 4.480 -0.003 0.000 0.262 243 M C 2.609 178.562 176.300 -0.579 0.000 1.065 243 M CA 2.304 57.196 55.300 -0.681 0.000 1.114 243 M CB -1.071 31.262 32.600 -0.444 0.000 1.361 243 M HN 0.064 nan 8.290 nan 0.000 0.408 244 S N -0.828 114.709 115.700 -0.272 0.000 2.402 244 S HA -0.117 4.351 4.470 -0.003 0.000 0.229 244 S C 2.048 176.586 174.600 -0.103 0.000 1.021 244 S CA 1.704 59.851 58.200 -0.088 0.000 0.974 244 S CB -0.625 62.562 63.200 -0.023 0.000 0.800 244 S HN 0.674 nan 8.310 nan 0.000 0.484 245 S N 1.774 117.370 115.700 -0.173 0.000 2.368 245 S HA -0.054 4.414 4.470 -0.003 0.000 0.225 245 S C 1.858 176.339 174.600 -0.198 0.000 1.030 245 S CA 1.281 59.396 58.200 -0.142 0.000 0.999 245 S CB -0.983 62.145 63.200 -0.120 0.000 0.844 245 S HN 0.607 nan 8.310 nan 0.000 0.459 246 I N 0.318 120.640 120.570 -0.413 0.000 2.099 246 I HA -0.186 3.983 4.170 -0.003 0.000 0.239 246 I C 2.501 178.520 176.117 -0.164 0.000 1.066 246 I CA 1.690 62.749 61.300 -0.401 0.000 1.324 246 I CB -0.635 36.921 38.000 -0.740 0.000 1.037 246 I HN 0.212 nan 8.210 nan 0.000 0.401 247 Y N 0.974 121.209 120.300 -0.108 0.000 2.256 247 Y HA -0.232 4.317 4.550 -0.002 0.000 0.288 247 Y C 2.650 178.546 175.900 -0.006 0.000 1.155 247 Y CA 0.670 58.742 58.100 -0.046 0.000 1.203 247 Y CB -1.370 37.060 38.460 -0.050 0.000 0.980 247 Y HN 0.163 nan 8.280 nan 0.000 0.530 248 A N -1.075 121.833 122.820 0.147 0.000 2.032 248 A HA -0.255 4.063 4.320 -0.003 0.000 0.221 248 A C 2.157 179.812 177.584 0.118 0.000 1.165 248 A CA 2.351 54.450 52.037 0.104 0.000 0.645 248 A CB -0.649 18.393 19.000 0.070 0.000 0.807 248 A HN 0.672 nan 8.150 nan 0.000 0.453 249 H N -2.209 116.866 119.070 0.009 0.000 2.179 249 H HA 0.340 4.894 4.556 -0.002 0.000 0.246 249 H C -0.299 175.035 175.328 0.010 0.000 0.904 249 H CA 0.801 56.848 56.048 -0.002 0.000 1.113 249 H CB 0.517 30.262 29.762 -0.028 0.000 1.396 249 H HN 0.292 nan 8.280 nan 0.000 0.484 250 K N 2.240 122.682 120.400 0.068 0.000 2.865 250 K HA 0.246 4.565 4.320 -0.003 0.000 0.215 250 K C -2.863 173.794 176.600 0.095 0.000 1.120 250 K CA -1.799 54.486 56.287 -0.002 0.000 1.037 250 K CB 1.817 34.318 32.500 0.003 0.000 1.233 250 K HN 0.139 nan 8.250 nan 0.000 0.577 251 P HA -0.064 nan 4.420 nan 0.000 0.259 251 P C -0.159 177.280 177.300 0.232 0.000 1.211 251 P CA 0.027 63.297 63.100 0.283 0.000 0.810 251 P CB 0.424 32.258 31.700 0.223 0.000 0.815 252 V N 1.984 122.040 119.914 0.236 0.000 2.994 252 V HA 0.531 4.650 4.120 -0.003 0.000 0.318 252 V C -0.085 176.229 176.094 0.366 0.000 1.085 252 V CA -1.515 60.944 62.300 0.266 0.000 0.998 252 V CB 1.524 33.466 31.823 0.199 0.000 1.063 252 V HN 0.241 nan 8.190 nan 0.000 0.447 253 F N 2.026 122.132 119.950 0.259 0.000 2.504 253 F HA 0.583 5.109 4.527 -0.002 0.000 0.369 253 F C 0.347 176.235 175.800 0.147 0.000 1.082 253 F CA 0.562 58.697 58.000 0.224 0.000 1.216 253 F CB 0.393 39.557 39.000 0.274 0.000 1.108 253 F HN 0.734 nan 8.300 nan 0.000 0.554 254 T N 8.332 122.725 114.554 -0.268 0.000 2.879 254 T HA 0.525 4.874 4.350 -0.003 0.000 0.290 254 T C -1.171 173.365 174.700 -0.274 0.000 0.993 254 T CA -0.320 61.645 62.100 -0.224 0.000 0.975 254 T CB 0.689 69.447 68.868 -0.183 0.000 0.981 254 T HN 0.396 nan 8.240 nan 0.000 0.439 255 F N 0.085 119.752 119.950 -0.472 0.000 2.563 255 F HA 0.943 5.468 4.527 -0.002 0.000 0.316 255 F C 0.067 175.785 175.800 -0.138 0.000 1.076 255 F CA -1.791 56.001 58.000 -0.347 0.000 0.921 255 F CB 1.028 39.756 39.000 -0.454 0.000 1.209 255 F HN 0.676 nan 8.300 nan 0.000 0.462 256 G N 0.925 109.725 108.800 -0.000 0.000 2.473 256 G HA2 0.596 4.554 3.960 -0.003 0.000 0.321 256 G HA3 0.596 4.554 3.960 -0.003 0.000 0.321 256 G C -1.880 173.086 174.900 0.109 0.000 1.200 256 G CA -1.100 44.015 45.100 0.025 0.000 0.963 256 G HN 0.894 nan 8.290 nan 0.000 0.483 257 E N -0.000 120.279 120.200 0.132 0.000 2.129 257 E HA 0.276 4.625 4.350 -0.003 0.000 0.268 257 E C -1.183 175.536 176.600 0.198 0.000 0.900 257 E CA -1.042 55.520 56.400 0.269 0.000 0.755 257 E CB 1.937 31.864 29.700 0.379 0.000 1.117 257 E HN 0.444 nan 8.360 nan 0.000 0.410 258 W N 7.251 128.565 121.300 0.022 0.000 2.282 258 W HA 0.303 4.961 4.660 -0.002 0.000 0.322 258 W C -1.281 175.215 176.519 -0.039 0.000 1.011 258 W CA -1.692 55.602 57.345 -0.086 0.000 1.392 258 W CB 0.604 29.966 29.460 -0.163 0.000 1.215 258 W HN 0.640 nan 8.180 nan 0.000 0.394 259 F N 6.257 126.106 119.950 -0.167 0.000 2.578 259 F HA 0.279 4.804 4.527 -0.002 0.000 0.376 259 F C -0.725 174.861 175.800 -0.357 0.000 1.085 259 F CA 0.648 58.274 58.000 -0.623 0.000 1.260 259 F CB 0.538 39.256 39.000 -0.470 0.000 1.095 259 F HN 0.179 nan 8.300 nan 0.000 0.573 260 L N 4.711 125.056 121.223 -1.465 0.000 2.354 260 L HA 0.458 4.796 4.340 -0.003 0.000 0.264 260 L C 0.886 177.107 176.870 -1.081 0.000 1.008 260 L CA -0.618 53.754 54.840 -0.779 0.000 0.819 260 L CB 2.182 44.146 42.059 -0.158 0.000 1.339 260 L HN 0.760 nan 8.230 nan 0.000 0.420 261 G N -0.185 108.344 108.800 -0.452 0.000 3.126 261 G HA2 0.278 4.237 3.960 -0.003 0.000 0.224 261 G HA3 0.278 4.237 3.960 -0.003 0.000 0.224 261 G C 0.038 174.896 174.900 -0.070 0.000 1.142 261 G CA 0.562 45.531 45.100 -0.219 0.000 0.759 261 G HN 0.566 nan 8.290 nan 0.000 0.550 262 S N -2.593 113.077 115.700 -0.050 0.000 2.615 262 S HA 0.577 5.046 4.470 -0.003 0.000 0.268 262 S C 0.715 175.326 174.600 0.018 0.000 1.146 262 S CA 0.146 58.343 58.200 -0.004 0.000 0.818 262 S CB 1.089 64.288 63.200 -0.001 0.000 1.111 262 S HN 0.583 nan 8.310 nan 0.000 0.465 263 A N 0.309 123.137 122.820 0.012 0.000 2.121 263 A HA 0.556 4.875 4.320 -0.003 0.000 0.218 263 A C 1.335 178.932 177.584 0.023 0.000 1.154 263 A CA 0.912 52.962 52.037 0.020 0.000 0.679 263 A CB -1.335 17.659 19.000 -0.011 0.000 0.795 263 A HN 1.703 nan 8.150 nan 0.000 0.458 264 A N 0.398 123.226 122.820 0.013 0.000 2.531 264 A HA 0.396 4.715 4.320 -0.003 0.000 0.236 264 A C 0.824 178.414 177.584 0.011 0.000 1.062 264 A CA 0.567 52.609 52.037 0.008 0.000 0.760 264 A CB -0.164 18.841 19.000 0.009 0.000 0.995 264 A HN 0.831 nan 8.150 nan 0.000 0.501 265 S N 1.396 117.088 115.700 -0.013 0.000 2.465 265 S HA 0.227 4.695 4.470 -0.003 0.000 0.280 265 S C -0.275 174.314 174.600 -0.018 0.000 1.232 265 S CA -0.250 57.923 58.200 -0.045 0.000 1.066 265 S CB -0.179 62.977 63.200 -0.072 0.000 0.929 265 S HN 0.707 nan 8.310 nan 0.000 0.494 266 D N 3.692 124.088 120.400 -0.006 0.000 2.168 266 D HA 0.649 5.288 4.640 -0.003 0.000 0.246 266 D C 0.853 177.148 176.300 -0.009 0.000 1.050 266 D CA -0.218 53.798 54.000 0.027 0.000 0.857 266 D CB 1.451 42.299 40.800 0.081 0.000 1.169 266 D HN 0.507 nan 8.370 nan 0.000 0.453 267 A N 3.460 126.294 122.820 0.023 0.000 1.841 267 A HA -0.157 4.162 4.320 -0.003 0.000 0.214 267 A C 1.710 179.300 177.584 0.010 0.000 1.195 267 A CA 1.364 53.411 52.037 0.017 0.000 0.611 267 A CB -0.533 18.498 19.000 0.053 0.000 0.835 267 A HN 0.759 nan 8.150 nan 0.000 0.443 268 D N -0.088 120.359 120.400 0.079 0.000 2.158 268 D HA -0.203 4.435 4.640 -0.003 0.000 0.197 268 D C 1.809 177.873 176.300 -0.394 0.000 0.995 268 D CA 1.380 55.430 54.000 0.084 0.000 0.846 268 D CB -0.510 40.548 40.800 0.430 0.000 0.941 268 D HN 0.627 nan 8.370 nan 0.000 0.456 269 N N 0.709 119.025 118.700 -0.641 0.000 2.043 269 N HA -0.150 4.589 4.740 -0.003 0.000 0.193 269 N C 1.545 176.851 175.510 -0.340 0.000 1.037 269 N CA 1.778 54.170 53.050 -1.096 0.000 0.851 269 N CB -0.005 38.069 38.487 -0.688 0.000 1.027 269 N HN 0.029 nan 8.380 nan 0.000 0.422 270 T N 1.150 115.650 114.554 -0.089 0.000 2.652 270 T HA -0.125 4.224 4.350 -0.003 0.000 0.267 270 T C 1.189 175.932 174.700 0.072 0.000 1.039 270 T CA 1.545 63.690 62.100 0.075 0.000 1.153 270 T CB -0.537 68.272 68.868 -0.098 0.000 0.863 270 T HN 0.268 nan 8.240 nan 0.000 0.428 271 D N 0.252 120.661 120.400 0.015 0.000 2.149 271 D HA -0.058 4.580 4.640 -0.003 0.000 0.198 271 D C 1.638 177.966 176.300 0.046 0.000 0.990 271 D CA 0.643 54.667 54.000 0.041 0.000 0.839 271 D CB -0.455 40.382 40.800 0.062 0.000 0.948 271 D HN 0.304 nan 8.370 nan 0.000 0.460 272 F N 1.453 121.317 119.950 -0.143 0.000 2.046 272 F HA -0.225 4.301 4.527 -0.003 0.000 0.297 272 F C 2.302 178.076 175.800 -0.043 0.000 1.123 272 F CA 1.810 59.741 58.000 -0.114 0.000 1.199 272 F CB -0.448 38.352 39.000 -0.332 0.000 0.972 272 F HN -0.037 nan 8.300 nan 0.000 0.474 273 A N 0.370 123.319 122.820 0.216 0.000 1.917 273 A HA -0.278 4.041 4.320 -0.003 0.000 0.219 273 A C 1.921 179.544 177.584 0.065 0.000 1.182 273 A CA 2.230 54.351 52.037 0.140 0.000 0.633 273 A CB -0.952 18.114 19.000 0.109 0.000 0.819 273 A HN 0.570 nan 8.150 nan 0.000 0.448 274 N N -0.559 118.185 118.700 0.073 0.000 2.409 274 N HA -0.021 4.717 4.740 -0.003 0.000 0.179 274 N C 1.194 176.693 175.510 -0.020 0.000 1.032 274 N CA 1.290 54.364 53.050 0.040 0.000 0.898 274 N CB -0.053 38.469 38.487 0.058 0.000 0.971 274 N HN 0.660 nan 8.380 nan 0.000 0.441 275 K N -0.470 119.888 120.400 -0.070 0.000 2.425 275 K HA 0.192 4.510 4.320 -0.003 0.000 0.201 275 K C 1.593 178.095 176.600 -0.164 0.000 1.128 275 K CA 0.180 56.412 56.287 -0.091 0.000 1.000 275 K CB 0.561 33.026 32.500 -0.059 0.000 0.961 275 K HN 0.057 nan 8.250 nan 0.000 0.555 276 S N 0.499 116.019 115.700 -0.299 0.000 2.428 276 S HA 0.031 4.500 4.470 -0.003 0.000 0.230 276 S C 1.647 176.123 174.600 -0.206 0.000 1.014 276 S CA 0.797 58.746 58.200 -0.419 0.000 0.957 276 S CB -0.167 62.486 63.200 -0.911 0.000 0.784 276 S HN 0.415 nan 8.310 nan 0.000 0.499 277 G N 1.430 110.165 108.800 -0.109 0.000 2.141 277 G HA2 -0.237 3.722 3.960 -0.003 0.000 0.242 277 G HA3 -0.237 3.722 3.960 -0.003 0.000 0.242 277 G C -0.134 174.809 174.900 0.072 0.000 0.982 277 G CA 0.366 45.477 45.100 0.019 0.000 0.662 277 G HN 0.989 nan 8.290 nan 0.000 0.527 278 M N -1.258 118.340 119.600 -0.002 0.000 2.618 278 M HA 0.853 5.332 4.480 -0.003 0.000 0.281 278 M C -0.147 176.184 176.300 0.052 0.000 1.267 278 M CA -0.644 54.676 55.300 0.034 0.000 0.845 278 M CB 1.817 34.454 32.600 0.061 0.000 1.732 278 M HN 0.318 nan 8.290 nan 0.000 0.461 279 S N 0.721 116.428 115.700 0.010 0.000 2.707 279 S HA 0.848 5.317 4.470 -0.003 0.000 0.276 279 S C -0.870 173.778 174.600 0.080 0.000 1.179 279 S CA -0.648 57.552 58.200 0.001 0.000 0.992 279 S CB 0.844 63.979 63.200 -0.107 0.000 1.030 279 S HN 0.573 nan 8.310 nan 0.000 0.554 280 L N 1.821 123.077 121.223 0.054 0.000 2.376 280 L HA 0.550 4.889 4.340 -0.003 0.000 0.258 280 L C -0.616 176.351 176.870 0.161 0.000 1.013 280 L CA -0.576 54.348 54.840 0.140 0.000 0.822 280 L CB 1.177 43.318 42.059 0.137 0.000 1.388 280 L HN 0.676 nan 8.230 nan 0.000 0.413 281 L N 1.876 123.270 121.223 0.286 0.000 2.490 281 L HA 0.050 4.389 4.340 -0.003 0.000 0.274 281 L C 0.344 177.403 176.870 0.315 0.000 1.201 281 L CA 0.276 55.298 54.840 0.304 0.000 0.869 281 L CB 0.098 42.330 42.059 0.288 0.000 1.123 281 L HN 0.483 nan 8.230 nan 0.000 0.484 282 D N 2.560 123.114 120.400 0.256 0.000 2.500 282 D HA 0.083 4.721 4.640 -0.003 0.000 0.219 282 D C 0.702 177.036 176.300 0.056 0.000 1.137 282 D CA -0.051 54.048 54.000 0.165 0.000 0.946 282 D CB 0.343 41.171 40.800 0.046 0.000 1.022 282 D HN 0.269 nan 8.370 nan 0.000 0.518 283 F N 1.584 121.660 119.950 0.210 0.000 2.259 283 F HA 0.014 4.539 4.527 -0.002 0.000 0.298 283 F C 2.243 178.054 175.800 0.019 0.000 1.088 283 F CA 0.836 58.896 58.000 0.101 0.000 1.358 283 F CB 0.236 39.285 39.000 0.081 0.000 1.040 283 F HN 0.256 nan 8.300 nan 0.000 0.505 284 R N -1.504 119.158 120.500 0.270 0.000 2.153 284 R HA -0.096 4.243 4.340 -0.003 0.000 0.218 284 R C 2.056 178.450 176.300 0.158 0.000 1.072 284 R CA 1.051 57.260 56.100 0.182 0.000 0.990 284 R CB -0.667 29.746 30.300 0.189 0.000 0.889 284 R HN 0.268 nan 8.270 nan 0.000 0.452 285 F N 2.756 122.718 119.950 0.020 0.000 2.163 285 F HA -0.124 4.402 4.527 -0.003 0.000 0.297 285 F C 2.108 177.860 175.800 -0.080 0.000 1.094 285 F CA 1.218 59.221 58.000 0.005 0.000 1.290 285 F CB -0.446 38.568 39.000 0.023 0.000 1.017 285 F HN -0.036 nan 8.300 nan 0.000 0.483 286 N N -0.010 118.716 118.700 0.044 0.000 2.094 286 N HA -0.217 4.521 4.740 -0.003 0.000 0.191 286 N C 1.851 177.323 175.510 -0.064 0.000 1.023 286 N CA 1.830 54.766 53.050 -0.190 0.000 0.857 286 N CB -0.238 37.799 38.487 -0.749 0.000 1.013 286 N HN 0.345 nan 8.380 nan 0.000 0.426 287 S N 0.683 116.375 115.700 -0.013 0.000 2.359 287 S HA -0.099 4.369 4.470 -0.003 0.000 0.224 287 S C 2.173 176.739 174.600 -0.057 0.000 1.035 287 S CA 1.266 59.464 58.200 -0.004 0.000 1.018 287 S CB -0.460 62.749 63.200 0.016 0.000 0.876 287 S HN 0.614 nan 8.310 nan 0.000 0.448 288 A N 0.983 123.740 122.820 -0.105 0.000 1.902 288 A HA -0.050 4.269 4.320 -0.003 0.000 0.217 288 A C 2.337 179.791 177.584 -0.217 0.000 1.181 288 A CA 1.510 53.436 52.037 -0.185 0.000 0.623 288 A CB -0.904 17.952 19.000 -0.241 0.000 0.818 288 A HN 0.346 nan 8.150 nan 0.000 0.443 289 V N -0.254 119.541 119.914 -0.198 0.000 2.515 289 V HA -0.226 3.893 4.120 -0.003 0.000 0.250 289 V C 2.643 178.842 176.094 0.175 0.000 1.058 289 V CA 2.184 64.468 62.300 -0.028 0.000 1.064 289 V CB -0.743 31.095 31.823 0.025 0.000 0.675 289 V HN 0.527 nan 8.190 nan 0.000 0.461 290 R N -0.296 120.257 120.500 0.088 0.000 2.080 290 R HA -0.032 4.307 4.340 -0.003 0.000 0.222 290 R C 2.247 178.516 176.300 -0.051 0.000 1.107 290 R CA 1.144 57.261 56.100 0.030 0.000 0.980 290 R CB -0.332 29.954 30.300 -0.023 0.000 0.879 290 R HN 0.461 nan 8.270 nan 0.000 0.439 291 N N 0.308 118.960 118.700 -0.080 0.000 2.104 291 N HA -0.133 4.606 4.740 -0.003 0.000 0.190 291 N C 1.789 177.203 175.510 -0.161 0.000 1.024 291 N CA 1.286 54.269 53.050 -0.112 0.000 0.853 291 N CB -0.187 38.230 38.487 -0.117 0.000 1.008 291 N HN 0.015 nan 8.380 nan 0.000 0.424 292 V N -0.179 119.584 119.914 -0.252 0.000 2.379 292 V HA -0.051 4.068 4.120 -0.003 0.000 0.243 292 V C 1.717 177.560 176.094 -0.419 0.000 1.035 292 V CA 1.185 63.223 62.300 -0.436 0.000 1.035 292 V CB -0.470 30.908 31.823 -0.742 0.000 0.673 292 V HN 0.068 nan 8.190 nan 0.000 0.457 293 F N -0.146 119.782 119.950 -0.037 0.000 2.317 293 F HA 0.173 4.699 4.527 -0.003 0.000 0.293 293 F C 2.505 178.368 175.800 0.106 0.000 1.085 293 F CA 1.151 59.201 58.000 0.083 0.000 1.390 293 F CB -0.279 38.838 39.000 0.195 0.000 1.077 293 F HN -0.103 nan 8.300 nan 0.000 0.517 294 R N 0.062 120.627 120.500 0.109 0.000 2.075 294 R HA -0.024 4.315 4.340 -0.003 0.000 0.220 294 R C 1.121 177.350 176.300 -0.118 0.000 1.118 294 R CA 1.379 57.365 56.100 -0.189 0.000 0.986 294 R CB -0.034 29.818 30.300 -0.747 0.000 0.884 294 R HN 0.138 nan 8.270 nan 0.000 0.439 295 D N -0.126 120.206 120.400 -0.114 0.000 2.389 295 D HA 0.045 4.684 4.640 -0.003 0.000 0.206 295 D C -0.200 176.059 176.300 -0.068 0.000 1.055 295 D CA 0.087 54.033 54.000 -0.090 0.000 0.856 295 D CB 0.348 41.090 40.800 -0.096 0.000 0.957 295 D HN 0.211 nan 8.370 nan 0.000 0.509 296 N N 0.841 119.496 118.700 -0.075 0.000 2.741 296 N HA -0.160 4.578 4.740 -0.003 0.000 0.250 296 N C 1.201 176.671 175.510 -0.067 0.000 1.115 296 N CA 1.252 54.259 53.050 -0.072 0.000 0.724 296 N CB -1.667 36.794 38.487 -0.043 0.000 1.090 296 N HN 0.391 nan 8.380 nan 0.000 0.558 297 T N -5.155 109.355 114.554 -0.073 0.000 3.010 297 T HA 0.192 4.540 4.350 -0.003 0.000 0.252 297 T C 0.957 175.614 174.700 -0.072 0.000 1.047 297 T CA 0.591 62.654 62.100 -0.061 0.000 1.140 297 T CB 0.498 69.332 68.868 -0.056 0.000 0.885 297 T HN 0.092 nan 8.240 nan 0.000 0.464 298 S N 1.987 117.626 115.700 -0.103 0.000 2.648 298 S HA 0.674 5.143 4.470 -0.003 0.000 0.305 298 S C -0.711 173.794 174.600 -0.158 0.000 1.094 298 S CA -0.927 57.205 58.200 -0.114 0.000 0.983 298 S CB 1.554 64.679 63.200 -0.125 0.000 1.101 298 S HN 0.768 nan 8.310 nan 0.000 0.514 299 N N 0.123 118.738 118.700 -0.142 0.000 2.531 299 N HA 0.327 5.066 4.740 -0.003 0.000 0.290 299 N C 0.642 175.973 175.510 -0.299 0.000 1.257 299 N CA -0.764 52.170 53.050 -0.194 0.000 0.863 299 N CB -0.206 38.227 38.487 -0.090 0.000 1.320 299 N HN 0.292 nan 8.380 nan 0.000 0.538 300 M N -0.203 119.144 119.600 -0.422 0.000 2.195 300 M HA -0.169 4.309 4.480 -0.003 0.000 0.254 300 M C 1.069 177.011 176.300 -0.596 0.000 1.083 300 M CA 1.539 56.491 55.300 -0.580 0.000 1.069 300 M CB -1.376 30.900 32.600 -0.540 0.000 1.364 300 M HN 0.576 nan 8.290 nan 0.000 0.403 301 Y N -0.589 119.579 120.300 -0.220 0.000 2.114 301 Y HA -0.128 4.420 4.550 -0.003 0.000 0.284 301 Y C 2.463 178.239 175.900 -0.207 0.000 1.143 301 Y CA 1.415 59.411 58.100 -0.175 0.000 1.135 301 Y CB -1.561 36.832 38.460 -0.111 0.000 0.980 301 Y HN 0.306 nan 8.280 nan 0.000 0.499 302 A N 0.075 122.850 122.820 -0.076 0.000 1.915 302 A HA -0.263 4.055 4.320 -0.003 0.000 0.220 302 A C 2.272 179.746 177.584 -0.184 0.000 1.198 302 A CA 2.115 54.080 52.037 -0.121 0.000 0.647 302 A CB -1.265 17.645 19.000 -0.151 0.000 0.825 302 A HN 0.393 nan 8.150 nan 0.000 0.456 303 L N 0.139 121.168 121.223 -0.324 0.000 1.970 303 L HA -0.194 4.144 4.340 -0.003 0.000 0.212 303 L C 2.151 178.854 176.870 -0.280 0.000 1.071 303 L CA 2.769 57.367 54.840 -0.403 0.000 0.751 303 L CB -0.892 40.764 42.059 -0.672 0.000 0.889 303 L HN 0.597 nan 8.230 nan 0.000 0.432 304 D N -1.707 118.485 120.400 -0.348 0.000 2.123 304 D HA -0.178 4.460 4.640 -0.003 0.000 0.196 304 D C 2.076 178.393 176.300 0.028 0.000 0.992 304 D CA 1.565 55.526 54.000 -0.065 0.000 0.833 304 D CB 0.079 40.896 40.800 0.029 0.000 0.954 304 D HN 0.347 nan 8.370 nan 0.000 0.455 305 S N -0.126 115.574 115.700 -0.000 0.000 2.356 305 S HA -0.184 4.284 4.470 -0.003 0.000 0.223 305 S C 1.850 176.460 174.600 0.017 0.000 1.032 305 S CA 1.156 59.367 58.200 0.017 0.000 1.005 305 S CB -0.409 62.791 63.200 0.000 0.000 0.867 305 S HN 0.383 nan 8.310 nan 0.000 0.449 306 M N 1.796 121.390 119.600 -0.010 0.000 2.080 306 M HA -0.123 4.356 4.480 -0.003 0.000 0.260 306 M C 1.798 178.144 176.300 0.076 0.000 1.068 306 M CA 1.656 56.964 55.300 0.015 0.000 1.109 306 M CB -0.937 31.641 32.600 -0.037 0.000 1.342 306 M HN 0.183 nan 8.290 nan 0.000 0.405 307 I N 1.573 122.196 120.570 0.089 0.000 2.087 307 I HA -0.382 3.786 4.170 -0.003 0.000 0.240 307 I C 2.097 178.290 176.117 0.126 0.000 1.054 307 I CA 1.733 63.122 61.300 0.147 0.000 1.311 307 I CB -2.110 35.985 38.000 0.159 0.000 1.024 307 I HN 0.377 nan 8.210 nan 0.000 0.402 308 N N 0.076 118.835 118.700 0.098 0.000 2.223 308 N HA -0.136 4.602 4.740 -0.003 0.000 0.185 308 N C 2.060 177.601 175.510 0.051 0.000 1.016 308 N CA 1.508 54.605 53.050 0.078 0.000 0.863 308 N CB -0.267 38.261 38.487 0.069 0.000 0.983 308 N HN 0.326 nan 8.380 nan 0.000 0.429 309 S N 0.003 115.725 115.700 0.036 0.000 2.406 309 S HA -0.062 4.406 4.470 -0.003 0.000 0.224 309 S C 1.982 176.570 174.600 -0.020 0.000 1.030 309 S CA 1.652 59.850 58.200 -0.003 0.000 0.958 309 S CB -0.434 62.758 63.200 -0.013 0.000 0.811 309 S HN 0.544 nan 8.310 nan 0.000 0.489 310 T N 0.232 114.815 114.554 0.048 0.000 2.821 310 T HA 0.126 4.474 4.350 -0.003 0.000 0.267 310 T C 1.972 176.759 174.700 0.144 0.000 1.046 310 T CA 1.192 63.355 62.100 0.104 0.000 1.139 310 T CB -0.889 68.157 68.868 0.296 0.000 0.871 310 T HN 0.414 nan 8.240 nan 0.000 0.454 311 A N 1.708 124.606 122.820 0.130 0.000 1.978 311 A HA -0.061 4.258 4.320 -0.003 0.000 0.220 311 A C 2.544 180.169 177.584 0.069 0.000 1.170 311 A CA 2.040 54.147 52.037 0.117 0.000 0.636 311 A CB -1.291 17.772 19.000 0.104 0.000 0.810 311 A HN 0.583 nan 8.150 nan 0.000 0.448 312 T N -0.675 113.893 114.554 0.024 0.000 3.014 312 T HA -0.015 4.333 4.350 -0.003 0.000 0.263 312 T C 1.244 175.910 174.700 -0.057 0.000 1.078 312 T CA 1.257 63.352 62.100 -0.008 0.000 1.135 312 T CB -0.210 68.648 68.868 -0.016 0.000 0.895 312 T HN 0.440 nan 8.240 nan 0.000 0.480 313 D N -0.188 120.116 120.400 -0.159 0.000 2.183 313 D HA 0.056 4.694 4.640 -0.003 0.000 0.205 313 D C -0.244 175.917 176.300 -0.231 0.000 0.962 313 D CA 0.711 54.524 54.000 -0.312 0.000 0.849 313 D CB 0.028 40.442 40.800 -0.643 0.000 0.978 313 D HN 0.313 nan 8.370 nan 0.000 0.488 314 Y N 1.170 121.487 120.300 0.028 0.000 2.327 314 Y HA 0.207 4.755 4.550 -0.003 0.000 0.336 314 Y C 1.338 177.250 175.900 0.021 0.000 1.035 314 Y CA -1.053 57.065 58.100 0.030 0.000 1.165 314 Y CB 0.750 39.239 38.460 0.048 0.000 1.181 314 Y HN -0.218 nan 8.280 nan 0.000 0.494 315 N N 1.708 120.529 118.700 0.202 0.000 2.104 315 N HA -0.158 4.580 4.740 -0.003 0.000 0.190 315 N C -0.107 175.444 175.510 0.069 0.000 1.024 315 N CA 1.373 54.481 53.050 0.096 0.000 0.853 315 N CB 0.062 38.590 38.487 0.069 0.000 1.008 315 N HN 0.631 nan 8.380 nan 0.000 0.424 316 Q N -0.541 119.321 119.800 0.104 0.000 3.064 316 Q HA 0.239 4.577 4.340 -0.003 0.000 0.258 316 Q C 0.478 176.554 176.000 0.126 0.000 0.972 316 Q CA -0.131 55.729 55.803 0.095 0.000 0.761 316 Q CB 1.650 30.471 28.738 0.139 0.000 1.281 316 Q HN -0.115 nan 8.270 nan 0.000 0.455 317 V N 1.545 121.546 119.914 0.144 0.000 2.527 317 V HA -0.321 3.797 4.120 -0.003 0.000 0.255 317 V C 1.216 177.372 176.094 0.104 0.000 1.081 317 V CA 2.070 64.458 62.300 0.148 0.000 1.092 317 V CB 0.019 31.957 31.823 0.191 0.000 0.673 317 V HN 0.743 nan 8.190 nan 0.000 0.470 318 N N 0.274 119.056 118.700 0.138 0.000 2.453 318 N HA -0.099 4.639 4.740 -0.003 0.000 0.183 318 N C 1.353 176.959 175.510 0.160 0.000 1.041 318 N CA 1.423 54.560 53.050 0.144 0.000 0.900 318 N CB -0.264 38.359 38.487 0.226 0.000 0.961 318 N HN 0.643 nan 8.380 nan 0.000 0.443 319 D N -0.086 120.446 120.400 0.220 0.000 2.333 319 D HA -0.022 4.617 4.640 -0.003 0.000 0.208 319 D C 0.192 176.600 176.300 0.179 0.000 0.984 319 D CA 0.280 54.471 54.000 0.320 0.000 0.873 319 D CB 0.250 41.297 40.800 0.412 0.000 0.935 319 D HN 0.145 nan 8.370 nan 0.000 0.521 320 Q N 0.771 120.587 119.800 0.026 0.000 2.337 320 Q HA 0.141 4.479 4.340 -0.003 0.000 0.270 320 Q C -0.501 175.449 176.000 -0.083 0.000 1.002 320 Q CA 0.110 55.874 55.803 -0.064 0.000 0.888 320 Q CB 1.445 30.094 28.738 -0.149 0.000 1.222 320 Q HN -0.126 nan 8.270 nan 0.000 0.400 321 V N 3.851 123.716 119.914 -0.083 0.000 2.348 321 V HA 0.306 4.425 4.120 -0.003 0.000 0.270 321 V C 0.210 176.332 176.094 0.047 0.000 1.037 321 V CA -0.604 61.633 62.300 -0.104 0.000 0.872 321 V CB 0.731 32.382 31.823 -0.287 0.000 1.002 321 V HN 0.927 nan 8.190 nan 0.000 0.464 322 T N 2.732 117.222 114.554 -0.106 0.000 2.899 322 T HA 0.839 5.187 4.350 -0.003 0.000 0.284 322 T C -0.638 174.131 174.700 0.115 0.000 1.004 322 T CA -0.474 61.470 62.100 -0.260 0.000 1.043 322 T CB 1.433 69.748 68.868 -0.922 0.000 1.013 322 T HN 0.783 nan 8.240 nan 0.000 0.518 323 F N -0.554 119.386 119.950 -0.017 0.000 2.725 323 F HA 0.406 4.932 4.527 -0.003 0.000 0.311 323 F C 0.276 176.217 175.800 0.235 0.000 1.121 323 F CA -1.581 56.484 58.000 0.108 0.000 0.978 323 F CB 0.336 39.383 39.000 0.080 0.000 1.274 323 F HN 0.601 nan 8.300 nan 0.000 0.440 324 I N -0.629 120.118 120.570 0.295 0.000 2.876 324 I HA 0.281 4.450 4.170 -0.003 0.000 0.264 324 I C -0.451 175.922 176.117 0.427 0.000 1.204 324 I CA 0.882 62.358 61.300 0.294 0.000 1.485 324 I CB -0.228 37.823 38.000 0.084 0.000 1.103 324 I HN 0.738 nan 8.210 nan 0.000 0.446 325 D N 0.092 120.817 120.400 0.543 0.000 2.827 325 D HA 0.319 4.958 4.640 -0.003 0.000 0.336 325 D C -1.153 175.349 176.300 0.335 0.000 1.374 325 D CA -0.713 53.607 54.000 0.534 0.000 0.794 325 D CB 0.367 41.408 40.800 0.402 0.000 1.364 325 D HN 0.346 nan 8.370 nan 0.000 0.464 326 N N -2.669 116.040 118.700 0.015 0.000 3.339 326 N HA 0.133 4.871 4.740 -0.003 0.000 0.275 326 N C 0.377 175.402 175.510 -0.809 0.000 1.514 326 N CA -0.475 52.214 53.050 -0.601 0.000 0.879 326 N CB -0.198 37.946 38.487 -0.573 0.000 1.557 326 N HN 0.663 nan 8.380 nan 0.000 0.524 327 H N -1.755 116.666 119.070 -1.082 0.000 2.567 327 H HA 0.152 4.706 4.556 -0.003 0.000 0.276 327 H C -0.856 174.381 175.328 -0.152 0.000 1.016 327 H CA 0.845 56.544 56.048 -0.583 0.000 1.186 327 H CB -0.197 29.368 29.762 -0.328 0.000 1.351 327 H HN 0.501 nan 8.280 nan 0.000 0.605 328 D N 0.572 120.735 120.400 -0.396 0.000 2.540 328 D HA 0.145 4.784 4.640 -0.003 0.000 0.229 328 D C 0.957 177.256 176.300 -0.001 0.000 1.250 328 D CA -0.013 53.894 54.000 -0.154 0.000 0.817 328 D CB 0.801 41.507 40.800 -0.157 0.000 1.060 328 D HN 0.526 nan 8.370 nan 0.000 0.508 329 M N -1.178 118.446 119.600 0.040 0.000 2.775 329 M HA 0.508 4.986 4.480 -0.003 0.000 0.296 329 M C -1.129 175.222 176.300 0.084 0.000 1.248 329 M CA -0.902 54.465 55.300 0.112 0.000 0.800 329 M CB 1.828 34.557 32.600 0.215 0.000 1.765 329 M HN -0.399 nan 8.290 nan 0.000 0.472 330 D N 1.890 122.339 120.400 0.083 0.000 2.341 330 D HA 0.217 4.855 4.640 -0.003 0.000 0.245 330 D C -0.169 176.197 176.300 0.110 0.000 1.106 330 D CA -0.221 53.824 54.000 0.075 0.000 0.905 330 D CB 0.631 41.457 40.800 0.044 0.000 1.202 330 D HN 0.354 nan 8.370 nan 0.000 0.426 331 R N 0.959 121.533 120.500 0.124 0.000 2.638 331 R HA -0.076 4.262 4.340 -0.003 0.000 0.268 331 R C 0.993 177.407 176.300 0.190 0.000 1.006 331 R CA -0.011 56.191 56.100 0.170 0.000 1.088 331 R CB -0.106 30.265 30.300 0.119 0.000 0.950 331 R HN 0.524 nan 8.270 nan 0.000 0.419 332 F N 2.157 122.171 119.950 0.107 0.000 2.102 332 F HA -0.173 4.353 4.527 -0.003 0.000 0.298 332 F C 1.134 176.992 175.800 0.096 0.000 1.105 332 F CA 1.474 59.537 58.000 0.105 0.000 1.239 332 F CB 0.008 39.076 39.000 0.114 0.000 0.991 332 F HN 0.277 nan 8.300 nan 0.000 0.474 333 K N 1.276 121.906 120.400 0.383 0.000 2.276 333 K HA 0.329 4.647 4.320 -0.003 0.000 0.283 333 K C -1.189 175.502 176.600 0.151 0.000 1.044 333 K CA 0.038 56.496 56.287 0.286 0.000 0.944 333 K CB 0.873 33.554 32.500 0.301 0.000 1.012 333 K HN 0.080 nan 8.250 nan 0.000 0.472 334 T N 2.262 116.877 114.554 0.102 0.000 2.883 334 T HA 0.170 4.519 4.350 -0.003 0.000 0.301 334 T C 0.800 175.528 174.700 0.046 0.000 1.158 334 T CA -0.270 61.862 62.100 0.052 0.000 1.007 334 T CB 1.481 70.359 68.868 0.017 0.000 1.186 334 T HN 0.598 nan 8.240 nan 0.000 0.499 335 S N 1.295 117.013 115.700 0.030 0.000 2.389 335 S HA -0.246 4.222 4.470 -0.003 0.000 0.231 335 S C 2.226 176.837 174.600 0.017 0.000 1.052 335 S CA 1.393 59.605 58.200 0.019 0.000 1.053 335 S CB -0.758 62.449 63.200 0.012 0.000 0.886 335 S HN 0.867 nan 8.310 nan 0.000 0.456 336 A N 1.235 124.064 122.820 0.014 0.000 2.016 336 A HA 0.358 4.677 4.320 -0.003 0.000 0.217 336 A C 1.110 178.710 177.584 0.027 0.000 1.162 336 A CA 0.536 52.581 52.037 0.013 0.000 0.662 336 A CB -0.499 18.503 19.000 0.003 0.000 0.812 336 A HN 0.412 nan 8.150 nan 0.000 0.450 337 V N 2.463 122.401 119.914 0.041 0.000 2.470 337 V HA 0.049 4.168 4.120 -0.003 0.000 0.276 337 V C 0.333 176.487 176.094 0.101 0.000 1.040 337 V CA -0.614 61.735 62.300 0.082 0.000 1.008 337 V CB 0.434 32.315 31.823 0.097 0.000 0.990 337 V HN 0.444 nan 8.190 nan 0.000 0.477 338 N N 4.017 122.779 118.700 0.104 0.000 2.444 338 N HA 0.080 4.819 4.740 -0.003 0.000 0.255 338 N C 0.929 176.495 175.510 0.093 0.000 1.255 338 N CA -0.303 52.792 53.050 0.075 0.000 0.933 338 N CB 0.730 39.261 38.487 0.073 0.000 1.143 338 N HN 0.579 nan 8.380 nan 0.000 0.453 339 N N 1.550 120.256 118.700 0.011 0.000 2.069 339 N HA -0.173 4.565 4.740 -0.003 0.000 0.191 339 N C 1.563 177.145 175.510 0.120 0.000 1.031 339 N CA 1.129 54.181 53.050 0.004 0.000 0.852 339 N CB -0.266 38.096 38.487 -0.208 0.000 1.018 339 N HN 0.485 nan 8.380 nan 0.000 0.423 340 R N 1.512 122.057 120.500 0.074 0.000 2.105 340 R HA 0.025 4.363 4.340 -0.003 0.000 0.239 340 R C 1.849 178.195 176.300 0.075 0.000 1.135 340 R CA 1.198 57.342 56.100 0.073 0.000 0.967 340 R CB -0.150 30.188 30.300 0.064 0.000 0.861 340 R HN 0.114 nan 8.270 nan 0.000 0.442 341 R N 0.227 120.806 120.500 0.131 0.000 2.075 341 R HA -0.074 4.265 4.340 -0.003 0.000 0.232 341 R C 2.010 178.363 176.300 0.089 0.000 1.126 341 R CA 0.939 57.151 56.100 0.186 0.000 0.963 341 R CB -1.237 29.252 30.300 0.315 0.000 0.858 341 R HN 0.276 nan 8.270 nan 0.000 0.435 342 L N 1.998 123.278 121.223 0.095 0.000 1.989 342 L HA -0.176 4.163 4.340 -0.003 0.000 0.211 342 L C 1.611 178.328 176.870 -0.256 0.000 1.071 342 L CA 1.979 56.677 54.840 -0.237 0.000 0.749 342 L CB -1.004 41.107 42.059 0.087 0.000 0.890 342 L HN 0.175 nan 8.230 nan 0.000 0.431 343 E N -0.644 119.520 120.200 -0.059 0.000 2.130 343 E HA -0.277 4.072 4.350 -0.003 0.000 0.196 343 E C 2.170 178.690 176.600 -0.134 0.000 0.998 343 E CA 1.696 58.063 56.400 -0.054 0.000 0.806 343 E CB -0.040 29.687 29.700 0.045 0.000 0.738 343 E HN 0.659 nan 8.360 nan 0.000 0.459 344 Q N -0.274 119.397 119.800 -0.216 0.000 2.089 344 Q HA -0.013 4.326 4.340 -0.003 0.000 0.195 344 Q C 2.330 177.988 176.000 -0.569 0.000 0.963 344 Q CA 0.860 56.456 55.803 -0.346 0.000 0.834 344 Q CB -0.086 28.395 28.738 -0.428 0.000 0.906 344 Q HN 0.245 nan 8.270 nan 0.000 0.452 345 A N 1.087 123.453 122.820 -0.756 0.000 1.958 345 A HA -0.220 4.099 4.320 -0.003 0.000 0.221 345 A C 2.056 179.524 177.584 -0.194 0.000 1.178 345 A CA 1.343 53.051 52.037 -0.548 0.000 0.642 345 A CB -0.757 17.882 19.000 -0.602 0.000 0.816 345 A HN 0.283 nan 8.150 nan 0.000 0.453 346 L N -1.107 119.995 121.223 -0.202 0.000 2.005 346 L HA -0.154 4.185 4.340 -0.003 0.000 0.207 346 L C 3.129 179.987 176.870 -0.019 0.000 1.072 346 L CA 1.046 55.833 54.840 -0.088 0.000 0.744 346 L CB -0.682 41.313 42.059 -0.107 0.000 0.895 346 L HN 0.437 nan 8.230 nan 0.000 0.433 347 A N 0.194 122.991 122.820 -0.038 0.000 1.882 347 A HA -0.366 3.953 4.320 -0.003 0.000 0.220 347 A C 2.177 179.806 177.584 0.076 0.000 1.253 347 A CA 2.507 54.543 52.037 -0.002 0.000 0.664 347 A CB -1.307 17.687 19.000 -0.011 0.000 0.838 347 A HN 0.407 nan 8.150 nan 0.000 0.460 348 F N 0.857 120.806 119.950 -0.002 0.000 2.025 348 F HA -0.222 4.304 4.527 -0.003 0.000 0.297 348 F C 2.681 178.601 175.800 0.200 0.000 1.132 348 F CA 2.681 60.766 58.000 0.142 0.000 1.191 348 F CB -0.987 38.064 39.000 0.085 0.000 0.963 348 F HN 0.245 nan 8.300 nan 0.000 0.481 349 T N 1.566 116.279 114.554 0.265 0.000 2.720 349 T HA -0.214 4.135 4.350 -0.003 0.000 0.268 349 T C 2.141 176.846 174.700 0.008 0.000 1.037 349 T CA 1.898 64.124 62.100 0.210 0.000 1.144 349 T CB -0.591 68.424 68.868 0.245 0.000 0.864 349 T HN 0.225 nan 8.240 nan 0.000 0.444 350 L N 1.014 122.236 121.223 -0.003 0.000 2.017 350 L HA -0.113 4.226 4.340 -0.003 0.000 0.208 350 L C 2.978 179.809 176.870 -0.065 0.000 1.073 350 L CA 1.683 56.499 54.840 -0.041 0.000 0.745 350 L CB -1.081 40.954 42.059 -0.041 0.000 0.894 350 L HN 0.413 nan 8.230 nan 0.000 0.432 351 T N -3.905 110.616 114.554 -0.055 0.000 3.035 351 T HA 0.016 4.364 4.350 -0.003 0.000 0.268 351 T C 1.076 175.759 174.700 -0.030 0.000 1.109 351 T CA 0.174 62.244 62.100 -0.050 0.000 1.119 351 T CB -0.214 68.630 68.868 -0.039 0.000 0.900 351 T HN 0.109 nan 8.240 nan 0.000 0.503 352 S N 2.149 117.784 115.700 -0.108 0.000 2.617 352 S HA 0.409 4.877 4.470 -0.003 0.000 0.259 352 S C 0.709 175.265 174.600 -0.074 0.000 1.301 352 S CA -1.000 57.131 58.200 -0.115 0.000 0.984 352 S CB 0.518 63.586 63.200 -0.220 0.000 0.954 352 S HN 0.620 nan 8.310 nan 0.000 0.572 353 R N 0.684 121.168 120.500 -0.027 0.000 2.774 353 R HA 0.510 4.848 4.340 -0.003 0.000 0.269 353 R C 0.638 176.883 176.300 -0.091 0.000 1.068 353 R CA 0.662 56.748 56.100 -0.022 0.000 1.180 353 R CB -1.320 29.011 30.300 0.053 0.000 1.077 353 R HN 0.983 nan 8.270 nan 0.000 0.513 354 G N -0.208 108.551 108.800 -0.068 0.000 2.587 354 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.212 354 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.212 354 G C -1.408 173.416 174.900 -0.127 0.000 1.327 354 G CA -0.274 44.771 45.100 -0.090 0.000 0.898 354 G HN 0.696 nan 8.290 nan 0.000 0.551 355 V N 2.327 122.160 119.914 -0.136 0.000 2.350 355 V HA 0.532 4.651 4.120 -0.003 0.000 0.285 355 V C -2.092 173.920 176.094 -0.136 0.000 1.014 355 V CA -1.064 61.151 62.300 -0.143 0.000 0.831 355 V CB 1.962 33.699 31.823 -0.143 0.000 1.000 355 V HN 0.582 nan 8.190 nan 0.000 0.433 356 P HA 0.500 nan 4.420 nan 0.000 0.281 356 P C -0.771 176.552 177.300 0.038 0.000 1.252 356 P CA 0.036 63.110 63.100 -0.045 0.000 0.778 356 P CB 1.201 32.875 31.700 -0.044 0.000 0.895 357 A N 3.802 126.693 122.820 0.118 0.000 2.380 357 A HA 0.803 5.122 4.320 -0.003 0.000 0.315 357 A C -0.931 176.780 177.584 0.211 0.000 1.101 357 A CA -0.731 51.432 52.037 0.210 0.000 0.771 357 A CB 0.833 20.037 19.000 0.340 0.000 1.287 357 A HN 0.462 nan 8.150 nan 0.000 0.436 358 I N 1.348 122.030 120.570 0.186 0.000 2.466 358 I HA 0.239 4.408 4.170 -0.003 0.000 0.289 358 I C -1.215 174.907 176.117 0.010 0.000 1.026 358 I CA -0.557 60.816 61.300 0.122 0.000 1.078 358 I CB 1.803 39.882 38.000 0.131 0.000 1.249 358 I HN 0.732 nan 8.210 nan 0.000 0.429 359 Y N 8.293 128.523 120.300 -0.117 0.000 2.319 359 Y HA 0.222 4.770 4.550 -0.003 0.000 0.328 359 Y C -0.123 175.587 175.900 -0.317 0.000 1.133 359 Y CA -1.079 56.898 58.100 -0.206 0.000 1.265 359 Y CB 0.350 38.738 38.460 -0.120 0.000 1.218 359 Y HN 0.472 nan 8.280 nan 0.000 0.508 360 Y N 3.215 123.150 120.300 -0.610 0.000 2.805 360 Y HA 0.315 4.863 4.550 -0.003 0.000 0.337 360 Y C 1.123 176.921 175.900 -0.170 0.000 1.252 360 Y CA -0.556 57.278 58.100 -0.444 0.000 1.515 360 Y CB -0.059 38.307 38.460 -0.157 0.000 1.305 360 Y HN 0.989 nan 8.280 nan 0.000 0.600 361 G N 2.368 111.264 108.800 0.159 0.000 2.153 361 G HA2 -0.340 3.619 3.960 -0.003 0.000 0.252 361 G HA3 -0.340 3.619 3.960 -0.003 0.000 0.252 361 G C 0.626 175.486 174.900 -0.067 0.000 0.994 361 G CA 0.572 45.712 45.100 0.067 0.000 0.698 361 G HN 0.915 nan 8.290 nan 0.000 0.521 362 T N 0.762 115.272 114.554 -0.073 0.000 2.995 362 T HA -0.012 4.337 4.350 -0.003 0.000 0.269 362 T C 2.251 176.850 174.700 -0.168 0.000 1.091 362 T CA 1.496 63.534 62.100 -0.104 0.000 1.128 362 T CB -0.099 68.729 68.868 -0.066 0.000 0.891 362 T HN 0.783 nan 8.240 nan 0.000 0.492 363 E N 1.211 121.385 120.200 -0.043 0.000 2.150 363 E HA -0.141 4.207 4.350 -0.003 0.000 0.193 363 E C 1.219 177.740 176.600 -0.132 0.000 0.985 363 E CA 0.896 57.256 56.400 -0.068 0.000 0.814 363 E CB -0.218 29.585 29.700 0.170 0.000 0.752 363 E HN 0.329 nan 8.360 nan 0.000 0.466 364 Q N 0.378 120.164 119.800 -0.023 0.000 2.253 364 Q HA 0.042 4.380 4.340 -0.003 0.000 0.210 364 Q C -0.496 175.538 176.000 0.057 0.000 0.907 364 Q CA -0.336 55.484 55.803 0.029 0.000 0.948 364 Q CB -0.939 27.827 28.738 0.047 0.000 1.033 364 Q HN 0.357 nan 8.270 nan 0.000 0.471 365 Y N -0.504 119.828 120.300 0.054 0.000 2.968 365 Y HA -0.288 4.260 4.550 -0.003 0.000 0.215 365 Y C 0.462 176.376 175.900 0.024 0.000 1.150 365 Y CA -0.063 58.062 58.100 0.042 0.000 1.044 365 Y CB -2.140 36.349 38.460 0.048 0.000 1.216 365 Y HN 0.248 nan 8.280 nan 0.000 0.537 366 L N 0.907 122.171 121.223 0.068 0.000 2.525 366 L HA 0.040 4.378 4.340 -0.003 0.000 0.278 366 L C 1.200 178.095 176.870 0.041 0.000 1.218 366 L CA 0.837 55.689 54.840 0.019 0.000 0.878 366 L CB 0.604 42.608 42.059 -0.092 0.000 1.127 366 L HN 0.537 nan 8.230 nan 0.000 0.492 367 T N 0.024 114.601 114.554 0.039 0.000 2.876 367 T HA 0.839 5.187 4.350 -0.003 0.000 0.277 367 T C 0.035 174.751 174.700 0.027 0.000 0.997 367 T CA -0.230 61.898 62.100 0.047 0.000 0.966 367 T CB 1.894 70.790 68.868 0.048 0.000 1.312 367 T HN 0.954 nan 8.240 nan 0.000 0.598 368 G N 0.697 109.517 108.800 0.034 0.000 2.944 368 G HA2 0.202 4.160 3.960 -0.003 0.000 0.471 368 G HA3 0.202 4.160 3.960 -0.003 0.000 0.471 368 G C -1.560 173.363 174.900 0.040 0.000 1.388 368 G CA -1.154 43.964 45.100 0.029 0.000 1.087 368 G HN 0.869 nan 8.290 nan 0.000 0.596 369 N N 0.765 119.483 118.700 0.030 0.000 2.372 369 N HA 0.820 5.558 4.740 -0.003 0.000 0.291 369 N C 0.687 176.211 175.510 0.023 0.000 1.024 369 N CA 0.909 53.976 53.050 0.029 0.000 0.873 369 N CB 1.906 40.404 38.487 0.019 0.000 1.206 369 N HN 1.872 nan 8.380 nan 0.000 0.486 370 G N 1.314 110.128 108.800 0.024 0.000 2.796 370 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.226 370 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.226 370 G C -1.133 173.779 174.900 0.020 0.000 1.381 370 G CA -0.522 44.586 45.100 0.013 0.000 0.867 370 G HN 0.743 nan 8.290 nan 0.000 0.552 371 D N 0.176 120.583 120.400 0.012 0.000 2.344 371 D HA 0.626 5.264 4.640 -0.003 0.000 0.239 371 D C -0.159 176.166 176.300 0.041 0.000 1.064 371 D CA -1.417 52.604 54.000 0.035 0.000 0.829 371 D CB 1.408 42.222 40.800 0.024 0.000 1.129 371 D HN 0.270 nan 8.370 nan 0.000 0.506 372 P HA 0.147 nan 4.420 nan 0.000 0.255 372 P C 0.038 177.365 177.300 0.045 0.000 1.248 372 P CA -0.088 63.061 63.100 0.083 0.000 0.807 372 P CB 0.648 32.408 31.700 0.100 0.000 1.150 373 D N 1.536 121.955 120.400 0.030 0.000 2.309 373 D HA -0.119 4.519 4.640 -0.003 0.000 0.212 373 D C 1.527 177.844 176.300 0.029 0.000 0.968 373 D CA 0.854 54.867 54.000 0.022 0.000 0.882 373 D CB -0.228 40.581 40.800 0.017 0.000 0.918 373 D HN 0.386 nan 8.370 nan 0.000 0.503 374 N N 0.570 119.298 118.700 0.046 0.000 2.494 374 N HA -0.123 4.616 4.740 -0.003 0.000 0.182 374 N C 0.531 176.089 175.510 0.081 0.000 1.076 374 N CA 0.314 53.409 53.050 0.075 0.000 0.908 374 N CB -0.262 38.286 38.487 0.102 0.000 0.967 374 N HN -0.041 nan 8.380 nan 0.000 0.449 375 R N 0.648 121.178 120.500 0.051 0.000 4.048 375 R HA 0.472 4.810 4.340 -0.003 0.000 0.290 375 R C -0.190 176.160 176.300 0.083 0.000 1.519 375 R CA -0.213 55.913 56.100 0.042 0.000 1.446 375 R CB 0.430 30.698 30.300 -0.054 0.000 1.455 375 R HN 0.252 nan 8.270 nan 0.000 0.706 376 A N 0.753 123.625 122.820 0.086 0.000 2.272 376 A HA 0.248 4.566 4.320 -0.003 0.000 0.275 376 A C -0.187 177.491 177.584 0.157 0.000 1.096 376 A CA -0.544 51.540 52.037 0.078 0.000 0.822 376 A CB 0.369 19.388 19.000 0.031 0.000 1.088 376 A HN 0.408 nan 8.150 nan 0.000 0.495 377 K N 0.841 121.286 120.400 0.075 0.000 2.412 377 K HA 0.167 4.485 4.320 -0.003 0.000 0.284 377 K C 0.192 176.829 176.600 0.062 0.000 1.046 377 K CA -0.212 56.113 56.287 0.064 0.000 0.999 377 K CB 0.032 32.539 32.500 0.011 0.000 0.941 377 K HN 0.643 nan 8.250 nan 0.000 0.474 378 M N 9.016 128.677 119.600 0.101 0.000 2.504 378 M HA -0.025 4.453 4.480 -0.003 0.000 0.378 378 M C -1.836 174.333 176.300 -0.219 0.000 1.706 378 M CA -0.852 54.462 55.300 0.023 0.000 1.036 378 M CB 0.657 33.253 32.600 -0.008 0.000 2.129 378 M HN 0.573 nan 8.290 nan 0.000 0.474 379 P HA 0.000 nan 4.420 nan 0.000 0.214 379 P C -0.328 176.793 177.300 -0.299 0.000 1.162 379 P CA 1.238 64.225 63.100 -0.188 0.000 0.874 379 P CB 0.136 31.778 31.700 -0.096 0.000 0.784 380 S N -2.174 113.290 115.700 -0.394 0.000 2.638 380 S HA 0.547 5.015 4.470 -0.003 0.000 0.274 380 S C -0.918 173.271 174.600 -0.685 0.000 1.157 380 S CA -0.745 57.189 58.200 -0.443 0.000 0.826 380 S CB 0.670 63.766 63.200 -0.173 0.000 1.139 380 S HN -0.112 nan 8.310 nan 0.000 0.474 381 F N 2.419 122.255 119.950 -0.191 0.000 2.848 381 F HA 0.438 4.964 4.527 -0.003 0.000 0.321 381 F C 1.175 176.973 175.800 -0.004 0.000 1.281 381 F CA -0.523 57.296 58.000 -0.301 0.000 1.209 381 F CB 0.420 39.049 39.000 -0.619 0.000 1.152 381 F HN 0.704 nan 8.300 nan 0.000 0.521 382 S N -0.065 115.702 115.700 0.113 0.000 2.601 382 S HA 0.392 4.860 4.470 -0.003 0.000 0.271 382 S C 0.417 174.944 174.600 -0.121 0.000 1.305 382 S CA -0.667 57.548 58.200 0.025 0.000 1.022 382 S CB 1.304 64.502 63.200 -0.004 0.000 0.940 382 S HN 0.503 nan 8.310 nan 0.000 0.525 383 K N 1.698 121.843 120.400 -0.425 0.000 2.726 383 K HA 0.279 4.597 4.320 -0.003 0.000 0.209 383 K C 0.190 176.350 176.600 -0.732 0.000 1.082 383 K CA -0.211 55.277 56.287 -1.332 0.000 1.081 383 K CB 0.515 32.387 32.500 -1.047 0.000 0.830 383 K HN 0.566 nan 8.250 nan 0.000 0.470 384 S N 0.050 115.569 115.700 -0.301 0.000 2.526 384 S HA -0.017 4.451 4.470 -0.003 0.000 0.220 384 S C 0.921 175.545 174.600 0.041 0.000 1.017 384 S CA -0.252 57.892 58.200 -0.093 0.000 0.930 384 S CB 0.405 63.578 63.200 -0.046 0.000 0.856 384 S HN 0.456 nan 8.310 nan 0.000 0.497 385 T N 0.479 115.113 114.554 0.133 0.000 2.788 385 T HA 0.211 4.559 4.350 -0.003 0.000 0.287 385 T C 1.252 176.092 174.700 0.234 0.000 1.007 385 T CA -0.100 62.135 62.100 0.226 0.000 1.005 385 T CB 0.486 69.534 68.868 0.300 0.000 1.012 385 T HN -0.011 nan 8.240 nan 0.000 0.530 386 T N 0.844 115.545 114.554 0.246 0.000 2.896 386 T HA 0.080 4.429 4.350 -0.003 0.000 0.263 386 T C 2.423 177.218 174.700 0.157 0.000 1.050 386 T CA 0.890 63.101 62.100 0.185 0.000 1.140 386 T CB -0.708 68.262 68.868 0.170 0.000 0.877 386 T HN 0.768 nan 8.240 nan 0.000 0.457 387 A N 1.133 124.044 122.820 0.152 0.000 1.940 387 A HA -0.052 4.267 4.320 -0.003 0.000 0.219 387 A C 1.974 179.542 177.584 -0.027 0.000 1.176 387 A CA 1.275 53.290 52.037 -0.037 0.000 0.631 387 A CB -0.969 17.811 19.000 -0.367 0.000 0.814 387 A HN 0.478 nan 8.150 nan 0.000 0.446 388 F N 1.124 121.045 119.950 -0.048 0.000 2.102 388 F HA -0.180 4.345 4.527 -0.003 0.000 0.298 388 F C 2.205 177.989 175.800 -0.026 0.000 1.105 388 F CA 1.949 59.930 58.000 -0.032 0.000 1.239 388 F CB -0.270 38.726 39.000 -0.007 0.000 0.991 388 F HN 0.313 nan 8.300 nan 0.000 0.474 389 N N 0.392 119.231 118.700 0.232 0.000 2.058 389 N HA -0.175 4.564 4.740 -0.003 0.000 0.191 389 N C 1.974 177.489 175.510 0.008 0.000 1.037 389 N CA 1.927 55.064 53.050 0.144 0.000 0.848 389 N CB -0.338 38.233 38.487 0.141 0.000 1.021 389 N HN 0.224 nan 8.380 nan 0.000 0.422 390 V N 1.903 121.815 119.914 -0.003 0.000 2.380 390 V HA -0.241 3.878 4.120 -0.003 0.000 0.251 390 V C 2.325 178.367 176.094 -0.087 0.000 1.063 390 V CA 1.421 63.697 62.300 -0.040 0.000 1.055 390 V CB -0.372 31.433 31.823 -0.029 0.000 0.657 390 V HN 0.311 nan 8.190 nan 0.000 0.455 391 I N 0.620 121.103 120.570 -0.145 0.000 2.353 391 I HA -0.167 4.002 4.170 -0.003 0.000 0.248 391 I C 2.497 178.497 176.117 -0.194 0.000 1.119 391 I CA 1.665 62.861 61.300 -0.174 0.000 1.417 391 I CB -0.323 37.545 38.000 -0.220 0.000 1.078 391 I HN 0.468 nan 8.210 nan 0.000 0.421 392 S N 0.006 115.556 115.700 -0.250 0.000 2.470 392 S HA -0.016 4.452 4.470 -0.003 0.000 0.225 392 S C 1.862 176.403 174.600 -0.098 0.000 1.006 392 S CA 0.308 58.387 58.200 -0.201 0.000 0.934 392 S CB -0.124 62.947 63.200 -0.215 0.000 0.778 392 S HN 0.354 nan 8.310 nan 0.000 0.517 393 K N 0.763 121.117 120.400 -0.077 0.000 2.067 393 K HA 0.280 4.599 4.320 -0.003 0.000 0.203 393 K C 1.969 178.532 176.600 -0.062 0.000 1.048 393 K CA 0.873 57.130 56.287 -0.051 0.000 0.954 393 K CB -0.195 32.283 32.500 -0.037 0.000 0.737 393 K HN 0.304 nan 8.250 nan 0.000 0.444 394 L N 0.093 121.271 121.223 -0.074 0.000 2.168 394 L HA 0.021 4.360 4.340 -0.003 0.000 0.203 394 L C 2.460 179.283 176.870 -0.080 0.000 1.078 394 L CA 0.588 55.382 54.840 -0.076 0.000 0.780 394 L CB -0.363 41.651 42.059 -0.074 0.000 0.939 394 L HN 0.158 nan 8.230 nan 0.000 0.451 395 A N 0.839 123.609 122.820 -0.084 0.000 1.972 395 A HA -0.094 4.225 4.320 -0.003 0.000 0.219 395 A C -0.242 177.291 177.584 -0.085 0.000 1.169 395 A CA 1.176 53.165 52.037 -0.082 0.000 0.635 395 A CB -1.712 17.243 19.000 -0.075 0.000 0.810 395 A HN 0.279 nan 8.150 nan 0.000 0.446 396 P HA -0.165 nan 4.420 nan 0.000 0.219 396 P C 1.047 178.298 177.300 -0.082 0.000 1.144 396 P CA 0.845 63.900 63.100 -0.075 0.000 0.806 396 P CB -0.144 31.520 31.700 -0.061 0.000 0.771 397 L N -0.772 120.401 121.223 -0.084 0.000 2.291 397 L HA -0.020 4.318 4.340 -0.003 0.000 0.214 397 L C 2.684 179.484 176.870 -0.116 0.000 1.120 397 L CA 1.409 56.197 54.840 -0.087 0.000 0.799 397 L CB -1.011 40.999 42.059 -0.081 0.000 0.925 397 L HN -0.110 nan 8.230 nan 0.000 0.446 398 R N -0.697 119.723 120.500 -0.133 0.000 2.120 398 R HA -0.112 4.226 4.340 -0.003 0.000 0.234 398 R C 1.952 178.126 176.300 -0.210 0.000 1.123 398 R CA 0.831 56.820 56.100 -0.185 0.000 0.975 398 R CB -0.112 30.081 30.300 -0.178 0.000 0.866 398 R HN 0.311 nan 8.270 nan 0.000 0.446 399 K N 0.344 120.649 120.400 -0.157 0.000 2.017 399 K HA -0.015 4.303 4.320 -0.003 0.000 0.207 399 K C 2.239 178.771 176.600 -0.112 0.000 1.035 399 K CA 1.524 57.726 56.287 -0.142 0.000 0.947 399 K CB -0.659 31.773 32.500 -0.112 0.000 0.749 399 K HN 0.134 nan 8.250 nan 0.000 0.443 400 S N 1.384 117.032 115.700 -0.087 0.000 2.420 400 S HA -0.148 4.320 4.470 -0.003 0.000 0.237 400 S C 0.918 175.480 174.600 -0.063 0.000 1.023 400 S CA 0.985 59.146 58.200 -0.066 0.000 0.991 400 S CB -0.274 62.893 63.200 -0.055 0.000 0.792 400 S HN 0.183 nan 8.310 nan 0.000 0.488 401 N N 1.785 120.438 118.700 -0.080 0.000 2.524 401 N HA 0.369 5.108 4.740 -0.003 0.000 0.261 401 N C -2.218 173.235 175.510 -0.096 0.000 0.998 401 N CA -2.374 50.638 53.050 -0.063 0.000 0.915 401 N CB 2.066 40.519 38.487 -0.056 0.000 1.187 401 N HN 0.019 nan 8.380 nan 0.000 0.507 402 P HA -0.030 nan 4.420 nan 0.000 0.226 402 P C 0.857 178.081 177.300 -0.127 0.000 1.153 402 P CA 0.524 63.568 63.100 -0.094 0.000 0.777 402 P CB 0.398 32.195 31.700 0.162 0.000 0.794 403 A N 0.251 123.103 122.820 0.052 0.000 1.902 403 A HA -0.147 4.171 4.320 -0.003 0.000 0.217 403 A C 2.112 179.685 177.584 -0.018 0.000 1.181 403 A CA 1.397 53.497 52.037 0.105 0.000 0.623 403 A CB -1.251 17.821 19.000 0.120 0.000 0.818 403 A HN 0.042 nan 8.150 nan 0.000 0.443 404 I N -0.008 120.508 120.570 -0.091 0.000 2.286 404 I HA -0.124 4.044 4.170 -0.003 0.000 0.245 404 I C 2.839 178.821 176.117 -0.226 0.000 1.104 404 I CA 0.936 62.161 61.300 -0.124 0.000 1.397 404 I CB -1.368 36.555 38.000 -0.128 0.000 1.072 404 I HN 0.317 nan 8.210 nan 0.000 0.417 405 A N -1.056 121.524 122.820 -0.399 0.000 2.014 405 A HA -0.137 4.182 4.320 -0.003 0.000 0.218 405 A C 1.552 178.618 177.584 -0.865 0.000 1.163 405 A CA 1.529 53.136 52.037 -0.717 0.000 0.652 405 A CB -0.505 17.866 19.000 -1.047 0.000 0.808 405 A HN 0.508 nan 8.150 nan 0.000 0.449 406 Y N -2.134 117.998 120.300 -0.280 0.000 2.648 406 Y HA 0.333 4.882 4.550 -0.003 0.000 0.270 406 Y C 1.456 177.292 175.900 -0.107 0.000 1.043 406 Y CA -0.927 57.012 58.100 -0.268 0.000 1.238 406 Y CB -0.485 37.620 38.460 -0.592 0.000 1.385 406 Y HN 0.207 nan 8.280 nan 0.000 0.569 407 G N 0.453 109.297 108.800 0.073 0.000 2.651 407 G HA2 0.286 4.245 3.960 -0.003 0.000 0.260 407 G HA3 0.286 4.245 3.960 -0.003 0.000 0.260 407 G C 0.188 175.195 174.900 0.180 0.000 1.216 407 G CA -0.108 45.127 45.100 0.226 0.000 0.913 407 G HN 0.112 nan 8.290 nan 0.000 0.535 408 S N -1.694 114.124 115.700 0.197 0.000 2.600 408 S HA 0.505 4.974 4.470 -0.003 0.000 0.265 408 S C 0.122 174.812 174.600 0.149 0.000 1.325 408 S CA -0.090 58.204 58.200 0.156 0.000 1.002 408 S CB 0.408 63.696 63.200 0.147 0.000 0.921 408 S HN 0.645 nan 8.310 nan 0.000 0.554 409 T N 3.390 118.031 114.554 0.146 0.000 2.906 409 T HA 0.400 4.748 4.350 -0.003 0.000 0.302 409 T C -0.961 173.836 174.700 0.163 0.000 1.002 409 T CA -0.575 61.630 62.100 0.174 0.000 0.988 409 T CB 1.261 70.230 68.868 0.168 0.000 0.972 409 T HN 0.575 nan 8.240 nan 0.000 0.447 410 Q N 1.851 121.754 119.800 0.171 0.000 2.342 410 Q HA 0.345 4.683 4.340 -0.003 0.000 0.267 410 Q C -0.724 175.365 176.000 0.149 0.000 1.038 410 Q CA -0.765 55.124 55.803 0.143 0.000 0.832 410 Q CB 2.509 31.315 28.738 0.114 0.000 1.323 410 Q HN 0.567 nan 8.270 nan 0.000 0.448 411 Q N 2.240 122.120 119.800 0.132 0.000 2.286 411 Q HA 0.126 4.465 4.340 -0.003 0.000 0.257 411 Q C -0.096 175.971 176.000 0.112 0.000 0.941 411 Q CA 0.081 55.948 55.803 0.106 0.000 0.912 411 Q CB 0.667 29.510 28.738 0.176 0.000 1.192 411 Q HN 0.533 nan 8.270 nan 0.000 0.410 412 R N 3.050 123.622 120.500 0.119 0.000 2.369 412 R HA 0.184 4.522 4.340 -0.003 0.000 0.210 412 R C -0.567 175.909 176.300 0.292 0.000 0.881 412 R CA 0.303 56.508 56.100 0.176 0.000 1.031 412 R CB 0.691 31.093 30.300 0.169 0.000 1.184 412 R HN 0.690 nan 8.270 nan 0.000 0.581 413 W N 0.044 121.376 121.300 0.053 0.000 3.818 413 W HA 0.562 5.221 4.660 -0.003 0.000 0.283 413 W C -1.772 174.815 176.519 0.113 0.000 1.265 413 W CA -0.562 56.829 57.345 0.077 0.000 1.226 413 W CB 1.271 30.770 29.460 0.066 0.000 1.281 413 W HN -0.156 nan 8.180 nan 0.000 0.539 414 I N 5.959 126.640 120.570 0.185 0.000 2.785 414 I HA 0.423 4.591 4.170 -0.003 0.000 0.293 414 I C -1.686 174.363 176.117 -0.114 0.000 1.446 414 I CA -0.477 60.929 61.300 0.176 0.000 1.028 414 I CB 1.621 39.766 38.000 0.241 0.000 1.349 414 I HN 0.618 nan 8.210 nan 0.000 0.438 415 N N 4.538 123.179 118.700 -0.099 0.000 2.972 415 N HA 0.331 5.069 4.740 -0.003 0.000 0.262 415 N C 0.277 175.592 175.510 -0.325 0.000 1.478 415 N CA -0.545 52.422 53.050 -0.139 0.000 0.841 415 N CB 0.189 38.690 38.487 0.024 0.000 1.512 415 N HN 0.575 nan 8.380 nan 0.000 0.548 416 N N -0.474 118.111 118.700 -0.192 0.000 2.111 416 N HA -0.270 4.469 4.740 -0.003 0.000 0.197 416 N C -0.581 174.829 175.510 -0.167 0.000 1.011 416 N CA 2.059 55.010 53.050 -0.166 0.000 0.880 416 N CB -0.467 38.021 38.487 0.001 0.000 1.031 416 N HN 0.630 nan 8.380 nan 0.000 0.444 417 D N -0.246 120.113 120.400 -0.068 0.000 2.469 417 D HA 0.283 4.922 4.640 -0.003 0.000 0.215 417 D C -0.473 175.847 176.300 0.034 0.000 1.154 417 D CA -0.164 53.809 54.000 -0.045 0.000 0.832 417 D CB 1.124 41.922 40.800 -0.003 0.000 1.008 417 D HN 0.057 nan 8.370 nan 0.000 0.506 418 V N 1.314 121.288 119.914 0.101 0.000 2.588 418 V HA 0.363 4.481 4.120 -0.003 0.000 0.304 418 V C -1.409 174.900 176.094 0.359 0.000 1.042 418 V CA -0.875 61.565 62.300 0.234 0.000 0.877 418 V CB 2.416 34.425 31.823 0.309 0.000 0.996 418 V HN -0.035 nan 8.190 nan 0.000 0.425 419 Y N 3.998 124.417 120.300 0.198 0.000 2.354 419 Y HA 0.739 5.287 4.550 -0.003 0.000 0.330 419 Y C -0.859 175.254 175.900 0.354 0.000 1.011 419 Y CA -0.978 57.275 58.100 0.255 0.000 1.099 419 Y CB 2.131 40.704 38.460 0.189 0.000 1.179 419 Y HN 0.370 nan 8.280 nan 0.000 0.442 420 V N 8.000 127.980 119.914 0.111 0.000 2.483 420 V HA 0.468 4.587 4.120 -0.003 0.000 0.297 420 V C -1.296 174.781 176.094 -0.028 0.000 1.027 420 V CA -0.782 61.580 62.300 0.103 0.000 0.855 420 V CB 1.224 33.173 31.823 0.209 0.000 0.995 420 V HN 0.637 nan 8.190 nan 0.000 0.424 421 Y N 1.652 121.839 120.300 -0.188 0.000 2.609 421 Y HA 0.864 5.413 4.550 -0.003 0.000 0.342 421 Y C -0.690 175.191 175.900 -0.031 0.000 1.058 421 Y CA -1.465 56.529 58.100 -0.177 0.000 1.055 421 Y CB 1.733 40.023 38.460 -0.283 0.000 1.292 421 Y HN 0.566 nan 8.280 nan 0.000 0.476 422 E N 1.593 121.855 120.200 0.103 0.000 2.293 422 E HA 0.525 4.873 4.350 -0.003 0.000 0.270 422 E C -1.349 175.316 176.600 0.109 0.000 0.879 422 E CA -1.210 55.213 56.400 0.038 0.000 0.756 422 E CB 1.352 31.090 29.700 0.062 0.000 1.208 422 E HN 0.635 nan 8.360 nan 0.000 0.428 423 R N 3.064 123.601 120.500 0.061 0.000 2.494 423 R HA 0.462 4.801 4.340 -0.003 0.000 0.305 423 R C -0.785 175.575 176.300 0.100 0.000 0.959 423 R CA -0.616 55.543 56.100 0.098 0.000 0.864 423 R CB 1.716 32.056 30.300 0.067 0.000 1.159 423 R HN 0.434 nan 8.270 nan 0.000 0.446 424 K N 2.438 122.920 120.400 0.137 0.000 2.482 424 K HA 0.445 4.764 4.320 -0.003 0.000 0.251 424 K C -1.686 175.059 176.600 0.242 0.000 0.936 424 K CA -0.648 55.731 56.287 0.152 0.000 0.791 424 K CB 1.659 34.225 32.500 0.112 0.000 1.213 424 K HN 0.348 nan 8.250 nan 0.000 0.428 425 F N 3.489 123.479 119.950 0.068 0.000 2.553 425 F HA 0.374 4.899 4.527 -0.003 0.000 0.335 425 F C 0.515 176.346 175.800 0.052 0.000 1.148 425 F CA 0.429 58.474 58.000 0.074 0.000 0.963 425 F CB 1.104 40.172 39.000 0.113 0.000 1.217 425 F HN 0.865 nan 8.300 nan 0.000 0.441 426 G N 6.058 114.662 108.800 -0.327 0.000 2.665 426 G HA2 -0.414 3.545 3.960 -0.003 0.000 0.326 426 G HA3 -0.414 3.545 3.960 -0.003 0.000 0.326 426 G C 1.087 175.942 174.900 -0.074 0.000 1.231 426 G CA 0.873 45.804 45.100 -0.283 0.000 0.992 426 G HN 0.687 nan 8.290 nan 0.000 0.549 427 K N 0.820 121.203 120.400 -0.028 0.000 2.361 427 K HA 0.261 4.580 4.320 -0.003 0.000 0.196 427 K C 1.022 177.725 176.600 0.171 0.000 1.039 427 K CA 0.581 56.919 56.287 0.085 0.000 1.001 427 K CB 0.182 32.745 32.500 0.105 0.000 0.795 427 K HN 0.254 nan 8.250 nan 0.000 0.495 428 S N 1.450 117.222 115.700 0.120 0.000 2.523 428 S HA 0.235 4.704 4.470 -0.003 0.000 0.275 428 S C -0.019 174.678 174.600 0.161 0.000 1.281 428 S CA -0.715 57.558 58.200 0.121 0.000 1.050 428 S CB 1.211 64.474 63.200 0.104 0.000 0.937 428 S HN -0.052 nan 8.310 nan 0.000 0.492 429 V N 0.482 120.502 119.914 0.177 0.000 3.113 429 V HA 1.036 5.154 4.120 -0.003 0.000 0.316 429 V C -0.235 175.905 176.094 0.077 0.000 1.125 429 V CA -1.185 61.190 62.300 0.124 0.000 1.026 429 V CB 1.658 33.541 31.823 0.101 0.000 1.080 429 V HN 0.969 nan 8.190 nan 0.000 0.444 430 A N 0.881 123.720 122.820 0.031 0.000 2.513 430 A HA 0.779 5.098 4.320 -0.003 0.000 0.296 430 A C -1.531 176.023 177.584 -0.050 0.000 1.052 430 A CA -0.430 51.599 52.037 -0.014 0.000 0.714 430 A CB 1.815 20.785 19.000 -0.050 0.000 1.279 430 A HN 0.868 nan 8.150 nan 0.000 0.397 431 V N 2.426 122.318 119.914 -0.037 0.000 2.540 431 V HA 0.551 4.669 4.120 -0.003 0.000 0.302 431 V C -0.387 175.583 176.094 -0.205 0.000 1.035 431 V CA -0.564 61.703 62.300 -0.055 0.000 0.873 431 V CB 1.796 33.717 31.823 0.163 0.000 0.992 431 V HN 0.758 nan 8.190 nan 0.000 0.428 432 V N 4.136 123.766 119.914 -0.472 0.000 2.435 432 V HA 0.822 4.940 4.120 -0.003 0.000 0.290 432 V C 0.323 176.221 176.094 -0.327 0.000 1.030 432 V CA -0.352 61.624 62.300 -0.540 0.000 0.881 432 V CB 1.756 33.075 31.823 -0.840 0.000 0.983 432 V HN 0.993 nan 8.190 nan 0.000 0.445 433 A N 4.871 127.549 122.820 -0.236 0.000 2.342 433 A HA 0.914 5.232 4.320 -0.003 0.000 0.323 433 A C -1.075 176.561 177.584 0.087 0.000 1.125 433 A CA -0.523 51.525 52.037 0.018 0.000 0.785 433 A CB 1.649 20.726 19.000 0.128 0.000 1.221 433 A HN 0.744 nan 8.150 nan 0.000 0.463 434 V N 2.617 122.659 119.914 0.213 0.000 2.711 434 V HA 0.342 4.461 4.120 -0.003 0.000 0.304 434 V C -0.737 175.495 176.094 0.230 0.000 1.097 434 V CA -0.924 61.523 62.300 0.245 0.000 0.906 434 V CB 1.981 34.040 31.823 0.394 0.000 1.015 434 V HN 0.886 nan 8.190 nan 0.000 0.427 435 N N 4.030 122.832 118.700 0.170 0.000 2.589 435 N HA 0.219 4.957 4.740 -0.003 0.000 0.232 435 N C 1.197 176.800 175.510 0.155 0.000 1.015 435 N CA -0.630 52.501 53.050 0.134 0.000 0.931 435 N CB 1.094 39.635 38.487 0.091 0.000 1.150 435 N HN 0.795 nan 8.380 nan 0.000 0.512 436 R N 1.915 122.512 120.500 0.163 0.000 2.316 436 R HA 0.000 4.339 4.340 -0.003 0.000 0.202 436 R C 0.088 176.458 176.300 0.117 0.000 1.029 436 R CA 0.132 56.346 56.100 0.191 0.000 1.018 436 R CB -0.121 30.245 30.300 0.110 0.000 0.888 436 R HN 0.218 nan 8.270 nan 0.000 0.471 437 N N 1.769 120.517 118.700 0.081 0.000 2.420 437 N HA 0.004 4.742 4.740 -0.003 0.000 0.262 437 N C 0.324 175.872 175.510 0.063 0.000 1.144 437 N CA -0.075 53.010 53.050 0.059 0.000 0.952 437 N CB 0.950 39.465 38.487 0.047 0.000 1.081 437 N HN 0.275 nan 8.380 nan 0.000 0.480 438 L N 2.128 123.386 121.223 0.058 0.000 2.645 438 L HA 0.073 4.412 4.340 -0.003 0.000 0.235 438 L C 1.041 177.936 176.870 0.042 0.000 1.150 438 L CA 0.067 54.940 54.840 0.054 0.000 0.911 438 L CB -0.337 41.755 42.059 0.055 0.000 1.077 438 L HN 0.547 nan 8.230 nan 0.000 0.438 439 S N -3.425 112.297 115.700 0.038 0.000 2.761 439 S HA 0.096 4.564 4.470 -0.003 0.000 0.273 439 S C 0.697 175.315 174.600 0.031 0.000 1.073 439 S CA -0.333 57.886 58.200 0.031 0.000 1.048 439 S CB 0.475 63.691 63.200 0.026 0.000 0.955 439 S HN 0.213 nan 8.310 nan 0.000 0.500 440 T N 3.155 117.729 114.554 0.033 0.000 2.824 440 T HA 0.723 5.071 4.350 -0.003 0.000 0.280 440 T C 0.091 174.811 174.700 0.034 0.000 0.995 440 T CA -0.430 61.689 62.100 0.032 0.000 1.009 440 T CB 1.667 70.553 68.868 0.031 0.000 0.955 440 T HN 0.436 nan 8.240 nan 0.000 0.452 441 S N 1.047 116.764 115.700 0.029 0.000 2.707 441 S HA 0.812 5.281 4.470 -0.003 0.000 0.276 441 S C -0.356 174.250 174.600 0.009 0.000 1.179 441 S CA -0.892 57.322 58.200 0.024 0.000 0.992 441 S CB 0.971 64.187 63.200 0.027 0.000 1.030 441 S HN 1.266 nan 8.310 nan 0.000 0.554 442 A N 1.018 123.825 122.820 -0.023 0.000 2.429 442 A HA 0.649 4.967 4.320 -0.003 0.000 0.289 442 A C -0.366 177.120 177.584 -0.162 0.000 1.043 442 A CA -0.731 51.272 52.037 -0.058 0.000 0.722 442 A CB 1.215 20.183 19.000 -0.054 0.000 1.243 442 A HN 0.733 nan 8.150 nan 0.000 0.415 443 S N 2.544 118.163 115.700 -0.135 0.000 2.523 443 S HA 0.463 4.932 4.470 -0.003 0.000 0.275 443 S C 0.094 174.471 174.600 -0.372 0.000 1.281 443 S CA -0.270 57.800 58.200 -0.216 0.000 1.050 443 S CB 0.214 63.362 63.200 -0.087 0.000 0.937 443 S HN 0.494 nan 8.310 nan 0.000 0.492 444 I N 4.223 124.370 120.570 -0.705 0.000 2.330 444 I HA 0.319 4.487 4.170 -0.003 0.000 0.289 444 I C 0.500 176.346 176.117 -0.452 0.000 1.001 444 I CA -0.429 60.282 61.300 -0.982 0.000 1.193 444 I CB 0.464 37.454 38.000 -1.684 0.000 1.345 444 I HN 0.609 nan 8.210 nan 0.000 0.461 445 T N 0.605 115.117 114.554 -0.070 0.000 2.841 445 T HA 0.668 5.017 4.350 -0.003 0.000 0.285 445 T C 0.499 175.312 174.700 0.187 0.000 0.991 445 T CA -0.315 61.818 62.100 0.053 0.000 0.966 445 T CB 1.825 70.736 68.868 0.073 0.000 0.962 445 T HN 1.076 nan 8.240 nan 0.000 0.438 446 G N 1.421 110.308 108.800 0.144 0.000 2.140 446 G HA2 -0.129 3.830 3.960 -0.003 0.000 0.211 446 G HA3 -0.129 3.830 3.960 -0.003 0.000 0.211 446 G C -0.365 174.667 174.900 0.220 0.000 1.013 446 G CA -0.189 45.013 45.100 0.170 0.000 0.705 446 G HN 1.035 nan 8.290 nan 0.000 0.508 447 L N 2.046 123.383 121.223 0.190 0.000 2.305 447 L HA 0.774 5.112 4.340 -0.003 0.000 0.281 447 L C 0.306 177.254 176.870 0.131 0.000 1.085 447 L CA -0.210 54.755 54.840 0.209 0.000 0.813 447 L CB 1.489 43.642 42.059 0.157 0.000 1.157 447 L HN 0.391 nan 8.230 nan 0.000 0.436 448 S N 2.543 118.316 115.700 0.121 0.000 2.647 448 S HA 0.755 5.223 4.470 -0.003 0.000 0.300 448 S C -0.213 174.420 174.600 0.055 0.000 1.129 448 S CA -0.587 57.653 58.200 0.067 0.000 1.029 448 S CB 1.268 64.505 63.200 0.062 0.000 1.007 448 S HN 0.814 nan 8.310 nan 0.000 0.484 449 T N -1.504 113.058 114.554 0.014 0.000 2.905 449 T HA 0.683 5.031 4.350 -0.003 0.000 0.283 449 T C 0.452 175.138 174.700 -0.023 0.000 1.031 449 T CA -0.571 61.529 62.100 -0.000 0.000 1.002 449 T CB 1.406 70.252 68.868 -0.037 0.000 1.200 449 T HN 0.650 nan 8.240 nan 0.000 0.560 450 S N -0.048 115.636 115.700 -0.026 0.000 2.526 450 S HA 0.383 4.852 4.470 -0.003 0.000 0.245 450 S C -0.029 174.526 174.600 -0.075 0.000 1.103 450 S CA -0.798 57.382 58.200 -0.033 0.000 1.095 450 S CB -0.979 62.222 63.200 0.001 0.000 0.826 450 S HN 0.584 nan 8.310 nan 0.000 0.468 451 L N 2.631 123.768 121.223 -0.143 0.000 2.349 451 L HA 0.467 4.805 4.340 -0.003 0.000 0.275 451 L C -2.119 174.605 176.870 -0.243 0.000 1.115 451 L CA -2.323 52.351 54.840 -0.276 0.000 0.820 451 L CB 0.784 42.540 42.059 -0.506 0.000 1.135 451 L HN 0.164 nan 8.230 nan 0.000 0.445 452 P HA 0.051 nan 4.420 nan 0.000 0.272 452 P C -0.555 176.720 177.300 -0.041 0.000 1.240 452 P CA -0.469 62.497 63.100 -0.223 0.000 0.791 452 P CB 0.199 31.651 31.700 -0.413 0.000 0.978 453 T N 0.699 115.234 114.554 -0.031 0.000 2.871 453 T HA 0.456 4.804 4.350 -0.003 0.000 0.296 453 T C 0.597 175.305 174.700 0.012 0.000 0.998 453 T CA 1.064 63.169 62.100 0.008 0.000 1.162 453 T CB -0.512 68.342 68.868 -0.024 0.000 0.947 453 T HN 0.793 nan 8.240 nan 0.000 0.536 454 G N 1.765 110.569 108.800 0.006 0.000 2.317 454 G HA2 0.403 4.362 3.960 -0.003 0.000 0.293 454 G HA3 0.403 4.362 3.960 -0.003 0.000 0.293 454 G C -1.251 173.485 174.900 -0.273 0.000 1.287 454 G CA -0.906 44.080 45.100 -0.190 0.000 0.850 454 G HN 0.558 nan 8.290 nan 0.000 0.515 455 S N -0.219 115.251 115.700 -0.384 0.000 2.457 455 S HA 0.643 5.111 4.470 -0.003 0.000 0.289 455 S C -1.311 172.979 174.600 -0.516 0.000 1.163 455 S CA -0.157 57.853 58.200 -0.317 0.000 1.078 455 S CB 0.521 63.605 63.200 -0.195 0.000 0.987 455 S HN 0.372 nan 8.310 nan 0.000 0.482 456 Y N 1.258 121.478 120.300 -0.134 0.000 2.328 456 Y HA 0.323 4.872 4.550 -0.003 0.000 0.337 456 Y C 0.997 176.926 175.900 0.048 0.000 0.966 456 Y CA -0.612 57.467 58.100 -0.034 0.000 1.136 456 Y CB 1.356 39.795 38.460 -0.036 0.000 1.170 456 Y HN 0.397 nan 8.280 nan 0.000 0.470 457 T N 2.758 117.443 114.554 0.218 0.000 2.897 457 T HA 0.020 4.369 4.350 -0.003 0.000 0.294 457 T C -0.453 174.459 174.700 0.353 0.000 1.004 457 T CA -0.442 61.799 62.100 0.234 0.000 1.106 457 T CB 0.137 69.069 68.868 0.106 0.000 0.949 457 T HN 0.622 nan 8.240 nan 0.000 0.520 458 D N 2.664 123.238 120.400 0.290 0.000 2.450 458 D HA 0.024 4.662 4.640 -0.003 0.000 0.247 458 D C 1.166 177.468 176.300 0.004 0.000 1.162 458 D CA -0.049 53.974 54.000 0.039 0.000 0.879 458 D CB 0.691 41.494 40.800 0.004 0.000 1.163 458 D HN 0.179 nan 8.370 nan 0.000 0.472 459 V N 4.379 124.257 119.914 -0.060 0.000 2.515 459 V HA -0.171 3.948 4.120 -0.003 0.000 0.250 459 V C 2.120 178.187 176.094 -0.045 0.000 1.058 459 V CA 1.158 63.436 62.300 -0.036 0.000 1.064 459 V CB -0.500 31.285 31.823 -0.063 0.000 0.675 459 V HN 0.664 nan 8.190 nan 0.000 0.461 460 L N 0.638 121.817 121.223 -0.074 0.000 2.610 460 L HA 0.197 4.536 4.340 -0.003 0.000 0.232 460 L C 1.844 178.702 176.870 -0.019 0.000 1.149 460 L CA 0.793 55.603 54.840 -0.050 0.000 0.872 460 L CB -0.778 41.240 42.059 -0.068 0.000 0.992 460 L HN 0.548 nan 8.230 nan 0.000 0.447 461 G N 0.129 108.925 108.800 -0.007 0.000 2.187 461 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.261 461 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.261 461 G C 0.973 175.884 174.900 0.018 0.000 1.000 461 G CA 0.389 45.497 45.100 0.013 0.000 0.718 461 G HN 0.709 nan 8.290 nan 0.000 0.519 462 G N -2.501 106.306 108.800 0.012 0.000 2.157 462 G HA2 -0.071 3.887 3.960 -0.003 0.000 0.248 462 G HA3 -0.071 3.887 3.960 -0.003 0.000 0.248 462 G C 1.675 176.586 174.900 0.019 0.000 0.979 462 G CA 1.562 46.674 45.100 0.021 0.000 0.650 462 G HN 2.125 nan 8.290 nan 0.000 0.529 463 V N -1.815 118.107 119.914 0.014 0.000 2.720 463 V HA 0.253 4.372 4.120 -0.003 0.000 0.256 463 V C 1.751 177.860 176.094 0.025 0.000 1.082 463 V CA 1.922 64.236 62.300 0.024 0.000 1.101 463 V CB -0.270 31.569 31.823 0.027 0.000 0.693 463 V HN 0.444 nan 8.190 nan 0.000 0.479 464 L N 0.900 122.130 121.223 0.012 0.000 3.154 464 L HA 0.439 4.778 4.340 -0.003 0.000 0.266 464 L C 0.402 177.284 176.870 0.021 0.000 1.300 464 L CA -0.180 54.669 54.840 0.014 0.000 1.028 464 L CB -0.735 41.322 42.059 -0.004 0.000 1.412 464 L HN 0.462 nan 8.230 nan 0.000 0.564 465 N N 0.057 118.774 118.700 0.029 0.000 2.708 465 N HA -0.175 4.564 4.740 -0.003 0.000 0.249 465 N C 0.674 176.215 175.510 0.053 0.000 1.097 465 N CA 0.692 53.767 53.050 0.042 0.000 0.710 465 N CB -0.764 37.752 38.487 0.049 0.000 1.032 465 N HN 0.598 nan 8.380 nan 0.000 0.551 466 G N 0.239 109.059 108.800 0.032 0.000 2.432 466 G HA2 0.326 4.284 3.960 -0.003 0.000 0.257 466 G HA3 0.326 4.284 3.960 -0.003 0.000 0.257 466 G C 0.422 175.379 174.900 0.095 0.000 1.238 466 G CA -0.365 44.756 45.100 0.035 0.000 0.838 466 G HN 0.424 nan 8.290 nan 0.000 0.547 467 N N 0.820 119.626 118.700 0.176 0.000 2.725 467 N HA 0.316 5.054 4.740 -0.003 0.000 0.312 467 N C -0.803 174.868 175.510 0.268 0.000 1.295 467 N CA -0.826 52.332 53.050 0.181 0.000 0.914 467 N CB 1.146 39.739 38.487 0.176 0.000 1.177 467 N HN 0.374 nan 8.380 nan 0.000 0.601 468 N N -0.817 117.953 118.700 0.116 0.000 2.328 468 N HA 0.568 5.307 4.740 -0.003 0.000 0.299 468 N C -0.367 174.965 175.510 -0.297 0.000 1.179 468 N CA -0.445 52.627 53.050 0.037 0.000 0.793 468 N CB 2.231 40.728 38.487 0.016 0.000 1.366 468 N HN 0.661 nan 8.380 nan 0.000 0.493 469 I N -2.916 117.327 120.570 -0.545 0.000 3.322 469 I HA 0.711 4.879 4.170 -0.003 0.000 0.313 469 I C -0.737 175.160 176.117 -0.365 0.000 1.129 469 I CA -0.713 60.171 61.300 -0.693 0.000 0.963 469 I CB 2.315 39.514 38.000 -1.334 0.000 1.273 469 I HN 0.184 nan 8.210 nan 0.000 0.473 470 T N 1.052 115.435 114.554 -0.285 0.000 3.011 470 T HA 0.335 4.684 4.350 -0.003 0.000 0.303 470 T C -0.680 173.970 174.700 -0.082 0.000 0.997 470 T CA -0.508 61.514 62.100 -0.130 0.000 1.007 470 T CB 1.335 70.136 68.868 -0.112 0.000 1.017 470 T HN 0.696 nan 8.240 nan 0.000 0.443 471 S N 2.497 118.211 115.700 0.024 0.000 2.499 471 S HA 0.590 5.058 4.470 -0.003 0.000 0.279 471 S C 0.024 174.621 174.600 -0.005 0.000 1.219 471 S CA -0.510 57.691 58.200 0.000 0.000 1.062 471 S CB 0.146 63.371 63.200 0.042 0.000 0.978 471 S HN 0.782 nan 8.310 nan 0.000 0.489 472 T N 2.909 117.450 114.554 -0.021 0.000 3.209 472 T HA 0.426 4.774 4.350 -0.003 0.000 0.366 472 T C -0.276 174.413 174.700 -0.018 0.000 1.293 472 T CA -0.870 61.218 62.100 -0.019 0.000 1.417 472 T CB -0.358 68.499 68.868 -0.019 0.000 1.013 472 T HN 0.730 nan 8.240 nan 0.000 0.572 473 N N 1.081 119.768 118.700 -0.023 0.000 2.818 473 N HA -0.155 4.584 4.740 -0.003 0.000 0.250 473 N C 1.205 176.697 175.510 -0.031 0.000 1.108 473 N CA 1.923 54.956 53.050 -0.028 0.000 0.745 473 N CB -1.311 37.164 38.487 -0.019 0.000 1.104 473 N HN 1.263 nan 8.380 nan 0.000 0.557 474 G N -2.871 105.906 108.800 -0.039 0.000 2.436 474 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.204 474 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.204 474 G C 0.007 174.889 174.900 -0.031 0.000 1.026 474 G CA 0.016 45.089 45.100 -0.044 0.000 0.658 474 G HN 0.457 nan 8.290 nan 0.000 0.499 475 S N 2.475 118.166 115.700 -0.015 0.000 2.474 475 S HA 0.587 5.055 4.470 -0.003 0.000 0.276 475 S C 0.471 175.062 174.600 -0.015 0.000 1.227 475 S CA -0.321 57.879 58.200 -0.000 0.000 1.050 475 S CB 0.641 63.849 63.200 0.012 0.000 0.939 475 S HN 0.346 nan 8.310 nan 0.000 0.490 476 I N 4.034 124.598 120.570 -0.010 0.000 2.428 476 I HA 0.231 4.399 4.170 -0.003 0.000 0.289 476 I C 0.507 176.636 176.117 0.019 0.000 1.019 476 I CA -0.684 60.592 61.300 -0.041 0.000 1.351 476 I CB 0.309 38.272 38.000 -0.063 0.000 1.412 476 I HN 0.443 nan 8.210 nan 0.000 0.513 477 N N 4.946 123.638 118.700 -0.012 0.000 2.529 477 N HA 0.109 4.848 4.740 -0.003 0.000 0.278 477 N C -0.150 175.444 175.510 0.139 0.000 1.146 477 N CA -0.388 52.683 53.050 0.035 0.000 0.980 477 N CB 0.225 38.708 38.487 -0.006 0.000 1.124 477 N HN 0.371 nan 8.380 nan 0.000 0.458 478 N N 1.127 119.899 118.700 0.119 0.000 2.151 478 N HA -0.025 4.714 4.740 -0.003 0.000 0.265 478 N C -0.630 175.009 175.510 0.214 0.000 1.254 478 N CA 0.771 53.894 53.050 0.121 0.000 0.823 478 N CB -0.300 38.219 38.487 0.053 0.000 1.061 478 N HN 0.443 nan 8.380 nan 0.000 0.472 479 F N -2.841 117.067 119.950 -0.071 0.000 2.678 479 F HA 0.470 4.995 4.527 -0.003 0.000 0.308 479 F C -0.648 175.116 175.800 -0.059 0.000 1.118 479 F CA -1.310 56.654 58.000 -0.061 0.000 0.959 479 F CB 0.366 39.323 39.000 -0.071 0.000 1.305 479 F HN 0.169 nan 8.300 nan 0.000 0.443 480 T N 2.457 117.063 114.554 0.087 0.000 2.749 480 T HA 0.513 4.862 4.350 -0.003 0.000 0.295 480 T C -0.633 174.140 174.700 0.121 0.000 0.936 480 T CA -0.368 61.736 62.100 0.006 0.000 1.060 480 T CB 1.067 69.962 68.868 0.045 0.000 0.904 480 T HN 0.765 nan 8.240 nan 0.000 0.500 481 L N 3.972 125.196 121.223 0.002 0.000 2.265 481 L HA 0.649 4.988 4.340 -0.003 0.000 0.288 481 L C 0.525 177.437 176.870 0.069 0.000 1.058 481 L CA -0.311 54.600 54.840 0.119 0.000 0.809 481 L CB -0.138 41.937 42.059 0.027 0.000 1.179 481 L HN 0.886 nan 8.230 nan 0.000 0.429 482 A N 4.435 127.314 122.820 0.098 0.000 2.346 482 A HA 0.620 4.938 4.320 -0.003 0.000 0.255 482 A C 0.348 177.969 177.584 0.060 0.000 1.113 482 A CA 0.054 52.134 52.037 0.071 0.000 0.798 482 A CB -0.186 18.858 19.000 0.074 0.000 1.073 482 A HN 1.135 nan 8.150 nan 0.000 0.502 483 A N -0.595 122.256 122.820 0.052 0.000 2.492 483 A HA 0.482 4.800 4.320 -0.003 0.000 0.254 483 A C 1.522 179.142 177.584 0.060 0.000 1.091 483 A CA 0.638 52.706 52.037 0.052 0.000 0.768 483 A CB -1.113 17.914 19.000 0.044 0.000 1.028 483 A HN 2.729 nan 8.150 nan 0.000 0.498 484 G N 0.972 109.814 108.800 0.071 0.000 2.168 484 G HA2 0.104 4.062 3.960 -0.003 0.000 0.257 484 G HA3 0.104 4.062 3.960 -0.003 0.000 0.257 484 G C 0.600 175.547 174.900 0.077 0.000 0.997 484 G CA 0.712 45.861 45.100 0.082 0.000 0.708 484 G HN 2.064 nan 8.290 nan 0.000 0.520 485 A N -1.034 121.832 122.820 0.076 0.000 2.296 485 A HA 0.932 5.251 4.320 -0.003 0.000 0.264 485 A C 0.658 178.281 177.584 0.065 0.000 1.097 485 A CA 0.944 53.021 52.037 0.067 0.000 0.811 485 A CB 1.156 20.204 19.000 0.080 0.000 1.072 485 A HN 1.950 nan 8.150 nan 0.000 0.495 486 T N -1.567 113.002 114.554 0.025 0.000 3.159 486 T HA 0.602 4.951 4.350 -0.003 0.000 0.343 486 T C -0.948 173.679 174.700 -0.121 0.000 1.364 486 T CA 0.228 62.316 62.100 -0.020 0.000 1.102 486 T CB 0.906 69.779 68.868 0.009 0.000 1.263 486 T HN 2.014 nan 8.240 nan 0.000 0.477 487 A N 2.864 125.523 122.820 -0.268 0.000 2.380 487 A HA 0.946 5.264 4.320 -0.003 0.000 0.315 487 A C -1.054 176.053 177.584 -0.796 0.000 1.101 487 A CA -0.712 50.953 52.037 -0.620 0.000 0.771 487 A CB 2.032 20.468 19.000 -0.939 0.000 1.287 487 A HN 1.100 nan 8.150 nan 0.000 0.436 488 V N 1.593 120.968 119.914 -0.899 0.000 2.777 488 V HA 0.569 4.687 4.120 -0.003 0.000 0.306 488 V C -1.513 174.187 176.094 -0.658 0.000 1.112 488 V CA -0.460 61.452 62.300 -0.647 0.000 0.917 488 V CB 1.787 33.418 31.823 -0.320 0.000 1.018 488 V HN 0.869 nan 8.190 nan 0.000 0.426 489 W N 3.851 125.113 121.300 -0.064 0.000 2.957 489 W HA 0.728 5.386 4.660 -0.002 0.000 0.336 489 W C -0.469 176.017 176.519 -0.055 0.000 1.087 489 W CA -0.694 56.636 57.345 -0.026 0.000 1.235 489 W CB 2.194 31.625 29.460 -0.047 0.000 1.399 489 W HN 0.719 nan 8.180 nan 0.000 0.480 490 Q N 1.113 121.034 119.800 0.203 0.000 2.605 490 Q HA 0.768 5.107 4.340 -0.003 0.000 0.296 490 Q C -1.973 174.156 176.000 0.216 0.000 1.056 490 Q CA -1.143 54.732 55.803 0.120 0.000 0.778 490 Q CB 3.208 31.982 28.738 0.060 0.000 1.497 490 Q HN 0.318 nan 8.270 nan 0.000 0.443 491 Y N 0.252 120.576 120.300 0.041 0.000 2.401 491 Y HA 0.636 5.184 4.550 -0.003 0.000 0.330 491 Y C -1.763 174.178 175.900 0.067 0.000 1.071 491 Y CA -0.147 58.009 58.100 0.093 0.000 1.049 491 Y CB 2.119 40.622 38.460 0.071 0.000 1.239 491 Y HN 0.967 nan 8.280 nan 0.000 0.437 492 T N 1.741 115.856 114.554 -0.732 0.000 2.906 492 T HA 0.854 5.202 4.350 -0.003 0.000 0.295 492 T C -0.774 173.540 174.700 -0.644 0.000 1.061 492 T CA -0.896 60.855 62.100 -0.583 0.000 1.000 492 T CB 2.180 70.916 68.868 -0.220 0.000 1.103 492 T HN 0.671 nan 8.240 nan 0.000 0.486 493 T N 0.158 114.499 114.554 -0.356 0.000 2.830 493 T HA 0.626 4.974 4.350 -0.003 0.000 0.322 493 T C -0.995 173.665 174.700 -0.066 0.000 1.501 493 T CA -0.297 61.703 62.100 -0.168 0.000 1.036 493 T CB 1.232 70.057 68.868 -0.072 0.000 1.379 493 T HN 1.191 nan 8.240 nan 0.000 0.493 494 A N 2.385 125.185 122.820 -0.032 0.000 2.545 494 A HA 0.433 4.751 4.320 -0.003 0.000 0.253 494 A C 0.323 177.898 177.584 -0.015 0.000 1.074 494 A CA 0.301 52.329 52.037 -0.016 0.000 0.760 494 A CB -0.216 18.781 19.000 -0.006 0.000 1.005 494 A HN 0.698 nan 8.150 nan 0.000 0.506 495 E N 1.002 121.185 120.200 -0.028 0.000 2.374 495 E HA 0.437 4.786 4.350 -0.003 0.000 0.260 495 E C 0.581 177.158 176.600 -0.040 0.000 1.101 495 E CA 0.953 57.320 56.400 -0.054 0.000 0.907 495 E CB 0.603 30.243 29.700 -0.101 0.000 1.014 495 E HN 0.641 nan 8.360 nan 0.000 0.427 496 T N -0.937 113.596 114.554 -0.036 0.000 3.884 496 T HA 0.349 4.697 4.350 -0.003 0.000 0.284 496 T C -0.776 173.918 174.700 -0.010 0.000 0.961 496 T CA -0.692 61.401 62.100 -0.010 0.000 1.071 496 T CB -0.191 68.678 68.868 0.001 0.000 1.121 496 T HN 0.265 nan 8.240 nan 0.000 0.496 497 T N 2.956 117.490 114.554 -0.032 0.000 3.193 497 T HA 0.450 4.799 4.350 -0.003 0.000 0.332 497 T C -3.318 171.354 174.700 -0.047 0.000 1.208 497 T CA -1.209 60.877 62.100 -0.023 0.000 1.080 497 T CB 2.492 71.329 68.868 -0.051 0.000 1.180 497 T HN -0.079 nan 8.240 nan 0.000 0.469 498 P HA 0.157 nan 4.420 nan 0.000 0.260 498 P C -0.540 176.734 177.300 -0.042 0.000 1.185 498 P CA 0.373 63.519 63.100 0.076 0.000 0.763 498 P CB 0.359 32.239 31.700 0.301 0.000 0.776 499 T N 4.588 118.995 114.554 -0.244 0.000 3.031 499 T HA 0.365 4.714 4.350 -0.003 0.000 0.305 499 T C -0.112 174.549 174.700 -0.065 0.000 0.985 499 T CA -0.654 61.354 62.100 -0.154 0.000 1.008 499 T CB 0.147 68.814 68.868 -0.335 0.000 1.005 499 T HN 0.144 nan 8.240 nan 0.000 0.444 500 I N 5.100 125.768 120.570 0.162 0.000 2.483 500 I HA 0.202 4.371 4.170 -0.003 0.000 0.291 500 I C 1.689 177.948 176.117 0.237 0.000 1.112 500 I CA 0.129 61.580 61.300 0.251 0.000 1.350 500 I CB 0.805 38.951 38.000 0.243 0.000 1.419 500 I HN 0.877 nan 8.210 nan 0.000 0.523 501 G N 5.831 114.618 108.800 -0.023 0.000 2.404 501 G HA2 -0.094 3.865 3.960 -0.003 0.000 0.213 501 G HA3 -0.094 3.865 3.960 -0.003 0.000 0.213 501 G C 0.612 175.442 174.900 -0.116 0.000 1.189 501 G CA 0.437 45.216 45.100 -0.534 0.000 0.796 501 G HN 0.640 nan 8.290 nan 0.000 0.532 502 H N -1.750 117.183 119.070 -0.229 0.000 3.016 502 H HA 0.589 5.143 4.556 -0.003 0.000 0.362 502 H C -1.953 173.051 175.328 -0.541 0.000 1.233 502 H CA -0.510 55.465 56.048 -0.122 0.000 1.124 502 H CB 2.370 32.144 29.762 0.020 0.000 1.850 502 H HN -0.032 nan 8.280 nan 0.000 0.549 503 V N 1.283 120.395 119.914 -1.336 0.000 2.789 503 V HA 0.669 4.788 4.120 -0.003 0.000 0.311 503 V C -0.122 175.611 176.094 -0.602 0.000 1.073 503 V CA -0.116 61.670 62.300 -0.857 0.000 0.921 503 V CB 1.903 33.159 31.823 -0.945 0.000 1.009 503 V HN 0.921 nan 8.190 nan 0.000 0.426 504 G N 3.914 112.611 108.800 -0.171 0.000 2.759 504 G HA2 0.673 4.632 3.960 -0.003 0.000 0.297 504 G HA3 0.673 4.632 3.960 -0.003 0.000 0.297 504 G C -3.281 171.614 174.900 -0.009 0.000 1.434 504 G CA -1.126 43.972 45.100 -0.003 0.000 0.980 504 G HN 0.490 nan 8.290 nan 0.000 0.531 505 P HA 0.074 nan 4.420 nan 0.000 0.271 505 P C 1.048 178.180 177.300 -0.279 0.000 1.233 505 P CA 0.094 62.986 63.100 -0.346 0.000 0.795 505 P CB 1.097 32.136 31.700 -1.102 0.000 0.936 506 V N -3.089 116.582 119.914 -0.405 0.000 3.376 506 V HA 0.377 4.496 4.120 -0.003 0.000 0.313 506 V C 0.642 176.023 176.094 -1.188 0.000 1.393 506 V CA 0.368 62.272 62.300 -0.658 0.000 1.125 506 V CB -0.590 31.074 31.823 -0.266 0.000 1.037 506 V HN 0.483 nan 8.190 nan 0.000 0.440 507 M N 0.877 119.979 119.600 -0.830 0.000 2.371 507 M HA 0.750 5.228 4.480 -0.003 0.000 0.287 507 M C -0.658 175.493 176.300 -0.248 0.000 1.149 507 M CA 0.193 55.174 55.300 -0.532 0.000 0.929 507 M CB 2.076 34.536 32.600 -0.234 0.000 1.683 507 M HN 0.392 nan 8.290 nan 0.000 0.470 508 G N 3.491 112.277 108.800 -0.023 0.000 2.451 508 G HA2 0.366 4.325 3.960 -0.003 0.000 0.292 508 G HA3 0.366 4.325 3.960 -0.003 0.000 0.292 508 G C -2.192 172.782 174.900 0.124 0.000 1.427 508 G CA -0.941 44.214 45.100 0.092 0.000 0.792 508 G HN 0.890 nan 8.290 nan 0.000 0.498 509 K N -0.287 120.166 120.400 0.089 0.000 2.090 509 K HA 0.650 4.969 4.320 -0.003 0.000 0.249 509 K C -2.625 173.988 176.600 0.021 0.000 0.995 509 K CA -1.498 54.825 56.287 0.061 0.000 0.914 509 K CB 1.269 33.796 32.500 0.045 0.000 1.057 509 K HN 0.152 nan 8.250 nan 0.000 0.462 510 P HA -0.154 nan 4.420 nan 0.000 0.265 510 P C 0.649 177.914 177.300 -0.059 0.000 1.167 510 P CA 1.821 64.876 63.100 -0.076 0.000 0.760 510 P CB 0.250 31.913 31.700 -0.061 0.000 0.783 511 G N 1.412 110.157 108.800 -0.092 0.000 2.284 511 G HA2 -0.253 3.706 3.960 -0.003 0.000 0.247 511 G HA3 -0.253 3.706 3.960 -0.003 0.000 0.247 511 G C 0.457 175.328 174.900 -0.048 0.000 1.012 511 G CA -0.204 44.857 45.100 -0.066 0.000 0.618 511 G HN 0.562 nan 8.290 nan 0.000 0.521 512 N N 0.043 118.724 118.700 -0.030 0.000 2.482 512 N HA 0.433 5.171 4.740 -0.003 0.000 0.260 512 N C -0.074 175.424 175.510 -0.020 0.000 1.236 512 N CA 0.321 53.372 53.050 0.001 0.000 0.938 512 N CB 1.838 40.352 38.487 0.044 0.000 1.128 512 N HN 0.463 nan 8.380 nan 0.000 0.448 513 V N 2.235 122.145 119.914 -0.007 0.000 2.459 513 V HA 0.534 4.653 4.120 -0.003 0.000 0.295 513 V C -0.099 175.997 176.094 0.004 0.000 1.029 513 V CA -0.610 61.679 62.300 -0.019 0.000 0.874 513 V CB 1.353 33.159 31.823 -0.029 0.000 0.985 513 V HN 0.439 nan 8.190 nan 0.000 0.438 514 V N 4.035 123.956 119.914 0.013 0.000 3.193 514 V HA 0.834 4.952 4.120 -0.003 0.000 0.320 514 V C -0.116 175.959 176.094 -0.031 0.000 1.112 514 V CA -0.337 61.979 62.300 0.026 0.000 1.026 514 V CB 2.016 33.911 31.823 0.120 0.000 1.128 514 V HN 0.869 nan 8.190 nan 0.000 0.452 515 T N 2.354 116.881 114.554 -0.045 0.000 2.861 515 T HA 0.751 5.099 4.350 -0.003 0.000 0.287 515 T C -0.666 173.957 174.700 -0.128 0.000 1.003 515 T CA 0.022 62.074 62.100 -0.081 0.000 0.977 515 T CB 1.243 70.089 68.868 -0.036 0.000 0.996 515 T HN 0.627 nan 8.240 nan 0.000 0.448 516 I N 3.010 123.460 120.570 -0.200 0.000 2.420 516 I HA 0.318 4.486 4.170 -0.003 0.000 0.282 516 I C -0.483 175.561 176.117 -0.121 0.000 1.019 516 I CA -0.577 60.576 61.300 -0.245 0.000 1.130 516 I CB 1.351 39.105 38.000 -0.409 0.000 1.262 516 I HN 0.483 nan 8.210 nan 0.000 0.454 517 D N 4.425 124.810 120.400 -0.025 0.000 2.229 517 D HA 0.805 5.443 4.640 -0.003 0.000 0.249 517 D C 0.304 176.599 176.300 -0.009 0.000 1.027 517 D CA 0.071 54.090 54.000 0.031 0.000 0.923 517 D CB 2.206 43.023 40.800 0.030 0.000 1.174 517 D HN 0.711 nan 8.370 nan 0.000 0.443 518 G N 0.336 109.100 108.800 -0.060 0.000 2.348 518 G HA2 0.380 4.338 3.960 -0.003 0.000 0.296 518 G HA3 0.380 4.338 3.960 -0.003 0.000 0.296 518 G C -1.224 173.418 174.900 -0.430 0.000 1.258 518 G CA -0.607 44.286 45.100 -0.345 0.000 0.868 518 G HN 0.242 nan 8.290 nan 0.000 0.488 519 R N -1.195 118.986 120.500 -0.531 0.000 2.912 519 R HA 0.689 5.028 4.340 -0.003 0.000 0.262 519 R C 0.884 176.848 176.300 -0.561 0.000 1.057 519 R CA -0.234 55.663 56.100 -0.338 0.000 0.981 519 R CB 0.866 31.166 30.300 -0.001 0.000 1.201 519 R HN 2.031 nan 8.270 nan 0.000 0.484 520 G N 1.230 109.871 108.800 -0.265 0.000 2.361 520 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.294 520 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.294 520 G C 0.275 175.134 174.900 -0.068 0.000 1.004 520 G CA 0.757 45.770 45.100 -0.146 0.000 0.870 520 G HN 0.437 nan 8.290 nan 0.000 0.510 521 F N 0.781 120.775 119.950 0.073 0.000 2.661 521 F HA 0.362 4.887 4.527 -0.003 0.000 0.298 521 F C 2.141 178.161 175.800 0.367 0.000 1.137 521 F CA 0.761 58.853 58.000 0.153 0.000 1.454 521 F CB -0.493 38.470 39.000 -0.062 0.000 1.103 521 F HN 0.791 nan 8.300 nan 0.000 0.577 522 G N 0.348 109.384 108.800 0.393 0.000 2.752 522 G HA2 -0.218 3.741 3.960 -0.003 0.000 0.234 522 G HA3 -0.218 3.741 3.960 -0.003 0.000 0.234 522 G C 0.528 175.688 174.900 0.434 0.000 1.367 522 G CA 0.026 45.319 45.100 0.323 0.000 0.879 522 G HN 0.546 nan 8.290 nan 0.000 0.563 523 S N -1.816 114.015 115.700 0.218 0.000 2.846 523 S HA 0.483 4.951 4.470 -0.003 0.000 0.249 523 S C 0.293 174.839 174.600 -0.090 0.000 1.028 523 S CA 0.834 59.137 58.200 0.172 0.000 1.043 523 S CB 0.514 63.782 63.200 0.114 0.000 0.990 523 S HN 1.681 nan 8.310 nan 0.000 0.564 524 T N 0.486 114.843 114.554 -0.327 0.000 2.912 524 T HA 0.481 4.830 4.350 -0.003 0.000 0.326 524 T C -0.494 173.631 174.700 -0.958 0.000 1.080 524 T CA -0.732 61.104 62.100 -0.440 0.000 1.000 524 T CB 1.231 69.948 68.868 -0.252 0.000 1.008 524 T HN 0.104 nan 8.240 nan 0.000 0.473 525 K N 2.937 122.780 120.400 -0.929 0.000 2.362 525 K HA 0.151 4.470 4.320 -0.003 0.000 0.261 525 K C 0.891 176.944 176.600 -0.912 0.000 1.195 525 K CA 0.538 56.246 56.287 -0.964 0.000 1.233 525 K CB -0.706 31.596 32.500 -0.330 0.000 0.795 525 K HN 0.832 nan 8.250 nan 0.000 0.498 526 G N 1.843 109.751 108.800 -1.486 0.000 2.890 526 G HA2 0.377 4.336 3.960 -0.003 0.000 0.189 526 G HA3 0.377 4.336 3.960 -0.003 0.000 0.189 526 G C -0.865 173.892 174.900 -0.238 0.000 1.342 526 G CA -0.471 44.210 45.100 -0.698 0.000 1.026 526 G HN 0.523 nan 8.290 nan 0.000 0.579 527 T N -0.601 113.925 114.554 -0.046 0.000 2.824 527 T HA 0.487 4.835 4.350 -0.003 0.000 0.282 527 T C -0.802 173.863 174.700 -0.057 0.000 0.993 527 T CA -0.348 61.698 62.100 -0.091 0.000 0.967 527 T CB 1.250 69.953 68.868 -0.275 0.000 0.960 527 T HN 0.247 nan 8.240 nan 0.000 0.441 528 V N 6.431 126.309 119.914 -0.060 0.000 2.406 528 V HA 0.353 4.471 4.120 -0.003 0.000 0.272 528 V C -0.869 175.156 176.094 -0.114 0.000 1.043 528 V CA -0.529 61.736 62.300 -0.059 0.000 0.915 528 V CB 0.311 32.130 31.823 -0.007 0.000 0.988 528 V HN 0.833 nan 8.190 nan 0.000 0.466 529 Y N 4.739 125.014 120.300 -0.042 0.000 2.434 529 Y HA 0.435 4.983 4.550 -0.003 0.000 0.341 529 Y C 0.002 175.810 175.900 -0.153 0.000 0.965 529 Y CA -0.626 57.454 58.100 -0.033 0.000 1.205 529 Y CB 0.789 39.236 38.460 -0.021 0.000 1.121 529 Y HN 0.539 nan 8.280 nan 0.000 0.507 530 F N 3.244 123.182 119.950 -0.020 0.000 2.462 530 F HA 0.396 4.921 4.527 -0.003 0.000 0.354 530 F C 1.197 176.937 175.800 -0.100 0.000 1.192 530 F CA 0.435 58.332 58.000 -0.171 0.000 1.173 530 F CB 0.103 38.886 39.000 -0.362 0.000 1.402 530 F HN 0.838 nan 8.300 nan 0.000 0.595 531 G N 2.168 111.040 108.800 0.122 0.000 2.950 531 G HA2 -0.400 3.558 3.960 -0.003 0.000 0.299 531 G HA3 -0.400 3.558 3.960 -0.003 0.000 0.299 531 G C 1.067 176.054 174.900 0.144 0.000 1.310 531 G CA 0.534 45.768 45.100 0.222 0.000 0.994 531 G HN 0.532 nan 8.290 nan 0.000 0.575 532 T N 1.099 115.758 114.554 0.174 0.000 3.092 532 T HA 0.502 4.850 4.350 -0.003 0.000 0.258 532 T C 0.356 175.198 174.700 0.236 0.000 1.031 532 T CA 1.545 63.733 62.100 0.146 0.000 0.925 532 T CB -0.169 68.769 68.868 0.116 0.000 1.036 532 T HN 0.651 nan 8.240 nan 0.000 0.544 533 T N 2.402 117.109 114.554 0.255 0.000 2.786 533 T HA 0.719 5.067 4.350 -0.003 0.000 0.283 533 T C -0.193 174.602 174.700 0.158 0.000 0.992 533 T CA -0.544 61.658 62.100 0.169 0.000 0.954 533 T CB 1.373 70.278 68.868 0.061 0.000 0.934 533 T HN 0.306 nan 8.240 nan 0.000 0.440 534 A N 3.293 126.125 122.820 0.020 0.000 2.401 534 A HA 0.628 4.946 4.320 -0.003 0.000 0.259 534 A C -0.108 177.389 177.584 -0.146 0.000 1.103 534 A CA -0.386 51.489 52.037 -0.271 0.000 0.789 534 A CB 0.289 19.108 19.000 -0.301 0.000 1.035 534 A HN 0.679 nan 8.150 nan 0.000 0.491 535 V N 2.923 122.747 119.914 -0.149 0.000 2.540 535 V HA 0.702 4.821 4.120 -0.003 0.000 0.302 535 V C 0.282 176.326 176.094 -0.084 0.000 1.035 535 V CA 0.154 62.406 62.300 -0.080 0.000 0.873 535 V CB 1.856 33.667 31.823 -0.020 0.000 0.992 535 V HN 1.221 nan 8.190 nan 0.000 0.428 536 T N 0.800 115.312 114.554 -0.071 0.000 2.812 536 T HA 0.834 5.182 4.350 -0.003 0.000 0.294 536 T C 0.605 175.275 174.700 -0.049 0.000 1.159 536 T CA 0.074 62.134 62.100 -0.067 0.000 1.008 536 T CB 1.519 70.334 68.868 -0.089 0.000 1.289 536 T HN 1.585 nan 8.240 nan 0.000 0.514 537 G N 1.237 110.003 108.800 -0.056 0.000 2.634 537 G HA2 -0.153 3.805 3.960 -0.003 0.000 0.318 537 G HA3 -0.153 3.805 3.960 -0.003 0.000 0.318 537 G C 1.298 176.180 174.900 -0.030 0.000 1.207 537 G CA 1.345 46.415 45.100 -0.050 0.000 0.987 537 G HN 1.852 nan 8.290 nan 0.000 0.547 538 A N -0.085 122.715 122.820 -0.033 0.000 2.067 538 A HA 0.535 4.853 4.320 -0.003 0.000 0.217 538 A C 2.823 180.390 177.584 -0.028 0.000 1.156 538 A CA 2.357 54.378 52.037 -0.027 0.000 0.683 538 A CB -0.671 18.311 19.000 -0.029 0.000 0.808 538 A HN 2.100 nan 8.150 nan 0.000 0.455 539 A N -0.112 122.686 122.820 -0.036 0.000 2.067 539 A HA 0.155 4.473 4.320 -0.003 0.000 0.219 539 A C 0.971 178.535 177.584 -0.035 0.000 1.158 539 A CA 0.421 52.429 52.037 -0.048 0.000 0.661 539 A CB -0.437 18.523 19.000 -0.066 0.000 0.801 539 A HN 0.459 nan 8.150 nan 0.000 0.452 540 I N 1.405 121.971 120.570 -0.006 0.000 2.322 540 I HA 0.041 4.210 4.170 -0.003 0.000 0.292 540 I C 1.816 177.945 176.117 0.020 0.000 1.060 540 I CA 0.200 61.516 61.300 0.026 0.000 1.309 540 I CB 1.249 39.315 38.000 0.110 0.000 1.415 540 I HN 0.360 nan 8.210 nan 0.000 0.492 541 T N 1.140 115.693 114.554 -0.002 0.000 2.896 541 T HA 0.031 4.380 4.350 -0.003 0.000 0.263 541 T C 0.700 175.406 174.700 0.011 0.000 1.050 541 T CA 0.364 62.462 62.100 -0.005 0.000 1.140 541 T CB 0.087 68.942 68.868 -0.022 0.000 0.877 541 T HN 0.530 nan 8.240 nan 0.000 0.457 542 S N -0.255 115.454 115.700 0.015 0.000 2.546 542 S HA 0.582 5.051 4.470 -0.003 0.000 0.274 542 S C -2.053 172.597 174.600 0.084 0.000 1.121 542 S CA -1.022 57.201 58.200 0.038 0.000 0.887 542 S CB 1.991 65.188 63.200 -0.004 0.000 1.094 542 S HN 0.476 nan 8.310 nan 0.000 0.474 543 W N 2.191 123.456 121.300 -0.059 0.000 2.968 543 W HA 0.522 5.181 4.660 -0.003 0.000 0.337 543 W C -1.318 175.188 176.519 -0.021 0.000 1.060 543 W CA -0.341 56.965 57.345 -0.065 0.000 1.240 543 W CB 1.281 30.701 29.460 -0.068 0.000 1.370 543 W HN 0.874 nan 8.180 nan 0.000 0.459 544 E N 2.257 122.537 120.200 0.135 0.000 2.408 544 E HA 0.037 4.385 4.350 -0.003 0.000 0.275 544 E C -0.168 176.539 176.600 0.178 0.000 0.935 544 E CA -0.478 56.030 56.400 0.180 0.000 0.775 544 E CB 2.753 32.500 29.700 0.079 0.000 1.277 544 E HN 0.383 nan 8.360 nan 0.000 0.455 545 D N -0.220 120.311 120.400 0.219 0.000 2.158 545 D HA -0.160 4.478 4.640 -0.003 0.000 0.197 545 D C 1.506 177.940 176.300 0.224 0.000 0.995 545 D CA 2.241 56.379 54.000 0.230 0.000 0.846 545 D CB 0.358 41.233 40.800 0.126 0.000 0.941 545 D HN 0.451 nan 8.370 nan 0.000 0.456 546 T N -3.395 111.262 114.554 0.173 0.000 3.054 546 T HA 0.138 4.486 4.350 -0.003 0.000 0.255 546 T C 0.454 175.302 174.700 0.245 0.000 1.035 546 T CA -0.538 61.661 62.100 0.166 0.000 0.941 546 T CB 0.516 69.419 68.868 0.059 0.000 1.026 546 T HN 0.079 nan 8.240 nan 0.000 0.533 547 Q N 0.433 120.299 119.800 0.111 0.000 2.313 547 Q HA 0.572 4.911 4.340 -0.003 0.000 0.255 547 Q C -2.056 173.761 176.000 -0.305 0.000 0.944 547 Q CA -0.677 55.080 55.803 -0.077 0.000 0.881 547 Q CB 1.674 30.383 28.738 -0.049 0.000 1.375 547 Q HN 0.437 nan 8.270 nan 0.000 0.422 548 I N 2.438 122.699 120.570 -0.515 0.000 2.603 548 I HA 0.539 4.707 4.170 -0.003 0.000 0.300 548 I C -0.615 175.306 176.117 -0.327 0.000 1.017 548 I CA -0.764 60.191 61.300 -0.575 0.000 1.098 548 I CB 2.179 39.547 38.000 -1.053 0.000 1.279 548 I HN 0.373 nan 8.210 nan 0.000 0.437 549 K N 3.721 123.997 120.400 -0.207 0.000 2.378 549 K HA 0.811 5.129 4.320 -0.003 0.000 0.252 549 K C -1.709 174.837 176.600 -0.089 0.000 0.931 549 K CA -0.745 55.467 56.287 -0.125 0.000 0.794 549 K CB 2.896 35.347 32.500 -0.082 0.000 1.181 549 K HN 0.318 nan 8.250 nan 0.000 0.425 550 V N 2.357 122.230 119.914 -0.070 0.000 2.789 550 V HA 0.209 4.328 4.120 -0.003 0.000 0.300 550 V C -0.907 175.147 176.094 -0.067 0.000 1.184 550 V CA -0.525 61.746 62.300 -0.048 0.000 0.930 550 V CB 2.358 34.170 31.823 -0.019 0.000 1.041 550 V HN 0.864 nan 8.190 nan 0.000 0.430 551 T N 7.183 121.678 114.554 -0.098 0.000 2.937 551 T HA 0.274 4.622 4.350 -0.003 0.000 0.316 551 T C 0.156 174.671 174.700 -0.309 0.000 1.079 551 T CA 0.027 62.038 62.100 -0.149 0.000 1.131 551 T CB 0.118 68.912 68.868 -0.124 0.000 1.000 551 T HN 0.409 nan 8.240 nan 0.000 0.549 552 I N 5.721 126.080 120.570 -0.351 0.000 2.379 552 I HA 0.200 4.369 4.170 -0.003 0.000 0.290 552 I C -1.592 174.230 176.117 -0.490 0.000 1.063 552 I CA -3.404 57.536 61.300 -0.601 0.000 1.351 552 I CB -0.066 37.736 38.000 -0.330 0.000 1.410 552 I HN 0.385 nan 8.210 nan 0.000 0.505 553 P HA 0.044 nan 4.420 nan 0.000 0.269 553 P C -0.304 176.845 177.300 -0.253 0.000 1.215 553 P CA -0.290 62.592 63.100 -0.363 0.000 0.780 553 P CB 0.433 31.913 31.700 -0.366 0.000 0.898 554 S N 0.641 116.250 115.700 -0.151 0.000 3.919 554 S HA 0.230 4.699 4.470 -0.003 0.000 0.245 554 S C 0.710 175.271 174.600 -0.065 0.000 1.344 554 S CA -0.612 57.535 58.200 -0.089 0.000 0.896 554 S CB -1.139 62.027 63.200 -0.058 0.000 1.557 554 S HN 0.278 nan 8.310 nan 0.000 0.468 555 V N -0.275 119.592 119.914 -0.079 0.000 3.096 555 V HA 0.882 5.000 4.120 -0.003 0.000 0.319 555 V C 0.658 176.796 176.094 0.073 0.000 1.082 555 V CA -1.672 60.617 62.300 -0.018 0.000 1.022 555 V CB 0.489 32.253 31.823 -0.099 0.000 1.103 555 V HN 0.550 nan 8.190 nan 0.000 0.455 556 A N 0.781 123.686 122.820 0.141 0.000 2.507 556 A HA 0.609 4.927 4.320 -0.003 0.000 0.235 556 A C 0.691 178.412 177.584 0.229 0.000 1.070 556 A CA 0.391 52.522 52.037 0.157 0.000 0.768 556 A CB -0.401 18.691 19.000 0.154 0.000 1.011 556 A HN 1.986 nan 8.150 nan 0.000 0.502 557 A N 0.586 123.509 122.820 0.172 0.000 2.313 557 A HA 0.771 5.089 4.320 -0.003 0.000 0.261 557 A C 0.835 178.519 177.584 0.167 0.000 1.090 557 A CA 0.493 52.653 52.037 0.205 0.000 0.807 557 A CB 0.293 19.367 19.000 0.123 0.000 1.055 557 A HN 2.691 nan 8.150 nan 0.000 0.492 558 G N -0.284 108.603 108.800 0.145 0.000 2.352 558 G HA2 0.289 4.247 3.960 -0.003 0.000 0.283 558 G HA3 0.289 4.247 3.960 -0.003 0.000 0.283 558 G C -1.198 173.583 174.900 -0.198 0.000 1.308 558 G CA -0.352 44.691 45.100 -0.095 0.000 0.892 558 G HN 1.015 nan 8.290 nan 0.000 0.504 559 N N -0.515 117.978 118.700 -0.346 0.000 2.419 559 N HA 0.694 5.432 4.740 -0.003 0.000 0.277 559 N C -1.335 173.918 175.510 -0.430 0.000 1.006 559 N CA -0.360 52.562 53.050 -0.214 0.000 0.923 559 N CB 0.681 39.108 38.487 -0.101 0.000 1.140 559 N HN 0.462 nan 8.380 nan 0.000 0.488 560 Y N 1.113 121.530 120.300 0.195 0.000 2.536 560 Y HA 0.669 5.218 4.550 -0.003 0.000 0.347 560 Y C 0.046 176.036 175.900 0.150 0.000 1.000 560 Y CA -1.156 57.051 58.100 0.179 0.000 1.051 560 Y CB 1.978 40.583 38.460 0.242 0.000 1.259 560 Y HN 0.529 nan 8.280 nan 0.000 0.468 561 A N 1.607 124.586 122.820 0.265 0.000 2.312 561 A HA 0.748 5.066 4.320 -0.003 0.000 0.326 561 A C -1.267 176.345 177.584 0.047 0.000 1.172 561 A CA -0.667 51.457 52.037 0.146 0.000 0.821 561 A CB 0.727 19.780 19.000 0.087 0.000 1.166 561 A HN 0.522 nan 8.150 nan 0.000 0.493 562 V N 3.162 123.057 119.914 -0.033 0.000 2.370 562 V HA 0.353 4.471 4.120 -0.003 0.000 0.283 562 V C -0.008 176.033 176.094 -0.089 0.000 1.023 562 V CA -0.263 61.893 62.300 -0.240 0.000 0.857 562 V CB 1.167 32.721 31.823 -0.449 0.000 0.985 562 V HN 0.948 nan 8.190 nan 0.000 0.443 563 K N 3.411 123.787 120.400 -0.040 0.000 2.267 563 K HA 0.789 5.108 4.320 -0.003 0.000 0.246 563 K C -1.230 175.433 176.600 0.105 0.000 0.954 563 K CA -0.766 55.554 56.287 0.055 0.000 0.824 563 K CB 2.695 35.235 32.500 0.067 0.000 1.167 563 K HN 0.379 nan 8.250 nan 0.000 0.431 564 V N 1.193 121.181 119.914 0.123 0.000 2.630 564 V HA 0.661 4.780 4.120 -0.003 0.000 0.305 564 V C -0.759 175.491 176.094 0.259 0.000 1.046 564 V CA -0.741 61.639 62.300 0.133 0.000 0.934 564 V CB 1.627 33.483 31.823 0.056 0.000 1.003 564 V HN 0.902 nan 8.190 nan 0.000 0.451 565 A N 3.373 126.371 122.820 0.297 0.000 2.332 565 A HA 0.899 5.218 4.320 -0.003 0.000 0.300 565 A C -0.315 177.420 177.584 0.252 0.000 1.153 565 A CA -0.329 51.868 52.037 0.267 0.000 0.764 565 A CB 1.225 20.389 19.000 0.273 0.000 1.174 565 A HN 1.277 nan 8.150 nan 0.000 0.467 566 A N 1.661 124.627 122.820 0.243 0.000 2.343 566 A HA 0.700 5.018 4.320 -0.003 0.000 0.316 566 A C 0.675 178.326 177.584 0.112 0.000 1.104 566 A CA 0.061 52.225 52.037 0.213 0.000 0.768 566 A CB 0.273 19.479 19.000 0.343 0.000 1.213 566 A HN 1.982 nan 8.150 nan 0.000 0.456 567 S N 0.862 116.588 115.700 0.044 0.000 3.473 567 S HA -0.179 4.289 4.470 -0.003 0.000 0.339 567 S C 1.574 176.192 174.600 0.030 0.000 1.148 567 S CA 1.908 60.121 58.200 0.021 0.000 0.969 567 S CB -1.548 61.671 63.200 0.031 0.000 0.936 567 S HN 2.821 nan 8.310 nan 0.000 0.530 568 G N -1.197 107.628 108.800 0.041 0.000 2.420 568 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.221 568 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.221 568 G C 0.358 175.300 174.900 0.070 0.000 1.117 568 G CA 0.050 45.179 45.100 0.049 0.000 0.657 568 G HN 2.038 nan 8.290 nan 0.000 0.512 569 V N 0.146 120.101 119.914 0.068 0.000 2.715 569 V HA 0.594 4.712 4.120 -0.003 0.000 0.299 569 V C 0.186 176.340 176.094 0.101 0.000 1.054 569 V CA -0.265 62.076 62.300 0.069 0.000 1.077 569 V CB 1.034 32.889 31.823 0.053 0.000 0.972 569 V HN 0.448 nan 8.190 nan 0.000 0.484 570 N N 3.046 121.798 118.700 0.087 0.000 2.473 570 N HA 0.455 5.193 4.740 -0.003 0.000 0.291 570 N C 0.178 175.742 175.510 0.089 0.000 1.083 570 N CA -0.297 52.816 53.050 0.105 0.000 0.951 570 N CB 1.521 40.045 38.487 0.062 0.000 1.164 570 N HN 1.045 nan 8.380 nan 0.000 0.480 571 S N 1.345 117.117 115.700 0.120 0.000 2.640 571 S HA 0.105 4.574 4.470 -0.003 0.000 0.262 571 S C 0.359 174.998 174.600 0.064 0.000 1.232 571 S CA -0.894 57.366 58.200 0.099 0.000 0.988 571 S CB 0.341 63.642 63.200 0.168 0.000 1.034 571 S HN 0.690 nan 8.310 nan 0.000 0.569 572 N N 0.549 119.281 118.700 0.054 0.000 2.326 572 N HA 0.270 5.008 4.740 -0.003 0.000 0.239 572 N C -0.578 174.975 175.510 0.072 0.000 1.301 572 N CA -0.157 52.922 53.050 0.049 0.000 0.909 572 N CB -0.025 38.490 38.487 0.047 0.000 1.156 572 N HN 0.927 nan 8.380 nan 0.000 0.462 573 A N 0.177 123.032 122.820 0.057 0.000 2.260 573 A HA 0.356 4.674 4.320 -0.003 0.000 0.314 573 A C -1.322 176.318 177.584 0.093 0.000 1.257 573 A CA -0.678 51.396 52.037 0.062 0.000 0.871 573 A CB -0.034 18.982 19.000 0.028 0.000 1.166 573 A HN 0.680 nan 8.150 nan 0.000 0.522 574 Y N 2.976 123.278 120.300 0.004 0.000 2.320 574 Y HA 0.391 4.939 4.550 -0.003 0.000 0.334 574 Y C 0.389 176.308 175.900 0.031 0.000 1.055 574 Y CA 0.123 58.233 58.100 0.017 0.000 1.143 574 Y CB 0.982 39.439 38.460 -0.005 0.000 1.193 574 Y HN 0.869 nan 8.280 nan 0.000 0.477 575 N N 2.065 120.751 118.700 -0.023 0.000 2.491 575 N HA 0.248 4.986 4.740 -0.003 0.000 0.279 575 N C -1.073 174.527 175.510 0.150 0.000 1.236 575 N CA -0.517 52.569 53.050 0.061 0.000 0.982 575 N CB 0.472 38.941 38.487 -0.029 0.000 1.194 575 N HN 0.655 nan 8.380 nan 0.000 0.582 576 N N -0.544 118.233 118.700 0.128 0.000 2.686 576 N HA -0.240 4.498 4.740 -0.003 0.000 0.261 576 N C -1.540 174.053 175.510 0.139 0.000 1.001 576 N CA 0.450 53.567 53.050 0.111 0.000 0.764 576 N CB -1.277 37.238 38.487 0.046 0.000 0.898 576 N HN 0.329 nan 8.380 nan 0.000 0.544 577 F N 0.218 120.255 119.950 0.145 0.000 2.385 577 F HA 0.423 4.948 4.527 -0.002 0.000 0.336 577 F C 0.632 176.548 175.800 0.193 0.000 1.100 577 F CA -0.171 57.933 58.000 0.173 0.000 1.116 577 F CB 1.070 40.198 39.000 0.213 0.000 1.166 577 F HN -0.017 nan 8.300 nan 0.000 0.511 578 T N 7.142 121.596 114.554 -0.167 0.000 2.842 578 T HA 0.443 4.791 4.350 -0.003 0.000 0.308 578 T C -0.039 174.790 174.700 0.216 0.000 1.041 578 T CA -0.416 61.721 62.100 0.061 0.000 0.964 578 T CB 0.274 69.102 68.868 -0.066 0.000 0.972 578 T HN 0.317 nan 8.240 nan 0.000 0.460 579 I N 4.379 125.225 120.570 0.461 0.000 2.371 579 I HA 0.276 4.445 4.170 -0.003 0.000 0.290 579 I C 0.137 176.387 176.117 0.222 0.000 1.028 579 I CA -0.569 60.961 61.300 0.382 0.000 1.345 579 I CB 0.887 39.151 38.000 0.439 0.000 1.407 579 I HN 0.379 nan 8.210 nan 0.000 0.501 580 L N 5.954 127.262 121.223 0.142 0.000 2.357 580 L HA 0.230 4.568 4.340 -0.003 0.000 0.273 580 L C 1.618 178.539 176.870 0.085 0.000 1.080 580 L CA -0.287 54.609 54.840 0.093 0.000 0.803 580 L CB 1.385 43.485 42.059 0.068 0.000 1.174 580 L HN 0.642 nan 8.230 nan 0.000 0.443 581 T N 1.365 115.961 114.554 0.070 0.000 2.624 581 T HA -0.110 4.238 4.350 -0.003 0.000 0.268 581 T C 0.727 175.455 174.700 0.048 0.000 1.041 581 T CA 1.729 63.864 62.100 0.059 0.000 1.159 581 T CB -0.031 68.867 68.868 0.051 0.000 0.863 581 T HN 0.925 nan 8.240 nan 0.000 0.434 582 G N -0.192 108.635 108.800 0.045 0.000 2.635 582 G HA2 0.366 4.325 3.960 -0.003 0.000 0.194 582 G HA3 0.366 4.325 3.960 -0.003 0.000 0.194 582 G C -1.858 173.065 174.900 0.039 0.000 1.198 582 G CA -0.627 44.496 45.100 0.038 0.000 0.972 582 G HN 0.104 nan 8.290 nan 0.000 0.520 583 D N 1.164 121.585 120.400 0.034 0.000 2.423 583 D HA 0.346 4.985 4.640 -0.003 0.000 0.238 583 D C -0.097 176.226 176.300 0.039 0.000 1.142 583 D CA 0.582 54.602 54.000 0.034 0.000 0.884 583 D CB 1.028 41.846 40.800 0.031 0.000 1.199 583 D HN 0.142 nan 8.370 nan 0.000 0.438 584 Q N 0.264 120.087 119.800 0.037 0.000 2.351 584 Q HA 0.603 4.941 4.340 -0.003 0.000 0.273 584 Q C -0.441 175.593 176.000 0.058 0.000 1.077 584 Q CA -1.055 54.776 55.803 0.047 0.000 0.843 584 Q CB 2.355 31.113 28.738 0.032 0.000 1.367 584 Q HN 0.314 nan 8.270 nan 0.000 0.449 585 V N -2.162 117.801 119.914 0.082 0.000 2.760 585 V HA 0.623 4.742 4.120 -0.003 0.000 0.309 585 V C -0.291 175.886 176.094 0.138 0.000 1.077 585 V CA -0.853 61.512 62.300 0.109 0.000 0.910 585 V CB 1.787 33.673 31.823 0.105 0.000 1.008 585 V HN 0.671 nan 8.190 nan 0.000 0.424 586 T N 3.696 118.359 114.554 0.182 0.000 2.761 586 T HA 0.545 4.894 4.350 -0.003 0.000 0.296 586 T C -0.107 174.695 174.700 0.170 0.000 0.934 586 T CA -0.111 62.113 62.100 0.207 0.000 1.091 586 T CB 1.035 70.095 68.868 0.319 0.000 0.896 586 T HN 0.677 nan 8.240 nan 0.000 0.515 587 V N 4.574 124.572 119.914 0.139 0.000 2.417 587 V HA 0.425 4.543 4.120 -0.003 0.000 0.291 587 V C 0.424 176.497 176.094 -0.034 0.000 1.024 587 V CA -1.063 61.233 62.300 -0.008 0.000 0.861 587 V CB 1.553 33.291 31.823 -0.143 0.000 0.985 587 V HN 0.766 nan 8.190 nan 0.000 0.436 588 R N 4.454 124.921 120.500 -0.054 0.000 2.242 588 R HA 0.370 4.708 4.340 -0.003 0.000 0.334 588 R C -1.411 174.844 176.300 -0.074 0.000 1.071 588 R CA -0.190 55.959 56.100 0.081 0.000 0.922 588 R CB 0.205 30.585 30.300 0.133 0.000 1.023 588 R HN 0.460 nan 8.270 nan 0.000 0.458 589 F N 4.069 124.085 119.950 0.111 0.000 2.410 589 F HA 0.344 4.870 4.527 -0.003 0.000 0.349 589 F C -0.099 175.851 175.800 0.251 0.000 1.117 589 F CA -0.686 57.375 58.000 0.102 0.000 1.104 589 F CB 1.833 40.893 39.000 0.100 0.000 1.122 589 F HN 0.118 nan 8.300 nan 0.000 0.483 590 V N 4.737 124.819 119.914 0.280 0.000 2.444 590 V HA 0.494 4.612 4.120 -0.003 0.000 0.294 590 V C -0.891 175.221 176.094 0.030 0.000 1.022 590 V CA -0.842 61.526 62.300 0.113 0.000 0.850 590 V CB 1.939 33.692 31.823 -0.117 0.000 0.992 590 V HN 0.540 nan 8.190 nan 0.000 0.426 591 V N 5.990 125.846 119.914 -0.097 0.000 2.487 591 V HA 0.636 4.754 4.120 -0.003 0.000 0.298 591 V C -0.503 175.558 176.094 -0.055 0.000 1.028 591 V CA -0.425 61.732 62.300 -0.238 0.000 0.860 591 V CB 1.978 33.216 31.823 -0.976 0.000 0.991 591 V HN 0.911 nan 8.190 nan 0.000 0.427 592 N N 4.419 123.118 118.700 -0.002 0.000 2.489 592 N HA 0.491 5.230 4.740 -0.003 0.000 0.284 592 N C 0.097 175.658 175.510 0.084 0.000 1.158 592 N CA -0.301 52.764 53.050 0.026 0.000 0.965 592 N CB 0.741 39.237 38.487 0.014 0.000 1.195 592 N HN 0.743 nan 8.380 nan 0.000 0.506 593 N N -0.822 117.896 118.700 0.029 0.000 2.758 593 N HA -0.179 4.560 4.740 -0.003 0.000 0.248 593 N C -1.168 174.301 175.510 -0.068 0.000 1.076 593 N CA 0.643 53.699 53.050 0.010 0.000 0.696 593 N CB -1.033 37.510 38.487 0.093 0.000 0.979 593 N HN 0.627 nan 8.380 nan 0.000 0.550 594 A N 0.092 122.835 122.820 -0.128 0.000 3.056 594 A HA 0.485 4.804 4.320 -0.003 0.000 0.328 594 A C 0.449 177.900 177.584 -0.222 0.000 1.233 594 A CA -0.370 51.404 52.037 -0.439 0.000 0.965 594 A CB 0.345 19.084 19.000 -0.434 0.000 1.123 594 A HN 0.172 nan 8.150 nan 0.000 0.502 595 S N 1.244 116.797 115.700 -0.246 0.000 2.560 595 S HA 0.442 4.910 4.470 -0.003 0.000 0.284 595 S C 0.899 175.524 174.600 0.041 0.000 1.327 595 S CA 0.318 58.507 58.200 -0.019 0.000 1.055 595 S CB 0.624 63.820 63.200 -0.007 0.000 0.868 595 S HN 0.861 nan 8.310 nan 0.000 0.506 596 T N -0.011 114.726 114.554 0.305 0.000 2.633 596 T HA 0.686 5.035 4.350 -0.003 0.000 0.262 596 T C -0.047 174.721 174.700 0.114 0.000 0.920 596 T CA -0.797 61.375 62.100 0.121 0.000 1.062 596 T CB 0.966 69.931 68.868 0.162 0.000 1.390 596 T HN 0.457 nan 8.240 nan 0.000 0.549 597 T N 0.683 115.275 114.554 0.063 0.000 2.927 597 T HA 0.589 4.937 4.350 -0.003 0.000 0.286 597 T C -0.720 173.996 174.700 0.027 0.000 1.040 597 T CA -0.652 61.473 62.100 0.041 0.000 1.010 597 T CB 1.220 70.106 68.868 0.031 0.000 1.177 597 T HN 0.594 nan 8.240 nan 0.000 0.546 598 L N 2.328 123.559 121.223 0.013 0.000 2.534 598 L HA 0.408 4.747 4.340 -0.003 0.000 0.271 598 L C 1.275 178.157 176.870 0.021 0.000 1.178 598 L CA 1.468 56.312 54.840 0.005 0.000 0.907 598 L CB -0.642 41.418 42.059 0.003 0.000 1.164 598 L HN 0.961 nan 8.230 nan 0.000 0.482 599 G N 3.037 111.853 108.800 0.025 0.000 2.198 599 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.260 599 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.260 599 G C 0.222 175.154 174.900 0.054 0.000 1.025 599 G CA 0.511 45.635 45.100 0.041 0.000 0.769 599 G HN 0.766 nan 8.290 nan 0.000 0.507 600 Q N -0.430 119.405 119.800 0.057 0.000 2.293 600 Q HA 0.572 4.911 4.340 -0.003 0.000 0.261 600 Q C 0.153 176.179 176.000 0.043 0.000 0.960 600 Q CA -0.604 55.224 55.803 0.043 0.000 0.882 600 Q CB 0.710 29.460 28.738 0.020 0.000 1.275 600 Q HN 0.508 nan 8.270 nan 0.000 0.445 601 N N 1.785 120.499 118.700 0.025 0.000 2.531 601 N HA 0.588 5.326 4.740 -0.003 0.000 0.290 601 N C -1.814 173.530 175.510 -0.278 0.000 1.257 601 N CA -0.656 52.355 53.050 -0.065 0.000 0.863 601 N CB 1.143 39.648 38.487 0.031 0.000 1.320 601 N HN 0.297 nan 8.380 nan 0.000 0.538 602 L N 2.244 123.102 121.223 -0.609 0.000 2.372 602 L HA 0.480 4.819 4.340 -0.003 0.000 0.274 602 L C -1.669 174.738 176.870 -0.771 0.000 0.988 602 L CA -0.343 54.061 54.840 -0.726 0.000 0.833 602 L CB 0.426 41.737 42.059 -1.248 0.000 1.236 602 L HN 0.518 nan 8.230 nan 0.000 0.410 603 Y N 4.079 123.921 120.300 -0.764 0.000 2.567 603 Y HA 0.731 5.280 4.550 -0.002 0.000 0.333 603 Y C -0.056 175.501 175.900 -0.571 0.000 1.106 603 Y CA -0.943 56.720 58.100 -0.728 0.000 1.157 603 Y CB 1.684 39.576 38.460 -0.945 0.000 1.277 603 Y HN 0.517 nan 8.280 nan 0.000 0.490 604 L N -0.528 120.500 121.223 -0.325 0.000 2.341 604 L HA 1.001 5.340 4.340 -0.003 0.000 0.267 604 L C -0.629 176.153 176.870 -0.145 0.000 1.009 604 L CA -0.412 54.187 54.840 -0.403 0.000 0.819 604 L CB 2.481 43.988 42.059 -0.920 0.000 1.323 604 L HN 0.622 nan 8.230 nan 0.000 0.425 605 T N 0.707 115.250 114.554 -0.017 0.000 2.812 605 T HA 0.929 5.278 4.350 -0.003 0.000 0.294 605 T C -0.615 173.877 174.700 -0.346 0.000 1.159 605 T CA -0.044 62.034 62.100 -0.036 0.000 1.008 605 T CB 1.838 70.862 68.868 0.260 0.000 1.289 605 T HN 1.352 nan 8.240 nan 0.000 0.514 606 G N 1.034 109.354 108.800 -0.800 0.000 2.322 606 G HA2 0.255 4.214 3.960 -0.003 0.000 0.295 606 G HA3 0.255 4.214 3.960 -0.003 0.000 0.295 606 G C -0.009 174.056 174.900 -1.392 0.000 1.369 606 G CA 0.081 44.232 45.100 -1.581 0.000 0.821 606 G HN 0.781 nan 8.290 nan 0.000 0.536 607 N N -0.908 117.130 118.700 -1.103 0.000 2.651 607 N HA -0.066 4.672 4.740 -0.003 0.000 0.193 607 N C 0.713 176.117 175.510 -0.176 0.000 1.149 607 N CA 1.414 54.225 53.050 -0.397 0.000 0.933 607 N CB -0.471 38.050 38.487 0.056 0.000 0.974 607 N HN 1.113 nan 8.380 nan 0.000 0.448 608 V N -4.940 114.863 119.914 -0.186 0.000 2.960 608 V HA 0.792 4.910 4.120 -0.003 0.000 0.315 608 V C 1.336 177.390 176.094 -0.066 0.000 1.087 608 V CA -0.683 61.574 62.300 -0.072 0.000 0.982 608 V CB 1.020 32.832 31.823 -0.019 0.000 1.039 608 V HN -0.040 nan 8.190 nan 0.000 0.437 609 A N 0.136 122.947 122.820 -0.015 0.000 1.972 609 A HA -0.095 4.224 4.320 -0.003 0.000 0.219 609 A C 1.767 179.343 177.584 -0.012 0.000 1.169 609 A CA 1.955 53.987 52.037 -0.007 0.000 0.635 609 A CB -0.742 18.272 19.000 0.022 0.000 0.810 609 A HN 1.033 nan 8.150 nan 0.000 0.446 610 E N 0.092 120.290 120.200 -0.003 0.000 2.118 610 E HA -0.116 4.233 4.350 -0.003 0.000 0.195 610 E C 1.430 178.014 176.600 -0.026 0.000 0.992 610 E CA 0.967 57.367 56.400 0.001 0.000 0.804 610 E CB -0.276 29.437 29.700 0.023 0.000 0.741 610 E HN 0.615 nan 8.360 nan 0.000 0.458 611 L N -0.793 120.388 121.223 -0.071 0.000 2.645 611 L HA 0.177 4.516 4.340 -0.003 0.000 0.235 611 L C 1.253 178.056 176.870 -0.112 0.000 1.150 611 L CA 0.426 55.188 54.840 -0.131 0.000 0.911 611 L CB -0.344 41.581 42.059 -0.224 0.000 1.077 611 L HN 0.408 nan 8.230 nan 0.000 0.438 612 G N -0.203 108.560 108.800 -0.063 0.000 2.217 612 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.246 612 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.246 612 G C 0.447 175.329 174.900 -0.031 0.000 0.990 612 G CA 0.063 45.146 45.100 -0.028 0.000 0.627 612 G HN 0.426 nan 8.290 nan 0.000 0.522 613 N N -0.822 117.820 118.700 -0.097 0.000 2.608 613 N HA -0.168 4.571 4.740 -0.003 0.000 0.273 613 N C 0.530 176.070 175.510 0.050 0.000 1.133 613 N CA 1.460 54.461 53.050 -0.083 0.000 0.726 613 N CB -1.682 36.804 38.487 -0.001 0.000 0.890 613 N HN 1.073 nan 8.380 nan 0.000 0.548 614 W N -1.242 120.103 121.300 0.074 0.000 7.062 614 W HA -0.299 4.360 4.660 -0.003 0.000 0.409 614 W C 0.693 177.275 176.519 0.104 0.000 1.561 614 W CA 0.718 58.124 57.345 0.103 0.000 1.149 614 W CB -1.382 28.106 29.460 0.046 0.000 2.750 614 W HN 0.315 nan 8.180 nan 0.000 1.626 615 S N -0.386 115.457 115.700 0.237 0.000 2.617 615 S HA 0.549 5.017 4.470 -0.003 0.000 0.283 615 S C 1.030 175.681 174.600 0.084 0.000 1.189 615 S CA 0.045 58.326 58.200 0.135 0.000 1.036 615 S CB 1.200 64.447 63.200 0.078 0.000 1.014 615 S HN 0.226 nan 8.310 nan 0.000 0.522 616 T N 0.120 114.649 114.554 -0.041 0.000 3.145 616 T HA 0.395 4.743 4.350 -0.003 0.000 0.281 616 T C 0.812 175.455 174.700 -0.094 0.000 1.003 616 T CA -0.075 61.911 62.100 -0.190 0.000 0.901 616 T CB 0.138 68.647 68.868 -0.599 0.000 1.112 616 T HN 0.533 nan 8.240 nan 0.000 0.535 617 G N 1.567 110.343 108.800 -0.039 0.000 2.582 617 G HA2 0.380 4.338 3.960 -0.003 0.000 0.232 617 G HA3 0.380 4.338 3.960 -0.003 0.000 0.232 617 G C 0.908 175.794 174.900 -0.023 0.000 1.458 617 G CA -0.071 45.006 45.100 -0.038 0.000 1.062 617 G HN 0.301 nan 8.290 nan 0.000 0.566 618 S N -0.519 115.178 115.700 -0.006 0.000 2.603 618 S HA -0.042 4.426 4.470 -0.003 0.000 0.229 618 S C 1.922 176.539 174.600 0.028 0.000 0.972 618 S CA 1.279 59.488 58.200 0.015 0.000 0.935 618 S CB -0.154 63.053 63.200 0.013 0.000 0.769 618 S HN 0.697 nan 8.310 nan 0.000 0.536 619 T N -0.163 114.406 114.554 0.025 0.000 3.037 619 T HA 0.467 4.815 4.350 -0.003 0.000 0.251 619 T C 0.794 175.517 174.700 0.039 0.000 1.079 619 T CA 0.199 62.314 62.100 0.025 0.000 1.067 619 T CB -0.110 68.765 68.868 0.012 0.000 0.948 619 T HN 0.376 nan 8.240 nan 0.000 0.496 620 A N 1.633 124.496 122.820 0.072 0.000 2.477 620 A HA 0.559 4.877 4.320 -0.003 0.000 0.246 620 A C 0.113 177.766 177.584 0.115 0.000 1.078 620 A CA -0.468 51.643 52.037 0.124 0.000 0.770 620 A CB -0.398 18.765 19.000 0.271 0.000 1.011 620 A HN 0.524 nan 8.150 nan 0.000 0.494 621 I N 1.908 122.485 120.570 0.011 0.000 2.474 621 I HA 0.564 4.733 4.170 -0.003 0.000 0.287 621 I C 0.939 176.905 176.117 -0.252 0.000 1.048 621 I CA 1.089 62.331 61.300 -0.097 0.000 1.383 621 I CB 1.286 39.212 38.000 -0.124 0.000 1.412 621 I HN 0.931 nan 8.210 nan 0.000 0.531 622 G N 6.317 114.834 108.800 -0.472 0.000 2.350 622 G HA2 0.218 4.176 3.960 -0.003 0.000 0.304 622 G HA3 0.218 4.176 3.960 -0.003 0.000 0.304 622 G C -3.293 171.187 174.900 -0.700 0.000 1.421 622 G CA -0.929 43.608 45.100 -0.938 0.000 0.934 622 G HN 0.369 nan 8.290 nan 0.000 0.632 623 P HA 0.585 nan 4.420 nan 0.000 0.282 623 P C 0.232 177.064 177.300 -0.779 0.000 1.249 623 P CA 0.067 62.572 63.100 -0.992 0.000 0.806 623 P CB 1.543 32.883 31.700 -0.600 0.000 0.984 624 A N 2.541 125.012 122.820 -0.582 0.000 2.366 624 A HA 0.433 4.752 4.320 -0.003 0.000 0.249 624 A C 0.015 177.617 177.584 0.030 0.000 1.084 624 A CA -0.119 51.739 52.037 -0.299 0.000 0.794 624 A CB -0.429 18.612 19.000 0.069 0.000 1.034 624 A HN 0.374 nan 8.150 nan 0.000 0.491 625 F N 0.506 120.483 119.950 0.046 0.000 2.368 625 F HA 0.381 4.906 4.527 -0.003 0.000 0.308 625 F C 1.325 177.024 175.800 -0.168 0.000 1.198 625 F CA 0.178 58.045 58.000 -0.221 0.000 1.130 625 F CB 0.562 39.119 39.000 -0.738 0.000 1.300 625 F HN 0.693 nan 8.300 nan 0.000 0.537 626 N N -1.637 117.134 118.700 0.118 0.000 2.240 626 N HA -0.044 4.694 4.740 -0.003 0.000 0.219 626 N C -0.462 175.033 175.510 -0.024 0.000 1.407 626 N CA -0.022 53.004 53.050 -0.041 0.000 1.137 626 N CB -0.685 37.351 38.487 -0.753 0.000 1.202 626 N HN 0.680 nan 8.380 nan 0.000 0.581 627 Q N -0.402 119.439 119.800 0.069 0.000 2.580 627 Q HA 0.337 4.676 4.340 -0.003 0.000 0.239 627 Q C 1.083 177.086 176.000 0.006 0.000 0.873 627 Q CA 0.612 56.419 55.803 0.006 0.000 0.951 627 Q CB 0.966 29.687 28.738 -0.029 0.000 1.172 627 Q HN 0.093 nan 8.270 nan 0.000 0.616 628 V N 1.009 120.938 119.914 0.025 0.000 2.465 628 V HA -0.089 4.029 4.120 -0.003 0.000 0.230 628 V C 2.049 178.018 176.094 -0.208 0.000 1.084 628 V CA 0.735 62.993 62.300 -0.070 0.000 1.092 628 V CB -0.269 31.512 31.823 -0.069 0.000 0.730 628 V HN 0.236 nan 8.190 nan 0.000 0.491 629 I N -0.559 119.729 120.570 -0.469 0.000 2.202 629 I HA -0.060 4.108 4.170 -0.003 0.000 0.242 629 I C 1.066 176.617 176.117 -0.944 0.000 1.091 629 I CA 1.626 62.451 61.300 -0.792 0.000 1.368 629 I CB -1.053 36.230 38.000 -1.195 0.000 1.058 629 I HN 0.378 nan 8.210 nan 0.000 0.410 630 H N 1.428 120.113 119.070 -0.642 0.000 2.797 630 H HA 0.521 5.076 4.556 -0.003 0.000 0.372 630 H C -0.397 174.899 175.328 -0.053 0.000 1.168 630 H CA -0.637 55.247 56.048 -0.274 0.000 1.163 630 H CB 1.981 31.610 29.762 -0.221 0.000 1.778 630 H HN 0.087 nan 8.280 nan 0.000 0.551 631 Q N 1.176 121.019 119.800 0.072 0.000 2.423 631 Q HA 0.154 4.493 4.340 -0.003 0.000 0.278 631 Q C -0.807 175.160 176.000 -0.055 0.000 1.097 631 Q CA -1.210 54.596 55.803 0.006 0.000 0.809 631 Q CB 1.669 30.401 28.738 -0.009 0.000 1.391 631 Q HN 0.563 nan 8.270 nan 0.000 0.428 632 Y N 3.630 123.774 120.300 -0.259 0.000 2.996 632 Y HA -0.062 4.486 4.550 -0.003 0.000 0.347 632 Y C -1.387 174.434 175.900 -0.132 0.000 1.276 632 Y CA 0.071 57.986 58.100 -0.309 0.000 1.601 632 Y CB 0.497 38.776 38.460 -0.301 0.000 1.193 632 Y HN 0.476 nan 8.280 nan 0.000 0.582 633 P HA 0.169 nan 4.420 nan 0.000 0.257 633 P C -0.669 176.451 177.300 -0.301 0.000 1.737 633 P CA -0.147 62.368 63.100 -0.976 0.000 1.130 633 P CB 0.313 31.372 31.700 -1.067 0.000 1.572 634 T N 0.265 114.703 114.554 -0.194 0.000 2.913 634 T HA 0.410 4.759 4.350 -0.003 0.000 0.287 634 T C -0.879 173.837 174.700 0.026 0.000 1.008 634 T CA 0.282 62.374 62.100 -0.012 0.000 1.067 634 T CB 0.732 69.576 68.868 -0.040 0.000 0.996 634 T HN 0.040 nan 8.240 nan 0.000 0.513 635 W N 2.117 123.417 121.300 0.001 0.000 3.032 635 W HA 0.588 5.247 4.660 -0.002 0.000 0.335 635 W C -1.072 175.557 176.519 0.184 0.000 1.154 635 W CA -0.909 56.489 57.345 0.088 0.000 1.204 635 W CB 1.186 30.609 29.460 -0.062 0.000 1.416 635 W HN 0.723 nan 8.180 nan 0.000 0.521 636 Y N 0.036 120.548 120.300 0.353 0.000 2.625 636 Y HA 0.832 5.381 4.550 -0.002 0.000 0.338 636 Y C -2.002 174.161 175.900 0.438 0.000 1.123 636 Y CA -2.583 55.716 58.100 0.330 0.000 1.046 636 Y CB 1.601 40.245 38.460 0.306 0.000 1.299 636 Y HN 0.481 nan 8.280 nan 0.000 0.464 637 Y N 0.316 120.773 120.300 0.262 0.000 2.565 637 Y HA 0.384 4.932 4.550 -0.003 0.000 0.330 637 Y C -1.903 174.167 175.900 0.283 0.000 1.150 637 Y CA -1.303 56.847 58.100 0.083 0.000 1.055 637 Y CB 1.845 40.264 38.460 -0.070 0.000 1.337 637 Y HN 0.770 nan 8.280 nan 0.000 0.457 638 D N 3.499 123.869 120.400 -0.051 0.000 2.359 638 D HA 0.469 5.108 4.640 -0.003 0.000 0.230 638 D C -0.814 175.607 176.300 0.201 0.000 1.118 638 D CA 0.154 54.252 54.000 0.163 0.000 0.844 638 D CB 1.537 42.454 40.800 0.195 0.000 1.059 638 D HN 0.206 nan 8.370 nan 0.000 0.493 639 V N 1.155 121.266 119.914 0.327 0.000 2.769 639 V HA 0.315 4.433 4.120 -0.003 0.000 0.312 639 V C 0.556 176.781 176.094 0.218 0.000 1.058 639 V CA -0.896 61.573 62.300 0.282 0.000 0.952 639 V CB 2.114 34.118 31.823 0.301 0.000 1.019 639 V HN 0.458 nan 8.190 nan 0.000 0.445 640 S N 2.556 118.346 115.700 0.150 0.000 2.423 640 S HA 0.403 4.871 4.470 -0.003 0.000 0.302 640 S C -0.579 174.090 174.600 0.114 0.000 1.143 640 S CA -0.093 58.172 58.200 0.108 0.000 1.080 640 S CB 0.149 63.381 63.200 0.053 0.000 1.081 640 S HN 0.570 nan 8.310 nan 0.000 0.522 641 V N 7.423 127.420 119.914 0.138 0.000 2.864 641 V HA 0.688 4.807 4.120 -0.003 0.000 0.314 641 V C -2.302 173.853 176.094 0.103 0.000 1.073 641 V CA -2.370 60.010 62.300 0.133 0.000 0.956 641 V CB 2.433 34.386 31.823 0.218 0.000 1.023 641 V HN 0.671 nan 8.190 nan 0.000 0.435 642 P HA 0.143 nan 4.420 nan 0.000 0.267 642 P C -0.451 176.884 177.300 0.059 0.000 1.209 642 P CA 0.107 63.245 63.100 0.064 0.000 0.763 642 P CB 0.658 32.390 31.700 0.054 0.000 0.816 643 A N 3.910 126.760 122.820 0.051 0.000 2.591 643 A HA 0.285 4.604 4.320 -0.003 0.000 0.244 643 A C 1.521 179.118 177.584 0.022 0.000 1.031 643 A CA 0.766 52.827 52.037 0.039 0.000 0.767 643 A CB -1.431 17.591 19.000 0.037 0.000 0.942 643 A HN 0.905 nan 8.150 nan 0.000 0.514 644 G N 1.758 110.560 108.800 0.004 0.000 2.393 644 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.299 644 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.299 644 G C 0.074 174.963 174.900 -0.019 0.000 0.990 644 G CA 0.903 45.991 45.100 -0.020 0.000 1.118 644 G HN 0.909 nan 8.290 nan 0.000 0.513 645 K N -0.501 119.887 120.400 -0.021 0.000 2.435 645 K HA 0.458 4.777 4.320 -0.003 0.000 0.251 645 K C -0.147 176.443 176.600 -0.015 0.000 0.954 645 K CA -0.779 55.508 56.287 0.000 0.000 0.820 645 K CB 1.680 34.197 32.500 0.028 0.000 1.292 645 K HN 0.337 nan 8.250 nan 0.000 0.436 646 Q N 3.139 122.945 119.800 0.010 0.000 2.267 646 Q HA 0.393 4.731 4.340 -0.003 0.000 0.255 646 Q C -0.892 175.168 176.000 0.099 0.000 0.923 646 Q CA -0.399 55.419 55.803 0.025 0.000 0.925 646 Q CB 0.827 29.589 28.738 0.040 0.000 1.195 646 Q HN 0.453 nan 8.270 nan 0.000 0.417 647 L N 2.529 123.864 121.223 0.187 0.000 2.319 647 L HA 0.568 4.906 4.340 -0.003 0.000 0.267 647 L C -0.575 176.512 176.870 0.363 0.000 1.011 647 L CA -0.752 54.244 54.840 0.261 0.000 0.818 647 L CB 2.182 44.441 42.059 0.332 0.000 1.316 647 L HN 0.646 nan 8.230 nan 0.000 0.432 648 E N 1.731 122.116 120.200 0.308 0.000 2.216 648 E HA 0.503 4.851 4.350 -0.003 0.000 0.260 648 E C -1.749 175.016 176.600 0.275 0.000 0.880 648 E CA -0.494 56.103 56.400 0.328 0.000 0.765 648 E CB 1.701 31.603 29.700 0.337 0.000 1.174 648 E HN 0.365 nan 8.360 nan 0.000 0.417 649 F N 1.309 121.383 119.950 0.207 0.000 2.626 649 F HA 0.704 5.230 4.527 -0.003 0.000 0.311 649 F C -1.216 174.778 175.800 0.324 0.000 1.088 649 F CA -1.037 56.977 58.000 0.023 0.000 0.949 649 F CB 1.481 40.402 39.000 -0.132 0.000 1.322 649 F HN 0.068 nan 8.300 nan 0.000 0.461 650 K N 1.925 122.544 120.400 0.365 0.000 2.523 650 K HA 0.538 4.857 4.320 -0.003 0.000 0.257 650 K C -1.869 174.952 176.600 0.368 0.000 0.932 650 K CA -0.644 55.892 56.287 0.416 0.000 0.812 650 K CB 2.347 35.180 32.500 0.556 0.000 1.326 650 K HN 0.624 nan 8.250 nan 0.000 0.433 651 F N 2.642 122.807 119.950 0.358 0.000 2.370 651 F HA 0.538 5.063 4.527 -0.002 0.000 0.319 651 F C 0.154 176.159 175.800 0.342 0.000 1.129 651 F CA -0.051 58.112 58.000 0.273 0.000 1.109 651 F CB 0.767 39.938 39.000 0.285 0.000 1.262 651 F HN 0.406 nan 8.300 nan 0.000 0.534 652 F N -1.252 118.903 119.950 0.342 0.000 2.688 652 F HA 0.585 5.111 4.527 -0.002 0.000 0.308 652 F C -1.875 173.973 175.800 0.081 0.000 1.117 652 F CA -1.654 56.428 58.000 0.137 0.000 0.976 652 F CB 1.077 39.758 39.000 -0.531 0.000 1.291 652 F HN 0.241 nan 8.300 nan 0.000 0.439 653 K N 2.453 122.946 120.400 0.155 0.000 2.156 653 K HA 0.543 4.862 4.320 -0.003 0.000 0.271 653 K C -1.124 175.557 176.600 0.135 0.000 0.995 653 K CA -0.943 55.331 56.287 -0.021 0.000 0.890 653 K CB 2.004 34.459 32.500 -0.075 0.000 1.073 653 K HN 0.725 nan 8.250 nan 0.000 0.454 654 K N 2.420 122.882 120.400 0.104 0.000 2.482 654 K HA 0.172 4.490 4.320 -0.003 0.000 0.251 654 K C -0.815 175.834 176.600 0.082 0.000 0.936 654 K CA -0.374 55.986 56.287 0.122 0.000 0.791 654 K CB 1.427 33.977 32.500 0.083 0.000 1.213 654 K HN 0.752 nan 8.250 nan 0.000 0.428 655 N N 1.514 120.247 118.700 0.054 0.000 3.261 655 N HA 0.197 4.935 4.740 -0.003 0.000 0.217 655 N C 0.926 176.457 175.510 0.035 0.000 1.152 655 N CA 0.251 53.328 53.050 0.045 0.000 1.153 655 N CB 0.717 39.227 38.487 0.038 0.000 1.474 655 N HN 0.543 nan 8.380 nan 0.000 0.577 656 G N -0.261 108.553 108.800 0.024 0.000 2.571 656 G HA2 0.133 4.091 3.960 -0.003 0.000 0.225 656 G HA3 0.133 4.091 3.960 -0.003 0.000 0.225 656 G C 0.558 175.461 174.900 0.004 0.000 1.731 656 G CA 0.203 45.313 45.100 0.016 0.000 0.858 656 G HN 0.335 nan 8.290 nan 0.000 0.611 657 S N 0.704 116.406 115.700 0.004 0.000 2.578 657 S HA 0.216 4.684 4.470 -0.003 0.000 0.231 657 S C 0.078 174.678 174.600 -0.001 0.000 0.994 657 S CA -0.199 57.998 58.200 -0.005 0.000 0.956 657 S CB 0.688 63.887 63.200 -0.002 0.000 0.870 657 S HN 0.297 nan 8.310 nan 0.000 0.494 658 T N 3.749 118.310 114.554 0.012 0.000 3.005 658 T HA 0.348 4.697 4.350 -0.003 0.000 0.323 658 T C -0.014 174.700 174.700 0.023 0.000 1.131 658 T CA -0.323 61.792 62.100 0.024 0.000 0.977 658 T CB 0.038 68.927 68.868 0.034 0.000 1.055 658 T HN 0.068 nan 8.240 nan 0.000 0.562 659 I N 3.170 123.732 120.570 -0.014 0.000 2.474 659 I HA 0.374 4.543 4.170 -0.003 0.000 0.287 659 I C 0.830 176.927 176.117 -0.034 0.000 1.048 659 I CA -0.133 61.107 61.300 -0.099 0.000 1.383 659 I CB 0.938 38.762 38.000 -0.293 0.000 1.412 659 I HN 0.506 nan 8.210 nan 0.000 0.531 660 T N 5.935 120.485 114.554 -0.006 0.000 3.170 660 T HA 0.386 4.735 4.350 -0.003 0.000 0.315 660 T C -0.852 173.985 174.700 0.230 0.000 0.967 660 T CA -0.451 61.735 62.100 0.144 0.000 1.024 660 T CB 0.256 69.225 68.868 0.168 0.000 1.018 660 T HN 0.380 nan 8.240 nan 0.000 0.449 661 W N 2.305 123.754 121.300 0.248 0.000 2.030 661 W HA 0.452 5.111 4.660 -0.003 0.000 0.360 661 W C 1.009 177.570 176.519 0.071 0.000 1.370 661 W CA -0.617 56.855 57.345 0.212 0.000 1.433 661 W CB 0.374 29.861 29.460 0.044 0.000 1.204 661 W HN 0.543 nan 8.180 nan 0.000 0.649 662 E N 0.882 121.156 120.200 0.123 0.000 2.289 662 E HA 0.144 4.492 4.350 -0.003 0.000 0.278 662 E C -0.105 176.414 176.600 -0.136 0.000 1.032 662 E CA -0.267 55.893 56.400 -0.401 0.000 0.854 662 E CB 0.801 30.264 29.700 -0.395 0.000 1.046 662 E HN 0.284 nan 8.360 nan 0.000 0.409 663 S N 1.366 116.957 115.700 -0.181 0.000 2.641 663 S HA 0.601 5.070 4.470 -0.003 0.000 0.261 663 S C 0.701 175.198 174.600 -0.172 0.000 1.257 663 S CA -0.329 57.804 58.200 -0.113 0.000 0.983 663 S CB 0.978 64.141 63.200 -0.061 0.000 0.990 663 S HN 0.899 nan 8.310 nan 0.000 0.572 664 G N 0.457 109.172 108.800 -0.142 0.000 2.584 664 G HA2 -0.148 3.810 3.960 -0.003 0.000 0.229 664 G HA3 -0.148 3.810 3.960 -0.003 0.000 0.229 664 G C -0.297 174.489 174.900 -0.190 0.000 1.320 664 G CA -0.283 44.724 45.100 -0.156 0.000 0.891 664 G HN 0.958 nan 8.290 nan 0.000 0.573 665 S N 0.753 116.332 115.700 -0.202 0.000 2.646 665 S HA 0.541 5.010 4.470 -0.003 0.000 0.276 665 S C 0.539 174.973 174.600 -0.278 0.000 1.222 665 S CA -0.650 57.429 58.200 -0.202 0.000 1.014 665 S CB 0.964 64.078 63.200 -0.145 0.000 0.991 665 S HN 0.707 nan 8.310 nan 0.000 0.533 666 N N 2.509 121.083 118.700 -0.209 0.000 2.353 666 N HA -0.004 4.734 4.740 -0.003 0.000 0.248 666 N C -0.113 175.255 175.510 -0.236 0.000 1.240 666 N CA 0.569 53.519 53.050 -0.167 0.000 0.862 666 N CB 0.050 38.540 38.487 0.005 0.000 1.086 666 N HN 0.526 nan 8.380 nan 0.000 0.453 667 H N 0.322 119.220 119.070 -0.285 0.000 2.551 667 H HA 0.334 4.889 4.556 -0.003 0.000 0.358 667 H C 0.087 175.236 175.328 -0.299 0.000 1.151 667 H CA 0.232 56.036 56.048 -0.408 0.000 1.374 667 H CB 0.817 30.038 29.762 -0.900 0.000 1.473 667 H HN 0.425 nan 8.280 nan 0.000 0.574 668 T N 0.858 115.530 114.554 0.197 0.000 2.906 668 T HA 0.491 4.840 4.350 -0.003 0.000 0.295 668 T C -1.027 174.042 174.700 0.615 0.000 1.061 668 T CA -0.799 61.519 62.100 0.363 0.000 1.000 668 T CB 1.780 70.781 68.868 0.223 0.000 1.103 668 T HN 0.377 nan 8.240 nan 0.000 0.486 669 F N 1.210 121.395 119.950 0.391 0.000 2.623 669 F HA 0.491 5.017 4.527 -0.002 0.000 0.323 669 F C -1.015 174.889 175.800 0.174 0.000 1.158 669 F CA -0.576 57.597 58.000 0.287 0.000 1.030 669 F CB 1.752 40.928 39.000 0.294 0.000 1.280 669 F HN 0.625 nan 8.300 nan 0.000 0.474 670 T N 4.146 118.201 114.554 -0.832 0.000 2.767 670 T HA 0.481 4.829 4.350 -0.003 0.000 0.288 670 T C 0.109 174.205 174.700 -1.006 0.000 0.963 670 T CA -0.419 61.315 62.100 -0.610 0.000 1.019 670 T CB 0.929 69.620 68.868 -0.295 0.000 0.923 670 T HN 0.698 nan 8.240 nan 0.000 0.468 671 T N 2.252 116.502 114.554 -0.506 0.000 2.882 671 T HA 0.482 4.830 4.350 -0.003 0.000 0.287 671 T C -2.429 172.194 174.700 -0.129 0.000 1.014 671 T CA -1.801 60.144 62.100 -0.258 0.000 1.049 671 T CB 0.570 69.432 68.868 -0.010 0.000 1.001 671 T HN 0.276 nan 8.240 nan 0.000 0.525 672 P HA 0.266 nan 4.420 nan 0.000 0.274 672 P C 0.367 177.678 177.300 0.018 0.000 1.237 672 P CA -0.507 62.599 63.100 0.011 0.000 0.793 672 P CB 0.754 32.489 31.700 0.058 0.000 0.977 673 A N 1.709 124.540 122.820 0.017 0.000 2.119 673 A HA 0.109 4.428 4.320 -0.003 0.000 0.216 673 A C 1.017 178.623 177.584 0.037 0.000 1.152 673 A CA 1.128 53.178 52.037 0.022 0.000 0.708 673 A CB -0.590 18.420 19.000 0.017 0.000 0.805 673 A HN 0.742 nan 8.150 nan 0.000 0.460 674 S N -3.954 111.774 115.700 0.047 0.000 2.596 674 S HA 0.699 5.168 4.470 -0.003 0.000 0.270 674 S C 0.210 174.857 174.600 0.079 0.000 1.155 674 S CA 0.257 58.493 58.200 0.061 0.000 0.827 674 S CB 1.051 64.284 63.200 0.056 0.000 1.130 674 S HN 2.081 nan 8.310 nan 0.000 0.467 675 G N 0.841 109.702 108.800 0.101 0.000 2.481 675 G HA2 0.177 4.135 3.960 -0.003 0.000 0.230 675 G HA3 0.177 4.135 3.960 -0.003 0.000 0.230 675 G C -0.158 174.830 174.900 0.147 0.000 1.210 675 G CA 0.256 45.431 45.100 0.124 0.000 0.936 675 G HN 2.232 nan 8.290 nan 0.000 0.583 676 T N -1.791 112.845 114.554 0.137 0.000 2.916 676 T HA 1.018 5.367 4.350 -0.003 0.000 0.292 676 T C -0.081 174.683 174.700 0.106 0.000 1.055 676 T CA 0.580 62.763 62.100 0.139 0.000 1.009 676 T CB 1.855 70.816 68.868 0.154 0.000 1.118 676 T HN 2.517 nan 8.240 nan 0.000 0.497 677 A N 0.761 123.633 122.820 0.087 0.000 2.602 677 A HA 0.861 5.180 4.320 -0.003 0.000 0.290 677 A C -0.628 176.932 177.584 -0.041 0.000 1.114 677 A CA -0.932 51.144 52.037 0.064 0.000 0.683 677 A CB 1.562 20.661 19.000 0.165 0.000 1.281 677 A HN 0.881 nan 8.150 nan 0.000 0.416 678 T N 0.215 114.714 114.554 -0.093 0.000 2.876 678 T HA 0.655 5.004 4.350 -0.003 0.000 0.289 678 T C -1.344 173.151 174.700 -0.340 0.000 1.014 678 T CA -0.442 61.550 62.100 -0.179 0.000 0.986 678 T CB 1.543 70.374 68.868 -0.062 0.000 1.021 678 T HN 1.246 nan 8.240 nan 0.000 0.458 679 V N 2.372 122.003 119.914 -0.471 0.000 2.971 679 V HA 0.761 4.879 4.120 -0.003 0.000 0.309 679 V C -1.207 174.755 176.094 -0.220 0.000 1.130 679 V CA -0.397 61.603 62.300 -0.501 0.000 0.964 679 V CB 2.644 33.785 31.823 -1.135 0.000 1.029 679 V HN 1.019 nan 8.190 nan 0.000 0.427 680 T N 5.120 119.615 114.554 -0.098 0.000 2.840 680 T HA 0.638 4.987 4.350 -0.003 0.000 0.287 680 T C -0.650 174.069 174.700 0.032 0.000 0.991 680 T CA -0.427 61.659 62.100 -0.023 0.000 0.964 680 T CB 1.326 70.167 68.868 -0.045 0.000 0.954 680 T HN 0.966 nan 8.240 nan 0.000 0.438 681 V N 0.897 120.844 119.914 0.054 0.000 2.960 681 V HA 0.701 4.819 4.120 -0.003 0.000 0.315 681 V C -0.559 175.556 176.094 0.034 0.000 1.087 681 V CA -1.171 61.140 62.300 0.018 0.000 0.982 681 V CB 2.055 33.745 31.823 -0.221 0.000 1.039 681 V HN 0.713 nan 8.190 nan 0.000 0.437 682 N N 2.957 121.709 118.700 0.087 0.000 2.422 682 N HA 0.152 4.890 4.740 -0.003 0.000 0.266 682 N C -0.294 175.334 175.510 0.196 0.000 1.007 682 N CA -0.282 52.846 53.050 0.129 0.000 0.941 682 N CB 1.382 39.940 38.487 0.118 0.000 1.115 682 N HN 1.026 nan 8.380 nan 0.000 0.492 683 W N 4.823 126.151 121.300 0.047 0.000 2.476 683 W HA -0.093 4.565 4.660 -0.003 0.000 0.338 683 W C -0.198 176.396 176.519 0.124 0.000 1.328 683 W CA 0.389 57.787 57.345 0.088 0.000 1.300 683 W CB 0.335 29.794 29.460 -0.001 0.000 1.252 683 W HN 0.550 nan 8.180 nan 0.000 0.568 684 Q N 0.000 119.540 119.800 -0.434 0.000 2.315 684 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 684 Q CA 0.000 55.665 55.803 -0.230 0.000 1.022 684 Q CB 0.000 28.654 28.738 -0.141 0.000 1.108 684 Q HN 0.000 nan 8.270 nan 0.000 0.481