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 3hje_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLLSTYRLQ PMKFSEIRNR LDYFVELGVT HLYLSPVLKA RPGSTHGYDV DATA SEQUENCE VDYNTINDEL GGEEEYIRLI DEAKSKGLGI IQDIVPNHMA VHHTNWRLMD DATA SEQUENCE VLKKGRHSRY YNYFDFYEEE EKIRIPILGD RNFKITYVND EPYLDYYGNL DATA SEQUENCE FPINDEGRNY LNDIEKLLKV QYYELVDWRD YPSYRRFFAV NELIAVRQEL DATA SEQUENCE EWVFEDSHSK ILSFEVDGYR IDHIDGLFKP EEYLRRLKNK IGNKHIFVEK DATA SEQUENCE ILSIGEKLRW DFIDGTTGYD FLNYSNLLFT DNEDKMTEIY KNILDIDLDE DATA SEQUENCE LVKETKKKII DTLFKHDIER ISMMLGVNYE EIKEFLScLK VYRTYITEND DATA SEQUENCE FRDEEIIRNc SQKVYESMKK NVTAFMKLQQ YMPAVFAKAY EDTVLFIYNR DATA SEQUENCE LISLNEVGSD LHYYSIScDK FHEFNLKRVG TLSFNATSTH DTKFSEDVRM DATA SEQUENCE RISAISEIPD EWAKKVNEWH NILNPNIDKN DEYRLYQTIV GSFDGFNNEY DATA SEQUENCE KERLKAHMIK ALREAKVHTD WVNVNTEYEK KMTYLIDKMF NNEKFMESFL DATA SEQUENCE EFESKIDKMG KVKSLSLVAL KITSPGVADF YQGLENFRYL LTDPDNRRPV DATA SEQUENCE VFSELPKRYE EGLFNNGRIK AYVTKVLLNL RKSMKDFFIN SEYKPLKLQK DATA SEQUENCE GLcGFMRGDK VLVIVKTLNR DYDIEIDGEY TDVITDETVR GRVKVDKLPL DATA SEQUENCE ILVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.462 176.300 0.270 0.000 1.140 1 M CA 0.000 55.354 55.300 0.090 0.000 0.988 1 M CB 0.000 32.547 32.600 -0.088 0.000 1.302 2 K N 1.593 122.121 120.400 0.214 0.000 2.412 2 K HA 0.388 4.708 4.320 -0.001 0.000 0.281 2 K C -0.630 176.140 176.600 0.284 0.000 1.027 2 K CA -0.470 55.952 56.287 0.225 0.000 0.989 2 K CB 1.045 33.630 32.500 0.143 0.000 0.935 2 K HN 0.579 nan 8.250 nan 0.000 0.475 3 L N 5.270 126.587 121.223 0.157 0.000 2.278 3 L HA 0.163 4.503 4.340 -0.001 0.000 0.287 3 L C -0.007 176.842 176.870 -0.035 0.000 1.072 3 L CA 0.203 54.990 54.840 -0.088 0.000 0.819 3 L CB 0.362 42.157 42.059 -0.440 0.000 1.176 3 L HN 0.918 nan 8.230 nan 0.000 0.435 4 L N 3.085 124.313 121.223 0.008 0.000 2.806 4 L HA 0.361 4.700 4.340 -0.001 0.000 0.242 4 L C 0.056 176.898 176.870 -0.047 0.000 1.068 4 L CA 0.271 55.115 54.840 0.006 0.000 0.923 4 L CB 0.478 42.577 42.059 0.067 0.000 1.364 4 L HN 0.744 nan 8.230 nan 0.000 0.511 5 S N -0.601 115.077 115.700 -0.035 0.000 2.537 5 S HA 0.619 5.088 4.470 -0.001 0.000 0.271 5 S C -0.558 174.026 174.600 -0.027 0.000 1.148 5 S CA -0.584 57.595 58.200 -0.035 0.000 0.868 5 S CB 1.985 65.245 63.200 0.100 0.000 1.115 5 S HN 0.076 nan 8.310 nan 0.000 0.461 6 T N -0.489 114.014 114.554 -0.085 0.000 2.887 6 T HA 0.655 5.005 4.350 -0.001 0.000 0.288 6 T C -1.416 173.404 174.700 0.201 0.000 1.021 6 T CA -0.636 61.448 62.100 -0.027 0.000 1.000 6 T CB 1.419 70.083 68.868 -0.340 0.000 1.034 6 T HN 0.781 nan 8.240 nan 0.000 0.467 7 Y N 1.875 122.230 120.300 0.091 0.000 2.376 7 Y HA 0.562 5.112 4.550 -0.001 0.000 0.326 7 Y C 0.155 176.099 175.900 0.074 0.000 0.970 7 Y CA -1.216 56.945 58.100 0.101 0.000 1.248 7 Y CB 1.102 39.545 38.460 -0.029 0.000 1.117 7 Y HN 0.796 nan 8.280 nan 0.000 0.476 8 R N 5.520 126.068 120.500 0.081 0.000 2.370 8 R HA 0.371 4.710 4.340 -0.001 0.000 0.309 8 R C -1.910 174.365 176.300 -0.040 0.000 1.059 8 R CA 0.240 56.306 56.100 -0.057 0.000 0.981 8 R CB -0.044 30.199 30.300 -0.095 0.000 0.972 8 R HN 0.786 nan 8.270 nan 0.000 0.437 9 L N 4.695 125.910 121.223 -0.013 0.000 2.322 9 L HA 0.369 4.709 4.340 -0.001 0.000 0.281 9 L C 0.251 177.086 176.870 -0.059 0.000 1.014 9 L CA -1.090 53.766 54.840 0.028 0.000 0.815 9 L CB 1.800 43.929 42.059 0.116 0.000 1.247 9 L HN 0.564 nan 8.230 nan 0.000 0.421 10 Q N 2.638 122.404 119.800 -0.056 0.000 2.535 10 Q HA 0.223 4.562 4.340 -0.001 0.000 0.228 10 Q C -2.163 173.818 176.000 -0.031 0.000 1.062 10 Q CA -1.675 54.107 55.803 -0.036 0.000 0.967 10 Q CB -0.064 28.683 28.738 0.015 0.000 1.273 10 Q HN 0.293 nan 8.270 nan 0.000 0.554 11 P HA -0.003 nan 4.420 nan 0.000 0.262 11 P C -0.598 176.661 177.300 -0.068 0.000 1.182 11 P CA 0.813 63.863 63.100 -0.083 0.000 0.761 11 P CB 0.305 31.934 31.700 -0.117 0.000 0.795 12 M N 2.490 122.039 119.600 -0.086 0.000 2.371 12 M HA 0.272 4.752 4.480 -0.001 0.000 0.287 12 M C -0.892 175.304 176.300 -0.173 0.000 1.149 12 M CA -0.859 54.401 55.300 -0.066 0.000 0.929 12 M CB 1.942 34.566 32.600 0.039 0.000 1.683 12 M HN 0.071 nan 8.290 nan 0.000 0.470 13 K N 2.748 123.039 120.400 -0.182 0.000 2.530 13 K HA -0.000 4.320 4.320 -0.001 0.000 0.280 13 K C 0.124 176.640 176.600 -0.139 0.000 1.004 13 K CA 0.283 56.416 56.287 -0.257 0.000 1.071 13 K CB 0.400 32.818 32.500 -0.137 0.000 0.876 13 K HN 0.450 nan 8.250 nan 0.000 0.487 14 F N 1.018 120.976 119.950 0.013 0.000 2.161 14 F HA -0.264 4.263 4.527 -0.001 0.000 0.300 14 F C 2.650 178.457 175.800 0.011 0.000 1.089 14 F CA 1.602 59.619 58.000 0.029 0.000 1.282 14 F CB -1.083 37.950 39.000 0.055 0.000 1.010 14 F HN 0.629 nan 8.300 nan 0.000 0.485 15 S N -0.366 115.431 115.700 0.162 0.000 2.399 15 S HA -0.197 4.273 4.470 -0.001 0.000 0.231 15 S C 1.781 176.404 174.600 0.038 0.000 1.022 15 S CA 1.387 59.636 58.200 0.082 0.000 0.983 15 S CB -0.656 62.574 63.200 0.049 0.000 0.803 15 S HN 0.532 nan 8.310 nan 0.000 0.480 16 E N 1.097 121.312 120.200 0.025 0.000 2.107 16 E HA 0.052 4.401 4.350 -0.001 0.000 0.191 16 E C 2.028 178.626 176.600 -0.003 0.000 0.982 16 E CA 1.168 57.564 56.400 -0.006 0.000 0.809 16 E CB -0.325 29.371 29.700 -0.006 0.000 0.756 16 E HN 0.588 nan 8.360 nan 0.000 0.459 17 I N 0.873 121.484 120.570 0.067 0.000 2.163 17 I HA -0.310 3.860 4.170 -0.001 0.000 0.243 17 I C 2.711 178.879 176.117 0.086 0.000 1.085 17 I CA 1.196 62.566 61.300 0.117 0.000 1.347 17 I CB -0.334 37.766 38.000 0.166 0.000 1.044 17 I HN 0.033 nan 8.210 nan 0.000 0.408 18 R N 1.431 121.970 120.500 0.065 0.000 2.105 18 R HA -0.190 4.150 4.340 -0.001 0.000 0.239 18 R C 1.659 177.952 176.300 -0.011 0.000 1.135 18 R CA 2.109 58.227 56.100 0.030 0.000 0.967 18 R CB -0.259 30.059 30.300 0.030 0.000 0.861 18 R HN 0.409 nan 8.270 nan 0.000 0.442 19 N N -0.532 118.144 118.700 -0.040 0.000 2.461 19 N HA -0.050 4.689 4.740 -0.001 0.000 0.188 19 N C 1.011 176.422 175.510 -0.165 0.000 1.134 19 N CA 0.217 53.217 53.050 -0.084 0.000 0.878 19 N CB 0.300 38.742 38.487 -0.075 0.000 0.972 19 N HN -0.009 nan 8.380 nan 0.000 0.456 20 R N 0.260 120.636 120.500 -0.208 0.000 2.432 20 R HA 0.308 4.648 4.340 -0.001 0.000 0.260 20 R C 1.035 177.148 176.300 -0.311 0.000 0.935 20 R CA 0.016 55.852 56.100 -0.440 0.000 1.080 20 R CB -0.131 29.681 30.300 -0.812 0.000 1.155 20 R HN 0.167 nan 8.270 nan 0.000 0.531 21 L N -0.040 121.154 121.223 -0.049 0.000 2.042 21 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 21 L C 1.216 178.090 176.870 0.006 0.000 1.076 21 L CA 1.476 56.368 54.840 0.088 0.000 0.749 21 L CB -0.342 41.747 42.059 0.051 0.000 0.893 21 L HN 0.176 nan 8.230 nan 0.000 0.432 22 D N -0.797 119.565 120.400 -0.064 0.000 2.123 22 D HA -0.250 4.389 4.640 -0.001 0.000 0.196 22 D C 1.873 178.107 176.300 -0.110 0.000 0.992 22 D CA 1.310 55.267 54.000 -0.072 0.000 0.833 22 D CB -0.260 40.499 40.800 -0.069 0.000 0.954 22 D HN 0.339 nan 8.370 nan 0.000 0.455 23 Y N 0.670 120.767 120.300 -0.338 0.000 2.097 23 Y HA -0.299 4.251 4.550 -0.000 0.000 0.282 23 Y C 2.068 177.737 175.900 -0.385 0.000 1.152 23 Y CA 1.651 59.491 58.100 -0.433 0.000 1.136 23 Y CB -0.521 37.513 38.460 -0.710 0.000 0.975 23 Y HN -0.158 nan 8.280 nan 0.000 0.498 24 F N -0.763 119.128 119.950 -0.099 0.000 2.134 24 F HA -0.217 4.310 4.527 -0.001 0.000 0.299 24 F C 2.447 178.128 175.800 -0.197 0.000 1.097 24 F CA 1.395 59.279 58.000 -0.193 0.000 1.264 24 F CB -1.403 37.503 39.000 -0.157 0.000 1.001 24 F HN -0.087 nan 8.300 nan 0.000 0.479 25 V N 0.076 119.997 119.914 0.012 0.000 2.255 25 V HA -0.326 3.793 4.120 -0.001 0.000 0.247 25 V C 2.440 178.474 176.094 -0.099 0.000 1.051 25 V CA 2.298 64.575 62.300 -0.038 0.000 1.018 25 V CB -0.663 31.138 31.823 -0.036 0.000 0.641 25 V HN 0.365 nan 8.190 nan 0.000 0.445 26 E N -0.275 119.830 120.200 -0.157 0.000 2.085 26 E HA -0.284 4.065 4.350 -0.001 0.000 0.194 26 E C 2.176 178.636 176.600 -0.233 0.000 0.994 26 E CA 1.660 57.948 56.400 -0.186 0.000 0.801 26 E CB -0.167 29.406 29.700 -0.212 0.000 0.743 26 E HN 0.438 nan 8.360 nan 0.000 0.453 27 L N -0.335 120.682 121.223 -0.343 0.000 2.191 27 L HA -0.058 4.281 4.340 -0.001 0.000 0.212 27 L C 1.524 178.262 176.870 -0.219 0.000 1.103 27 L CA 2.231 56.871 54.840 -0.333 0.000 0.769 27 L CB -0.076 41.739 42.059 -0.406 0.000 0.908 27 L HN 0.395 nan 8.230 nan 0.000 0.438 28 G N -1.653 107.057 108.800 -0.149 0.000 2.179 28 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.220 28 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.220 28 G C 0.314 175.178 174.900 -0.061 0.000 0.990 28 G CA 0.140 45.179 45.100 -0.103 0.000 0.646 28 G HN 0.745 nan 8.290 nan 0.000 0.517 29 V N -0.203 119.688 119.914 -0.039 0.000 2.924 29 V HA 0.692 4.811 4.120 -0.001 0.000 0.305 29 V C 1.524 177.637 176.094 0.031 0.000 1.073 29 V CA 1.197 63.510 62.300 0.021 0.000 1.098 29 V CB 1.102 32.976 31.823 0.086 0.000 1.000 29 V HN 0.923 nan 8.190 nan 0.000 0.484 30 T N -0.224 114.376 114.554 0.077 0.000 3.040 30 T HA 0.228 4.577 4.350 -0.001 0.000 0.252 30 T C 0.464 175.143 174.700 -0.035 0.000 1.064 30 T CA 0.601 62.752 62.100 0.084 0.000 1.110 30 T CB -0.319 68.686 68.868 0.229 0.000 0.921 30 T HN 0.849 nan 8.240 nan 0.000 0.480 31 H N -0.299 118.758 119.070 -0.020 0.000 2.806 31 H HA 0.638 5.194 4.556 -0.001 0.000 0.367 31 H C -1.062 174.246 175.328 -0.033 0.000 1.136 31 H CA -0.895 55.139 56.048 -0.024 0.000 1.178 31 H CB 1.544 31.296 29.762 -0.017 0.000 1.718 31 H HN 0.103 nan 8.280 nan 0.000 0.540 32 L N 2.673 123.910 121.223 0.023 0.000 2.292 32 L HA 0.197 4.536 4.340 -0.001 0.000 0.284 32 L C -0.762 176.215 176.870 0.178 0.000 1.065 32 L CA -0.808 54.027 54.840 -0.009 0.000 0.806 32 L CB 0.567 42.526 42.059 -0.167 0.000 1.175 32 L HN 0.554 nan 8.230 nan 0.000 0.431 33 Y N 5.386 125.725 120.300 0.065 0.000 2.595 33 Y HA 0.468 5.018 4.550 -0.001 0.000 0.336 33 Y C -0.733 175.235 175.900 0.113 0.000 0.996 33 Y CA -1.382 56.786 58.100 0.113 0.000 1.260 33 Y CB 0.295 38.828 38.460 0.122 0.000 1.108 33 Y HN 0.374 nan 8.280 nan 0.000 0.509 34 L N 4.610 126.006 121.223 0.289 0.000 2.334 34 L HA 0.395 4.734 4.340 -0.001 0.000 0.277 34 L C 0.890 177.808 176.870 0.080 0.000 1.075 34 L CA -0.712 54.216 54.840 0.146 0.000 0.804 34 L CB 1.106 43.284 42.059 0.198 0.000 1.174 34 L HN 0.484 nan 8.230 nan 0.000 0.438 35 S N 2.315 117.995 115.700 -0.034 0.000 2.580 35 S HA 0.139 4.609 4.470 -0.001 0.000 0.266 35 S C -2.209 172.335 174.600 -0.095 0.000 1.354 35 S CA -0.768 57.357 58.200 -0.125 0.000 1.008 35 S CB 0.257 63.351 63.200 -0.177 0.000 0.898 35 S HN 0.418 nan 8.310 nan 0.000 0.555 36 P HA 0.021 nan 4.420 nan 0.000 0.265 36 P C 0.475 177.691 177.300 -0.140 0.000 1.187 36 P CA 0.023 63.022 63.100 -0.168 0.000 0.766 36 P CB 0.287 31.799 31.700 -0.312 0.000 0.820 37 V N 0.685 120.532 119.914 -0.112 0.000 3.477 37 V HA 0.242 4.362 4.120 -0.001 0.000 0.297 37 V C 0.475 176.479 176.094 -0.151 0.000 1.433 37 V CA 0.202 62.424 62.300 -0.130 0.000 1.052 37 V CB -0.784 30.870 31.823 -0.281 0.000 0.895 37 V HN 0.203 nan 8.190 nan 0.000 0.438 38 L N 1.622 122.771 121.223 -0.124 0.000 2.436 38 L HA 0.357 4.697 4.340 -0.001 0.000 0.265 38 L C 0.702 177.499 176.870 -0.122 0.000 1.168 38 L CA -0.315 54.467 54.840 -0.097 0.000 0.815 38 L CB 0.709 42.734 42.059 -0.056 0.000 1.109 38 L HN 0.151 nan 8.230 nan 0.000 0.462 39 K N 1.885 122.226 120.400 -0.099 0.000 2.491 39 K HA 0.207 4.527 4.320 -0.001 0.000 0.279 39 K C -0.383 176.122 176.600 -0.158 0.000 1.026 39 K CA -0.010 56.212 56.287 -0.109 0.000 1.070 39 K CB 0.446 32.909 32.500 -0.063 0.000 0.887 39 K HN 0.700 nan 8.250 nan 0.000 0.481 40 A N 4.767 127.480 122.820 -0.178 0.000 2.392 40 A HA 0.497 4.816 4.320 -0.001 0.000 0.283 40 A C -0.657 176.776 177.584 -0.252 0.000 1.197 40 A CA -0.829 51.082 52.037 -0.209 0.000 0.895 40 A CB 0.669 19.538 19.000 -0.217 0.000 1.400 40 A HN 0.837 nan 8.150 nan 0.000 0.461 41 R N 0.201 120.521 120.500 -0.300 0.000 2.698 41 R HA 0.197 4.537 4.340 -0.001 0.000 0.266 41 R C -2.346 173.732 176.300 -0.370 0.000 1.026 41 R CA -0.976 54.849 56.100 -0.458 0.000 1.102 41 R CB -0.334 29.705 30.300 -0.436 0.000 0.978 41 R HN 0.377 nan 8.270 nan 0.000 0.436 42 P HA -0.070 nan 4.420 nan 0.000 0.261 42 P C 0.356 177.544 177.300 -0.187 0.000 1.183 42 P CA 0.935 63.897 63.100 -0.230 0.000 0.761 42 P CB 0.427 32.025 31.700 -0.171 0.000 0.785 43 G N 2.242 110.948 108.800 -0.157 0.000 2.203 43 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.263 43 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.263 43 G C 0.484 175.282 174.900 -0.171 0.000 1.012 43 G CA 0.337 45.354 45.100 -0.138 0.000 0.749 43 G HN 0.766 nan 8.290 nan 0.000 0.512 44 S N -0.334 115.226 115.700 -0.234 0.000 2.552 44 S HA 0.378 4.847 4.470 -0.001 0.000 0.289 44 S C 1.860 176.274 174.600 -0.310 0.000 1.304 44 S CA 1.187 59.183 58.200 -0.340 0.000 1.063 44 S CB 0.594 63.539 63.200 -0.425 0.000 0.848 44 S HN 1.231 nan 8.310 nan 0.000 0.499 45 T N 1.299 115.662 114.554 -0.319 0.000 3.107 45 T HA 0.168 4.518 4.350 -0.001 0.000 0.249 45 T C 0.849 175.496 174.700 -0.088 0.000 1.096 45 T CA 0.849 62.861 62.100 -0.146 0.000 1.012 45 T CB -0.403 68.456 68.868 -0.015 0.000 0.977 45 T HN 0.959 nan 8.240 nan 0.000 0.527 46 H N -2.037 117.012 119.070 -0.035 0.000 3.583 46 H HA 0.525 5.081 4.556 -0.000 0.000 0.251 46 H C 1.710 176.891 175.328 -0.245 0.000 1.060 46 H CA -0.008 56.018 56.048 -0.037 0.000 1.159 46 H CB -0.180 29.684 29.762 0.171 0.000 1.496 46 H HN 0.277 nan 8.280 nan 0.000 0.540 47 G N 0.400 109.035 108.800 -0.275 0.000 2.162 47 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.260 47 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.260 47 G C 0.311 175.084 174.900 -0.212 0.000 0.976 47 G CA 0.658 45.596 45.100 -0.270 0.000 0.655 47 G HN 0.477 nan 8.290 nan 0.000 0.533 48 Y N 1.497 121.981 120.300 0.308 0.000 2.529 48 Y HA 0.227 4.777 4.550 -0.001 0.000 0.290 48 Y C 1.203 177.176 175.900 0.121 0.000 1.177 48 Y CA 0.537 58.733 58.100 0.159 0.000 1.305 48 Y CB 0.407 38.897 38.460 0.049 0.000 1.047 48 Y HN 0.440 nan 8.280 nan 0.000 0.522 49 D N -0.506 120.013 120.400 0.200 0.000 2.590 49 D HA 0.192 4.832 4.640 -0.001 0.000 0.280 49 D C -0.399 175.865 176.300 -0.060 0.000 1.197 49 D CA -0.226 53.829 54.000 0.092 0.000 0.967 49 D CB 0.014 40.869 40.800 0.091 0.000 0.987 49 D HN -0.157 nan 8.370 nan 0.000 0.508 50 V N 1.202 121.054 119.914 -0.102 0.000 2.637 50 V HA 0.057 4.177 4.120 -0.001 0.000 0.296 50 V C 1.723 177.656 176.094 -0.267 0.000 1.046 50 V CA -0.249 61.903 62.300 -0.247 0.000 1.066 50 V CB 1.386 32.950 31.823 -0.432 0.000 0.968 50 V HN 0.504 nan 8.190 nan 0.000 0.483 51 V N -0.443 119.315 119.914 -0.260 0.000 3.570 51 V HA 0.448 4.567 4.120 -0.001 0.000 0.257 51 V C 0.247 176.186 176.094 -0.259 0.000 1.272 51 V CA 0.532 62.698 62.300 -0.222 0.000 1.079 51 V CB 0.638 32.369 31.823 -0.152 0.000 0.829 51 V HN 0.795 nan 8.190 nan 0.000 0.454 52 D N -1.296 118.946 120.400 -0.262 0.000 2.613 52 D HA 0.314 4.954 4.640 -0.001 0.000 0.230 52 D C -0.202 176.020 176.300 -0.129 0.000 1.365 52 D CA -0.499 53.405 54.000 -0.160 0.000 0.976 52 D CB 1.206 42.058 40.800 0.087 0.000 1.415 52 D HN 0.042 nan 8.370 nan 0.000 0.589 53 Y N 1.730 122.009 120.300 -0.035 0.000 2.574 53 Y HA 0.011 4.561 4.550 -0.001 0.000 0.294 53 Y C 1.699 177.624 175.900 0.042 0.000 1.142 53 Y CA 0.635 58.722 58.100 -0.023 0.000 1.314 53 Y CB -0.021 38.409 38.460 -0.051 0.000 0.991 53 Y HN 0.366 nan 8.280 nan 0.000 0.555 54 N N -0.971 117.871 118.700 0.236 0.000 2.412 54 N HA 0.020 4.759 4.740 -0.001 0.000 0.184 54 N C -0.265 175.349 175.510 0.173 0.000 1.101 54 N CA 0.498 53.681 53.050 0.221 0.000 0.881 54 N CB 0.281 38.932 38.487 0.274 0.000 0.969 54 N HN 0.043 nan 8.380 nan 0.000 0.459 55 T N 1.291 115.928 114.554 0.138 0.000 2.881 55 T HA 0.369 4.719 4.350 -0.001 0.000 0.290 55 T C 0.011 174.745 174.700 0.057 0.000 1.000 55 T CA -0.622 61.541 62.100 0.104 0.000 0.978 55 T CB 1.990 70.909 68.868 0.085 0.000 0.997 55 T HN -0.170 nan 8.240 nan 0.000 0.443 56 I N 3.461 124.065 120.570 0.056 0.000 2.598 56 I HA 0.066 4.235 4.170 -0.001 0.000 0.284 56 I C 1.080 177.198 176.117 0.002 0.000 1.140 56 I CA -0.404 60.880 61.300 -0.028 0.000 1.420 56 I CB -0.074 37.876 38.000 -0.084 0.000 1.387 56 I HN 0.669 nan 8.210 nan 0.000 0.553 57 N N 5.921 124.601 118.700 -0.034 0.000 2.256 57 N HA -0.138 4.601 4.740 -0.001 0.000 0.277 57 N C 0.685 176.171 175.510 -0.040 0.000 1.362 57 N CA 0.450 53.464 53.050 -0.061 0.000 0.861 57 N CB 0.401 38.815 38.487 -0.122 0.000 1.136 57 N HN 0.358 nan 8.380 nan 0.000 0.492 58 D N 3.105 123.483 120.400 -0.038 0.000 2.224 58 D HA -0.096 4.543 4.640 -0.001 0.000 0.205 58 D C 1.054 177.312 176.300 -0.070 0.000 0.965 58 D CA 0.890 54.875 54.000 -0.025 0.000 0.852 58 D CB 0.238 41.030 40.800 -0.014 0.000 0.947 58 D HN 0.697 nan 8.370 nan 0.000 0.494 59 E N 0.021 120.156 120.200 -0.108 0.000 2.204 59 E HA -0.091 4.259 4.350 -0.001 0.000 0.195 59 E C 1.828 178.311 176.600 -0.196 0.000 0.990 59 E CA 0.459 56.779 56.400 -0.134 0.000 0.821 59 E CB 0.061 29.676 29.700 -0.141 0.000 0.750 59 E HN 0.324 nan 8.360 nan 0.000 0.477 60 L N -1.055 119.990 121.223 -0.297 0.000 2.558 60 L HA 0.144 4.483 4.340 -0.001 0.000 0.225 60 L C 1.549 178.097 176.870 -0.535 0.000 1.128 60 L CA 0.523 55.019 54.840 -0.574 0.000 0.868 60 L CB 0.359 41.808 42.059 -1.016 0.000 1.006 60 L HN 0.311 nan 8.230 nan 0.000 0.454 61 G N -1.181 107.511 108.800 -0.181 0.000 2.367 61 G HA2 0.014 3.974 3.960 -0.001 0.000 0.181 61 G HA3 0.014 3.974 3.960 -0.001 0.000 0.181 61 G C 0.618 175.618 174.900 0.166 0.000 1.000 61 G CA -0.316 44.804 45.100 0.032 0.000 0.693 61 G HN 0.694 nan 8.290 nan 0.000 0.480 62 G N -0.070 108.856 108.800 0.210 0.000 2.760 62 G HA2 0.044 4.003 3.960 -0.001 0.000 0.246 62 G HA3 0.044 4.003 3.960 -0.001 0.000 0.246 62 G C 0.452 175.494 174.900 0.237 0.000 1.359 62 G CA 0.822 46.039 45.100 0.195 0.000 0.861 62 G HN 1.206 nan 8.290 nan 0.000 0.541 63 E N -0.552 119.742 120.200 0.156 0.000 2.077 63 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 63 E C 2.136 178.830 176.600 0.155 0.000 0.989 63 E CA 1.772 58.266 56.400 0.157 0.000 0.800 63 E CB -0.098 29.739 29.700 0.228 0.000 0.746 63 E HN 0.476 nan 8.360 nan 0.000 0.452 64 E N 0.626 120.908 120.200 0.137 0.000 2.106 64 E HA -0.168 4.182 4.350 -0.001 0.000 0.192 64 E C 1.992 178.640 176.600 0.081 0.000 0.984 64 E CA 0.771 57.233 56.400 0.104 0.000 0.806 64 E CB -0.116 29.635 29.700 0.085 0.000 0.750 64 E HN 0.350 nan 8.360 nan 0.000 0.458 65 E N 0.024 120.300 120.200 0.127 0.000 2.106 65 E HA -0.161 4.189 4.350 -0.001 0.000 0.192 65 E C 1.977 178.591 176.600 0.023 0.000 0.984 65 E CA 0.513 57.006 56.400 0.154 0.000 0.806 65 E CB -0.360 29.520 29.700 0.300 0.000 0.750 65 E HN 0.321 nan 8.360 nan 0.000 0.458 66 Y N 1.399 121.477 120.300 -0.370 0.000 2.145 66 Y HA -0.169 4.380 4.550 -0.001 0.000 0.286 66 Y C 2.200 177.812 175.900 -0.479 0.000 1.145 66 Y CA 1.265 58.807 58.100 -0.930 0.000 1.148 66 Y CB -0.439 37.366 38.460 -1.091 0.000 0.981 66 Y HN -0.077 nan 8.280 nan 0.000 0.507 67 I N -0.190 120.227 120.570 -0.255 0.000 2.226 67 I HA -0.333 3.837 4.170 -0.001 0.000 0.245 67 I C 2.727 178.752 176.117 -0.153 0.000 1.100 67 I CA 1.648 62.849 61.300 -0.165 0.000 1.374 67 I CB -0.434 37.600 38.000 0.057 0.000 1.057 67 I HN 0.134 nan 8.210 nan 0.000 0.413 68 R N 0.814 121.256 120.500 -0.097 0.000 2.081 68 R HA -0.226 4.113 4.340 -0.001 0.000 0.235 68 R C 2.365 178.609 176.300 -0.094 0.000 1.131 68 R CA 1.621 57.684 56.100 -0.062 0.000 0.960 68 R CB -0.290 30.003 30.300 -0.012 0.000 0.856 68 R HN 0.234 nan 8.270 nan 0.000 0.436 69 L N 1.075 122.214 121.223 -0.139 0.000 1.994 69 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 69 L C 1.999 178.753 176.870 -0.193 0.000 1.071 69 L CA 1.729 56.485 54.840 -0.140 0.000 0.745 69 L CB -0.444 41.530 42.059 -0.142 0.000 0.892 69 L HN 0.242 nan 8.230 nan 0.000 0.431 70 I N -0.072 120.306 120.570 -0.320 0.000 2.151 70 I HA -0.339 3.831 4.170 -0.001 0.000 0.243 70 I C 2.118 178.140 176.117 -0.158 0.000 1.080 70 I CA 1.663 62.794 61.300 -0.282 0.000 1.339 70 I CB -0.617 37.159 38.000 -0.373 0.000 1.039 70 I HN 0.334 nan 8.210 nan 0.000 0.409 71 D N 0.262 120.587 120.400 -0.125 0.000 2.097 71 D HA -0.210 4.429 4.640 -0.001 0.000 0.197 71 D C 2.058 178.320 176.300 -0.064 0.000 0.984 71 D CA 1.260 55.214 54.000 -0.076 0.000 0.826 71 D CB -0.271 40.497 40.800 -0.054 0.000 0.973 71 D HN 0.300 nan 8.370 nan 0.000 0.460 72 E N 1.026 121.188 120.200 -0.062 0.000 2.077 72 E HA -0.093 4.257 4.350 -0.001 0.000 0.193 72 E C 1.868 178.438 176.600 -0.050 0.000 0.989 72 E CA 1.407 57.779 56.400 -0.046 0.000 0.800 72 E CB -0.319 29.360 29.700 -0.035 0.000 0.746 72 E HN 0.140 nan 8.360 nan 0.000 0.452 73 A N 1.319 124.099 122.820 -0.066 0.000 1.873 73 A HA -0.293 4.027 4.320 -0.001 0.000 0.218 73 A C 2.229 179.766 177.584 -0.077 0.000 1.193 73 A CA 2.192 54.186 52.037 -0.072 0.000 0.629 73 A CB -0.791 18.149 19.000 -0.100 0.000 0.826 73 A HN 0.321 nan 8.150 nan 0.000 0.447 74 K N 0.164 120.516 120.400 -0.081 0.000 2.044 74 K HA -0.205 4.115 4.320 -0.001 0.000 0.210 74 K C 2.306 178.875 176.600 -0.051 0.000 1.049 74 K CA 2.107 58.352 56.287 -0.069 0.000 0.927 74 K CB -0.270 32.194 32.500 -0.059 0.000 0.713 74 K HN 0.621 nan 8.250 nan 0.000 0.443 75 S N 0.317 115.991 115.700 -0.043 0.000 2.419 75 S HA -0.071 4.398 4.470 -0.001 0.000 0.233 75 S C 1.511 176.092 174.600 -0.031 0.000 1.016 75 S CA 0.846 59.027 58.200 -0.032 0.000 0.974 75 S CB -0.071 63.112 63.200 -0.028 0.000 0.786 75 S HN 0.228 nan 8.310 nan 0.000 0.492 76 K N 0.855 121.233 120.400 -0.036 0.000 2.444 76 K HA 0.222 4.542 4.320 -0.001 0.000 0.193 76 K C 1.254 177.833 176.600 -0.036 0.000 1.024 76 K CA 0.624 56.892 56.287 -0.031 0.000 1.077 76 K CB -0.216 32.269 32.500 -0.025 0.000 0.833 76 K HN 0.632 nan 8.250 nan 0.000 0.517 77 G N 1.687 110.459 108.800 -0.046 0.000 2.149 77 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.235 77 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.235 77 G C -0.218 174.630 174.900 -0.087 0.000 1.018 77 G CA -0.138 44.931 45.100 -0.052 0.000 0.728 77 G HN 0.192 nan 8.290 nan 0.000 0.508 78 L N -0.079 121.074 121.223 -0.117 0.000 2.346 78 L HA 0.811 5.151 4.340 -0.001 0.000 0.274 78 L C 0.970 177.670 176.870 -0.283 0.000 1.007 78 L CA -0.542 54.182 54.840 -0.194 0.000 0.818 78 L CB 2.038 44.020 42.059 -0.128 0.000 1.284 78 L HN 0.224 nan 8.230 nan 0.000 0.424 79 G N 2.238 110.695 108.800 -0.572 0.000 2.552 79 G HA2 0.713 4.672 3.960 -0.001 0.000 0.324 79 G HA3 0.713 4.672 3.960 -0.001 0.000 0.324 79 G C -0.897 173.868 174.900 -0.225 0.000 1.217 79 G CA -0.492 44.300 45.100 -0.513 0.000 0.989 79 G HN 0.265 nan 8.290 nan 0.000 0.490 80 I N 0.691 121.268 120.570 0.012 0.000 2.465 80 I HA 0.365 4.535 4.170 -0.001 0.000 0.291 80 I C -0.745 175.477 176.117 0.175 0.000 1.014 80 I CA -0.831 60.515 61.300 0.077 0.000 1.093 80 I CB 1.689 39.674 38.000 -0.026 0.000 1.267 80 I HN 0.146 nan 8.210 nan 0.000 0.431 81 I N 5.130 125.823 120.570 0.206 0.000 2.355 81 I HA 0.266 4.436 4.170 -0.001 0.000 0.288 81 I C 0.023 176.276 176.117 0.227 0.000 0.999 81 I CA -0.727 60.678 61.300 0.174 0.000 1.163 81 I CB 1.449 39.538 38.000 0.148 0.000 1.316 81 I HN 0.550 nan 8.210 nan 0.000 0.454 82 Q N 5.042 124.940 119.800 0.163 0.000 2.340 82 Q HA 0.215 4.555 4.340 -0.001 0.000 0.259 82 Q C -0.556 175.657 176.000 0.355 0.000 0.964 82 Q CA -0.274 55.687 55.803 0.263 0.000 0.900 82 Q CB 0.843 29.738 28.738 0.261 0.000 1.228 82 Q HN 0.429 nan 8.270 nan 0.000 0.449 83 D N 3.841 124.455 120.400 0.357 0.000 2.417 83 D HA 0.169 4.808 4.640 -0.001 0.000 0.250 83 D C -0.397 176.061 176.300 0.264 0.000 1.166 83 D CA 0.156 54.367 54.000 0.350 0.000 0.881 83 D CB 0.235 41.213 40.800 0.295 0.000 1.164 83 D HN 0.653 nan 8.370 nan 0.000 0.467 84 I N -0.229 120.510 120.570 0.282 0.000 2.892 84 I HA 0.545 4.715 4.170 -0.001 0.000 0.306 84 I C -0.976 175.248 176.117 0.178 0.000 1.078 84 I CA -1.058 60.367 61.300 0.208 0.000 1.032 84 I CB 2.369 40.499 38.000 0.217 0.000 1.229 84 I HN -0.017 nan 8.210 nan 0.000 0.435 85 V N 4.128 124.112 119.914 0.116 0.000 2.313 85 V HA 0.307 4.427 4.120 -0.001 0.000 0.262 85 V C -1.684 174.417 176.094 0.010 0.000 1.011 85 V CA -0.664 61.663 62.300 0.046 0.000 0.858 85 V CB 0.438 32.276 31.823 0.025 0.000 1.104 85 V HN 0.743 nan 8.190 nan 0.000 0.456 86 P HA -0.026 nan 4.420 nan 0.000 0.227 86 P C 1.180 178.407 177.300 -0.121 0.000 1.161 86 P CA 0.843 63.887 63.100 -0.093 0.000 0.788 86 P CB 0.564 32.190 31.700 -0.125 0.000 0.822 87 N N 0.319 118.917 118.700 -0.171 0.000 2.331 87 N HA -0.098 4.642 4.740 -0.001 0.000 0.180 87 N C 0.598 176.164 175.510 0.094 0.000 1.019 87 N CA 0.576 53.605 53.050 -0.035 0.000 0.881 87 N CB -0.046 38.548 38.487 0.178 0.000 0.972 87 N HN 0.303 nan 8.380 nan 0.000 0.435 88 H N -2.961 116.192 119.070 0.138 0.000 3.014 88 H HA 0.382 4.937 4.556 -0.001 0.000 0.337 88 H C -1.108 174.303 175.328 0.138 0.000 1.320 88 H CA -0.931 55.208 56.048 0.152 0.000 1.128 88 H CB 0.631 30.477 29.762 0.139 0.000 1.862 88 H HN -0.121 nan 8.280 nan 0.000 0.536 89 M N 0.729 120.496 119.600 0.278 0.000 2.755 89 M HA 0.639 5.118 4.480 -0.001 0.000 0.298 89 M C -0.216 176.135 176.300 0.085 0.000 1.251 89 M CA -1.076 54.292 55.300 0.113 0.000 0.817 89 M CB 2.605 35.274 32.600 0.114 0.000 1.760 89 M HN 0.750 nan 8.290 nan 0.000 0.473 90 A N 0.949 123.769 122.820 -0.000 0.000 2.327 90 A HA 0.567 4.887 4.320 -0.001 0.000 0.283 90 A C -0.400 177.158 177.584 -0.044 0.000 1.127 90 A CA -0.596 51.440 52.037 -0.002 0.000 0.810 90 A CB 0.306 19.291 19.000 -0.026 0.000 1.066 90 A HN 0.587 nan 8.150 nan 0.000 0.492 91 V N 5.403 125.302 119.914 -0.024 0.000 2.352 91 V HA 0.248 4.368 4.120 -0.001 0.000 0.253 91 V C 0.287 176.394 176.094 0.022 0.000 1.083 91 V CA 0.391 62.663 62.300 -0.046 0.000 0.993 91 V CB -1.096 30.725 31.823 -0.004 0.000 1.111 91 V HN 0.913 nan 8.190 nan 0.000 0.490 92 H N 3.144 122.125 119.070 -0.149 0.000 3.046 92 H HA 0.238 4.794 4.556 -0.001 0.000 0.361 92 H C 0.691 175.900 175.328 -0.199 0.000 1.235 92 H CA -0.388 55.550 56.048 -0.182 0.000 1.146 92 H CB 1.919 31.561 29.762 -0.199 0.000 1.859 92 H HN 0.818 nan 8.280 nan 0.000 0.548 93 H N 0.746 119.404 119.070 -0.686 0.000 2.521 93 H HA -0.068 4.488 4.556 -0.001 0.000 0.286 93 H C 1.316 176.553 175.328 -0.151 0.000 1.034 93 H CA 1.654 57.453 56.048 -0.414 0.000 1.278 93 H CB -0.047 29.351 29.762 -0.606 0.000 1.386 93 H HN 0.455 nan 8.280 nan 0.000 0.567 94 T N -2.792 111.573 114.554 -0.314 0.000 3.118 94 T HA -0.092 4.258 4.350 -0.001 0.000 0.260 94 T C 1.029 175.741 174.700 0.020 0.000 1.139 94 T CA 0.060 62.118 62.100 -0.071 0.000 1.085 94 T CB -0.391 68.442 68.868 -0.059 0.000 0.934 94 T HN 0.296 nan 8.240 nan 0.000 0.518 95 N N 2.094 120.778 118.700 -0.027 0.000 2.605 95 N HA 0.032 4.772 4.740 -0.001 0.000 0.258 95 N C 1.031 176.488 175.510 -0.088 0.000 1.156 95 N CA -0.819 52.161 53.050 -0.115 0.000 1.008 95 N CB -0.099 38.302 38.487 -0.143 0.000 1.354 95 N HN 0.657 nan 8.380 nan 0.000 0.509 96 W N 3.904 125.172 121.300 -0.052 0.000 2.402 96 W HA -0.092 4.568 4.660 -0.000 0.000 0.286 96 W C 0.980 177.441 176.519 -0.096 0.000 1.221 96 W CA -0.018 57.303 57.345 -0.039 0.000 1.257 96 W CB -0.492 28.946 29.460 -0.037 0.000 1.120 96 W HN 0.360 nan 8.180 nan 0.000 0.551 97 R N 0.791 120.732 120.500 -0.932 0.000 2.083 97 R HA -0.174 4.165 4.340 -0.001 0.000 0.237 97 R C 2.502 178.724 176.300 -0.131 0.000 1.137 97 R CA 2.086 57.615 56.100 -0.952 0.000 0.951 97 R CB -0.887 28.614 30.300 -1.332 0.000 0.851 97 R HN 0.144 nan 8.270 nan 0.000 0.434 98 L N 0.350 121.532 121.223 -0.068 0.000 2.093 98 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 98 L C 2.042 178.935 176.870 0.039 0.000 1.085 98 L CA 1.638 56.412 54.840 -0.110 0.000 0.755 98 L CB -0.191 41.620 42.059 -0.413 0.000 0.904 98 L HN 0.141 nan 8.230 nan 0.000 0.435 99 M N -0.956 118.687 119.600 0.072 0.000 2.159 99 M HA -0.217 4.263 4.480 -0.001 0.000 0.263 99 M C 2.010 178.436 176.300 0.209 0.000 1.063 99 M CA 1.635 57.032 55.300 0.161 0.000 1.110 99 M CB -1.440 31.299 32.600 0.232 0.000 1.374 99 M HN 0.339 nan 8.290 nan 0.000 0.411 100 D N 0.195 120.740 120.400 0.241 0.000 2.123 100 D HA -0.122 4.517 4.640 -0.001 0.000 0.196 100 D C 1.947 178.436 176.300 0.315 0.000 0.992 100 D CA 1.127 55.309 54.000 0.303 0.000 0.833 100 D CB 0.312 41.350 40.800 0.397 0.000 0.954 100 D HN 0.113 nan 8.370 nan 0.000 0.455 101 V N 0.456 120.573 119.914 0.338 0.000 2.307 101 V HA -0.201 3.919 4.120 -0.001 0.000 0.245 101 V C 2.551 178.803 176.094 0.263 0.000 1.045 101 V CA 1.182 63.685 62.300 0.339 0.000 1.024 101 V CB -0.538 31.551 31.823 0.444 0.000 0.651 101 V HN 0.332 nan 8.190 nan 0.000 0.449 102 L N -0.176 121.199 121.223 0.253 0.000 2.131 102 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 102 L C 2.546 179.677 176.870 0.435 0.000 1.092 102 L CA 1.726 56.756 54.840 0.317 0.000 0.759 102 L CB -0.572 41.593 42.059 0.178 0.000 0.903 102 L HN 0.343 nan 8.230 nan 0.000 0.435 103 K N 0.529 121.128 120.400 0.333 0.000 2.186 103 K HA -0.080 4.239 4.320 -0.001 0.000 0.202 103 K C 1.623 178.473 176.600 0.416 0.000 1.052 103 K CA 0.931 57.410 56.287 0.319 0.000 0.965 103 K CB 0.321 32.940 32.500 0.198 0.000 0.746 103 K HN 0.201 nan 8.250 nan 0.000 0.457 104 K N -0.770 119.807 120.400 0.295 0.000 2.402 104 K HA 0.170 4.489 4.320 -0.001 0.000 0.203 104 K C 0.649 177.012 176.600 -0.396 0.000 1.077 104 K CA 0.291 56.640 56.287 0.104 0.000 1.051 104 K CB 1.290 33.897 32.500 0.178 0.000 0.907 104 K HN 0.306 nan 8.250 nan 0.000 0.554 105 G N 2.321 110.950 108.800 -0.284 0.000 2.574 105 G HA2 -0.403 3.557 3.960 -0.001 0.000 0.286 105 G HA3 -0.403 3.557 3.960 -0.001 0.000 0.286 105 G C 0.506 175.261 174.900 -0.241 0.000 1.212 105 G CA 0.475 45.341 45.100 -0.390 0.000 0.979 105 G HN 0.296 nan 8.290 nan 0.000 0.557 106 R N -0.284 119.945 120.500 -0.451 0.000 2.241 106 R HA -0.055 4.285 4.340 -0.001 0.000 0.224 106 R C 2.180 178.369 176.300 -0.185 0.000 1.101 106 R CA 1.223 56.999 56.100 -0.540 0.000 0.995 106 R CB -0.321 29.611 30.300 -0.613 0.000 0.870 106 R HN 0.641 nan 8.270 nan 0.000 0.463 107 H N 0.096 119.035 119.070 -0.219 0.000 2.529 107 H HA 0.070 4.626 4.556 -0.001 0.000 0.277 107 H C 0.280 175.602 175.328 -0.008 0.000 0.999 107 H CA 0.350 56.333 56.048 -0.109 0.000 1.256 107 H CB 0.286 29.974 29.762 -0.123 0.000 1.402 107 H HN 0.021 nan 8.280 nan 0.000 0.566 108 S N 0.693 116.454 115.700 0.101 0.000 2.533 108 S HA -0.005 4.465 4.470 -0.001 0.000 0.282 108 S C 1.528 176.204 174.600 0.126 0.000 1.304 108 S CA -0.426 57.885 58.200 0.185 0.000 1.063 108 S CB 0.884 64.286 63.200 0.337 0.000 0.881 108 S HN 0.552 nan 8.310 nan 0.000 0.493 109 R N 3.260 123.761 120.500 0.001 0.000 2.154 109 R HA -0.174 4.166 4.340 -0.001 0.000 0.248 109 R C 0.594 176.847 176.300 -0.079 0.000 1.155 109 R CA 2.052 58.020 56.100 -0.219 0.000 0.979 109 R CB -0.332 29.676 30.300 -0.487 0.000 0.869 109 R HN 0.874 nan 8.270 nan 0.000 0.452 110 Y N -1.523 119.017 120.300 0.400 0.000 2.490 110 Y HA -0.029 4.521 4.550 -0.001 0.000 0.281 110 Y C 1.439 177.683 175.900 0.572 0.000 1.174 110 Y CA -0.035 58.363 58.100 0.496 0.000 1.295 110 Y CB -0.312 38.317 38.460 0.282 0.000 1.062 110 Y HN 0.143 nan 8.280 nan 0.000 0.522 111 Y N 1.618 122.217 120.300 0.497 0.000 2.165 111 Y HA -0.297 4.253 4.550 -0.001 0.000 0.286 111 Y C 1.683 177.931 175.900 0.581 0.000 1.155 111 Y CA 1.808 60.214 58.100 0.509 0.000 1.164 111 Y CB -0.254 38.359 38.460 0.255 0.000 0.978 111 Y HN 0.064 nan 8.280 nan 0.000 0.513 112 N N -1.038 117.970 118.700 0.512 0.000 2.512 112 N HA -0.167 4.573 4.740 -0.001 0.000 0.183 112 N C 1.386 177.028 175.510 0.220 0.000 1.073 112 N CA 0.848 54.122 53.050 0.372 0.000 0.911 112 N CB -0.681 38.074 38.487 0.446 0.000 0.964 112 N HN 0.519 nan 8.380 nan 0.000 0.447 113 Y N -0.131 120.219 120.300 0.082 0.000 2.274 113 Y HA -0.048 4.502 4.550 -0.000 0.000 0.290 113 Y C 0.010 175.532 175.900 -0.630 0.000 1.145 113 Y CA 1.068 58.934 58.100 -0.390 0.000 1.203 113 Y CB 0.107 38.293 38.460 -0.457 0.000 0.984 113 Y HN -0.174 nan 8.280 nan 0.000 0.533 114 F N -0.751 119.220 119.950 0.035 0.000 2.523 114 F HA 0.239 4.766 4.527 -0.001 0.000 0.329 114 F C 0.108 175.668 175.800 -0.400 0.000 1.061 114 F CA -1.409 56.419 58.000 -0.287 0.000 0.967 114 F CB 0.551 39.157 39.000 -0.655 0.000 1.218 114 F HN -0.358 nan 8.300 nan 0.000 0.480 115 D N 1.837 122.147 120.400 -0.150 0.000 2.619 115 D HA 0.175 4.815 4.640 -0.001 0.000 0.224 115 D C -0.745 175.527 176.300 -0.046 0.000 1.133 115 D CA -0.038 53.938 54.000 -0.040 0.000 1.017 115 D CB -0.661 40.180 40.800 0.069 0.000 1.077 115 D HN 0.092 nan 8.370 nan 0.000 0.503 116 F N 1.395 121.402 119.950 0.094 0.000 2.410 116 F HA 0.178 4.705 4.527 -0.001 0.000 0.334 116 F C 0.573 176.569 175.800 0.327 0.000 1.134 116 F CA -0.438 57.627 58.000 0.108 0.000 1.227 116 F CB 0.445 39.420 39.000 -0.042 0.000 1.194 116 F HN 0.124 nan 8.300 nan 0.000 0.571 117 Y N 1.929 122.514 120.300 0.475 0.000 2.585 117 Y HA 0.132 4.682 4.550 -0.000 0.000 0.354 117 Y C 1.364 177.473 175.900 0.349 0.000 1.024 117 Y CA -0.887 57.421 58.100 0.348 0.000 1.321 117 Y CB -0.313 38.344 38.460 0.328 0.000 1.151 117 Y HN 0.678 nan 8.280 nan 0.000 0.525 118 E N 1.728 122.207 120.200 0.465 0.000 2.268 118 E HA -0.161 4.189 4.350 -0.001 0.000 0.195 118 E C 1.696 178.464 176.600 0.280 0.000 0.995 118 E CA 0.823 57.462 56.400 0.398 0.000 0.836 118 E CB 0.308 30.220 29.700 0.353 0.000 0.763 118 E HN 0.680 nan 8.360 nan 0.000 0.491 119 E N 1.487 121.834 120.200 0.245 0.000 2.338 119 E HA -0.132 4.218 4.350 -0.001 0.000 0.197 119 E C 0.135 176.851 176.600 0.194 0.000 1.007 119 E CA 0.722 57.231 56.400 0.181 0.000 0.849 119 E CB -0.021 29.763 29.700 0.140 0.000 0.774 119 E HN 0.117 nan 8.360 nan 0.000 0.506 120 E N 1.640 121.995 120.200 0.259 0.000 2.316 120 E HA 0.001 4.351 4.350 -0.001 0.000 0.275 120 E C 0.736 177.444 176.600 0.179 0.000 1.029 120 E CA 0.025 56.569 56.400 0.240 0.000 0.871 120 E CB 1.473 31.361 29.700 0.314 0.000 1.022 120 E HN 0.396 nan 8.360 nan 0.000 0.418 121 E N 3.419 123.696 120.200 0.129 0.000 2.077 121 E HA -0.145 4.204 4.350 -0.001 0.000 0.193 121 E C -0.241 176.415 176.600 0.092 0.000 0.989 121 E CA 1.229 57.684 56.400 0.090 0.000 0.800 121 E CB 0.395 30.133 29.700 0.063 0.000 0.746 121 E HN 0.222 nan 8.360 nan 0.000 0.452 122 K N 0.249 120.709 120.400 0.101 0.000 2.375 122 K HA 0.393 4.713 4.320 -0.001 0.000 0.249 122 K C -0.882 175.804 176.600 0.142 0.000 0.942 122 K CA -0.811 55.537 56.287 0.102 0.000 0.806 122 K CB 2.028 34.555 32.500 0.045 0.000 1.227 122 K HN 0.011 nan 8.250 nan 0.000 0.430 123 I N 3.440 124.106 120.570 0.160 0.000 2.483 123 I HA 0.035 4.205 4.170 -0.001 0.000 0.291 123 I C 0.205 176.454 176.117 0.220 0.000 1.112 123 I CA 0.195 61.623 61.300 0.214 0.000 1.350 123 I CB 0.023 38.116 38.000 0.154 0.000 1.419 123 I HN 0.248 nan 8.210 nan 0.000 0.523 124 R N 7.469 128.084 120.500 0.191 0.000 2.267 124 R HA 0.524 4.864 4.340 -0.001 0.000 0.319 124 R C -0.688 175.683 176.300 0.118 0.000 1.067 124 R CA -0.287 55.857 56.100 0.072 0.000 0.936 124 R CB 0.792 31.044 30.300 -0.081 0.000 1.006 124 R HN 0.560 nan 8.270 nan 0.000 0.452 125 I N 5.257 125.874 120.570 0.078 0.000 2.420 125 I HA 0.259 4.429 4.170 -0.001 0.000 0.282 125 I C -2.222 173.916 176.117 0.034 0.000 1.019 125 I CA -2.636 58.738 61.300 0.123 0.000 1.130 125 I CB 1.994 40.024 38.000 0.051 0.000 1.262 125 I HN 0.270 nan 8.210 nan 0.000 0.454 126 P HA 0.268 nan 4.420 nan 0.000 0.280 126 P C 0.219 177.611 177.300 0.153 0.000 1.300 126 P CA 0.303 63.430 63.100 0.045 0.000 0.785 126 P CB 1.350 33.059 31.700 0.016 0.000 0.874 127 I N 2.043 122.701 120.570 0.147 0.000 5.242 127 I HA 0.126 4.296 4.170 -0.001 0.000 0.360 127 I C -0.361 175.881 176.117 0.208 0.000 1.201 127 I CA 0.041 61.472 61.300 0.219 0.000 1.527 127 I CB 0.527 38.658 38.000 0.218 0.000 1.769 127 I HN 0.059 nan 8.210 nan 0.000 0.603 128 L N 1.636 122.899 121.223 0.067 0.000 2.367 128 L HA 0.340 4.679 4.340 -0.001 0.000 0.275 128 L C 1.260 178.305 176.870 0.291 0.000 1.129 128 L CA 0.395 55.228 54.840 -0.011 0.000 0.839 128 L CB 0.986 42.984 42.059 -0.101 0.000 1.133 128 L HN 0.192 nan 8.230 nan 0.000 0.453 129 G N 1.267 110.251 108.800 0.306 0.000 2.944 129 G HA2 0.153 4.113 3.960 -0.001 0.000 0.220 129 G HA3 0.153 4.113 3.960 -0.001 0.000 0.220 129 G C -0.117 174.892 174.900 0.183 0.000 1.100 129 G CA 0.205 45.447 45.100 0.237 0.000 0.780 129 G HN 0.728 nan 8.290 nan 0.000 0.539 130 D N -1.650 118.884 120.400 0.224 0.000 3.103 130 D HA 0.279 4.919 4.640 -0.001 0.000 0.337 130 D C -0.181 176.147 176.300 0.047 0.000 1.356 130 D CA -0.805 53.276 54.000 0.136 0.000 0.951 130 D CB 0.360 41.236 40.800 0.127 0.000 1.438 130 D HN -0.100 nan 8.370 nan 0.000 0.562 131 R N -0.720 119.746 120.500 -0.055 0.000 2.816 131 R HA 0.313 4.653 4.340 -0.001 0.000 0.382 131 R C -0.295 175.680 176.300 -0.543 0.000 1.140 131 R CA -0.610 55.302 56.100 -0.314 0.000 1.050 131 R CB -0.195 30.139 30.300 0.055 0.000 1.396 131 R HN 0.234 nan 8.270 nan 0.000 0.583 132 N N 1.326 119.782 118.700 -0.407 0.000 2.555 132 N HA 0.110 4.849 4.740 -0.001 0.000 0.244 132 N C -1.257 173.993 175.510 -0.433 0.000 1.114 132 N CA 0.000 52.864 53.050 -0.311 0.000 0.963 132 N CB 0.125 38.513 38.487 -0.166 0.000 1.276 132 N HN -0.028 nan 8.380 nan 0.000 0.510 133 F N 1.954 121.957 119.950 0.090 0.000 2.507 133 F HA 0.535 5.062 4.527 -0.001 0.000 0.327 133 F C 0.841 176.652 175.800 0.019 0.000 1.068 133 F CA -0.793 57.265 58.000 0.095 0.000 0.965 133 F CB 1.512 40.588 39.000 0.126 0.000 1.192 133 F HN 0.274 nan 8.300 nan 0.000 0.476 134 K N 0.891 121.424 120.400 0.222 0.000 2.430 134 K HA 0.734 5.054 4.320 -0.001 0.000 0.268 134 K C -1.887 174.788 176.600 0.125 0.000 1.043 134 K CA -0.903 55.459 56.287 0.125 0.000 0.899 134 K CB 2.025 34.550 32.500 0.041 0.000 1.472 134 K HN 0.333 nan 8.250 nan 0.000 0.451 135 I N 1.496 122.123 120.570 0.096 0.000 2.404 135 I HA 0.369 4.539 4.170 -0.001 0.000 0.293 135 I C -0.697 175.471 176.117 0.086 0.000 0.992 135 I CA -0.382 60.957 61.300 0.066 0.000 1.149 135 I CB 1.310 39.341 38.000 0.053 0.000 1.315 135 I HN 0.703 nan 8.210 nan 0.000 0.446 136 T N 5.653 120.225 114.554 0.030 0.000 2.912 136 T HA 0.541 4.891 4.350 -0.001 0.000 0.299 136 T C -0.915 173.795 174.700 0.016 0.000 1.052 136 T CA -0.450 61.698 62.100 0.080 0.000 0.996 136 T CB 1.459 70.332 68.868 0.008 0.000 1.070 136 T HN 0.131 nan 8.240 nan 0.000 0.465 137 Y N 1.034 121.354 120.300 0.034 0.000 2.361 137 Y HA 0.605 5.155 4.550 0.000 0.000 0.332 137 Y C 0.037 175.936 175.900 -0.001 0.000 1.101 137 Y CA -0.849 57.296 58.100 0.074 0.000 1.137 137 Y CB 1.350 39.846 38.460 0.060 0.000 1.207 137 Y HN 0.276 nan 8.280 nan 0.000 0.463 138 V N 2.787 122.785 119.914 0.141 0.000 2.443 138 V HA 0.202 4.322 4.120 -0.001 0.000 0.293 138 V C -0.762 175.425 176.094 0.155 0.000 1.021 138 V CA -1.629 60.684 62.300 0.023 0.000 0.848 138 V CB 1.131 32.783 31.823 -0.284 0.000 0.998 138 V HN 0.956 nan 8.190 nan 0.000 0.424 139 N N 3.338 122.111 118.700 0.122 0.000 2.699 139 N HA -0.267 4.473 4.740 -0.001 0.000 0.256 139 N C 0.131 175.734 175.510 0.155 0.000 0.993 139 N CA 1.084 54.204 53.050 0.118 0.000 0.759 139 N CB -1.548 36.994 38.487 0.091 0.000 0.906 139 N HN 0.853 nan 8.380 nan 0.000 0.541 140 D N -3.501 117.020 120.400 0.200 0.000 2.946 140 D HA -0.169 4.471 4.640 -0.001 0.000 0.202 140 D C -0.908 175.606 176.300 0.357 0.000 1.068 140 D CA 1.514 55.655 54.000 0.236 0.000 1.011 140 D CB -0.746 40.128 40.800 0.123 0.000 1.105 140 D HN 0.791 nan 8.370 nan 0.000 0.425 141 E N 0.983 121.380 120.200 0.330 0.000 2.166 141 E HA 0.343 4.692 4.350 -0.001 0.000 0.275 141 E C -2.309 174.305 176.600 0.022 0.000 0.941 141 E CA -1.626 54.895 56.400 0.201 0.000 0.784 141 E CB 1.985 31.794 29.700 0.183 0.000 1.115 141 E HN 0.082 nan 8.360 nan 0.000 0.399 142 P HA 0.168 nan 4.420 nan 0.000 0.276 142 P C -1.096 175.970 177.300 -0.389 0.000 1.230 142 P CA -0.019 62.602 63.100 -0.797 0.000 0.776 142 P CB 0.389 31.715 31.700 -0.624 0.000 0.888 143 Y N 0.591 120.676 120.300 -0.358 0.000 2.499 143 Y HA 0.352 4.901 4.550 -0.001 0.000 0.347 143 Y C 0.579 176.432 175.900 -0.079 0.000 0.987 143 Y CA -1.120 56.885 58.100 -0.158 0.000 1.044 143 Y CB 1.959 40.312 38.460 -0.180 0.000 1.245 143 Y HN 0.229 nan 8.280 nan 0.000 0.461 144 L N 4.041 125.367 121.223 0.171 0.000 2.418 144 L HA 0.219 4.559 4.340 -0.001 0.000 0.274 144 L C -0.599 176.449 176.870 0.297 0.000 1.135 144 L CA 0.148 55.116 54.840 0.213 0.000 0.870 144 L CB 0.266 42.473 42.059 0.246 0.000 1.154 144 L HN 0.639 nan 8.230 nan 0.000 0.462 145 D N 4.941 125.496 120.400 0.259 0.000 2.414 145 D HA 0.102 4.741 4.640 -0.001 0.000 0.232 145 D C -1.473 175.032 176.300 0.342 0.000 1.070 145 D CA -0.188 53.942 54.000 0.218 0.000 0.839 145 D CB 0.839 41.689 40.800 0.082 0.000 1.079 145 D HN 0.455 nan 8.370 nan 0.000 0.521 146 Y N 4.998 125.479 120.300 0.301 0.000 2.593 146 Y HA 0.212 4.762 4.550 -0.001 0.000 0.331 146 Y C -0.466 175.608 175.900 0.291 0.000 0.986 146 Y CA -0.706 57.584 58.100 0.316 0.000 1.262 146 Y CB -0.341 38.414 38.460 0.492 0.000 1.098 146 Y HN 0.357 nan 8.280 nan 0.000 0.506 147 Y N 3.388 123.519 120.300 -0.282 0.000 3.108 147 Y HA -0.274 4.275 4.550 -0.000 0.000 0.208 147 Y C 1.533 177.382 175.900 -0.086 0.000 1.245 147 Y CA 1.242 59.195 58.100 -0.244 0.000 1.171 147 Y CB -1.266 36.953 38.460 -0.403 0.000 1.331 147 Y HN 0.930 nan 8.280 nan 0.000 0.534 148 G N -0.858 107.963 108.800 0.036 0.000 2.205 148 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.261 148 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.261 148 G C 0.082 174.989 174.900 0.012 0.000 0.980 148 G CA 0.031 45.143 45.100 0.020 0.000 0.632 148 G HN 0.496 nan 8.290 nan 0.000 0.533 149 N N 0.630 119.380 118.700 0.083 0.000 2.414 149 N HA 0.492 5.232 4.740 -0.001 0.000 0.256 149 N C -0.709 174.719 175.510 -0.137 0.000 1.029 149 N CA -0.030 53.023 53.050 0.007 0.000 0.948 149 N CB 1.533 40.170 38.487 0.251 0.000 1.102 149 N HN 0.096 nan 8.380 nan 0.000 0.496 150 L N 3.410 124.350 121.223 -0.473 0.000 2.307 150 L HA 0.568 4.908 4.340 -0.001 0.000 0.284 150 L C -0.601 175.912 176.870 -0.594 0.000 1.023 150 L CA -0.407 54.187 54.840 -0.411 0.000 0.810 150 L CB 0.565 42.230 42.059 -0.657 0.000 1.231 150 L HN 0.341 nan 8.230 nan 0.000 0.423 151 F N 3.758 123.809 119.950 0.168 0.000 2.565 151 F HA 0.646 5.172 4.527 -0.001 0.000 0.313 151 F C -2.087 173.750 175.800 0.062 0.000 1.091 151 F CA -1.912 56.105 58.000 0.028 0.000 0.915 151 F CB 1.847 40.665 39.000 -0.303 0.000 1.208 151 F HN 0.335 nan 8.300 nan 0.000 0.453 152 P HA 0.383 nan 4.420 nan 0.000 0.276 152 P C -0.802 176.497 177.300 -0.003 0.000 1.261 152 P CA -0.171 62.765 63.100 -0.273 0.000 0.800 152 P CB 1.535 33.152 31.700 -0.139 0.000 1.066 153 I N 0.999 121.483 120.570 -0.143 0.000 2.418 153 I HA 0.251 4.421 4.170 -0.001 0.000 0.287 153 I C 0.683 176.774 176.117 -0.044 0.000 1.008 153 I CA -0.939 60.329 61.300 -0.054 0.000 1.104 153 I CB 1.362 39.303 38.000 -0.098 0.000 1.264 153 I HN 0.331 nan 8.210 nan 0.000 0.438 154 N N 3.594 122.275 118.700 -0.032 0.000 2.317 154 N HA 0.046 4.786 4.740 -0.001 0.000 0.245 154 N C 0.243 175.737 175.510 -0.026 0.000 1.294 154 N CA -0.176 52.869 53.050 -0.009 0.000 0.924 154 N CB 0.457 38.904 38.487 -0.068 0.000 1.186 154 N HN 0.459 nan 8.380 nan 0.000 0.495 155 D N -0.690 119.712 120.400 0.003 0.000 2.123 155 D HA -0.191 4.449 4.640 -0.001 0.000 0.196 155 D C 1.362 177.645 176.300 -0.028 0.000 0.992 155 D CA 1.477 55.473 54.000 -0.008 0.000 0.833 155 D CB -0.070 40.735 40.800 0.009 0.000 0.954 155 D HN 0.813 nan 8.370 nan 0.000 0.455 156 E N -0.007 120.176 120.200 -0.029 0.000 2.110 156 E HA -0.121 4.228 4.350 -0.001 0.000 0.193 156 E C 2.201 178.835 176.600 0.057 0.000 0.988 156 E CA 1.121 57.519 56.400 -0.003 0.000 0.804 156 E CB -0.212 29.485 29.700 -0.004 0.000 0.745 156 E HN 0.326 nan 8.360 nan 0.000 0.458 157 G N 0.424 109.236 108.800 0.021 0.000 2.443 157 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.219 157 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.219 157 G C 1.498 176.431 174.900 0.056 0.000 1.131 157 G CA 0.176 45.324 45.100 0.080 0.000 0.775 157 G HN 0.152 nan 8.290 nan 0.000 0.547 158 R N 0.409 120.895 120.500 -0.025 0.000 2.280 158 R HA 0.027 4.366 4.340 -0.001 0.000 0.207 158 R C 1.397 177.637 176.300 -0.099 0.000 1.043 158 R CA 0.488 56.559 56.100 -0.047 0.000 1.006 158 R CB -0.003 30.272 30.300 -0.042 0.000 0.885 158 R HN 0.276 nan 8.270 nan 0.000 0.467 159 N N -0.144 118.421 118.700 -0.225 0.000 2.467 159 N HA -0.076 4.664 4.740 -0.001 0.000 0.184 159 N C -0.011 175.169 175.510 -0.550 0.000 1.106 159 N CA 0.892 53.681 53.050 -0.434 0.000 0.892 159 N CB 0.303 38.404 38.487 -0.643 0.000 0.969 159 N HN 0.301 nan 8.380 nan 0.000 0.454 160 Y N 0.032 120.310 120.300 -0.037 0.000 2.716 160 Y HA 0.368 4.917 4.550 -0.000 0.000 0.260 160 Y C 1.541 177.424 175.900 -0.029 0.000 1.141 160 Y CA -0.381 57.696 58.100 -0.037 0.000 1.168 160 Y CB -0.160 38.264 38.460 -0.060 0.000 1.189 160 Y HN -0.133 nan 8.280 nan 0.000 0.549 161 L N 0.074 121.341 121.223 0.073 0.000 2.187 161 L HA -0.235 4.105 4.340 -0.001 0.000 0.213 161 L C 1.047 177.962 176.870 0.075 0.000 1.100 161 L CA 1.254 56.132 54.840 0.063 0.000 0.765 161 L CB -0.124 41.970 42.059 0.058 0.000 0.904 161 L HN 0.398 nan 8.230 nan 0.000 0.437 162 N N -1.130 117.616 118.700 0.076 0.000 2.280 162 N HA -0.004 4.736 4.740 -0.001 0.000 0.192 162 N C -0.032 175.526 175.510 0.079 0.000 1.109 162 N CA 0.376 53.468 53.050 0.072 0.000 0.855 162 N CB 0.322 38.843 38.487 0.056 0.000 0.974 162 N HN 0.167 nan 8.380 nan 0.000 0.482 163 D N 0.535 120.995 120.400 0.100 0.000 2.405 163 D HA 0.282 4.921 4.640 -0.001 0.000 0.264 163 D C 0.955 177.279 176.300 0.040 0.000 1.240 163 D CA -0.354 53.693 54.000 0.079 0.000 0.893 163 D CB 0.284 41.148 40.800 0.106 0.000 1.198 163 D HN -0.092 nan 8.370 nan 0.000 0.514 164 I N 0.982 121.570 120.570 0.030 0.000 2.286 164 I HA -0.185 3.985 4.170 -0.001 0.000 0.248 164 I C 2.110 178.159 176.117 -0.113 0.000 1.115 164 I CA 0.687 61.974 61.300 -0.023 0.000 1.392 164 I CB 0.213 38.233 38.000 0.034 0.000 1.065 164 I HN 0.248 nan 8.210 nan 0.000 0.418 165 E N 0.872 121.032 120.200 -0.066 0.000 2.110 165 E HA -0.257 4.092 4.350 -0.001 0.000 0.193 165 E C 2.041 178.532 176.600 -0.181 0.000 0.988 165 E CA 1.164 57.502 56.400 -0.104 0.000 0.804 165 E CB -0.183 29.498 29.700 -0.032 0.000 0.745 165 E HN 0.246 nan 8.360 nan 0.000 0.458 166 K N 1.378 121.652 120.400 -0.210 0.000 2.103 166 K HA -0.035 4.285 4.320 -0.001 0.000 0.204 166 K C 2.162 178.476 176.600 -0.477 0.000 1.052 166 K CA 0.473 56.525 56.287 -0.392 0.000 0.945 166 K CB -0.568 31.622 32.500 -0.516 0.000 0.722 166 K HN 0.139 nan 8.250 nan 0.000 0.443 167 L N 0.137 121.193 121.223 -0.278 0.000 2.012 167 L HA -0.158 4.181 4.340 -0.001 0.000 0.210 167 L C 1.967 178.682 176.870 -0.259 0.000 1.073 167 L CA 1.462 56.204 54.840 -0.163 0.000 0.748 167 L CB -0.233 41.795 42.059 -0.052 0.000 0.891 167 L HN 0.197 nan 8.230 nan 0.000 0.431 168 L N -0.259 120.785 121.223 -0.299 0.000 2.083 168 L HA -0.230 4.110 4.340 -0.001 0.000 0.209 168 L C 2.686 179.344 176.870 -0.355 0.000 1.083 168 L CA 1.310 55.930 54.840 -0.368 0.000 0.752 168 L CB -0.507 41.317 42.059 -0.391 0.000 0.899 168 L HN 0.255 nan 8.230 nan 0.000 0.433 169 K N -0.196 120.024 120.400 -0.301 0.000 2.152 169 K HA -0.154 4.165 4.320 -0.001 0.000 0.206 169 K C 1.721 178.154 176.600 -0.278 0.000 1.048 169 K CA 1.716 57.845 56.287 -0.263 0.000 0.933 169 K CB -0.141 32.212 32.500 -0.244 0.000 0.721 169 K HN 0.372 nan 8.250 nan 0.000 0.447 170 V N -1.229 118.496 119.914 -0.314 0.000 3.647 170 V HA 0.070 4.190 4.120 -0.001 0.000 0.279 170 V C 0.399 176.214 176.094 -0.464 0.000 1.314 170 V CA -0.184 61.927 62.300 -0.314 0.000 1.125 170 V CB -0.064 31.622 31.823 -0.229 0.000 0.907 170 V HN 0.029 nan 8.190 nan 0.000 0.434 171 Q N -0.083 119.404 119.800 -0.522 0.000 2.368 171 Q HA 0.304 4.644 4.340 -0.001 0.000 0.237 171 Q C 0.418 176.051 176.000 -0.612 0.000 0.987 171 Q CA -0.049 55.327 55.803 -0.712 0.000 0.896 171 Q CB 0.591 28.684 28.738 -1.075 0.000 1.241 171 Q HN 0.586 nan 8.270 nan 0.000 0.485 172 Y N -0.267 119.877 120.300 -0.261 0.000 2.511 172 Y HA -0.017 4.533 4.550 -0.001 0.000 0.279 172 Y C 0.366 176.250 175.900 -0.026 0.000 1.157 172 Y CA -0.174 57.870 58.100 -0.093 0.000 1.300 172 Y CB -0.173 38.293 38.460 0.010 0.000 1.052 172 Y HN 0.472 nan 8.280 nan 0.000 0.529 173 Y N -1.461 118.875 120.300 0.060 0.000 2.587 173 Y HA 0.702 5.251 4.550 -0.001 0.000 0.337 173 Y C -0.450 175.408 175.900 -0.071 0.000 1.065 173 Y CA -2.312 55.790 58.100 0.004 0.000 1.126 173 Y CB 1.030 39.483 38.460 -0.011 0.000 1.279 173 Y HN -0.120 nan 8.280 nan 0.000 0.489 174 E N 2.433 122.690 120.200 0.096 0.000 2.218 174 E HA 0.396 4.745 4.350 -0.001 0.000 0.263 174 E C -1.755 174.850 176.600 0.009 0.000 0.879 174 E CA -0.721 55.668 56.400 -0.019 0.000 0.762 174 E CB 1.213 30.882 29.700 -0.051 0.000 1.166 174 E HN 0.839 nan 8.360 nan 0.000 0.415 175 L N 5.018 126.220 121.223 -0.036 0.000 2.360 175 L HA 0.344 4.683 4.340 -0.001 0.000 0.276 175 L C 0.300 177.123 176.870 -0.078 0.000 1.121 175 L CA -0.521 54.257 54.840 -0.102 0.000 0.845 175 L CB 0.567 42.533 42.059 -0.155 0.000 1.143 175 L HN 0.383 nan 8.230 nan 0.000 0.452 176 V N -0.621 119.244 119.914 -0.081 0.000 3.155 176 V HA 0.482 4.602 4.120 -0.001 0.000 0.313 176 V C -0.365 175.700 176.094 -0.049 0.000 1.162 176 V CA -1.139 61.110 62.300 -0.084 0.000 1.048 176 V CB 1.876 33.607 31.823 -0.153 0.000 1.092 176 V HN 0.692 nan 8.190 nan 0.000 0.447 177 D N 1.872 122.241 120.400 -0.052 0.000 2.571 177 D HA -0.069 4.571 4.640 -0.001 0.000 0.231 177 D C 1.183 177.478 176.300 -0.008 0.000 1.133 177 D CA 0.794 54.785 54.000 -0.014 0.000 0.862 177 D CB 0.461 41.205 40.800 -0.093 0.000 1.179 177 D HN 0.788 nan 8.370 nan 0.000 0.474 178 W N 4.090 125.381 121.300 -0.016 0.000 2.468 178 W HA -0.102 4.557 4.660 -0.000 0.000 0.262 178 W C 0.693 177.213 176.519 0.002 0.000 1.241 178 W CA 0.165 57.516 57.345 0.010 0.000 1.232 178 W CB -0.560 28.925 29.460 0.042 0.000 1.124 178 W HN 0.419 nan 8.180 nan 0.000 0.597 179 R N 0.416 120.482 120.500 -0.723 0.000 2.300 179 R HA 0.058 4.398 4.340 -0.001 0.000 0.199 179 R C 0.009 176.116 176.300 -0.321 0.000 0.920 179 R CA 0.041 55.729 56.100 -0.688 0.000 1.046 179 R CB -0.146 29.621 30.300 -0.887 0.000 0.984 179 R HN -0.077 nan 8.270 nan 0.000 0.493 180 D N 0.311 120.562 120.400 -0.249 0.000 2.371 180 D HA 0.000 4.640 4.640 -0.001 0.000 0.242 180 D C -0.448 175.758 176.300 -0.158 0.000 1.218 180 D CA -0.094 53.777 54.000 -0.216 0.000 0.945 180 D CB 0.396 41.014 40.800 -0.302 0.000 1.137 180 D HN -0.001 nan 8.370 nan 0.000 0.464 181 Y N -0.893 119.329 120.300 -0.130 0.000 2.359 181 Y HA 0.467 5.017 4.550 -0.000 0.000 0.330 181 Y C -2.457 173.361 175.900 -0.136 0.000 1.143 181 Y CA -2.433 55.600 58.100 -0.112 0.000 1.318 181 Y CB -0.256 38.116 38.460 -0.146 0.000 1.234 181 Y HN 0.126 nan 8.280 nan 0.000 0.522 182 P HA 0.101 nan 4.420 nan 0.000 0.279 182 P C -0.288 176.970 177.300 -0.070 0.000 1.252 182 P CA -0.596 62.331 63.100 -0.289 0.000 0.811 182 P CB 1.554 32.715 31.700 -0.898 0.000 1.035 183 S N 0.679 116.351 115.700 -0.045 0.000 2.582 183 S HA 0.288 4.757 4.470 -0.001 0.000 0.249 183 S C -0.271 174.238 174.600 -0.152 0.000 1.072 183 S CA -0.504 57.804 58.200 0.180 0.000 1.115 183 S CB -1.450 61.970 63.200 0.366 0.000 0.790 183 S HN 0.475 nan 8.310 nan 0.000 0.459 184 Y N -2.076 117.883 120.300 -0.569 0.000 2.609 184 Y HA 0.608 5.157 4.550 -0.001 0.000 0.336 184 Y C -0.512 175.032 175.900 -0.593 0.000 1.129 184 Y CA -1.760 55.911 58.100 -0.715 0.000 1.040 184 Y CB 0.662 38.954 38.460 -0.281 0.000 1.310 184 Y HN 0.092 nan 8.280 nan 0.000 0.460 185 R N 2.810 123.260 120.500 -0.084 0.000 2.449 185 R HA 0.380 4.720 4.340 -0.001 0.000 0.296 185 R C -0.647 175.839 176.300 0.310 0.000 1.047 185 R CA -0.163 56.108 56.100 0.284 0.000 1.018 185 R CB 0.516 31.011 30.300 0.325 0.000 0.962 185 R HN 0.938 nan 8.270 nan 0.000 0.428 186 R N 2.722 123.409 120.500 0.311 0.000 2.608 186 R HA 0.212 4.552 4.340 -0.001 0.000 0.255 186 R C -0.600 175.836 176.300 0.227 0.000 1.086 186 R CA -0.811 55.473 56.100 0.307 0.000 1.125 186 R CB 0.600 31.073 30.300 0.288 0.000 1.193 186 R HN 0.477 nan 8.270 nan 0.000 0.553 187 F N 3.009 122.949 119.950 -0.017 0.000 2.471 187 F HA 0.095 4.621 4.527 -0.001 0.000 0.365 187 F C 0.098 175.922 175.800 0.041 0.000 1.095 187 F CA -0.135 57.727 58.000 -0.229 0.000 1.174 187 F CB -0.236 38.264 39.000 -0.834 0.000 1.105 187 F HN 0.445 nan 8.300 nan 0.000 0.535 188 F N 2.383 121.910 119.950 -0.705 0.000 3.078 188 F HA -0.373 4.154 4.527 -0.001 0.000 0.250 188 F C 1.586 177.510 175.800 0.207 0.000 1.463 188 F CA 0.786 58.578 58.000 -0.346 0.000 1.788 188 F CB -1.799 36.788 39.000 -0.688 0.000 0.886 188 F HN 0.497 nan 8.300 nan 0.000 0.305 189 A N 0.135 123.178 122.820 0.371 0.000 2.507 189 A HA 0.536 4.856 4.320 -0.001 0.000 0.270 189 A C -0.281 177.387 177.584 0.140 0.000 1.318 189 A CA 0.215 52.363 52.037 0.185 0.000 0.924 189 A CB -0.378 18.540 19.000 -0.136 0.000 1.061 189 A HN 0.304 nan 8.150 nan 0.000 0.516 190 V N 1.946 121.967 119.914 0.178 0.000 2.372 190 V HA 0.045 4.165 4.120 -0.001 0.000 0.261 190 V C 0.850 177.063 176.094 0.197 0.000 1.055 190 V CA -0.416 61.985 62.300 0.169 0.000 0.930 190 V CB 0.232 32.174 31.823 0.198 0.000 1.031 190 V HN 0.492 nan 8.190 nan 0.000 0.479 191 N N 3.600 122.412 118.700 0.187 0.000 2.223 191 N HA -0.136 4.604 4.740 -0.001 0.000 0.185 191 N C 1.403 177.090 175.510 0.295 0.000 1.016 191 N CA 1.026 54.218 53.050 0.236 0.000 0.863 191 N CB 0.125 38.735 38.487 0.205 0.000 0.983 191 N HN 0.691 nan 8.380 nan 0.000 0.429 192 E N -0.153 120.175 120.200 0.214 0.000 2.502 192 E HA 0.179 4.529 4.350 -0.001 0.000 0.194 192 E C -0.214 176.466 176.600 0.134 0.000 1.062 192 E CA 0.125 56.629 56.400 0.173 0.000 0.867 192 E CB 0.113 29.898 29.700 0.141 0.000 0.888 192 E HN 0.289 nan 8.360 nan 0.000 0.510 193 L N 1.317 122.638 121.223 0.162 0.000 2.343 193 L HA 0.490 4.830 4.340 -0.001 0.000 0.278 193 L C -0.648 176.324 176.870 0.170 0.000 0.996 193 L CA -0.676 54.239 54.840 0.125 0.000 0.831 193 L CB 1.743 43.827 42.059 0.041 0.000 1.232 193 L HN 0.043 nan 8.230 nan 0.000 0.413 194 I N 2.747 123.362 120.570 0.075 0.000 2.377 194 I HA 0.619 4.789 4.170 -0.001 0.000 0.293 194 I C 0.412 176.635 176.117 0.177 0.000 0.987 194 I CA -0.350 60.949 61.300 -0.002 0.000 1.185 194 I CB 1.590 39.276 38.000 -0.523 0.000 1.341 194 I HN 0.729 nan 8.210 nan 0.000 0.455 195 A N 6.790 129.732 122.820 0.203 0.000 2.407 195 A HA 0.521 4.841 4.320 -0.001 0.000 0.248 195 A C -0.575 177.118 177.584 0.182 0.000 1.082 195 A CA -0.281 51.893 52.037 0.228 0.000 0.785 195 A CB 0.613 19.726 19.000 0.189 0.000 1.020 195 A HN 0.542 nan 8.150 nan 0.000 0.489 196 V N 2.935 122.916 119.914 0.112 0.000 2.483 196 V HA 0.302 4.422 4.120 -0.001 0.000 0.295 196 V C 0.588 176.581 176.094 -0.169 0.000 1.035 196 V CA -0.590 61.664 62.300 -0.075 0.000 0.896 196 V CB 1.588 33.360 31.823 -0.086 0.000 0.986 196 V HN 0.904 nan 8.190 nan 0.000 0.447 197 R N 3.540 123.862 120.500 -0.296 0.000 3.701 197 R HA 0.151 4.491 4.340 -0.001 0.000 0.210 197 R C 0.936 177.066 176.300 -0.283 0.000 1.598 197 R CA -0.325 55.631 56.100 -0.240 0.000 1.427 197 R CB 0.201 30.376 30.300 -0.209 0.000 1.339 197 R HN 0.623 nan 8.270 nan 0.000 0.720 198 Q N 1.534 121.216 119.800 -0.196 0.000 2.297 198 Q HA -0.213 4.127 4.340 -0.001 0.000 0.208 198 Q C 1.745 177.727 176.000 -0.029 0.000 0.981 198 Q CA 1.292 57.033 55.803 -0.104 0.000 0.876 198 Q CB 0.181 28.883 28.738 -0.060 0.000 0.921 198 Q HN 0.609 nan 8.270 nan 0.000 0.446 199 E N 0.579 120.770 120.200 -0.015 0.000 2.204 199 E HA -0.150 4.200 4.350 -0.001 0.000 0.195 199 E C 0.359 176.961 176.600 0.003 0.000 0.990 199 E CA 0.387 56.817 56.400 0.049 0.000 0.821 199 E CB -0.386 29.423 29.700 0.182 0.000 0.750 199 E HN 0.319 nan 8.360 nan 0.000 0.477 200 L N 2.104 123.289 121.223 -0.063 0.000 2.313 200 L HA 0.156 4.496 4.340 -0.001 0.000 0.282 200 L C 1.647 178.484 176.870 -0.055 0.000 1.092 200 L CA -0.195 54.623 54.840 -0.036 0.000 0.831 200 L CB 0.943 42.968 42.059 -0.057 0.000 1.159 200 L HN 0.038 nan 8.230 nan 0.000 0.442 201 E N 4.393 124.631 120.200 0.064 0.000 2.110 201 E HA -0.209 4.141 4.350 -0.001 0.000 0.193 201 E C 1.764 178.462 176.600 0.164 0.000 0.988 201 E CA 1.695 58.160 56.400 0.108 0.000 0.804 201 E CB 0.007 29.767 29.700 0.100 0.000 0.745 201 E HN 0.817 nan 8.360 nan 0.000 0.458 202 W N 0.228 121.557 121.300 0.048 0.000 2.374 202 W HA -0.110 4.550 4.660 -0.001 0.000 0.288 202 W C 1.279 177.816 176.519 0.029 0.000 1.218 202 W CA 0.652 58.024 57.345 0.046 0.000 1.245 202 W CB -0.751 28.730 29.460 0.035 0.000 1.126 202 W HN -0.067 nan 8.180 nan 0.000 0.545 203 V N 1.543 120.894 119.914 -0.938 0.000 2.379 203 V HA -0.270 3.850 4.120 -0.001 0.000 0.245 203 V C 2.335 178.109 176.094 -0.534 0.000 1.044 203 V CA 2.102 63.711 62.300 -1.152 0.000 1.036 203 V CB -1.397 29.615 31.823 -1.353 0.000 0.664 203 V HN 0.130 nan 8.190 nan 0.000 0.453 204 F N 1.617 121.348 119.950 -0.365 0.000 2.065 204 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 204 F C 2.386 178.146 175.800 -0.067 0.000 1.112 204 F CA 2.316 60.218 58.000 -0.164 0.000 1.212 204 F CB -0.399 38.497 39.000 -0.174 0.000 0.975 204 F HN 0.212 nan 8.300 nan 0.000 0.476 205 E N -0.181 119.918 120.200 -0.169 0.000 2.038 205 E HA -0.310 4.039 4.350 -0.001 0.000 0.195 205 E C 1.953 178.473 176.600 -0.133 0.000 1.000 205 E CA 1.779 58.072 56.400 -0.178 0.000 0.803 205 E CB -0.530 29.204 29.700 0.056 0.000 0.750 205 E HN 0.561 nan 8.360 nan 0.000 0.448 206 D N 0.163 120.550 120.400 -0.022 0.000 2.104 206 D HA -0.154 4.486 4.640 -0.001 0.000 0.194 206 D C 2.045 178.336 176.300 -0.015 0.000 0.994 206 D CA 1.987 56.044 54.000 0.094 0.000 0.830 206 D CB 0.031 41.008 40.800 0.295 0.000 0.959 206 D HN 0.133 nan 8.370 nan 0.000 0.452 207 S N -2.041 113.517 115.700 -0.236 0.000 2.489 207 S HA -0.077 4.393 4.470 -0.001 0.000 0.228 207 S C 1.275 175.454 174.600 -0.702 0.000 0.995 207 S CA 0.580 58.381 58.200 -0.665 0.000 0.934 207 S CB -0.318 62.154 63.200 -1.214 0.000 0.771 207 S HN 0.390 nan 8.310 nan 0.000 0.522 208 H N 0.126 118.909 119.070 -0.479 0.000 2.705 208 H HA 0.437 4.992 4.556 -0.001 0.000 0.269 208 H C 2.138 177.315 175.328 -0.251 0.000 0.998 208 H CA 0.348 56.142 56.048 -0.423 0.000 1.193 208 H CB 0.138 29.450 29.762 -0.751 0.000 1.485 208 H HN 0.373 nan 8.280 nan 0.000 0.521 209 S N 0.737 116.382 115.700 -0.091 0.000 2.359 209 S HA -0.264 4.206 4.470 -0.001 0.000 0.223 209 S C 2.230 176.826 174.600 -0.008 0.000 1.039 209 S CA 2.066 60.244 58.200 -0.037 0.000 1.042 209 S CB 0.053 63.259 63.200 0.011 0.000 0.915 209 S HN 0.277 nan 8.310 nan 0.000 0.439 210 K N 0.777 121.203 120.400 0.043 0.000 2.007 210 K HA 0.103 4.422 4.320 -0.001 0.000 0.206 210 K C 1.891 178.606 176.600 0.192 0.000 1.047 210 K CA 1.404 57.748 56.287 0.095 0.000 0.937 210 K CB -0.985 31.618 32.500 0.171 0.000 0.718 210 K HN 0.380 nan 8.250 nan 0.000 0.438 211 I N 0.789 121.485 120.570 0.211 0.000 2.454 211 I HA -0.087 4.083 4.170 -0.001 0.000 0.254 211 I C 1.418 177.767 176.117 0.386 0.000 1.156 211 I CA 1.200 62.703 61.300 0.338 0.000 1.433 211 I CB -0.036 38.075 38.000 0.185 0.000 1.082 211 I HN 0.193 nan 8.210 nan 0.000 0.432 212 L N -0.305 121.021 121.223 0.172 0.000 2.591 212 L HA 0.044 4.384 4.340 -0.001 0.000 0.228 212 L C 2.075 179.017 176.870 0.120 0.000 1.133 212 L CA 0.803 55.729 54.840 0.143 0.000 0.880 212 L CB -0.663 41.380 42.059 -0.026 0.000 1.033 212 L HN 0.338 nan 8.230 nan 0.000 0.450 213 S N -0.904 114.788 115.700 -0.013 0.000 2.603 213 S HA 0.100 4.569 4.470 -0.001 0.000 0.220 213 S C 0.433 174.840 174.600 -0.322 0.000 0.967 213 S CA -0.251 57.808 58.200 -0.235 0.000 0.920 213 S CB -0.246 62.705 63.200 -0.414 0.000 0.773 213 S HN 0.118 nan 8.310 nan 0.000 0.529 214 F N 1.797 121.830 119.950 0.138 0.000 2.440 214 F HA 0.510 5.037 4.527 -0.001 0.000 0.328 214 F C 0.921 176.749 175.800 0.047 0.000 1.070 214 F CA -1.208 56.844 58.000 0.087 0.000 1.011 214 F CB 0.813 39.891 39.000 0.129 0.000 1.226 214 F HN -0.056 nan 8.300 nan 0.000 0.491 215 E N 1.923 122.228 120.200 0.175 0.000 2.422 215 E HA 0.118 4.468 4.350 -0.001 0.000 0.267 215 E C -0.001 176.610 176.600 0.019 0.000 1.466 215 E CA -0.114 56.327 56.400 0.068 0.000 1.767 215 E CB -0.570 29.146 29.700 0.026 0.000 1.471 215 E HN 0.425 nan 8.360 nan 0.000 0.446 216 V N -2.042 117.889 119.914 0.029 0.000 3.264 216 V HA 0.194 4.314 4.120 -0.001 0.000 0.304 216 V C 0.771 176.836 176.094 -0.049 0.000 1.086 216 V CA -0.346 61.928 62.300 -0.045 0.000 1.090 216 V CB 1.118 32.888 31.823 -0.088 0.000 1.112 216 V HN -0.121 nan 8.190 nan 0.000 0.472 217 D N 0.743 121.140 120.400 -0.005 0.000 2.346 217 D HA 0.423 5.063 4.640 -0.001 0.000 0.206 217 D C 0.635 176.951 176.300 0.027 0.000 1.001 217 D CA 1.550 55.600 54.000 0.083 0.000 0.871 217 D CB 0.791 41.791 40.800 0.334 0.000 0.943 217 D HN 1.097 nan 8.370 nan 0.000 0.518 218 G N -1.224 107.481 108.800 -0.158 0.000 2.342 218 G HA2 0.413 4.372 3.960 -0.001 0.000 0.297 218 G HA3 0.413 4.372 3.960 -0.001 0.000 0.297 218 G C -2.038 172.568 174.900 -0.490 0.000 1.313 218 G CA -0.897 44.083 45.100 -0.199 0.000 0.830 218 G HN -0.046 nan 8.290 nan 0.000 0.506 219 Y N -0.445 120.003 120.300 0.248 0.000 2.524 219 Y HA 0.799 5.349 4.550 -0.001 0.000 0.347 219 Y C 0.215 176.261 175.900 0.244 0.000 1.005 219 Y CA -1.074 57.165 58.100 0.231 0.000 1.025 219 Y CB 2.349 40.923 38.460 0.191 0.000 1.275 219 Y HN 0.526 nan 8.280 nan 0.000 0.460 220 R N 3.469 124.195 120.500 0.377 0.000 2.437 220 R HA 0.471 4.810 4.340 -0.001 0.000 0.310 220 R C -1.829 174.652 176.300 0.302 0.000 0.955 220 R CA -0.535 55.732 56.100 0.279 0.000 0.851 220 R CB 0.867 31.285 30.300 0.197 0.000 1.161 220 R HN 0.710 nan 8.270 nan 0.000 0.446 221 I N 3.826 124.540 120.570 0.239 0.000 2.297 221 I HA 0.148 4.317 4.170 -0.001 0.000 0.291 221 I C 0.267 176.499 176.117 0.190 0.000 1.033 221 I CA -0.866 60.564 61.300 0.216 0.000 1.253 221 I CB 0.582 38.689 38.000 0.179 0.000 1.396 221 I HN 0.563 nan 8.210 nan 0.000 0.476 222 D N 5.594 126.121 120.400 0.211 0.000 2.458 222 D HA -0.047 4.593 4.640 -0.001 0.000 0.243 222 D C 0.789 177.189 176.300 0.168 0.000 1.146 222 D CA 0.689 54.806 54.000 0.196 0.000 0.877 222 D CB 0.269 41.197 40.800 0.214 0.000 1.176 222 D HN 0.542 nan 8.370 nan 0.000 0.461 223 H N 2.517 121.627 119.070 0.068 0.000 2.506 223 H HA -0.220 4.336 4.556 -0.001 0.000 0.323 223 H C 0.928 176.304 175.328 0.080 0.000 1.076 223 H CA 0.256 56.368 56.048 0.107 0.000 1.108 223 H CB -1.259 28.602 29.762 0.166 0.000 1.569 223 H HN 0.509 nan 8.280 nan 0.000 0.399 224 I N 0.486 121.041 120.570 -0.024 0.000 2.248 224 I HA -0.213 3.957 4.170 -0.001 0.000 0.248 224 I C 1.731 177.761 176.117 -0.145 0.000 1.107 224 I CA 1.949 63.179 61.300 -0.116 0.000 1.373 224 I CB -0.174 37.773 38.000 -0.089 0.000 1.055 224 I HN 0.485 nan 8.210 nan 0.000 0.418 225 D N 0.241 120.546 120.400 -0.160 0.000 2.378 225 D HA -0.035 4.605 4.640 -0.001 0.000 0.222 225 D C 2.143 178.280 176.300 -0.271 0.000 0.980 225 D CA 1.061 55.014 54.000 -0.078 0.000 0.907 225 D CB -0.391 40.443 40.800 0.057 0.000 0.899 225 D HN 0.532 nan 8.370 nan 0.000 0.527 226 G N -0.220 108.222 108.800 -0.597 0.000 2.572 226 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.216 226 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.216 226 G C 0.641 175.517 174.900 -0.039 0.000 1.133 226 G CA -0.069 44.916 45.100 -0.191 0.000 0.791 226 G HN 0.127 nan 8.290 nan 0.000 0.538 227 L N -0.294 120.886 121.223 -0.072 0.000 2.417 227 L HA 0.318 4.658 4.340 -0.001 0.000 0.268 227 L C 1.350 178.265 176.870 0.075 0.000 1.158 227 L CA -0.461 54.364 54.840 -0.027 0.000 0.819 227 L CB 0.703 42.676 42.059 -0.143 0.000 1.112 227 L HN 0.107 nan 8.230 nan 0.000 0.458 228 F N 1.758 121.691 119.950 -0.029 0.000 2.146 228 F HA -0.046 4.481 4.527 -0.001 0.000 0.298 228 F C 0.946 176.768 175.800 0.037 0.000 1.096 228 F CA 1.330 59.336 58.000 0.010 0.000 1.275 228 F CB 0.197 39.204 39.000 0.011 0.000 1.008 228 F HN 0.359 nan 8.300 nan 0.000 0.480 229 K N 0.561 120.979 120.400 0.030 0.000 2.827 229 K HA 0.195 4.515 4.320 -0.001 0.000 0.186 229 K C -2.101 174.480 176.600 -0.030 0.000 1.093 229 K CA -1.549 54.711 56.287 -0.046 0.000 0.993 229 K CB 1.325 33.820 32.500 -0.008 0.000 1.199 229 K HN -0.031 nan 8.250 nan 0.000 0.598 230 P HA -0.224 nan 4.420 nan 0.000 0.217 230 P C 1.097 178.152 177.300 -0.407 0.000 1.150 230 P CA 1.205 64.167 63.100 -0.231 0.000 0.832 230 P CB 0.489 32.031 31.700 -0.264 0.000 0.787 231 E N 0.394 120.407 120.200 -0.312 0.000 2.051 231 E HA -0.235 4.115 4.350 -0.001 0.000 0.192 231 E C 2.262 178.799 176.600 -0.106 0.000 0.991 231 E CA 1.115 57.372 56.400 -0.238 0.000 0.799 231 E CB -0.278 29.506 29.700 0.139 0.000 0.748 231 E HN 0.232 nan 8.360 nan 0.000 0.449 232 E N -0.510 119.628 120.200 -0.103 0.000 2.085 232 E HA -0.263 4.087 4.350 -0.001 0.000 0.194 232 E C 2.029 178.485 176.600 -0.239 0.000 0.994 232 E CA 1.321 57.632 56.400 -0.148 0.000 0.801 232 E CB -0.343 29.295 29.700 -0.102 0.000 0.743 232 E HN 0.427 nan 8.360 nan 0.000 0.453 233 Y N 1.281 121.385 120.300 -0.327 0.000 2.128 233 Y HA -0.228 4.322 4.550 -0.001 0.000 0.284 233 Y C 2.012 177.661 175.900 -0.418 0.000 1.154 233 Y CA 1.940 59.779 58.100 -0.435 0.000 1.149 233 Y CB -0.332 37.948 38.460 -0.301 0.000 0.976 233 Y HN 0.025 nan 8.280 nan 0.000 0.505 234 L N 0.003 121.048 121.223 -0.297 0.000 2.083 234 L HA -0.226 4.114 4.340 -0.001 0.000 0.209 234 L C 2.643 179.441 176.870 -0.120 0.000 1.083 234 L CA 1.539 56.227 54.840 -0.253 0.000 0.752 234 L CB -0.546 41.373 42.059 -0.233 0.000 0.899 234 L HN 0.184 nan 8.230 nan 0.000 0.433 235 R N -0.172 120.249 120.500 -0.131 0.000 2.075 235 R HA -0.118 4.221 4.340 -0.001 0.000 0.232 235 R C 2.448 178.546 176.300 -0.337 0.000 1.126 235 R CA 1.147 57.089 56.100 -0.263 0.000 0.963 235 R CB -0.293 29.777 30.300 -0.383 0.000 0.858 235 R HN 0.349 nan 8.270 nan 0.000 0.435 236 R N 0.498 120.688 120.500 -0.517 0.000 2.073 236 R HA -0.138 4.202 4.340 -0.001 0.000 0.234 236 R C 2.335 178.321 176.300 -0.522 0.000 1.134 236 R CA 1.193 56.891 56.100 -0.671 0.000 0.952 236 R CB -0.504 29.024 30.300 -1.287 0.000 0.850 236 R HN 0.093 nan 8.270 nan 0.000 0.433 237 L N 1.644 122.490 121.223 -0.628 0.000 1.989 237 L HA -0.208 4.132 4.340 -0.001 0.000 0.211 237 L C 2.213 178.977 176.870 -0.177 0.000 1.071 237 L CA 1.905 56.551 54.840 -0.323 0.000 0.749 237 L CB -0.474 41.268 42.059 -0.529 0.000 0.890 237 L HN 0.010 nan 8.230 nan 0.000 0.431 238 K N -0.745 119.562 120.400 -0.155 0.000 2.074 238 K HA -0.235 4.084 4.320 -0.001 0.000 0.209 238 K C 1.907 178.468 176.600 -0.065 0.000 1.048 238 K CA 1.783 58.033 56.287 -0.062 0.000 0.926 238 K CB -0.146 32.359 32.500 0.009 0.000 0.713 238 K HN 0.408 nan 8.250 nan 0.000 0.444 239 N N 0.826 119.465 118.700 -0.102 0.000 2.205 239 N HA -0.135 4.604 4.740 -0.001 0.000 0.186 239 N C 1.295 176.778 175.510 -0.043 0.000 1.015 239 N CA 1.133 54.134 53.050 -0.081 0.000 0.862 239 N CB 0.042 38.464 38.487 -0.109 0.000 0.986 239 N HN 0.270 nan 8.380 nan 0.000 0.429 240 K N 0.343 120.725 120.400 -0.030 0.000 2.262 240 K HA 0.141 4.461 4.320 -0.001 0.000 0.200 240 K C 1.710 178.309 176.600 -0.002 0.000 1.049 240 K CA 0.400 56.683 56.287 -0.007 0.000 0.979 240 K CB 0.308 32.814 32.500 0.010 0.000 0.773 240 K HN 0.317 nan 8.250 nan 0.000 0.474 241 I N -3.405 117.167 120.570 0.004 0.000 3.883 241 I HA 0.245 4.414 4.170 -0.001 0.000 0.326 241 I C 0.937 177.089 176.117 0.059 0.000 1.283 241 I CA 0.114 61.454 61.300 0.066 0.000 1.161 241 I CB -0.001 38.082 38.000 0.139 0.000 1.012 241 I HN 0.121 nan 8.210 nan 0.000 0.421 242 G N 3.222 112.032 108.800 0.018 0.000 2.561 242 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.289 242 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.289 242 G C 0.381 175.275 174.900 -0.010 0.000 1.169 242 G CA 0.584 45.685 45.100 0.002 0.000 0.980 242 G HN 0.457 nan 8.290 nan 0.000 0.550 243 N N 1.764 120.447 118.700 -0.027 0.000 2.280 243 N HA 0.101 4.840 4.740 -0.001 0.000 0.192 243 N C 0.654 176.075 175.510 -0.149 0.000 1.109 243 N CA 0.446 53.454 53.050 -0.070 0.000 0.855 243 N CB 0.307 38.754 38.487 -0.067 0.000 0.974 243 N HN 0.575 nan 8.380 nan 0.000 0.482 244 K N 1.106 121.455 120.400 -0.086 0.000 2.440 244 K HA 0.018 4.337 4.320 -0.001 0.000 0.270 244 K C 0.261 176.776 176.600 -0.143 0.000 0.980 244 K CA 0.126 56.345 56.287 -0.115 0.000 0.953 244 K CB 0.503 33.053 32.500 0.084 0.000 0.925 244 K HN 0.186 nan 8.250 nan 0.000 0.497 245 H N 1.528 120.607 119.070 0.014 0.000 2.690 245 H HA 0.206 4.762 4.556 -0.001 0.000 0.365 245 H C 0.059 175.337 175.328 -0.084 0.000 1.142 245 H CA 0.234 56.224 56.048 -0.096 0.000 1.417 245 H CB 0.589 30.309 29.762 -0.070 0.000 1.446 245 H HN 0.338 nan 8.280 nan 0.000 0.599 246 I N 2.847 123.297 120.570 -0.199 0.000 2.468 246 I HA 0.161 4.331 4.170 -0.001 0.000 0.285 246 I C -0.918 174.877 176.117 -0.537 0.000 1.039 246 I CA -0.288 60.909 61.300 -0.173 0.000 1.074 246 I CB 0.889 38.828 38.000 -0.100 0.000 1.228 246 I HN 0.226 nan 8.210 nan 0.000 0.436 247 F N 5.771 125.692 119.950 -0.050 0.000 2.508 247 F HA 0.654 5.181 4.527 -0.001 0.000 0.325 247 F C 0.128 175.855 175.800 -0.121 0.000 1.090 247 F CA -1.003 56.877 58.000 -0.200 0.000 0.945 247 F CB 2.003 40.698 39.000 -0.508 0.000 1.156 247 F HN 0.107 nan 8.300 nan 0.000 0.463 248 V N -0.706 119.247 119.914 0.064 0.000 2.667 248 V HA 0.524 4.643 4.120 -0.001 0.000 0.308 248 V C -0.412 175.736 176.094 0.090 0.000 1.048 248 V CA -0.919 61.430 62.300 0.081 0.000 0.928 248 V CB 1.752 33.624 31.823 0.082 0.000 1.004 248 V HN 0.866 nan 8.190 nan 0.000 0.444 249 E N 3.633 123.913 120.200 0.134 0.000 2.129 249 E HA 0.321 4.671 4.350 -0.001 0.000 0.283 249 E C -0.822 175.870 176.600 0.154 0.000 1.080 249 E CA -0.360 56.143 56.400 0.172 0.000 0.867 249 E CB 0.545 30.375 29.700 0.216 0.000 1.056 249 E HN 0.701 nan 8.360 nan 0.000 0.404 250 K N 6.084 126.562 120.400 0.131 0.000 2.571 250 K HA 0.211 4.530 4.320 -0.001 0.000 0.252 250 K C -1.326 175.241 176.600 -0.055 0.000 0.956 250 K CA -0.724 55.602 56.287 0.064 0.000 0.822 250 K CB 0.999 33.589 32.500 0.150 0.000 1.286 250 K HN 0.479 nan 8.250 nan 0.000 0.439 251 I N 5.849 126.221 120.570 -0.329 0.000 2.312 251 I HA 0.288 4.457 4.170 -0.001 0.000 0.291 251 I C 0.415 176.259 176.117 -0.455 0.000 1.031 251 I CA -0.638 60.323 61.300 -0.564 0.000 1.293 251 I CB 0.357 37.587 38.000 -1.284 0.000 1.403 251 I HN 0.429 nan 8.210 nan 0.000 0.484 252 L N 5.119 126.213 121.223 -0.215 0.000 2.343 252 L HA 0.388 4.728 4.340 -0.001 0.000 0.275 252 L C 0.796 177.597 176.870 -0.115 0.000 1.056 252 L CA -0.326 54.441 54.840 -0.121 0.000 0.804 252 L CB 1.431 43.475 42.059 -0.025 0.000 1.203 252 L HN 0.534 nan 8.230 nan 0.000 0.440 253 S N 1.875 117.527 115.700 -0.079 0.000 2.617 253 S HA 0.409 4.878 4.470 -0.001 0.000 0.269 253 S C 0.114 174.695 174.600 -0.031 0.000 1.292 253 S CA -0.589 57.577 58.200 -0.057 0.000 1.010 253 S CB 0.831 64.022 63.200 -0.015 0.000 0.944 253 S HN 0.308 nan 8.310 nan 0.000 0.536 254 I N 2.182 122.701 120.570 -0.086 0.000 2.741 254 I HA 0.122 4.292 4.170 -0.001 0.000 0.288 254 I C 1.483 177.607 176.117 0.012 0.000 1.192 254 I CA 1.171 62.405 61.300 -0.111 0.000 1.426 254 I CB -0.161 37.575 38.000 -0.440 0.000 1.367 254 I HN 1.001 nan 8.210 nan 0.000 0.563 255 G N 4.163 113.019 108.800 0.093 0.000 2.234 255 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.260 255 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.260 255 G C 0.293 175.225 174.900 0.054 0.000 0.987 255 G CA 0.147 45.298 45.100 0.086 0.000 0.625 255 G HN 0.665 nan 8.290 nan 0.000 0.532 256 E N 0.885 121.110 120.200 0.041 0.000 2.289 256 E HA 0.455 4.805 4.350 -0.001 0.000 0.278 256 E C 0.262 176.858 176.600 -0.006 0.000 1.032 256 E CA -0.587 55.819 56.400 0.010 0.000 0.854 256 E CB 0.411 30.109 29.700 -0.003 0.000 1.046 256 E HN 0.330 nan 8.360 nan 0.000 0.409 257 K N 4.896 125.270 120.400 -0.044 0.000 2.130 257 K HA 0.166 4.486 4.320 -0.001 0.000 0.268 257 K C -0.438 176.065 176.600 -0.163 0.000 0.983 257 K CA -0.821 55.416 56.287 -0.083 0.000 0.893 257 K CB 0.816 33.264 32.500 -0.087 0.000 1.066 257 K HN 0.421 nan 8.250 nan 0.000 0.450 258 L N 4.089 125.202 121.223 -0.182 0.000 2.601 258 L HA -0.007 4.333 4.340 -0.001 0.000 0.277 258 L C 1.286 177.863 176.870 -0.489 0.000 1.219 258 L CA 0.591 55.243 54.840 -0.314 0.000 0.915 258 L CB 0.486 42.430 42.059 -0.192 0.000 1.160 258 L HN 0.747 nan 8.230 nan 0.000 0.494 259 R N 4.628 124.546 120.500 -0.971 0.000 2.189 259 R HA -0.024 4.316 4.340 -0.001 0.000 0.223 259 R C -0.506 175.286 176.300 -0.846 0.000 1.092 259 R CA 1.100 56.547 56.100 -1.089 0.000 0.989 259 R CB 0.115 29.391 30.300 -1.707 0.000 0.876 259 R HN 0.621 nan 8.270 nan 0.000 0.457 260 W N 0.898 122.035 121.300 -0.273 0.000 2.299 260 W HA 0.280 4.939 4.660 -0.000 0.000 0.319 260 W C -0.537 175.729 176.519 -0.422 0.000 1.008 260 W CA -1.149 55.959 57.345 -0.396 0.000 1.384 260 W CB 1.025 30.078 29.460 -0.677 0.000 1.220 260 W HN -0.003 nan 8.180 nan 0.000 0.402 261 D N 1.451 121.830 120.400 -0.034 0.000 2.355 261 D HA -0.054 4.585 4.640 -0.001 0.000 0.218 261 D C 1.485 177.789 176.300 0.006 0.000 1.004 261 D CA 0.727 54.715 54.000 -0.020 0.000 0.880 261 D CB 0.063 40.889 40.800 0.043 0.000 0.911 261 D HN 0.375 nan 8.370 nan 0.000 0.528 262 F N 0.030 119.987 119.950 0.012 0.000 2.664 262 F HA 0.303 4.830 4.527 -0.001 0.000 0.303 262 F C 0.623 176.395 175.800 -0.047 0.000 1.092 262 F CA -0.919 57.067 58.000 -0.023 0.000 1.305 262 F CB -0.632 38.350 39.000 -0.029 0.000 1.054 262 F HN -0.217 nan 8.300 nan 0.000 0.565 263 I N -2.601 117.724 120.570 -0.407 0.000 3.217 263 I HA 0.459 4.629 4.170 -0.001 0.000 0.308 263 I C 0.468 176.426 176.117 -0.265 0.000 1.091 263 I CA -0.840 60.266 61.300 -0.324 0.000 1.013 263 I CB 1.338 39.094 38.000 -0.407 0.000 1.250 263 I HN -0.195 nan 8.210 nan 0.000 0.496 264 D N 0.950 121.119 120.400 -0.384 0.000 2.289 264 D HA 0.245 4.885 4.640 -0.001 0.000 0.207 264 D C 0.837 176.982 176.300 -0.259 0.000 0.966 264 D CA 1.325 55.070 54.000 -0.426 0.000 0.868 264 D CB 0.728 41.013 40.800 -0.858 0.000 0.943 264 D HN 0.901 nan 8.370 nan 0.000 0.514 265 G N 0.235 108.906 108.800 -0.215 0.000 2.291 265 G HA2 0.023 3.983 3.960 -0.001 0.000 0.249 265 G HA3 0.023 3.983 3.960 -0.001 0.000 0.249 265 G C -0.505 174.431 174.900 0.059 0.000 1.340 265 G CA -0.106 44.988 45.100 -0.009 0.000 1.017 265 G HN 0.194 nan 8.290 nan 0.000 0.470 266 T N -3.223 111.367 114.554 0.060 0.000 2.905 266 T HA 0.617 4.966 4.350 -0.001 0.000 0.283 266 T C 1.512 176.067 174.700 -0.243 0.000 1.031 266 T CA 1.037 63.131 62.100 -0.010 0.000 1.002 266 T CB 1.317 70.212 68.868 0.044 0.000 1.200 266 T HN 1.781 nan 8.240 nan 0.000 0.560 267 T N -2.646 111.756 114.554 -0.253 0.000 3.160 267 T HA 0.374 4.724 4.350 -0.001 0.000 0.257 267 T C 1.529 176.161 174.700 -0.114 0.000 1.147 267 T CA 0.381 62.261 62.100 -0.367 0.000 1.064 267 T CB -0.935 67.867 68.868 -0.110 0.000 0.949 267 T HN 1.975 nan 8.240 nan 0.000 0.526 268 G N 0.469 109.247 108.800 -0.037 0.000 2.164 268 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.212 268 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.212 268 G C 0.237 175.163 174.900 0.043 0.000 1.031 268 G CA -0.002 45.135 45.100 0.062 0.000 0.730 268 G HN 0.515 nan 8.290 nan 0.000 0.501 269 Y N 1.229 121.597 120.300 0.112 0.000 2.421 269 Y HA -0.046 4.504 4.550 -0.001 0.000 0.292 269 Y C 2.599 178.555 175.900 0.094 0.000 1.136 269 Y CA 1.571 59.719 58.100 0.080 0.000 1.255 269 Y CB -0.014 38.446 38.460 0.000 0.000 0.991 269 Y HN 0.526 nan 8.280 nan 0.000 0.552 270 D N -0.388 120.171 120.400 0.264 0.000 2.084 270 D HA -0.283 4.356 4.640 -0.001 0.000 0.194 270 D C 2.014 178.446 176.300 0.221 0.000 0.990 270 D CA 1.189 55.337 54.000 0.247 0.000 0.826 270 D CB -1.312 39.675 40.800 0.311 0.000 0.971 270 D HN 0.348 nan 8.370 nan 0.000 0.453 271 F N 0.813 120.894 119.950 0.219 0.000 2.134 271 F HA -0.058 4.469 4.527 -0.001 0.000 0.299 271 F C 2.396 178.296 175.800 0.166 0.000 1.097 271 F CA 0.906 59.048 58.000 0.236 0.000 1.264 271 F CB -0.267 38.892 39.000 0.264 0.000 1.001 271 F HN -0.029 nan 8.300 nan 0.000 0.479 272 L N 0.685 122.090 121.223 0.302 0.000 2.013 272 L HA -0.329 4.010 4.340 -0.001 0.000 0.212 272 L C 2.463 179.361 176.870 0.045 0.000 1.073 272 L CA 2.347 57.294 54.840 0.178 0.000 0.753 272 L CB -0.834 41.325 42.059 0.166 0.000 0.890 272 L HN 0.387 nan 8.230 nan 0.000 0.432 273 N N -1.549 117.171 118.700 0.033 0.000 2.109 273 N HA -0.247 4.493 4.740 -0.001 0.000 0.188 273 N C 2.051 177.455 175.510 -0.178 0.000 1.034 273 N CA 1.452 54.464 53.050 -0.063 0.000 0.846 273 N CB -0.259 38.172 38.487 -0.092 0.000 1.010 273 N HN 0.343 nan 8.380 nan 0.000 0.425 274 Y N 1.704 121.798 120.300 -0.342 0.000 2.128 274 Y HA -0.209 4.340 4.550 -0.001 0.000 0.284 274 Y C 3.155 178.903 175.900 -0.252 0.000 1.154 274 Y CA 2.133 60.005 58.100 -0.380 0.000 1.149 274 Y CB -0.477 37.513 38.460 -0.785 0.000 0.976 274 Y HN 0.276 nan 8.280 nan 0.000 0.505 275 S N -0.405 115.168 115.700 -0.212 0.000 2.383 275 S HA -0.210 4.259 4.470 -0.001 0.000 0.227 275 S C 1.888 176.461 174.600 -0.044 0.000 1.026 275 S CA 1.311 59.313 58.200 -0.330 0.000 0.981 275 S CB -0.771 62.131 63.200 -0.496 0.000 0.818 275 S HN 0.463 nan 8.310 nan 0.000 0.472 276 N N 1.776 120.471 118.700 -0.009 0.000 2.149 276 N HA 0.014 4.754 4.740 -0.001 0.000 0.188 276 N C 1.445 176.991 175.510 0.060 0.000 1.019 276 N CA 1.326 54.420 53.050 0.073 0.000 0.857 276 N CB -0.684 37.814 38.487 0.017 0.000 0.997 276 N HN 0.500 nan 8.380 nan 0.000 0.426 277 L N -0.039 121.149 121.223 -0.060 0.000 2.551 277 L HA 0.025 4.365 4.340 -0.001 0.000 0.228 277 L C 1.472 178.265 176.870 -0.128 0.000 1.153 277 L CA 0.216 54.998 54.840 -0.097 0.000 0.851 277 L CB -0.089 41.891 42.059 -0.132 0.000 0.959 277 L HN 0.246 nan 8.230 nan 0.000 0.451 278 L N -1.970 119.121 121.223 -0.219 0.000 2.509 278 L HA -0.022 4.318 4.340 -0.001 0.000 0.222 278 L C 1.296 177.839 176.870 -0.545 0.000 1.123 278 L CA 0.547 55.109 54.840 -0.463 0.000 0.856 278 L CB -0.046 41.526 42.059 -0.812 0.000 0.985 278 L HN 0.191 nan 8.230 nan 0.000 0.456 279 F N -0.844 119.034 119.950 -0.121 0.000 2.695 279 F HA 0.084 4.611 4.527 -0.001 0.000 0.303 279 F C 1.518 177.268 175.800 -0.083 0.000 1.091 279 F CA -0.407 57.540 58.000 -0.089 0.000 1.300 279 F CB -0.027 38.923 39.000 -0.083 0.000 1.071 279 F HN -0.070 nan 8.300 nan 0.000 0.578 280 T N -2.519 112.037 114.554 0.003 0.000 2.918 280 T HA 0.484 4.834 4.350 -0.001 0.000 0.283 280 T C -0.714 174.027 174.700 0.068 0.000 1.001 280 T CA -0.572 61.495 62.100 -0.055 0.000 1.041 280 T CB 2.412 71.061 68.868 -0.364 0.000 1.028 280 T HN -0.088 nan 8.240 nan 0.000 0.511 281 D N -0.391 120.106 120.400 0.162 0.000 2.570 281 D HA 0.322 4.961 4.640 -0.001 0.000 0.244 281 D C -0.670 175.787 176.300 0.262 0.000 1.178 281 D CA -0.668 53.443 54.000 0.186 0.000 0.881 281 D CB 1.165 42.034 40.800 0.114 0.000 1.453 281 D HN 0.787 nan 8.370 nan 0.000 0.447 282 N N 0.830 119.629 118.700 0.165 0.000 2.714 282 N HA -0.222 4.518 4.740 -0.001 0.000 0.253 282 N C 0.673 176.197 175.510 0.024 0.000 1.024 282 N CA 0.896 54.007 53.050 0.101 0.000 0.726 282 N CB -0.489 38.062 38.487 0.106 0.000 0.908 282 N HN 0.512 nan 8.380 nan 0.000 0.542 283 E N 0.356 120.490 120.200 -0.111 0.000 2.070 283 E HA -0.297 4.053 4.350 -0.001 0.000 0.197 283 E C 0.956 177.360 176.600 -0.328 0.000 1.004 283 E CA 1.749 57.782 56.400 -0.612 0.000 0.805 283 E CB 0.137 29.476 29.700 -0.602 0.000 0.744 283 E HN 0.401 nan 8.360 nan 0.000 0.451 284 D N 0.398 120.711 120.400 -0.144 0.000 2.092 284 D HA -0.169 4.471 4.640 -0.001 0.000 0.193 284 D C 1.933 178.216 176.300 -0.029 0.000 0.994 284 D CA 1.208 55.165 54.000 -0.071 0.000 0.828 284 D CB -0.167 40.614 40.800 -0.032 0.000 0.963 284 D HN 0.216 nan 8.370 nan 0.000 0.450 285 K N -0.083 120.319 120.400 0.002 0.000 2.026 285 K HA -0.061 4.258 4.320 -0.001 0.000 0.208 285 K C 2.168 178.819 176.600 0.086 0.000 1.048 285 K CA 0.808 57.124 56.287 0.048 0.000 0.929 285 K CB -0.051 32.493 32.500 0.072 0.000 0.713 285 K HN 0.076 nan 8.250 nan 0.000 0.439 286 M N 0.520 120.173 119.600 0.088 0.000 2.159 286 M HA -0.105 4.375 4.480 -0.001 0.000 0.263 286 M C 2.117 178.501 176.300 0.139 0.000 1.063 286 M CA 1.651 57.049 55.300 0.165 0.000 1.110 286 M CB -1.183 31.539 32.600 0.202 0.000 1.374 286 M HN 0.112 nan 8.290 nan 0.000 0.411 287 T N 0.000 114.571 114.554 0.027 0.000 2.746 287 T HA -0.148 4.201 4.350 -0.001 0.000 0.267 287 T C 1.802 176.554 174.700 0.086 0.000 1.039 287 T CA 1.588 63.723 62.100 0.059 0.000 1.142 287 T CB -0.136 68.725 68.868 -0.012 0.000 0.866 287 T HN 0.259 nan 8.240 nan 0.000 0.444 288 E N 1.056 121.287 120.200 0.052 0.000 2.106 288 E HA 0.002 4.351 4.350 -0.001 0.000 0.192 288 E C 1.992 178.609 176.600 0.028 0.000 0.984 288 E CA 0.822 57.241 56.400 0.032 0.000 0.806 288 E CB -0.528 29.183 29.700 0.018 0.000 0.750 288 E HN 0.516 nan 8.360 nan 0.000 0.458 289 I N -0.234 120.377 120.570 0.068 0.000 2.163 289 I HA -0.292 3.878 4.170 -0.001 0.000 0.243 289 I C 2.049 178.152 176.117 -0.022 0.000 1.085 289 I CA 1.381 62.707 61.300 0.045 0.000 1.347 289 I CB -0.350 37.749 38.000 0.166 0.000 1.044 289 I HN 0.189 nan 8.210 nan 0.000 0.408 290 Y N 1.615 121.865 120.300 -0.083 0.000 2.293 290 Y HA -0.218 4.331 4.550 -0.001 0.000 0.291 290 Y C 2.497 178.324 175.900 -0.121 0.000 1.137 290 Y CA 1.405 59.414 58.100 -0.151 0.000 1.202 290 Y CB -0.259 38.161 38.460 -0.066 0.000 0.990 290 Y HN 0.012 nan 8.280 nan 0.000 0.537 291 K N 0.179 120.522 120.400 -0.095 0.000 2.113 291 K HA -0.252 4.067 4.320 -0.001 0.000 0.208 291 K C 1.293 177.776 176.600 -0.195 0.000 1.047 291 K CA 2.079 58.289 56.287 -0.130 0.000 0.928 291 K CB -0.236 32.240 32.500 -0.040 0.000 0.716 291 K HN 0.428 nan 8.250 nan 0.000 0.446 292 N N -0.389 118.196 118.700 -0.192 0.000 2.463 292 N HA 0.048 4.787 4.740 -0.001 0.000 0.181 292 N C 1.233 176.596 175.510 -0.244 0.000 1.078 292 N CA 0.424 53.363 53.050 -0.184 0.000 0.902 292 N CB 0.258 38.659 38.487 -0.143 0.000 0.970 292 N HN 0.155 nan 8.380 nan 0.000 0.451 293 I N -0.659 119.688 120.570 -0.372 0.000 2.512 293 I HA 0.105 4.274 4.170 -0.001 0.000 0.247 293 I C -0.277 175.606 176.117 -0.390 0.000 1.094 293 I CA 0.459 61.528 61.300 -0.385 0.000 1.427 293 I CB 0.524 38.237 38.000 -0.479 0.000 1.149 293 I HN 0.015 nan 8.210 nan 0.000 0.438 294 L N 0.424 121.262 121.223 -0.642 0.000 2.639 294 L HA 0.393 4.733 4.340 -0.001 0.000 0.264 294 L C -1.722 174.886 176.870 -0.436 0.000 0.948 294 L CA -0.387 54.175 54.840 -0.463 0.000 0.912 294 L CB 1.419 43.265 42.059 -0.355 0.000 1.294 294 L HN -0.098 nan 8.230 nan 0.000 0.412 295 D N 4.988 125.268 120.400 -0.200 0.000 2.427 295 D HA 0.631 5.271 4.640 -0.001 0.000 0.226 295 D C -0.878 175.420 176.300 -0.004 0.000 1.076 295 D CA -0.033 53.916 54.000 -0.086 0.000 0.849 295 D CB 0.562 41.322 40.800 -0.067 0.000 1.052 295 D HN 0.413 nan 8.370 nan 0.000 0.515 296 I N 0.017 120.635 120.570 0.079 0.000 2.969 296 I HA 0.459 4.629 4.170 -0.001 0.000 0.307 296 I C -0.455 175.738 176.117 0.127 0.000 1.149 296 I CA -1.045 60.313 61.300 0.096 0.000 1.008 296 I CB 1.515 39.578 38.000 0.104 0.000 1.232 296 I HN 0.072 nan 8.210 nan 0.000 0.435 297 D N 2.470 122.911 120.400 0.069 0.000 2.312 297 D HA 0.134 4.773 4.640 -0.001 0.000 0.252 297 D C 0.726 177.028 176.300 0.003 0.000 1.150 297 D CA -0.267 53.761 54.000 0.047 0.000 0.870 297 D CB 1.566 42.383 40.800 0.028 0.000 1.153 297 D HN 0.740 nan 8.370 nan 0.000 0.457 298 L N 5.164 126.350 121.223 -0.061 0.000 1.994 298 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 298 L C 1.561 178.342 176.870 -0.149 0.000 1.071 298 L CA 1.824 56.529 54.840 -0.226 0.000 0.745 298 L CB -0.337 41.440 42.059 -0.469 0.000 0.892 298 L HN 0.421 nan 8.230 nan 0.000 0.431 299 D N -0.283 120.091 120.400 -0.044 0.000 2.123 299 D HA -0.217 4.423 4.640 -0.001 0.000 0.196 299 D C 2.098 178.380 176.300 -0.030 0.000 0.992 299 D CA 1.634 55.633 54.000 -0.001 0.000 0.833 299 D CB -0.066 40.779 40.800 0.075 0.000 0.954 299 D HN 0.539 nan 8.370 nan 0.000 0.455 300 E N -0.001 120.186 120.200 -0.023 0.000 2.051 300 E HA -0.165 4.184 4.350 -0.001 0.000 0.192 300 E C 2.111 178.684 176.600 -0.045 0.000 0.991 300 E CA 0.364 56.748 56.400 -0.027 0.000 0.799 300 E CB -0.119 29.573 29.700 -0.013 0.000 0.748 300 E HN 0.082 nan 8.360 nan 0.000 0.449 301 L N 0.648 121.839 121.223 -0.053 0.000 2.012 301 L HA -0.195 4.144 4.340 -0.001 0.000 0.210 301 L C 2.201 179.005 176.870 -0.110 0.000 1.073 301 L CA 1.533 56.332 54.840 -0.069 0.000 0.748 301 L CB -0.437 41.586 42.059 -0.059 0.000 0.891 301 L HN -0.029 nan 8.230 nan 0.000 0.431 302 V N -0.276 119.551 119.914 -0.144 0.000 2.295 302 V HA -0.306 3.813 4.120 -0.001 0.000 0.246 302 V C 2.606 178.618 176.094 -0.136 0.000 1.049 302 V CA 2.196 64.391 62.300 -0.174 0.000 1.024 302 V CB -0.703 31.028 31.823 -0.152 0.000 0.648 302 V HN 0.459 nan 8.190 nan 0.000 0.447 303 K N -0.399 119.941 120.400 -0.100 0.000 2.032 303 K HA -0.182 4.138 4.320 -0.001 0.000 0.209 303 K C 2.239 178.791 176.600 -0.081 0.000 1.048 303 K CA 1.479 57.712 56.287 -0.089 0.000 0.927 303 K CB -0.196 32.267 32.500 -0.062 0.000 0.712 303 K HN 0.380 nan 8.250 nan 0.000 0.441 304 E N 0.153 120.312 120.200 -0.068 0.000 2.106 304 E HA -0.094 4.255 4.350 -0.001 0.000 0.192 304 E C 2.090 178.654 176.600 -0.060 0.000 0.984 304 E CA 1.174 57.541 56.400 -0.056 0.000 0.806 304 E CB -0.369 29.304 29.700 -0.045 0.000 0.750 304 E HN 0.262 nan 8.360 nan 0.000 0.458 305 T N 1.505 116.014 114.554 -0.075 0.000 2.746 305 T HA -0.108 4.242 4.350 -0.001 0.000 0.267 305 T C 1.848 176.504 174.700 -0.073 0.000 1.039 305 T CA 1.251 63.307 62.100 -0.074 0.000 1.142 305 T CB -0.036 68.775 68.868 -0.094 0.000 0.866 305 T HN 0.142 nan 8.240 nan 0.000 0.444 306 K N 1.003 121.344 120.400 -0.100 0.000 2.063 306 K HA -0.080 4.239 4.320 -0.001 0.000 0.208 306 K C 2.431 178.995 176.600 -0.059 0.000 1.048 306 K CA 1.223 57.450 56.287 -0.100 0.000 0.928 306 K CB -0.087 32.319 32.500 -0.157 0.000 0.713 306 K HN 0.285 nan 8.250 nan 0.000 0.442 307 K N 0.966 121.329 120.400 -0.061 0.000 2.057 307 K HA -0.184 4.135 4.320 -0.001 0.000 0.207 307 K C 2.179 178.770 176.600 -0.015 0.000 1.049 307 K CA 1.306 57.565 56.287 -0.046 0.000 0.931 307 K CB -0.063 32.406 32.500 -0.050 0.000 0.714 307 K HN 0.086 nan 8.250 nan 0.000 0.440 308 K N 1.098 121.486 120.400 -0.020 0.000 2.057 308 K HA -0.140 4.179 4.320 -0.001 0.000 0.207 308 K C 2.057 178.652 176.600 -0.008 0.000 1.049 308 K CA 1.059 57.339 56.287 -0.012 0.000 0.931 308 K CB 0.040 32.525 32.500 -0.025 0.000 0.714 308 K HN -0.031 nan 8.250 nan 0.000 0.440 309 I N 1.748 122.313 120.570 -0.009 0.000 2.208 309 I HA -0.281 3.888 4.170 -0.001 0.000 0.245 309 I C 2.318 178.458 176.117 0.037 0.000 1.097 309 I CA 1.415 62.712 61.300 -0.006 0.000 1.363 309 I CB -0.763 37.252 38.000 0.023 0.000 1.051 309 I HN 0.274 nan 8.210 nan 0.000 0.413 310 I N 0.540 121.178 120.570 0.114 0.000 2.179 310 I HA -0.315 3.855 4.170 -0.001 0.000 0.242 310 I C 2.189 178.412 176.117 0.176 0.000 1.088 310 I CA 1.452 62.873 61.300 0.202 0.000 1.357 310 I CB -0.478 37.589 38.000 0.113 0.000 1.051 310 I HN 0.171 nan 8.210 nan 0.000 0.409 311 D N 0.353 120.833 120.400 0.133 0.000 2.117 311 D HA -0.154 4.486 4.640 -0.001 0.000 0.197 311 D C 2.319 178.639 176.300 0.032 0.000 0.987 311 D CA 2.178 56.257 54.000 0.131 0.000 0.829 311 D CB -0.229 40.629 40.800 0.097 0.000 0.961 311 D HN 0.435 nan 8.370 nan 0.000 0.460 312 T N -2.132 112.408 114.554 -0.024 0.000 3.009 312 T HA 0.107 4.456 4.350 -0.001 0.000 0.258 312 T C 2.114 176.721 174.700 -0.154 0.000 1.063 312 T CA 0.318 62.374 62.100 -0.074 0.000 1.139 312 T CB -0.031 68.795 68.868 -0.069 0.000 0.890 312 T HN 0.091 nan 8.240 nan 0.000 0.471 313 L N -1.883 119.170 121.223 -0.283 0.000 2.577 313 L HA 0.450 4.790 4.340 -0.001 0.000 0.225 313 L C 0.734 177.216 176.870 -0.647 0.000 1.053 313 L CA 0.264 54.736 54.840 -0.615 0.000 0.866 313 L CB 0.408 41.805 42.059 -1.103 0.000 1.132 313 L HN 0.146 nan 8.230 nan 0.000 0.486 314 F N -0.547 119.433 119.950 0.051 0.000 2.791 314 F HA 0.251 4.777 4.527 -0.001 0.000 0.316 314 F C 1.691 177.514 175.800 0.038 0.000 1.134 314 F CA -0.652 57.380 58.000 0.052 0.000 1.222 314 F CB -0.036 38.989 39.000 0.042 0.000 1.034 314 F HN -0.182 nan 8.300 nan 0.000 0.516 315 K N 0.345 120.833 120.400 0.147 0.000 2.009 315 K HA -0.268 4.052 4.320 -0.001 0.000 0.210 315 K C 2.135 178.704 176.600 -0.052 0.000 1.049 315 K CA 2.150 58.472 56.287 0.058 0.000 0.929 315 K CB -0.219 32.248 32.500 -0.056 0.000 0.714 315 K HN 0.319 nan 8.250 nan 0.000 0.440 316 H N 0.957 119.949 119.070 -0.131 0.000 2.353 316 H HA -0.101 4.455 4.556 -0.001 0.000 0.300 316 H C 1.451 176.654 175.328 -0.208 0.000 1.090 316 H CA 2.263 58.154 56.048 -0.262 0.000 1.327 316 H CB -0.152 29.350 29.762 -0.433 0.000 1.383 316 H HN 0.374 nan 8.280 nan 0.000 0.508 317 D N 0.209 120.522 120.400 -0.144 0.000 2.123 317 D HA -0.149 4.491 4.640 -0.001 0.000 0.196 317 D C 2.082 178.061 176.300 -0.535 0.000 0.992 317 D CA 1.249 55.047 54.000 -0.337 0.000 0.833 317 D CB 0.078 40.766 40.800 -0.186 0.000 0.954 317 D HN 0.408 nan 8.370 nan 0.000 0.455 318 I N 1.188 121.587 120.570 -0.285 0.000 2.400 318 I HA -0.092 4.078 4.170 -0.001 0.000 0.248 318 I C 2.279 178.359 176.117 -0.061 0.000 1.109 318 I CA 0.639 61.841 61.300 -0.164 0.000 1.425 318 I CB -1.040 36.993 38.000 0.055 0.000 1.094 318 I HN 0.011 nan 8.210 nan 0.000 0.425 319 E N 0.839 120.997 120.200 -0.070 0.000 2.070 319 E HA -0.246 4.104 4.350 -0.001 0.000 0.197 319 E C 2.340 178.819 176.600 -0.203 0.000 1.004 319 E CA 1.306 57.629 56.400 -0.128 0.000 0.805 319 E CB -0.090 29.424 29.700 -0.310 0.000 0.744 319 E HN 0.379 nan 8.360 nan 0.000 0.451 320 R N 0.225 120.492 120.500 -0.387 0.000 2.094 320 R HA -0.182 4.158 4.340 -0.001 0.000 0.239 320 R C 2.420 178.572 176.300 -0.247 0.000 1.137 320 R CA 1.611 57.475 56.100 -0.393 0.000 0.943 320 R CB -0.362 29.555 30.300 -0.638 0.000 0.850 320 R HN 0.238 nan 8.270 nan 0.000 0.433 321 I N 0.015 120.438 120.570 -0.243 0.000 2.353 321 I HA -0.193 3.976 4.170 -0.001 0.000 0.248 321 I C 2.197 178.269 176.117 -0.076 0.000 1.119 321 I CA 0.844 62.057 61.300 -0.145 0.000 1.417 321 I CB -0.179 37.729 38.000 -0.154 0.000 1.078 321 I HN 0.081 nan 8.210 nan 0.000 0.421 322 S N 0.843 116.506 115.700 -0.062 0.000 2.359 322 S HA -0.177 4.292 4.470 -0.001 0.000 0.224 322 S C 2.073 176.664 174.600 -0.015 0.000 1.035 322 S CA 1.357 59.550 58.200 -0.012 0.000 1.018 322 S CB -0.231 62.998 63.200 0.050 0.000 0.876 322 S HN 0.327 nan 8.310 nan 0.000 0.448 323 M N 0.744 120.323 119.600 -0.035 0.000 2.108 323 M HA -0.063 4.416 4.480 -0.001 0.000 0.261 323 M C 2.177 178.464 176.300 -0.022 0.000 1.066 323 M CA 1.495 56.777 55.300 -0.031 0.000 1.107 323 M CB -1.148 31.421 32.600 -0.051 0.000 1.356 323 M HN 0.382 nan 8.290 nan 0.000 0.406 324 M N -0.530 119.054 119.600 -0.028 0.000 2.175 324 M HA -0.176 4.304 4.480 -0.001 0.000 0.264 324 M C 2.017 178.324 176.300 0.011 0.000 1.063 324 M CA 1.344 56.641 55.300 -0.005 0.000 1.119 324 M CB -0.399 32.200 32.600 -0.002 0.000 1.377 324 M HN 0.184 nan 8.290 nan 0.000 0.415 325 L N -0.537 120.693 121.223 0.011 0.000 2.478 325 L HA 0.089 4.428 4.340 -0.001 0.000 0.223 325 L C 1.318 178.189 176.870 0.002 0.000 1.140 325 L CA 0.365 55.217 54.840 0.020 0.000 0.842 325 L CB -0.567 41.510 42.059 0.030 0.000 0.953 325 L HN 0.618 nan 8.230 nan 0.000 0.452 326 G N 0.515 109.315 108.800 -0.001 0.000 2.198 326 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.260 326 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.260 326 G C -0.052 174.844 174.900 -0.006 0.000 1.025 326 G CA 0.236 45.334 45.100 -0.004 0.000 0.769 326 G HN 0.149 nan 8.290 nan 0.000 0.507 327 V N 0.380 120.291 119.914 -0.006 0.000 2.604 327 V HA 0.511 4.631 4.120 -0.001 0.000 0.305 327 V C 0.498 176.597 176.094 0.009 0.000 1.043 327 V CA -0.726 61.570 62.300 -0.007 0.000 0.888 327 V CB 1.881 33.689 31.823 -0.025 0.000 0.995 327 V HN 0.672 nan 8.190 nan 0.000 0.429 328 N N 2.251 120.962 118.700 0.017 0.000 2.479 328 N HA 0.037 4.777 4.740 -0.001 0.000 0.257 328 N C 0.862 176.411 175.510 0.065 0.000 1.232 328 N CA -0.263 52.815 53.050 0.046 0.000 0.920 328 N CB 0.600 39.113 38.487 0.044 0.000 1.105 328 N HN 0.711 nan 8.380 nan 0.000 0.444 329 Y N 0.917 121.203 120.300 -0.022 0.000 2.102 329 Y HA -0.286 4.263 4.550 -0.001 0.000 0.280 329 Y C 1.764 177.662 175.900 -0.004 0.000 1.178 329 Y CA 1.953 60.039 58.100 -0.024 0.000 1.146 329 Y CB -0.082 38.358 38.460 -0.034 0.000 0.968 329 Y HN 0.637 nan 8.280 nan 0.000 0.504 330 E N 0.385 120.545 120.200 -0.068 0.000 2.110 330 E HA -0.215 4.135 4.350 -0.001 0.000 0.193 330 E C 2.105 178.624 176.600 -0.135 0.000 0.988 330 E CA 1.563 57.875 56.400 -0.148 0.000 0.804 330 E CB -0.251 29.450 29.700 0.001 0.000 0.745 330 E HN 0.713 nan 8.360 nan 0.000 0.458 331 E N -0.005 120.155 120.200 -0.066 0.000 2.107 331 E HA -0.087 4.262 4.350 -0.001 0.000 0.191 331 E C 2.089 178.687 176.600 -0.002 0.000 0.982 331 E CA 0.302 56.688 56.400 -0.023 0.000 0.809 331 E CB 0.124 29.822 29.700 -0.003 0.000 0.756 331 E HN 0.146 nan 8.360 nan 0.000 0.459 332 I N 1.326 121.867 120.570 -0.048 0.000 2.252 332 I HA -0.231 3.938 4.170 -0.001 0.000 0.245 332 I C 2.430 178.539 176.117 -0.013 0.000 1.102 332 I CA 1.206 62.511 61.300 0.009 0.000 1.385 332 I CB -0.813 37.170 38.000 -0.028 0.000 1.064 332 I HN 0.079 nan 8.210 nan 0.000 0.414 333 K N 1.246 121.499 120.400 -0.244 0.000 2.063 333 K HA -0.256 4.064 4.320 -0.001 0.000 0.208 333 K C 2.077 178.603 176.600 -0.123 0.000 1.048 333 K CA 1.876 57.999 56.287 -0.273 0.000 0.928 333 K CB -0.037 32.137 32.500 -0.543 0.000 0.713 333 K HN 0.274 nan 8.250 nan 0.000 0.442 334 E N -0.386 119.768 120.200 -0.076 0.000 2.047 334 E HA -0.201 4.149 4.350 -0.001 0.000 0.191 334 E C 1.844 178.461 176.600 0.028 0.000 0.987 334 E CA 1.112 57.498 56.400 -0.024 0.000 0.799 334 E CB -0.244 29.454 29.700 -0.003 0.000 0.752 334 E HN 0.380 nan 8.360 nan 0.000 0.449 335 F N 1.366 121.287 119.950 -0.049 0.000 2.091 335 F HA -0.229 4.298 4.527 -0.001 0.000 0.299 335 F C 1.819 177.609 175.800 -0.017 0.000 1.103 335 F CA 1.593 59.587 58.000 -0.010 0.000 1.228 335 F CB -0.313 38.701 39.000 0.024 0.000 0.984 335 F HN 0.016 nan 8.300 nan 0.000 0.477 336 L N 0.202 121.337 121.223 -0.146 0.000 2.083 336 L HA -0.229 4.111 4.340 -0.001 0.000 0.209 336 L C 2.679 179.399 176.870 -0.251 0.000 1.083 336 L CA 1.573 56.259 54.840 -0.256 0.000 0.752 336 L CB -0.964 41.038 42.059 -0.095 0.000 0.899 336 L HN 0.392 nan 8.230 nan 0.000 0.433 337 S N -1.963 113.630 115.700 -0.178 0.000 2.515 337 S HA -0.166 4.303 4.470 -0.001 0.000 0.231 337 S C 1.964 176.465 174.600 -0.165 0.000 0.987 337 S CA 0.649 58.751 58.200 -0.163 0.000 0.936 337 S CB -0.687 62.444 63.200 -0.115 0.000 0.766 337 S HN 0.535 nan 8.310 nan 0.000 0.528 338 c N 1.035 119.520 118.600 -0.191 0.000 2.512 338 c HA 0.446 5.015 4.570 -0.001 0.000 0.276 338 c C 0.997 174.984 174.090 -0.171 0.000 1.368 338 c CA -0.724 55.512 56.329 -0.155 0.000 1.755 338 c CB -1.512 40.925 42.510 -0.123 0.000 2.008 338 c HN 0.615 nan 8.230 nan 0.000 0.511 339 L N 2.340 123.406 121.223 -0.262 0.000 2.490 339 L HA 0.120 4.460 4.340 -0.001 0.000 0.274 339 L C 1.122 177.977 176.870 -0.024 0.000 1.201 339 L CA 0.485 55.218 54.840 -0.177 0.000 0.869 339 L CB 0.354 42.276 42.059 -0.229 0.000 1.123 339 L HN 0.225 nan 8.230 nan 0.000 0.484 340 K N 2.656 123.090 120.400 0.056 0.000 2.373 340 K HA 0.202 4.522 4.320 -0.001 0.000 0.202 340 K C -0.299 176.444 176.600 0.237 0.000 1.025 340 K CA 0.138 56.523 56.287 0.165 0.000 1.115 340 K CB 0.696 33.260 32.500 0.108 0.000 0.858 340 K HN 0.533 nan 8.250 nan 0.000 0.525 341 V N -3.047 116.967 119.914 0.167 0.000 3.074 341 V HA 0.336 4.456 4.120 -0.001 0.000 0.314 341 V C 0.950 177.038 176.094 -0.010 0.000 1.117 341 V CA -0.934 61.392 62.300 0.044 0.000 1.014 341 V CB 1.034 32.868 31.823 0.018 0.000 1.057 341 V HN -0.032 nan 8.190 nan 0.000 0.438 342 Y N 1.645 121.732 120.300 -0.355 0.000 2.207 342 Y HA 0.044 4.593 4.550 -0.001 0.000 0.287 342 Y C 1.469 177.300 175.900 -0.115 0.000 1.156 342 Y CA 2.178 60.114 58.100 -0.273 0.000 1.182 342 Y CB 0.066 38.357 38.460 -0.281 0.000 0.979 342 Y HN 0.855 nan 8.280 nan 0.000 0.521 343 R N -2.545 117.924 120.500 -0.052 0.000 2.765 343 R HA 0.405 4.744 4.340 -0.001 0.000 0.277 343 R C -1.049 175.003 176.300 -0.413 0.000 1.028 343 R CA -0.490 55.489 56.100 -0.203 0.000 0.860 343 R CB 0.590 30.751 30.300 -0.231 0.000 1.270 343 R HN -0.086 nan 8.270 nan 0.000 0.484 344 T N -1.587 112.762 114.554 -0.342 0.000 2.936 344 T HA 0.513 4.863 4.350 -0.001 0.000 0.282 344 T C -0.429 173.961 174.700 -0.516 0.000 1.003 344 T CA -0.591 61.333 62.100 -0.294 0.000 1.005 344 T CB 0.863 69.790 68.868 0.099 0.000 1.097 344 T HN 0.543 nan 8.240 nan 0.000 0.532 345 Y N 0.116 120.476 120.300 0.100 0.000 2.517 345 Y HA 0.389 4.939 4.550 -0.001 0.000 0.330 345 Y C 0.080 175.998 175.900 0.029 0.000 0.917 345 Y CA -1.338 56.809 58.100 0.079 0.000 1.131 345 Y CB -0.017 38.499 38.460 0.092 0.000 1.175 345 Y HN 0.433 nan 8.280 nan 0.000 0.620 346 I N 2.030 122.678 120.570 0.129 0.000 2.710 346 I HA 0.062 4.232 4.170 -0.001 0.000 0.286 346 I C 0.949 177.003 176.117 -0.106 0.000 1.181 346 I CA 0.613 61.904 61.300 -0.016 0.000 1.430 346 I CB 0.503 38.550 38.000 0.078 0.000 1.367 346 I HN 0.445 nan 8.210 nan 0.000 0.577 347 T N 2.354 116.738 114.554 -0.284 0.000 2.831 347 T HA 0.325 4.675 4.350 -0.001 0.000 0.287 347 T C 0.846 175.300 174.700 -0.411 0.000 1.070 347 T CA -0.725 61.215 62.100 -0.267 0.000 1.010 347 T CB 1.861 70.626 68.868 -0.172 0.000 1.264 347 T HN 0.599 nan 8.240 nan 0.000 0.532 348 E N 1.115 121.197 120.200 -0.197 0.000 2.472 348 E HA -0.091 4.258 4.350 -0.001 0.000 0.200 348 E C 0.476 177.046 176.600 -0.051 0.000 1.046 348 E CA 0.866 57.225 56.400 -0.069 0.000 0.871 348 E CB -0.509 29.217 29.700 0.043 0.000 0.806 348 E HN 0.767 nan 8.360 nan 0.000 0.533 349 N N 0.201 118.791 118.700 -0.183 0.000 2.390 349 N HA 0.066 4.806 4.740 -0.001 0.000 0.259 349 N C -1.223 174.196 175.510 -0.151 0.000 1.395 349 N CA -0.387 52.624 53.050 -0.065 0.000 0.852 349 N CB 0.401 38.894 38.487 0.010 0.000 1.371 349 N HN -0.080 nan 8.380 nan 0.000 0.491 350 D N 0.195 120.313 120.400 -0.470 0.000 2.375 350 D HA 0.281 4.921 4.640 -0.001 0.000 0.241 350 D C -1.256 174.743 176.300 -0.502 0.000 1.361 350 D CA -0.418 53.402 54.000 -0.299 0.000 0.995 350 D CB 0.174 40.890 40.800 -0.139 0.000 1.312 350 D HN 0.046 nan 8.370 nan 0.000 0.576 351 F N 2.038 122.013 119.950 0.040 0.000 2.772 351 F HA 0.349 4.875 4.527 -0.001 0.000 0.302 351 F C 2.105 177.936 175.800 0.052 0.000 1.136 351 F CA -0.454 57.569 58.000 0.039 0.000 1.322 351 F CB 0.396 39.410 39.000 0.023 0.000 0.967 351 F HN 0.149 nan 8.300 nan 0.000 0.513 352 R N 0.361 120.945 120.500 0.140 0.000 2.117 352 R HA -0.162 4.178 4.340 -0.001 0.000 0.243 352 R C 0.795 177.162 176.300 0.112 0.000 1.143 352 R CA 1.567 57.732 56.100 0.109 0.000 0.968 352 R CB -0.178 30.162 30.300 0.068 0.000 0.863 352 R HN 0.204 nan 8.270 nan 0.000 0.444 353 D N 0.098 120.573 120.400 0.125 0.000 2.336 353 D HA -0.079 4.560 4.640 -0.001 0.000 0.229 353 D C 1.434 177.821 176.300 0.145 0.000 1.061 353 D CA 0.456 54.532 54.000 0.128 0.000 0.875 353 D CB 0.066 40.949 40.800 0.138 0.000 0.904 353 D HN 0.507 nan 8.370 nan 0.000 0.525 354 E N 0.822 121.124 120.200 0.171 0.000 2.204 354 E HA -0.168 4.181 4.350 -0.001 0.000 0.194 354 E C 1.119 177.788 176.600 0.114 0.000 0.989 354 E CA 0.832 57.357 56.400 0.210 0.000 0.824 354 E CB 0.029 29.928 29.700 0.331 0.000 0.756 354 E HN 0.043 nan 8.360 nan 0.000 0.477 355 E N 0.994 121.226 120.200 0.055 0.000 2.158 355 E HA -0.023 4.327 4.350 -0.001 0.000 0.191 355 E C 2.216 178.835 176.600 0.032 0.000 0.982 355 E CA 0.482 56.877 56.400 -0.009 0.000 0.823 355 E CB -0.134 29.558 29.700 -0.014 0.000 0.766 355 E HN 0.442 nan 8.360 nan 0.000 0.468 356 I N 0.952 121.566 120.570 0.074 0.000 2.163 356 I HA -0.290 3.879 4.170 -0.001 0.000 0.243 356 I C 2.343 178.555 176.117 0.158 0.000 1.085 356 I CA 1.112 62.468 61.300 0.094 0.000 1.347 356 I CB -0.303 37.755 38.000 0.097 0.000 1.044 356 I HN 0.031 nan 8.210 nan 0.000 0.408 357 I N 0.126 120.833 120.570 0.229 0.000 2.142 357 I HA -0.294 3.876 4.170 -0.001 0.000 0.240 357 I C 2.789 179.087 176.117 0.301 0.000 1.078 357 I CA 1.354 62.891 61.300 0.395 0.000 1.343 357 I CB -0.445 37.716 38.000 0.268 0.000 1.046 357 I HN 0.128 nan 8.210 nan 0.000 0.405 358 R N 1.010 121.576 120.500 0.110 0.000 2.091 358 R HA -0.202 4.138 4.340 -0.001 0.000 0.238 358 R C 2.121 178.430 176.300 0.015 0.000 1.136 358 R CA 1.802 57.877 56.100 -0.043 0.000 0.959 358 R CB -0.196 29.880 30.300 -0.374 0.000 0.856 358 R HN 0.338 nan 8.270 nan 0.000 0.437 359 N N -0.157 118.562 118.700 0.032 0.000 2.272 359 N HA -0.160 4.580 4.740 -0.001 0.000 0.185 359 N C 1.529 177.083 175.510 0.073 0.000 1.014 359 N CA 1.255 54.326 53.050 0.035 0.000 0.870 359 N CB -0.351 38.152 38.487 0.027 0.000 0.975 359 N HN 0.313 nan 8.380 nan 0.000 0.433 360 c N -1.343 117.347 118.600 0.149 0.000 2.519 360 c HA 0.260 4.830 4.570 -0.001 0.000 0.281 360 c C 1.152 175.394 174.090 0.253 0.000 1.331 360 c CA -0.118 56.324 56.329 0.187 0.000 1.725 360 c CB -0.272 42.335 42.510 0.161 0.000 2.079 360 c HN 0.341 nan 8.230 nan 0.000 0.496 361 S N -1.051 114.816 115.700 0.279 0.000 2.605 361 S HA 0.257 4.727 4.470 -0.001 0.000 0.279 361 S C -0.064 174.592 174.600 0.094 0.000 1.166 361 S CA -0.355 57.944 58.200 0.165 0.000 0.975 361 S CB 1.001 64.303 63.200 0.170 0.000 1.111 361 S HN 0.268 nan 8.310 nan 0.000 0.465 362 Q N 4.068 123.905 119.800 0.061 0.000 2.061 362 Q HA -0.017 4.322 4.340 -0.001 0.000 0.204 362 Q C 1.514 177.574 176.000 0.100 0.000 0.984 362 Q CA 1.972 57.815 55.803 0.066 0.000 0.846 362 Q CB -0.007 28.750 28.738 0.031 0.000 0.902 362 Q HN 0.651 nan 8.270 nan 0.000 0.421 363 K N -0.477 119.947 120.400 0.040 0.000 2.097 363 K HA -0.061 4.258 4.320 -0.001 0.000 0.206 363 K C 2.114 178.686 176.600 -0.047 0.000 1.049 363 K CA 1.289 57.578 56.287 0.004 0.000 0.933 363 K CB -0.531 31.965 32.500 -0.006 0.000 0.717 363 K HN 0.178 nan 8.250 nan 0.000 0.442 364 V N 0.926 120.780 119.914 -0.099 0.000 2.358 364 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 364 V C 2.260 178.216 176.094 -0.230 0.000 1.047 364 V CA 1.728 63.879 62.300 -0.248 0.000 1.035 364 V CB -0.692 30.738 31.823 -0.655 0.000 0.658 364 V HN 0.231 nan 8.190 nan 0.000 0.452 365 Y N 1.587 121.733 120.300 -0.256 0.000 2.114 365 Y HA -0.298 4.251 4.550 -0.001 0.000 0.282 365 Y C 2.480 178.259 175.900 -0.201 0.000 1.165 365 Y CA 2.305 60.262 58.100 -0.239 0.000 1.148 365 Y CB -0.338 38.041 38.460 -0.134 0.000 0.972 365 Y HN 0.361 nan 8.280 nan 0.000 0.504 366 E N -0.129 119.921 120.200 -0.250 0.000 2.077 366 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 366 E C 2.407 178.846 176.600 -0.269 0.000 0.989 366 E CA 1.720 57.937 56.400 -0.306 0.000 0.800 366 E CB -0.286 29.366 29.700 -0.080 0.000 0.746 366 E HN 0.656 nan 8.360 nan 0.000 0.452 367 S N 0.973 116.560 115.700 -0.188 0.000 2.383 367 S HA -0.166 4.304 4.470 -0.001 0.000 0.227 367 S C 2.046 176.567 174.600 -0.131 0.000 1.026 367 S CA 0.833 58.959 58.200 -0.124 0.000 0.981 367 S CB -0.125 63.033 63.200 -0.070 0.000 0.818 367 S HN 0.163 nan 8.310 nan 0.000 0.472 368 M N 1.668 121.121 119.600 -0.245 0.000 2.086 368 M HA -0.071 4.409 4.480 -0.001 0.000 0.261 368 M C 1.613 177.787 176.300 -0.210 0.000 1.067 368 M CA 1.725 56.852 55.300 -0.289 0.000 1.116 368 M CB -0.738 31.378 32.600 -0.807 0.000 1.348 368 M HN 0.204 nan 8.290 nan 0.000 0.407 369 K N 0.591 120.778 120.400 -0.355 0.000 2.147 369 K HA -0.120 4.200 4.320 -0.001 0.000 0.205 369 K C 1.920 178.412 176.600 -0.182 0.000 1.049 369 K CA 1.239 57.327 56.287 -0.332 0.000 0.936 369 K CB -0.387 31.810 32.500 -0.505 0.000 0.722 369 K HN 0.520 nan 8.250 nan 0.000 0.446 370 K N 0.164 120.476 120.400 -0.146 0.000 2.186 370 K HA -0.014 4.306 4.320 -0.001 0.000 0.202 370 K C 0.715 177.304 176.600 -0.020 0.000 1.052 370 K CA 0.392 56.633 56.287 -0.077 0.000 0.965 370 K CB 0.151 32.607 32.500 -0.073 0.000 0.746 370 K HN -0.046 nan 8.250 nan 0.000 0.457 371 N N 0.585 119.287 118.700 0.003 0.000 2.750 371 N HA 0.014 4.754 4.740 -0.001 0.000 0.253 371 N C 0.463 176.043 175.510 0.117 0.000 1.408 371 N CA -0.112 52.974 53.050 0.060 0.000 0.780 371 N CB 1.155 39.677 38.487 0.058 0.000 1.191 371 N HN -0.102 nan 8.380 nan 0.000 0.511 372 V N 0.049 120.043 119.914 0.133 0.000 2.343 372 V HA -0.113 4.006 4.120 -0.001 0.000 0.247 372 V C 1.842 178.066 176.094 0.217 0.000 1.051 372 V CA 1.876 64.290 62.300 0.189 0.000 1.036 372 V CB -1.149 30.806 31.823 0.220 0.000 0.654 372 V HN 0.357 nan 8.190 nan 0.000 0.451 373 T N 1.144 115.826 114.554 0.212 0.000 2.708 373 T HA -0.071 4.279 4.350 -0.001 0.000 0.266 373 T C 2.209 177.088 174.700 0.300 0.000 1.037 373 T CA 2.134 64.410 62.100 0.293 0.000 1.146 373 T CB -0.661 68.366 68.868 0.264 0.000 0.865 373 T HN 0.782 nan 8.240 nan 0.000 0.435 374 A N 0.825 123.773 122.820 0.213 0.000 1.908 374 A HA -0.072 4.248 4.320 -0.001 0.000 0.218 374 A C 2.028 179.722 177.584 0.182 0.000 1.181 374 A CA 1.469 53.608 52.037 0.171 0.000 0.627 374 A CB -0.998 18.072 19.000 0.115 0.000 0.818 374 A HN 0.501 nan 8.150 nan 0.000 0.445 375 F N -0.046 119.952 119.950 0.080 0.000 2.186 375 F HA -0.093 4.434 4.527 -0.001 0.000 0.299 375 F C 2.288 178.137 175.800 0.083 0.000 1.090 375 F CA 1.761 59.798 58.000 0.062 0.000 1.307 375 F CB -0.207 38.813 39.000 0.033 0.000 1.019 375 F HN 0.136 nan 8.300 nan 0.000 0.489 376 M N -0.122 119.598 119.600 0.198 0.000 2.213 376 M HA -0.228 4.251 4.480 -0.001 0.000 0.263 376 M C 2.016 178.386 176.300 0.116 0.000 1.062 376 M CA 1.640 56.954 55.300 0.024 0.000 1.105 376 M CB -0.345 32.109 32.600 -0.243 0.000 1.385 376 M HN 0.014 nan 8.290 nan 0.000 0.417 377 K N 0.228 120.804 120.400 0.294 0.000 2.026 377 K HA -0.161 4.158 4.320 -0.001 0.000 0.208 377 K C 1.885 178.627 176.600 0.236 0.000 1.048 377 K CA 1.135 57.614 56.287 0.322 0.000 0.929 377 K CB -0.400 32.267 32.500 0.279 0.000 0.713 377 K HN 0.154 nan 8.250 nan 0.000 0.439 378 L N 2.082 123.328 121.223 0.038 0.000 2.081 378 L HA -0.247 4.093 4.340 -0.001 0.000 0.212 378 L C 2.120 178.949 176.870 -0.067 0.000 1.080 378 L CA 1.728 56.532 54.840 -0.061 0.000 0.754 378 L CB -0.352 41.487 42.059 -0.367 0.000 0.893 378 L HN 0.191 nan 8.230 nan 0.000 0.433 379 Q N -1.118 118.571 119.800 -0.185 0.000 2.181 379 Q HA -0.267 4.073 4.340 -0.001 0.000 0.205 379 Q C 2.126 178.086 176.000 -0.067 0.000 0.980 379 Q CA 1.813 57.529 55.803 -0.145 0.000 0.862 379 Q CB -0.161 28.500 28.738 -0.129 0.000 0.905 379 Q HN 0.678 nan 8.270 nan 0.000 0.429 380 Q N -0.984 118.794 119.800 -0.036 0.000 2.291 380 Q HA -0.137 4.202 4.340 -0.001 0.000 0.205 380 Q C 0.832 176.657 176.000 -0.292 0.000 0.970 380 Q CA 0.975 56.693 55.803 -0.142 0.000 0.876 380 Q CB 0.190 28.820 28.738 -0.179 0.000 0.935 380 Q HN 0.522 nan 8.270 nan 0.000 0.455 381 Y N -1.021 119.238 120.300 -0.068 0.000 2.497 381 Y HA 0.117 4.666 4.550 -0.001 0.000 0.265 381 Y C 1.944 177.705 175.900 -0.232 0.000 1.111 381 Y CA 0.019 58.001 58.100 -0.197 0.000 1.288 381 Y CB 0.118 38.427 38.460 -0.252 0.000 1.082 381 Y HN 0.033 nan 8.280 nan 0.000 0.536 382 M N 0.621 120.203 119.600 -0.029 0.000 2.082 382 M HA -0.181 4.299 4.480 -0.001 0.000 0.258 382 M C -0.651 175.613 176.300 -0.061 0.000 1.069 382 M CA 2.122 57.383 55.300 -0.065 0.000 1.102 382 M CB -1.405 31.153 32.600 -0.070 0.000 1.336 382 M HN 0.073 nan 8.290 nan 0.000 0.404 383 P HA -0.043 nan 4.420 nan 0.000 0.219 383 P C 0.999 178.248 177.300 -0.085 0.000 1.150 383 P CA 1.825 65.005 63.100 0.134 0.000 0.814 383 P CB -0.221 31.734 31.700 0.425 0.000 0.787 384 A N -0.002 122.648 122.820 -0.284 0.000 1.902 384 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 384 A C 2.415 179.666 177.584 -0.554 0.000 1.181 384 A CA 1.729 53.230 52.037 -0.893 0.000 0.623 384 A CB -1.664 16.840 19.000 -0.827 0.000 0.818 384 A HN 0.037 nan 8.150 nan 0.000 0.443 385 V N -1.337 118.369 119.914 -0.347 0.000 2.261 385 V HA -0.244 3.876 4.120 -0.001 0.000 0.246 385 V C 2.262 178.264 176.094 -0.154 0.000 1.047 385 V CA 2.227 64.437 62.300 -0.149 0.000 1.015 385 V CB -0.960 30.784 31.823 -0.131 0.000 0.642 385 V HN 0.563 nan 8.190 nan 0.000 0.446 386 F N 1.035 120.771 119.950 -0.356 0.000 2.069 386 F HA -0.192 4.335 4.527 -0.001 0.000 0.298 386 F C 2.336 177.925 175.800 -0.351 0.000 1.113 386 F CA 1.537 59.253 58.000 -0.472 0.000 1.214 386 F CB -0.764 37.632 39.000 -1.008 0.000 0.978 386 F HN 0.076 nan 8.300 nan 0.000 0.474 387 A N -0.181 122.597 122.820 -0.070 0.000 1.877 387 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 387 A C 2.244 179.831 177.584 0.005 0.000 1.186 387 A CA 1.562 53.629 52.037 0.050 0.000 0.620 387 A CB -0.506 18.508 19.000 0.022 0.000 0.822 387 A HN 0.207 nan 8.150 nan 0.000 0.443 388 K N -0.022 120.292 120.400 -0.143 0.000 2.097 388 K HA 0.059 4.379 4.320 -0.001 0.000 0.205 388 K C 2.161 178.776 176.600 0.026 0.000 1.050 388 K CA 1.365 57.633 56.287 -0.031 0.000 0.938 388 K CB -0.806 31.687 32.500 -0.012 0.000 0.718 388 K HN 0.458 nan 8.250 nan 0.000 0.442 389 A N -0.396 122.420 122.820 -0.007 0.000 1.878 389 A HA -0.083 4.236 4.320 -0.001 0.000 0.213 389 A C 2.188 179.757 177.584 -0.025 0.000 1.192 389 A CA 0.879 52.895 52.037 -0.034 0.000 0.619 389 A CB -0.623 18.317 19.000 -0.100 0.000 0.837 389 A HN 0.261 nan 8.150 nan 0.000 0.446 390 Y N 0.269 120.499 120.300 -0.117 0.000 2.163 390 Y HA -0.061 4.489 4.550 -0.001 0.000 0.288 390 Y C 2.539 178.475 175.900 0.060 0.000 1.112 390 Y CA 1.886 59.949 58.100 -0.062 0.000 1.104 390 Y CB -0.077 38.329 38.460 -0.091 0.000 1.016 390 Y HN 0.378 nan 8.280 nan 0.000 0.497 391 E N -0.306 120.121 120.200 0.377 0.000 2.085 391 E HA -0.214 4.136 4.350 -0.001 0.000 0.194 391 E C 0.816 177.561 176.600 0.241 0.000 0.994 391 E CA 1.539 58.104 56.400 0.275 0.000 0.801 391 E CB -0.072 29.783 29.700 0.259 0.000 0.743 391 E HN 0.484 nan 8.360 nan 0.000 0.453 392 D N -1.374 119.182 120.400 0.261 0.000 2.363 392 D HA 0.080 4.720 4.640 -0.001 0.000 0.214 392 D C 0.653 177.165 176.300 0.353 0.000 1.093 392 D CA 0.369 54.583 54.000 0.356 0.000 0.837 392 D CB 0.887 41.831 40.800 0.240 0.000 0.948 392 D HN 0.045 nan 8.370 nan 0.000 0.507 393 T N -1.532 113.177 114.554 0.258 0.000 3.467 393 T HA 0.040 4.389 4.350 -0.001 0.000 0.258 393 T C 1.981 176.762 174.700 0.136 0.000 0.999 393 T CA -0.066 62.152 62.100 0.195 0.000 1.148 393 T CB 0.033 68.944 68.868 0.072 0.000 1.186 393 T HN -0.176 nan 8.240 nan 0.000 0.401 394 V N 2.781 122.668 119.914 -0.044 0.000 2.324 394 V HA -0.115 4.005 4.120 -0.001 0.000 0.250 394 V C 2.433 178.455 176.094 -0.120 0.000 1.060 394 V CA 1.684 63.873 62.300 -0.187 0.000 1.042 394 V CB -0.846 30.627 31.823 -0.583 0.000 0.650 394 V HN 0.405 nan 8.190 nan 0.000 0.450 395 L N -1.508 119.635 121.223 -0.132 0.000 2.450 395 L HA -0.099 4.241 4.340 -0.001 0.000 0.224 395 L C 1.771 178.464 176.870 -0.296 0.000 1.149 395 L CA 1.260 55.982 54.840 -0.197 0.000 0.816 395 L CB -0.387 41.506 42.059 -0.277 0.000 0.932 395 L HN 0.333 nan 8.230 nan 0.000 0.449 396 F N -1.456 118.542 119.950 0.079 0.000 2.678 396 F HA 0.194 4.720 4.527 -0.001 0.000 0.305 396 F C 1.665 177.529 175.800 0.107 0.000 1.090 396 F CA 0.134 58.194 58.000 0.100 0.000 1.272 396 F CB 0.127 39.173 39.000 0.077 0.000 1.060 396 F HN -0.077 nan 8.300 nan 0.000 0.576 397 I N -2.123 118.579 120.570 0.220 0.000 3.366 397 I HA -0.023 4.147 4.170 -0.001 0.000 0.267 397 I C 0.095 176.364 176.117 0.253 0.000 1.149 397 I CA 0.042 61.467 61.300 0.208 0.000 1.436 397 I CB 0.064 38.151 38.000 0.145 0.000 1.379 397 I HN -0.194 nan 8.210 nan 0.000 0.460 398 Y N 4.084 124.435 120.300 0.085 0.000 2.620 398 Y HA 0.173 4.723 4.550 -0.001 0.000 0.352 398 Y C 0.604 176.482 175.900 -0.036 0.000 1.140 398 Y CA -0.301 57.850 58.100 0.086 0.000 1.529 398 Y CB -0.331 38.138 38.460 0.016 0.000 1.321 398 Y HN 0.127 nan 8.280 nan 0.000 0.501 399 N N 4.856 123.323 118.700 -0.390 0.000 2.295 399 N HA 0.031 4.770 4.740 -0.001 0.000 0.221 399 N C 1.763 176.805 175.510 -0.781 0.000 1.129 399 N CA 0.063 52.898 53.050 -0.357 0.000 0.836 399 N CB -0.038 38.540 38.487 0.151 0.000 1.040 399 N HN 0.691 nan 8.380 nan 0.000 0.494 400 R N 0.438 120.088 120.500 -1.416 0.000 2.112 400 R HA -0.086 4.254 4.340 -0.001 0.000 0.242 400 R C -0.194 176.038 176.300 -0.113 0.000 1.137 400 R CA 1.311 56.924 56.100 -0.813 0.000 0.944 400 R CB 0.056 30.049 30.300 -0.512 0.000 0.857 400 R HN 0.135 nan 8.270 nan 0.000 0.435 401 L N 0.837 122.017 121.223 -0.071 0.000 2.620 401 L HA 0.225 4.565 4.340 -0.001 0.000 0.261 401 L C 0.275 177.125 176.870 -0.033 0.000 0.978 401 L CA -0.337 54.489 54.840 -0.023 0.000 0.897 401 L CB 1.692 43.776 42.059 0.042 0.000 1.207 401 L HN 0.297 nan 8.230 nan 0.000 0.425 402 I N 0.517 121.063 120.570 -0.040 0.000 3.291 402 I HA 0.020 4.190 4.170 -0.001 0.000 0.279 402 I C 1.561 177.715 176.117 0.061 0.000 1.294 402 I CA 1.173 62.505 61.300 0.053 0.000 1.428 402 I CB -0.002 38.078 38.000 0.132 0.000 1.070 402 I HN 0.686 nan 8.210 nan 0.000 0.478 403 S N 2.061 117.713 115.700 -0.079 0.000 2.440 403 S HA -0.082 4.387 4.470 -0.001 0.000 0.238 403 S C 1.760 176.380 174.600 0.034 0.000 1.010 403 S CA 1.001 59.161 58.200 -0.068 0.000 0.972 403 S CB -0.834 62.292 63.200 -0.123 0.000 0.774 403 S HN 0.641 nan 8.310 nan 0.000 0.501 404 L N 0.665 121.904 121.223 0.027 0.000 2.591 404 L HA 0.255 4.594 4.340 -0.001 0.000 0.228 404 L C -0.049 176.891 176.870 0.116 0.000 1.133 404 L CA -0.038 54.832 54.840 0.050 0.000 0.880 404 L CB -0.500 41.570 42.059 0.019 0.000 1.033 404 L HN 0.150 nan 8.230 nan 0.000 0.450 405 N N 1.091 119.884 118.700 0.154 0.000 3.229 405 N HA 0.201 4.941 4.740 -0.001 0.000 0.275 405 N C -0.458 175.106 175.510 0.089 0.000 1.225 405 N CA 0.066 53.192 53.050 0.127 0.000 1.119 405 N CB 0.277 38.824 38.487 0.100 0.000 1.392 405 N HN 0.069 nan 8.380 nan 0.000 0.520 406 E N -0.343 119.918 120.200 0.101 0.000 2.369 406 E HA 0.405 4.755 4.350 -0.001 0.000 0.270 406 E C -0.837 175.803 176.600 0.067 0.000 0.909 406 E CA -0.891 55.558 56.400 0.081 0.000 0.775 406 E CB 1.515 31.294 29.700 0.132 0.000 1.270 406 E HN -0.065 nan 8.360 nan 0.000 0.445 407 V N 3.201 123.129 119.914 0.023 0.000 2.557 407 V HA 0.303 4.423 4.120 -0.001 0.000 0.301 407 V C 1.513 177.551 176.094 -0.094 0.000 1.026 407 V CA 1.850 64.098 62.300 -0.087 0.000 1.137 407 V CB 0.283 31.934 31.823 -0.287 0.000 0.917 407 V HN 0.970 nan 8.190 nan 0.000 0.484 408 G N 3.626 112.350 108.800 -0.127 0.000 2.175 408 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.244 408 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.244 408 G C 0.408 175.285 174.900 -0.040 0.000 0.982 408 G CA 0.232 45.274 45.100 -0.097 0.000 0.641 408 G HN 1.010 nan 8.290 nan 0.000 0.527 409 S N 0.283 115.992 115.700 0.016 0.000 2.562 409 S HA 0.509 4.979 4.470 -0.001 0.000 0.275 409 S C -0.644 173.988 174.600 0.053 0.000 1.281 409 S CA 0.097 58.322 58.200 0.042 0.000 1.045 409 S CB 1.437 64.702 63.200 0.108 0.000 0.962 409 S HN 0.365 nan 8.310 nan 0.000 0.503 410 D N 4.050 124.491 120.400 0.068 0.000 2.414 410 D HA 0.237 4.876 4.640 -0.001 0.000 0.232 410 D C 0.866 177.321 176.300 0.260 0.000 1.070 410 D CA -0.438 53.655 54.000 0.155 0.000 0.839 410 D CB 0.733 41.650 40.800 0.196 0.000 1.079 410 D HN 0.562 nan 8.370 nan 0.000 0.521 411 L N 3.408 124.773 121.223 0.236 0.000 2.633 411 L HA -0.085 4.255 4.340 -0.001 0.000 0.235 411 L C 1.718 178.608 176.870 0.033 0.000 1.163 411 L CA 0.375 55.286 54.840 0.118 0.000 0.859 411 L CB -0.277 41.782 42.059 -0.000 0.000 0.973 411 L HN 0.489 nan 8.230 nan 0.000 0.451 412 H N -1.110 118.031 119.070 0.119 0.000 2.457 412 H HA -0.019 4.537 4.556 -0.001 0.000 0.294 412 H C 0.056 175.319 175.328 -0.108 0.000 1.064 412 H CA 0.592 56.621 56.048 -0.031 0.000 1.330 412 H CB -0.113 29.583 29.762 -0.110 0.000 1.395 412 H HN 0.216 nan 8.280 nan 0.000 0.541 413 Y N -0.150 120.255 120.300 0.174 0.000 2.350 413 Y HA 0.030 4.580 4.550 -0.001 0.000 0.340 413 Y C 0.879 176.866 175.900 0.145 0.000 1.006 413 Y CA -0.402 57.769 58.100 0.118 0.000 1.166 413 Y CB 0.654 39.123 38.460 0.014 0.000 1.168 413 Y HN 0.010 nan 8.280 nan 0.000 0.502 414 Y N 1.605 121.994 120.300 0.148 0.000 2.500 414 Y HA 0.171 4.720 4.550 -0.001 0.000 0.284 414 Y C 0.515 176.470 175.900 0.093 0.000 1.118 414 Y CA 0.624 58.793 58.100 0.116 0.000 1.241 414 Y CB 0.725 39.242 38.460 0.094 0.000 1.171 414 Y HN 0.520 nan 8.280 nan 0.000 0.540 415 S N 0.407 116.242 115.700 0.224 0.000 2.607 415 S HA 0.632 5.102 4.470 -0.001 0.000 0.273 415 S C -1.079 173.591 174.600 0.116 0.000 1.148 415 S CA -0.586 57.681 58.200 0.112 0.000 0.833 415 S CB 1.784 65.092 63.200 0.179 0.000 1.130 415 S HN 0.368 nan 8.310 nan 0.000 0.470 416 I N -0.737 119.857 120.570 0.041 0.000 2.934 416 I HA 0.797 4.967 4.170 -0.001 0.000 0.306 416 I C -0.110 176.022 176.117 0.024 0.000 1.110 416 I CA -0.967 60.364 61.300 0.052 0.000 1.019 416 I CB 2.247 40.261 38.000 0.023 0.000 1.227 416 I HN 0.828 nan 8.210 nan 0.000 0.434 417 S N 2.338 118.069 115.700 0.053 0.000 2.593 417 S HA 0.084 4.554 4.470 -0.001 0.000 0.269 417 S C 1.084 175.695 174.600 0.018 0.000 1.334 417 S CA -0.156 58.065 58.200 0.035 0.000 1.015 417 S CB 1.382 64.620 63.200 0.063 0.000 0.912 417 S HN 1.009 nan 8.310 nan 0.000 0.541 418 c N 1.255 119.839 118.600 -0.027 0.000 2.413 418 c HA -0.114 4.456 4.570 -0.001 0.000 0.277 418 c C 2.060 176.100 174.090 -0.083 0.000 1.265 418 c CA 1.627 57.900 56.329 -0.094 0.000 1.752 418 c CB -1.799 40.656 42.510 -0.091 0.000 1.998 418 c HN 0.940 nan 8.230 nan 0.000 0.489 419 D N 0.257 120.712 120.400 0.090 0.000 2.144 419 D HA -0.140 4.500 4.640 -0.001 0.000 0.199 419 D C 2.199 178.616 176.300 0.195 0.000 0.984 419 D CA 1.292 55.421 54.000 0.216 0.000 0.834 419 D CB -0.474 40.440 40.800 0.190 0.000 0.955 419 D HN 0.666 nan 8.370 nan 0.000 0.465 420 K N -0.449 120.049 120.400 0.163 0.000 2.097 420 K HA -0.124 4.196 4.320 -0.001 0.000 0.205 420 K C 2.014 178.768 176.600 0.256 0.000 1.050 420 K CA 0.519 56.923 56.287 0.195 0.000 0.938 420 K CB -0.227 32.379 32.500 0.176 0.000 0.718 420 K HN 0.017 nan 8.250 nan 0.000 0.442 421 F N 1.424 121.412 119.950 0.064 0.000 2.134 421 F HA -0.182 4.344 4.527 -0.001 0.000 0.299 421 F C 1.711 177.573 175.800 0.104 0.000 1.097 421 F CA 1.934 59.969 58.000 0.059 0.000 1.264 421 F CB -0.303 38.650 39.000 -0.078 0.000 1.001 421 F HN 0.191 nan 8.300 nan 0.000 0.479 422 H N -0.471 118.710 119.070 0.186 0.000 2.387 422 H HA -0.142 4.414 4.556 -0.001 0.000 0.299 422 H C 2.123 177.439 175.328 -0.019 0.000 1.090 422 H CA 1.529 57.662 56.048 0.142 0.000 1.332 422 H CB -0.125 29.808 29.762 0.285 0.000 1.386 422 H HN 0.396 nan 8.280 nan 0.000 0.516 423 E N 0.222 120.507 120.200 0.142 0.000 2.077 423 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 423 E C 1.801 178.359 176.600 -0.071 0.000 0.989 423 E CA 0.947 57.378 56.400 0.052 0.000 0.800 423 E CB -0.152 29.607 29.700 0.097 0.000 0.746 423 E HN 0.367 nan 8.360 nan 0.000 0.452 424 F N 2.241 122.012 119.950 -0.298 0.000 2.046 424 F HA -0.238 4.288 4.527 -0.001 0.000 0.297 424 F C 1.788 177.245 175.800 -0.571 0.000 1.123 424 F CA 1.934 59.612 58.000 -0.536 0.000 1.199 424 F CB -0.420 38.035 39.000 -0.909 0.000 0.972 424 F HN -0.081 nan 8.300 nan 0.000 0.474 425 N N 0.134 118.355 118.700 -0.800 0.000 2.166 425 N HA -0.191 4.549 4.740 -0.001 0.000 0.186 425 N C 1.986 176.931 175.510 -0.941 0.000 1.019 425 N CA 1.213 53.609 53.050 -1.090 0.000 0.856 425 N CB -0.232 37.317 38.487 -1.564 0.000 0.993 425 N HN 0.309 nan 8.380 nan 0.000 0.426 426 L N 1.220 122.071 121.223 -0.620 0.000 2.042 426 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 426 L C 1.972 178.666 176.870 -0.293 0.000 1.076 426 L CA 1.336 55.986 54.840 -0.316 0.000 0.749 426 L CB -0.205 41.800 42.059 -0.090 0.000 0.893 426 L HN 0.135 nan 8.230 nan 0.000 0.432 427 K N -0.414 119.791 120.400 -0.325 0.000 2.439 427 K HA -0.065 4.255 4.320 -0.001 0.000 0.197 427 K C 1.794 178.194 176.600 -0.333 0.000 1.041 427 K CA 0.600 56.719 56.287 -0.280 0.000 0.970 427 K CB 0.056 32.407 32.500 -0.248 0.000 0.773 427 K HN 0.305 nan 8.250 nan 0.000 0.479 428 R N 0.514 120.740 120.500 -0.457 0.000 2.334 428 R HA 0.104 4.444 4.340 -0.001 0.000 0.216 428 R C 0.026 176.139 176.300 -0.312 0.000 0.905 428 R CA -0.164 55.674 56.100 -0.436 0.000 1.064 428 R CB 0.471 30.395 30.300 -0.626 0.000 1.046 428 R HN -0.104 nan 8.270 nan 0.000 0.508 429 V N 1.277 121.025 119.914 -0.277 0.000 2.557 429 V HA 0.030 4.149 4.120 -0.001 0.000 0.301 429 V C 1.433 177.440 176.094 -0.145 0.000 1.026 429 V CA 1.627 63.812 62.300 -0.193 0.000 1.137 429 V CB 0.683 32.414 31.823 -0.153 0.000 0.917 429 V HN 0.760 nan 8.190 nan 0.000 0.484 430 G N 3.409 112.140 108.800 -0.115 0.000 2.195 430 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.246 430 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.246 430 G C 0.475 175.334 174.900 -0.068 0.000 0.984 430 G CA 0.243 45.294 45.100 -0.081 0.000 0.633 430 G HN 0.917 nan 8.290 nan 0.000 0.525 431 T N 0.294 114.792 114.554 -0.093 0.000 2.913 431 T HA 0.559 4.909 4.350 -0.001 0.000 0.297 431 T C 1.601 176.290 174.700 -0.019 0.000 1.029 431 T CA -0.059 62.000 62.100 -0.069 0.000 1.104 431 T CB 0.608 69.412 68.868 -0.108 0.000 0.964 431 T HN 0.282 nan 8.240 nan 0.000 0.532 432 L N 2.919 124.165 121.223 0.038 0.000 2.640 432 L HA 0.256 4.596 4.340 -0.001 0.000 0.230 432 L C 1.445 178.499 176.870 0.308 0.000 1.123 432 L CA -0.210 54.708 54.840 0.129 0.000 0.900 432 L CB 0.168 42.305 42.059 0.130 0.000 1.146 432 L HN 0.520 nan 8.230 nan 0.000 0.484 433 S N 0.301 116.128 115.700 0.213 0.000 2.563 433 S HA 0.114 4.584 4.470 -0.001 0.000 0.284 433 S C 0.089 174.817 174.600 0.213 0.000 1.331 433 S CA -0.504 57.840 58.200 0.240 0.000 1.047 433 S CB 0.213 63.466 63.200 0.089 0.000 0.859 433 S HN -0.006 nan 8.310 nan 0.000 0.514 434 F N 3.367 123.226 119.950 -0.152 0.000 2.518 434 F HA 0.232 4.759 4.527 -0.001 0.000 0.359 434 F C 1.060 176.710 175.800 -0.249 0.000 1.118 434 F CA -0.922 56.910 58.000 -0.279 0.000 1.287 434 F CB 0.085 38.886 39.000 -0.331 0.000 1.132 434 F HN 0.452 nan 8.300 nan 0.000 0.587 435 N N 2.494 121.023 118.700 -0.286 0.000 2.558 435 N HA 0.419 5.158 4.740 -0.001 0.000 0.233 435 N C -0.393 174.852 175.510 -0.441 0.000 1.038 435 N CA -0.228 52.398 53.050 -0.706 0.000 0.934 435 N CB 1.110 38.782 38.487 -1.358 0.000 1.175 435 N HN 0.560 nan 8.380 nan 0.000 0.512 436 A N 0.780 123.551 122.820 -0.081 0.000 2.303 436 A HA 0.613 4.933 4.320 -0.001 0.000 0.317 436 A C 1.038 178.662 177.584 0.067 0.000 1.149 436 A CA -0.405 51.589 52.037 -0.071 0.000 0.822 436 A CB 0.626 19.552 19.000 -0.124 0.000 1.131 436 A HN 0.572 nan 8.150 nan 0.000 0.493 437 T N -2.424 112.118 114.554 -0.021 0.000 3.010 437 T HA 0.341 4.691 4.350 -0.001 0.000 0.253 437 T C 0.389 175.093 174.700 0.007 0.000 0.939 437 T CA 0.588 62.712 62.100 0.039 0.000 0.910 437 T CB 0.047 68.939 68.868 0.040 0.000 1.226 437 T HN 0.555 nan 8.240 nan 0.000 0.508 438 S N 1.321 117.003 115.700 -0.030 0.000 2.546 438 S HA 0.764 5.234 4.470 -0.001 0.000 0.274 438 S C -0.622 173.885 174.600 -0.156 0.000 1.121 438 S CA -0.632 57.539 58.200 -0.047 0.000 0.887 438 S CB 2.331 65.550 63.200 0.031 0.000 1.094 438 S HN 0.770 nan 8.310 nan 0.000 0.474 439 T N -1.671 112.691 114.554 -0.320 0.000 2.804 439 T HA 0.436 4.786 4.350 -0.001 0.000 0.290 439 T C 0.835 175.011 174.700 -0.873 0.000 1.099 439 T CA -0.779 61.034 62.100 -0.479 0.000 1.011 439 T CB 0.659 69.402 68.868 -0.208 0.000 1.291 439 T HN 0.770 nan 8.240 nan 0.000 0.523 440 H N -0.085 118.564 119.070 -0.701 0.000 2.545 440 H HA 0.110 4.666 4.556 -0.001 0.000 0.282 440 H C -0.010 175.258 175.328 -0.099 0.000 1.020 440 H CA 0.976 56.829 56.048 -0.325 0.000 1.243 440 H CB -0.202 29.607 29.762 0.079 0.000 1.377 440 H HN 0.594 nan 8.280 nan 0.000 0.581 441 D N 1.414 121.580 120.400 -0.390 0.000 2.469 441 D HA 0.035 4.675 4.640 -0.001 0.000 0.213 441 D C 0.459 176.722 176.300 -0.063 0.000 1.135 441 D CA 0.296 54.180 54.000 -0.193 0.000 0.834 441 D CB 0.672 41.333 40.800 -0.231 0.000 1.009 441 D HN 0.447 nan 8.370 nan 0.000 0.507 442 T N -0.561 113.963 114.554 -0.050 0.000 2.918 442 T HA 0.124 4.473 4.350 -0.001 0.000 0.302 442 T C 1.363 176.029 174.700 -0.057 0.000 1.045 442 T CA -0.463 61.643 62.100 0.011 0.000 1.114 442 T CB 1.857 70.753 68.868 0.047 0.000 0.965 442 T HN -0.289 nan 8.240 nan 0.000 0.540 443 K N 0.690 121.007 120.400 -0.139 0.000 2.147 443 K HA 0.083 4.403 4.320 -0.001 0.000 0.205 443 K C -0.015 176.202 176.600 -0.638 0.000 1.049 443 K CA 1.122 57.165 56.287 -0.408 0.000 0.936 443 K CB -0.350 31.752 32.500 -0.663 0.000 0.722 443 K HN 0.680 nan 8.250 nan 0.000 0.446 444 F N -0.605 119.384 119.950 0.065 0.000 2.629 444 F HA 0.226 4.753 4.527 -0.001 0.000 0.316 444 F C 0.502 176.324 175.800 0.038 0.000 1.081 444 F CA -1.605 56.426 58.000 0.052 0.000 0.954 444 F CB 1.034 40.066 39.000 0.052 0.000 1.337 444 F HN -0.259 nan 8.300 nan 0.000 0.474 445 S N -0.073 115.779 115.700 0.253 0.000 2.603 445 S HA 0.159 4.629 4.470 -0.001 0.000 0.268 445 S C 1.056 175.726 174.600 0.116 0.000 1.317 445 S CA -0.078 58.207 58.200 0.143 0.000 1.012 445 S CB 0.886 64.153 63.200 0.113 0.000 0.926 445 S HN 0.835 nan 8.310 nan 0.000 0.539 446 E N 1.014 121.249 120.200 0.057 0.000 2.097 446 E HA -0.294 4.056 4.350 -0.001 0.000 0.196 446 E C 0.554 177.145 176.600 -0.016 0.000 1.000 446 E CA 1.787 58.196 56.400 0.015 0.000 0.804 446 E CB -0.615 29.082 29.700 -0.004 0.000 0.740 446 E HN 0.739 nan 8.360 nan 0.000 0.454 447 D N 0.926 121.306 120.400 -0.032 0.000 2.183 447 D HA -0.062 4.577 4.640 -0.001 0.000 0.203 447 D C 2.260 178.624 176.300 0.107 0.000 0.969 447 D CA 0.853 54.825 54.000 -0.045 0.000 0.842 447 D CB -0.035 40.568 40.800 -0.328 0.000 0.957 447 D HN 0.135 nan 8.370 nan 0.000 0.484 448 V N 1.409 121.405 119.914 0.137 0.000 2.261 448 V HA -0.239 3.881 4.120 -0.001 0.000 0.246 448 V C 2.509 178.565 176.094 -0.063 0.000 1.047 448 V CA 1.560 63.929 62.300 0.114 0.000 1.015 448 V CB -0.397 31.488 31.823 0.102 0.000 0.642 448 V HN 0.120 nan 8.190 nan 0.000 0.446 449 R N -0.779 119.683 120.500 -0.063 0.000 2.105 449 R HA -0.167 4.173 4.340 -0.001 0.000 0.239 449 R C 2.302 178.532 176.300 -0.117 0.000 1.135 449 R CA 1.514 57.552 56.100 -0.102 0.000 0.967 449 R CB -0.373 29.919 30.300 -0.014 0.000 0.861 449 R HN 0.372 nan 8.270 nan 0.000 0.442 450 M N 0.110 119.641 119.600 -0.116 0.000 2.175 450 M HA -0.111 4.369 4.480 -0.001 0.000 0.264 450 M C 2.079 178.318 176.300 -0.102 0.000 1.063 450 M CA 1.538 56.743 55.300 -0.158 0.000 1.119 450 M CB -0.738 31.747 32.600 -0.191 0.000 1.377 450 M HN 0.103 nan 8.290 nan 0.000 0.415 451 R N 0.022 120.483 120.500 -0.064 0.000 2.073 451 R HA -0.069 4.270 4.340 -0.001 0.000 0.234 451 R C 2.221 178.443 176.300 -0.130 0.000 1.134 451 R CA 1.331 57.381 56.100 -0.083 0.000 0.952 451 R CB -0.403 29.870 30.300 -0.044 0.000 0.850 451 R HN 0.324 nan 8.270 nan 0.000 0.433 452 I N 0.108 120.587 120.570 -0.152 0.000 2.252 452 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 452 I C 2.190 178.187 176.117 -0.199 0.000 1.102 452 I CA 1.105 62.281 61.300 -0.206 0.000 1.385 452 I CB -0.180 37.667 38.000 -0.254 0.000 1.064 452 I HN 0.086 nan 8.210 nan 0.000 0.414 453 S N 0.617 116.230 115.700 -0.145 0.000 2.399 453 S HA -0.133 4.336 4.470 -0.001 0.000 0.231 453 S C 2.204 176.759 174.600 -0.074 0.000 1.022 453 S CA 1.217 59.356 58.200 -0.101 0.000 0.983 453 S CB -0.255 62.918 63.200 -0.045 0.000 0.803 453 S HN 0.541 nan 8.310 nan 0.000 0.480 454 A N 1.354 124.122 122.820 -0.087 0.000 2.019 454 A HA -0.027 4.292 4.320 -0.001 0.000 0.219 454 A C 1.934 179.450 177.584 -0.113 0.000 1.164 454 A CA 0.906 52.896 52.037 -0.079 0.000 0.644 454 A CB -0.666 18.275 19.000 -0.098 0.000 0.805 454 A HN 0.516 nan 8.150 nan 0.000 0.449 455 I N 0.766 121.228 120.570 -0.180 0.000 2.151 455 I HA -0.310 3.860 4.170 -0.001 0.000 0.243 455 I C 2.793 178.829 176.117 -0.134 0.000 1.080 455 I CA 1.798 62.962 61.300 -0.227 0.000 1.339 455 I CB -0.390 37.255 38.000 -0.592 0.000 1.039 455 I HN 0.524 nan 8.210 nan 0.000 0.409 456 S N 0.169 115.809 115.700 -0.100 0.000 2.500 456 S HA -0.155 4.315 4.470 -0.001 0.000 0.239 456 S C 1.585 176.227 174.600 0.069 0.000 0.989 456 S CA 0.966 59.182 58.200 0.026 0.000 0.951 456 S CB -0.472 62.786 63.200 0.097 0.000 0.759 456 S HN 0.534 nan 8.310 nan 0.000 0.523 457 E N 1.007 121.231 120.200 0.040 0.000 2.285 457 E HA 0.115 4.464 4.350 -0.001 0.000 0.194 457 E C 0.904 177.540 176.600 0.061 0.000 0.997 457 E CA 0.887 57.318 56.400 0.052 0.000 0.845 457 E CB -0.087 29.633 29.700 0.033 0.000 0.782 457 E HN 0.885 nan 8.360 nan 0.000 0.491 458 I N -2.551 118.067 120.570 0.081 0.000 2.953 458 I HA 0.275 4.445 4.170 -0.001 0.000 0.325 458 I C -2.290 173.954 176.117 0.211 0.000 1.421 458 I CA -1.792 59.583 61.300 0.125 0.000 0.845 458 I CB 0.991 39.059 38.000 0.115 0.000 2.186 458 I HN -0.232 nan 8.210 nan 0.000 0.604 459 P HA -0.061 nan 4.420 nan 0.000 0.221 459 P C 0.693 178.142 177.300 0.249 0.000 1.150 459 P CA 1.104 64.369 63.100 0.275 0.000 0.800 459 P CB 0.380 32.207 31.700 0.211 0.000 0.787 460 D N 0.323 120.815 120.400 0.153 0.000 2.097 460 D HA -0.160 4.480 4.640 -0.001 0.000 0.197 460 D C 2.007 178.348 176.300 0.067 0.000 0.984 460 D CA 1.180 55.233 54.000 0.088 0.000 0.826 460 D CB -0.456 40.378 40.800 0.057 0.000 0.973 460 D HN 0.181 nan 8.370 nan 0.000 0.460 461 E N 0.696 120.966 120.200 0.117 0.000 2.077 461 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 461 E C 1.984 178.606 176.600 0.035 0.000 0.989 461 E CA 0.928 57.391 56.400 0.106 0.000 0.800 461 E CB -0.420 29.411 29.700 0.219 0.000 0.746 461 E HN 0.460 nan 8.360 nan 0.000 0.452 462 W N 0.945 122.218 121.300 -0.044 0.000 2.333 462 W HA -0.268 4.392 4.660 -0.001 0.000 0.316 462 W C 1.927 178.278 176.519 -0.280 0.000 1.215 462 W CA 1.897 59.106 57.345 -0.226 0.000 1.278 462 W CB -0.475 29.016 29.460 0.052 0.000 1.154 462 W HN 0.220 nan 8.180 nan 0.000 0.486 463 A N 0.904 123.602 122.820 -0.203 0.000 1.908 463 A HA -0.280 4.039 4.320 -0.001 0.000 0.218 463 A C 2.070 179.429 177.584 -0.374 0.000 1.181 463 A CA 2.192 54.041 52.037 -0.313 0.000 0.627 463 A CB -1.057 17.888 19.000 -0.093 0.000 0.818 463 A HN 0.432 nan 8.150 nan 0.000 0.445 464 K N -0.519 119.700 120.400 -0.302 0.000 2.057 464 K HA -0.167 4.153 4.320 -0.001 0.000 0.207 464 K C 1.931 178.230 176.600 -0.502 0.000 1.049 464 K CA 1.450 57.554 56.287 -0.304 0.000 0.931 464 K CB -0.100 32.282 32.500 -0.197 0.000 0.714 464 K HN 0.241 nan 8.250 nan 0.000 0.440 465 K N 0.492 120.426 120.400 -0.777 0.000 2.057 465 K HA -0.072 4.247 4.320 -0.001 0.000 0.206 465 K C 2.148 177.756 176.600 -1.655 0.000 1.050 465 K CA 0.891 56.377 56.287 -1.336 0.000 0.935 465 K CB -0.332 31.085 32.500 -1.804 0.000 0.715 465 K HN 0.044 nan 8.250 nan 0.000 0.439 466 V N 2.843 121.939 119.914 -1.363 0.000 2.287 466 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 466 V C 2.427 178.277 176.094 -0.407 0.000 1.053 466 V CA 1.910 63.643 62.300 -0.945 0.000 1.027 466 V CB -0.604 30.731 31.823 -0.813 0.000 0.646 466 V HN 0.474 nan 8.190 nan 0.000 0.447 467 N N 0.045 118.533 118.700 -0.353 0.000 2.084 467 N HA -0.250 4.490 4.740 -0.001 0.000 0.190 467 N C 2.051 177.522 175.510 -0.065 0.000 1.030 467 N CA 1.928 54.891 53.050 -0.144 0.000 0.849 467 N CB -0.067 38.329 38.487 -0.152 0.000 1.012 467 N HN 0.667 nan 8.380 nan 0.000 0.423 468 E N -0.356 119.727 120.200 -0.195 0.000 2.058 468 E HA -0.191 4.159 4.350 -0.001 0.000 0.194 468 E C 1.679 178.341 176.600 0.104 0.000 0.997 468 E CA 1.261 57.605 56.400 -0.094 0.000 0.801 468 E CB -0.164 29.417 29.700 -0.199 0.000 0.746 468 E HN 0.471 nan 8.360 nan 0.000 0.450 469 W N 0.141 121.419 121.300 -0.037 0.000 2.388 469 W HA -0.110 4.550 4.660 -0.000 0.000 0.294 469 W C 2.310 178.913 176.519 0.141 0.000 1.212 469 W CA 1.138 58.524 57.345 0.068 0.000 1.271 469 W CB -1.495 27.906 29.460 -0.098 0.000 1.126 469 W HN 0.409 nan 8.180 nan 0.000 0.535 470 H N 0.833 120.073 119.070 0.282 0.000 2.319 470 H HA -0.153 4.402 4.556 -0.001 0.000 0.299 470 H C 1.890 177.305 175.328 0.144 0.000 1.092 470 H CA 2.389 58.581 56.048 0.240 0.000 1.302 470 H CB -0.359 29.506 29.762 0.172 0.000 1.373 470 H HN -0.136 nan 8.280 nan 0.000 0.497 471 N N -0.000 118.769 118.700 0.115 0.000 2.244 471 N HA -0.092 4.647 4.740 -0.001 0.000 0.183 471 N C 2.079 177.604 175.510 0.025 0.000 1.016 471 N CA 1.291 54.360 53.050 0.031 0.000 0.866 471 N CB -0.106 38.419 38.487 0.063 0.000 0.980 471 N HN 0.450 nan 8.380 nan 0.000 0.430 472 I N 0.558 121.183 120.570 0.092 0.000 2.202 472 I HA -0.188 3.981 4.170 -0.001 0.000 0.242 472 I C 1.724 177.858 176.117 0.028 0.000 1.091 472 I CA 0.999 62.353 61.300 0.090 0.000 1.368 472 I CB -0.076 38.037 38.000 0.189 0.000 1.058 472 I HN 0.012 nan 8.210 nan 0.000 0.410 473 L N -0.383 120.848 121.223 0.012 0.000 2.375 473 L HA 0.066 4.406 4.340 -0.001 0.000 0.215 473 L C 0.574 177.397 176.870 -0.078 0.000 1.108 473 L CA 0.013 54.816 54.840 -0.060 0.000 0.830 473 L CB -0.561 41.436 42.059 -0.103 0.000 0.959 473 L HN 0.300 nan 8.230 nan 0.000 0.457 474 N N 0.811 119.424 118.700 -0.145 0.000 2.691 474 N HA -0.136 4.604 4.740 -0.001 0.000 0.277 474 N C -2.241 173.196 175.510 -0.123 0.000 1.029 474 N CA -0.120 52.809 53.050 -0.202 0.000 0.798 474 N CB -0.331 38.088 38.487 -0.113 0.000 0.922 474 N HN 0.177 nan 8.380 nan 0.000 0.562 475 P HA 0.129 nan 4.420 nan 0.000 0.271 475 P C -0.215 177.073 177.300 -0.020 0.000 1.218 475 P CA -0.128 62.949 63.100 -0.038 0.000 0.780 475 P CB 0.620 32.322 31.700 0.003 0.000 0.901 476 N N 1.405 120.083 118.700 -0.037 0.000 2.238 476 N HA 0.081 4.821 4.740 -0.001 0.000 0.222 476 N C 0.487 175.946 175.510 -0.084 0.000 1.133 476 N CA -0.445 52.579 53.050 -0.044 0.000 0.854 476 N CB -0.676 37.775 38.487 -0.060 0.000 1.041 476 N HN 0.433 nan 8.380 nan 0.000 0.510 477 I N -1.914 118.586 120.570 -0.117 0.000 2.713 477 I HA 0.370 4.539 4.170 -0.001 0.000 0.300 477 I C 0.334 176.470 176.117 0.031 0.000 1.009 477 I CA -1.114 60.093 61.300 -0.154 0.000 1.305 477 I CB 0.760 38.607 38.000 -0.255 0.000 1.430 477 I HN -0.094 nan 8.210 nan 0.000 0.546 478 D N 3.746 124.220 120.400 0.122 0.000 2.360 478 D HA 0.024 4.664 4.640 -0.001 0.000 0.242 478 D C 0.381 176.754 176.300 0.122 0.000 1.184 478 D CA -0.208 53.870 54.000 0.130 0.000 0.930 478 D CB 1.307 42.213 40.800 0.177 0.000 1.161 478 D HN 0.691 nan 8.370 nan 0.000 0.447 479 K N 0.442 120.897 120.400 0.091 0.000 2.097 479 K HA -0.184 4.136 4.320 -0.001 0.000 0.206 479 K C 1.749 178.422 176.600 0.120 0.000 1.049 479 K CA 1.217 57.541 56.287 0.062 0.000 0.933 479 K CB -0.144 32.343 32.500 -0.021 0.000 0.717 479 K HN 0.360 nan 8.250 nan 0.000 0.442 480 N N 1.244 120.033 118.700 0.147 0.000 2.142 480 N HA -0.141 4.599 4.740 -0.001 0.000 0.186 480 N C 1.084 176.762 175.510 0.281 0.000 1.023 480 N CA 1.448 54.641 53.050 0.239 0.000 0.852 480 N CB -0.037 38.578 38.487 0.214 0.000 0.998 480 N HN 0.093 nan 8.380 nan 0.000 0.424 481 D N 0.023 120.563 120.400 0.233 0.000 2.183 481 D HA -0.115 4.525 4.640 -0.001 0.000 0.203 481 D C 1.566 177.930 176.300 0.107 0.000 0.969 481 D CA 0.536 54.657 54.000 0.201 0.000 0.842 481 D CB -0.176 40.761 40.800 0.228 0.000 0.957 481 D HN 0.523 nan 8.370 nan 0.000 0.484 482 E N -0.533 119.703 120.200 0.060 0.000 2.072 482 E HA -0.199 4.150 4.350 -0.001 0.000 0.191 482 E C 1.834 178.343 176.600 -0.152 0.000 0.985 482 E CA 0.567 56.886 56.400 -0.134 0.000 0.801 482 E CB -0.027 29.631 29.700 -0.070 0.000 0.750 482 E HN 0.215 nan 8.360 nan 0.000 0.452 483 Y N 1.223 121.539 120.300 0.027 0.000 2.242 483 Y HA -0.151 4.399 4.550 -0.001 0.000 0.291 483 Y C 2.448 178.528 175.900 0.299 0.000 1.137 483 Y CA 1.820 60.063 58.100 0.239 0.000 1.181 483 Y CB -0.207 38.440 38.460 0.312 0.000 0.989 483 Y HN -0.036 nan 8.280 nan 0.000 0.527 484 R N 0.118 120.789 120.500 0.285 0.000 2.083 484 R HA -0.184 4.156 4.340 -0.001 0.000 0.237 484 R C 2.177 178.609 176.300 0.220 0.000 1.137 484 R CA 1.824 58.067 56.100 0.239 0.000 0.951 484 R CB -1.062 29.394 30.300 0.259 0.000 0.851 484 R HN 0.416 nan 8.270 nan 0.000 0.434 485 L N -0.337 120.971 121.223 0.142 0.000 2.012 485 L HA -0.167 4.173 4.340 -0.001 0.000 0.210 485 L C 1.751 178.786 176.870 0.274 0.000 1.073 485 L CA 1.785 56.707 54.840 0.136 0.000 0.748 485 L CB -0.797 41.253 42.059 -0.014 0.000 0.891 485 L HN 0.233 nan 8.230 nan 0.000 0.431 486 Y N 0.268 120.768 120.300 0.334 0.000 2.128 486 Y HA -0.256 4.294 4.550 -0.001 0.000 0.284 486 Y C 2.762 178.986 175.900 0.541 0.000 1.154 486 Y CA 1.594 59.991 58.100 0.495 0.000 1.149 486 Y CB -1.142 37.683 38.460 0.608 0.000 0.976 486 Y HN 0.386 nan 8.280 nan 0.000 0.505 487 Q N -0.861 119.260 119.800 0.535 0.000 2.084 487 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 487 Q C 2.150 178.277 176.000 0.211 0.000 0.978 487 Q CA 2.155 58.109 55.803 0.251 0.000 0.844 487 Q CB -0.433 28.323 28.738 0.029 0.000 0.898 487 Q HN 0.440 nan 8.270 nan 0.000 0.426 488 T N 1.483 116.196 114.554 0.264 0.000 2.708 488 T HA -0.142 4.208 4.350 -0.001 0.000 0.266 488 T C 1.810 176.703 174.700 0.323 0.000 1.037 488 T CA 1.014 63.280 62.100 0.276 0.000 1.146 488 T CB -0.201 68.902 68.868 0.392 0.000 0.865 488 T HN 0.276 nan 8.240 nan 0.000 0.435 489 I N 0.877 121.680 120.570 0.389 0.000 2.252 489 I HA -0.143 4.027 4.170 -0.001 0.000 0.245 489 I C 2.243 178.663 176.117 0.505 0.000 1.102 489 I CA 0.982 62.547 61.300 0.442 0.000 1.385 489 I CB -0.086 38.095 38.000 0.302 0.000 1.064 489 I HN 0.041 nan 8.210 nan 0.000 0.414 490 V N 1.248 121.484 119.914 0.536 0.000 2.287 490 V HA -0.256 3.864 4.120 -0.001 0.000 0.248 490 V C 2.570 178.779 176.094 0.193 0.000 1.053 490 V CA 2.199 64.760 62.300 0.436 0.000 1.027 490 V CB -1.562 30.525 31.823 0.440 0.000 0.646 490 V HN 0.642 nan 8.190 nan 0.000 0.447 491 G N -0.269 108.605 108.800 0.122 0.000 2.402 491 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.216 491 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.216 491 G C 1.636 176.581 174.900 0.076 0.000 1.162 491 G CA 1.247 46.358 45.100 0.017 0.000 0.777 491 G HN 0.674 nan 8.290 nan 0.000 0.539 492 S N -0.803 114.995 115.700 0.163 0.000 2.540 492 S HA 0.317 4.787 4.470 -0.001 0.000 0.218 492 S C 0.531 175.124 174.600 -0.011 0.000 0.977 492 S CA -0.801 57.513 58.200 0.190 0.000 0.918 492 S CB -0.225 63.173 63.200 0.330 0.000 0.806 492 S HN 0.109 nan 8.310 nan 0.000 0.496 493 F N 3.604 123.430 119.950 -0.207 0.000 2.604 493 F HA 0.174 4.701 4.527 -0.000 0.000 0.393 493 F C 0.561 175.881 175.800 -0.800 0.000 1.043 493 F CA -0.019 57.667 58.000 -0.522 0.000 1.227 493 F CB 0.364 39.278 39.000 -0.143 0.000 1.016 493 F HN 0.173 nan 8.300 nan 0.000 0.556 494 D N 4.271 123.490 120.400 -1.969 0.000 2.895 494 D HA 0.358 4.997 4.640 -0.001 0.000 0.350 494 D C -0.080 175.504 176.300 -1.193 0.000 1.389 494 D CA 0.765 53.998 54.000 -1.278 0.000 0.812 494 D CB -0.159 40.185 40.800 -0.761 0.000 1.164 494 D HN 0.935 nan 8.370 nan 0.000 0.455 495 G N 0.359 107.975 108.800 -1.973 0.000 2.719 495 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.686 495 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.686 495 G C -0.458 174.092 174.900 -0.583 0.000 1.201 495 G CA -0.967 43.505 45.100 -1.045 0.000 0.768 495 G HN 0.097 nan 8.290 nan 0.000 0.629 496 F N 2.593 122.539 119.950 -0.005 0.000 2.651 496 F HA 0.357 4.883 4.527 -0.001 0.000 0.347 496 F C 1.135 177.065 175.800 0.217 0.000 1.284 496 F CA 0.073 58.069 58.000 -0.007 0.000 1.175 496 F CB -0.185 38.730 39.000 -0.143 0.000 1.542 496 F HN 0.747 nan 8.300 nan 0.000 0.661 497 N N -1.310 117.700 118.700 0.518 0.000 2.455 497 N HA 0.332 5.072 4.740 -0.001 0.000 0.278 497 N C 0.331 176.040 175.510 0.332 0.000 1.291 497 N CA -0.916 52.347 53.050 0.354 0.000 0.780 497 N CB 0.650 39.249 38.487 0.186 0.000 1.520 497 N HN -0.122 nan 8.380 nan 0.000 0.486 498 N N 0.342 119.147 118.700 0.175 0.000 2.120 498 N HA -0.161 4.579 4.740 -0.001 0.000 0.188 498 N C 1.021 176.545 175.510 0.023 0.000 1.024 498 N CA 1.376 54.463 53.050 0.061 0.000 0.852 498 N CB -0.244 38.267 38.487 0.041 0.000 1.003 498 N HN 0.740 nan 8.380 nan 0.000 0.424 499 E N 0.343 120.584 120.200 0.069 0.000 2.077 499 E HA -0.217 4.133 4.350 -0.001 0.000 0.193 499 E C 1.869 178.523 176.600 0.089 0.000 0.989 499 E CA 0.944 57.381 56.400 0.063 0.000 0.800 499 E CB -0.967 28.775 29.700 0.070 0.000 0.746 499 E HN 0.499 nan 8.360 nan 0.000 0.452 500 Y N 2.374 122.687 120.300 0.022 0.000 2.200 500 Y HA -0.076 4.474 4.550 -0.001 0.000 0.290 500 Y C 2.471 178.367 175.900 -0.005 0.000 1.137 500 Y CA 1.694 59.813 58.100 0.032 0.000 1.163 500 Y CB -0.161 38.312 38.460 0.021 0.000 0.988 500 Y HN -0.043 nan 8.280 nan 0.000 0.518 501 K N -0.007 120.216 120.400 -0.294 0.000 2.044 501 K HA -0.227 4.092 4.320 -0.001 0.000 0.210 501 K C 1.882 178.172 176.600 -0.516 0.000 1.049 501 K CA 1.985 57.774 56.287 -0.830 0.000 0.927 501 K CB -0.059 31.838 32.500 -1.004 0.000 0.713 501 K HN 0.267 nan 8.250 nan 0.000 0.443 502 E N 0.292 120.321 120.200 -0.285 0.000 2.107 502 E HA -0.112 4.238 4.350 -0.001 0.000 0.191 502 E C 2.103 178.625 176.600 -0.129 0.000 0.982 502 E CA 0.816 57.111 56.400 -0.175 0.000 0.809 502 E CB -0.048 29.595 29.700 -0.095 0.000 0.756 502 E HN 0.315 nan 8.360 nan 0.000 0.459 503 R N 0.315 120.743 120.500 -0.120 0.000 2.091 503 R HA -0.134 4.206 4.340 -0.001 0.000 0.238 503 R C 2.416 178.672 176.300 -0.073 0.000 1.136 503 R CA 0.998 57.071 56.100 -0.046 0.000 0.959 503 R CB -0.424 29.895 30.300 0.032 0.000 0.856 503 R HN 0.087 nan 8.270 nan 0.000 0.437 504 L N 1.608 122.657 121.223 -0.290 0.000 2.017 504 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 504 L C 1.792 178.621 176.870 -0.068 0.000 1.073 504 L CA 1.851 56.566 54.840 -0.209 0.000 0.745 504 L CB -0.286 41.507 42.059 -0.443 0.000 0.894 504 L HN -0.027 nan 8.230 nan 0.000 0.432 505 K N -0.561 119.753 120.400 -0.143 0.000 2.009 505 K HA -0.150 4.170 4.320 -0.001 0.000 0.210 505 K C 2.117 178.695 176.600 -0.038 0.000 1.049 505 K CA 1.511 57.739 56.287 -0.098 0.000 0.929 505 K CB -0.514 31.906 32.500 -0.133 0.000 0.714 505 K HN 0.474 nan 8.250 nan 0.000 0.440 506 A N 1.386 124.199 122.820 -0.011 0.000 1.892 506 A HA -0.266 4.053 4.320 -0.001 0.000 0.218 506 A C 2.129 179.760 177.584 0.079 0.000 1.188 506 A CA 1.847 53.906 52.037 0.037 0.000 0.631 506 A CB -0.972 18.065 19.000 0.061 0.000 0.822 506 A HN 0.458 nan 8.150 nan 0.000 0.447 507 H N -1.220 117.877 119.070 0.045 0.000 2.353 507 H HA -0.095 4.461 4.556 -0.001 0.000 0.300 507 H C 1.911 177.287 175.328 0.080 0.000 1.090 507 H CA 1.894 57.998 56.048 0.094 0.000 1.327 507 H CB -0.113 29.737 29.762 0.148 0.000 1.383 507 H HN 0.312 nan 8.280 nan 0.000 0.508 508 M N 0.575 120.140 119.600 -0.058 0.000 2.159 508 M HA -0.123 4.357 4.480 -0.001 0.000 0.263 508 M C 2.645 178.860 176.300 -0.143 0.000 1.063 508 M CA 0.880 56.122 55.300 -0.096 0.000 1.110 508 M CB -0.885 31.717 32.600 0.003 0.000 1.374 508 M HN 0.311 nan 8.290 nan 0.000 0.411 509 I N -0.117 120.375 120.570 -0.130 0.000 2.226 509 I HA -0.322 3.847 4.170 -0.001 0.000 0.245 509 I C 2.528 178.468 176.117 -0.295 0.000 1.100 509 I CA 1.238 62.433 61.300 -0.175 0.000 1.374 509 I CB -0.424 37.493 38.000 -0.139 0.000 1.057 509 I HN 0.289 nan 8.210 nan 0.000 0.413 510 K N 1.478 121.740 120.400 -0.230 0.000 2.032 510 K HA -0.232 4.087 4.320 -0.001 0.000 0.209 510 K C 2.171 178.525 176.600 -0.410 0.000 1.048 510 K CA 1.825 57.990 56.287 -0.203 0.000 0.927 510 K CB -0.230 32.298 32.500 0.047 0.000 0.712 510 K HN 0.282 nan 8.250 nan 0.000 0.441 511 A N 1.094 123.628 122.820 -0.477 0.000 1.908 511 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 511 A C 2.170 179.571 177.584 -0.305 0.000 1.181 511 A CA 1.585 53.325 52.037 -0.495 0.000 0.627 511 A CB -0.685 18.221 19.000 -0.157 0.000 0.818 511 A HN 0.363 nan 8.150 nan 0.000 0.445 512 L N -1.308 119.793 121.223 -0.204 0.000 2.046 512 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 512 L C 2.884 179.615 176.870 -0.232 0.000 1.077 512 L CA 1.533 56.305 54.840 -0.114 0.000 0.747 512 L CB -0.456 41.585 42.059 -0.030 0.000 0.896 512 L HN 0.357 nan 8.230 nan 0.000 0.432 513 R N -0.500 119.733 120.500 -0.446 0.000 2.115 513 R HA -0.100 4.240 4.340 -0.001 0.000 0.226 513 R C 2.203 178.243 176.300 -0.434 0.000 1.100 513 R CA 0.716 56.413 56.100 -0.672 0.000 0.980 513 R CB -0.085 29.297 30.300 -1.530 0.000 0.875 513 R HN 0.351 nan 8.270 nan 0.000 0.445 514 E N 0.788 120.800 120.200 -0.312 0.000 2.072 514 E HA -0.131 4.218 4.350 -0.001 0.000 0.191 514 E C 2.008 178.582 176.600 -0.044 0.000 0.985 514 E CA 1.275 57.592 56.400 -0.139 0.000 0.801 514 E CB -0.152 29.169 29.700 -0.631 0.000 0.750 514 E HN 0.303 nan 8.360 nan 0.000 0.452 515 A N 0.997 123.782 122.820 -0.058 0.000 1.972 515 A HA -0.167 4.153 4.320 -0.001 0.000 0.219 515 A C 1.043 178.616 177.584 -0.018 0.000 1.169 515 A CA 1.423 53.489 52.037 0.048 0.000 0.635 515 A CB -0.321 18.731 19.000 0.086 0.000 0.810 515 A HN 0.292 nan 8.150 nan 0.000 0.446 516 K N -2.347 118.009 120.400 -0.073 0.000 3.209 516 K HA -0.175 4.145 4.320 -0.001 0.000 0.289 516 K C 0.709 177.230 176.600 -0.131 0.000 1.191 516 K CA 0.558 56.791 56.287 -0.090 0.000 0.851 516 K CB -2.084 30.390 32.500 -0.044 0.000 1.242 516 K HN 0.355 nan 8.250 nan 0.000 0.480 517 V N -0.284 119.519 119.914 -0.186 0.000 2.300 517 V HA -0.130 3.989 4.120 -0.001 0.000 0.241 517 V C 1.890 177.671 176.094 -0.521 0.000 1.034 517 V CA 1.397 63.481 62.300 -0.360 0.000 1.021 517 V CB -0.235 31.321 31.823 -0.445 0.000 0.662 517 V HN 0.398 nan 8.190 nan 0.000 0.458 518 H N -1.566 117.348 119.070 -0.261 0.000 2.750 518 H HA 0.339 4.894 4.556 -0.001 0.000 0.263 518 H C 0.663 175.835 175.328 -0.260 0.000 0.964 518 H CA 0.968 56.771 56.048 -0.408 0.000 1.205 518 H CB 1.343 30.507 29.762 -0.996 0.000 1.454 518 H HN 0.437 nan 8.280 nan 0.000 0.503 519 T N 0.461 114.956 114.554 -0.099 0.000 2.769 519 T HA 0.405 4.755 4.350 -0.001 0.000 0.306 519 T C -1.796 172.810 174.700 -0.157 0.000 1.400 519 T CA -0.688 61.352 62.100 -0.100 0.000 1.007 519 T CB 2.364 71.188 68.868 -0.073 0.000 1.392 519 T HN 0.432 nan 8.240 nan 0.000 0.500 520 D N -0.644 119.650 120.400 -0.176 0.000 2.724 520 D HA 0.344 4.984 4.640 -0.001 0.000 0.316 520 D C 0.049 176.219 176.300 -0.216 0.000 1.291 520 D CA -0.752 53.122 54.000 -0.211 0.000 0.875 520 D CB -0.022 40.743 40.800 -0.059 0.000 1.398 520 D HN 0.579 nan 8.370 nan 0.000 0.472 521 W N -0.477 120.823 121.300 -0.002 0.000 2.467 521 W HA 0.094 4.754 4.660 -0.001 0.000 0.275 521 W C 1.717 178.269 176.519 0.054 0.000 1.239 521 W CA 0.268 57.624 57.345 0.018 0.000 1.266 521 W CB -0.049 29.422 29.460 0.018 0.000 1.112 521 W HN 0.178 nan 8.180 nan 0.000 0.576 522 V N -0.199 119.864 119.914 0.249 0.000 2.374 522 V HA -0.046 4.074 4.120 -0.001 0.000 0.241 522 V C 0.086 176.276 176.094 0.161 0.000 1.034 522 V CA 1.127 63.566 62.300 0.232 0.000 1.037 522 V CB -0.731 31.197 31.823 0.175 0.000 0.682 522 V HN -0.019 nan 8.190 nan 0.000 0.463 523 N N 0.450 119.202 118.700 0.087 0.000 2.707 523 N HA 0.406 5.145 4.740 -0.001 0.000 0.235 523 N C -0.932 174.582 175.510 0.007 0.000 1.028 523 N CA -0.171 52.908 53.050 0.049 0.000 0.906 523 N CB 1.713 40.219 38.487 0.031 0.000 1.131 523 N HN 0.066 nan 8.380 nan 0.000 0.509 524 V N 2.310 122.227 119.914 0.006 0.000 2.446 524 V HA 0.022 4.141 4.120 -0.001 0.000 0.276 524 V C 0.601 176.685 176.094 -0.015 0.000 1.030 524 V CA -0.368 61.914 62.300 -0.030 0.000 1.033 524 V CB 0.325 32.133 31.823 -0.026 0.000 0.993 524 V HN 0.650 nan 8.190 nan 0.000 0.477 525 N N 4.097 122.787 118.700 -0.016 0.000 2.739 525 N HA -0.008 4.732 4.740 -0.001 0.000 0.266 525 N C 1.409 176.936 175.510 0.028 0.000 1.168 525 N CA 0.543 53.603 53.050 0.017 0.000 1.055 525 N CB 0.984 39.493 38.487 0.036 0.000 1.393 525 N HN 0.788 nan 8.380 nan 0.000 0.514 526 T N 1.564 116.123 114.554 0.008 0.000 2.881 526 T HA -0.120 4.229 4.350 -0.001 0.000 0.270 526 T C 0.937 175.636 174.700 -0.001 0.000 1.068 526 T CA 1.602 63.700 62.100 -0.003 0.000 1.131 526 T CB 0.256 69.117 68.868 -0.010 0.000 0.871 526 T HN 0.489 nan 8.240 nan 0.000 0.479 527 E N -0.129 120.080 120.200 0.014 0.000 2.028 527 E HA -0.022 4.328 4.350 -0.001 0.000 0.191 527 E C 1.758 178.362 176.600 0.007 0.000 0.988 527 E CA 1.325 57.727 56.400 0.003 0.000 0.799 527 E CB -0.652 29.057 29.700 0.014 0.000 0.755 527 E HN 0.677 nan 8.360 nan 0.000 0.447 528 Y N 1.730 121.991 120.300 -0.064 0.000 2.242 528 Y HA -0.151 4.398 4.550 -0.001 0.000 0.291 528 Y C 1.818 177.670 175.900 -0.081 0.000 1.137 528 Y CA 1.571 59.621 58.100 -0.084 0.000 1.181 528 Y CB 0.178 38.586 38.460 -0.087 0.000 0.989 528 Y HN 0.033 nan 8.280 nan 0.000 0.527 529 E N -0.318 119.903 120.200 0.036 0.000 2.106 529 E HA -0.237 4.113 4.350 -0.001 0.000 0.192 529 E C 1.984 178.528 176.600 -0.094 0.000 0.984 529 E CA 1.195 57.572 56.400 -0.040 0.000 0.806 529 E CB -0.090 29.593 29.700 -0.028 0.000 0.750 529 E HN 0.172 nan 8.360 nan 0.000 0.458 530 K N 1.757 122.109 120.400 -0.080 0.000 2.097 530 K HA -0.132 4.187 4.320 -0.001 0.000 0.205 530 K C 1.698 178.247 176.600 -0.085 0.000 1.050 530 K CA 1.312 57.556 56.287 -0.070 0.000 0.938 530 K CB 0.082 32.545 32.500 -0.062 0.000 0.718 530 K HN -0.075 nan 8.250 nan 0.000 0.442 531 K N -0.370 119.923 120.400 -0.179 0.000 2.026 531 K HA -0.165 4.154 4.320 -0.001 0.000 0.208 531 K C 2.086 178.583 176.600 -0.171 0.000 1.048 531 K CA 1.780 57.943 56.287 -0.207 0.000 0.929 531 K CB -0.251 32.020 32.500 -0.382 0.000 0.713 531 K HN 0.135 nan 8.250 nan 0.000 0.439 532 M N 1.271 120.710 119.600 -0.268 0.000 2.080 532 M HA -0.178 4.302 4.480 -0.001 0.000 0.260 532 M C 2.154 178.389 176.300 -0.107 0.000 1.068 532 M CA 2.268 57.453 55.300 -0.191 0.000 1.109 532 M CB -0.707 31.785 32.600 -0.181 0.000 1.342 532 M HN 0.263 nan 8.290 nan 0.000 0.405 533 T N -2.138 112.365 114.554 -0.084 0.000 2.904 533 T HA -0.179 4.171 4.350 -0.001 0.000 0.267 533 T C 1.827 176.499 174.700 -0.045 0.000 1.059 533 T CA 1.385 63.443 62.100 -0.072 0.000 1.137 533 T CB -1.165 67.665 68.868 -0.063 0.000 0.879 533 T HN 0.557 nan 8.240 nan 0.000 0.467 534 Y N 1.605 121.830 120.300 -0.125 0.000 2.200 534 Y HA 0.069 4.619 4.550 -0.001 0.000 0.290 534 Y C 2.146 177.980 175.900 -0.109 0.000 1.137 534 Y CA 0.964 58.998 58.100 -0.109 0.000 1.163 534 Y CB -0.537 37.859 38.460 -0.107 0.000 0.988 534 Y HN 0.200 nan 8.280 nan 0.000 0.518 535 L N 0.483 121.651 121.223 -0.091 0.000 2.079 535 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 535 L C 2.117 178.861 176.870 -0.209 0.000 1.081 535 L CA 1.806 56.540 54.840 -0.178 0.000 0.752 535 L CB -0.751 41.242 42.059 -0.110 0.000 0.896 535 L HN 0.381 nan 8.230 nan 0.000 0.433 536 I N -0.807 119.673 120.570 -0.151 0.000 2.252 536 I HA -0.241 3.929 4.170 -0.001 0.000 0.245 536 I C 2.056 178.114 176.117 -0.099 0.000 1.102 536 I CA 1.081 62.322 61.300 -0.099 0.000 1.385 536 I CB -0.525 37.393 38.000 -0.136 0.000 1.064 536 I HN 0.243 nan 8.210 nan 0.000 0.414 537 D N 1.052 121.337 120.400 -0.191 0.000 2.104 537 D HA -0.231 4.408 4.640 -0.001 0.000 0.194 537 D C 2.086 178.284 176.300 -0.169 0.000 0.994 537 D CA 1.306 55.198 54.000 -0.180 0.000 0.830 537 D CB -0.189 40.484 40.800 -0.211 0.000 0.959 537 D HN 0.256 nan 8.370 nan 0.000 0.452 538 K N 0.115 120.311 120.400 -0.339 0.000 2.063 538 K HA -0.110 4.210 4.320 -0.001 0.000 0.208 538 K C 2.268 178.740 176.600 -0.214 0.000 1.048 538 K CA 0.965 57.049 56.287 -0.338 0.000 0.928 538 K CB -0.068 32.147 32.500 -0.474 0.000 0.713 538 K HN 0.065 nan 8.250 nan 0.000 0.442 539 M N -0.518 118.957 119.600 -0.209 0.000 2.149 539 M HA -0.154 4.326 4.480 -0.001 0.000 0.261 539 M C 1.418 177.716 176.300 -0.002 0.000 1.064 539 M CA 1.489 56.635 55.300 -0.257 0.000 1.102 539 M CB -0.114 32.330 32.600 -0.260 0.000 1.369 539 M HN 0.073 nan 8.290 nan 0.000 0.408 540 F N 0.519 120.419 119.950 -0.084 0.000 2.811 540 F HA -0.028 4.499 4.527 -0.001 0.000 0.301 540 F C 1.699 177.437 175.800 -0.102 0.000 1.151 540 F CA 0.638 58.629 58.000 -0.016 0.000 1.412 540 F CB -0.530 38.544 39.000 0.123 0.000 1.113 540 F HN 0.374 nan 8.300 nan 0.000 0.579 541 N N -2.220 116.485 118.700 0.008 0.000 2.239 541 N HA -0.026 4.714 4.740 -0.001 0.000 0.208 541 N C 0.075 175.541 175.510 -0.072 0.000 1.200 541 N CA -0.045 52.985 53.050 -0.033 0.000 0.895 541 N CB -0.410 38.063 38.487 -0.025 0.000 1.085 541 N HN -0.095 nan 8.380 nan 0.000 0.500 542 N N 1.618 120.264 118.700 -0.090 0.000 2.402 542 N HA 0.009 4.748 4.740 -0.001 0.000 0.252 542 N C 0.169 175.643 175.510 -0.060 0.000 1.118 542 N CA 0.154 53.167 53.050 -0.062 0.000 0.945 542 N CB 0.784 39.237 38.487 -0.057 0.000 1.147 542 N HN 0.147 nan 8.380 nan 0.000 0.495 543 E N 3.419 123.586 120.200 -0.056 0.000 2.110 543 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 543 E C 1.506 178.076 176.600 -0.050 0.000 0.988 543 E CA 1.119 57.477 56.400 -0.069 0.000 0.804 543 E CB 0.150 29.825 29.700 -0.043 0.000 0.745 543 E HN 0.735 nan 8.360 nan 0.000 0.458 544 K N 0.393 120.792 120.400 -0.002 0.000 2.103 544 K HA -0.106 4.213 4.320 -0.001 0.000 0.204 544 K C 2.194 178.823 176.600 0.049 0.000 1.052 544 K CA 0.838 57.140 56.287 0.025 0.000 0.945 544 K CB -0.817 31.711 32.500 0.047 0.000 0.722 544 K HN 0.104 nan 8.250 nan 0.000 0.443 545 F N 2.418 122.320 119.950 -0.080 0.000 2.102 545 F HA -0.056 4.470 4.527 -0.001 0.000 0.298 545 F C 2.366 178.054 175.800 -0.186 0.000 1.105 545 F CA 1.418 59.341 58.000 -0.129 0.000 1.239 545 F CB -0.171 38.701 39.000 -0.212 0.000 0.991 545 F HN -0.151 nan 8.300 nan 0.000 0.474 546 M N 0.030 119.403 119.600 -0.377 0.000 2.117 546 M HA -0.212 4.267 4.480 -0.001 0.000 0.262 546 M C 2.318 178.472 176.300 -0.242 0.000 1.065 546 M CA 2.078 57.035 55.300 -0.571 0.000 1.114 546 M CB -0.687 31.467 32.600 -0.742 0.000 1.361 546 M HN 0.320 nan 8.290 nan 0.000 0.408 547 E N -0.194 119.917 120.200 -0.148 0.000 2.051 547 E HA -0.203 4.147 4.350 -0.001 0.000 0.192 547 E C 2.064 178.647 176.600 -0.027 0.000 0.991 547 E CA 1.598 57.965 56.400 -0.054 0.000 0.799 547 E CB 0.030 29.713 29.700 -0.029 0.000 0.748 547 E HN 0.329 nan 8.360 nan 0.000 0.449 548 S N -0.467 115.220 115.700 -0.021 0.000 2.359 548 S HA -0.201 4.269 4.470 -0.001 0.000 0.224 548 S C 1.744 176.435 174.600 0.151 0.000 1.035 548 S CA 1.393 59.656 58.200 0.105 0.000 1.018 548 S CB -0.541 62.817 63.200 0.263 0.000 0.876 548 S HN 0.475 nan 8.310 nan 0.000 0.448 549 F N 1.876 121.648 119.950 -0.298 0.000 2.102 549 F HA 0.018 4.545 4.527 -0.001 0.000 0.298 549 F C 1.877 177.593 175.800 -0.141 0.000 1.105 549 F CA 1.536 59.315 58.000 -0.370 0.000 1.239 549 F CB -0.389 37.954 39.000 -1.096 0.000 0.991 549 F HN 0.190 nan 8.300 nan 0.000 0.474 550 L N 0.101 121.261 121.223 -0.104 0.000 2.191 550 L HA -0.202 4.138 4.340 -0.001 0.000 0.212 550 L C 2.481 179.262 176.870 -0.147 0.000 1.103 550 L CA 1.678 56.429 54.840 -0.148 0.000 0.769 550 L CB -0.714 41.373 42.059 0.047 0.000 0.908 550 L HN 0.305 nan 8.230 nan 0.000 0.438 551 E N -0.052 120.112 120.200 -0.061 0.000 2.072 551 E HA -0.242 4.107 4.350 -0.001 0.000 0.190 551 E C 2.124 178.715 176.600 -0.015 0.000 0.982 551 E CA 1.019 57.406 56.400 -0.021 0.000 0.803 551 E CB -0.020 29.695 29.700 0.025 0.000 0.755 551 E HN 0.367 nan 8.360 nan 0.000 0.453 552 F N 1.738 121.596 119.950 -0.153 0.000 2.146 552 F HA -0.111 4.416 4.527 -0.001 0.000 0.298 552 F C 2.236 177.878 175.800 -0.263 0.000 1.096 552 F CA 1.744 59.658 58.000 -0.143 0.000 1.275 552 F CB -0.087 38.904 39.000 -0.016 0.000 1.008 552 F HN 0.007 nan 8.300 nan 0.000 0.480 553 E N -0.129 119.792 120.200 -0.466 0.000 2.150 553 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 553 E C 2.211 178.579 176.600 -0.387 0.000 0.985 553 E CA 1.460 57.488 56.400 -0.620 0.000 0.814 553 E CB -0.399 28.651 29.700 -1.082 0.000 0.752 553 E HN 0.298 nan 8.360 nan 0.000 0.466 554 S N 0.182 115.714 115.700 -0.279 0.000 2.383 554 S HA -0.160 4.309 4.470 -0.001 0.000 0.229 554 S C 1.679 176.169 174.600 -0.183 0.000 1.030 554 S CA 1.430 59.523 58.200 -0.177 0.000 1.002 554 S CB -0.155 62.979 63.200 -0.109 0.000 0.829 554 S HN 0.281 nan 8.310 nan 0.000 0.467 555 K N 0.716 120.973 120.400 -0.240 0.000 2.001 555 K HA 0.025 4.344 4.320 -0.001 0.000 0.208 555 K C 1.930 178.365 176.600 -0.276 0.000 1.048 555 K CA 1.052 57.195 56.287 -0.239 0.000 0.932 555 K CB -0.234 32.094 32.500 -0.287 0.000 0.715 555 K HN 0.232 nan 8.250 nan 0.000 0.437 556 I N 1.937 122.258 120.570 -0.416 0.000 2.226 556 I HA -0.249 3.921 4.170 -0.001 0.000 0.245 556 I C 2.157 178.132 176.117 -0.237 0.000 1.100 556 I CA 1.594 62.675 61.300 -0.366 0.000 1.374 556 I CB -1.041 36.686 38.000 -0.456 0.000 1.057 556 I HN 0.252 nan 8.210 nan 0.000 0.413 557 D N 1.047 121.305 120.400 -0.237 0.000 2.092 557 D HA -0.258 4.382 4.640 -0.001 0.000 0.193 557 D C 2.282 178.474 176.300 -0.180 0.000 0.994 557 D CA 1.694 55.564 54.000 -0.217 0.000 0.828 557 D CB -0.010 40.661 40.800 -0.216 0.000 0.963 557 D HN 0.176 nan 8.370 nan 0.000 0.450 558 K N -0.625 119.710 120.400 -0.108 0.000 2.032 558 K HA -0.164 4.156 4.320 -0.001 0.000 0.209 558 K C 2.291 178.935 176.600 0.072 0.000 1.048 558 K CA 1.390 57.697 56.287 0.034 0.000 0.927 558 K CB -0.138 32.408 32.500 0.076 0.000 0.712 558 K HN 0.213 nan 8.250 nan 0.000 0.441 559 M N -0.199 119.392 119.600 -0.015 0.000 2.117 559 M HA -0.098 4.382 4.480 -0.001 0.000 0.262 559 M C 2.267 178.567 176.300 -0.001 0.000 1.065 559 M CA 1.797 57.095 55.300 -0.003 0.000 1.114 559 M CB -0.439 32.127 32.600 -0.058 0.000 1.361 559 M HN 0.380 nan 8.290 nan 0.000 0.408 560 G N 0.541 109.305 108.800 -0.060 0.000 2.418 560 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.217 560 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.217 560 G C 1.598 176.457 174.900 -0.067 0.000 1.158 560 G CA 0.870 45.931 45.100 -0.065 0.000 0.771 560 G HN 0.384 nan 8.290 nan 0.000 0.545 561 K N -0.113 120.190 120.400 -0.163 0.000 2.057 561 K HA -0.003 4.316 4.320 -0.001 0.000 0.207 561 K C 2.578 179.290 176.600 0.187 0.000 1.049 561 K CA 0.995 57.115 56.287 -0.278 0.000 0.931 561 K CB -0.264 31.782 32.500 -0.757 0.000 0.714 561 K HN 0.203 nan 8.250 nan 0.000 0.440 562 V N 1.748 121.831 119.914 0.282 0.000 2.295 562 V HA -0.289 3.831 4.120 -0.001 0.000 0.246 562 V C 1.969 178.190 176.094 0.212 0.000 1.049 562 V CA 1.809 64.288 62.300 0.298 0.000 1.024 562 V CB -0.382 31.565 31.823 0.206 0.000 0.648 562 V HN 0.288 nan 8.190 nan 0.000 0.447 563 K N 0.020 120.498 120.400 0.130 0.000 2.057 563 K HA -0.130 4.190 4.320 -0.001 0.000 0.207 563 K C 2.448 178.975 176.600 -0.122 0.000 1.049 563 K CA 1.651 57.963 56.287 0.043 0.000 0.931 563 K CB -0.388 32.073 32.500 -0.064 0.000 0.714 563 K HN 0.321 nan 8.250 nan 0.000 0.440 564 S N 1.377 117.060 115.700 -0.028 0.000 2.359 564 S HA -0.116 4.353 4.470 -0.001 0.000 0.224 564 S C 1.892 176.571 174.600 0.131 0.000 1.035 564 S CA 1.185 59.414 58.200 0.047 0.000 1.018 564 S CB -0.276 63.079 63.200 0.259 0.000 0.876 564 S HN 0.189 nan 8.310 nan 0.000 0.448 565 L N 0.960 122.324 121.223 0.235 0.000 2.046 565 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 565 L C 2.571 179.551 176.870 0.183 0.000 1.077 565 L CA 1.005 55.977 54.840 0.220 0.000 0.747 565 L CB -0.677 41.557 42.059 0.293 0.000 0.896 565 L HN 0.266 nan 8.230 nan 0.000 0.432 566 S N 0.184 116.005 115.700 0.202 0.000 2.356 566 S HA -0.197 4.272 4.470 -0.001 0.000 0.223 566 S C 1.858 176.626 174.600 0.280 0.000 1.032 566 S CA 1.368 59.715 58.200 0.245 0.000 1.005 566 S CB -0.398 63.013 63.200 0.352 0.000 0.867 566 S HN 0.250 nan 8.310 nan 0.000 0.449 567 L N 2.049 123.399 121.223 0.212 0.000 2.042 567 L HA -0.059 4.281 4.340 -0.001 0.000 0.210 567 L C 2.202 179.194 176.870 0.203 0.000 1.076 567 L CA 1.568 56.522 54.840 0.189 0.000 0.749 567 L CB -0.799 41.203 42.059 -0.095 0.000 0.893 567 L HN 0.132 nan 8.230 nan 0.000 0.432 568 V N 0.087 120.089 119.914 0.147 0.000 2.287 568 V HA -0.331 3.789 4.120 -0.001 0.000 0.248 568 V C 2.811 179.005 176.094 0.168 0.000 1.053 568 V CA 1.756 64.144 62.300 0.147 0.000 1.027 568 V CB -1.432 30.474 31.823 0.138 0.000 0.646 568 V HN 0.630 nan 8.190 nan 0.000 0.447 569 A N -0.249 122.674 122.820 0.171 0.000 1.883 569 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 569 A C 2.224 179.961 177.584 0.255 0.000 1.186 569 A CA 2.005 54.142 52.037 0.166 0.000 0.624 569 A CB -0.610 18.472 19.000 0.136 0.000 0.822 569 A HN 0.506 nan 8.150 nan 0.000 0.444 570 L N -0.731 120.697 121.223 0.342 0.000 2.042 570 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 570 L C 2.670 179.874 176.870 0.557 0.000 1.076 570 L CA 2.052 57.213 54.840 0.534 0.000 0.749 570 L CB -0.486 41.874 42.059 0.503 0.000 0.893 570 L HN 0.519 nan 8.230 nan 0.000 0.432 571 K N 0.891 121.530 120.400 0.399 0.000 2.057 571 K HA -0.169 4.150 4.320 -0.001 0.000 0.207 571 K C 1.986 178.556 176.600 -0.050 0.000 1.049 571 K CA 1.482 57.806 56.287 0.062 0.000 0.931 571 K CB -0.048 32.406 32.500 -0.077 0.000 0.714 571 K HN 0.254 nan 8.250 nan 0.000 0.440 572 I N 0.501 121.097 120.570 0.044 0.000 2.716 572 I HA -0.134 4.035 4.170 -0.001 0.000 0.259 572 I C 2.018 178.077 176.117 -0.096 0.000 1.172 572 I CA 1.228 62.508 61.300 -0.033 0.000 1.478 572 I CB -0.049 37.944 38.000 -0.013 0.000 1.104 572 I HN 0.338 nan 8.210 nan 0.000 0.439 573 T N -3.446 111.182 114.554 0.124 0.000 3.014 573 T HA 0.191 4.540 4.350 -0.001 0.000 0.250 573 T C 0.981 176.077 174.700 0.660 0.000 1.060 573 T CA -0.200 62.103 62.100 0.338 0.000 1.040 573 T CB -0.031 69.119 68.868 0.469 0.000 0.971 573 T HN -0.009 nan 8.240 nan 0.000 0.497 574 S N 3.501 119.487 115.700 0.476 0.000 2.584 574 S HA 0.366 4.836 4.470 -0.001 0.000 0.270 574 S C -2.311 172.365 174.600 0.126 0.000 1.346 574 S CA -0.868 57.486 58.200 0.257 0.000 1.018 574 S CB 0.568 63.948 63.200 0.300 0.000 0.899 574 S HN 0.281 nan 8.310 nan 0.000 0.542 575 P HA 0.354 nan 4.420 nan 0.000 0.270 575 P C 0.318 177.551 177.300 -0.113 0.000 1.227 575 P CA 0.590 63.638 63.100 -0.086 0.000 0.788 575 P CB 0.055 31.611 31.700 -0.240 0.000 0.926 576 G N -1.107 107.636 108.800 -0.095 0.000 2.603 576 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.686 576 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.686 576 G C -1.306 173.527 174.900 -0.112 0.000 1.286 576 G CA -0.837 44.199 45.100 -0.107 0.000 0.871 576 G HN 0.457 nan 8.290 nan 0.000 0.568 577 V N 1.186 121.017 119.914 -0.137 0.000 2.383 577 V HA 0.619 4.738 4.120 -0.001 0.000 0.275 577 V C 1.161 177.027 176.094 -0.381 0.000 1.036 577 V CA 0.189 62.346 62.300 -0.237 0.000 0.889 577 V CB 1.107 32.750 31.823 -0.299 0.000 0.985 577 V HN 1.956 nan 8.190 nan 0.000 0.459 578 A N 4.048 126.685 122.820 -0.304 0.000 2.438 578 A HA 0.369 4.689 4.320 -0.001 0.000 0.280 578 A C -0.034 177.280 177.584 -0.450 0.000 1.160 578 A CA -0.092 51.731 52.037 -0.358 0.000 0.821 578 A CB -0.179 18.755 19.000 -0.110 0.000 1.101 578 A HN 0.907 nan 8.150 nan 0.000 0.515 579 D N 1.684 121.690 120.400 -0.657 0.000 2.168 579 D HA 0.601 5.241 4.640 -0.001 0.000 0.246 579 D C -1.141 174.744 176.300 -0.691 0.000 1.050 579 D CA -0.119 53.552 54.000 -0.549 0.000 0.857 579 D CB 0.506 41.026 40.800 -0.467 0.000 1.169 579 D HN 0.295 nan 8.370 nan 0.000 0.453 580 F N 3.123 122.993 119.950 -0.134 0.000 2.507 580 F HA 0.261 4.788 4.527 -0.001 0.000 0.328 580 F C -0.581 175.093 175.800 -0.209 0.000 1.136 580 F CA -1.168 56.736 58.000 -0.161 0.000 0.930 580 F CB 1.084 39.959 39.000 -0.209 0.000 1.166 580 F HN 0.293 nan 8.300 nan 0.000 0.436 581 Y N 4.083 124.312 120.300 -0.118 0.000 2.411 581 Y HA 0.153 4.703 4.550 -0.001 0.000 0.333 581 Y C 0.462 176.207 175.900 -0.258 0.000 1.186 581 Y CA -1.221 56.795 58.100 -0.140 0.000 1.381 581 Y CB 0.725 39.159 38.460 -0.043 0.000 1.273 581 Y HN 0.660 nan 8.280 nan 0.000 0.546 582 Q N 3.867 123.169 119.800 -0.831 0.000 2.308 582 Q HA 0.243 4.583 4.340 -0.001 0.000 0.313 582 Q C 0.929 176.693 176.000 -0.392 0.000 1.075 582 Q CA 0.767 56.213 55.803 -0.595 0.000 0.995 582 Q CB -0.082 28.444 28.738 -0.354 0.000 1.107 582 Q HN 1.074 nan 8.270 nan 0.000 0.380 583 G N 2.388 111.096 108.800 -0.153 0.000 2.217 583 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.246 583 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.246 583 G C 0.416 175.286 174.900 -0.049 0.000 0.990 583 G CA 0.090 45.129 45.100 -0.102 0.000 0.627 583 G HN 0.552 nan 8.290 nan 0.000 0.522 584 L N 2.242 123.444 121.223 -0.035 0.000 2.599 584 L HA 0.114 4.453 4.340 -0.001 0.000 0.230 584 L C 2.703 179.600 176.870 0.044 0.000 1.141 584 L CA 1.837 56.688 54.840 0.018 0.000 0.877 584 L CB -0.725 41.383 42.059 0.081 0.000 1.009 584 L HN 0.721 nan 8.230 nan 0.000 0.447 585 E N 0.406 120.634 120.200 0.046 0.000 2.204 585 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 585 E C 0.189 176.727 176.600 -0.102 0.000 0.990 585 E CA 0.530 56.926 56.400 -0.006 0.000 0.821 585 E CB -0.249 29.483 29.700 0.053 0.000 0.750 585 E HN 0.526 nan 8.360 nan 0.000 0.477 586 N N -0.277 118.360 118.700 -0.104 0.000 2.485 586 N HA 0.297 5.037 4.740 -0.001 0.000 0.280 586 N C -1.025 174.334 175.510 -0.251 0.000 1.205 586 N CA -0.846 52.088 53.050 -0.194 0.000 0.959 586 N CB 0.567 39.010 38.487 -0.073 0.000 1.206 586 N HN -0.140 nan 8.380 nan 0.000 0.545 587 F N 1.097 120.986 119.950 -0.102 0.000 2.557 587 F HA 0.160 4.687 4.527 -0.001 0.000 0.384 587 F C 0.877 176.454 175.800 -0.371 0.000 1.057 587 F CA 0.267 58.110 58.000 -0.261 0.000 1.169 587 F CB -0.018 38.889 39.000 -0.155 0.000 1.070 587 F HN 0.168 nan 8.300 nan 0.000 0.554 588 R N 3.451 123.723 120.500 -0.380 0.000 2.514 588 R HA 0.377 4.716 4.340 -0.001 0.000 0.296 588 R C -1.952 174.124 176.300 -0.372 0.000 1.012 588 R CA -0.819 55.124 56.100 -0.261 0.000 0.897 588 R CB 1.002 31.255 30.300 -0.077 0.000 1.184 588 R HN 0.524 nan 8.270 nan 0.000 0.440 589 Y N 5.420 125.769 120.300 0.082 0.000 2.587 589 Y HA 0.368 4.918 4.550 -0.001 0.000 0.328 589 Y C -0.303 175.665 175.900 0.112 0.000 0.980 589 Y CA -0.565 57.583 58.100 0.080 0.000 1.272 589 Y CB 0.991 39.467 38.460 0.026 0.000 1.094 589 Y HN 0.237 nan 8.280 nan 0.000 0.503 590 L N 4.281 125.639 121.223 0.224 0.000 2.346 590 L HA 0.588 4.928 4.340 -0.001 0.000 0.274 590 L C -0.194 176.813 176.870 0.227 0.000 1.007 590 L CA -0.737 54.229 54.840 0.210 0.000 0.818 590 L CB 1.786 43.962 42.059 0.195 0.000 1.284 590 L HN 0.507 nan 8.230 nan 0.000 0.424 591 L N 0.389 121.708 121.223 0.161 0.000 2.874 591 L HA 0.494 4.834 4.340 -0.001 0.000 0.229 591 L C 0.512 177.402 176.870 0.033 0.000 1.200 591 L CA -0.639 54.221 54.840 0.034 0.000 0.976 591 L CB 0.800 42.691 42.059 -0.280 0.000 1.887 591 L HN 0.511 nan 8.230 nan 0.000 0.543 592 T N -0.210 114.360 114.554 0.026 0.000 2.919 592 T HA 0.015 4.365 4.350 -0.001 0.000 0.302 592 T C -0.345 174.462 174.700 0.179 0.000 1.031 592 T CA -0.388 61.796 62.100 0.141 0.000 1.127 592 T CB 0.446 69.503 68.868 0.314 0.000 0.952 592 T HN 0.488 nan 8.240 nan 0.000 0.540 593 D N 3.443 123.926 120.400 0.139 0.000 2.923 593 D HA -0.080 4.560 4.640 -0.001 0.000 0.220 593 D C -1.125 175.269 176.300 0.157 0.000 1.099 593 D CA -1.243 52.842 54.000 0.141 0.000 0.807 593 D CB 0.725 41.590 40.800 0.109 0.000 1.155 593 D HN 0.191 nan 8.370 nan 0.000 0.524 594 P HA 0.033 nan 4.420 nan 0.000 0.255 594 P C 0.679 178.069 177.300 0.150 0.000 1.248 594 P CA 0.159 63.345 63.100 0.144 0.000 0.807 594 P CB 0.375 32.151 31.700 0.126 0.000 1.150 595 D N 1.996 122.493 120.400 0.162 0.000 2.149 595 D HA -0.178 4.462 4.640 -0.001 0.000 0.198 595 D C 1.477 177.874 176.300 0.162 0.000 0.990 595 D CA 1.320 55.413 54.000 0.155 0.000 0.839 595 D CB -0.299 40.594 40.800 0.155 0.000 0.948 595 D HN 0.067 nan 8.370 nan 0.000 0.460 596 N N -0.396 118.411 118.700 0.178 0.000 2.449 596 N HA -0.060 4.680 4.740 -0.001 0.000 0.191 596 N C 0.639 176.325 175.510 0.294 0.000 1.161 596 N CA 0.250 53.442 53.050 0.236 0.000 0.863 596 N CB 0.013 38.621 38.487 0.201 0.000 0.980 596 N HN 0.095 nan 8.380 nan 0.000 0.458 597 R N 0.267 120.896 120.500 0.214 0.000 2.362 597 R HA 0.202 4.542 4.340 -0.001 0.000 0.227 597 R C 0.086 176.456 176.300 0.116 0.000 0.905 597 R CA -0.252 55.961 56.100 0.188 0.000 1.067 597 R CB 0.044 30.449 30.300 0.175 0.000 1.078 597 R HN 0.297 nan 8.270 nan 0.000 0.516 598 R N 2.128 122.691 120.500 0.104 0.000 2.640 598 R HA 0.046 4.386 4.340 -0.001 0.000 0.270 598 R C -2.034 174.279 176.300 0.021 0.000 1.024 598 R CA -1.134 55.003 56.100 0.062 0.000 1.085 598 R CB -0.301 30.040 30.300 0.067 0.000 0.963 598 R HN -0.090 nan 8.270 nan 0.000 0.426 599 P HA -0.085 nan 4.420 nan 0.000 0.264 599 P C -0.321 176.926 177.300 -0.088 0.000 1.183 599 P CA -0.006 63.075 63.100 -0.032 0.000 0.763 599 P CB 0.495 32.182 31.700 -0.022 0.000 0.807 600 V N 5.039 124.865 119.914 -0.147 0.000 2.715 600 V HA 0.228 4.348 4.120 -0.001 0.000 0.299 600 V C 0.009 175.863 176.094 -0.399 0.000 1.054 600 V CA -0.047 62.074 62.300 -0.297 0.000 1.077 600 V CB 0.831 32.430 31.823 -0.373 0.000 0.972 600 V HN 0.413 nan 8.190 nan 0.000 0.484 601 V N 4.786 124.431 119.914 -0.448 0.000 2.769 601 V HA 0.688 4.807 4.120 -0.001 0.000 0.312 601 V C -0.837 174.900 176.094 -0.595 0.000 1.061 601 V CA -0.894 61.169 62.300 -0.394 0.000 0.931 601 V CB 1.666 33.392 31.823 -0.162 0.000 1.010 601 V HN 0.661 nan 8.190 nan 0.000 0.433 602 F N 1.822 121.645 119.950 -0.212 0.000 2.436 602 F HA 0.783 5.310 4.527 -0.001 0.000 0.340 602 F C 0.766 176.434 175.800 -0.220 0.000 1.113 602 F CA -0.099 57.679 58.000 -0.370 0.000 1.022 602 F CB 2.113 40.721 39.000 -0.653 0.000 1.128 602 F HN 0.648 nan 8.300 nan 0.000 0.466 603 S N 0.890 116.607 115.700 0.028 0.000 2.689 603 S HA 0.393 4.863 4.470 -0.001 0.000 0.306 603 S C -0.665 174.025 174.600 0.150 0.000 1.104 603 S CA -1.132 57.109 58.200 0.068 0.000 0.973 603 S CB 1.383 64.616 63.200 0.056 0.000 1.121 603 S HN 0.504 nan 8.310 nan 0.000 0.523 604 E N 1.002 121.263 120.200 0.101 0.000 2.360 604 E HA 0.200 4.550 4.350 -0.001 0.000 0.269 604 E C -0.777 175.886 176.600 0.106 0.000 1.022 604 E CA -0.052 56.411 56.400 0.106 0.000 0.887 604 E CB 0.428 30.159 29.700 0.051 0.000 0.990 604 E HN 0.333 nan 8.360 nan 0.000 0.426 605 L N 4.659 125.937 121.223 0.091 0.000 2.371 605 L HA 0.278 4.618 4.340 -0.001 0.000 0.272 605 L C -2.052 174.853 176.870 0.059 0.000 1.124 605 L CA -2.134 52.738 54.840 0.054 0.000 0.816 605 L CB 0.222 42.255 42.059 -0.043 0.000 1.129 605 L HN 0.262 nan 8.230 nan 0.000 0.448 606 P HA 0.069 nan 4.420 nan 0.000 0.269 606 P C -0.277 177.111 177.300 0.146 0.000 1.209 606 P CA -0.235 62.912 63.100 0.078 0.000 0.776 606 P CB 0.682 32.423 31.700 0.067 0.000 0.876 607 K N 1.456 121.887 120.400 0.052 0.000 2.348 607 K HA 0.117 4.437 4.320 -0.001 0.000 0.194 607 K C 0.914 177.586 176.600 0.119 0.000 1.052 607 K CA 0.721 57.062 56.287 0.091 0.000 1.004 607 K CB 0.515 33.035 32.500 0.032 0.000 0.873 607 K HN 0.604 nan 8.250 nan 0.000 0.523 608 R N -1.323 119.124 120.500 -0.089 0.000 2.752 608 R HA 0.253 4.593 4.340 -0.001 0.000 0.271 608 R C -1.175 174.747 176.300 -0.629 0.000 1.026 608 R CA -0.878 55.130 56.100 -0.154 0.000 0.901 608 R CB 0.515 30.792 30.300 -0.038 0.000 1.243 608 R HN -0.187 nan 8.270 nan 0.000 0.463 609 Y N 1.338 121.325 120.300 -0.521 0.000 2.359 609 Y HA 0.259 4.808 4.550 -0.001 0.000 0.330 609 Y C -0.733 175.028 175.900 -0.233 0.000 1.143 609 Y CA 0.560 58.383 58.100 -0.461 0.000 1.318 609 Y CB 0.993 39.405 38.460 -0.081 0.000 1.234 609 Y HN 0.593 nan 8.280 nan 0.000 0.522 610 E N 4.495 124.109 120.200 -0.976 0.000 2.314 610 E HA 0.082 4.432 4.350 -0.001 0.000 0.272 610 E C 0.182 176.227 176.600 -0.926 0.000 0.884 610 E CA -0.542 55.434 56.400 -0.707 0.000 0.753 610 E CB 1.690 31.174 29.700 -0.361 0.000 1.213 610 E HN 0.818 nan 8.360 nan 0.000 0.432 611 E N 1.876 121.765 120.200 -0.518 0.000 2.160 611 E HA -0.164 4.186 4.350 -0.001 0.000 0.195 611 E C 1.353 177.874 176.600 -0.131 0.000 0.991 611 E CA 1.443 57.691 56.400 -0.253 0.000 0.810 611 E CB -0.141 29.538 29.700 -0.035 0.000 0.742 611 E HN 0.683 nan 8.360 nan 0.000 0.466 612 G N 1.363 110.082 108.800 -0.134 0.000 2.679 612 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.212 612 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.212 612 G C 1.540 176.427 174.900 -0.020 0.000 1.137 612 G CA 0.167 45.240 45.100 -0.046 0.000 0.787 612 G HN 0.177 nan 8.290 nan 0.000 0.534 613 L N -0.817 120.357 121.223 -0.081 0.000 2.131 613 L HA -0.040 4.299 4.340 -0.001 0.000 0.210 613 L C 2.441 179.383 176.870 0.121 0.000 1.092 613 L CA 0.893 55.723 54.840 -0.016 0.000 0.759 613 L CB -0.353 41.658 42.059 -0.081 0.000 0.903 613 L HN 0.296 nan 8.230 nan 0.000 0.435 614 F N 1.157 121.143 119.950 0.060 0.000 2.084 614 F HA -0.200 4.327 4.527 -0.000 0.000 0.296 614 F C 2.400 178.259 175.800 0.098 0.000 1.111 614 F CA 1.628 59.704 58.000 0.127 0.000 1.224 614 F CB -0.159 38.912 39.000 0.119 0.000 0.991 614 F HN 0.081 nan 8.300 nan 0.000 0.471 615 N N 0.957 119.796 118.700 0.231 0.000 2.120 615 N HA -0.202 4.538 4.740 -0.001 0.000 0.188 615 N C 1.280 176.797 175.510 0.012 0.000 1.024 615 N CA 1.537 54.652 53.050 0.108 0.000 0.852 615 N CB -0.981 37.583 38.487 0.127 0.000 1.003 615 N HN 0.508 nan 8.380 nan 0.000 0.424 616 N N -0.267 118.447 118.700 0.025 0.000 2.521 616 N HA 0.044 4.784 4.740 -0.001 0.000 0.188 616 N C 1.077 176.607 175.510 0.034 0.000 1.146 616 N CA 0.997 54.057 53.050 0.017 0.000 0.893 616 N CB -0.229 38.264 38.487 0.011 0.000 0.975 616 N HN 0.224 nan 8.380 nan 0.000 0.451 617 G N 0.396 109.224 108.800 0.047 0.000 2.179 617 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.260 617 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.260 617 G C 1.060 176.052 174.900 0.152 0.000 0.977 617 G CA 0.359 45.568 45.100 0.182 0.000 0.641 617 G HN 0.484 nan 8.290 nan 0.000 0.533 618 R N -0.488 120.054 120.500 0.071 0.000 2.323 618 R HA 0.267 4.607 4.340 -0.001 0.000 0.198 618 R C 2.361 178.689 176.300 0.048 0.000 0.988 618 R CA 0.695 56.816 56.100 0.034 0.000 1.041 618 R CB -0.169 30.145 30.300 0.022 0.000 0.926 618 R HN 0.471 nan 8.270 nan 0.000 0.476 619 I N 1.825 122.450 120.570 0.092 0.000 2.264 619 I HA -0.299 3.870 4.170 -0.001 0.000 0.248 619 I C 2.139 178.295 176.117 0.065 0.000 1.111 619 I CA 1.671 63.073 61.300 0.170 0.000 1.382 619 I CB -0.117 38.064 38.000 0.302 0.000 1.060 619 I HN -0.012 nan 8.210 nan 0.000 0.418 620 K N 0.198 120.458 120.400 -0.233 0.000 2.026 620 K HA -0.167 4.153 4.320 -0.001 0.000 0.208 620 K C 2.143 178.628 176.600 -0.192 0.000 1.048 620 K CA 1.425 57.463 56.287 -0.414 0.000 0.929 620 K CB -0.285 31.531 32.500 -1.141 0.000 0.713 620 K HN 0.429 nan 8.250 nan 0.000 0.439 621 A N 0.388 123.123 122.820 -0.142 0.000 1.883 621 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 621 A C 2.061 179.643 177.584 -0.003 0.000 1.186 621 A CA 1.506 53.508 52.037 -0.058 0.000 0.624 621 A CB -0.934 18.061 19.000 -0.009 0.000 0.822 621 A HN 0.528 nan 8.150 nan 0.000 0.444 622 Y N 0.586 120.860 120.300 -0.043 0.000 2.128 622 Y HA -0.201 4.349 4.550 -0.001 0.000 0.284 622 Y C 2.488 178.392 175.900 0.007 0.000 1.154 622 Y CA 1.879 59.978 58.100 -0.001 0.000 1.149 622 Y CB -0.465 38.028 38.460 0.056 0.000 0.976 622 Y HN 0.071 nan 8.280 nan 0.000 0.505 623 V N -0.631 119.282 119.914 -0.002 0.000 2.295 623 V HA -0.349 3.771 4.120 -0.001 0.000 0.246 623 V C 2.268 178.290 176.094 -0.120 0.000 1.049 623 V CA 2.442 64.709 62.300 -0.055 0.000 1.024 623 V CB -1.154 30.705 31.823 0.059 0.000 0.648 623 V HN 0.474 nan 8.190 nan 0.000 0.447 624 T N -0.261 114.228 114.554 -0.107 0.000 2.652 624 T HA -0.288 4.061 4.350 -0.001 0.000 0.267 624 T C 1.936 176.503 174.700 -0.223 0.000 1.039 624 T CA 2.075 64.087 62.100 -0.146 0.000 1.153 624 T CB -0.250 68.501 68.868 -0.195 0.000 0.863 624 T HN 0.500 nan 8.240 nan 0.000 0.428 625 K N 1.060 121.314 120.400 -0.245 0.000 2.009 625 K HA -0.135 4.185 4.320 -0.001 0.000 0.210 625 K C 2.446 178.882 176.600 -0.274 0.000 1.049 625 K CA 1.852 57.983 56.287 -0.261 0.000 0.929 625 K CB -0.421 31.936 32.500 -0.238 0.000 0.714 625 K HN 0.354 nan 8.250 nan 0.000 0.440 626 V N -0.369 119.315 119.914 -0.384 0.000 2.343 626 V HA -0.192 3.927 4.120 -0.001 0.000 0.247 626 V C 2.218 178.198 176.094 -0.189 0.000 1.051 626 V CA 1.508 63.611 62.300 -0.328 0.000 1.036 626 V CB -0.728 30.824 31.823 -0.451 0.000 0.654 626 V HN 0.252 nan 8.190 nan 0.000 0.451 627 L N -0.599 120.523 121.223 -0.168 0.000 2.109 627 L HA -0.006 4.334 4.340 -0.001 0.000 0.207 627 L C 2.743 179.524 176.870 -0.148 0.000 1.086 627 L CA 1.351 56.111 54.840 -0.133 0.000 0.760 627 L CB -0.552 41.451 42.059 -0.093 0.000 0.910 627 L HN 0.288 nan 8.230 nan 0.000 0.437 628 L N -0.171 120.970 121.223 -0.136 0.000 2.083 628 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 628 L C 2.365 179.180 176.870 -0.092 0.000 1.083 628 L CA 1.122 55.892 54.840 -0.116 0.000 0.752 628 L CB -0.571 41.396 42.059 -0.154 0.000 0.899 628 L HN 0.398 nan 8.230 nan 0.000 0.433 629 N N 0.003 118.643 118.700 -0.101 0.000 2.270 629 N HA -0.149 4.591 4.740 -0.001 0.000 0.181 629 N C 1.844 177.339 175.510 -0.025 0.000 1.016 629 N CA 0.943 53.954 53.050 -0.064 0.000 0.870 629 N CB -0.010 38.428 38.487 -0.080 0.000 0.979 629 N HN 0.187 nan 8.380 nan 0.000 0.431 630 L N 2.121 123.325 121.223 -0.032 0.000 2.017 630 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 630 L C 2.517 179.460 176.870 0.122 0.000 1.073 630 L CA 1.554 56.418 54.840 0.040 0.000 0.745 630 L CB -0.570 41.512 42.059 0.038 0.000 0.894 630 L HN 0.010 nan 8.230 nan 0.000 0.432 631 R N -0.310 120.178 120.500 -0.021 0.000 2.096 631 R HA -0.257 4.083 4.340 -0.001 0.000 0.240 631 R C 2.484 178.890 176.300 0.177 0.000 1.139 631 R CA 2.206 58.330 56.100 0.040 0.000 0.952 631 R CB -0.328 29.860 30.300 -0.187 0.000 0.854 631 R HN 0.404 nan 8.270 nan 0.000 0.436 632 K N 0.074 120.523 120.400 0.080 0.000 2.025 632 K HA -0.117 4.203 4.320 -0.001 0.000 0.207 632 K C 2.107 178.759 176.600 0.087 0.000 1.049 632 K CA 1.807 58.140 56.287 0.077 0.000 0.933 632 K CB -0.097 32.421 32.500 0.031 0.000 0.714 632 K HN 0.347 nan 8.250 nan 0.000 0.438 633 S N 0.307 116.052 115.700 0.074 0.000 2.419 633 S HA -0.115 4.354 4.470 -0.001 0.000 0.233 633 S C 1.632 176.275 174.600 0.071 0.000 1.016 633 S CA 0.970 59.205 58.200 0.058 0.000 0.974 633 S CB -0.208 63.014 63.200 0.036 0.000 0.786 633 S HN 0.299 nan 8.310 nan 0.000 0.492 634 M N 1.104 120.781 119.600 0.128 0.000 2.530 634 M HA 0.269 4.749 4.480 -0.001 0.000 0.231 634 M C 0.428 176.830 176.300 0.170 0.000 1.180 634 M CA -0.090 55.278 55.300 0.113 0.000 0.985 634 M CB -0.260 32.405 32.600 0.108 0.000 1.623 634 M HN 0.252 nan 8.290 nan 0.000 0.475 635 K N 0.734 121.223 120.400 0.149 0.000 1.795 635 K HA -0.259 4.061 4.320 -0.001 0.000 0.138 635 K C 0.432 177.136 176.600 0.174 0.000 1.027 635 K CA 2.009 58.378 56.287 0.136 0.000 0.303 635 K CB -1.341 31.222 32.500 0.105 0.000 0.699 635 K HN 0.498 nan 8.250 nan 0.000 0.789 636 D N 1.167 121.663 120.400 0.159 0.000 2.342 636 D HA 0.025 4.664 4.640 -0.001 0.000 0.221 636 D C 1.231 177.620 176.300 0.149 0.000 1.101 636 D CA 0.104 54.190 54.000 0.143 0.000 0.837 636 D CB -0.232 40.622 40.800 0.090 0.000 0.938 636 D HN 0.339 nan 8.370 nan 0.000 0.508 637 F N 0.839 120.805 119.950 0.026 0.000 2.091 637 F HA -0.137 4.389 4.527 -0.001 0.000 0.299 637 F C 1.493 177.201 175.800 -0.153 0.000 1.103 637 F CA 1.499 59.440 58.000 -0.100 0.000 1.228 637 F CB -0.245 38.630 39.000 -0.208 0.000 0.984 637 F HN -0.121 nan 8.300 nan 0.000 0.477 638 F N -0.463 119.601 119.950 0.191 0.000 2.502 638 F HA -0.157 4.370 4.527 -0.001 0.000 0.298 638 F C 2.085 177.886 175.800 0.001 0.000 1.111 638 F CA 0.300 58.365 58.000 0.107 0.000 1.445 638 F CB -0.441 38.657 39.000 0.162 0.000 1.081 638 F HN -0.039 nan 8.300 nan 0.000 0.558 639 I N -0.099 120.543 120.570 0.120 0.000 2.235 639 I HA -0.196 3.973 4.170 -0.001 0.000 0.241 639 I C 1.427 177.509 176.117 -0.058 0.000 1.085 639 I CA 1.584 62.901 61.300 0.028 0.000 1.378 639 I CB -1.280 36.742 38.000 0.036 0.000 1.076 639 I HN 0.155 nan 8.210 nan 0.000 0.415 640 N N -0.187 118.447 118.700 -0.109 0.000 2.250 640 N HA 0.011 4.750 4.740 -0.001 0.000 0.190 640 N C 0.550 175.915 175.510 -0.242 0.000 1.116 640 N CA -0.127 52.839 53.050 -0.141 0.000 0.881 640 N CB 0.551 38.984 38.487 -0.090 0.000 1.006 640 N HN 0.218 nan 8.380 nan 0.000 0.491 641 S N 0.672 116.105 115.700 -0.445 0.000 2.593 641 S HA 0.132 4.602 4.470 -0.001 0.000 0.269 641 S C 0.281 174.686 174.600 -0.326 0.000 1.334 641 S CA -0.656 57.169 58.200 -0.625 0.000 1.015 641 S CB 0.993 63.251 63.200 -1.571 0.000 0.912 641 S HN -0.007 nan 8.310 nan 0.000 0.541 642 E N 0.778 120.839 120.200 -0.231 0.000 2.437 642 E HA 0.007 4.356 4.350 -0.001 0.000 0.263 642 E C -1.020 175.567 176.600 -0.022 0.000 1.030 642 E CA 0.439 56.782 56.400 -0.095 0.000 0.934 642 E CB 0.174 29.837 29.700 -0.061 0.000 0.943 642 E HN 0.734 nan 8.360 nan 0.000 0.444 643 Y N 1.761 121.988 120.300 -0.121 0.000 2.334 643 Y HA 0.226 4.776 4.550 -0.001 0.000 0.336 643 Y C -0.445 175.412 175.900 -0.072 0.000 0.960 643 Y CA -0.526 57.509 58.100 -0.108 0.000 1.164 643 Y CB 0.773 39.113 38.460 -0.200 0.000 1.155 643 Y HN 0.178 nan 8.280 nan 0.000 0.478 644 K N 8.581 128.805 120.400 -0.292 0.000 2.527 644 K HA 0.340 4.660 4.320 -0.001 0.000 0.240 644 K C -2.852 173.559 176.600 -0.314 0.000 0.989 644 K CA -1.938 54.225 56.287 -0.208 0.000 0.985 644 K CB 1.370 33.818 32.500 -0.086 0.000 1.221 644 K HN 0.425 nan 8.250 nan 0.000 0.458 645 P HA -0.027 nan 4.420 nan 0.000 0.265 645 P C -0.609 176.541 177.300 -0.251 0.000 1.187 645 P CA 0.194 62.956 63.100 -0.562 0.000 0.766 645 P CB 0.541 31.880 31.700 -0.601 0.000 0.820 646 L N 2.810 123.936 121.223 -0.163 0.000 2.334 646 L HA 0.403 4.743 4.340 -0.001 0.000 0.275 646 L C 0.762 177.639 176.870 0.010 0.000 1.036 646 L CA -0.730 54.078 54.840 -0.052 0.000 0.807 646 L CB 0.935 42.971 42.059 -0.038 0.000 1.231 646 L HN 0.164 nan 8.230 nan 0.000 0.438 647 K N 4.020 124.429 120.400 0.015 0.000 2.267 647 K HA 0.588 4.907 4.320 -0.001 0.000 0.282 647 K C -1.042 175.577 176.600 0.032 0.000 1.078 647 K CA -0.103 56.209 56.287 0.041 0.000 0.903 647 K CB 0.656 33.176 32.500 0.033 0.000 1.111 647 K HN 0.398 nan 8.250 nan 0.000 0.475 648 L N 2.077 123.324 121.223 0.040 0.000 2.327 648 L HA 0.317 4.657 4.340 -0.001 0.000 0.258 648 L C 0.235 177.109 176.870 0.006 0.000 1.024 648 L CA -1.337 53.506 54.840 0.006 0.000 0.825 648 L CB 1.943 43.984 42.059 -0.029 0.000 1.386 648 L HN 0.593 nan 8.230 nan 0.000 0.417 649 Q N 0.791 120.590 119.800 -0.002 0.000 2.492 649 Q HA 0.216 4.556 4.340 -0.001 0.000 0.238 649 Q C -0.875 175.126 176.000 0.001 0.000 1.045 649 Q CA -0.634 55.188 55.803 0.033 0.000 0.934 649 Q CB 0.570 29.370 28.738 0.104 0.000 1.276 649 Q HN 0.240 nan 8.270 nan 0.000 0.521 650 K N 0.369 120.798 120.400 0.049 0.000 2.489 650 K HA 0.075 4.395 4.320 -0.001 0.000 0.278 650 K C 0.900 177.529 176.600 0.049 0.000 1.000 650 K CA 1.173 57.483 56.287 0.038 0.000 1.012 650 K CB 0.293 32.830 32.500 0.063 0.000 0.903 650 K HN 1.042 nan 8.250 nan 0.000 0.485 651 G N 1.588 110.370 108.800 -0.030 0.000 2.194 651 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.236 651 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.236 651 G C -0.044 174.665 174.900 -0.319 0.000 0.987 651 G CA -0.249 44.823 45.100 -0.047 0.000 0.635 651 G HN 0.432 nan 8.290 nan 0.000 0.520 652 L N 0.008 120.996 121.223 -0.393 0.000 2.346 652 L HA 0.764 5.104 4.340 -0.001 0.000 0.274 652 L C -0.205 176.555 176.870 -0.183 0.000 1.007 652 L CA -1.055 53.553 54.840 -0.386 0.000 0.818 652 L CB 2.276 44.044 42.059 -0.485 0.000 1.284 652 L HN 0.229 nan 8.230 nan 0.000 0.424 653 c N 2.009 120.534 118.600 -0.125 0.000 2.535 653 c HA 0.933 5.502 4.570 -0.001 0.000 0.319 653 c C 0.034 174.175 174.090 0.085 0.000 1.171 653 c CA -0.225 56.106 56.329 0.005 0.000 1.394 653 c CB 0.737 43.204 42.510 -0.072 0.000 1.990 653 c HN 0.953 nan 8.230 nan 0.000 0.466 654 G N 3.589 112.526 108.800 0.227 0.000 2.704 654 G HA2 0.890 4.850 3.960 -0.001 0.000 0.293 654 G HA3 0.890 4.850 3.960 -0.001 0.000 0.293 654 G C -1.436 173.566 174.900 0.171 0.000 1.421 654 G CA -0.439 44.696 45.100 0.058 0.000 0.870 654 G HN 1.161 nan 8.290 nan 0.000 0.492 655 F N -1.820 118.103 119.950 -0.044 0.000 2.741 655 F HA 0.766 5.293 4.527 -0.001 0.000 0.311 655 F C -0.974 174.726 175.800 -0.167 0.000 1.149 655 F CA -1.641 56.206 58.000 -0.256 0.000 0.930 655 F CB 1.402 40.041 39.000 -0.602 0.000 1.312 655 F HN 0.503 nan 8.300 nan 0.000 0.450 656 M N 2.234 121.855 119.600 0.036 0.000 2.472 656 M HA 0.532 5.011 4.480 -0.001 0.000 0.331 656 M C -0.717 175.690 176.300 0.180 0.000 1.170 656 M CA -0.930 54.415 55.300 0.076 0.000 1.009 656 M CB 1.796 34.420 32.600 0.041 0.000 1.672 656 M HN 0.525 nan 8.290 nan 0.000 0.453 657 R N 1.623 122.260 120.500 0.229 0.000 2.265 657 R HA 0.552 4.892 4.340 -0.001 0.000 0.328 657 R C 0.471 176.869 176.300 0.163 0.000 0.969 657 R CA -0.051 56.143 56.100 0.157 0.000 0.832 657 R CB 0.518 30.913 30.300 0.159 0.000 1.139 657 R HN 0.988 nan 8.270 nan 0.000 0.457 658 G N 3.310 112.111 108.800 0.002 0.000 2.594 658 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.297 658 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.297 658 G C -0.089 174.905 174.900 0.157 0.000 1.273 658 G CA 0.470 45.628 45.100 0.097 0.000 0.974 658 G HN 0.597 nan 8.290 nan 0.000 0.552 659 D N 0.214 120.729 120.400 0.193 0.000 2.463 659 D HA 0.280 4.919 4.640 -0.001 0.000 0.224 659 D C 1.632 177.997 176.300 0.107 0.000 1.174 659 D CA 0.270 54.341 54.000 0.119 0.000 0.829 659 D CB 1.017 41.860 40.800 0.071 0.000 0.993 659 D HN 0.342 nan 8.370 nan 0.000 0.497 660 K N -0.365 120.122 120.400 0.145 0.000 2.403 660 K HA 0.145 4.465 4.320 -0.001 0.000 0.199 660 K C -0.070 176.588 176.600 0.097 0.000 1.199 660 K CA 0.583 56.885 56.287 0.024 0.000 0.924 660 K CB 1.077 33.424 32.500 -0.255 0.000 1.137 660 K HN -0.198 nan 8.250 nan 0.000 0.510 661 V N 2.519 122.533 119.914 0.166 0.000 2.531 661 V HA 0.429 4.549 4.120 -0.001 0.000 0.301 661 V C -1.397 174.774 176.094 0.129 0.000 1.034 661 V CA -1.025 61.382 62.300 0.179 0.000 0.865 661 V CB 1.527 33.492 31.823 0.238 0.000 0.995 661 V HN 0.096 nan 8.190 nan 0.000 0.424 662 L N 6.729 127.967 121.223 0.024 0.000 2.305 662 L HA 0.742 5.082 4.340 -0.001 0.000 0.284 662 L C -0.604 176.133 176.870 -0.221 0.000 1.013 662 L CA -0.007 54.741 54.840 -0.154 0.000 0.819 662 L CB 1.691 43.518 42.059 -0.386 0.000 1.227 662 L HN 0.449 nan 8.230 nan 0.000 0.417 663 V N 6.992 126.695 119.914 -0.352 0.000 2.409 663 V HA 0.545 4.665 4.120 -0.001 0.000 0.291 663 V C -0.232 175.616 176.094 -0.410 0.000 1.020 663 V CA -0.343 61.693 62.300 -0.439 0.000 0.848 663 V CB 1.552 32.887 31.823 -0.813 0.000 0.990 663 V HN 0.622 nan 8.190 nan 0.000 0.430 664 I N 5.823 126.248 120.570 -0.241 0.000 2.512 664 I HA 0.630 4.800 4.170 -0.001 0.000 0.287 664 I C -0.510 175.546 176.117 -0.103 0.000 1.069 664 I CA -0.790 60.410 61.300 -0.168 0.000 1.056 664 I CB 2.211 40.122 38.000 -0.149 0.000 1.229 664 I HN 0.515 nan 8.210 nan 0.000 0.429 665 V N 2.356 122.226 119.914 -0.073 0.000 2.914 665 V HA 0.604 4.724 4.120 -0.001 0.000 0.314 665 V C -0.590 175.468 176.094 -0.060 0.000 1.084 665 V CA -0.915 61.373 62.300 -0.019 0.000 0.963 665 V CB 2.024 33.882 31.823 0.058 0.000 1.025 665 V HN 0.608 nan 8.190 nan 0.000 0.432 666 K N 2.123 122.521 120.400 -0.002 0.000 2.276 666 K HA 0.371 4.691 4.320 -0.001 0.000 0.285 666 K C 0.989 177.628 176.600 0.065 0.000 1.062 666 K CA 0.440 56.726 56.287 -0.002 0.000 0.918 666 K CB 1.547 34.119 32.500 0.120 0.000 1.055 666 K HN 1.037 nan 8.250 nan 0.000 0.477 667 T N 0.481 115.000 114.554 -0.058 0.000 3.044 667 T HA 0.190 4.540 4.350 -0.001 0.000 0.250 667 T C 0.595 175.354 174.700 0.099 0.000 1.081 667 T CA 0.011 62.042 62.100 -0.114 0.000 1.040 667 T CB 0.082 68.579 68.868 -0.617 0.000 0.962 667 T HN 0.293 nan 8.240 nan 0.000 0.506 668 L N 1.317 122.613 121.223 0.123 0.000 2.370 668 L HA 0.493 4.833 4.340 -0.001 0.000 0.266 668 L C -0.337 176.649 176.870 0.193 0.000 1.002 668 L CA -1.093 53.843 54.840 0.160 0.000 0.818 668 L CB 1.913 44.066 42.059 0.157 0.000 1.325 668 L HN -0.015 nan 8.230 nan 0.000 0.418 669 N N 3.291 122.065 118.700 0.124 0.000 2.895 669 N HA 0.214 4.954 4.740 -0.001 0.000 0.277 669 N C -0.663 174.864 175.510 0.028 0.000 1.185 669 N CA 0.012 53.111 53.050 0.082 0.000 1.106 669 N CB 0.280 38.792 38.487 0.043 0.000 1.422 669 N HN 0.470 nan 8.380 nan 0.000 0.521 670 R N -0.080 120.428 120.500 0.014 0.000 2.855 670 R HA 0.352 4.692 4.340 -0.001 0.000 0.266 670 R C -1.088 174.991 176.300 -0.367 0.000 1.034 670 R CA -0.873 55.103 56.100 -0.207 0.000 0.944 670 R CB 1.407 31.507 30.300 -0.333 0.000 1.219 670 R HN 0.152 nan 8.270 nan 0.000 0.474 671 D N 1.191 121.333 120.400 -0.430 0.000 2.308 671 D HA 0.228 4.867 4.640 -0.001 0.000 0.251 671 D C -0.835 175.129 176.300 -0.560 0.000 1.127 671 D CA 0.610 54.410 54.000 -0.335 0.000 0.876 671 D CB 0.712 41.399 40.800 -0.189 0.000 1.176 671 D HN 0.251 nan 8.370 nan 0.000 0.446 672 Y N 0.440 120.734 120.300 -0.009 0.000 2.492 672 Y HA 0.282 4.832 4.550 -0.001 0.000 0.346 672 Y C -0.139 175.755 175.900 -0.011 0.000 0.997 672 Y CA -0.988 57.107 58.100 -0.008 0.000 1.025 672 Y CB 2.055 40.511 38.460 -0.007 0.000 1.263 672 Y HN 0.100 nan 8.280 nan 0.000 0.454 673 D N 2.414 122.907 120.400 0.154 0.000 2.498 673 D HA 0.433 5.072 4.640 -0.001 0.000 0.247 673 D C -1.293 175.049 176.300 0.071 0.000 1.070 673 D CA -0.309 53.741 54.000 0.083 0.000 0.842 673 D CB 3.150 43.978 40.800 0.047 0.000 1.361 673 D HN 0.372 nan 8.370 nan 0.000 0.484 674 I N 1.255 121.846 120.570 0.036 0.000 2.530 674 I HA 0.189 4.359 4.170 -0.001 0.000 0.297 674 I C -0.604 175.515 176.117 0.004 0.000 1.011 674 I CA -0.612 60.695 61.300 0.011 0.000 1.107 674 I CB 1.642 39.629 38.000 -0.023 0.000 1.285 674 I HN 0.059 nan 8.210 nan 0.000 0.436 675 E N 7.518 127.721 120.200 0.006 0.000 2.200 675 E HA 0.398 4.748 4.350 -0.001 0.000 0.283 675 E C -0.708 175.896 176.600 0.007 0.000 1.015 675 E CA -0.327 56.080 56.400 0.012 0.000 0.819 675 E CB 1.469 31.180 29.700 0.018 0.000 1.081 675 E HN 0.580 nan 8.360 nan 0.000 0.397 676 I N -1.208 119.375 120.570 0.022 0.000 2.493 676 I HA 0.427 4.596 4.170 -0.001 0.000 0.298 676 I C -0.249 175.934 176.117 0.109 0.000 0.998 676 I CA -0.971 60.358 61.300 0.048 0.000 1.137 676 I CB 1.780 39.791 38.000 0.018 0.000 1.310 676 I HN -0.006 nan 8.210 nan 0.000 0.445 677 D N 5.204 125.693 120.400 0.149 0.000 2.325 677 D HA 0.423 5.063 4.640 -0.001 0.000 0.251 677 D C 0.733 177.120 176.300 0.146 0.000 1.196 677 D CA 0.986 55.060 54.000 0.124 0.000 0.866 677 D CB 1.440 42.296 40.800 0.093 0.000 1.101 677 D HN 1.073 nan 8.370 nan 0.000 0.476 678 G N 3.314 112.155 108.800 0.068 0.000 2.645 678 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.239 678 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.239 678 G C -0.426 174.485 174.900 0.019 0.000 1.331 678 G CA -0.612 44.488 45.100 0.000 0.000 0.890 678 G HN 0.539 nan 8.290 nan 0.000 0.572 679 E N -0.703 119.439 120.200 -0.096 0.000 2.214 679 E HA 0.661 5.010 4.350 -0.001 0.000 0.274 679 E C -1.141 175.335 176.600 -0.206 0.000 0.977 679 E CA -0.405 55.967 56.400 -0.047 0.000 0.827 679 E CB 1.807 31.483 29.700 -0.039 0.000 1.130 679 E HN 0.444 nan 8.360 nan 0.000 0.394 680 Y N -0.462 119.832 120.300 -0.010 0.000 2.615 680 Y HA 0.260 4.810 4.550 -0.001 0.000 0.341 680 Y C -0.144 175.749 175.900 -0.011 0.000 1.089 680 Y CA -0.862 57.232 58.100 -0.011 0.000 1.049 680 Y CB 2.461 40.913 38.460 -0.012 0.000 1.296 680 Y HN 0.285 nan 8.280 nan 0.000 0.470 681 T N 1.477 116.130 114.554 0.165 0.000 2.767 681 T HA 0.108 4.458 4.350 -0.001 0.000 0.284 681 T C -0.949 173.799 174.700 0.080 0.000 0.973 681 T CA -0.718 61.436 62.100 0.089 0.000 0.996 681 T CB 0.609 69.508 68.868 0.052 0.000 0.927 681 T HN 0.442 nan 8.240 nan 0.000 0.456 682 D N 3.198 123.620 120.400 0.037 0.000 2.338 682 D HA 0.040 4.680 4.640 -0.001 0.000 0.255 682 D C 1.546 177.841 176.300 -0.008 0.000 1.237 682 D CA -0.398 53.601 54.000 -0.003 0.000 0.883 682 D CB 1.207 41.983 40.800 -0.040 0.000 1.087 682 D HN 0.374 nan 8.370 nan 0.000 0.485 683 V N 3.047 122.962 119.914 0.001 0.000 2.667 683 V HA -0.126 3.994 4.120 -0.001 0.000 0.252 683 V C 2.098 178.187 176.094 -0.008 0.000 1.065 683 V CA 0.835 63.137 62.300 0.004 0.000 1.083 683 V CB -0.581 31.248 31.823 0.009 0.000 0.692 683 V HN 0.541 nan 8.190 nan 0.000 0.468 684 I N 2.188 122.740 120.570 -0.031 0.000 2.235 684 I HA -0.140 4.030 4.170 -0.001 0.000 0.241 684 I C 2.831 178.886 176.117 -0.104 0.000 1.085 684 I CA 2.018 63.312 61.300 -0.010 0.000 1.378 684 I CB -0.648 37.344 38.000 -0.013 0.000 1.076 684 I HN 0.503 nan 8.210 nan 0.000 0.415 685 T N -3.298 111.068 114.554 -0.313 0.000 3.067 685 T HA -0.052 4.298 4.350 -0.001 0.000 0.261 685 T C 0.940 175.554 174.700 -0.144 0.000 1.110 685 T CA 0.666 62.446 62.100 -0.534 0.000 1.113 685 T CB -0.138 68.440 68.868 -0.483 0.000 0.917 685 T HN 0.331 nan 8.240 nan 0.000 0.499 686 D N 0.749 121.123 120.400 -0.043 0.000 2.870 686 D HA -0.120 4.520 4.640 -0.001 0.000 0.228 686 D C -0.773 175.534 176.300 0.012 0.000 1.147 686 D CA 0.610 54.622 54.000 0.019 0.000 0.757 686 D CB -1.058 39.783 40.800 0.069 0.000 1.091 686 D HN 0.543 nan 8.370 nan 0.000 0.429 687 E N -0.332 119.862 120.200 -0.010 0.000 2.204 687 E HA 0.392 4.741 4.350 -0.001 0.000 0.276 687 E C -0.016 176.594 176.600 0.016 0.000 0.974 687 E CA -0.379 56.023 56.400 0.003 0.000 0.815 687 E CB 1.291 30.986 29.700 -0.009 0.000 1.119 687 E HN 0.043 nan 8.360 nan 0.000 0.393 688 T N 1.842 116.410 114.554 0.023 0.000 2.761 688 T HA 0.305 4.654 4.350 -0.001 0.000 0.296 688 T C 0.198 174.921 174.700 0.038 0.000 0.934 688 T CA -0.453 61.667 62.100 0.033 0.000 1.091 688 T CB 0.154 69.036 68.868 0.024 0.000 0.896 688 T HN 0.285 nan 8.240 nan 0.000 0.515 689 V N 2.854 122.806 119.914 0.062 0.000 2.815 689 V HA 0.930 5.050 4.120 -0.001 0.000 0.314 689 V C -0.482 175.667 176.094 0.091 0.000 1.064 689 V CA -1.332 61.005 62.300 0.062 0.000 0.952 689 V CB 1.848 33.699 31.823 0.046 0.000 1.020 689 V HN 0.982 nan 8.190 nan 0.000 0.439 690 R N 1.937 122.478 120.500 0.068 0.000 2.710 690 R HA 0.826 5.166 4.340 -0.001 0.000 0.270 690 R C 0.414 176.746 176.300 0.053 0.000 1.021 690 R CA -0.193 55.950 56.100 0.072 0.000 0.889 690 R CB 1.252 31.581 30.300 0.047 0.000 1.243 690 R HN 2.005 nan 8.270 nan 0.000 0.464 691 G N 1.731 110.564 108.800 0.055 0.000 2.596 691 G HA2 -0.400 3.560 3.960 -0.001 0.000 0.304 691 G HA3 -0.400 3.560 3.960 -0.001 0.000 0.304 691 G C -0.540 174.378 174.900 0.030 0.000 1.189 691 G CA 0.588 45.711 45.100 0.038 0.000 0.986 691 G HN 0.842 nan 8.290 nan 0.000 0.548 692 R N 0.065 120.578 120.500 0.023 0.000 2.216 692 R HA 0.534 4.874 4.340 -0.001 0.000 0.332 692 R C -0.559 175.749 176.300 0.014 0.000 1.056 692 R CA -0.332 55.778 56.100 0.018 0.000 0.901 692 R CB 0.700 31.011 30.300 0.017 0.000 1.039 692 R HN 0.457 nan 8.270 nan 0.000 0.456 693 V N 5.121 125.040 119.914 0.008 0.000 2.495 693 V HA 0.271 4.391 4.120 -0.001 0.000 0.298 693 V C -0.060 176.039 176.094 0.008 0.000 1.031 693 V CA -0.895 61.406 62.300 0.001 0.000 0.871 693 V CB 1.629 33.441 31.823 -0.018 0.000 0.988 693 V HN 0.707 nan 8.190 nan 0.000 0.432 694 K N 3.005 123.411 120.400 0.011 0.000 2.298 694 K HA 0.448 4.768 4.320 -0.001 0.000 0.280 694 K C -0.797 175.818 176.600 0.025 0.000 1.032 694 K CA -0.380 55.920 56.287 0.023 0.000 0.958 694 K CB 1.192 33.700 32.500 0.013 0.000 0.978 694 K HN 0.525 nan 8.250 nan 0.000 0.472 695 V N 5.166 125.115 119.914 0.058 0.000 2.304 695 V HA 0.035 4.155 4.120 -0.001 0.000 0.262 695 V C 0.392 176.528 176.094 0.069 0.000 1.061 695 V CA -0.434 61.904 62.300 0.063 0.000 0.872 695 V CB 0.630 32.506 31.823 0.088 0.000 1.077 695 V HN 0.869 nan 8.190 nan 0.000 0.480 696 D N 3.585 123.999 120.400 0.025 0.000 2.789 696 D HA 0.193 4.832 4.640 -0.001 0.000 0.258 696 D C 1.510 177.791 176.300 -0.032 0.000 1.215 696 D CA 0.193 54.187 54.000 -0.010 0.000 1.113 696 D CB 0.652 41.431 40.800 -0.035 0.000 0.953 696 D HN 0.324 nan 8.370 nan 0.000 0.252 697 K N -0.576 119.759 120.400 -0.108 0.000 2.400 697 K HA 0.243 4.563 4.320 -0.001 0.000 0.194 697 K C 0.040 176.649 176.600 0.016 0.000 1.033 697 K CA 0.157 56.336 56.287 -0.181 0.000 1.021 697 K CB 0.589 32.678 32.500 -0.685 0.000 0.808 697 K HN 0.199 nan 8.250 nan 0.000 0.505 698 L N 2.316 123.568 121.223 0.049 0.000 2.334 698 L HA 0.405 4.745 4.340 -0.001 0.000 0.273 698 L C -2.267 174.649 176.870 0.078 0.000 1.013 698 L CA -2.551 52.355 54.840 0.110 0.000 0.816 698 L CB 1.078 43.197 42.059 0.099 0.000 1.278 698 L HN -0.137 nan 8.230 nan 0.000 0.431 699 P HA 0.164 nan 4.420 nan 0.000 0.272 699 P C -1.158 176.148 177.300 0.009 0.000 1.230 699 P CA -0.232 62.900 63.100 0.053 0.000 0.788 699 P CB 0.808 32.553 31.700 0.075 0.000 0.949 700 L N 2.570 123.775 121.223 -0.029 0.000 2.276 700 L HA 0.401 4.741 4.340 -0.001 0.000 0.286 700 L C 0.032 176.855 176.870 -0.078 0.000 1.024 700 L CA -0.698 54.105 54.840 -0.062 0.000 0.826 700 L CB 0.679 42.684 42.059 -0.091 0.000 1.211 700 L HN 0.167 nan 8.230 nan 0.000 0.422 701 I N 5.724 126.265 120.570 -0.049 0.000 2.371 701 I HA 0.395 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0.000 0.543