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 1t5l_1_A DATA FIRST_RESID 1 DATA SEQUENCE VEGRFQLVAP YEPQGDQPQA IAKLVDGLRR GVKHQTLLGA TGTGKTFTIS DATA SEQUENCE NVIAQVNKPT LVIAHNKTLA GQLYSELKEF FPHNAVEYFV SYYDYAQPEA DATA SEQUENCE YVPQTDTYIE KDAKINDEID KLRHSATSAL FERRDVIIVA SVSCIYGLGS DATA SEQUENCE PEEYRELVVS LRVGMEIERN ALLRRLVDIQ YDRNDIDFRR GTFRVRGDVV DATA SEQUENCE EIFPASRDEH CIRVEFFGDE IERIREVDAL TGEVLGEREH VAIFPASHFV DATA SEQUENCE TREEKMRLAI QNIEQELEER LAELRAQGKL LEAQRLEQRT RYDLEMMREM DATA SEQUENCE GFCSGIENYS RHLALRPPGS TPYTLLDYFP DDFLIIVDES HVTLPQLRGM DATA SEQUENCE YNGDRARKQV LVDHGFRLPS ALDNRPLTFE EFEQKINQII YVSATPGPYE DATA SEQUENCE LEHSPGVVEQ IIRPTGLLDP TIDVRPTKGQ IDDLIGEIRE RVERNERTLV DATA SEQUENCE TTLTKKMAED LTDYLKEAGI KVAYLHSEIK TLERIEIIRD LRLGKYDVLV DATA SEQUENCE GINLLREGLD IPEVSLVAIL DADKEGFLRS ERSLIQTIGR AARNANGHVI DATA SEQUENCE MYADTITKSM EIAIQETKRR RAIQEEYNRK HGIVPRTVKK EIRDV 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.079 176.094 -0.026 0.000 1.182 1 V CA 0.000 62.289 62.300 -0.019 0.000 1.235 1 V CB 0.000 31.813 31.823 -0.016 0.000 1.184 2 E N 1.808 121.989 120.200 -0.031 0.000 2.283 2 E HA 0.638 4.988 4.350 -0.000 0.000 0.271 2 E C 0.635 177.198 176.600 -0.063 0.000 1.031 2 E CA -0.247 56.124 56.400 -0.047 0.000 0.868 2 E CB 1.786 31.453 29.700 -0.054 0.000 1.094 2 E HN 1.047 nan 8.360 nan 0.000 0.401 3 G N 2.758 111.507 108.800 -0.085 0.000 2.394 3 G HA2 0.152 4.112 3.960 -0.000 0.000 0.298 3 G HA3 0.152 4.112 3.960 -0.000 0.000 0.298 3 G C -0.348 174.433 174.900 -0.199 0.000 1.087 3 G CA -0.303 44.731 45.100 -0.109 0.000 1.035 3 G HN 0.399 nan 8.290 nan 0.000 0.420 4 R N 2.064 122.466 120.500 -0.163 0.000 2.720 4 R HA 0.514 4.854 4.340 -0.000 0.000 0.272 4 R C -0.992 175.205 176.300 -0.171 0.000 0.991 4 R CA -0.933 55.041 56.100 -0.210 0.000 1.010 4 R CB 1.229 31.490 30.300 -0.064 0.000 1.141 4 R HN 0.244 nan 8.270 nan 0.000 0.494 5 F N 0.983 120.954 119.950 0.035 0.000 2.529 5 F HA 0.096 4.623 4.527 0.000 0.000 0.365 5 F C 0.703 176.625 175.800 0.203 0.000 1.102 5 F CA 0.133 58.190 58.000 0.096 0.000 1.271 5 F CB 0.844 39.848 39.000 0.007 0.000 1.120 5 F HN 0.343 nan 8.300 nan 0.000 0.579 6 Q N 3.596 123.695 119.800 0.499 0.000 2.401 6 Q HA 0.335 4.675 4.340 -0.000 0.000 0.260 6 Q C -1.174 175.034 176.000 0.346 0.000 1.034 6 Q CA -0.963 55.033 55.803 0.321 0.000 0.737 6 Q CB 1.849 30.688 28.738 0.168 0.000 1.227 6 Q HN 0.526 nan 8.270 nan 0.000 0.488 7 L N 3.495 124.833 121.223 0.191 0.000 2.313 7 L HA 0.319 4.659 4.340 -0.000 0.000 0.282 7 L C -1.056 175.750 176.870 -0.107 0.000 1.092 7 L CA -0.090 54.648 54.840 -0.170 0.000 0.831 7 L CB 0.997 42.919 42.059 -0.229 0.000 1.159 7 L HN 0.323 nan 8.230 nan 0.000 0.442 8 V N 6.175 126.017 119.914 -0.121 0.000 2.277 8 V HA 0.731 4.851 4.120 -0.000 0.000 0.269 8 V C 0.332 176.384 176.094 -0.071 0.000 1.036 8 V CA -0.090 62.191 62.300 -0.032 0.000 0.821 8 V CB 0.288 32.148 31.823 0.062 0.000 1.052 8 V HN 0.950 nan 8.190 nan 0.000 0.462 9 A N 6.526 129.255 122.820 -0.152 0.000 2.343 9 A HA 0.834 5.154 4.320 -0.000 0.000 0.308 9 A C -1.280 176.071 177.584 -0.389 0.000 1.092 9 A CA -1.437 50.368 52.037 -0.386 0.000 0.751 9 A CB 1.563 20.227 19.000 -0.560 0.000 1.203 9 A HN 0.553 nan 8.150 nan 0.000 0.452 10 P HA -0.070 nan 4.420 nan 0.000 0.225 10 P C 0.002 177.211 177.300 -0.151 0.000 1.148 10 P CA 1.387 64.355 63.100 -0.220 0.000 0.779 10 P CB -0.266 31.356 31.700 -0.130 0.000 0.780 11 Y N -1.858 118.374 120.300 -0.113 0.000 2.654 11 Y HA 0.777 5.327 4.550 0.000 0.000 0.328 11 Y C 0.636 176.533 175.900 -0.005 0.000 1.174 11 Y CA -1.576 56.461 58.100 -0.106 0.000 1.293 11 Y CB 0.255 38.592 38.460 -0.205 0.000 1.464 11 Y HN -0.337 nan 8.280 nan 0.000 0.559 12 E N 0.706 121.080 120.200 0.290 0.000 2.339 12 E HA 0.419 4.769 4.350 -0.000 0.000 0.262 12 E C -2.760 174.085 176.600 0.408 0.000 0.934 12 E CA -2.453 54.115 56.400 0.280 0.000 0.802 12 E CB 2.087 31.883 29.700 0.160 0.000 1.275 12 E HN 0.463 nan 8.360 nan 0.000 0.427 13 P HA 0.110 nan 4.420 nan 0.000 0.275 13 P C -1.048 176.351 177.300 0.166 0.000 1.228 13 P CA 0.022 63.310 63.100 0.312 0.000 0.786 13 P CB 0.945 32.693 31.700 0.079 0.000 0.927 14 Q N 0.519 120.390 119.800 0.119 0.000 2.534 14 Q HA 0.585 4.925 4.340 -0.000 0.000 0.290 14 Q C -0.012 175.980 176.000 -0.014 0.000 0.991 14 Q CA -0.619 55.214 55.803 0.050 0.000 0.783 14 Q CB 1.278 30.039 28.738 0.038 0.000 1.470 14 Q HN 0.645 nan 8.270 nan 0.000 0.406 15 G N 2.170 110.940 108.800 -0.050 0.000 2.596 15 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.258 15 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.258 15 G C -0.155 174.623 174.900 -0.203 0.000 1.207 15 G CA 0.470 45.429 45.100 -0.235 0.000 0.954 15 G HN 1.005 nan 8.290 nan 0.000 0.551 16 D N 0.681 120.954 120.400 -0.210 0.000 2.402 16 D HA 0.221 4.861 4.640 -0.000 0.000 0.216 16 D C 1.715 177.982 176.300 -0.055 0.000 1.128 16 D CA 0.718 54.655 54.000 -0.105 0.000 0.833 16 D CB 0.063 40.795 40.800 -0.114 0.000 0.971 16 D HN 0.656 nan 8.370 nan 0.000 0.503 17 Q N 0.468 120.239 119.800 -0.049 0.000 1.948 17 Q HA -0.085 4.255 4.340 -0.000 0.000 0.205 17 Q C -0.598 175.384 176.000 -0.029 0.000 0.992 17 Q CA 1.890 57.675 55.803 -0.029 0.000 0.849 17 Q CB -1.046 27.694 28.738 0.003 0.000 0.918 17 Q HN 0.233 nan 8.270 nan 0.000 0.421 18 P HA -0.302 nan 4.420 nan 0.000 0.220 18 P C 1.135 178.430 177.300 -0.009 0.000 1.155 18 P CA 1.712 64.807 63.100 -0.008 0.000 0.880 18 P CB -0.187 31.525 31.700 0.020 0.000 0.790 19 Q N -0.408 119.393 119.800 0.001 0.000 2.119 19 Q HA -0.139 4.201 4.340 -0.000 0.000 0.201 19 Q C 1.963 177.958 176.000 -0.008 0.000 0.972 19 Q CA 2.114 57.919 55.803 0.004 0.000 0.847 19 Q CB -0.800 27.949 28.738 0.019 0.000 0.903 19 Q HN 0.158 nan 8.270 nan 0.000 0.433 20 A N 1.099 123.908 122.820 -0.018 0.000 1.897 20 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 20 A C 2.240 179.803 177.584 -0.035 0.000 1.181 20 A CA 1.061 53.084 52.037 -0.023 0.000 0.620 20 A CB -0.598 18.387 19.000 -0.025 0.000 0.821 20 A HN 0.403 nan 8.150 nan 0.000 0.443 21 I N -0.066 120.472 120.570 -0.053 0.000 2.127 21 I HA -0.337 3.833 4.170 -0.000 0.000 0.241 21 I C 3.025 179.112 176.117 -0.050 0.000 1.075 21 I CA 1.241 62.498 61.300 -0.073 0.000 1.334 21 I CB -0.377 37.561 38.000 -0.102 0.000 1.040 21 I HN 0.365 nan 8.210 nan 0.000 0.405 22 A N 0.693 123.492 122.820 -0.035 0.000 1.892 22 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 22 A C 2.286 179.859 177.584 -0.019 0.000 1.188 22 A CA 2.165 54.188 52.037 -0.023 0.000 0.631 22 A CB -0.594 18.400 19.000 -0.011 0.000 0.822 22 A HN 0.327 nan 8.150 nan 0.000 0.447 23 K N -0.412 119.978 120.400 -0.016 0.000 2.026 23 K HA -0.036 4.284 4.320 -0.000 0.000 0.208 23 K C 1.850 178.440 176.600 -0.018 0.000 1.048 23 K CA 1.570 57.850 56.287 -0.011 0.000 0.929 23 K CB -0.399 32.098 32.500 -0.005 0.000 0.713 23 K HN 0.479 nan 8.250 nan 0.000 0.439 24 L N 0.317 121.525 121.223 -0.025 0.000 2.141 24 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 24 L C 2.231 179.075 176.870 -0.042 0.000 1.094 24 L CA 0.645 55.464 54.840 -0.035 0.000 0.763 24 L CB -0.331 41.703 42.059 -0.042 0.000 0.908 24 L HN 0.020 nan 8.230 nan 0.000 0.437 25 V N -0.001 119.889 119.914 -0.040 0.000 2.379 25 V HA -0.291 3.829 4.120 -0.000 0.000 0.245 25 V C 2.140 178.218 176.094 -0.027 0.000 1.044 25 V CA 2.140 64.418 62.300 -0.037 0.000 1.036 25 V CB -0.318 31.484 31.823 -0.036 0.000 0.664 25 V HN 0.483 nan 8.190 nan 0.000 0.453 26 D N 0.058 120.445 120.400 -0.022 0.000 2.117 26 D HA -0.082 4.558 4.640 -0.000 0.000 0.198 26 D C 2.162 178.451 176.300 -0.018 0.000 0.982 26 D CA 1.432 55.422 54.000 -0.016 0.000 0.828 26 D CB -0.372 40.422 40.800 -0.010 0.000 0.967 26 D HN 0.314 nan 8.370 nan 0.000 0.464 27 G N 0.896 109.684 108.800 -0.020 0.000 2.587 27 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 27 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 27 G C 1.706 176.587 174.900 -0.032 0.000 1.240 27 G CA 0.993 46.081 45.100 -0.022 0.000 0.794 27 G HN 0.365 nan 8.290 nan 0.000 0.580 28 L N -0.269 120.927 121.223 -0.046 0.000 2.137 28 L HA -0.169 4.171 4.340 -0.000 0.000 0.213 28 L C 3.195 180.040 176.870 -0.040 0.000 1.085 28 L CA 1.404 56.210 54.840 -0.057 0.000 0.760 28 L CB -0.291 41.728 42.059 -0.065 0.000 0.893 28 L HN 0.209 nan 8.230 nan 0.000 0.434 29 R N -0.850 119.633 120.500 -0.028 0.000 2.075 29 R HA -0.055 4.285 4.340 -0.000 0.000 0.226 29 R C 2.413 178.704 176.300 -0.016 0.000 1.114 29 R CA 0.686 56.775 56.100 -0.018 0.000 0.972 29 R CB -0.136 30.157 30.300 -0.012 0.000 0.869 29 R HN 0.190 nan 8.270 nan 0.000 0.437 30 R N -0.453 120.038 120.500 -0.015 0.000 2.152 30 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 30 R C 0.506 176.797 176.300 -0.014 0.000 1.117 30 R CA 1.262 57.355 56.100 -0.011 0.000 0.981 30 R CB 0.143 30.438 30.300 -0.009 0.000 0.870 30 R HN 0.476 nan 8.270 nan 0.000 0.451 31 G N -0.228 108.558 108.800 -0.023 0.000 2.151 31 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.156 31 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.156 31 G C -0.163 174.717 174.900 -0.032 0.000 1.017 31 G CA -0.168 44.915 45.100 -0.029 0.000 0.686 31 G HN 0.129 nan 8.290 nan 0.000 0.503 32 V N 0.723 120.618 119.914 -0.031 0.000 2.655 32 V HA 0.181 4.301 4.120 -0.000 0.000 0.300 32 V C 1.888 177.951 176.094 -0.052 0.000 1.044 32 V CA 1.280 63.569 62.300 -0.019 0.000 1.095 32 V CB 1.509 33.329 31.823 -0.005 0.000 0.952 32 V HN 0.483 nan 8.190 nan 0.000 0.485 33 K N 3.024 123.408 120.400 -0.027 0.000 2.007 33 K HA -0.007 4.313 4.320 -0.000 0.000 0.206 33 K C 0.487 176.932 176.600 -0.259 0.000 1.047 33 K CA 0.961 57.172 56.287 -0.127 0.000 0.937 33 K CB 0.109 32.589 32.500 -0.034 0.000 0.718 33 K HN 0.777 nan 8.250 nan 0.000 0.438 34 H N 0.604 119.669 119.070 -0.008 0.000 2.539 34 H HA 0.300 4.856 4.556 0.000 0.000 0.332 34 H C -0.776 174.582 175.328 0.050 0.000 1.031 34 H CA -0.530 55.541 56.048 0.038 0.000 1.206 34 H CB 1.671 31.553 29.762 0.201 0.000 1.446 34 H HN 0.209 nan 8.280 nan 0.000 0.496 35 Q N 1.373 121.229 119.800 0.095 0.000 2.423 35 Q HA 0.402 4.742 4.340 -0.000 0.000 0.278 35 Q C -0.847 175.252 176.000 0.166 0.000 1.097 35 Q CA -0.892 54.971 55.803 0.100 0.000 0.809 35 Q CB 3.060 31.805 28.738 0.012 0.000 1.391 35 Q HN 0.484 nan 8.270 nan 0.000 0.428 36 T N 1.879 116.544 114.554 0.185 0.000 2.809 36 T HA 0.340 4.690 4.350 -0.000 0.000 0.284 36 T C -1.208 173.563 174.700 0.118 0.000 0.992 36 T CA -0.510 61.721 62.100 0.218 0.000 0.957 36 T CB 0.694 69.695 68.868 0.221 0.000 0.942 36 T HN 0.263 nan 8.240 nan 0.000 0.439 37 L N 5.231 126.520 121.223 0.109 0.000 2.288 37 L HA 0.506 4.846 4.340 -0.000 0.000 0.283 37 L C -0.426 176.488 176.870 0.074 0.000 1.072 37 L CA -0.592 54.289 54.840 0.068 0.000 0.862 37 L CB 0.118 42.207 42.059 0.050 0.000 1.245 37 L HN 0.645 nan 8.230 nan 0.000 0.432 38 L N 5.356 126.612 121.223 0.054 0.000 2.454 38 L HA 0.568 4.908 4.340 -0.000 0.000 0.284 38 L C 0.332 177.216 176.870 0.023 0.000 1.139 38 L CA 0.016 54.879 54.840 0.038 0.000 0.911 38 L CB -0.064 42.009 42.059 0.023 0.000 1.262 38 L HN 0.763 nan 8.230 nan 0.000 0.453 39 G N 3.867 112.685 108.800 0.029 0.000 2.544 39 G HA2 0.652 4.612 3.960 -0.000 0.000 0.313 39 G HA3 0.652 4.612 3.960 -0.000 0.000 0.313 39 G C -0.507 174.402 174.900 0.015 0.000 1.316 39 G CA -0.260 44.852 45.100 0.020 0.000 0.944 39 G HN 0.843 nan 8.290 nan 0.000 0.489 40 A N 2.016 124.835 122.820 -0.002 0.000 2.366 40 A HA 0.641 4.961 4.320 -0.000 0.000 0.249 40 A C 1.033 178.621 177.584 0.007 0.000 1.084 40 A CA 0.136 52.169 52.037 -0.006 0.000 0.794 40 A CB 0.437 19.425 19.000 -0.020 0.000 1.034 40 A HN 0.930 nan 8.150 nan 0.000 0.491 41 T N -0.254 114.306 114.554 0.010 0.000 2.903 41 T HA 0.424 4.774 4.350 -0.000 0.000 0.314 41 T C 1.497 176.205 174.700 0.012 0.000 1.078 41 T CA 1.573 63.687 62.100 0.022 0.000 1.114 41 T CB 0.081 68.963 68.868 0.023 0.000 0.987 41 T HN 2.333 nan 8.240 nan 0.000 0.548 42 G N 2.407 111.218 108.800 0.018 0.000 2.225 42 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.254 42 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.254 42 G C 0.453 175.347 174.900 -0.009 0.000 0.988 42 G CA 0.733 45.835 45.100 0.003 0.000 0.625 42 G HN 1.168 nan 8.290 nan 0.000 0.527 43 T N -0.294 114.260 114.554 -0.001 0.000 2.902 43 T HA 0.571 4.921 4.350 -0.000 0.000 0.280 43 T C 1.148 175.871 174.700 0.039 0.000 0.992 43 T CA 0.783 62.880 62.100 -0.005 0.000 1.015 43 T CB 1.301 70.160 68.868 -0.015 0.000 1.044 43 T HN 1.327 nan 8.240 nan 0.000 0.520 44 G N 2.790 111.630 108.800 0.067 0.000 3.008 44 G HA2 0.184 4.144 3.960 -0.000 0.000 0.272 44 G HA3 0.184 4.144 3.960 -0.000 0.000 0.272 44 G C 0.800 175.806 174.900 0.176 0.000 0.764 44 G CA -0.406 44.791 45.100 0.163 0.000 2.029 44 G HN 0.875 nan 8.290 nan 0.000 0.587 45 K N 0.512 120.993 120.400 0.135 0.000 1.991 45 K HA -0.107 4.213 4.320 -0.000 0.000 0.212 45 K C 2.726 179.411 176.600 0.142 0.000 1.049 45 K CA 1.945 58.300 56.287 0.113 0.000 0.932 45 K CB -0.136 32.428 32.500 0.107 0.000 0.717 45 K HN 0.332 nan 8.250 nan 0.000 0.441 46 T N 0.791 115.471 114.554 0.211 0.000 2.759 46 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 46 T C 1.438 176.337 174.700 0.331 0.000 1.042 46 T CA 1.343 63.611 62.100 0.279 0.000 1.140 46 T CB -0.305 68.764 68.868 0.335 0.000 0.864 46 T HN 0.196 nan 8.240 nan 0.000 0.455 47 F N 1.524 121.573 119.950 0.165 0.000 2.456 47 F HA 0.043 4.570 4.527 -0.000 0.000 0.298 47 F C 2.255 178.001 175.800 -0.090 0.000 1.104 47 F CA 0.733 58.687 58.000 -0.077 0.000 1.435 47 F CB -0.521 38.492 39.000 0.021 0.000 1.078 47 F HN 0.016 nan 8.300 nan 0.000 0.546 48 T N 0.480 114.950 114.554 -0.140 0.000 2.896 48 T HA -0.022 4.328 4.350 -0.000 0.000 0.263 48 T C 2.105 176.700 174.700 -0.176 0.000 1.050 48 T CA 1.466 63.437 62.100 -0.215 0.000 1.140 48 T CB -0.161 68.667 68.868 -0.067 0.000 0.877 48 T HN 0.198 nan 8.240 nan 0.000 0.457 49 I N 0.928 121.455 120.570 -0.073 0.000 2.286 49 I HA -0.111 4.059 4.170 -0.000 0.000 0.245 49 I C 2.490 178.571 176.117 -0.061 0.000 1.104 49 I CA 0.793 62.065 61.300 -0.047 0.000 1.397 49 I CB -0.078 37.929 38.000 0.012 0.000 1.072 49 I HN 0.123 nan 8.210 nan 0.000 0.417 50 S N 0.684 116.365 115.700 -0.030 0.000 2.402 50 S HA -0.196 4.274 4.470 -0.000 0.000 0.233 50 S C 1.754 176.299 174.600 -0.091 0.000 1.030 50 S CA 1.279 59.500 58.200 0.035 0.000 1.003 50 S CB -0.473 62.682 63.200 -0.074 0.000 0.813 50 S HN 0.476 nan 8.310 nan 0.000 0.477 51 N N 0.700 119.221 118.700 -0.299 0.000 2.300 51 N HA 0.024 4.764 4.740 -0.000 0.000 0.179 51 N C 1.673 177.094 175.510 -0.150 0.000 1.016 51 N CA 0.677 53.556 53.050 -0.286 0.000 0.876 51 N CB -0.096 38.131 38.487 -0.433 0.000 0.979 51 N HN 0.221 nan 8.380 nan 0.000 0.432 52 V N 2.033 121.866 119.914 -0.135 0.000 2.244 52 V HA -0.161 3.959 4.120 -0.000 0.000 0.244 52 V C 2.352 178.389 176.094 -0.096 0.000 1.042 52 V CA 1.157 63.396 62.300 -0.101 0.000 1.006 52 V CB -0.303 31.462 31.823 -0.096 0.000 0.641 52 V HN 0.167 nan 8.190 nan 0.000 0.446 53 I N 0.476 120.963 120.570 -0.140 0.000 2.118 53 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 53 I C 2.691 178.648 176.117 -0.267 0.000 1.070 53 I CA 1.784 62.925 61.300 -0.265 0.000 1.327 53 I CB -0.682 37.043 38.000 -0.458 0.000 1.034 53 I HN 0.321 nan 8.210 nan 0.000 0.405 54 A N -0.132 122.614 122.820 -0.123 0.000 1.908 54 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 54 A C 2.261 179.935 177.584 0.150 0.000 1.181 54 A CA 1.827 53.931 52.037 0.112 0.000 0.627 54 A CB -0.687 18.482 19.000 0.281 0.000 0.818 54 A HN 0.501 nan 8.150 nan 0.000 0.445 55 Q N -0.751 119.082 119.800 0.056 0.000 2.230 55 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 55 Q C 1.967 178.000 176.000 0.054 0.000 0.963 55 Q CA 1.604 57.434 55.803 0.045 0.000 0.866 55 Q CB -0.122 28.616 28.738 -0.000 0.000 0.931 55 Q HN 0.756 nan 8.270 nan 0.000 0.452 56 V N -3.049 116.896 119.914 0.052 0.000 3.590 56 V HA 0.097 4.217 4.120 -0.000 0.000 0.265 56 V C 0.178 176.340 176.094 0.113 0.000 1.239 56 V CA -0.012 62.320 62.300 0.054 0.000 1.117 56 V CB -0.107 31.721 31.823 0.008 0.000 0.818 56 V HN 0.328 nan 8.190 nan 0.000 0.451 57 N N 1.587 120.429 118.700 0.236 0.000 2.688 57 N HA -0.192 4.548 4.740 -0.000 0.000 0.258 57 N C -0.219 175.434 175.510 0.239 0.000 1.016 57 N CA 1.140 54.378 53.050 0.315 0.000 0.747 57 N CB -0.744 37.809 38.487 0.109 0.000 0.895 57 N HN 0.710 nan 8.380 nan 0.000 0.543 58 K N 0.440 121.043 120.400 0.340 0.000 2.259 58 K HA 0.446 4.766 4.320 -0.000 0.000 0.252 58 K C -2.466 174.316 176.600 0.304 0.000 0.936 58 K CA -1.869 54.548 56.287 0.217 0.000 0.810 58 K CB 1.812 34.374 32.500 0.102 0.000 1.143 58 K HN -0.161 nan 8.250 nan 0.000 0.427 59 P HA -0.026 nan 4.420 nan 0.000 0.266 59 P C -1.072 176.413 177.300 0.308 0.000 1.195 59 P CA 0.020 63.325 63.100 0.341 0.000 0.768 59 P CB 0.522 32.437 31.700 0.357 0.000 0.838 60 T N 0.601 115.328 114.554 0.289 0.000 2.916 60 T HA 0.584 4.934 4.350 -0.000 0.000 0.298 60 T C -0.981 173.738 174.700 0.032 0.000 1.031 60 T CA -0.858 61.270 62.100 0.047 0.000 0.993 60 T CB 1.069 69.912 68.868 -0.040 0.000 1.045 60 T HN 0.154 nan 8.240 nan 0.000 0.454 61 L N 3.004 124.091 121.223 -0.227 0.000 2.307 61 L HA 0.831 5.171 4.340 -0.000 0.000 0.284 61 L C -0.711 176.112 176.870 -0.077 0.000 1.023 61 L CA -0.866 53.884 54.840 -0.151 0.000 0.810 61 L CB 1.544 43.385 42.059 -0.362 0.000 1.231 61 L HN 0.776 nan 8.230 nan 0.000 0.423 62 V N 6.844 126.765 119.914 0.012 0.000 2.483 62 V HA 0.587 4.707 4.120 -0.000 0.000 0.297 62 V C -0.690 175.432 176.094 0.047 0.000 1.027 62 V CA -0.444 61.872 62.300 0.028 0.000 0.855 62 V CB 1.568 33.427 31.823 0.059 0.000 0.995 62 V HN 0.675 nan 8.190 nan 0.000 0.424 63 I N 6.809 127.404 120.570 0.042 0.000 2.354 63 I HA 0.786 4.956 4.170 -0.000 0.000 0.292 63 I C 0.436 176.599 176.117 0.077 0.000 0.989 63 I CA -0.418 60.907 61.300 0.041 0.000 1.188 63 I CB 1.571 39.583 38.000 0.019 0.000 1.342 63 I HN 0.783 nan 8.210 nan 0.000 0.457 64 A N 3.892 126.759 122.820 0.078 0.000 2.346 64 A HA 0.584 4.904 4.320 -0.000 0.000 0.313 64 A C -0.006 177.656 177.584 0.130 0.000 1.140 64 A CA -0.575 51.533 52.037 0.118 0.000 0.826 64 A CB 0.776 19.829 19.000 0.089 0.000 1.332 64 A HN 0.934 nan 8.150 nan 0.000 0.457 65 H N -0.901 118.190 119.070 0.035 0.000 2.594 65 H HA 0.425 4.981 4.556 0.000 0.000 0.279 65 H C -0.150 175.210 175.328 0.053 0.000 1.042 65 H CA 0.295 56.362 56.048 0.033 0.000 1.177 65 H CB -0.043 29.724 29.762 0.007 0.000 1.524 65 H HN 0.632 nan 8.280 nan 0.000 0.537 66 N N -1.472 117.070 118.700 -0.264 0.000 3.185 66 N HA 0.050 4.790 4.740 -0.000 0.000 0.238 66 N C 0.015 175.425 175.510 -0.167 0.000 1.451 66 N CA -1.041 51.868 53.050 -0.235 0.000 0.888 66 N CB 1.145 39.445 38.487 -0.312 0.000 1.413 66 N HN -0.088 nan 8.380 nan 0.000 0.511 67 K N -0.249 120.034 120.400 -0.194 0.000 2.063 67 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 67 K C 0.859 177.481 176.600 0.036 0.000 1.048 67 K CA 2.423 58.661 56.287 -0.082 0.000 0.928 67 K CB -0.660 31.762 32.500 -0.129 0.000 0.713 67 K HN 0.747 nan 8.250 nan 0.000 0.442 68 T N 2.388 116.953 114.554 0.018 0.000 2.595 68 T HA -0.162 4.188 4.350 -0.000 0.000 0.264 68 T C 2.032 176.762 174.700 0.050 0.000 1.058 68 T CA 1.524 63.651 62.100 0.045 0.000 1.166 68 T CB -0.353 68.534 68.868 0.033 0.000 0.863 68 T HN 0.164 nan 8.240 nan 0.000 0.415 69 L N 0.781 122.007 121.223 0.005 0.000 2.042 69 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 69 L C 3.121 180.054 176.870 0.105 0.000 1.076 69 L CA 1.328 56.193 54.840 0.041 0.000 0.749 69 L CB -0.795 41.258 42.059 -0.011 0.000 0.893 69 L HN 0.290 nan 8.230 nan 0.000 0.432 70 A N 0.335 123.219 122.820 0.106 0.000 1.902 70 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 70 A C 2.402 180.193 177.584 0.345 0.000 1.181 70 A CA 1.771 53.923 52.037 0.190 0.000 0.623 70 A CB -1.235 17.831 19.000 0.110 0.000 0.818 70 A HN 0.459 nan 8.150 nan 0.000 0.443 71 G N -1.141 107.836 108.800 0.295 0.000 2.418 71 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 71 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 71 G C 1.628 176.646 174.900 0.196 0.000 1.158 71 G CA 1.135 46.374 45.100 0.232 0.000 0.771 71 G HN 0.596 nan 8.290 nan 0.000 0.545 72 Q N -0.477 119.411 119.800 0.147 0.000 2.016 72 Q HA 0.055 4.395 4.340 -0.000 0.000 0.200 72 Q C 2.669 178.740 176.000 0.118 0.000 0.978 72 Q CA 1.034 56.900 55.803 0.104 0.000 0.833 72 Q CB -0.241 28.549 28.738 0.086 0.000 0.895 72 Q HN 0.469 nan 8.270 nan 0.000 0.427 73 L N -0.657 120.667 121.223 0.168 0.000 2.042 73 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 73 L C 2.284 179.286 176.870 0.219 0.000 1.076 73 L CA 1.416 56.368 54.840 0.187 0.000 0.749 73 L CB -0.625 41.557 42.059 0.205 0.000 0.893 73 L HN 0.332 nan 8.230 nan 0.000 0.432 74 Y N 0.448 120.827 120.300 0.133 0.000 2.070 74 Y HA -0.359 4.191 4.550 -0.000 0.000 0.280 74 Y C 2.992 178.921 175.900 0.047 0.000 1.148 74 Y CA 1.738 59.915 58.100 0.128 0.000 1.125 74 Y CB -0.679 37.857 38.460 0.127 0.000 0.975 74 Y HN 0.230 nan 8.280 nan 0.000 0.492 75 S N -0.498 115.127 115.700 -0.125 0.000 2.402 75 S HA -0.188 4.282 4.470 -0.000 0.000 0.229 75 S C 1.926 176.385 174.600 -0.234 0.000 1.021 75 S CA 1.443 59.480 58.200 -0.272 0.000 0.974 75 S CB -0.542 62.578 63.200 -0.133 0.000 0.800 75 S HN 0.686 nan 8.310 nan 0.000 0.484 76 E N 0.499 120.600 120.200 -0.165 0.000 2.028 76 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 76 E C 2.123 178.525 176.600 -0.330 0.000 0.988 76 E CA 1.488 57.708 56.400 -0.300 0.000 0.799 76 E CB -0.283 29.319 29.700 -0.164 0.000 0.755 76 E HN 0.516 nan 8.360 nan 0.000 0.447 77 L N 0.885 122.099 121.223 -0.015 0.000 2.131 77 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 77 L C 2.531 179.522 176.870 0.201 0.000 1.092 77 L CA 1.045 56.029 54.840 0.240 0.000 0.759 77 L CB -0.191 42.064 42.059 0.327 0.000 0.903 77 L HN 0.013 nan 8.230 nan 0.000 0.435 78 K N 0.041 120.423 120.400 -0.031 0.000 2.283 78 K HA -0.165 4.155 4.320 -0.000 0.000 0.202 78 K C 1.777 178.326 176.600 -0.085 0.000 1.048 78 K CA 1.132 57.366 56.287 -0.090 0.000 0.948 78 K CB 0.163 32.455 32.500 -0.347 0.000 0.742 78 K HN 0.399 nan 8.250 nan 0.000 0.458 79 E N -0.849 119.246 120.200 -0.175 0.000 2.190 79 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 79 E C 1.391 177.935 176.600 -0.094 0.000 0.978 79 E CA 0.439 56.723 56.400 -0.193 0.000 0.839 79 E CB 0.120 29.627 29.700 -0.322 0.000 0.787 79 E HN 0.195 nan 8.360 nan 0.000 0.473 80 F N -0.475 119.396 119.950 -0.131 0.000 2.456 80 F HA 0.102 4.628 4.527 -0.000 0.000 0.298 80 F C 0.685 176.116 175.800 -0.616 0.000 1.104 80 F CA 0.545 58.329 58.000 -0.360 0.000 1.435 80 F CB 0.196 38.951 39.000 -0.409 0.000 1.078 80 F HN -0.113 nan 8.300 nan 0.000 0.546 81 F N 0.269 120.366 119.950 0.244 0.000 2.566 81 F HA 0.281 4.808 4.527 -0.000 0.000 0.352 81 F C -1.776 174.105 175.800 0.135 0.000 1.534 81 F CA -1.323 56.807 58.000 0.216 0.000 1.097 81 F CB 0.561 39.700 39.000 0.230 0.000 1.488 81 F HN -0.257 nan 8.300 nan 0.000 0.562 82 P HA -0.127 nan 4.420 nan 0.000 0.229 82 P C 0.735 177.965 177.300 -0.116 0.000 1.160 82 P CA 1.486 64.556 63.100 -0.050 0.000 0.777 82 P CB 0.075 31.642 31.700 -0.221 0.000 0.814 83 H N -1.076 118.086 119.070 0.154 0.000 2.529 83 H HA 0.284 4.840 4.556 -0.000 0.000 0.277 83 H C 0.156 175.561 175.328 0.129 0.000 1.004 83 H CA -0.115 56.005 56.048 0.120 0.000 1.167 83 H CB 0.063 29.887 29.762 0.103 0.000 1.445 83 H HN 0.297 nan 8.280 nan 0.000 0.554 84 N N 0.175 119.035 118.700 0.267 0.000 2.545 84 N HA 0.468 5.208 4.740 -0.000 0.000 0.289 84 N C -0.745 174.866 175.510 0.167 0.000 1.279 84 N CA -0.724 52.448 53.050 0.203 0.000 0.824 84 N CB 1.348 39.992 38.487 0.261 0.000 1.395 84 N HN 0.053 nan 8.380 nan 0.000 0.526 85 A N 0.749 123.646 122.820 0.129 0.000 2.527 85 A HA 0.361 4.681 4.320 -0.000 0.000 0.313 85 A C -0.570 177.117 177.584 0.172 0.000 1.410 85 A CA -0.386 51.728 52.037 0.128 0.000 1.060 85 A CB -0.592 18.459 19.000 0.084 0.000 1.137 85 A HN 0.409 nan 8.150 nan 0.000 0.542 86 V N 4.619 124.654 119.914 0.202 0.000 2.385 86 V HA 0.248 4.368 4.120 -0.000 0.000 0.269 86 V C 0.032 176.343 176.094 0.362 0.000 1.043 86 V CA -0.302 62.152 62.300 0.256 0.000 0.906 86 V CB 0.859 32.814 31.823 0.220 0.000 0.995 86 V HN 0.874 nan 8.190 nan 0.000 0.467 87 E N 3.320 123.727 120.200 0.345 0.000 2.249 87 E HA 0.465 4.815 4.350 -0.000 0.000 0.263 87 E C -1.486 175.298 176.600 0.307 0.000 0.950 87 E CA -0.753 55.837 56.400 0.318 0.000 0.827 87 E CB 2.832 32.639 29.700 0.179 0.000 1.220 87 E HN 0.557 nan 8.360 nan 0.000 0.411 88 Y N 0.678 120.960 120.300 -0.030 0.000 2.346 88 Y HA 0.401 4.951 4.550 -0.000 0.000 0.332 88 Y C -1.742 174.130 175.900 -0.047 0.000 0.985 88 Y CA -1.087 56.883 58.100 -0.217 0.000 1.112 88 Y CB 0.982 38.997 38.460 -0.742 0.000 1.170 88 Y HN 0.459 nan 8.280 nan 0.000 0.447 89 F N 8.257 127.903 119.950 -0.507 0.000 2.532 89 F HA 0.604 5.131 4.527 -0.000 0.000 0.365 89 F C -1.098 174.428 175.800 -0.456 0.000 1.112 89 F CA -0.671 57.096 58.000 -0.389 0.000 1.082 89 F CB 0.367 39.211 39.000 -0.261 0.000 1.319 89 F HN 0.344 nan 8.300 nan 0.000 0.457 90 V N 1.263 120.781 119.914 -0.659 0.000 3.145 90 V HA 0.942 5.062 4.120 -0.000 0.000 0.311 90 V C -0.419 175.423 176.094 -0.420 0.000 1.238 90 V CA -0.176 61.857 62.300 -0.445 0.000 1.066 90 V CB 1.242 32.855 31.823 -0.351 0.000 1.144 90 V HN 0.654 nan 8.190 nan 0.000 0.465 91 S N -1.975 113.631 115.700 -0.157 0.000 2.880 91 S HA 0.508 4.978 4.470 -0.000 0.000 0.308 91 S C 0.562 175.249 174.600 0.146 0.000 1.195 91 S CA -0.154 58.040 58.200 -0.009 0.000 0.866 91 S CB 0.734 63.975 63.200 0.067 0.000 1.254 91 S HN 0.868 nan 8.310 nan 0.000 0.571 92 Y N 1.190 121.544 120.300 0.090 0.000 1.997 92 Y HA -0.316 4.234 4.550 -0.000 0.000 0.265 92 Y C 2.437 178.398 175.900 0.102 0.000 1.193 92 Y CA 2.997 61.157 58.100 0.099 0.000 1.106 92 Y CB -1.153 37.386 38.460 0.132 0.000 0.940 92 Y HN 0.834 nan 8.280 nan 0.000 0.494 93 Y N 1.691 122.139 120.300 0.246 0.000 2.271 93 Y HA -0.363 4.187 4.550 -0.000 0.000 0.284 93 Y C 2.330 178.212 175.900 -0.030 0.000 1.189 93 Y CA 1.647 59.828 58.100 0.134 0.000 1.229 93 Y CB -0.880 37.721 38.460 0.235 0.000 0.973 93 Y HN 0.442 nan 8.280 nan 0.000 0.537 94 D N 0.114 120.169 120.400 -0.574 0.000 2.157 94 D HA -0.329 4.311 4.640 -0.000 0.000 0.191 94 D C 0.258 175.973 176.300 -0.975 0.000 1.004 94 D CA 2.323 55.798 54.000 -0.875 0.000 0.854 94 D CB -0.752 39.782 40.800 -0.442 0.000 0.936 94 D HN 0.660 nan 8.370 nan 0.000 0.446 95 Y N -0.826 119.311 120.300 -0.271 0.000 3.256 95 Y HA 0.486 5.036 4.550 -0.000 0.000 0.220 95 Y C 0.083 175.881 175.900 -0.170 0.000 0.896 95 Y CA -0.563 57.420 58.100 -0.196 0.000 1.167 95 Y CB 0.560 38.925 38.460 -0.159 0.000 1.267 95 Y HN 0.277 nan 8.280 nan 0.000 0.687 96 A N 1.185 123.967 122.820 -0.063 0.000 2.469 96 A HA 0.763 5.083 4.320 -0.000 0.000 0.299 96 A C -1.117 176.469 177.584 0.004 0.000 1.098 96 A CA -0.788 51.175 52.037 -0.123 0.000 0.737 96 A CB 1.612 20.342 19.000 -0.449 0.000 1.312 96 A HN 0.159 nan 8.150 nan 0.000 0.414 97 Q N 1.564 121.379 119.800 0.024 0.000 2.293 97 Q HA 0.588 4.928 4.340 -0.000 0.000 0.261 97 Q C -2.753 173.351 176.000 0.173 0.000 0.960 97 Q CA -1.650 54.202 55.803 0.081 0.000 0.882 97 Q CB 2.008 30.760 28.738 0.024 0.000 1.275 97 Q HN 0.503 nan 8.270 nan 0.000 0.445 98 P HA 0.155 nan 4.420 nan 0.000 0.297 98 P C -0.656 176.660 177.300 0.026 0.000 1.303 98 P CA -0.411 62.757 63.100 0.114 0.000 0.753 98 P CB 0.710 32.441 31.700 0.051 0.000 1.281 99 E N -0.527 119.664 120.200 -0.014 0.000 2.360 99 E HA 0.433 4.783 4.350 -0.000 0.000 0.269 99 E C -0.926 175.662 176.600 -0.020 0.000 1.022 99 E CA -0.378 56.005 56.400 -0.029 0.000 0.887 99 E CB 0.102 29.814 29.700 0.021 0.000 0.990 99 E HN 0.552 nan 8.360 nan 0.000 0.426 100 A N 3.874 126.675 122.820 -0.032 0.000 2.601 100 A HA 0.476 4.796 4.320 -0.000 0.000 0.291 100 A C -2.173 175.438 177.584 0.044 0.000 1.075 100 A CA -0.642 51.392 52.037 -0.004 0.000 0.671 100 A CB 1.144 20.135 19.000 -0.016 0.000 1.277 100 A HN 0.588 nan 8.150 nan 0.000 0.417 101 Y N 0.439 120.663 120.300 -0.126 0.000 2.457 101 Y HA 0.581 5.131 4.550 -0.000 0.000 0.343 101 Y C -1.231 174.614 175.900 -0.091 0.000 0.994 101 Y CA -1.088 56.925 58.100 -0.144 0.000 1.031 101 Y CB 2.218 40.545 38.460 -0.222 0.000 1.246 101 Y HN 0.588 nan 8.280 nan 0.000 0.449 102 V N 9.012 128.565 119.914 -0.602 0.000 2.294 102 V HA 0.278 4.398 4.120 -0.000 0.000 0.272 102 V C -1.987 173.572 176.094 -0.892 0.000 1.027 102 V CA -1.588 60.386 62.300 -0.543 0.000 0.823 102 V CB 1.220 32.882 31.823 -0.268 0.000 1.030 102 V HN 0.714 nan 8.190 nan 0.000 0.457 103 P HA -0.141 nan 4.420 nan 0.000 0.221 103 P C 1.135 178.270 177.300 -0.275 0.000 1.145 103 P CA 1.094 63.850 63.100 -0.573 0.000 0.795 103 P CB 0.389 31.944 31.700 -0.240 0.000 0.775 104 Q N -1.019 118.658 119.800 -0.206 0.000 2.036 104 Q HA -0.048 4.292 4.340 -0.000 0.000 0.195 104 Q C 2.085 178.023 176.000 -0.103 0.000 0.971 104 Q CA 1.890 57.626 55.803 -0.111 0.000 0.826 104 Q CB -1.618 27.074 28.738 -0.077 0.000 0.896 104 Q HN 0.246 nan 8.270 nan 0.000 0.449 105 T N -1.239 113.241 114.554 -0.125 0.000 3.252 105 T HA 0.033 4.383 4.350 -0.000 0.000 0.250 105 T C -0.026 174.627 174.700 -0.077 0.000 1.123 105 T CA 0.416 62.465 62.100 -0.084 0.000 1.006 105 T CB -0.485 68.341 68.868 -0.071 0.000 0.992 105 T HN 0.346 nan 8.240 nan 0.000 0.547 106 D N 1.554 121.879 120.400 -0.126 0.000 2.740 106 D HA -0.155 4.485 4.640 -0.000 0.000 0.231 106 D C -0.538 175.815 176.300 0.089 0.000 1.194 106 D CA 1.292 55.277 54.000 -0.024 0.000 0.673 106 D CB -1.328 39.527 40.800 0.091 0.000 0.995 106 D HN 0.710 nan 8.370 nan 0.000 0.411 107 T N 0.042 114.578 114.554 -0.029 0.000 2.847 107 T HA 0.335 4.685 4.350 -0.000 0.000 0.291 107 T C -0.447 174.396 174.700 0.239 0.000 0.998 107 T CA -0.954 61.209 62.100 0.106 0.000 0.967 107 T CB 1.134 70.008 68.868 0.010 0.000 0.954 107 T HN 0.180 nan 8.240 nan 0.000 0.441 108 Y N 4.485 124.881 120.300 0.161 0.000 2.504 108 Y HA 0.489 5.040 4.550 -0.000 0.000 0.351 108 Y C -0.373 175.503 175.900 -0.040 0.000 0.988 108 Y CA -2.219 55.889 58.100 0.014 0.000 1.239 108 Y CB -0.085 38.342 38.460 -0.056 0.000 1.128 108 Y HN 0.664 nan 8.280 nan 0.000 0.525 109 I N 6.673 127.091 120.570 -0.253 0.000 2.329 109 I HA 0.082 4.252 4.170 -0.000 0.000 0.295 109 I C 0.600 176.355 176.117 -0.603 0.000 1.109 109 I CA -0.022 61.081 61.300 -0.328 0.000 1.297 109 I CB 0.151 38.060 38.000 -0.150 0.000 1.433 109 I HN 0.581 nan 8.210 nan 0.000 0.509 110 E N 5.379 125.150 120.200 -0.716 0.000 2.422 110 E HA -0.039 4.311 4.350 -0.000 0.000 0.260 110 E C 0.961 177.423 176.600 -0.231 0.000 1.108 110 E CA -0.046 55.980 56.400 -0.622 0.000 0.943 110 E CB 0.798 30.270 29.700 -0.381 0.000 0.961 110 E HN 0.437 nan 8.360 nan 0.000 0.443 111 K N 1.747 122.088 120.400 -0.098 0.000 2.418 111 K HA -0.126 4.194 4.320 -0.000 0.000 0.195 111 K C 0.794 177.491 176.600 0.161 0.000 1.035 111 K CA 1.129 57.455 56.287 0.064 0.000 1.003 111 K CB -0.031 32.481 32.500 0.020 0.000 0.793 111 K HN 0.575 nan 8.250 nan 0.000 0.494 112 D N 1.229 121.663 120.400 0.058 0.000 6.734 112 D HA -0.316 4.324 4.640 -0.000 0.000 0.249 112 D C 0.542 176.891 176.300 0.082 0.000 1.914 112 D CA 1.906 55.940 54.000 0.057 0.000 0.743 112 D CB -1.128 39.669 40.800 -0.004 0.000 0.703 112 D HN 0.187 nan 8.370 nan 0.000 0.928 113 A N 0.593 123.442 122.820 0.048 0.000 2.522 113 A HA 0.016 4.336 4.320 -0.000 0.000 0.285 113 A C 0.276 177.832 177.584 -0.047 0.000 1.222 113 A CA 0.446 52.452 52.037 -0.051 0.000 0.931 113 A CB -0.819 18.078 19.000 -0.173 0.000 1.003 113 A HN 0.334 nan 8.150 nan 0.000 0.560 114 K N 1.668 122.068 120.400 0.000 0.000 2.547 114 K HA -0.084 4.236 4.320 -0.000 0.000 0.275 114 K C 0.704 177.316 176.600 0.020 0.000 1.001 114 K CA 0.604 56.911 56.287 0.033 0.000 1.111 114 K CB 0.147 32.654 32.500 0.010 0.000 0.832 114 K HN 0.616 nan 8.250 nan 0.000 0.485 115 I N 2.449 123.088 120.570 0.114 0.000 2.573 115 I HA -0.034 4.136 4.170 -0.000 0.000 0.295 115 I C 0.332 176.477 176.117 0.047 0.000 1.141 115 I CA -0.234 61.149 61.300 0.138 0.000 1.364 115 I CB -1.036 37.090 38.000 0.210 0.000 1.447 115 I HN 0.535 nan 8.210 nan 0.000 0.571 116 N N 4.915 123.614 118.700 -0.002 0.000 2.374 116 N HA -0.153 4.587 4.740 -0.000 0.000 0.269 116 N C 0.866 176.374 175.510 -0.004 0.000 1.310 116 N CA 0.535 53.575 53.050 -0.016 0.000 0.877 116 N CB 0.477 38.943 38.487 -0.035 0.000 1.096 116 N HN 0.546 nan 8.380 nan 0.000 0.484 117 D N 2.733 123.123 120.400 -0.016 0.000 2.133 117 D HA -0.222 4.418 4.640 -0.000 0.000 0.192 117 D C 1.209 177.499 176.300 -0.018 0.000 1.001 117 D CA 1.502 55.485 54.000 -0.028 0.000 0.844 117 D CB 0.154 40.921 40.800 -0.054 0.000 0.944 117 D HN 0.685 nan 8.370 nan 0.000 0.447 118 E N -0.416 119.778 120.200 -0.011 0.000 2.058 118 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 118 E C 2.395 179.009 176.600 0.023 0.000 0.997 118 E CA 0.842 57.244 56.400 0.003 0.000 0.801 118 E CB -0.123 29.578 29.700 0.002 0.000 0.746 118 E HN 0.460 nan 8.360 nan 0.000 0.450 119 I N 0.799 121.381 120.570 0.020 0.000 2.179 119 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 119 I C 2.198 178.316 176.117 0.001 0.000 1.088 119 I CA 1.204 62.511 61.300 0.010 0.000 1.357 119 I CB -0.200 37.792 38.000 -0.013 0.000 1.051 119 I HN 0.032 nan 8.210 nan 0.000 0.409 120 D N 0.978 121.398 120.400 0.032 0.000 2.092 120 D HA -0.252 4.388 4.640 -0.000 0.000 0.193 120 D C 2.207 178.606 176.300 0.165 0.000 0.994 120 D CA 1.291 55.350 54.000 0.098 0.000 0.828 120 D CB -0.118 40.733 40.800 0.085 0.000 0.963 120 D HN 0.069 nan 8.370 nan 0.000 0.450 121 K N 0.513 120.961 120.400 0.079 0.000 2.074 121 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 121 K C 2.180 178.862 176.600 0.137 0.000 1.048 121 K CA 1.054 57.388 56.287 0.078 0.000 0.926 121 K CB -0.490 32.024 32.500 0.022 0.000 0.713 121 K HN 0.271 nan 8.250 nan 0.000 0.444 122 L N 0.363 121.647 121.223 0.102 0.000 2.056 122 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 122 L C 2.720 179.644 176.870 0.089 0.000 1.078 122 L CA 1.204 56.107 54.840 0.105 0.000 0.749 122 L CB -0.337 41.786 42.059 0.108 0.000 0.901 122 L HN 0.188 nan 8.230 nan 0.000 0.433 123 R N -1.164 119.342 120.500 0.011 0.000 2.096 123 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 123 R C 2.274 178.638 176.300 0.106 0.000 1.127 123 R CA 1.057 57.131 56.100 -0.042 0.000 0.968 123 R CB -0.560 29.561 30.300 -0.299 0.000 0.861 123 R HN 0.459 nan 8.270 nan 0.000 0.440 124 H N 0.629 119.806 119.070 0.178 0.000 2.321 124 H HA -0.059 4.497 4.556 0.000 0.000 0.300 124 H C 2.430 177.839 175.328 0.135 0.000 1.087 124 H CA 1.994 58.159 56.048 0.194 0.000 1.319 124 H CB -0.064 29.765 29.762 0.111 0.000 1.379 124 H HN 0.301 nan 8.280 nan 0.000 0.501 125 S N 0.810 116.639 115.700 0.215 0.000 2.419 125 S HA -0.072 4.398 4.470 -0.000 0.000 0.233 125 S C 2.394 177.037 174.600 0.072 0.000 1.016 125 S CA 0.770 59.053 58.200 0.138 0.000 0.974 125 S CB -0.283 63.008 63.200 0.153 0.000 0.786 125 S HN 0.443 nan 8.310 nan 0.000 0.492 126 A N 2.472 125.337 122.820 0.075 0.000 1.854 126 A HA -0.026 4.294 4.320 -0.000 0.000 0.214 126 A C 2.597 180.093 177.584 -0.146 0.000 1.192 126 A CA 2.090 54.129 52.037 0.003 0.000 0.611 126 A CB -1.670 17.383 19.000 0.089 0.000 0.832 126 A HN 0.732 nan 8.150 nan 0.000 0.442 127 T N -1.749 112.710 114.554 -0.159 0.000 2.951 127 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 127 T C 1.894 176.552 174.700 -0.069 0.000 1.073 127 T CA 1.813 63.743 62.100 -0.284 0.000 1.134 127 T CB -0.565 67.969 68.868 -0.556 0.000 0.884 127 T HN 0.501 nan 8.240 nan 0.000 0.479 128 S N 2.018 117.665 115.700 -0.088 0.000 2.406 128 S HA 0.336 4.806 4.470 -0.000 0.000 0.224 128 S C 2.535 176.953 174.600 -0.304 0.000 1.030 128 S CA 0.433 58.371 58.200 -0.436 0.000 0.958 128 S CB -0.820 62.013 63.200 -0.611 0.000 0.811 128 S HN 0.690 nan 8.310 nan 0.000 0.489 129 A N 2.503 125.230 122.820 -0.155 0.000 1.883 129 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 129 A C 2.214 179.718 177.584 -0.135 0.000 1.186 129 A CA 1.345 53.326 52.037 -0.093 0.000 0.624 129 A CB -1.048 17.924 19.000 -0.047 0.000 0.822 129 A HN 0.470 nan 8.150 nan 0.000 0.444 130 L N -2.009 119.056 121.223 -0.262 0.000 2.081 130 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 130 L C 2.425 179.070 176.870 -0.375 0.000 1.080 130 L CA 1.738 56.320 54.840 -0.429 0.000 0.754 130 L CB -0.402 41.215 42.059 -0.736 0.000 0.893 130 L HN 0.516 nan 8.230 nan 0.000 0.433 131 F N -0.994 118.910 119.950 -0.076 0.000 2.569 131 F HA -0.085 4.442 4.527 -0.000 0.000 0.295 131 F C 2.467 178.303 175.800 0.060 0.000 1.115 131 F CA 0.413 58.430 58.000 0.028 0.000 1.450 131 F CB 0.128 39.223 39.000 0.159 0.000 1.107 131 F HN 0.034 nan 8.300 nan 0.000 0.563 132 E N 0.249 120.553 120.200 0.174 0.000 2.030 132 E HA -0.062 4.288 4.350 -0.000 0.000 0.189 132 E C 1.193 177.842 176.600 0.081 0.000 0.974 132 E CA 0.406 56.905 56.400 0.164 0.000 0.807 132 E CB 0.267 30.055 29.700 0.147 0.000 0.771 132 E HN 0.098 nan 8.360 nan 0.000 0.451 133 R N -1.086 119.429 120.500 0.025 0.000 2.950 133 R HA 0.412 4.752 4.340 -0.000 0.000 0.253 133 R C 0.536 176.809 176.300 -0.046 0.000 1.168 133 R CA -0.640 55.453 56.100 -0.011 0.000 1.014 133 R CB 0.609 30.899 30.300 -0.017 0.000 1.228 133 R HN -0.092 nan 8.270 nan 0.000 0.487 134 R N -0.090 120.361 120.500 -0.083 0.000 2.146 134 R HA 0.021 4.361 4.340 -0.000 0.000 0.206 134 R C -0.083 176.094 176.300 -0.205 0.000 1.049 134 R CA 0.818 56.849 56.100 -0.115 0.000 1.029 134 R CB 0.036 30.257 30.300 -0.132 0.000 0.949 134 R HN 0.724 nan 8.270 nan 0.000 0.471 135 D N 1.977 122.173 120.400 -0.340 0.000 2.745 135 D HA -0.006 4.634 4.640 -0.000 0.000 0.229 135 D C -0.093 176.136 176.300 -0.118 0.000 1.088 135 D CA 0.147 53.753 54.000 -0.656 0.000 1.054 135 D CB 0.114 40.539 40.800 -0.625 0.000 1.132 135 D HN -0.152 nan 8.370 nan 0.000 0.464 136 V N 0.910 120.871 119.914 0.079 0.000 2.604 136 V HA 0.520 4.640 4.120 -0.000 0.000 0.305 136 V C -0.953 175.306 176.094 0.276 0.000 1.043 136 V CA -0.902 61.502 62.300 0.172 0.000 0.888 136 V CB 1.950 33.809 31.823 0.059 0.000 0.995 136 V HN 0.262 nan 8.190 nan 0.000 0.429 137 I N 7.065 127.764 120.570 0.215 0.000 2.498 137 I HA 0.516 4.686 4.170 -0.000 0.000 0.290 137 I C -0.840 175.404 176.117 0.213 0.000 1.032 137 I CA -0.570 60.838 61.300 0.180 0.000 1.073 137 I CB 2.142 40.180 38.000 0.064 0.000 1.251 137 I HN 0.443 nan 8.210 nan 0.000 0.426 138 I N 6.244 126.956 120.570 0.237 0.000 2.418 138 I HA 0.339 4.509 4.170 -0.000 0.000 0.287 138 I C -0.444 175.784 176.117 0.184 0.000 1.008 138 I CA -0.892 60.539 61.300 0.218 0.000 1.104 138 I CB 2.134 40.257 38.000 0.207 0.000 1.264 138 I HN 0.165 nan 8.210 nan 0.000 0.438 139 V N 5.831 125.863 119.914 0.197 0.000 2.432 139 V HA 0.693 4.813 4.120 -0.000 0.000 0.275 139 V C 0.413 176.524 176.094 0.028 0.000 1.043 139 V CA -0.167 62.228 62.300 0.160 0.000 0.925 139 V CB 1.151 33.146 31.823 0.288 0.000 0.985 139 V HN 0.858 nan 8.190 nan 0.000 0.466 140 A N 3.962 126.789 122.820 0.012 0.000 2.515 140 A HA 0.885 5.205 4.320 -0.000 0.000 0.296 140 A C -0.004 177.552 177.584 -0.047 0.000 1.094 140 A CA -0.334 51.684 52.037 -0.030 0.000 0.718 140 A CB 1.908 20.928 19.000 0.033 0.000 1.307 140 A HN 0.910 nan 8.150 nan 0.000 0.408 141 S N -0.224 115.433 115.700 -0.072 0.000 2.661 141 S HA 0.361 4.831 4.470 -0.000 0.000 0.265 141 S C 1.166 175.714 174.600 -0.087 0.000 1.225 141 S CA 0.060 58.241 58.200 -0.031 0.000 0.986 141 S CB 0.563 63.802 63.200 0.064 0.000 1.008 141 S HN 1.864 nan 8.310 nan 0.000 0.565 142 V N -0.462 119.377 119.914 -0.125 0.000 3.284 142 V HA -0.076 4.044 4.120 -0.000 0.000 0.273 142 V C 2.098 177.961 176.094 -0.384 0.000 1.178 142 V CA 1.474 63.643 62.300 -0.219 0.000 1.177 142 V CB -2.212 29.480 31.823 -0.218 0.000 0.793 142 V HN 0.978 nan 8.190 nan 0.000 0.536 143 S N 0.829 116.218 115.700 -0.518 0.000 2.547 143 S HA -0.173 4.297 4.470 -0.000 0.000 0.235 143 S C 1.741 176.090 174.600 -0.419 0.000 0.980 143 S CA 0.820 58.417 58.200 -1.005 0.000 0.941 143 S CB -1.486 61.249 63.200 -0.775 0.000 0.763 143 S HN 1.050 nan 8.310 nan 0.000 0.532 144 C N 1.062 120.257 119.300 -0.174 0.000 2.485 144 C HA 0.379 4.839 4.460 -0.000 0.000 0.283 144 C C 1.619 176.558 174.990 -0.085 0.000 1.478 144 C CA -0.442 58.492 59.018 -0.141 0.000 1.741 144 C CB -2.155 25.506 27.740 -0.131 0.000 1.675 144 C HN 0.794 nan 8.230 nan 0.000 0.573 145 I N -4.508 116.021 120.570 -0.068 0.000 3.936 145 I HA 0.428 4.598 4.170 -0.000 0.000 0.330 145 I C 0.174 176.425 176.117 0.223 0.000 1.509 145 I CA -0.768 60.568 61.300 0.060 0.000 1.126 145 I CB -0.571 37.443 38.000 0.024 0.000 1.115 145 I HN 0.240 nan 8.210 nan 0.000 0.424 146 Y N 1.737 122.067 120.300 0.050 0.000 2.334 146 Y HA 0.552 5.102 4.550 0.000 0.000 0.325 146 Y C 1.528 177.497 175.900 0.116 0.000 1.308 146 Y CA -1.224 56.920 58.100 0.073 0.000 1.389 146 Y CB 0.884 39.392 38.460 0.080 0.000 1.328 146 Y HN 0.152 nan 8.280 nan 0.000 0.532 147 G N 1.618 110.617 108.800 0.332 0.000 2.225 147 G HA2 0.251 4.211 3.960 -0.000 0.000 0.245 147 G HA3 0.251 4.211 3.960 -0.000 0.000 0.245 147 G C -1.231 173.876 174.900 0.344 0.000 1.249 147 G CA -0.071 45.213 45.100 0.306 0.000 0.919 147 G HN 0.271 nan 8.290 nan 0.000 0.486 148 L N 2.350 123.719 121.223 0.242 0.000 2.436 148 L HA 0.646 4.986 4.340 -0.000 0.000 0.268 148 L C 0.788 177.680 176.870 0.037 0.000 0.974 148 L CA -0.295 54.557 54.840 0.020 0.000 0.826 148 L CB 1.762 43.824 42.059 0.005 0.000 1.291 148 L HN 0.738 nan 8.230 nan 0.000 0.406 149 G N 1.666 110.273 108.800 -0.322 0.000 2.568 149 G HA2 0.149 4.109 3.960 -0.000 0.000 0.231 149 G HA3 0.149 4.109 3.960 -0.000 0.000 0.231 149 G C 0.127 175.049 174.900 0.036 0.000 1.261 149 G CA 0.290 45.361 45.100 -0.048 0.000 0.855 149 G HN 0.815 nan 8.290 nan 0.000 0.576 150 S N 2.306 117.992 115.700 -0.024 0.000 2.552 150 S HA 0.127 4.597 4.470 -0.000 0.000 0.289 150 S C -0.202 174.138 174.600 -0.434 0.000 1.304 150 S CA -0.416 57.508 58.200 -0.460 0.000 1.063 150 S CB 1.106 64.019 63.200 -0.479 0.000 0.848 150 S HN 0.451 nan 8.310 nan 0.000 0.499 151 P HA -0.044 nan 4.420 nan 0.000 0.217 151 P C 0.884 178.036 177.300 -0.248 0.000 1.151 151 P CA 1.119 63.758 63.100 -0.768 0.000 0.828 151 P CB 0.051 31.122 31.700 -1.048 0.000 0.788 152 E N 0.141 120.170 120.200 -0.286 0.000 2.077 152 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 152 E C 2.147 178.679 176.600 -0.113 0.000 0.989 152 E CA 1.259 57.557 56.400 -0.171 0.000 0.800 152 E CB -0.628 28.983 29.700 -0.148 0.000 0.746 152 E HN 0.219 nan 8.360 nan 0.000 0.452 153 E N -0.072 120.080 120.200 -0.080 0.000 2.049 153 E HA -0.249 4.101 4.350 -0.000 0.000 0.198 153 E C 1.843 178.481 176.600 0.064 0.000 1.007 153 E CA 1.322 57.723 56.400 0.001 0.000 0.809 153 E CB -0.450 29.272 29.700 0.037 0.000 0.749 153 E HN 0.386 nan 8.360 nan 0.000 0.450 154 Y N 1.116 121.412 120.300 -0.008 0.000 2.165 154 Y HA -0.227 4.323 4.550 0.000 0.000 0.286 154 Y C 2.413 178.304 175.900 -0.014 0.000 1.155 154 Y CA 2.225 60.376 58.100 0.086 0.000 1.164 154 Y CB -0.153 38.472 38.460 0.274 0.000 0.978 154 Y HN -0.038 nan 8.280 nan 0.000 0.513 155 R N 0.735 121.154 120.500 -0.135 0.000 2.070 155 R HA -0.177 4.163 4.340 -0.000 0.000 0.227 155 R C 2.138 178.260 176.300 -0.298 0.000 1.147 155 R CA 2.123 57.956 56.100 -0.445 0.000 0.924 155 R CB -0.723 29.205 30.300 -0.620 0.000 0.827 155 R HN 0.439 nan 8.270 nan 0.000 0.431 156 E N 0.400 120.482 120.200 -0.197 0.000 2.219 156 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 156 E C 1.748 178.266 176.600 -0.137 0.000 0.998 156 E CA 0.981 57.294 56.400 -0.144 0.000 0.818 156 E CB -0.063 29.582 29.700 -0.093 0.000 0.741 156 E HN 0.330 nan 8.360 nan 0.000 0.477 157 L N 0.724 121.868 121.223 -0.131 0.000 2.627 157 L HA 0.079 4.419 4.340 -0.000 0.000 0.233 157 L C 0.684 177.446 176.870 -0.179 0.000 1.144 157 L CA -0.412 54.361 54.840 -0.110 0.000 0.892 157 L CB 0.468 42.504 42.059 -0.038 0.000 1.039 157 L HN 0.026 nan 8.230 nan 0.000 0.442 158 V N 0.412 120.149 119.914 -0.295 0.000 2.811 158 V HA 0.064 4.184 4.120 -0.000 0.000 0.302 158 V C 0.433 176.345 176.094 -0.302 0.000 1.063 158 V CA -0.274 61.772 62.300 -0.422 0.000 1.088 158 V CB 1.824 33.202 31.823 -0.741 0.000 0.982 158 V HN -0.143 nan 8.190 nan 0.000 0.485 159 V N 6.916 126.658 119.914 -0.288 0.000 2.338 159 V HA 0.182 4.302 4.120 -0.000 0.000 0.255 159 V C 0.771 176.711 176.094 -0.257 0.000 1.082 159 V CA 0.490 62.656 62.300 -0.223 0.000 0.951 159 V CB 0.680 32.386 31.823 -0.195 0.000 1.102 159 V HN 0.979 nan 8.190 nan 0.000 0.489 160 S N 7.361 122.929 115.700 -0.220 0.000 3.072 160 S HA 0.435 4.905 4.470 -0.000 0.000 0.306 160 S C -0.135 174.340 174.600 -0.208 0.000 1.207 160 S CA -0.631 57.444 58.200 -0.208 0.000 1.008 160 S CB -0.625 62.513 63.200 -0.104 0.000 1.390 160 S HN 0.515 nan 8.310 nan 0.000 0.523 161 L N 4.520 125.557 121.223 -0.311 0.000 2.439 161 L HA 0.667 5.007 4.340 -0.000 0.000 0.261 161 L C 0.885 177.596 176.870 -0.264 0.000 1.153 161 L CA -0.693 53.992 54.840 -0.257 0.000 0.808 161 L CB 0.544 42.459 42.059 -0.241 0.000 1.126 161 L HN 0.437 nan 8.230 nan 0.000 0.460 162 R N 0.046 120.459 120.500 -0.144 0.000 2.604 162 R HA 0.362 4.702 4.340 -0.000 0.000 0.270 162 R C -1.349 174.903 176.300 -0.081 0.000 1.052 162 R CA -0.929 55.132 56.100 -0.065 0.000 0.902 162 R CB 2.194 32.499 30.300 0.007 0.000 1.233 162 R HN 0.497 nan 8.270 nan 0.000 0.455 163 V N -0.063 119.814 119.914 -0.063 0.000 2.681 163 V HA 0.191 4.311 4.120 -0.000 0.000 0.306 163 V C 1.115 177.161 176.094 -0.080 0.000 1.077 163 V CA 0.794 63.047 62.300 -0.078 0.000 1.224 163 V CB -0.032 31.757 31.823 -0.056 0.000 0.879 163 V HN 1.030 nan 8.190 nan 0.000 0.494 164 G N 3.335 112.072 108.800 -0.106 0.000 2.338 164 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.296 164 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.296 164 G C -0.102 174.754 174.900 -0.074 0.000 1.040 164 G CA 0.587 45.632 45.100 -0.091 0.000 1.004 164 G HN 0.896 nan 8.290 nan 0.000 0.509 165 M N -1.028 118.518 119.600 -0.090 0.000 2.368 165 M HA 0.306 4.786 4.480 -0.000 0.000 0.311 165 M C 1.089 177.364 176.300 -0.042 0.000 1.168 165 M CA -0.468 54.796 55.300 -0.061 0.000 1.044 165 M CB 0.958 33.519 32.600 -0.066 0.000 1.506 165 M HN 0.146 nan 8.290 nan 0.000 0.475 166 E N 1.823 122.012 120.200 -0.019 0.000 2.888 166 E HA 0.133 4.483 4.350 -0.000 0.000 0.271 166 E C -1.074 175.539 176.600 0.022 0.000 1.527 166 E CA 0.131 56.532 56.400 0.003 0.000 1.700 166 E CB -0.668 29.032 29.700 0.000 0.000 1.410 166 E HN 0.288 nan 8.360 nan 0.000 0.445 167 I N -0.824 119.770 120.570 0.040 0.000 2.562 167 I HA 0.380 4.550 4.170 -0.000 0.000 0.301 167 I C 0.455 176.707 176.117 0.226 0.000 1.003 167 I CA -1.106 60.248 61.300 0.090 0.000 1.127 167 I CB 1.769 39.807 38.000 0.062 0.000 1.304 167 I HN -0.002 nan 8.210 nan 0.000 0.446 168 E N 3.714 124.011 120.200 0.161 0.000 2.250 168 E HA 0.282 4.632 4.350 -0.000 0.000 0.265 168 E C 0.644 177.226 176.600 -0.031 0.000 1.033 168 E CA -0.635 55.823 56.400 0.095 0.000 0.888 168 E CB 1.632 31.330 29.700 -0.003 0.000 1.151 168 E HN 0.579 nan 8.360 nan 0.000 0.412 169 R N 1.590 121.824 120.500 -0.444 0.000 2.055 169 R HA -0.072 4.268 4.340 -0.000 0.000 0.228 169 R C 1.400 177.507 176.300 -0.322 0.000 1.143 169 R CA 1.625 57.280 56.100 -0.743 0.000 0.945 169 R CB -0.172 29.572 30.300 -0.927 0.000 0.841 169 R HN 0.582 nan 8.270 nan 0.000 0.429 170 N N 0.465 119.031 118.700 -0.224 0.000 2.453 170 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 170 N C 1.410 176.861 175.510 -0.099 0.000 1.041 170 N CA 0.953 53.922 53.050 -0.135 0.000 0.900 170 N CB 0.104 38.532 38.487 -0.098 0.000 0.961 170 N HN 0.295 nan 8.380 nan 0.000 0.443 171 A N 1.176 123.943 122.820 -0.088 0.000 1.970 171 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 171 A C 2.230 179.776 177.584 -0.064 0.000 1.170 171 A CA 0.547 52.551 52.037 -0.055 0.000 0.645 171 A CB -0.283 18.699 19.000 -0.029 0.000 0.816 171 A HN 0.240 nan 8.150 nan 0.000 0.447 172 L N -1.286 119.893 121.223 -0.073 0.000 2.127 172 L HA 0.156 4.496 4.340 -0.000 0.000 0.203 172 L C 1.930 178.684 176.870 -0.194 0.000 1.080 172 L CA 1.353 56.137 54.840 -0.093 0.000 0.768 172 L CB -0.400 41.653 42.059 -0.010 0.000 0.924 172 L HN 0.173 nan 8.230 nan 0.000 0.444 173 L N -0.099 120.992 121.223 -0.220 0.000 2.265 173 L HA -0.092 4.248 4.340 -0.000 0.000 0.215 173 L C 2.728 179.466 176.870 -0.219 0.000 1.117 173 L CA 1.472 56.118 54.840 -0.323 0.000 0.782 173 L CB -0.560 41.378 42.059 -0.202 0.000 0.914 173 L HN 0.310 nan 8.230 nan 0.000 0.441 174 R N -1.280 119.149 120.500 -0.118 0.000 2.140 174 R HA 0.033 4.373 4.340 -0.000 0.000 0.213 174 R C 2.294 178.563 176.300 -0.051 0.000 1.059 174 R CA 0.204 56.275 56.100 -0.048 0.000 1.000 174 R CB 0.130 30.414 30.300 -0.027 0.000 0.910 174 R HN 0.184 nan 8.270 nan 0.000 0.455 175 R N 0.504 120.951 120.500 -0.088 0.000 2.092 175 R HA -0.075 4.265 4.340 -0.000 0.000 0.231 175 R C 2.175 178.430 176.300 -0.076 0.000 1.119 175 R CA 1.006 57.061 56.100 -0.076 0.000 0.970 175 R CB -0.374 29.871 30.300 -0.092 0.000 0.864 175 R HN 0.280 nan 8.270 nan 0.000 0.440 176 L N 0.293 121.420 121.223 -0.160 0.000 2.217 176 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 176 L C 2.364 179.305 176.870 0.119 0.000 1.107 176 L CA 0.606 55.363 54.840 -0.138 0.000 0.783 176 L CB -0.366 41.398 42.059 -0.492 0.000 0.919 176 L HN -0.086 nan 8.230 nan 0.000 0.442 177 V N -0.610 119.361 119.914 0.095 0.000 2.548 177 V HA -0.205 3.915 4.120 -0.000 0.000 0.249 177 V C 1.924 178.099 176.094 0.135 0.000 1.055 177 V CA 1.467 63.887 62.300 0.199 0.000 1.065 177 V CB -0.440 31.502 31.823 0.199 0.000 0.681 177 V HN 0.376 nan 8.190 nan 0.000 0.462 178 D N -0.141 120.311 120.400 0.086 0.000 2.263 178 D HA -0.056 4.584 4.640 -0.000 0.000 0.208 178 D C 1.607 177.954 176.300 0.080 0.000 0.971 178 D CA 1.166 55.208 54.000 0.069 0.000 0.867 178 D CB 0.078 40.900 40.800 0.037 0.000 0.929 178 D HN 0.384 nan 8.370 nan 0.000 0.492 179 I N -0.102 120.535 120.570 0.112 0.000 3.891 179 I HA -0.012 4.158 4.170 -0.000 0.000 0.331 179 I C -0.080 176.104 176.117 0.112 0.000 1.406 179 I CA 0.171 61.552 61.300 0.135 0.000 1.139 179 I CB 0.079 38.181 38.000 0.171 0.000 1.056 179 I HN -0.136 nan 8.210 nan 0.000 0.399 180 Q N -0.275 119.557 119.800 0.055 0.000 2.493 180 Q HA -0.238 4.102 4.340 -0.000 0.000 0.278 180 Q C -0.997 174.918 176.000 -0.142 0.000 1.216 180 Q CA 0.627 56.371 55.803 -0.097 0.000 0.875 180 Q CB -1.352 27.233 28.738 -0.255 0.000 1.262 180 Q HN 0.482 nan 8.270 nan 0.000 0.468 181 Y N 0.148 120.492 120.300 0.073 0.000 2.334 181 Y HA 0.382 4.932 4.550 0.000 0.000 0.328 181 Y C 0.680 176.711 175.900 0.218 0.000 1.130 181 Y CA -0.539 57.666 58.100 0.175 0.000 1.163 181 Y CB 1.068 39.731 38.460 0.338 0.000 1.207 181 Y HN 0.020 nan 8.280 nan 0.000 0.471 182 D N 2.058 122.568 120.400 0.184 0.000 2.269 182 D HA 0.252 4.892 4.640 -0.000 0.000 0.244 182 D C -0.736 175.209 176.300 -0.592 0.000 0.992 182 D CA -0.852 53.105 54.000 -0.073 0.000 0.894 182 D CB 1.950 42.711 40.800 -0.066 0.000 1.248 182 D HN 0.389 nan 8.370 nan 0.000 0.468 183 R N 1.353 121.382 120.500 -0.785 0.000 2.265 183 R HA 0.269 4.609 4.340 -0.000 0.000 0.314 183 R C -1.004 175.094 176.300 -0.337 0.000 1.053 183 R CA -0.269 55.262 56.100 -0.948 0.000 0.931 183 R CB 0.221 30.163 30.300 -0.596 0.000 1.024 183 R HN 0.302 nan 8.270 nan 0.000 0.457 184 N N 2.891 121.477 118.700 -0.190 0.000 2.732 184 N HA 0.116 4.856 4.740 -0.000 0.000 0.247 184 N C -1.197 174.367 175.510 0.089 0.000 1.305 184 N CA -0.314 52.723 53.050 -0.022 0.000 0.762 184 N CB 1.188 39.676 38.487 0.002 0.000 1.361 184 N HN 0.556 nan 8.380 nan 0.000 0.545 185 D N 0.972 121.392 120.400 0.033 0.000 2.213 185 D HA 0.037 4.677 4.640 -0.000 0.000 0.205 185 D C 1.638 177.960 176.300 0.037 0.000 0.961 185 D CA 0.605 54.620 54.000 0.025 0.000 0.853 185 D CB 0.325 41.120 40.800 -0.008 0.000 0.967 185 D HN 0.567 nan 8.370 nan 0.000 0.496 186 I N -0.419 120.173 120.570 0.036 0.000 3.291 186 I HA 0.042 4.212 4.170 -0.000 0.000 0.279 186 I C -0.178 175.973 176.117 0.058 0.000 1.294 186 I CA 0.735 62.056 61.300 0.035 0.000 1.428 186 I CB -0.175 37.837 38.000 0.020 0.000 1.070 186 I HN -0.179 nan 8.210 nan 0.000 0.478 187 D N 0.559 121.017 120.400 0.096 0.000 2.491 187 D HA 0.182 4.822 4.640 -0.000 0.000 0.232 187 D C -1.211 175.210 176.300 0.201 0.000 1.334 187 D CA -0.323 53.748 54.000 0.119 0.000 0.909 187 D CB 0.564 41.402 40.800 0.063 0.000 1.513 187 D HN -0.163 nan 8.370 nan 0.000 0.514 188 F N 3.490 123.484 119.950 0.074 0.000 2.487 188 F HA 0.293 4.820 4.527 0.000 0.000 0.364 188 F C 0.894 176.815 175.800 0.201 0.000 1.126 188 F CA -0.077 58.018 58.000 0.158 0.000 1.135 188 F CB 0.139 39.248 39.000 0.181 0.000 1.127 188 F HN 0.193 nan 8.300 nan 0.000 0.559 189 R N 4.031 124.440 120.500 -0.150 0.000 2.888 189 R HA 0.541 4.881 4.340 -0.000 0.000 0.264 189 R C -0.560 175.163 176.300 -0.963 0.000 1.045 189 R CA -1.339 54.509 56.100 -0.420 0.000 0.962 189 R CB 0.926 31.075 30.300 -0.252 0.000 1.210 189 R HN 0.520 nan 8.270 nan 0.000 0.479 190 R N 0.435 120.121 120.500 -1.356 0.000 2.585 190 R HA 0.165 4.505 4.340 -0.000 0.000 0.275 190 R C 0.159 176.145 176.300 -0.524 0.000 1.018 190 R CA 1.701 57.045 56.100 -1.259 0.000 1.072 190 R CB -0.048 29.746 30.300 -0.843 0.000 0.953 190 R HN 1.011 nan 8.270 nan 0.000 0.419 191 G N 2.524 111.173 108.800 -0.252 0.000 2.132 191 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.234 191 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.234 191 G C -0.189 174.707 174.900 -0.007 0.000 0.989 191 G CA 0.331 45.316 45.100 -0.193 0.000 0.676 191 G HN 0.689 nan 8.290 nan 0.000 0.522 192 T N -0.037 114.575 114.554 0.097 0.000 2.930 192 T HA 0.747 5.097 4.350 -0.000 0.000 0.290 192 T C -0.530 174.405 174.700 0.391 0.000 1.052 192 T CA 0.026 62.208 62.100 0.136 0.000 1.017 192 T CB 1.712 70.551 68.868 -0.049 0.000 1.137 192 T HN 1.010 nan 8.240 nan 0.000 0.511 193 F N -0.052 120.120 119.950 0.370 0.000 2.565 193 F HA 0.842 5.369 4.527 -0.000 0.000 0.313 193 F C -0.657 175.366 175.800 0.372 0.000 1.091 193 F CA -1.359 56.878 58.000 0.395 0.000 0.915 193 F CB 1.518 40.616 39.000 0.163 0.000 1.208 193 F HN 0.389 nan 8.300 nan 0.000 0.453 194 R N 3.222 124.012 120.500 0.482 0.000 2.439 194 R HA 0.688 5.028 4.340 -0.000 0.000 0.310 194 R C -2.088 174.293 176.300 0.135 0.000 0.955 194 R CA -0.929 55.253 56.100 0.136 0.000 0.853 194 R CB 2.060 32.193 30.300 -0.278 0.000 1.171 194 R HN 0.861 nan 8.270 nan 0.000 0.449 195 V N 5.827 125.820 119.914 0.132 0.000 2.347 195 V HA 0.440 4.560 4.120 -0.000 0.000 0.280 195 V C -0.312 175.792 176.094 0.017 0.000 1.021 195 V CA -0.453 61.901 62.300 0.090 0.000 0.847 195 V CB 1.215 33.114 31.823 0.127 0.000 0.990 195 V HN 0.844 nan 8.190 nan 0.000 0.444 196 R N 4.667 125.163 120.500 -0.008 0.000 2.903 196 R HA 0.470 4.810 4.340 -0.000 0.000 0.363 196 R C 1.129 177.413 176.300 -0.027 0.000 1.161 196 R CA 0.697 56.782 56.100 -0.026 0.000 1.109 196 R CB 0.231 30.506 30.300 -0.043 0.000 1.399 196 R HN 1.198 nan 8.270 nan 0.000 0.587 197 G N 0.856 109.638 108.800 -0.030 0.000 3.757 197 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.215 197 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.215 197 G C 0.504 175.365 174.900 -0.064 0.000 1.411 197 G CA 0.460 45.533 45.100 -0.046 0.000 0.896 197 G HN 0.511 nan 8.290 nan 0.000 0.581 198 D N -0.019 120.356 120.400 -0.042 0.000 2.516 198 D HA 0.324 4.964 4.640 -0.000 0.000 0.241 198 D C -0.031 176.300 176.300 0.051 0.000 1.246 198 D CA 0.404 54.391 54.000 -0.021 0.000 0.808 198 D CB 1.128 41.909 40.800 -0.030 0.000 1.147 198 D HN 0.301 nan 8.370 nan 0.000 0.527 199 V N 1.867 121.795 119.914 0.023 0.000 2.398 199 V HA 0.405 4.525 4.120 -0.000 0.000 0.286 199 V C 0.073 176.187 176.094 0.034 0.000 1.026 199 V CA -0.535 61.785 62.300 0.033 0.000 0.868 199 V CB 1.916 33.737 31.823 -0.004 0.000 0.982 199 V HN -0.140 nan 8.190 nan 0.000 0.443 200 V N 5.370 125.324 119.914 0.066 0.000 2.443 200 V HA 0.438 4.558 4.120 -0.000 0.000 0.293 200 V C -0.289 175.844 176.094 0.065 0.000 1.021 200 V CA -0.640 61.705 62.300 0.076 0.000 0.848 200 V CB 1.794 33.675 31.823 0.097 0.000 0.998 200 V HN 0.905 nan 8.190 nan 0.000 0.424 201 E N 5.650 125.890 120.200 0.066 0.000 2.158 201 E HA 0.610 4.960 4.350 -0.000 0.000 0.271 201 E C -1.204 175.601 176.600 0.342 0.000 0.911 201 E CA -0.611 55.848 56.400 0.098 0.000 0.767 201 E CB 2.893 32.523 29.700 -0.118 0.000 1.120 201 E HN 0.498 nan 8.360 nan 0.000 0.405 202 I N 2.633 123.374 120.570 0.286 0.000 2.406 202 I HA 0.258 4.428 4.170 -0.000 0.000 0.290 202 I C -0.591 175.690 176.117 0.274 0.000 0.999 202 I CA -0.603 60.863 61.300 0.277 0.000 1.124 202 I CB 1.294 39.303 38.000 0.014 0.000 1.289 202 I HN 0.497 nan 8.210 nan 0.000 0.441 203 F N 7.896 127.934 119.950 0.147 0.000 2.384 203 F HA 0.371 4.898 4.527 0.000 0.000 0.359 203 F C -1.920 173.978 175.800 0.163 0.000 1.143 203 F CA -2.295 55.706 58.000 0.002 0.000 1.216 203 F CB 0.660 39.415 39.000 -0.408 0.000 1.512 203 F HN 0.219 nan 8.300 nan 0.000 0.573 204 P HA -0.146 nan 4.420 nan 0.000 0.263 204 P C 0.122 177.602 177.300 0.300 0.000 1.175 204 P CA 0.494 63.834 63.100 0.401 0.000 0.761 204 P CB 0.880 32.769 31.700 0.316 0.000 0.794 205 A N 2.993 125.923 122.820 0.183 0.000 2.125 205 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 205 A C 1.856 179.444 177.584 0.006 0.000 1.156 205 A CA 1.980 53.950 52.037 -0.112 0.000 0.671 205 A CB -1.165 17.530 19.000 -0.509 0.000 0.794 205 A HN 0.589 nan 8.150 nan 0.000 0.459 206 S N -0.653 115.147 115.700 0.166 0.000 2.501 206 S HA 0.144 4.614 4.470 -0.000 0.000 0.220 206 S C 0.945 175.670 174.600 0.208 0.000 0.997 206 S CA -0.296 58.026 58.200 0.203 0.000 0.919 206 S CB 0.102 63.430 63.200 0.214 0.000 0.778 206 S HN 0.511 nan 8.310 nan 0.000 0.523 207 R N 1.049 121.697 120.500 0.246 0.000 2.758 207 R HA 0.490 4.830 4.340 -0.000 0.000 0.265 207 R C -0.048 176.409 176.300 0.261 0.000 1.016 207 R CA -0.682 55.617 56.100 0.332 0.000 1.040 207 R CB 0.600 31.170 30.300 0.451 0.000 1.152 207 R HN 0.056 nan 8.270 nan 0.000 0.503 208 D N 0.968 121.492 120.400 0.206 0.000 2.648 208 D HA -0.070 4.570 4.640 -0.000 0.000 0.261 208 D C 1.322 177.696 176.300 0.124 0.000 1.261 208 D CA 1.035 55.076 54.000 0.069 0.000 1.011 208 D CB 0.541 41.322 40.800 -0.032 0.000 1.092 208 D HN 0.677 nan 8.370 nan 0.000 0.417 209 E N -0.124 119.952 120.200 -0.208 0.000 2.465 209 E HA -0.031 4.319 4.350 -0.000 0.000 0.209 209 E C 0.058 176.540 176.600 -0.196 0.000 0.951 209 E CA -0.033 56.276 56.400 -0.152 0.000 0.997 209 E CB -0.223 29.351 29.700 -0.210 0.000 1.025 209 E HN 0.399 nan 8.360 nan 0.000 0.500 210 H N 2.595 121.720 119.070 0.091 0.000 3.092 210 H HA 0.248 4.804 4.556 -0.000 0.000 0.263 210 H C 0.715 176.022 175.328 -0.035 0.000 1.611 210 H CA -0.279 55.788 56.048 0.031 0.000 1.457 210 H CB -0.717 29.086 29.762 0.069 0.000 1.731 210 H HN 0.211 nan 8.280 nan 0.000 0.532 211 C N 1.802 121.013 119.300 -0.148 0.000 2.345 211 C HA 0.707 5.167 4.460 -0.000 0.000 0.369 211 C C 0.642 175.618 174.990 -0.023 0.000 1.273 211 C CA -0.888 57.998 59.018 -0.221 0.000 2.310 211 C CB -0.080 27.305 27.740 -0.592 0.000 2.219 211 C HN 0.608 nan 8.230 nan 0.000 0.587 212 I N 0.673 121.257 120.570 0.023 0.000 2.648 212 I HA 0.588 4.758 4.170 -0.000 0.000 0.304 212 I C 0.353 176.490 176.117 0.033 0.000 1.009 212 I CA -0.405 60.914 61.300 0.032 0.000 1.114 212 I CB 1.306 39.324 38.000 0.029 0.000 1.293 212 I HN 0.739 nan 8.210 nan 0.000 0.449 213 R N 3.850 124.358 120.500 0.012 0.000 2.468 213 R HA 0.617 4.957 4.340 -0.000 0.000 0.302 213 R C -1.840 174.458 176.300 -0.002 0.000 1.041 213 R CA -0.484 55.621 56.100 0.009 0.000 0.899 213 R CB 1.861 32.161 30.300 -0.001 0.000 1.167 213 R HN 0.395 nan 8.270 nan 0.000 0.483 214 V N 4.026 123.946 119.914 0.010 0.000 2.384 214 V HA 0.389 4.509 4.120 -0.000 0.000 0.287 214 V C -0.675 175.452 176.094 0.054 0.000 1.020 214 V CA -0.336 61.955 62.300 -0.016 0.000 0.850 214 V CB 1.821 33.617 31.823 -0.045 0.000 0.987 214 V HN 0.749 nan 8.190 nan 0.000 0.436 215 E N 4.623 124.822 120.200 -0.001 0.000 2.244 215 E HA 0.559 4.909 4.350 -0.000 0.000 0.266 215 E C -1.469 175.152 176.600 0.034 0.000 0.914 215 E CA -0.478 55.991 56.400 0.116 0.000 0.794 215 E CB 2.570 32.325 29.700 0.091 0.000 1.210 215 E HN 0.578 nan 8.360 nan 0.000 0.414 216 F N 0.945 120.908 119.950 0.021 0.000 2.497 216 F HA 0.551 5.078 4.527 -0.000 0.000 0.331 216 F C -0.270 175.585 175.800 0.092 0.000 1.060 216 F CA -0.757 57.269 58.000 0.043 0.000 0.989 216 F CB 1.237 40.234 39.000 -0.005 0.000 1.245 216 F HN 0.372 nan 8.300 nan 0.000 0.486 217 F N 1.591 121.634 119.950 0.155 0.000 3.159 217 F HA 0.468 4.995 4.527 -0.000 0.000 0.394 217 F C 0.123 175.971 175.800 0.081 0.000 1.214 217 F CA 0.117 58.166 58.000 0.082 0.000 1.241 217 F CB 0.647 39.663 39.000 0.027 0.000 2.238 217 F HN 0.698 nan 8.300 nan 0.000 0.658 218 G N 2.187 111.113 108.800 0.210 0.000 2.464 218 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 218 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 218 G C -0.381 174.641 174.900 0.203 0.000 1.186 218 G CA -0.115 45.084 45.100 0.165 0.000 1.010 218 G HN 0.279 nan 8.290 nan 0.000 0.585 219 D N 2.937 123.436 120.400 0.164 0.000 2.587 219 D HA 0.270 4.910 4.640 -0.000 0.000 0.233 219 D C 0.211 176.614 176.300 0.171 0.000 1.213 219 D CA 0.625 54.734 54.000 0.183 0.000 0.827 219 D CB -0.064 40.795 40.800 0.097 0.000 1.006 219 D HN 0.557 nan 8.370 nan 0.000 0.490 220 E N 0.108 120.396 120.200 0.148 0.000 2.275 220 E HA 0.306 4.656 4.350 -0.000 0.000 0.270 220 E C -0.255 176.238 176.600 -0.178 0.000 0.882 220 E CA -0.846 55.553 56.400 -0.003 0.000 0.758 220 E CB 1.902 31.603 29.700 0.002 0.000 1.195 220 E HN -0.055 nan 8.360 nan 0.000 0.419 221 I N 2.693 123.032 120.570 -0.385 0.000 2.683 221 I HA -0.112 4.058 4.170 -0.000 0.000 0.286 221 I C 1.498 177.452 176.117 -0.272 0.000 1.175 221 I CA 0.730 61.688 61.300 -0.570 0.000 1.429 221 I CB 0.447 38.142 38.000 -0.509 0.000 1.371 221 I HN 0.671 nan 8.210 nan 0.000 0.569 222 E N 5.608 125.683 120.200 -0.209 0.000 2.046 222 E HA 0.193 4.543 4.350 -0.000 0.000 0.199 222 E C 0.338 176.883 176.600 -0.092 0.000 0.948 222 E CA 0.154 56.500 56.400 -0.089 0.000 0.876 222 E CB 0.420 30.134 29.700 0.024 0.000 0.901 222 E HN 0.485 nan 8.360 nan 0.000 0.479 223 R N 0.297 120.758 120.500 -0.066 0.000 2.664 223 R HA 0.543 4.883 4.340 -0.000 0.000 0.286 223 R C -0.825 175.437 176.300 -0.063 0.000 0.967 223 R CA -0.427 55.641 56.100 -0.053 0.000 0.933 223 R CB 1.553 31.841 30.300 -0.020 0.000 1.146 223 R HN 0.116 nan 8.270 nan 0.000 0.468 224 I N 2.910 123.448 120.570 -0.053 0.000 2.468 224 I HA 0.439 4.609 4.170 -0.000 0.000 0.285 224 I C -0.307 175.797 176.117 -0.022 0.000 1.039 224 I CA -0.615 60.657 61.300 -0.047 0.000 1.074 224 I CB 1.500 39.460 38.000 -0.066 0.000 1.228 224 I HN 0.403 nan 8.210 nan 0.000 0.436 225 R N 3.836 124.329 120.500 -0.011 0.000 2.867 225 R HA 0.562 4.902 4.340 -0.000 0.000 0.268 225 R C -0.887 175.420 176.300 0.011 0.000 1.014 225 R CA -1.029 55.072 56.100 0.002 0.000 0.946 225 R CB 2.207 32.509 30.300 0.003 0.000 1.208 225 R HN 0.541 nan 8.270 nan 0.000 0.477 226 E N 1.716 121.929 120.200 0.022 0.000 2.103 226 E HA 0.226 4.576 4.350 -0.000 0.000 0.254 226 E C -1.045 175.576 176.600 0.034 0.000 0.940 226 E CA -0.477 55.945 56.400 0.037 0.000 0.771 226 E CB 1.084 30.817 29.700 0.054 0.000 1.153 226 E HN 0.274 nan 8.360 nan 0.000 0.428 227 V N 3.376 123.299 119.914 0.016 0.000 2.834 227 V HA 0.073 4.193 4.120 -0.000 0.000 0.301 227 V C 0.197 176.293 176.094 0.003 0.000 1.066 227 V CA -0.400 61.904 62.300 0.007 0.000 1.052 227 V CB 1.632 33.449 31.823 -0.011 0.000 1.021 227 V HN 0.754 nan 8.190 nan 0.000 0.480 228 D N 3.337 123.742 120.400 0.008 0.000 2.295 228 D HA 0.337 4.977 4.640 -0.000 0.000 0.248 228 D C 0.130 176.424 176.300 -0.010 0.000 1.154 228 D CA -0.245 53.755 54.000 0.001 0.000 0.857 228 D CB 1.641 42.452 40.800 0.018 0.000 1.117 228 D HN 0.728 nan 8.370 nan 0.000 0.468 229 A N 3.706 126.505 122.820 -0.036 0.000 2.587 229 A HA 0.134 4.454 4.320 -0.000 0.000 0.235 229 A C 1.436 179.071 177.584 0.085 0.000 1.044 229 A CA 0.415 52.466 52.037 0.024 0.000 0.754 229 A CB -0.391 18.623 19.000 0.022 0.000 0.968 229 A HN 1.110 nan 8.150 nan 0.000 0.509 230 L N 0.216 121.503 121.223 0.107 0.000 3.839 230 L HA -0.237 4.103 4.340 -0.000 0.000 0.416 230 L C 0.330 177.224 176.870 0.039 0.000 1.195 230 L CA 2.058 56.944 54.840 0.077 0.000 0.946 230 L CB -2.904 39.221 42.059 0.110 0.000 1.891 230 L HN 0.630 nan 8.230 nan 0.000 0.963 231 T N -2.641 111.926 114.554 0.022 0.000 3.336 231 T HA 0.498 4.848 4.350 -0.000 0.000 0.273 231 T C 1.444 176.146 174.700 0.003 0.000 0.932 231 T CA 0.687 62.796 62.100 0.014 0.000 0.995 231 T CB 0.833 69.713 68.868 0.019 0.000 1.213 231 T HN 1.341 nan 8.240 nan 0.000 0.502 232 G N 2.213 111.011 108.800 -0.003 0.000 2.179 232 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 232 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 232 G C -0.028 174.872 174.900 0.001 0.000 0.977 232 G CA 0.375 45.470 45.100 -0.009 0.000 0.641 232 G HN 0.580 nan 8.290 nan 0.000 0.533 233 E N 1.148 121.352 120.200 0.008 0.000 2.161 233 E HA 0.308 4.658 4.350 -0.000 0.000 0.263 233 E C 0.766 177.377 176.600 0.018 0.000 1.185 233 E CA -0.365 56.043 56.400 0.014 0.000 0.938 233 E CB 0.243 29.954 29.700 0.019 0.000 1.023 233 E HN 0.174 nan 8.360 nan 0.000 0.433 234 V N 6.508 126.431 119.914 0.015 0.000 2.539 234 V HA -0.150 3.970 4.120 -0.000 0.000 0.300 234 V C 1.117 177.226 176.094 0.025 0.000 1.019 234 V CA 0.753 63.064 62.300 0.017 0.000 1.160 234 V CB 0.521 32.352 31.823 0.013 0.000 0.901 234 V HN 0.745 nan 8.190 nan 0.000 0.481 235 L N 4.533 125.775 121.223 0.033 0.000 2.586 235 L HA 0.477 4.817 4.340 -0.000 0.000 0.204 235 L C 1.477 178.368 176.870 0.036 0.000 1.053 235 L CA 1.292 56.157 54.840 0.042 0.000 0.856 235 L CB -0.171 41.927 42.059 0.066 0.000 1.192 235 L HN 0.741 nan 8.230 nan 0.000 0.484 236 G N -1.224 107.597 108.800 0.034 0.000 2.532 236 G HA2 0.442 4.402 3.960 -0.000 0.000 0.291 236 G HA3 0.442 4.402 3.960 -0.000 0.000 0.291 236 G C -0.690 174.221 174.900 0.019 0.000 1.349 236 G CA 0.055 45.171 45.100 0.027 0.000 1.038 236 G HN 0.096 nan 8.290 nan 0.000 0.518 237 E N -1.202 119.007 120.200 0.016 0.000 3.432 237 E HA 0.095 4.445 4.350 -0.000 0.000 0.228 237 E C -0.052 176.554 176.600 0.010 0.000 1.063 237 E CA -0.395 56.011 56.400 0.009 0.000 1.389 237 E CB -0.109 29.596 29.700 0.008 0.000 1.172 237 E HN 0.353 nan 8.360 nan 0.000 0.383 238 R N 0.459 120.967 120.500 0.013 0.000 2.582 238 R HA 0.235 4.575 4.340 -0.000 0.000 0.271 238 R C 0.732 177.038 176.300 0.010 0.000 1.078 238 R CA 0.067 56.180 56.100 0.022 0.000 1.127 238 R CB 0.703 31.023 30.300 0.035 0.000 1.038 238 R HN 0.360 nan 8.270 nan 0.000 0.500 239 E N -0.191 120.025 120.200 0.027 0.000 2.290 239 E HA 0.017 4.367 4.350 -0.000 0.000 0.197 239 E C 0.478 177.100 176.600 0.035 0.000 0.948 239 E CA 0.292 56.702 56.400 0.017 0.000 0.895 239 E CB 0.302 30.014 29.700 0.019 0.000 0.865 239 E HN 0.489 nan 8.360 nan 0.000 0.486 240 H N 0.891 119.946 119.070 -0.026 0.000 2.524 240 H HA 0.620 5.176 4.556 -0.000 0.000 0.353 240 H C -1.551 173.767 175.328 -0.017 0.000 1.136 240 H CA -0.999 55.032 56.048 -0.028 0.000 1.193 240 H CB 2.077 31.826 29.762 -0.022 0.000 1.558 240 H HN 0.018 nan 8.280 nan 0.000 0.515 241 V N 3.733 123.282 119.914 -0.608 0.000 2.789 241 V HA 0.619 4.739 4.120 -0.000 0.000 0.300 241 V C -1.597 174.246 176.094 -0.419 0.000 1.184 241 V CA -0.175 61.944 62.300 -0.302 0.000 0.930 241 V CB 1.343 33.098 31.823 -0.113 0.000 1.041 241 V HN 1.028 nan 8.190 nan 0.000 0.430 242 A N 7.391 130.102 122.820 -0.182 0.000 2.258 242 A HA 0.847 5.167 4.320 -0.000 0.000 0.316 242 A C -0.644 176.809 177.584 -0.218 0.000 1.279 242 A CA -0.427 51.452 52.037 -0.263 0.000 0.876 242 A CB 0.629 19.499 19.000 -0.217 0.000 1.170 242 A HN 0.909 nan 8.150 nan 0.000 0.520 243 I N 3.628 124.031 120.570 -0.278 0.000 2.291 243 I HA 0.255 4.425 4.170 -0.000 0.000 0.290 243 I C -0.728 175.285 176.117 -0.174 0.000 1.050 243 I CA -0.069 61.167 61.300 -0.106 0.000 1.245 243 I CB 0.277 38.189 38.000 -0.147 0.000 1.405 243 I HN 0.547 nan 8.210 nan 0.000 0.478 244 F N 7.359 127.313 119.950 0.007 0.000 2.418 244 F HA 0.325 4.852 4.527 -0.000 0.000 0.341 244 F C -1.653 174.179 175.800 0.052 0.000 1.120 244 F CA -2.210 55.724 58.000 -0.109 0.000 1.232 244 F CB -0.386 38.505 39.000 -0.182 0.000 1.175 244 F HN 0.276 nan 8.300 nan 0.000 0.569 245 P HA -0.057 nan 4.420 nan 0.000 0.266 245 P C -0.194 177.241 177.300 0.226 0.000 1.186 245 P CA 0.417 63.647 63.100 0.217 0.000 0.767 245 P CB 0.542 32.394 31.700 0.252 0.000 0.820 246 A N 1.545 124.319 122.820 -0.076 0.000 2.238 246 A HA 0.184 4.504 4.320 -0.000 0.000 0.208 246 A C 0.894 178.358 177.584 -0.201 0.000 1.177 246 A CA 0.928 52.727 52.037 -0.398 0.000 0.804 246 A CB -0.350 18.174 19.000 -0.794 0.000 0.823 246 A HN 0.530 nan 8.150 nan 0.000 0.482 247 S N -1.981 113.748 115.700 0.047 0.000 2.569 247 S HA 0.472 4.942 4.470 -0.000 0.000 0.280 247 S C -0.203 174.407 174.600 0.017 0.000 1.111 247 S CA -0.546 57.698 58.200 0.073 0.000 0.887 247 S CB 0.700 63.949 63.200 0.082 0.000 1.095 247 S HN 0.389 nan 8.310 nan 0.000 0.476 248 H N 1.878 120.946 119.070 -0.003 0.000 2.566 248 H HA 0.328 4.884 4.556 0.000 0.000 0.280 248 H C -0.517 174.454 175.328 -0.594 0.000 1.042 248 H CA 0.474 56.297 56.048 -0.376 0.000 1.168 248 H CB -0.117 29.271 29.762 -0.623 0.000 1.340 248 H HN 0.545 nan 8.280 nan 0.000 0.597 249 F N -0.185 119.887 119.950 0.202 0.000 2.815 249 F HA 0.120 4.647 4.527 -0.000 0.000 0.323 249 F C 0.273 176.173 175.800 0.166 0.000 1.151 249 F CA -0.750 57.363 58.000 0.188 0.000 1.191 249 F CB 0.567 39.674 39.000 0.178 0.000 1.069 249 F HN -0.074 nan 8.300 nan 0.000 0.514 250 V N -0.796 119.274 119.914 0.260 0.000 2.686 250 V HA 0.677 4.797 4.120 -0.000 0.000 0.295 250 V C 0.051 176.252 176.094 0.179 0.000 1.055 250 V CA 0.089 62.510 62.300 0.201 0.000 1.050 250 V CB 1.072 32.986 31.823 0.151 0.000 0.984 250 V HN 0.183 nan 8.190 nan 0.000 0.482 251 T N 4.123 118.767 114.554 0.151 0.000 2.912 251 T HA 0.553 4.903 4.350 -0.000 0.000 0.299 251 T C -0.177 174.579 174.700 0.094 0.000 1.052 251 T CA -0.787 61.389 62.100 0.127 0.000 0.996 251 T CB 1.410 70.362 68.868 0.140 0.000 1.070 251 T HN 0.858 nan 8.240 nan 0.000 0.465 252 R N 1.453 121.996 120.500 0.072 0.000 2.697 252 R HA 0.042 4.382 4.340 -0.000 0.000 0.265 252 R C 1.684 178.017 176.300 0.054 0.000 1.009 252 R CA -0.194 55.937 56.100 0.052 0.000 1.099 252 R CB 0.434 30.756 30.300 0.037 0.000 0.965 252 R HN 0.777 nan 8.270 nan 0.000 0.428 253 E N 1.972 122.199 120.200 0.045 0.000 2.086 253 E HA -0.307 4.043 4.350 -0.000 0.000 0.200 253 E C 1.007 177.629 176.600 0.036 0.000 1.012 253 E CA 1.485 57.910 56.400 0.041 0.000 0.812 253 E CB 0.227 29.947 29.700 0.033 0.000 0.743 253 E HN 0.477 nan 8.360 nan 0.000 0.453 254 E N 0.403 120.622 120.200 0.032 0.000 2.153 254 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 254 E C 1.990 178.612 176.600 0.037 0.000 0.988 254 E CA 0.937 57.355 56.400 0.029 0.000 0.811 254 E CB -0.082 29.632 29.700 0.024 0.000 0.746 254 E HN 0.266 nan 8.360 nan 0.000 0.466 255 K N -0.021 120.407 120.400 0.047 0.000 2.103 255 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 255 K C 2.076 178.713 176.600 0.063 0.000 1.052 255 K CA 0.880 57.203 56.287 0.059 0.000 0.945 255 K CB -0.100 32.442 32.500 0.071 0.000 0.722 255 K HN -0.024 nan 8.250 nan 0.000 0.443 256 M N 1.196 120.831 119.600 0.059 0.000 2.086 256 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 256 M C 1.753 178.070 176.300 0.027 0.000 1.067 256 M CA 1.683 57.014 55.300 0.051 0.000 1.116 256 M CB -0.044 32.588 32.600 0.052 0.000 1.348 256 M HN -0.085 nan 8.290 nan 0.000 0.407 257 R N -0.702 119.812 120.500 0.023 0.000 2.127 257 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 257 R C 2.087 178.393 176.300 0.011 0.000 1.134 257 R CA 1.643 57.750 56.100 0.011 0.000 0.975 257 R CB -0.626 29.681 30.300 0.012 0.000 0.865 257 R HN 0.421 nan 8.270 nan 0.000 0.447 258 L N -0.187 121.051 121.223 0.026 0.000 2.202 258 L HA 0.157 4.497 4.340 -0.000 0.000 0.205 258 L C 2.141 179.032 176.870 0.036 0.000 1.083 258 L CA 1.439 56.297 54.840 0.030 0.000 0.790 258 L CB -0.413 41.670 42.059 0.039 0.000 0.942 258 L HN 0.059 nan 8.230 nan 0.000 0.452 259 A N 0.442 123.293 122.820 0.052 0.000 1.873 259 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 259 A C 2.264 179.836 177.584 -0.020 0.000 1.193 259 A CA 2.505 54.581 52.037 0.064 0.000 0.629 259 A CB -1.098 17.960 19.000 0.097 0.000 0.826 259 A HN 0.514 nan 8.150 nan 0.000 0.447 260 I N -0.561 119.985 120.570 -0.040 0.000 2.151 260 I HA -0.379 3.791 4.170 -0.000 0.000 0.243 260 I C 2.806 178.874 176.117 -0.082 0.000 1.080 260 I CA 1.998 63.247 61.300 -0.084 0.000 1.339 260 I CB -0.466 37.492 38.000 -0.071 0.000 1.039 260 I HN 0.478 nan 8.210 nan 0.000 0.409 261 Q N 0.113 119.885 119.800 -0.045 0.000 2.224 261 Q HA -0.158 4.182 4.340 -0.000 0.000 0.203 261 Q C 1.948 177.923 176.000 -0.042 0.000 0.970 261 Q CA 1.047 56.829 55.803 -0.036 0.000 0.865 261 Q CB -0.150 28.581 28.738 -0.012 0.000 0.922 261 Q HN 0.506 nan 8.270 nan 0.000 0.445 262 N N 0.703 119.378 118.700 -0.043 0.000 2.188 262 N HA -0.071 4.669 4.740 -0.000 0.000 0.184 262 N C 1.754 177.143 175.510 -0.202 0.000 1.018 262 N CA 0.960 53.990 53.050 -0.032 0.000 0.858 262 N CB -0.018 38.538 38.487 0.114 0.000 0.989 262 N HN 0.270 nan 8.380 nan 0.000 0.426 263 I N 1.487 121.830 120.570 -0.379 0.000 2.226 263 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 263 I C 2.000 178.027 176.117 -0.149 0.000 1.100 263 I CA 1.122 62.179 61.300 -0.405 0.000 1.374 263 I CB -0.227 37.593 38.000 -0.300 0.000 1.057 263 I HN 0.136 nan 8.210 nan 0.000 0.413 264 E N 0.533 120.672 120.200 -0.101 0.000 2.058 264 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 264 E C 2.261 178.843 176.600 -0.030 0.000 0.997 264 E CA 1.218 57.586 56.400 -0.053 0.000 0.801 264 E CB -0.090 29.584 29.700 -0.044 0.000 0.746 264 E HN 0.535 nan 8.360 nan 0.000 0.450 265 Q N 0.360 120.145 119.800 -0.024 0.000 2.084 265 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 265 Q C 2.213 178.222 176.000 0.016 0.000 0.978 265 Q CA 1.158 56.962 55.803 0.001 0.000 0.844 265 Q CB -0.080 28.667 28.738 0.015 0.000 0.898 265 Q HN 0.313 nan 8.270 nan 0.000 0.426 266 E N 0.653 120.866 120.200 0.021 0.000 2.077 266 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 266 E C 2.038 178.659 176.600 0.034 0.000 0.989 266 E CA 0.705 57.140 56.400 0.058 0.000 0.800 266 E CB 0.005 29.791 29.700 0.143 0.000 0.746 266 E HN 0.182 nan 8.360 nan 0.000 0.452 267 L N 1.839 123.072 121.223 0.016 0.000 2.012 267 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 267 L C 2.319 179.190 176.870 0.002 0.000 1.073 267 L CA 2.446 57.292 54.840 0.011 0.000 0.748 267 L CB -0.631 41.431 42.059 0.006 0.000 0.891 267 L HN 0.224 nan 8.230 nan 0.000 0.431 268 E N -0.729 119.471 120.200 0.000 0.000 2.077 268 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 268 E C 1.979 178.579 176.600 0.001 0.000 0.989 268 E CA 1.561 57.960 56.400 -0.002 0.000 0.800 268 E CB -0.140 29.559 29.700 -0.003 0.000 0.746 268 E HN 0.676 nan 8.360 nan 0.000 0.452 269 E N 0.121 120.326 120.200 0.008 0.000 2.031 269 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 269 E C 2.217 178.820 176.600 0.004 0.000 0.994 269 E CA 1.346 57.751 56.400 0.009 0.000 0.800 269 E CB -0.104 29.607 29.700 0.019 0.000 0.752 269 E HN 0.102 nan 8.360 nan 0.000 0.447 270 R N 0.741 121.244 120.500 0.006 0.000 2.096 270 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 270 R C 2.097 178.388 176.300 -0.015 0.000 1.127 270 R CA 1.013 57.111 56.100 -0.003 0.000 0.968 270 R CB -0.222 30.078 30.300 -0.000 0.000 0.861 270 R HN 0.142 nan 8.270 nan 0.000 0.440 271 L N -0.118 121.096 121.223 -0.016 0.000 2.046 271 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 271 L C 2.632 179.490 176.870 -0.021 0.000 1.077 271 L CA 1.323 56.149 54.840 -0.023 0.000 0.747 271 L CB -0.603 41.443 42.059 -0.022 0.000 0.896 271 L HN 0.353 nan 8.230 nan 0.000 0.432 272 A N -0.284 122.527 122.820 -0.014 0.000 1.902 272 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 272 A C 2.231 179.807 177.584 -0.014 0.000 1.181 272 A CA 1.833 53.862 52.037 -0.012 0.000 0.623 272 A CB -0.481 18.515 19.000 -0.007 0.000 0.818 272 A HN 0.488 nan 8.150 nan 0.000 0.443 273 E N 0.020 120.212 120.200 -0.013 0.000 2.001 273 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 273 E C 1.935 178.522 176.600 -0.021 0.000 1.002 273 E CA 1.380 57.772 56.400 -0.015 0.000 0.819 273 E CB -0.340 29.352 29.700 -0.012 0.000 0.769 273 E HN 0.538 nan 8.360 nan 0.000 0.454 274 L N 0.368 121.574 121.223 -0.029 0.000 2.034 274 L HA -0.282 4.058 4.340 -0.000 0.000 0.217 274 L C 2.832 179.681 176.870 -0.034 0.000 1.077 274 L CA 1.912 56.729 54.840 -0.038 0.000 0.769 274 L CB -0.520 41.509 42.059 -0.050 0.000 0.890 274 L HN 0.175 nan 8.230 nan 0.000 0.435 275 R N -0.615 119.867 120.500 -0.029 0.000 2.235 275 R HA 0.000 4.340 4.340 -0.000 0.000 0.213 275 R C 2.233 178.521 176.300 -0.020 0.000 1.059 275 R CA 0.797 56.882 56.100 -0.025 0.000 0.997 275 R CB -0.251 30.035 30.300 -0.023 0.000 0.884 275 R HN 0.386 nan 8.270 nan 0.000 0.462 276 A N 1.651 124.460 122.820 -0.018 0.000 1.975 276 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 276 A C 1.842 179.418 177.584 -0.015 0.000 1.170 276 A CA 0.588 52.617 52.037 -0.014 0.000 0.656 276 A CB -0.064 18.929 19.000 -0.012 0.000 0.821 276 A HN 0.394 nan 8.150 nan 0.000 0.449 277 Q N -1.377 118.412 119.800 -0.018 0.000 2.280 277 Q HA 0.397 4.737 4.340 -0.000 0.000 0.202 277 Q C 0.911 176.900 176.000 -0.019 0.000 0.903 277 Q CA 0.417 56.210 55.803 -0.018 0.000 0.948 277 Q CB -0.175 28.550 28.738 -0.021 0.000 1.058 277 Q HN 0.767 nan 8.270 nan 0.000 0.493 278 G N 1.869 110.657 108.800 -0.019 0.000 2.162 278 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 278 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 278 G C 0.210 175.096 174.900 -0.023 0.000 0.976 278 G CA 0.224 45.314 45.100 -0.018 0.000 0.655 278 G HN 0.341 nan 8.290 nan 0.000 0.533 279 K N 0.858 121.240 120.400 -0.031 0.000 3.006 279 K HA 0.376 4.696 4.320 -0.000 0.000 0.265 279 K C 1.897 178.470 176.600 -0.046 0.000 1.279 279 K CA -0.356 55.907 56.287 -0.040 0.000 1.229 279 K CB -0.080 32.387 32.500 -0.056 0.000 1.555 279 K HN 0.386 nan 8.250 nan 0.000 0.300 280 L N 0.544 121.745 121.223 -0.037 0.000 2.042 280 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 280 L C 2.214 179.053 176.870 -0.052 0.000 1.076 280 L CA 1.011 55.827 54.840 -0.039 0.000 0.749 280 L CB -0.448 41.594 42.059 -0.029 0.000 0.893 280 L HN 0.466 nan 8.230 nan 0.000 0.432 281 L N 0.427 121.620 121.223 -0.050 0.000 2.046 281 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 281 L C 2.240 179.046 176.870 -0.107 0.000 1.077 281 L CA 1.975 56.776 54.840 -0.065 0.000 0.747 281 L CB -0.796 41.239 42.059 -0.041 0.000 0.896 281 L HN 0.231 nan 8.230 nan 0.000 0.432 282 E N 0.487 120.623 120.200 -0.106 0.000 2.106 282 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 282 E C 2.295 178.810 176.600 -0.142 0.000 0.984 282 E CA 1.433 57.743 56.400 -0.151 0.000 0.806 282 E CB -0.381 29.242 29.700 -0.128 0.000 0.750 282 E HN 0.610 nan 8.360 nan 0.000 0.458 283 A N 0.930 123.690 122.820 -0.100 0.000 1.883 283 A HA -0.328 3.992 4.320 -0.000 0.000 0.217 283 A C 2.207 179.735 177.584 -0.093 0.000 1.186 283 A CA 1.907 53.894 52.037 -0.084 0.000 0.624 283 A CB -0.685 18.280 19.000 -0.058 0.000 0.822 283 A HN 0.293 nan 8.150 nan 0.000 0.444 284 Q N -0.538 119.206 119.800 -0.094 0.000 2.077 284 Q HA -0.274 4.066 4.340 -0.000 0.000 0.206 284 Q C 2.373 178.295 176.000 -0.130 0.000 0.989 284 Q CA 2.089 57.835 55.803 -0.094 0.000 0.853 284 Q CB -0.195 28.492 28.738 -0.084 0.000 0.907 284 Q HN 0.693 nan 8.270 nan 0.000 0.418 285 R N -0.133 120.250 120.500 -0.194 0.000 2.082 285 R HA -0.204 4.136 4.340 -0.000 0.000 0.234 285 R C 2.410 178.573 176.300 -0.228 0.000 1.136 285 R CA 1.664 57.595 56.100 -0.281 0.000 0.935 285 R CB -0.540 29.461 30.300 -0.499 0.000 0.842 285 R HN 0.359 nan 8.270 nan 0.000 0.430 286 L N 1.584 122.683 121.223 -0.207 0.000 2.043 286 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 286 L C 2.246 179.078 176.870 -0.064 0.000 1.075 286 L CA 2.064 56.828 54.840 -0.126 0.000 0.752 286 L CB -0.530 41.468 42.059 -0.102 0.000 0.891 286 L HN 0.359 nan 8.230 nan 0.000 0.432 287 E N -1.389 118.773 120.200 -0.063 0.000 2.072 287 E HA -0.263 4.087 4.350 -0.000 0.000 0.191 287 E C 2.185 178.774 176.600 -0.019 0.000 0.985 287 E CA 1.143 57.523 56.400 -0.033 0.000 0.801 287 E CB -0.022 29.656 29.700 -0.036 0.000 0.750 287 E HN 0.605 nan 8.360 nan 0.000 0.452 288 Q N -0.052 119.725 119.800 -0.038 0.000 2.084 288 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 288 Q C 2.206 178.219 176.000 0.021 0.000 0.978 288 Q CA 1.544 57.335 55.803 -0.021 0.000 0.844 288 Q CB 0.115 28.820 28.738 -0.056 0.000 0.898 288 Q HN 0.149 nan 8.270 nan 0.000 0.426 289 R N -0.957 119.546 120.500 0.004 0.000 2.073 289 R HA -0.023 4.317 4.340 -0.000 0.000 0.229 289 R C 2.235 178.614 176.300 0.132 0.000 1.120 289 R CA 1.606 57.745 56.100 0.065 0.000 0.967 289 R CB -0.260 30.050 30.300 0.017 0.000 0.862 289 R HN 0.187 nan 8.270 nan 0.000 0.436 290 T N 0.881 115.490 114.554 0.092 0.000 2.857 290 T HA -0.029 4.321 4.350 -0.000 0.000 0.266 290 T C 1.787 176.525 174.700 0.064 0.000 1.048 290 T CA 0.883 63.050 62.100 0.113 0.000 1.139 290 T CB -0.042 68.879 68.868 0.089 0.000 0.874 290 T HN 0.223 nan 8.240 nan 0.000 0.455 291 R N -0.047 120.484 120.500 0.052 0.000 2.115 291 R HA -0.058 4.282 4.340 -0.000 0.000 0.230 291 R C 2.263 178.587 176.300 0.041 0.000 1.111 291 R CA 1.114 57.230 56.100 0.027 0.000 0.976 291 R CB -0.424 29.892 30.300 0.026 0.000 0.870 291 R HN 0.494 nan 8.270 nan 0.000 0.445 292 Y N 1.988 122.271 120.300 -0.027 0.000 2.263 292 Y HA -0.133 4.417 4.550 0.000 0.000 0.292 292 Y C 1.582 177.450 175.900 -0.052 0.000 1.130 292 Y CA 1.332 59.412 58.100 -0.033 0.000 1.179 292 Y CB -0.085 38.364 38.460 -0.018 0.000 0.998 292 Y HN -0.073 nan 8.280 nan 0.000 0.532 293 D N 0.356 120.677 120.400 -0.132 0.000 2.117 293 D HA -0.155 4.485 4.640 -0.000 0.000 0.198 293 D C 2.106 178.218 176.300 -0.314 0.000 0.982 293 D CA 1.452 55.313 54.000 -0.231 0.000 0.828 293 D CB -0.308 40.471 40.800 -0.034 0.000 0.967 293 D HN 0.410 nan 8.370 nan 0.000 0.464 294 L N 0.490 121.576 121.223 -0.228 0.000 2.376 294 L HA -0.068 4.272 4.340 -0.000 0.000 0.219 294 L C 2.107 178.855 176.870 -0.203 0.000 1.133 294 L CA 0.796 55.504 54.840 -0.221 0.000 0.816 294 L CB -0.053 41.920 42.059 -0.143 0.000 0.933 294 L HN 0.010 nan 8.230 nan 0.000 0.449 295 E N -0.612 119.452 120.200 -0.226 0.000 2.122 295 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 295 E C 2.264 178.709 176.600 -0.259 0.000 0.977 295 E CA 0.734 57.010 56.400 -0.206 0.000 0.820 295 E CB 0.095 29.687 29.700 -0.182 0.000 0.770 295 E HN 0.364 nan 8.360 nan 0.000 0.462 296 M N -0.120 119.251 119.600 -0.382 0.000 2.229 296 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 296 M C 2.147 178.266 176.300 -0.301 0.000 1.063 296 M CA 1.329 56.392 55.300 -0.394 0.000 1.114 296 M CB -0.446 31.841 32.600 -0.522 0.000 1.387 296 M HN 0.213 nan 8.290 nan 0.000 0.420 297 M N -1.019 118.425 119.600 -0.260 0.000 2.200 297 M HA -0.132 4.348 4.480 -0.000 0.000 0.265 297 M C 2.177 178.412 176.300 -0.108 0.000 1.066 297 M CA 1.351 56.546 55.300 -0.175 0.000 1.127 297 M CB -0.266 32.210 32.600 -0.206 0.000 1.379 297 M HN 0.168 nan 8.290 nan 0.000 0.420 298 R N -0.199 120.231 120.500 -0.117 0.000 2.153 298 R HA -0.049 4.291 4.340 -0.000 0.000 0.218 298 R C 1.844 178.110 176.300 -0.057 0.000 1.072 298 R CA 0.858 56.913 56.100 -0.075 0.000 0.990 298 R CB 0.031 30.284 30.300 -0.078 0.000 0.889 298 R HN 0.460 nan 8.270 nan 0.000 0.452 299 E N 0.035 120.187 120.200 -0.081 0.000 2.102 299 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 299 E C 0.957 177.539 176.600 -0.029 0.000 0.971 299 E CA 1.005 57.369 56.400 -0.060 0.000 0.821 299 E CB 0.391 30.038 29.700 -0.089 0.000 0.777 299 E HN 0.253 nan 8.360 nan 0.000 0.460 300 M N -3.027 116.550 119.600 -0.038 0.000 2.821 300 M HA 0.450 4.930 4.480 -0.000 0.000 0.432 300 M C 0.771 177.176 176.300 0.175 0.000 1.291 300 M CA 0.167 55.502 55.300 0.059 0.000 0.838 300 M CB 1.362 33.999 32.600 0.062 0.000 1.505 300 M HN 0.041 nan 8.290 nan 0.000 0.523 301 G N 1.557 110.417 108.800 0.100 0.000 2.196 301 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.268 301 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.268 301 G C -0.085 174.976 174.900 0.268 0.000 0.975 301 G CA 1.119 46.312 45.100 0.154 0.000 0.648 301 G HN 0.908 nan 8.290 nan 0.000 0.538 302 F N -1.503 118.433 119.950 -0.023 0.000 2.745 302 F HA 0.744 5.271 4.527 0.000 0.000 0.316 302 F C 0.091 175.855 175.800 -0.059 0.000 1.155 302 F CA -0.910 57.077 58.000 -0.021 0.000 0.937 302 F CB 0.670 39.685 39.000 0.025 0.000 1.361 302 F HN 0.766 nan 8.300 nan 0.000 0.472 303 C N -0.533 118.657 119.300 -0.184 0.000 3.292 303 C HA 0.869 5.329 4.460 -0.000 0.000 0.369 303 C C -0.567 174.413 174.990 -0.018 0.000 1.664 303 C CA -0.404 58.439 59.018 -0.291 0.000 1.204 303 C CB 1.171 28.767 27.740 -0.240 0.000 1.978 303 C HN 1.199 nan 8.230 nan 0.000 0.435 304 S N -0.350 115.355 115.700 0.008 0.000 2.586 304 S HA 0.606 5.076 4.470 -0.000 0.000 0.274 304 S C 0.884 175.545 174.600 0.101 0.000 1.281 304 S CA 0.478 58.736 58.200 0.097 0.000 1.035 304 S CB 0.598 63.862 63.200 0.107 0.000 0.962 304 S HN 2.924 nan 8.310 nan 0.000 0.512 305 G N 1.121 109.961 108.800 0.067 0.000 2.273 305 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.280 305 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.280 305 G C 0.280 175.216 174.900 0.060 0.000 1.047 305 G CA 0.316 45.430 45.100 0.023 0.000 0.869 305 G HN 0.879 nan 8.290 nan 0.000 0.502 306 I N -0.546 120.051 120.570 0.044 0.000 2.614 306 I HA -0.129 4.041 4.170 -0.000 0.000 0.258 306 I C 2.376 178.415 176.117 -0.131 0.000 1.189 306 I CA 1.920 63.273 61.300 0.088 0.000 1.462 306 I CB 0.036 38.090 38.000 0.090 0.000 1.092 306 I HN 0.411 nan 8.210 nan 0.000 0.442 307 E N 1.029 120.941 120.200 -0.480 0.000 2.147 307 E HA -0.276 4.074 4.350 -0.000 0.000 0.199 307 E C 1.734 178.157 176.600 -0.295 0.000 1.005 307 E CA 1.484 57.434 56.400 -0.750 0.000 0.810 307 E CB -0.604 28.781 29.700 -0.524 0.000 0.736 307 E HN 0.503 nan 8.360 nan 0.000 0.460 308 N N -0.379 118.195 118.700 -0.210 0.000 2.430 308 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 308 N C 0.617 175.923 175.510 -0.339 0.000 1.032 308 N CA 0.963 53.834 53.050 -0.298 0.000 0.893 308 N CB -0.042 38.193 38.487 -0.419 0.000 0.957 308 N HN 0.373 nan 8.380 nan 0.000 0.442 309 Y N -0.054 120.242 120.300 -0.007 0.000 2.507 309 Y HA 0.100 4.650 4.550 0.000 0.000 0.254 309 Y C 2.174 178.151 175.900 0.128 0.000 1.171 309 Y CA -0.280 57.876 58.100 0.093 0.000 1.238 309 Y CB 0.150 38.653 38.460 0.071 0.000 1.148 309 Y HN 0.044 nan 8.280 nan 0.000 0.525 310 S N 0.524 116.337 115.700 0.189 0.000 2.370 310 S HA -0.272 4.198 4.470 -0.000 0.000 0.226 310 S C 2.213 176.951 174.600 0.231 0.000 1.033 310 S CA 1.170 59.529 58.200 0.264 0.000 1.011 310 S CB -0.240 63.170 63.200 0.351 0.000 0.852 310 S HN 0.425 nan 8.310 nan 0.000 0.457 311 R N 0.819 121.395 120.500 0.126 0.000 2.096 311 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 311 R C 2.145 178.469 176.300 0.039 0.000 1.127 311 R CA 1.716 57.842 56.100 0.044 0.000 0.968 311 R CB -0.900 29.359 30.300 -0.068 0.000 0.861 311 R HN 0.619 nan 8.270 nan 0.000 0.440 312 H N 0.638 119.792 119.070 0.140 0.000 2.357 312 H HA -0.057 4.499 4.556 -0.000 0.000 0.301 312 H C 2.176 177.586 175.328 0.136 0.000 1.082 312 H CA 1.439 57.569 56.048 0.135 0.000 1.342 312 H CB -0.050 29.808 29.762 0.161 0.000 1.389 312 H HN 0.187 nan 8.280 nan 0.000 0.511 313 L N -0.089 121.314 121.223 0.300 0.000 2.093 313 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 313 L C 2.654 179.649 176.870 0.209 0.000 1.085 313 L CA 0.898 55.879 54.840 0.235 0.000 0.755 313 L CB -0.470 41.741 42.059 0.254 0.000 0.904 313 L HN 0.176 nan 8.230 nan 0.000 0.435 314 A N -0.505 122.447 122.820 0.220 0.000 2.168 314 A HA 0.038 4.358 4.320 -0.000 0.000 0.215 314 A C 1.431 179.114 177.584 0.166 0.000 1.152 314 A CA 0.065 52.227 52.037 0.209 0.000 0.716 314 A CB -0.262 18.892 19.000 0.258 0.000 0.794 314 A HN 0.430 nan 8.150 nan 0.000 0.465 315 L N -1.072 120.242 121.223 0.151 0.000 3.597 315 L HA -0.221 4.119 4.340 -0.000 0.000 0.440 315 L C 0.144 177.070 176.870 0.094 0.000 1.277 315 L CA 0.094 55.008 54.840 0.124 0.000 0.852 315 L CB -1.473 40.653 42.059 0.112 0.000 1.708 315 L HN 0.482 nan 8.230 nan 0.000 0.885 316 R N -0.145 120.398 120.500 0.071 0.000 2.828 316 R HA 0.670 5.010 4.340 -0.000 0.000 0.264 316 R C -2.237 174.064 176.300 0.001 0.000 1.022 316 R CA -1.823 54.299 56.100 0.038 0.000 1.021 316 R CB 0.802 31.116 30.300 0.024 0.000 1.163 316 R HN -0.162 nan 8.270 nan 0.000 0.494 317 P HA 0.162 nan 4.420 nan 0.000 0.271 317 P C -2.481 174.797 177.300 -0.036 0.000 1.218 317 P CA -1.377 61.715 63.100 -0.013 0.000 0.780 317 P CB -0.141 31.554 31.700 -0.007 0.000 0.901 318 P HA 0.076 nan 4.420 nan 0.000 0.265 318 P C 0.994 178.277 177.300 -0.030 0.000 1.193 318 P CA 1.163 64.234 63.100 -0.048 0.000 0.765 318 P CB 0.082 31.765 31.700 -0.029 0.000 0.823 319 G N 1.516 110.299 108.800 -0.028 0.000 2.195 319 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.246 319 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.246 319 G C 0.478 175.362 174.900 -0.025 0.000 0.984 319 G CA -0.019 45.072 45.100 -0.013 0.000 0.633 319 G HN 0.590 nan 8.290 nan 0.000 0.525 320 S N 1.236 116.909 115.700 -0.045 0.000 2.563 320 S HA 0.410 4.880 4.470 -0.000 0.000 0.284 320 S C 0.854 175.405 174.600 -0.082 0.000 1.331 320 S CA 0.725 58.880 58.200 -0.074 0.000 1.047 320 S CB 0.792 63.933 63.200 -0.098 0.000 0.859 320 S HN 0.468 nan 8.310 nan 0.000 0.514 321 T N 5.933 120.421 114.554 -0.110 0.000 2.799 321 T HA 0.218 4.568 4.350 -0.000 0.000 0.296 321 T C -2.016 172.585 174.700 -0.166 0.000 0.947 321 T CA -0.860 61.177 62.100 -0.105 0.000 1.141 321 T CB 0.176 68.981 68.868 -0.105 0.000 0.891 321 T HN 0.388 nan 8.240 nan 0.000 0.533 322 P HA 0.099 nan 4.420 nan 0.000 0.269 322 P C -0.586 176.667 177.300 -0.078 0.000 1.217 322 P CA -0.229 62.843 63.100 -0.047 0.000 0.783 322 P CB 0.407 32.152 31.700 0.075 0.000 0.898 323 Y N -0.176 120.169 120.300 0.074 0.000 2.307 323 Y HA 0.443 4.993 4.550 0.000 0.000 0.324 323 Y C 1.487 177.439 175.900 0.087 0.000 1.238 323 Y CA 0.305 58.434 58.100 0.048 0.000 1.280 323 Y CB 1.211 39.680 38.460 0.016 0.000 1.248 323 Y HN 0.392 nan 8.280 nan 0.000 0.508 324 T N -1.372 113.339 114.554 0.262 0.000 2.787 324 T HA 0.187 4.537 4.350 -0.000 0.000 0.297 324 T C 0.190 175.005 174.700 0.192 0.000 1.221 324 T CA -0.961 61.252 62.100 0.189 0.000 1.006 324 T CB 0.832 69.778 68.868 0.131 0.000 1.328 324 T HN 0.516 nan 8.240 nan 0.000 0.509 325 L N 0.658 121.874 121.223 -0.013 0.000 2.197 325 L HA -0.057 4.283 4.340 -0.000 0.000 0.215 325 L C 2.203 179.093 176.870 0.034 0.000 1.095 325 L CA 1.642 56.355 54.840 -0.212 0.000 0.764 325 L CB -0.907 40.727 42.059 -0.708 0.000 0.897 325 L HN 0.693 nan 8.230 nan 0.000 0.436 326 L N -1.167 120.107 121.223 0.085 0.000 2.046 326 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 326 L C 2.087 178.914 176.870 -0.072 0.000 1.077 326 L CA 1.608 56.483 54.840 0.059 0.000 0.747 326 L CB -1.158 40.948 42.059 0.078 0.000 0.896 326 L HN 0.363 nan 8.230 nan 0.000 0.432 327 D N -0.433 119.963 120.400 -0.006 0.000 2.219 327 D HA -0.192 4.448 4.640 -0.000 0.000 0.205 327 D C 2.040 178.222 176.300 -0.197 0.000 0.970 327 D CA 1.257 55.208 54.000 -0.083 0.000 0.851 327 D CB -0.110 40.691 40.800 0.001 0.000 0.943 327 D HN 0.376 nan 8.370 nan 0.000 0.488 328 Y N 0.117 120.265 120.300 -0.253 0.000 2.352 328 Y HA -0.050 4.500 4.550 -0.000 0.000 0.292 328 Y C 1.068 176.588 175.900 -0.632 0.000 1.136 328 Y CA 0.264 58.100 58.100 -0.440 0.000 1.227 328 Y CB -0.379 37.750 38.460 -0.551 0.000 0.991 328 Y HN -0.161 nan 8.280 nan 0.000 0.545 329 F N 0.631 120.335 119.950 -0.410 0.000 2.403 329 F HA 0.231 4.758 4.527 0.000 0.000 0.320 329 F C -1.386 174.163 175.800 -0.418 0.000 1.176 329 F CA -2.429 55.276 58.000 -0.491 0.000 1.206 329 F CB -0.294 38.208 39.000 -0.830 0.000 1.235 329 F HN -0.191 nan 8.300 nan 0.000 0.565 330 P HA -0.003 nan 4.420 nan 0.000 0.274 330 P C 0.121 177.414 177.300 -0.012 0.000 1.264 330 P CA -0.004 63.083 63.100 -0.023 0.000 0.795 330 P CB 0.562 32.291 31.700 0.048 0.000 1.064 331 D N -0.250 120.174 120.400 0.041 0.000 2.162 331 D HA -0.112 4.528 4.640 -0.000 0.000 0.203 331 D C 0.674 177.088 176.300 0.189 0.000 0.967 331 D CA 1.255 55.304 54.000 0.082 0.000 0.840 331 D CB -0.367 40.465 40.800 0.053 0.000 0.972 331 D HN 0.534 nan 8.370 nan 0.000 0.482 332 D N 1.051 121.547 120.400 0.161 0.000 2.881 332 D HA -0.035 4.605 4.640 -0.000 0.000 0.240 332 D C 0.566 176.984 176.300 0.196 0.000 1.249 332 D CA -0.524 53.562 54.000 0.143 0.000 0.839 332 D CB -1.094 39.751 40.800 0.075 0.000 1.042 332 D HN 0.222 nan 8.370 nan 0.000 0.475 333 F N -0.655 119.264 119.950 -0.052 0.000 2.284 333 F HA 0.582 5.109 4.527 -0.000 0.000 0.297 333 F C -0.648 175.052 175.800 -0.168 0.000 1.215 333 F CA -1.561 56.382 58.000 -0.094 0.000 1.120 333 F CB 0.597 39.496 39.000 -0.169 0.000 1.426 333 F HN -0.100 nan 8.300 nan 0.000 0.514 334 L N 1.881 122.885 121.223 -0.364 0.000 2.410 334 L HA 0.567 4.907 4.340 -0.000 0.000 0.270 334 L C -1.288 175.260 176.870 -0.537 0.000 0.983 334 L CA -0.827 53.732 54.840 -0.469 0.000 0.822 334 L CB 1.670 43.590 42.059 -0.233 0.000 1.285 334 L HN 0.631 nan 8.230 nan 0.000 0.409 335 I N 5.595 125.813 120.570 -0.587 0.000 2.412 335 I HA 0.436 4.606 4.170 -0.000 0.000 0.296 335 I C -0.808 175.131 176.117 -0.295 0.000 0.987 335 I CA -0.600 60.445 61.300 -0.424 0.000 1.180 335 I CB 1.947 39.681 38.000 -0.444 0.000 1.340 335 I HN 0.518 nan 8.210 nan 0.000 0.455 336 I N 6.196 126.658 120.570 -0.180 0.000 2.447 336 I HA 0.250 4.420 4.170 -0.000 0.000 0.287 336 I C -0.550 175.546 176.117 -0.035 0.000 1.023 336 I CA -0.438 60.793 61.300 -0.114 0.000 1.083 336 I CB 1.979 39.939 38.000 -0.067 0.000 1.245 336 I HN 0.153 nan 8.210 nan 0.000 0.434 337 V N 5.558 125.473 119.914 0.001 0.000 2.318 337 V HA 0.213 4.333 4.120 -0.000 0.000 0.271 337 V C -0.180 176.001 176.094 0.146 0.000 1.030 337 V CA -0.599 61.770 62.300 0.116 0.000 0.844 337 V CB 1.181 33.159 31.823 0.258 0.000 1.015 337 V HN 0.673 nan 8.190 nan 0.000 0.460 338 D N 4.294 124.772 120.400 0.130 0.000 2.304 338 D HA 0.225 4.865 4.640 -0.000 0.000 0.250 338 D C 0.405 176.798 176.300 0.155 0.000 1.107 338 D CA 0.014 54.102 54.000 0.147 0.000 0.885 338 D CB 0.645 41.535 40.800 0.149 0.000 1.192 338 D HN 0.546 nan 8.370 nan 0.000 0.436 339 E N 2.001 122.299 120.200 0.162 0.000 2.252 339 E HA -0.213 4.137 4.350 -0.000 0.000 0.218 339 E C 0.951 177.554 176.600 0.005 0.000 1.253 339 E CA 0.874 57.344 56.400 0.117 0.000 0.705 339 E CB -1.906 27.822 29.700 0.048 0.000 1.172 339 E HN 0.551 nan 8.360 nan 0.000 0.369 340 S N -0.074 115.720 115.700 0.156 0.000 2.400 340 S HA -0.265 4.205 4.470 -0.000 0.000 0.232 340 S C 1.743 176.370 174.600 0.045 0.000 1.025 340 S CA 1.535 59.819 58.200 0.140 0.000 0.993 340 S CB -0.547 62.817 63.200 0.273 0.000 0.808 340 S HN 0.649 nan 8.310 nan 0.000 0.478 341 H N 0.863 119.942 119.070 0.015 0.000 2.489 341 H HA 0.056 4.612 4.556 -0.000 0.000 0.295 341 H C 2.218 177.536 175.328 -0.017 0.000 1.082 341 H CA 1.491 57.538 56.048 -0.001 0.000 1.295 341 H CB -0.886 28.878 29.762 0.004 0.000 1.380 341 H HN 0.516 nan 8.280 nan 0.000 0.548 342 V N 0.667 120.206 119.914 -0.625 0.000 2.908 342 V HA -0.037 4.083 4.120 -0.000 0.000 0.240 342 V C 2.063 177.992 176.094 -0.274 0.000 1.117 342 V CA 1.307 63.333 62.300 -0.458 0.000 1.133 342 V CB -0.138 31.308 31.823 -0.628 0.000 0.857 342 V HN 0.392 nan 8.190 nan 0.000 0.478 343 T N 1.856 116.263 114.554 -0.246 0.000 2.720 343 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 343 T C 1.843 176.525 174.700 -0.030 0.000 1.037 343 T CA 2.385 64.446 62.100 -0.065 0.000 1.144 343 T CB -0.403 68.469 68.868 0.007 0.000 0.864 343 T HN 0.442 nan 8.240 nan 0.000 0.444 344 L N 0.615 121.834 121.223 -0.007 0.000 2.027 344 L HA -0.039 4.301 4.340 -0.000 0.000 0.206 344 L C -0.481 176.369 176.870 -0.034 0.000 1.074 344 L CA 1.277 56.139 54.840 0.036 0.000 0.745 344 L CB -1.595 40.492 42.059 0.046 0.000 0.898 344 L HN 0.194 nan 8.230 nan 0.000 0.433 345 P HA -0.193 nan 4.420 nan 0.000 0.218 345 P C 1.529 178.795 177.300 -0.057 0.000 1.149 345 P CA 1.168 64.212 63.100 -0.094 0.000 0.817 345 P CB 0.052 31.711 31.700 -0.068 0.000 0.785 346 Q N -0.562 119.213 119.800 -0.042 0.000 2.020 346 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 346 Q C 2.052 178.037 176.000 -0.024 0.000 0.982 346 Q CA 1.351 57.141 55.803 -0.021 0.000 0.838 346 Q CB -0.775 27.968 28.738 0.009 0.000 0.899 346 Q HN 0.082 nan 8.270 nan 0.000 0.423 347 L N 0.727 121.925 121.223 -0.041 0.000 2.013 347 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 347 L C 2.665 179.565 176.870 0.050 0.000 1.073 347 L CA 2.091 56.888 54.840 -0.072 0.000 0.753 347 L CB -0.413 41.528 42.059 -0.197 0.000 0.890 347 L HN 0.207 nan 8.230 nan 0.000 0.432 348 R N -0.970 119.604 120.500 0.123 0.000 2.127 348 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 348 R C 1.969 178.310 176.300 0.068 0.000 1.134 348 R CA 1.483 57.653 56.100 0.117 0.000 0.975 348 R CB -0.479 29.703 30.300 -0.196 0.000 0.865 348 R HN 0.495 nan 8.270 nan 0.000 0.447 349 G N -0.285 108.534 108.800 0.032 0.000 2.603 349 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.214 349 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.214 349 G C 1.354 176.281 174.900 0.045 0.000 1.140 349 G CA -0.049 45.070 45.100 0.032 0.000 0.800 349 G HN 0.111 nan 8.290 nan 0.000 0.533 350 M N 0.095 119.721 119.600 0.043 0.000 2.108 350 M HA -0.158 4.322 4.480 -0.000 0.000 0.257 350 M C 2.291 178.612 176.300 0.035 0.000 1.071 350 M CA 1.254 56.567 55.300 0.023 0.000 1.093 350 M CB -1.063 31.554 32.600 0.029 0.000 1.345 350 M HN 0.416 nan 8.290 nan 0.000 0.403 351 Y N 1.748 122.039 120.300 -0.014 0.000 2.145 351 Y HA -0.199 4.351 4.550 -0.000 0.000 0.286 351 Y C 2.168 178.058 175.900 -0.017 0.000 1.145 351 Y CA 1.736 59.828 58.100 -0.013 0.000 1.148 351 Y CB -0.415 38.054 38.460 0.015 0.000 0.981 351 Y HN 0.269 nan 8.280 nan 0.000 0.507 352 N N 0.204 118.867 118.700 -0.061 0.000 2.244 352 N HA -0.102 4.638 4.740 -0.000 0.000 0.183 352 N C 1.975 177.392 175.510 -0.155 0.000 1.016 352 N CA 1.314 54.283 53.050 -0.135 0.000 0.866 352 N CB -0.802 37.693 38.487 0.012 0.000 0.980 352 N HN 0.575 nan 8.380 nan 0.000 0.430 353 G N 0.596 109.333 108.800 -0.104 0.000 2.394 353 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.214 353 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.214 353 G C 1.220 176.047 174.900 -0.121 0.000 1.176 353 G CA 0.655 45.704 45.100 -0.086 0.000 0.786 353 G HN 0.328 nan 8.290 nan 0.000 0.533 354 D N 0.631 120.931 120.400 -0.166 0.000 2.097 354 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 354 D C 2.420 178.592 176.300 -0.214 0.000 0.984 354 D CA 0.910 54.796 54.000 -0.189 0.000 0.826 354 D CB -0.055 40.613 40.800 -0.221 0.000 0.973 354 D HN 0.293 nan 8.370 nan 0.000 0.460 355 R N 0.516 120.816 120.500 -0.332 0.000 2.091 355 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 355 R C 2.356 178.550 176.300 -0.176 0.000 1.136 355 R CA 1.626 57.531 56.100 -0.324 0.000 0.959 355 R CB -0.322 29.640 30.300 -0.563 0.000 0.856 355 R HN 0.146 nan 8.270 nan 0.000 0.437 356 A N 1.198 123.930 122.820 -0.147 0.000 1.883 356 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 356 A C 2.233 179.791 177.584 -0.044 0.000 1.186 356 A CA 1.670 53.661 52.037 -0.075 0.000 0.624 356 A CB -0.673 18.291 19.000 -0.060 0.000 0.822 356 A HN 0.481 nan 8.150 nan 0.000 0.444 357 R N -0.775 119.692 120.500 -0.055 0.000 2.115 357 R HA -0.111 4.229 4.340 -0.000 0.000 0.230 357 R C 1.918 178.210 176.300 -0.014 0.000 1.111 357 R CA 1.826 57.909 56.100 -0.029 0.000 0.976 357 R CB -0.150 30.125 30.300 -0.042 0.000 0.870 357 R HN 0.381 nan 8.270 nan 0.000 0.445 358 K N -0.285 120.090 120.400 -0.043 0.000 2.211 358 K HA -0.044 4.276 4.320 -0.000 0.000 0.201 358 K C 1.991 178.591 176.600 0.001 0.000 1.052 358 K CA 0.708 56.978 56.287 -0.029 0.000 0.973 358 K CB 0.150 32.610 32.500 -0.066 0.000 0.766 358 K HN -0.014 nan 8.250 nan 0.000 0.466 359 Q N 0.306 120.100 119.800 -0.010 0.000 2.170 359 Q HA -0.088 4.252 4.340 -0.000 0.000 0.203 359 Q C 1.648 177.688 176.000 0.067 0.000 0.976 359 Q CA 1.415 57.225 55.803 0.012 0.000 0.858 359 Q CB -0.170 28.564 28.738 -0.007 0.000 0.907 359 Q HN 0.106 nan 8.270 nan 0.000 0.433 360 V N 0.128 120.105 119.914 0.105 0.000 2.295 360 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 360 V C 2.247 178.531 176.094 0.317 0.000 1.049 360 V CA 1.747 64.186 62.300 0.232 0.000 1.024 360 V CB -0.618 31.338 31.823 0.222 0.000 0.648 360 V HN 0.338 nan 8.190 nan 0.000 0.447 361 L N -0.306 121.050 121.223 0.222 0.000 2.079 361 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 361 L C 2.410 179.414 176.870 0.223 0.000 1.081 361 L CA 1.125 56.122 54.840 0.262 0.000 0.752 361 L CB -0.756 41.384 42.059 0.135 0.000 0.896 361 L HN 0.195 nan 8.230 nan 0.000 0.433 362 V N -0.587 119.393 119.914 0.110 0.000 2.358 362 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 362 V C 2.080 178.182 176.094 0.013 0.000 1.047 362 V CA 1.710 64.036 62.300 0.044 0.000 1.035 362 V CB -0.526 31.303 31.823 0.011 0.000 0.658 362 V HN 0.413 nan 8.190 nan 0.000 0.452 363 D N -0.749 119.659 120.400 0.014 0.000 2.117 363 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 363 D C 2.030 178.183 176.300 -0.245 0.000 0.987 363 D CA 1.351 55.281 54.000 -0.117 0.000 0.829 363 D CB -0.284 40.423 40.800 -0.155 0.000 0.961 363 D HN 0.514 nan 8.370 nan 0.000 0.460 364 H N -0.880 118.228 119.070 0.064 0.000 2.551 364 H HA 0.218 4.774 4.556 -0.000 0.000 0.266 364 H C 1.342 176.497 175.328 -0.288 0.000 0.964 364 H CA 1.027 57.059 56.048 -0.027 0.000 1.180 364 H CB 0.905 30.738 29.762 0.119 0.000 1.408 364 H HN 0.244 nan 8.280 nan 0.000 0.563 365 G N 0.381 109.096 108.800 -0.142 0.000 2.148 365 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.203 365 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.203 365 G C 0.567 175.237 174.900 -0.383 0.000 0.993 365 G CA 0.038 44.976 45.100 -0.270 0.000 0.661 365 G HN 0.315 nan 8.290 nan 0.000 0.518 366 F N 0.476 120.330 119.950 -0.159 0.000 2.456 366 F HA 0.377 4.904 4.527 -0.000 0.000 0.298 366 F C 1.737 177.465 175.800 -0.120 0.000 1.104 366 F CA 0.778 58.658 58.000 -0.200 0.000 1.435 366 F CB 0.189 39.030 39.000 -0.264 0.000 1.078 366 F HN 0.019 nan 8.300 nan 0.000 0.546 367 R N -0.390 120.147 120.500 0.061 0.000 2.739 367 R HA 0.459 4.799 4.340 -0.000 0.000 0.271 367 R C -1.007 175.280 176.300 -0.021 0.000 1.010 367 R CA -0.880 55.219 56.100 -0.001 0.000 0.897 367 R CB 1.358 31.652 30.300 -0.011 0.000 1.236 367 R HN -0.022 nan 8.270 nan 0.000 0.466 368 L N 2.562 123.759 121.223 -0.043 0.000 2.417 368 L HA 0.240 4.580 4.340 -0.000 0.000 0.268 368 L C -1.127 175.735 176.870 -0.013 0.000 1.158 368 L CA -1.634 53.200 54.840 -0.010 0.000 0.819 368 L CB 0.604 42.680 42.059 0.029 0.000 1.112 368 L HN 0.264 nan 8.230 nan 0.000 0.458 369 P HA -0.211 nan 4.420 nan 0.000 0.216 369 P C 1.584 178.878 177.300 -0.010 0.000 1.150 369 P CA 1.477 64.575 63.100 -0.003 0.000 0.843 369 P CB 0.070 31.773 31.700 0.006 0.000 0.787 370 S N -0.395 115.308 115.700 0.005 0.000 2.440 370 S HA -0.198 4.272 4.470 -0.000 0.000 0.240 370 S C 2.037 176.604 174.600 -0.055 0.000 1.014 370 S CA 1.225 59.407 58.200 -0.030 0.000 0.980 370 S CB -1.421 61.772 63.200 -0.013 0.000 0.775 370 S HN 0.166 nan 8.310 nan 0.000 0.499 371 A N 1.969 124.745 122.820 -0.074 0.000 2.024 371 A HA 0.079 4.399 4.320 -0.000 0.000 0.220 371 A C 2.198 179.740 177.584 -0.070 0.000 1.164 371 A CA 1.439 53.412 52.037 -0.107 0.000 0.643 371 A CB -0.863 18.060 19.000 -0.129 0.000 0.806 371 A HN 0.592 nan 8.150 nan 0.000 0.451 372 L N -0.424 120.770 121.223 -0.049 0.000 2.265 372 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 372 L C 1.264 178.127 176.870 -0.012 0.000 1.117 372 L CA 1.049 55.867 54.840 -0.037 0.000 0.782 372 L CB -0.456 41.588 42.059 -0.025 0.000 0.914 372 L HN 0.236 nan 8.230 nan 0.000 0.441 373 D N -0.528 119.861 120.400 -0.017 0.000 2.363 373 D HA -0.071 4.569 4.640 -0.000 0.000 0.220 373 D C 0.753 177.065 176.300 0.020 0.000 0.994 373 D CA 0.511 54.510 54.000 -0.000 0.000 0.890 373 D CB -0.192 40.590 40.800 -0.030 0.000 0.906 373 D HN 0.279 nan 8.370 nan 0.000 0.530 374 N N 1.371 120.074 118.700 0.006 0.000 2.527 374 N HA 0.160 4.900 4.740 -0.000 0.000 0.236 374 N C -0.588 174.928 175.510 0.009 0.000 0.999 374 N CA -0.168 52.901 53.050 0.033 0.000 0.935 374 N CB 0.678 39.163 38.487 -0.003 0.000 1.132 374 N HN 0.086 nan 8.380 nan 0.000 0.511 375 R N 1.827 122.355 120.500 0.048 0.000 2.741 375 R HA 0.520 4.860 4.340 -0.000 0.000 0.276 375 R C -3.254 173.093 176.300 0.078 0.000 1.028 375 R CA -1.190 54.918 56.100 0.014 0.000 0.865 375 R CB 0.786 31.118 30.300 0.052 0.000 1.268 375 R HN 0.134 nan 8.270 nan 0.000 0.475 376 P HA 0.180 nan 4.420 nan 0.000 0.276 376 P C -0.237 177.175 177.300 0.187 0.000 1.252 376 P CA -0.523 62.677 63.100 0.167 0.000 0.802 376 P CB 0.623 32.408 31.700 0.141 0.000 1.035 377 L N 0.783 122.092 121.223 0.143 0.000 2.483 377 L HA 0.113 4.453 4.340 -0.000 0.000 0.276 377 L C 1.559 178.461 176.870 0.053 0.000 1.213 377 L CA 0.062 54.953 54.840 0.085 0.000 0.843 377 L CB -0.248 41.865 42.059 0.090 0.000 1.107 377 L HN 0.494 nan 8.230 nan 0.000 0.487 378 T N -1.620 112.877 114.554 -0.095 0.000 2.828 378 T HA 0.075 4.425 4.350 -0.000 0.000 0.290 378 T C 0.873 175.592 174.700 0.031 0.000 1.019 378 T CA -0.397 61.602 62.100 -0.168 0.000 1.031 378 T CB 0.639 69.278 68.868 -0.381 0.000 1.001 378 T HN 0.442 nan 8.240 nan 0.000 0.531 379 F N 1.307 121.234 119.950 -0.037 0.000 2.161 379 F HA -0.051 4.476 4.527 0.000 0.000 0.300 379 F C 2.219 178.069 175.800 0.084 0.000 1.089 379 F CA 1.680 59.699 58.000 0.032 0.000 1.282 379 F CB -0.260 38.721 39.000 -0.031 0.000 1.010 379 F HN 0.649 nan 8.300 nan 0.000 0.485 380 E N 0.362 120.669 120.200 0.178 0.000 2.077 380 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 380 E C 2.027 178.634 176.600 0.011 0.000 0.989 380 E CA 1.683 58.145 56.400 0.103 0.000 0.800 380 E CB -0.368 29.375 29.700 0.071 0.000 0.746 380 E HN 0.522 nan 8.360 nan 0.000 0.452 381 E N -0.399 119.796 120.200 -0.008 0.000 2.072 381 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 381 E C 1.744 178.336 176.600 -0.014 0.000 0.985 381 E CA 0.770 57.159 56.400 -0.018 0.000 0.801 381 E CB -0.236 29.450 29.700 -0.025 0.000 0.750 381 E HN 0.213 nan 8.360 nan 0.000 0.452 382 F N 2.282 122.121 119.950 -0.185 0.000 2.120 382 F HA -0.235 4.292 4.527 -0.000 0.000 0.300 382 F C 1.990 177.642 175.800 -0.247 0.000 1.095 382 F CA 1.726 59.575 58.000 -0.251 0.000 1.249 382 F CB -0.147 38.586 39.000 -0.444 0.000 0.995 382 F HN -0.049 nan 8.300 nan 0.000 0.480 383 E N -0.336 119.632 120.200 -0.386 0.000 2.070 383 E HA -0.269 4.081 4.350 -0.000 0.000 0.197 383 E C 2.121 178.583 176.600 -0.231 0.000 1.004 383 E CA 1.707 57.917 56.400 -0.317 0.000 0.805 383 E CB -0.199 29.477 29.700 -0.041 0.000 0.744 383 E HN 0.564 nan 8.360 nan 0.000 0.451 384 Q N -0.074 119.646 119.800 -0.134 0.000 2.436 384 Q HA -0.102 4.238 4.340 -0.000 0.000 0.209 384 Q C 1.466 177.409 176.000 -0.096 0.000 0.965 384 Q CA 0.737 56.491 55.803 -0.082 0.000 0.910 384 Q CB 0.052 28.768 28.738 -0.037 0.000 0.980 384 Q HN 0.010 nan 8.270 nan 0.000 0.491 385 K N 0.471 120.778 120.400 -0.156 0.000 2.426 385 K HA 0.179 4.499 4.320 -0.000 0.000 0.193 385 K C 0.400 176.956 176.600 -0.075 0.000 1.028 385 K CA -0.022 56.218 56.287 -0.078 0.000 1.047 385 K CB 0.391 32.870 32.500 -0.036 0.000 0.821 385 K HN 0.096 nan 8.250 nan 0.000 0.513 386 I N 1.386 121.791 120.570 -0.275 0.000 2.471 386 I HA -0.029 4.141 4.170 -0.000 0.000 0.286 386 I C 1.158 177.124 176.117 -0.252 0.000 1.079 386 I CA -0.215 60.863 61.300 -0.370 0.000 1.398 386 I CB 1.114 38.812 38.000 -0.502 0.000 1.403 386 I HN 0.149 nan 8.210 nan 0.000 0.530 387 N N 4.984 123.492 118.700 -0.320 0.000 2.255 387 N HA 0.023 4.763 4.740 -0.000 0.000 0.192 387 N C -0.077 175.246 175.510 -0.313 0.000 1.049 387 N CA 0.845 53.764 53.050 -0.218 0.000 0.886 387 N CB 0.431 38.834 38.487 -0.139 0.000 1.064 387 N HN 0.637 nan 8.380 nan 0.000 0.457 388 Q N -0.149 119.378 119.800 -0.454 0.000 2.331 388 Q HA 0.514 4.854 4.340 -0.000 0.000 0.272 388 Q C -1.778 173.918 176.000 -0.505 0.000 1.062 388 Q CA -0.499 55.058 55.803 -0.410 0.000 0.806 388 Q CB 2.900 31.466 28.738 -0.287 0.000 1.312 388 Q HN 0.350 nan 8.270 nan 0.000 0.431 389 I N 2.813 123.089 120.570 -0.490 0.000 2.686 389 I HA 0.525 4.695 4.170 -0.000 0.000 0.295 389 I C -1.651 174.152 176.117 -0.522 0.000 1.114 389 I CA -0.860 60.111 61.300 -0.548 0.000 1.038 389 I CB 1.651 39.258 38.000 -0.655 0.000 1.238 389 I HN 0.604 nan 8.210 nan 0.000 0.420 390 I N 7.079 127.360 120.570 -0.482 0.000 2.436 390 I HA 0.332 4.502 4.170 -0.000 0.000 0.289 390 I C -1.296 174.590 176.117 -0.384 0.000 1.010 390 I CA -0.521 60.559 61.300 -0.367 0.000 1.098 390 I CB 1.545 39.439 38.000 -0.177 0.000 1.266 390 I HN 0.394 nan 8.210 nan 0.000 0.434 391 Y N 5.088 125.430 120.300 0.070 0.000 2.320 391 Y HA 0.566 5.116 4.550 0.000 0.000 0.334 391 Y C -0.012 175.938 175.900 0.084 0.000 1.055 391 Y CA -0.952 57.208 58.100 0.100 0.000 1.143 391 Y CB 1.407 39.955 38.460 0.146 0.000 1.193 391 Y HN 0.156 nan 8.280 nan 0.000 0.477 392 V N 2.844 122.897 119.914 0.233 0.000 2.487 392 V HA 0.698 4.818 4.120 -0.000 0.000 0.298 392 V C -0.474 175.730 176.094 0.184 0.000 1.028 392 V CA -0.474 61.925 62.300 0.165 0.000 0.860 392 V CB 1.546 33.442 31.823 0.122 0.000 0.991 392 V HN 0.801 nan 8.190 nan 0.000 0.427 393 S N 3.087 118.880 115.700 0.154 0.000 2.586 393 S HA 0.609 5.079 4.470 -0.000 0.000 0.277 393 S C 0.458 175.096 174.600 0.064 0.000 1.131 393 S CA 0.302 58.594 58.200 0.153 0.000 0.848 393 S CB 1.692 65.029 63.200 0.229 0.000 1.091 393 S HN 1.153 nan 8.310 nan 0.000 0.453 394 A N 1.685 124.513 122.820 0.012 0.000 2.119 394 A HA 0.316 4.636 4.320 -0.000 0.000 0.216 394 A C 1.060 178.587 177.584 -0.094 0.000 1.152 394 A CA 1.388 53.404 52.037 -0.034 0.000 0.708 394 A CB -0.452 18.527 19.000 -0.034 0.000 0.805 394 A HN 1.567 nan 8.150 nan 0.000 0.460 395 T N -2.051 112.393 114.554 -0.184 0.000 3.428 395 T HA 0.480 4.830 4.350 -0.000 0.000 0.301 395 T C -3.248 171.358 174.700 -0.157 0.000 1.323 395 T CA -1.858 60.108 62.100 -0.222 0.000 1.647 395 T CB 0.945 69.585 68.868 -0.380 0.000 0.871 395 T HN -0.069 nan 8.240 nan 0.000 0.627 396 P HA 0.259 nan 4.420 nan 0.000 0.264 396 P C 0.992 178.314 177.300 0.035 0.000 1.183 396 P CA 0.401 63.525 63.100 0.041 0.000 0.763 396 P CB 0.385 32.109 31.700 0.039 0.000 0.807 397 G N 4.004 112.849 108.800 0.074 0.000 2.616 397 G HA2 0.205 4.165 3.960 -0.000 0.000 0.268 397 G HA3 0.205 4.165 3.960 -0.000 0.000 0.268 397 G C -1.636 173.283 174.900 0.032 0.000 1.213 397 G CA -1.112 44.025 45.100 0.063 0.000 0.926 397 G HN 0.276 nan 8.290 nan 0.000 0.523 398 P HA -0.165 nan 4.420 nan 0.000 0.215 398 P C 1.345 178.672 177.300 0.045 0.000 1.153 398 P CA 1.004 64.118 63.100 0.024 0.000 0.853 398 P CB -0.017 31.697 31.700 0.024 0.000 0.788 399 Y N 1.347 121.615 120.300 -0.053 0.000 2.128 399 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 399 Y C 2.099 177.973 175.900 -0.044 0.000 1.154 399 Y CA 1.862 59.947 58.100 -0.025 0.000 1.149 399 Y CB -0.559 37.834 38.460 -0.111 0.000 0.976 399 Y HN -0.074 nan 8.280 nan 0.000 0.505 400 E N 0.482 120.636 120.200 -0.077 0.000 2.038 400 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 400 E C 2.169 178.720 176.600 -0.081 0.000 1.000 400 E CA 1.955 58.194 56.400 -0.269 0.000 0.803 400 E CB -0.648 28.882 29.700 -0.283 0.000 0.750 400 E HN 0.487 nan 8.360 nan 0.000 0.448 401 L N 0.822 122.019 121.223 -0.044 0.000 2.079 401 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 401 L C 2.617 179.442 176.870 -0.076 0.000 1.081 401 L CA 1.450 56.271 54.840 -0.032 0.000 0.752 401 L CB -0.418 41.624 42.059 -0.028 0.000 0.896 401 L HN 0.190 nan 8.230 nan 0.000 0.433 402 E N -0.457 119.669 120.200 -0.122 0.000 2.150 402 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 402 E C 1.445 177.799 176.600 -0.410 0.000 0.985 402 E CA 1.140 57.392 56.400 -0.247 0.000 0.814 402 E CB 0.158 29.693 29.700 -0.275 0.000 0.752 402 E HN 0.624 nan 8.360 nan 0.000 0.466 403 H N -1.382 117.462 119.070 -0.376 0.000 2.652 403 H HA 0.300 4.856 4.556 0.000 0.000 0.274 403 H C -0.226 174.979 175.328 -0.205 0.000 1.021 403 H CA -0.147 55.637 56.048 -0.440 0.000 1.187 403 H CB 0.963 30.180 29.762 -0.908 0.000 1.505 403 H HN -0.148 nan 8.280 nan 0.000 0.530 404 S N 1.032 116.748 115.700 0.026 0.000 2.651 404 S HA 0.281 4.751 4.470 -0.000 0.000 0.291 404 S C -2.291 172.334 174.600 0.041 0.000 1.141 404 S CA -1.308 56.958 58.200 0.110 0.000 1.027 404 S CB 1.278 64.578 63.200 0.167 0.000 1.043 404 S HN 0.057 nan 8.310 nan 0.000 0.530 405 P HA 0.289 nan 4.420 nan 0.000 0.226 405 P C 0.528 177.840 177.300 0.019 0.000 1.783 405 P CA 0.394 63.507 63.100 0.023 0.000 0.980 405 P CB -0.519 31.198 31.700 0.027 0.000 1.967 406 G N 0.393 109.200 108.800 0.012 0.000 2.584 406 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.229 406 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.229 406 G C -0.598 174.319 174.900 0.029 0.000 1.320 406 G CA -0.281 44.826 45.100 0.012 0.000 0.891 406 G HN 0.643 nan 8.290 nan 0.000 0.573 407 V N -3.399 116.530 119.914 0.026 0.000 2.876 407 V HA 0.819 4.939 4.120 -0.000 0.000 0.312 407 V C 0.236 176.347 176.094 0.028 0.000 1.085 407 V CA -0.824 61.498 62.300 0.036 0.000 0.945 407 V CB 1.854 33.696 31.823 0.031 0.000 1.017 407 V HN 1.430 nan 8.190 nan 0.000 0.428 408 V N 3.104 123.037 119.914 0.032 0.000 2.368 408 V HA 0.387 4.507 4.120 -0.000 0.000 0.266 408 V C 0.359 176.462 176.094 0.015 0.000 1.045 408 V CA -0.077 62.234 62.300 0.019 0.000 0.899 408 V CB 0.655 32.487 31.823 0.015 0.000 1.006 408 V HN 1.011 nan 8.190 nan 0.000 0.470 409 E N 3.653 123.858 120.200 0.007 0.000 2.229 409 E HA 0.352 4.702 4.350 -0.000 0.000 0.283 409 E C -0.310 176.283 176.600 -0.012 0.000 1.030 409 E CA -0.248 56.152 56.400 0.000 0.000 0.836 409 E CB 1.245 30.944 29.700 -0.002 0.000 1.068 409 E HN 0.662 nan 8.360 nan 0.000 0.401 410 Q N 4.368 124.159 119.800 -0.015 0.000 2.558 410 Q HA 0.251 4.591 4.340 -0.000 0.000 0.252 410 Q C -0.587 175.388 176.000 -0.043 0.000 1.015 410 Q CA -0.076 55.708 55.803 -0.032 0.000 0.720 410 Q CB 0.572 29.299 28.738 -0.018 0.000 1.215 410 Q HN 0.616 nan 8.270 nan 0.000 0.500 411 I N 2.881 123.410 120.570 -0.068 0.000 4.187 411 I HA 0.208 4.378 4.170 -0.000 0.000 0.326 411 I C -0.106 175.942 176.117 -0.115 0.000 1.302 411 I CA 0.061 61.318 61.300 -0.072 0.000 1.196 411 I CB 0.931 38.900 38.000 -0.052 0.000 1.095 411 I HN 0.556 nan 8.210 nan 0.000 0.411 412 I N 1.361 121.814 120.570 -0.195 0.000 2.342 412 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 412 I C 0.372 176.352 176.117 -0.229 0.000 1.010 412 I CA -0.087 61.033 61.300 -0.301 0.000 1.308 412 I CB 0.564 38.157 38.000 -0.678 0.000 1.400 412 I HN -0.019 nan 8.210 nan 0.000 0.488 413 R N 7.674 128.075 120.500 -0.166 0.000 2.459 413 R HA 0.276 4.616 4.340 -0.000 0.000 0.281 413 R C -1.496 174.739 176.300 -0.109 0.000 1.050 413 R CA -1.401 54.633 56.100 -0.110 0.000 1.055 413 R CB 0.448 30.710 30.300 -0.065 0.000 1.045 413 R HN 0.405 nan 8.270 nan 0.000 0.495 414 P HA -0.086 nan 4.420 nan 0.000 0.230 414 P C 0.315 177.592 177.300 -0.038 0.000 1.158 414 P CA 1.129 64.186 63.100 -0.071 0.000 0.769 414 P CB 0.293 31.934 31.700 -0.099 0.000 0.807 415 T N -5.563 108.972 114.554 -0.032 0.000 3.085 415 T HA 0.446 4.796 4.350 -0.000 0.000 0.264 415 T C 1.408 176.115 174.700 0.012 0.000 1.019 415 T CA 0.267 62.362 62.100 -0.008 0.000 0.910 415 T CB -0.307 68.553 68.868 -0.013 0.000 1.059 415 T HN 0.173 nan 8.240 nan 0.000 0.542 416 G N 1.838 110.645 108.800 0.011 0.000 2.168 416 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.263 416 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.263 416 G C 0.043 174.956 174.900 0.021 0.000 0.977 416 G CA 0.180 45.302 45.100 0.036 0.000 0.659 416 G HN 0.632 nan 8.290 nan 0.000 0.533 417 L N 0.075 121.300 121.223 0.003 0.000 2.485 417 L HA 0.419 4.759 4.340 -0.000 0.000 0.275 417 L C 1.155 178.026 176.870 0.002 0.000 1.207 417 L CA -0.132 54.711 54.840 0.005 0.000 0.855 417 L CB 0.475 42.535 42.059 0.001 0.000 1.114 417 L HN 0.100 nan 8.230 nan 0.000 0.485 418 L N 1.560 122.789 121.223 0.010 0.000 2.334 418 L HA 0.374 4.714 4.340 -0.000 0.000 0.275 418 L C -0.243 176.631 176.870 0.006 0.000 1.036 418 L CA -1.076 53.770 54.840 0.011 0.000 0.807 418 L CB 1.315 43.386 42.059 0.021 0.000 1.231 418 L HN 0.492 nan 8.230 nan 0.000 0.438 419 D N 2.833 123.234 120.400 0.001 0.000 2.449 419 D HA 0.085 4.725 4.640 -0.000 0.000 0.236 419 D C -2.085 174.219 176.300 0.005 0.000 1.149 419 D CA -0.447 53.551 54.000 -0.003 0.000 0.878 419 D CB 0.322 41.116 40.800 -0.010 0.000 1.198 419 D HN 0.243 nan 8.370 nan 0.000 0.446 420 P HA 0.057 nan 4.420 nan 0.000 0.273 420 P C -0.277 177.034 177.300 0.019 0.000 1.250 420 P CA -0.402 62.708 63.100 0.017 0.000 0.793 420 P CB 0.321 32.017 31.700 -0.006 0.000 1.011 421 T N -1.611 112.989 114.554 0.076 0.000 2.849 421 T HA 0.614 4.964 4.350 -0.000 0.000 0.284 421 T C 0.324 175.009 174.700 -0.025 0.000 1.004 421 T CA -0.617 61.539 62.100 0.093 0.000 1.021 421 T CB 0.266 69.265 68.868 0.219 0.000 1.013 421 T HN 0.265 nan 8.240 nan 0.000 0.527 422 I N 1.160 121.698 120.570 -0.053 0.000 2.512 422 I HA 0.339 4.509 4.170 -0.000 0.000 0.287 422 I C -1.148 174.913 176.117 -0.095 0.000 1.069 422 I CA -0.971 60.222 61.300 -0.179 0.000 1.056 422 I CB 2.167 40.092 38.000 -0.125 0.000 1.229 422 I HN 0.579 nan 8.210 nan 0.000 0.429 423 D N 4.685 124.995 120.400 -0.150 0.000 2.185 423 D HA 0.462 5.102 4.640 -0.000 0.000 0.247 423 D C -0.798 175.412 176.300 -0.149 0.000 1.027 423 D CA -0.176 53.789 54.000 -0.059 0.000 0.861 423 D CB 3.149 43.971 40.800 0.036 0.000 1.202 423 D HN 0.206 nan 8.370 nan 0.000 0.453 424 V N 2.440 122.286 119.914 -0.113 0.000 2.448 424 V HA 0.625 4.745 4.120 -0.000 0.000 0.295 424 V C -0.844 175.181 176.094 -0.115 0.000 1.025 424 V CA -0.455 61.761 62.300 -0.140 0.000 0.859 424 V CB 1.265 33.030 31.823 -0.097 0.000 0.988 424 V HN 0.459 nan 8.190 nan 0.000 0.431 425 R N 5.140 125.544 120.500 -0.160 0.000 2.888 425 R HA 0.645 4.985 4.340 -0.000 0.000 0.266 425 R C -2.793 173.545 176.300 0.063 0.000 1.020 425 R CA -2.041 54.025 56.100 -0.057 0.000 0.963 425 R CB 2.348 32.590 30.300 -0.096 0.000 1.197 425 R HN 0.491 nan 8.270 nan 0.000 0.481 426 P HA 0.021 nan 4.420 nan 0.000 0.274 426 P C 0.532 177.930 177.300 0.163 0.000 1.231 426 P CA -0.200 62.961 63.100 0.101 0.000 0.790 426 P CB 0.692 32.430 31.700 0.063 0.000 0.951 427 T N -1.228 113.383 114.554 0.095 0.000 2.867 427 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 427 T C 0.848 175.532 174.700 -0.026 0.000 1.057 427 T CA 0.746 62.866 62.100 0.033 0.000 1.136 427 T CB -0.426 68.447 68.868 0.009 0.000 0.874 427 T HN 0.226 nan 8.240 nan 0.000 0.466 428 K N 1.894 122.291 120.400 -0.005 0.000 2.382 428 K HA 0.312 4.632 4.320 -0.000 0.000 0.286 428 K C 1.024 177.605 176.600 -0.031 0.000 1.062 428 K CA 0.767 57.040 56.287 -0.023 0.000 1.000 428 K CB -0.332 32.164 32.500 -0.007 0.000 0.954 428 K HN 0.617 nan 8.250 nan 0.000 0.470 429 G N 3.120 111.877 108.800 -0.072 0.000 2.141 429 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.231 429 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.231 429 G C 0.753 175.571 174.900 -0.135 0.000 0.984 429 G CA 0.549 45.601 45.100 -0.079 0.000 0.660 429 G HN 0.804 nan 8.290 nan 0.000 0.525 430 Q N -0.227 119.439 119.800 -0.223 0.000 2.077 430 Q HA -0.124 4.216 4.340 -0.000 0.000 0.206 430 Q C 2.432 178.126 176.000 -0.510 0.000 0.989 430 Q CA 1.856 57.362 55.803 -0.496 0.000 0.853 430 Q CB -0.283 28.027 28.738 -0.713 0.000 0.907 430 Q HN 0.529 nan 8.270 nan 0.000 0.418 431 I N 2.735 123.052 120.570 -0.422 0.000 2.127 431 I HA -0.265 3.905 4.170 -0.000 0.000 0.241 431 I C 1.682 177.638 176.117 -0.270 0.000 1.075 431 I CA 1.855 62.904 61.300 -0.419 0.000 1.334 431 I CB -0.467 37.141 38.000 -0.653 0.000 1.040 431 I HN 0.208 nan 8.210 nan 0.000 0.405 432 D N -0.228 120.056 120.400 -0.194 0.000 2.178 432 D HA -0.189 4.451 4.640 -0.000 0.000 0.202 432 D C 1.827 178.104 176.300 -0.037 0.000 0.974 432 D CA 1.124 55.075 54.000 -0.081 0.000 0.841 432 D CB -0.412 40.365 40.800 -0.038 0.000 0.953 432 D HN 0.396 nan 8.370 nan 0.000 0.478 433 D N -0.234 120.144 120.400 -0.037 0.000 2.078 433 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 433 D C 1.941 178.286 176.300 0.075 0.000 0.990 433 D CA 0.617 54.647 54.000 0.050 0.000 0.827 433 D CB -0.041 40.845 40.800 0.145 0.000 0.975 433 D HN 0.030 nan 8.370 nan 0.000 0.451 434 L N 0.275 121.517 121.223 0.031 0.000 2.046 434 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 434 L C 2.057 178.946 176.870 0.032 0.000 1.077 434 L CA 1.424 56.303 54.840 0.064 0.000 0.747 434 L CB -0.526 41.511 42.059 -0.038 0.000 0.896 434 L HN 0.233 nan 8.230 nan 0.000 0.432 435 I N -0.352 120.213 120.570 -0.009 0.000 2.127 435 I HA -0.267 3.903 4.170 -0.000 0.000 0.241 435 I C 2.427 178.562 176.117 0.030 0.000 1.075 435 I CA 1.674 62.980 61.300 0.011 0.000 1.334 435 I CB -0.944 37.062 38.000 0.010 0.000 1.040 435 I HN 0.433 nan 8.210 nan 0.000 0.405 436 G N -0.304 108.514 108.800 0.030 0.000 2.448 436 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 436 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 436 G C 1.538 176.462 174.900 0.040 0.000 1.127 436 G CA 0.472 45.593 45.100 0.034 0.000 0.766 436 G HN 0.330 nan 8.290 nan 0.000 0.552 437 E N 0.263 120.496 120.200 0.055 0.000 2.076 437 E HA 0.010 4.360 4.350 -0.000 0.000 0.190 437 E C 2.612 179.246 176.600 0.056 0.000 0.979 437 E CA 0.245 56.683 56.400 0.062 0.000 0.807 437 E CB -0.102 29.654 29.700 0.095 0.000 0.761 437 E HN 0.480 nan 8.360 nan 0.000 0.454 438 I N 1.129 121.734 120.570 0.057 0.000 2.208 438 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 438 I C 2.630 178.773 176.117 0.044 0.000 1.097 438 I CA 1.069 62.400 61.300 0.052 0.000 1.363 438 I CB -0.225 37.804 38.000 0.049 0.000 1.051 438 I HN 0.008 nan 8.210 nan 0.000 0.413 439 R N 0.303 120.827 120.500 0.039 0.000 2.117 439 R HA -0.193 4.146 4.340 -0.000 0.000 0.243 439 R C 2.179 178.496 176.300 0.029 0.000 1.143 439 R CA 1.229 57.349 56.100 0.034 0.000 0.968 439 R CB -0.318 30.000 30.300 0.031 0.000 0.863 439 R HN 0.403 nan 8.270 nan 0.000 0.444 440 E N 0.305 120.522 120.200 0.028 0.000 2.072 440 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 440 E C 2.018 178.632 176.600 0.023 0.000 0.985 440 E CA 0.944 57.357 56.400 0.021 0.000 0.801 440 E CB 0.024 29.734 29.700 0.016 0.000 0.750 440 E HN 0.039 nan 8.360 nan 0.000 0.452 441 R N 0.280 120.799 120.500 0.031 0.000 2.081 441 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 441 R C 2.403 178.722 176.300 0.032 0.000 1.131 441 R CA 0.592 56.712 56.100 0.033 0.000 0.960 441 R CB -1.069 29.258 30.300 0.044 0.000 0.856 441 R HN 0.056 nan 8.270 nan 0.000 0.436 442 V N 1.015 120.950 119.914 0.034 0.000 2.358 442 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 442 V C 2.139 178.248 176.094 0.026 0.000 1.047 442 V CA 1.653 63.973 62.300 0.033 0.000 1.035 442 V CB -0.381 31.464 31.823 0.037 0.000 0.658 442 V HN 0.304 nan 8.190 nan 0.000 0.452 443 E N 0.083 120.297 120.200 0.023 0.000 2.153 443 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 443 E C 2.125 178.734 176.600 0.015 0.000 0.988 443 E CA 0.759 57.170 56.400 0.018 0.000 0.811 443 E CB -0.110 29.599 29.700 0.015 0.000 0.746 443 E HN 0.373 nan 8.360 nan 0.000 0.466 444 R N 0.767 121.276 120.500 0.017 0.000 2.334 444 R HA 0.026 4.367 4.340 -0.000 0.000 0.220 444 R C 0.391 176.702 176.300 0.017 0.000 0.917 444 R CA -0.040 56.069 56.100 0.014 0.000 1.073 444 R CB -0.832 29.476 30.300 0.013 0.000 1.056 444 R HN 0.128 nan 8.270 nan 0.000 0.506 445 N N 1.247 119.959 118.700 0.020 0.000 2.780 445 N HA -0.195 4.545 4.740 -0.000 0.000 0.248 445 N C -1.271 174.254 175.510 0.025 0.000 1.102 445 N CA 0.738 53.801 53.050 0.021 0.000 0.697 445 N CB -0.932 37.565 38.487 0.016 0.000 1.028 445 N HN 0.381 nan 8.380 nan 0.000 0.554 446 E N -0.302 119.916 120.200 0.029 0.000 2.263 446 E HA 0.555 4.905 4.350 -0.000 0.000 0.264 446 E C -0.072 176.553 176.600 0.042 0.000 0.923 446 E CA -0.963 55.457 56.400 0.034 0.000 0.802 446 E CB 1.057 30.777 29.700 0.033 0.000 1.228 446 E HN 0.147 nan 8.360 nan 0.000 0.417 447 R N 0.318 120.846 120.500 0.047 0.000 2.797 447 R HA 0.623 4.963 4.340 -0.000 0.000 0.251 447 R C -0.597 175.735 176.300 0.055 0.000 1.107 447 R CA -0.647 55.486 56.100 0.056 0.000 1.084 447 R CB 1.487 31.824 30.300 0.061 0.000 1.205 447 R HN 0.484 nan 8.270 nan 0.000 0.515 448 T N 1.053 115.641 114.554 0.058 0.000 2.912 448 T HA 0.524 4.874 4.350 -0.000 0.000 0.299 448 T C -0.327 174.403 174.700 0.050 0.000 1.052 448 T CA -0.666 61.466 62.100 0.054 0.000 0.996 448 T CB 1.668 70.570 68.868 0.057 0.000 1.070 448 T HN 0.207 nan 8.240 nan 0.000 0.465 449 L N 2.177 123.427 121.223 0.045 0.000 2.334 449 L HA 0.833 5.173 4.340 -0.000 0.000 0.276 449 L C -0.824 176.071 176.870 0.041 0.000 1.014 449 L CA -1.177 53.688 54.840 0.041 0.000 0.815 449 L CB 1.909 43.991 42.059 0.038 0.000 1.268 449 L HN 0.326 nan 8.230 nan 0.000 0.428 450 V N 0.979 120.917 119.914 0.039 0.000 2.531 450 V HA 0.422 4.542 4.120 -0.000 0.000 0.301 450 V C -0.190 175.925 176.094 0.035 0.000 1.034 450 V CA -0.469 61.853 62.300 0.037 0.000 0.865 450 V CB 2.072 33.910 31.823 0.025 0.000 0.995 450 V HN 0.804 nan 8.190 nan 0.000 0.424 451 T N 3.139 117.714 114.554 0.035 0.000 2.792 451 T HA 0.660 5.010 4.350 -0.000 0.000 0.280 451 T C -0.168 174.547 174.700 0.024 0.000 0.990 451 T CA -0.139 61.981 62.100 0.033 0.000 0.960 451 T CB 1.130 70.019 68.868 0.034 0.000 0.939 451 T HN 0.955 nan 8.240 nan 0.000 0.439 452 T N 2.979 117.540 114.554 0.013 0.000 2.918 452 T HA 0.483 4.833 4.350 -0.000 0.000 0.286 452 T C 1.173 175.879 174.700 0.010 0.000 1.026 452 T CA -0.947 61.152 62.100 -0.002 0.000 1.031 452 T CB 1.479 70.327 68.868 -0.033 0.000 1.046 452 T HN 0.407 nan 8.240 nan 0.000 0.479 453 L N 1.777 123.005 121.223 0.008 0.000 2.141 453 L HA 0.182 4.522 4.340 -0.000 0.000 0.209 453 L C 1.252 178.132 176.870 0.017 0.000 1.094 453 L CA 1.590 56.440 54.840 0.017 0.000 0.763 453 L CB -0.313 41.755 42.059 0.014 0.000 0.908 453 L HN 1.101 nan 8.230 nan 0.000 0.437 454 T N -4.989 109.567 114.554 0.002 0.000 2.907 454 T HA 0.200 4.550 4.350 -0.000 0.000 0.292 454 T C 0.682 175.375 174.700 -0.013 0.000 1.043 454 T CA -0.552 61.548 62.100 0.001 0.000 1.003 454 T CB 1.611 70.477 68.868 -0.003 0.000 1.084 454 T HN 0.115 nan 8.240 nan 0.000 0.483 455 K N 0.834 121.231 120.400 -0.005 0.000 2.281 455 K HA -0.166 4.154 4.320 -0.000 0.000 0.203 455 K C 1.358 177.927 176.600 -0.052 0.000 1.046 455 K CA 1.398 57.679 56.287 -0.011 0.000 0.938 455 K CB -0.108 32.389 32.500 -0.005 0.000 0.737 455 K HN 0.602 nan 8.250 nan 0.000 0.458 456 K N 0.239 120.613 120.400 -0.042 0.000 2.076 456 K HA 0.027 4.347 4.320 -0.000 0.000 0.204 456 K C 2.048 178.603 176.600 -0.076 0.000 1.051 456 K CA 1.391 57.648 56.287 -0.050 0.000 0.949 456 K CB -0.167 32.318 32.500 -0.025 0.000 0.726 456 K HN 0.078 nan 8.250 nan 0.000 0.443 457 M N 0.841 120.400 119.600 -0.069 0.000 2.159 457 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 457 M C 2.386 178.613 176.300 -0.123 0.000 1.063 457 M CA 1.596 56.850 55.300 -0.078 0.000 1.110 457 M CB -0.428 32.136 32.600 -0.061 0.000 1.374 457 M HN 0.312 nan 8.290 nan 0.000 0.411 458 A N 0.351 123.075 122.820 -0.159 0.000 1.877 458 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 458 A C 1.935 179.243 177.584 -0.460 0.000 1.186 458 A CA 1.851 53.724 52.037 -0.274 0.000 0.620 458 A CB -0.707 18.137 19.000 -0.260 0.000 0.822 458 A HN 0.508 nan 8.150 nan 0.000 0.443 459 E N -0.305 119.622 120.200 -0.455 0.000 2.106 459 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 459 E C 1.452 177.929 176.600 -0.204 0.000 0.984 459 E CA 1.126 57.281 56.400 -0.408 0.000 0.806 459 E CB -0.123 29.442 29.700 -0.225 0.000 0.750 459 E HN 0.575 nan 8.360 nan 0.000 0.458 460 D N 0.620 120.943 120.400 -0.127 0.000 2.097 460 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 460 D C 2.083 178.382 176.300 -0.001 0.000 0.984 460 D CA 0.630 54.608 54.000 -0.037 0.000 0.826 460 D CB -0.159 40.638 40.800 -0.006 0.000 0.973 460 D HN 0.084 nan 8.370 nan 0.000 0.460 461 L N 1.161 122.346 121.223 -0.063 0.000 2.042 461 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 461 L C 2.325 179.180 176.870 -0.026 0.000 1.076 461 L CA 1.641 56.450 54.840 -0.050 0.000 0.749 461 L CB -0.804 41.191 42.059 -0.107 0.000 0.893 461 L HN -0.047 nan 8.230 nan 0.000 0.432 462 T N -0.541 113.952 114.554 -0.102 0.000 2.720 462 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 462 T C 1.470 176.162 174.700 -0.013 0.000 1.037 462 T CA 1.626 63.680 62.100 -0.077 0.000 1.144 462 T CB -0.388 68.386 68.868 -0.155 0.000 0.864 462 T HN 0.427 nan 8.240 nan 0.000 0.444 463 D N 0.021 120.415 120.400 -0.010 0.000 2.077 463 D HA -0.064 4.576 4.640 -0.000 0.000 0.196 463 D C 1.807 178.130 176.300 0.039 0.000 0.986 463 D CA 1.050 55.052 54.000 0.003 0.000 0.829 463 D CB -0.676 40.112 40.800 -0.020 0.000 0.983 463 D HN 0.447 nan 8.370 nan 0.000 0.453 464 Y N 1.027 121.297 120.300 -0.051 0.000 2.228 464 Y HA -0.221 4.329 4.550 -0.000 0.000 0.285 464 Y C 2.355 178.235 175.900 -0.034 0.000 1.178 464 Y CA 0.952 59.026 58.100 -0.044 0.000 1.202 464 Y CB 0.003 38.429 38.460 -0.056 0.000 0.974 464 Y HN -0.043 nan 8.280 nan 0.000 0.527 465 L N -0.692 120.633 121.223 0.169 0.000 2.162 465 L HA -0.166 4.174 4.340 -0.000 0.000 0.205 465 L C 2.347 179.259 176.870 0.070 0.000 1.086 465 L CA 1.017 55.917 54.840 0.101 0.000 0.778 465 L CB -0.389 41.702 42.059 0.052 0.000 0.928 465 L HN 0.052 nan 8.230 nan 0.000 0.446 466 K N 0.059 120.489 120.400 0.050 0.000 2.097 466 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 466 K C 1.920 178.536 176.600 0.026 0.000 1.049 466 K CA 1.106 57.416 56.287 0.038 0.000 0.933 466 K CB 0.030 32.548 32.500 0.029 0.000 0.717 466 K HN 0.301 nan 8.250 nan 0.000 0.442 467 E N 0.000 120.206 120.200 0.009 0.000 2.265 467 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 467 E C 1.599 178.202 176.600 0.006 0.000 0.996 467 E CA 0.796 57.184 56.400 -0.019 0.000 0.832 467 E CB 0.069 29.715 29.700 -0.091 0.000 0.756 467 E HN 0.275 nan 8.360 nan 0.000 0.491 468 A N 0.129 122.975 122.820 0.043 0.000 2.208 468 A HA 0.254 4.574 4.320 -0.000 0.000 0.209 468 A C 1.699 179.308 177.584 0.043 0.000 1.161 468 A CA 0.943 53.014 52.037 0.055 0.000 0.782 468 A CB -0.004 19.050 19.000 0.089 0.000 0.816 468 A HN 0.299 nan 8.150 nan 0.000 0.477 469 G N -1.211 107.612 108.800 0.038 0.000 2.157 469 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.239 469 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.239 469 G C 0.015 174.941 174.900 0.045 0.000 0.982 469 G CA 0.165 45.287 45.100 0.036 0.000 0.650 469 G HN 0.418 nan 8.290 nan 0.000 0.527 470 I N 0.719 121.320 120.570 0.052 0.000 2.353 470 I HA 0.375 4.545 4.170 -0.000 0.000 0.293 470 I C 0.375 176.537 176.117 0.076 0.000 0.992 470 I CA -0.796 60.540 61.300 0.060 0.000 1.268 470 I CB 1.393 39.427 38.000 0.057 0.000 1.387 470 I HN -0.086 nan 8.210 nan 0.000 0.478 471 K N 5.516 125.974 120.400 0.097 0.000 2.338 471 K HA 0.389 4.709 4.320 -0.000 0.000 0.290 471 K C -0.701 176.005 176.600 0.177 0.000 1.069 471 K CA -0.022 56.356 56.287 0.153 0.000 0.941 471 K CB 0.958 33.558 32.500 0.167 0.000 1.023 471 K HN 0.374 nan 8.250 nan 0.000 0.477 472 V N 1.383 121.371 119.914 0.124 0.000 2.925 472 V HA 0.858 4.978 4.120 -0.000 0.000 0.311 472 V C -1.536 174.451 176.094 -0.178 0.000 1.104 472 V CA -0.672 61.633 62.300 0.007 0.000 0.954 472 V CB 1.971 33.799 31.823 0.009 0.000 1.022 472 V HN 0.742 nan 8.190 nan 0.000 0.427 473 A N 4.815 127.404 122.820 -0.386 0.000 2.365 473 A HA 0.786 5.106 4.320 -0.000 0.000 0.318 473 A C -1.699 175.800 177.584 -0.142 0.000 1.091 473 A CA -0.562 51.154 52.037 -0.534 0.000 0.763 473 A CB 1.501 19.713 19.000 -1.314 0.000 1.248 473 A HN 1.343 nan 8.150 nan 0.000 0.442 474 Y N 2.438 122.626 120.300 -0.187 0.000 2.335 474 Y HA 0.536 5.086 4.550 0.000 0.000 0.339 474 Y C -0.770 175.100 175.900 -0.050 0.000 0.987 474 Y CA -1.458 56.589 58.100 -0.089 0.000 1.140 474 Y CB 1.347 39.780 38.460 -0.045 0.000 1.173 474 Y HN 0.495 nan 8.280 nan 0.000 0.486 475 L N 7.865 129.051 121.223 -0.063 0.000 2.397 475 L HA 0.223 4.563 4.340 -0.000 0.000 0.263 475 L C 0.006 176.639 176.870 -0.395 0.000 1.136 475 L CA -0.097 54.630 54.840 -0.189 0.000 1.019 475 L CB -0.794 41.243 42.059 -0.037 0.000 1.352 475 L HN 0.631 nan 8.230 nan 0.000 0.420 476 H N 1.553 120.129 119.070 -0.824 0.000 3.167 476 H HA -0.085 4.471 4.556 -0.000 0.000 0.306 476 H C 1.282 176.443 175.328 -0.279 0.000 0.965 476 H CA 0.910 56.523 56.048 -0.726 0.000 1.408 476 H CB 1.030 30.476 29.762 -0.526 0.000 1.406 476 H HN 0.800 nan 8.280 nan 0.000 0.576 477 S N 3.130 118.740 115.700 -0.149 0.000 2.461 477 S HA -0.224 4.246 4.470 -0.000 0.000 0.249 477 S C 0.078 174.737 174.600 0.098 0.000 1.012 477 S CA 1.528 59.733 58.200 0.009 0.000 0.982 477 S CB -0.164 63.024 63.200 -0.019 0.000 0.764 477 S HN 0.739 nan 8.310 nan 0.000 0.506 478 E N -0.170 120.156 120.200 0.211 0.000 2.649 478 E HA 0.637 4.987 4.350 -0.000 0.000 0.310 478 E C -1.187 175.404 176.600 -0.014 0.000 1.036 478 E CA -0.131 56.315 56.400 0.077 0.000 0.772 478 E CB 0.774 30.507 29.700 0.055 0.000 1.513 478 E HN 0.276 nan 8.360 nan 0.000 0.384 479 I N 0.999 121.546 120.570 -0.038 0.000 2.846 479 I HA 0.320 4.490 4.170 -0.000 0.000 0.307 479 I C -0.170 175.905 176.117 -0.071 0.000 1.053 479 I CA -1.399 59.846 61.300 -0.092 0.000 1.050 479 I CB 1.975 39.923 38.000 -0.087 0.000 1.239 479 I HN 0.278 nan 8.210 nan 0.000 0.439 480 K N 2.360 122.714 120.400 -0.078 0.000 2.440 480 K HA -0.073 4.247 4.320 -0.000 0.000 0.275 480 K C 0.937 177.506 176.600 -0.051 0.000 1.082 480 K CA 0.345 56.593 56.287 -0.066 0.000 1.135 480 K CB 0.430 32.894 32.500 -0.061 0.000 0.864 480 K HN 0.656 nan 8.250 nan 0.000 0.479 481 T N 3.695 118.216 114.554 -0.055 0.000 2.802 481 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 481 T C 1.546 176.228 174.700 -0.029 0.000 1.062 481 T CA 1.283 63.359 62.100 -0.041 0.000 1.133 481 T CB 0.045 68.880 68.868 -0.055 0.000 0.852 481 T HN 0.468 nan 8.240 nan 0.000 0.485 482 L N -0.162 121.041 121.223 -0.034 0.000 2.341 482 L HA 0.157 4.497 4.340 -0.000 0.000 0.214 482 L C 2.517 179.379 176.870 -0.013 0.000 1.115 482 L CA 0.889 55.715 54.840 -0.023 0.000 0.820 482 L CB -0.083 41.958 42.059 -0.029 0.000 0.944 482 L HN 0.230 nan 8.230 nan 0.000 0.452 483 E N -0.576 119.614 120.200 -0.017 0.000 2.230 483 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 483 E C 2.086 178.689 176.600 0.006 0.000 0.987 483 E CA 0.049 56.446 56.400 -0.006 0.000 0.841 483 E CB 0.339 30.029 29.700 -0.017 0.000 0.783 483 E HN 0.262 nan 8.360 nan 0.000 0.481 484 R N 0.601 121.100 120.500 -0.002 0.000 2.103 484 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 484 R C 2.400 178.715 176.300 0.024 0.000 1.132 484 R CA 1.321 57.425 56.100 0.008 0.000 0.925 484 R CB -1.004 29.299 30.300 0.005 0.000 0.842 484 R HN 0.251 nan 8.270 nan 0.000 0.430 485 I N 1.046 121.628 120.570 0.019 0.000 2.185 485 I HA -0.333 3.837 4.170 -0.000 0.000 0.246 485 I C 2.644 178.781 176.117 0.033 0.000 1.088 485 I CA 1.916 63.230 61.300 0.024 0.000 1.347 485 I CB -0.410 37.598 38.000 0.014 0.000 1.041 485 I HN 0.367 nan 8.210 nan 0.000 0.415 486 E N 1.453 121.673 120.200 0.033 0.000 2.072 486 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 486 E C 2.232 178.883 176.600 0.085 0.000 0.985 486 E CA 1.399 57.825 56.400 0.044 0.000 0.801 486 E CB -0.153 29.568 29.700 0.035 0.000 0.750 486 E HN 0.525 nan 8.360 nan 0.000 0.452 487 I N 0.611 121.246 120.570 0.108 0.000 2.233 487 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 487 I C 2.442 178.674 176.117 0.191 0.000 1.093 487 I CA 0.741 62.161 61.300 0.201 0.000 1.380 487 I CB -0.221 37.854 38.000 0.126 0.000 1.067 487 I HN 0.187 nan 8.210 nan 0.000 0.413 488 I N 0.597 121.232 120.570 0.108 0.000 2.127 488 I HA -0.332 3.838 4.170 -0.000 0.000 0.241 488 I C 2.834 179.004 176.117 0.088 0.000 1.075 488 I CA 1.405 62.760 61.300 0.091 0.000 1.334 488 I CB -0.501 37.535 38.000 0.059 0.000 1.040 488 I HN 0.212 nan 8.210 nan 0.000 0.405 489 R N 0.892 121.431 120.500 0.065 0.000 2.139 489 R HA -0.239 4.101 4.340 -0.000 0.000 0.243 489 R C 1.688 178.013 176.300 0.042 0.000 1.145 489 R CA 2.022 58.149 56.100 0.045 0.000 0.976 489 R CB -0.340 29.978 30.300 0.029 0.000 0.866 489 R HN 0.411 nan 8.270 nan 0.000 0.449 490 D N 0.381 120.818 120.400 0.062 0.000 2.224 490 D HA -0.125 4.515 4.640 -0.000 0.000 0.205 490 D C 1.842 178.162 176.300 0.033 0.000 0.965 490 D CA 0.586 54.588 54.000 0.002 0.000 0.852 490 D CB 0.072 40.825 40.800 -0.079 0.000 0.947 490 D HN 0.211 nan 8.370 nan 0.000 0.494 491 L N 1.258 122.577 121.223 0.159 0.000 2.093 491 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 491 L C 2.200 179.122 176.870 0.086 0.000 1.085 491 L CA 1.398 56.342 54.840 0.172 0.000 0.755 491 L CB -0.105 42.062 42.059 0.180 0.000 0.904 491 L HN -0.182 nan 8.230 nan 0.000 0.435 492 R N -0.773 119.764 120.500 0.062 0.000 2.096 492 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 492 R C 2.166 178.479 176.300 0.023 0.000 1.127 492 R CA 1.519 57.642 56.100 0.039 0.000 0.968 492 R CB -0.598 29.721 30.300 0.032 0.000 0.861 492 R HN 0.321 nan 8.270 nan 0.000 0.440 493 L N -0.247 120.981 121.223 0.009 0.000 2.465 493 L HA 0.056 4.396 4.340 -0.000 0.000 0.224 493 L C 1.101 177.961 176.870 -0.017 0.000 1.145 493 L CA 1.190 56.023 54.840 -0.011 0.000 0.834 493 L CB 0.074 42.115 42.059 -0.030 0.000 0.944 493 L HN 0.521 nan 8.230 nan 0.000 0.451 494 G N -1.065 107.732 108.800 -0.005 0.000 2.137 494 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.237 494 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.237 494 G C 1.180 176.053 174.900 -0.045 0.000 1.002 494 G CA 0.522 45.622 45.100 0.000 0.000 0.702 494 G HN 0.297 nan 8.290 nan 0.000 0.515 495 K N -1.217 119.099 120.400 -0.140 0.000 2.148 495 K HA 0.058 4.378 4.320 -0.000 0.000 0.204 495 K C 0.409 176.811 176.600 -0.330 0.000 1.050 495 K CA 0.927 57.031 56.287 -0.305 0.000 0.942 495 K CB 0.021 32.217 32.500 -0.506 0.000 0.724 495 K HN 0.589 nan 8.250 nan 0.000 0.446 496 Y N -0.426 119.888 120.300 0.025 0.000 2.429 496 Y HA 0.114 4.664 4.550 -0.000 0.000 0.342 496 Y C 0.607 176.525 175.900 0.030 0.000 1.004 496 Y CA -1.207 56.911 58.100 0.030 0.000 1.075 496 Y CB 1.789 40.270 38.460 0.036 0.000 1.214 496 Y HN -0.116 nan 8.280 nan 0.000 0.455 497 D N 0.805 121.326 120.400 0.201 0.000 2.379 497 D HA 0.114 4.754 4.640 -0.000 0.000 0.218 497 D C -0.077 176.286 176.300 0.104 0.000 1.006 497 D CA 0.938 55.010 54.000 0.121 0.000 0.893 497 D CB 0.870 41.725 40.800 0.091 0.000 1.019 497 D HN 0.165 nan 8.370 nan 0.000 0.503 498 V N 0.760 120.734 119.914 0.101 0.000 3.074 498 V HA 0.550 4.670 4.120 -0.000 0.000 0.314 498 V C -0.746 175.370 176.094 0.037 0.000 1.117 498 V CA -0.959 61.380 62.300 0.064 0.000 1.014 498 V CB 3.001 34.853 31.823 0.048 0.000 1.057 498 V HN -0.091 nan 8.190 nan 0.000 0.438 499 L N 1.982 123.221 121.223 0.026 0.000 2.482 499 L HA 0.673 5.013 4.340 -0.000 0.000 0.269 499 L C -1.187 175.700 176.870 0.029 0.000 0.967 499 L CA -0.184 54.658 54.840 0.004 0.000 0.851 499 L CB 1.856 43.928 42.059 0.021 0.000 1.242 499 L HN 0.487 nan 8.230 nan 0.000 0.404 500 V N 3.950 123.891 119.914 0.045 0.000 2.472 500 V HA 0.963 5.083 4.120 -0.000 0.000 0.290 500 V C 0.541 176.730 176.094 0.159 0.000 1.037 500 V CA 0.048 62.389 62.300 0.069 0.000 0.908 500 V CB 1.217 33.048 31.823 0.014 0.000 0.985 500 V HN 0.885 nan 8.190 nan 0.000 0.454 501 G N 2.535 111.410 108.800 0.126 0.000 2.660 501 G HA2 0.588 4.548 3.960 -0.000 0.000 0.290 501 G HA3 0.588 4.548 3.960 -0.000 0.000 0.290 501 G C -0.152 174.811 174.900 0.106 0.000 1.432 501 G CA -0.521 44.669 45.100 0.150 0.000 0.807 501 G HN 0.489 nan 8.290 nan 0.000 0.485 502 I N -0.371 120.259 120.570 0.100 0.000 2.512 502 I HA 0.139 4.309 4.170 -0.000 0.000 0.247 502 I C 0.735 176.894 176.117 0.069 0.000 1.094 502 I CA 0.210 61.554 61.300 0.073 0.000 1.427 502 I CB 0.333 38.374 38.000 0.068 0.000 1.149 502 I HN 0.326 nan 8.210 nan 0.000 0.438 503 N N 1.303 120.047 118.700 0.073 0.000 2.444 503 N HA 0.256 4.996 4.740 -0.000 0.000 0.262 503 N C -0.140 175.413 175.510 0.073 0.000 0.974 503 N CA -0.019 53.080 53.050 0.082 0.000 0.933 503 N CB 1.614 40.158 38.487 0.095 0.000 1.137 503 N HN 0.149 nan 8.380 nan 0.000 0.498 504 L N 3.719 124.983 121.223 0.068 0.000 2.667 504 L HA 0.229 4.569 4.340 -0.000 0.000 0.232 504 L C 1.441 178.352 176.870 0.068 0.000 1.138 504 L CA 0.087 54.962 54.840 0.060 0.000 0.921 504 L CB 0.278 42.365 42.059 0.046 0.000 1.180 504 L HN 0.464 nan 8.230 nan 0.000 0.487 505 L N -0.078 121.197 121.223 0.087 0.000 2.509 505 L HA 0.071 4.411 4.340 -0.000 0.000 0.222 505 L C 0.860 177.798 176.870 0.114 0.000 1.123 505 L CA 0.048 54.951 54.840 0.106 0.000 0.856 505 L CB -0.349 41.793 42.059 0.138 0.000 0.985 505 L HN 0.309 nan 8.230 nan 0.000 0.456 506 R N 1.966 122.526 120.500 0.099 0.000 2.442 506 R HA 0.103 4.443 4.340 -0.000 0.000 0.291 506 R C 0.028 176.374 176.300 0.077 0.000 1.069 506 R CA -0.512 55.642 56.100 0.090 0.000 1.022 506 R CB 0.056 30.400 30.300 0.074 0.000 0.976 506 R HN 0.053 nan 8.270 nan 0.000 0.443 507 E N 1.807 122.053 120.200 0.078 0.000 2.485 507 E HA -0.036 4.314 4.350 -0.000 0.000 0.266 507 E C 1.011 177.644 176.600 0.054 0.000 1.090 507 E CA 0.705 57.146 56.400 0.068 0.000 0.987 507 E CB 0.031 29.770 29.700 0.066 0.000 0.974 507 E HN 0.895 nan 8.360 nan 0.000 0.455 508 G N 0.905 109.736 108.800 0.051 0.000 2.157 508 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 508 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 508 G C 0.402 175.328 174.900 0.044 0.000 0.979 508 G CA 0.238 45.364 45.100 0.043 0.000 0.650 508 G HN 0.424 nan 8.290 nan 0.000 0.529 509 L N 0.506 121.757 121.223 0.047 0.000 2.872 509 L HA 0.297 4.637 4.340 -0.000 0.000 0.245 509 L C -0.187 176.708 176.870 0.043 0.000 1.211 509 L CA -0.289 54.579 54.840 0.046 0.000 1.013 509 L CB 0.396 42.484 42.059 0.048 0.000 1.326 509 L HN 0.012 nan 8.230 nan 0.000 0.525 510 D N 1.555 121.979 120.400 0.041 0.000 2.456 510 D HA 0.406 5.046 4.640 -0.000 0.000 0.219 510 D C -0.339 175.980 176.300 0.032 0.000 1.126 510 D CA 0.126 54.147 54.000 0.035 0.000 0.890 510 D CB 1.132 41.953 40.800 0.036 0.000 1.025 510 D HN 0.044 nan 8.370 nan 0.000 0.511 511 I N 3.727 124.316 120.570 0.032 0.000 2.439 511 I HA 0.207 4.377 4.170 -0.000 0.000 0.285 511 I C -1.652 174.481 176.117 0.028 0.000 1.021 511 I CA -2.004 59.315 61.300 0.031 0.000 1.091 511 I CB 2.533 40.556 38.000 0.039 0.000 1.242 511 I HN -0.003 nan 8.210 nan 0.000 0.439 512 P HA -0.160 nan 4.420 nan 0.000 0.217 512 P C 0.871 178.185 177.300 0.023 0.000 1.148 512 P CA 1.220 64.332 63.100 0.020 0.000 0.828 512 P CB 0.280 31.989 31.700 0.015 0.000 0.783 513 E N -1.338 118.879 120.200 0.027 0.000 2.427 513 E HA -0.005 4.345 4.350 -0.000 0.000 0.196 513 E C 0.249 176.870 176.600 0.035 0.000 1.028 513 E CA 0.202 56.620 56.400 0.030 0.000 0.864 513 E CB -0.299 29.420 29.700 0.032 0.000 0.813 513 E HN 0.040 nan 8.360 nan 0.000 0.514 514 V N 1.621 121.557 119.914 0.036 0.000 2.455 514 V HA 0.038 4.158 4.120 -0.000 0.000 0.273 514 V C 0.958 177.074 176.094 0.038 0.000 1.045 514 V CA 0.606 62.930 62.300 0.039 0.000 0.976 514 V CB 1.325 33.172 31.823 0.039 0.000 0.993 514 V HN 0.267 nan 8.190 nan 0.000 0.475 515 S N 4.747 120.472 115.700 0.043 0.000 2.578 515 S HA 0.344 4.814 4.470 -0.000 0.000 0.228 515 S C -0.275 174.364 174.600 0.065 0.000 1.022 515 S CA -0.199 58.030 58.200 0.048 0.000 0.967 515 S CB 0.347 63.574 63.200 0.045 0.000 0.914 515 S HN 0.466 nan 8.310 nan 0.000 0.515 516 L N 1.352 122.610 121.223 0.059 0.000 2.431 516 L HA 0.787 5.127 4.340 -0.000 0.000 0.266 516 L C -1.733 175.161 176.870 0.039 0.000 0.978 516 L CA -0.666 54.212 54.840 0.065 0.000 0.822 516 L CB 2.284 44.396 42.059 0.088 0.000 1.310 516 L HN 0.005 nan 8.230 nan 0.000 0.409 517 V N 4.551 124.470 119.914 0.010 0.000 2.443 517 V HA 0.832 4.952 4.120 -0.000 0.000 0.293 517 V C -0.049 176.037 176.094 -0.013 0.000 1.021 517 V CA -0.278 62.023 62.300 0.001 0.000 0.848 517 V CB 1.484 33.298 31.823 -0.014 0.000 0.998 517 V HN 0.985 nan 8.190 nan 0.000 0.424 518 A N 6.737 129.574 122.820 0.029 0.000 2.276 518 A HA 0.844 5.164 4.320 -0.000 0.000 0.316 518 A C -0.466 177.158 177.584 0.066 0.000 1.229 518 A CA -0.434 51.642 52.037 0.066 0.000 0.851 518 A CB 0.461 19.559 19.000 0.164 0.000 1.165 518 A HN 0.769 nan 8.150 nan 0.000 0.513 519 I N 4.017 124.620 120.570 0.055 0.000 2.371 519 I HA 0.191 4.361 4.170 -0.000 0.000 0.282 519 I C -0.646 175.545 176.117 0.123 0.000 1.031 519 I CA -0.380 60.951 61.300 0.051 0.000 1.180 519 I CB 0.887 38.883 38.000 -0.006 0.000 1.336 519 I HN 0.521 nan 8.210 nan 0.000 0.467 520 L N 5.709 127.004 121.223 0.120 0.000 2.452 520 L HA 0.153 4.493 4.340 -0.000 0.000 0.267 520 L C 0.663 177.569 176.870 0.060 0.000 1.188 520 L CA 0.478 55.381 54.840 0.105 0.000 0.821 520 L CB 0.157 42.224 42.059 0.014 0.000 1.102 520 L HN 0.583 nan 8.230 nan 0.000 0.470 521 D N 1.636 122.068 120.400 0.054 0.000 2.686 521 D HA -0.267 4.373 4.640 -0.000 0.000 0.235 521 D C 1.162 177.477 176.300 0.025 0.000 1.160 521 D CA 0.825 54.843 54.000 0.031 0.000 0.645 521 D CB -0.764 40.044 40.800 0.014 0.000 1.039 521 D HN 0.743 nan 8.370 nan 0.000 0.423 522 A N 0.906 123.744 122.820 0.030 0.000 2.024 522 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 522 A C 1.836 179.416 177.584 -0.007 0.000 1.164 522 A CA 1.977 54.016 52.037 0.002 0.000 0.643 522 A CB -0.032 18.960 19.000 -0.014 0.000 0.806 522 A HN 0.426 nan 8.150 nan 0.000 0.451 523 D N -1.318 119.082 120.400 0.001 0.000 2.339 523 D HA 0.068 4.708 4.640 -0.000 0.000 0.217 523 D C 0.337 176.637 176.300 -0.001 0.000 1.050 523 D CA 0.066 54.063 54.000 -0.003 0.000 0.856 523 D CB -0.030 40.769 40.800 -0.001 0.000 0.922 523 D HN 0.003 nan 8.370 nan 0.000 0.518 524 K N 1.098 121.499 120.400 0.003 0.000 2.120 524 K HA 0.240 4.560 4.320 -0.000 0.000 0.245 524 K C 0.533 177.137 176.600 0.006 0.000 1.024 524 K CA -0.298 55.993 56.287 0.006 0.000 0.906 524 K CB 0.550 33.056 32.500 0.009 0.000 1.051 524 K HN 0.211 nan 8.250 nan 0.000 0.491 525 E N 0.133 120.340 120.200 0.012 0.000 2.283 525 E HA 0.549 4.899 4.350 -0.000 0.000 0.278 525 E C 0.057 176.676 176.600 0.031 0.000 1.027 525 E CA -0.566 55.845 56.400 0.018 0.000 0.843 525 E CB 1.024 30.736 29.700 0.020 0.000 1.062 525 E HN 0.634 nan 8.360 nan 0.000 0.401 526 G N 1.357 110.182 108.800 0.043 0.000 2.376 526 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.302 526 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.302 526 G C -0.598 174.361 174.900 0.097 0.000 1.586 526 G CA -0.970 44.177 45.100 0.078 0.000 0.907 526 G HN 0.481 nan 8.290 nan 0.000 0.655 527 F N 1.095 121.054 119.950 0.015 0.000 2.202 527 F HA 0.070 4.597 4.527 -0.000 0.000 0.301 527 F C 2.166 177.979 175.800 0.022 0.000 1.082 527 F CA 1.603 59.615 58.000 0.019 0.000 1.313 527 F CB 0.068 39.081 39.000 0.022 0.000 1.024 527 F HN 0.275 nan 8.300 nan 0.000 0.495 528 L N 0.109 121.350 121.223 0.031 0.000 2.622 528 L HA -0.008 4.332 4.340 -0.000 0.000 0.233 528 L C 1.087 177.896 176.870 -0.102 0.000 1.156 528 L CA 0.282 55.085 54.840 -0.061 0.000 0.866 528 L CB -0.405 41.688 42.059 0.057 0.000 0.980 528 L HN -0.010 nan 8.230 nan 0.000 0.448 529 R N -0.605 119.836 120.500 -0.099 0.000 2.577 529 R HA 0.193 4.533 4.340 -0.000 0.000 0.344 529 R C 0.668 176.905 176.300 -0.104 0.000 1.037 529 R CA -0.090 55.963 56.100 -0.080 0.000 1.102 529 R CB 0.027 30.305 30.300 -0.036 0.000 1.313 529 R HN 0.221 nan 8.270 nan 0.000 0.561 530 S N -0.577 115.018 115.700 -0.175 0.000 2.624 530 S HA 0.099 4.569 4.470 -0.000 0.000 0.263 530 S C 1.325 175.839 174.600 -0.144 0.000 1.287 530 S CA -0.520 57.583 58.200 -0.161 0.000 0.990 530 S CB 1.985 65.052 63.200 -0.221 0.000 0.950 530 S HN 0.304 nan 8.310 nan 0.000 0.561 531 E N 1.181 121.315 120.200 -0.109 0.000 2.065 531 E HA -0.290 4.060 4.350 -0.000 0.000 0.201 531 E C 2.140 178.669 176.600 -0.119 0.000 1.016 531 E CA 1.670 58.013 56.400 -0.094 0.000 0.818 531 E CB -0.140 29.516 29.700 -0.074 0.000 0.749 531 E HN 0.732 nan 8.360 nan 0.000 0.453 532 R N -0.178 120.236 120.500 -0.143 0.000 2.075 532 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 532 R C 2.675 178.865 176.300 -0.182 0.000 1.126 532 R CA 1.583 57.580 56.100 -0.172 0.000 0.963 532 R CB -0.113 30.090 30.300 -0.163 0.000 0.858 532 R HN 0.091 nan 8.270 nan 0.000 0.435 533 S N 1.033 116.594 115.700 -0.232 0.000 2.402 533 S HA -0.057 4.413 4.470 -0.000 0.000 0.229 533 S C 1.934 176.462 174.600 -0.121 0.000 1.021 533 S CA 0.880 58.960 58.200 -0.199 0.000 0.974 533 S CB -0.164 62.846 63.200 -0.317 0.000 0.800 533 S HN 0.192 nan 8.310 nan 0.000 0.484 534 L N 0.846 121.999 121.223 -0.117 0.000 2.017 534 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 534 L C 2.259 179.083 176.870 -0.076 0.000 1.073 534 L CA 1.233 56.022 54.840 -0.085 0.000 0.745 534 L CB -0.592 41.419 42.059 -0.080 0.000 0.894 534 L HN 0.281 nan 8.230 nan 0.000 0.432 535 I N -0.646 119.872 120.570 -0.086 0.000 2.226 535 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 535 I C 2.701 178.778 176.117 -0.066 0.000 1.100 535 I CA 1.079 62.333 61.300 -0.077 0.000 1.374 535 I CB -0.312 37.634 38.000 -0.090 0.000 1.057 535 I HN 0.342 nan 8.210 nan 0.000 0.413 536 Q N 0.023 119.779 119.800 -0.073 0.000 2.226 536 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 536 Q C 2.229 178.219 176.000 -0.017 0.000 0.975 536 Q CA 1.852 57.633 55.803 -0.037 0.000 0.866 536 Q CB -0.526 28.204 28.738 -0.012 0.000 0.915 536 Q HN 0.529 nan 8.270 nan 0.000 0.440 537 T N 1.057 115.594 114.554 -0.028 0.000 2.894 537 T HA 0.034 4.384 4.350 -0.000 0.000 0.258 537 T C 2.055 176.741 174.700 -0.023 0.000 1.043 537 T CA 0.327 62.417 62.100 -0.017 0.000 1.141 537 T CB -0.106 68.749 68.868 -0.023 0.000 0.873 537 T HN 0.112 nan 8.240 nan 0.000 0.449 538 I N 1.776 122.322 120.570 -0.040 0.000 2.248 538 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 538 I C 2.730 178.829 176.117 -0.030 0.000 1.107 538 I CA 1.311 62.583 61.300 -0.046 0.000 1.373 538 I CB -0.511 37.455 38.000 -0.056 0.000 1.055 538 I HN 0.329 nan 8.210 nan 0.000 0.418 539 G N 0.129 108.916 108.800 -0.022 0.000 2.501 539 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 539 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 539 G C 1.594 176.494 174.900 0.001 0.000 1.114 539 G CA 0.305 45.399 45.100 -0.010 0.000 0.757 539 G HN 0.158 nan 8.290 nan 0.000 0.559 540 R N 0.513 121.015 120.500 0.004 0.000 2.328 540 R HA 0.184 4.524 4.340 -0.000 0.000 0.207 540 R C 2.014 178.321 176.300 0.012 0.000 1.056 540 R CA 0.374 56.482 56.100 0.014 0.000 1.016 540 R CB -0.587 29.723 30.300 0.018 0.000 0.872 540 R HN 0.332 nan 8.270 nan 0.000 0.471 541 A N -0.591 122.231 122.820 0.004 0.000 2.465 541 A HA 0.442 4.762 4.320 -0.000 0.000 0.255 541 A C 1.366 178.956 177.584 0.011 0.000 1.274 541 A CA 0.374 52.416 52.037 0.009 0.000 0.920 541 A CB 0.224 19.223 19.000 -0.002 0.000 1.033 541 A HN 0.135 nan 8.150 nan 0.000 0.516 542 A N -0.676 122.148 122.820 0.007 0.000 2.307 542 A HA 0.218 4.538 4.320 -0.000 0.000 0.218 542 A C 1.700 179.288 177.584 0.007 0.000 1.228 542 A CA 0.053 52.094 52.037 0.005 0.000 0.857 542 A CB -0.143 18.856 19.000 -0.001 0.000 0.897 542 A HN 0.187 nan 8.150 nan 0.000 0.495 543 R N 0.166 120.673 120.500 0.012 0.000 2.312 543 R HA 0.167 4.507 4.340 -0.000 0.000 0.205 543 R C -0.247 176.060 176.300 0.013 0.000 0.904 543 R CA 0.094 56.201 56.100 0.011 0.000 1.052 543 R CB -0.135 30.174 30.300 0.015 0.000 1.014 543 R HN 0.496 nan 8.270 nan 0.000 0.503 544 N N -0.286 118.425 118.700 0.017 0.000 2.284 544 N HA 0.179 4.919 4.740 -0.000 0.000 0.300 544 N C 0.297 175.819 175.510 0.021 0.000 1.047 544 N CA 0.080 53.142 53.050 0.020 0.000 0.821 544 N CB 2.091 40.594 38.487 0.026 0.000 1.337 544 N HN -0.082 nan 8.380 nan 0.000 0.482 545 A N 3.145 125.977 122.820 0.019 0.000 2.076 545 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 545 A C 1.003 178.601 177.584 0.022 0.000 1.160 545 A CA 1.269 53.317 52.037 0.019 0.000 0.653 545 A CB -0.165 18.845 19.000 0.016 0.000 0.801 545 A HN 0.757 nan 8.150 nan 0.000 0.455 546 N N -0.029 118.686 118.700 0.025 0.000 2.238 546 N HA 0.110 4.850 4.740 -0.000 0.000 0.222 546 N C 0.677 176.218 175.510 0.052 0.000 1.133 546 N CA 0.529 53.596 53.050 0.029 0.000 0.854 546 N CB 0.324 38.823 38.487 0.020 0.000 1.041 546 N HN 0.368 nan 8.380 nan 0.000 0.510 547 G N 0.658 109.489 108.800 0.053 0.000 2.178 547 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.244 547 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.244 547 G C -0.477 174.494 174.900 0.118 0.000 1.213 547 G CA 0.679 45.819 45.100 0.066 0.000 0.912 547 G HN 0.388 nan 8.290 nan 0.000 0.474 548 H N 0.347 119.413 119.070 -0.006 0.000 2.996 548 H HA 0.613 5.169 4.556 -0.000 0.000 0.368 548 H C -1.185 174.131 175.328 -0.020 0.000 1.185 548 H CA -0.636 55.403 56.048 -0.015 0.000 1.160 548 H CB 2.106 31.859 29.762 -0.015 0.000 1.820 548 H HN 0.400 nan 8.280 nan 0.000 0.547 549 V N 5.346 124.876 119.914 -0.641 0.000 2.735 549 V HA 0.427 4.547 4.120 -0.000 0.000 0.310 549 V C -0.272 175.453 176.094 -0.616 0.000 1.061 549 V CA -0.661 61.368 62.300 -0.452 0.000 0.913 549 V CB 1.814 33.478 31.823 -0.264 0.000 1.005 549 V HN 0.659 nan 8.190 nan 0.000 0.428 550 I N 4.549 124.902 120.570 -0.362 0.000 2.410 550 I HA 0.461 4.631 4.170 -0.000 0.000 0.286 550 I C -0.412 175.472 176.117 -0.388 0.000 1.009 550 I CA -0.188 60.880 61.300 -0.386 0.000 1.111 550 I CB 1.685 39.472 38.000 -0.354 0.000 1.262 550 I HN 0.456 nan 8.210 nan 0.000 0.443 551 M N 6.036 125.419 119.600 -0.360 0.000 2.238 551 M HA 0.419 4.899 4.480 -0.000 0.000 0.350 551 M C -1.305 174.796 176.300 -0.330 0.000 1.138 551 M CA -0.372 54.781 55.300 -0.245 0.000 1.040 551 M CB 1.177 33.692 32.600 -0.142 0.000 1.639 551 M HN 0.329 nan 8.290 nan 0.000 0.451 552 Y N 1.937 122.215 120.300 -0.036 0.000 2.328 552 Y HA 0.756 5.306 4.550 -0.000 0.000 0.337 552 Y C 0.132 176.014 175.900 -0.030 0.000 1.008 552 Y CA -0.478 57.603 58.100 -0.032 0.000 1.129 552 Y CB 1.496 39.935 38.460 -0.036 0.000 1.185 552 Y HN 0.771 nan 8.280 nan 0.000 0.476 553 A N 1.873 124.761 122.820 0.114 0.000 2.567 553 A HA 0.374 4.694 4.320 -0.000 0.000 0.291 553 A C -0.740 176.867 177.584 0.039 0.000 1.048 553 A CA -0.799 51.271 52.037 0.055 0.000 0.661 553 A CB 0.973 19.984 19.000 0.018 0.000 1.288 553 A HN 0.640 nan 8.150 nan 0.000 0.424 554 D N -0.055 120.359 120.400 0.024 0.000 2.366 554 D HA 0.187 4.827 4.640 -0.000 0.000 0.205 554 D C 0.334 176.638 176.300 0.008 0.000 1.022 554 D CA 1.365 55.375 54.000 0.016 0.000 0.868 554 D CB 1.041 41.848 40.800 0.012 0.000 0.953 554 D HN 0.479 nan 8.370 nan 0.000 0.514 555 T N -0.005 114.552 114.554 0.004 0.000 2.883 555 T HA 0.445 4.795 4.350 -0.000 0.000 0.296 555 T C -1.474 173.222 174.700 -0.008 0.000 1.117 555 T CA -0.617 61.482 62.100 -0.002 0.000 1.006 555 T CB 1.499 70.366 68.868 -0.001 0.000 1.191 555 T HN -0.259 nan 8.240 nan 0.000 0.508 556 I N 4.344 124.908 120.570 -0.010 0.000 2.347 556 I HA 0.245 4.415 4.170 -0.000 0.000 0.283 556 I C 1.340 177.448 176.117 -0.016 0.000 1.058 556 I CA -0.499 60.791 61.300 -0.016 0.000 1.202 556 I CB 0.123 38.112 38.000 -0.018 0.000 1.386 556 I HN 0.789 nan 8.210 nan 0.000 0.475 557 T N 2.077 116.621 114.554 -0.017 0.000 2.813 557 T HA 0.154 4.504 4.350 -0.000 0.000 0.297 557 T C 1.254 175.941 174.700 -0.021 0.000 1.036 557 T CA -0.306 61.783 62.100 -0.017 0.000 1.044 557 T CB 1.624 70.481 68.868 -0.018 0.000 0.993 557 T HN 0.374 nan 8.240 nan 0.000 0.535 558 K N 0.866 121.254 120.400 -0.020 0.000 2.074 558 K HA -0.076 4.244 4.320 -0.000 0.000 0.209 558 K C 2.699 179.281 176.600 -0.029 0.000 1.048 558 K CA 1.803 58.077 56.287 -0.022 0.000 0.926 558 K CB -0.728 31.760 32.500 -0.019 0.000 0.713 558 K HN 0.641 nan 8.250 nan 0.000 0.444 559 S N 0.241 115.921 115.700 -0.033 0.000 2.370 559 S HA -0.159 4.311 4.470 -0.000 0.000 0.226 559 S C 1.901 176.474 174.600 -0.046 0.000 1.033 559 S CA 1.590 59.764 58.200 -0.044 0.000 1.011 559 S CB -0.217 62.952 63.200 -0.051 0.000 0.852 559 S HN 0.248 nan 8.310 nan 0.000 0.457 560 M N 1.004 120.580 119.600 -0.041 0.000 2.099 560 M HA -0.079 4.401 4.480 -0.000 0.000 0.262 560 M C 2.369 178.645 176.300 -0.041 0.000 1.067 560 M CA 1.248 56.522 55.300 -0.043 0.000 1.124 560 M CB -0.379 32.197 32.600 -0.040 0.000 1.353 560 M HN 0.251 nan 8.290 nan 0.000 0.410 561 E N 0.741 120.921 120.200 -0.034 0.000 2.033 561 E HA -0.241 4.109 4.350 -0.000 0.000 0.199 561 E C 1.916 178.497 176.600 -0.033 0.000 1.011 561 E CA 1.837 58.219 56.400 -0.030 0.000 0.815 561 E CB -0.302 29.384 29.700 -0.025 0.000 0.755 561 E HN 0.479 nan 8.360 nan 0.000 0.451 562 I N 0.951 121.500 120.570 -0.034 0.000 2.091 562 I HA -0.348 3.821 4.170 -0.000 0.000 0.239 562 I C 2.633 178.725 176.117 -0.043 0.000 1.061 562 I CA 1.472 62.750 61.300 -0.037 0.000 1.317 562 I CB -0.448 37.529 38.000 -0.039 0.000 1.031 562 I HN 0.107 nan 8.210 nan 0.000 0.401 563 A N 0.700 123.490 122.820 -0.050 0.000 1.908 563 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 563 A C 2.311 179.866 177.584 -0.049 0.000 1.181 563 A CA 1.776 53.780 52.037 -0.055 0.000 0.627 563 A CB -0.943 18.019 19.000 -0.063 0.000 0.818 563 A HN 0.433 nan 8.150 nan 0.000 0.445 564 I N -1.224 119.318 120.570 -0.047 0.000 2.179 564 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 564 I C 2.778 178.875 176.117 -0.033 0.000 1.088 564 I CA 1.552 62.826 61.300 -0.043 0.000 1.357 564 I CB -0.279 37.695 38.000 -0.043 0.000 1.051 564 I HN 0.285 nan 8.210 nan 0.000 0.409 565 Q N 0.698 120.480 119.800 -0.030 0.000 2.061 565 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 565 Q C 2.010 177.996 176.000 -0.024 0.000 0.984 565 Q CA 1.832 57.620 55.803 -0.024 0.000 0.846 565 Q CB -0.237 28.488 28.738 -0.022 0.000 0.902 565 Q HN 0.340 nan 8.270 nan 0.000 0.421 566 E N -0.951 119.231 120.200 -0.029 0.000 2.077 566 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 566 E C 1.776 178.360 176.600 -0.027 0.000 0.989 566 E CA 1.962 58.344 56.400 -0.029 0.000 0.800 566 E CB -0.477 29.201 29.700 -0.037 0.000 0.746 566 E HN 0.368 nan 8.360 nan 0.000 0.452 567 T N 0.152 114.688 114.554 -0.031 0.000 2.746 567 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 567 T C 1.782 176.471 174.700 -0.017 0.000 1.039 567 T CA 1.668 63.752 62.100 -0.028 0.000 1.142 567 T CB -0.258 68.588 68.868 -0.036 0.000 0.866 567 T HN 0.055 nan 8.240 nan 0.000 0.444 568 K N 1.031 121.422 120.400 -0.016 0.000 2.057 568 K HA 0.039 4.359 4.320 -0.000 0.000 0.207 568 K C 2.393 178.991 176.600 -0.004 0.000 1.049 568 K CA 1.062 57.344 56.287 -0.008 0.000 0.931 568 K CB -0.120 32.374 32.500 -0.009 0.000 0.714 568 K HN 0.135 nan 8.250 nan 0.000 0.440 569 R N 0.000 120.496 120.500 -0.007 0.000 2.075 569 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 569 R C 2.133 178.433 176.300 -0.001 0.000 1.126 569 R CA 1.441 57.539 56.100 -0.004 0.000 0.963 569 R CB -0.012 30.284 30.300 -0.007 0.000 0.858 569 R HN 0.093 nan 8.270 nan 0.000 0.435 570 R N -0.245 120.251 120.500 -0.007 0.000 2.073 570 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 570 R C 2.493 178.794 176.300 0.001 0.000 1.134 570 R CA 1.629 57.724 56.100 -0.007 0.000 0.952 570 R CB -0.335 29.956 30.300 -0.016 0.000 0.850 570 R HN 0.170 nan 8.270 nan 0.000 0.433 571 R N 0.694 121.196 120.500 0.003 0.000 2.083 571 R HA -0.159 4.181 4.340 -0.000 0.000 0.237 571 R C 2.212 178.526 176.300 0.022 0.000 1.137 571 R CA 1.713 57.820 56.100 0.012 0.000 0.951 571 R CB -0.321 29.986 30.300 0.011 0.000 0.851 571 R HN 0.249 nan 8.270 nan 0.000 0.434 572 A N 0.918 123.749 122.820 0.020 0.000 1.883 572 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 572 A C 2.192 179.800 177.584 0.040 0.000 1.186 572 A CA 1.678 53.731 52.037 0.026 0.000 0.624 572 A CB -0.588 18.423 19.000 0.019 0.000 0.822 572 A HN 0.405 nan 8.150 nan 0.000 0.444 573 I N -0.750 119.842 120.570 0.037 0.000 2.226 573 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 573 I C 2.808 178.975 176.117 0.083 0.000 1.100 573 I CA 1.666 62.998 61.300 0.053 0.000 1.374 573 I CB -0.378 37.642 38.000 0.034 0.000 1.057 573 I HN 0.440 nan 8.210 nan 0.000 0.413 574 Q N 0.258 120.092 119.800 0.056 0.000 2.124 574 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 574 Q C 2.108 178.179 176.000 0.119 0.000 0.977 574 Q CA 1.474 57.318 55.803 0.069 0.000 0.850 574 Q CB -0.086 28.665 28.738 0.023 0.000 0.901 574 Q HN 0.500 nan 8.270 nan 0.000 0.429 575 E N 0.590 120.840 120.200 0.084 0.000 2.072 575 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 575 E C 1.957 178.612 176.600 0.093 0.000 0.985 575 E CA 0.996 57.443 56.400 0.078 0.000 0.801 575 E CB 0.008 29.737 29.700 0.049 0.000 0.750 575 E HN 0.374 nan 8.360 nan 0.000 0.452 576 E N 0.226 120.482 120.200 0.094 0.000 2.085 576 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 576 E C 1.935 178.616 176.600 0.134 0.000 0.994 576 E CA 1.136 57.590 56.400 0.090 0.000 0.801 576 E CB -0.212 29.536 29.700 0.080 0.000 0.743 576 E HN 0.312 nan 8.360 nan 0.000 0.453 577 Y N 1.478 121.822 120.300 0.073 0.000 2.163 577 Y HA -0.198 4.352 4.550 -0.000 0.000 0.288 577 Y C 2.025 178.026 175.900 0.167 0.000 1.136 577 Y CA 2.105 60.284 58.100 0.131 0.000 1.147 577 Y CB -0.175 38.316 38.460 0.051 0.000 0.987 577 Y HN 0.108 nan 8.280 nan 0.000 0.509 578 N N 0.344 119.187 118.700 0.239 0.000 2.205 578 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 578 N C 1.943 177.487 175.510 0.056 0.000 1.015 578 N CA 1.343 54.480 53.050 0.144 0.000 0.862 578 N CB -0.484 38.078 38.487 0.125 0.000 0.986 578 N HN 0.400 nan 8.380 nan 0.000 0.429 579 R N 1.301 121.826 120.500 0.041 0.000 2.073 579 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 579 R C 2.035 178.306 176.300 -0.049 0.000 1.134 579 R CA 1.405 57.506 56.100 0.002 0.000 0.952 579 R CB -0.054 30.250 30.300 0.007 0.000 0.850 579 R HN 0.168 nan 8.270 nan 0.000 0.433 580 K N -0.847 119.500 120.400 -0.090 0.000 2.211 580 K HA -0.161 4.159 4.320 -0.000 0.000 0.203 580 K C 0.768 177.130 176.600 -0.396 0.000 1.050 580 K CA 1.706 57.852 56.287 -0.236 0.000 0.945 580 K CB 0.064 32.399 32.500 -0.275 0.000 0.732 580 K HN 0.357 nan 8.250 nan 0.000 0.451 581 H N -1.727 117.195 119.070 -0.246 0.000 2.755 581 H HA 0.261 4.817 4.556 -0.000 0.000 0.273 581 H C 0.429 175.689 175.328 -0.113 0.000 1.055 581 H CA 0.488 56.399 56.048 -0.228 0.000 1.191 581 H CB 1.564 31.086 29.762 -0.401 0.000 1.536 581 H HN 0.413 nan 8.280 nan 0.000 0.529 582 G N 1.330 110.134 108.800 0.005 0.000 2.212 582 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.255 582 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.255 582 G C -0.333 174.589 174.900 0.037 0.000 1.062 582 G CA 0.028 45.136 45.100 0.013 0.000 0.815 582 G HN 0.203 nan 8.290 nan 0.000 0.497 583 I N 0.499 121.103 120.570 0.057 0.000 2.336 583 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 583 I C 0.685 176.834 176.117 0.055 0.000 0.991 583 I CA -1.003 60.337 61.300 0.067 0.000 1.227 583 I CB 1.449 39.515 38.000 0.110 0.000 1.366 583 I HN -0.123 nan 8.210 nan 0.000 0.466 584 V N 8.563 128.501 119.914 0.041 0.000 2.407 584 V HA 0.267 4.387 4.120 -0.000 0.000 0.278 584 V C -2.013 174.101 176.094 0.034 0.000 1.037 584 V CA -1.508 60.812 62.300 0.033 0.000 0.900 584 V CB 1.259 33.096 31.823 0.023 0.000 0.983 584 V HN 0.605 nan 8.190 nan 0.000 0.459 585 P HA 0.316 nan 4.420 nan 0.000 0.271 585 P C -0.685 176.627 177.300 0.021 0.000 1.220 585 P CA -0.160 62.958 63.100 0.029 0.000 0.768 585 P CB 0.409 32.126 31.700 0.029 0.000 0.848 586 R N 0.375 120.885 120.500 0.016 0.000 2.740 586 R HA 0.506 4.846 4.340 -0.000 0.000 0.273 586 R C -1.091 175.214 176.300 0.008 0.000 0.998 586 R CA -0.704 55.404 56.100 0.012 0.000 0.900 586 R CB 0.019 30.326 30.300 0.012 0.000 1.223 586 R HN 0.171 nan 8.270 nan 0.000 0.466 587 T N 2.045 116.604 114.554 0.009 0.000 2.871 587 T HA 0.068 4.418 4.350 -0.000 0.000 0.296 587 T C 0.682 175.384 174.700 0.003 0.000 0.998 587 T CA -0.204 61.901 62.100 0.008 0.000 1.162 587 T CB 0.156 69.031 68.868 0.011 0.000 0.947 587 T HN 0.405 nan 8.240 nan 0.000 0.536 588 V N 2.974 122.888 119.914 -0.000 0.000 2.421 588 V HA 0.258 4.378 4.120 -0.000 0.000 0.271 588 V C 0.638 176.731 176.094 -0.001 0.000 1.031 588 V CA -0.716 61.581 62.300 -0.006 0.000 1.032 588 V CB -0.366 31.450 31.823 -0.013 0.000 1.009 588 V HN 0.696 nan 8.190 nan 0.000 0.477 589 K N 4.039 124.438 120.400 -0.001 0.000 2.258 589 K HA 0.461 4.781 4.320 -0.000 0.000 0.264 589 K C -0.253 176.348 176.600 0.001 0.000 1.007 589 K CA -0.347 55.941 56.287 0.002 0.000 0.941 589 K CB 0.649 33.151 32.500 0.003 0.000 0.966 589 K HN 0.800 nan 8.250 nan 0.000 0.480 590 K N 2.125 122.527 120.400 0.003 0.000 2.525 590 K HA 0.092 4.412 4.320 -0.000 0.000 0.254 590 K C -1.383 175.220 176.600 0.005 0.000 0.934 590 K CA -0.768 55.521 56.287 0.003 0.000 0.802 590 K CB 1.829 34.332 32.500 0.005 0.000 1.295 590 K HN 0.684 nan 8.250 nan 0.000 0.433 591 E N 3.420 123.622 120.200 0.003 0.000 2.374 591 E HA 0.279 4.629 4.350 -0.000 0.000 0.260 591 E C -0.201 176.401 176.600 0.004 0.000 1.101 591 E CA -0.592 55.810 56.400 0.003 0.000 0.907 591 E CB 0.770 30.471 29.700 0.001 0.000 1.014 591 E HN 0.330 nan 8.360 nan 0.000 0.427 592 I N 0.974 121.546 120.570 0.004 0.000 2.353 592 I HA 0.346 4.516 4.170 -0.000 0.000 0.293 592 I C 0.595 176.714 176.117 0.002 0.000 0.992 592 I CA -0.998 60.304 61.300 0.004 0.000 1.268 592 I CB 0.796 38.799 38.000 0.005 0.000 1.387 592 I HN 0.434 nan 8.210 nan 0.000 0.478 593 R N 3.658 124.160 120.500 0.003 0.000 2.649 593 R HA 0.371 4.711 4.340 -0.000 0.000 0.270 593 R C -0.904 175.397 176.300 0.000 0.000 1.105 593 R CA -0.454 55.647 56.100 0.001 0.000 1.193 593 R CB 0.723 31.023 30.300 0.002 0.000 1.120 593 R HN 0.624 nan 8.270 nan 0.000 0.561 594 D N -0.786 119.613 120.400 -0.002 0.000 3.368 594 D HA 0.170 4.810 4.640 -0.000 0.000 0.189 594 D C -0.332 175.966 176.300 -0.003 0.000 1.279 594 D CA -0.521 53.477 54.000 -0.003 0.000 1.206 594 D CB -0.035 40.762 40.800 -0.004 0.000 1.136 594 D HN 0.117 nan 8.370 nan 0.000 0.490 595 V N 0.000 119.911 119.914 -0.005 0.000 2.409 595 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 595 V CA 0.000 62.297 62.300 -0.006 0.000 1.235 595 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 595 V HN 0.000 nan 8.190 nan 0.000 0.556