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 1f0i_1_A DATA FIRST_RESID 6 DATA SEQUENCE AATPHLDAVE QTLRQVSPGL EGDVWERTSG NKLDGSAADP SDWLLQTPGc DATA SEQUENCE WGDDKcADRV GTKRLLAKMT ENIGNATRTV DISTLAPFPN GAFQDAIVAG DATA SEQUENCE LKESAAKGNS LKVRILVGAA PXXHMNGIPS KYRDKLTAKL GKAAENITLN DATA SEQUENCE VASMTTSKTA FSWNHSKILV VDGQSALTGG INSWKDDYLD TTHPVSDVDL DATA SEQUENCE ALTGPAAGSA GRYLDTLWTW TcKNKSNIAS VWFAASGNAG cMPTMHKDTN DATA SEQUENCE PKASPATGNV PVIAVGGLGV GIKDVDPKST FRPDLXXXPT ASDTKcVXVG DATA SEQUENCE LHDNTNADRD YDTVNPEESA LRALVASAKG HIEISQQDLN ATcPPLPRYD DATA SEQUENCE IRLYDALAAK MAAGVKVRIV VSDPANRXXX XXXGYSQIKS LSEISDTLRN DATA SEQUENCE RLANITGGQQ AXAKTAMcSN LQLATFRSSP NGKWADGHPY AQHHKLVSVD DATA SEQUENCE SSTFYIGSKN LYPSWLQDFG YIVESPEAAK QLDAKLLDPQ WKYSQETATV DATA SEQUENCE DYARGIcGA 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 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.571 177.584 -0.021 0.000 1.274 6 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 6 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 7 A N 0.610 123.422 122.820 -0.012 0.000 2.119 7 A HA 0.305 4.626 4.320 0.001 0.000 0.217 7 A C 1.342 178.928 177.584 0.004 0.000 1.153 7 A CA 2.218 54.252 52.037 -0.004 0.000 0.692 7 A CB -0.743 18.255 19.000 -0.004 0.000 0.799 7 A HN 1.327 nan 8.150 nan 0.000 0.458 8 T N -3.687 110.864 114.554 -0.004 0.000 3.585 8 T HA 0.378 4.729 4.350 0.001 0.000 0.252 8 T C -1.842 172.850 174.700 -0.014 0.000 1.382 8 T CA -1.041 61.065 62.100 0.010 0.000 1.584 8 T CB 1.139 70.008 68.868 0.002 0.000 0.892 8 T HN 0.137 nan 8.240 nan 0.000 0.671 9 P HA -0.141 nan 4.420 nan 0.000 0.218 9 P C 0.851 178.032 177.300 -0.199 0.000 1.149 9 P CA 1.375 64.374 63.100 -0.167 0.000 0.817 9 P CB 0.077 31.610 31.700 -0.278 0.000 0.785 10 H N -0.308 118.732 119.070 -0.051 0.000 2.333 10 H HA 0.044 4.601 4.556 0.001 0.000 0.302 10 H C 2.234 177.524 175.328 -0.063 0.000 1.075 10 H CA 0.983 56.995 56.048 -0.059 0.000 1.348 10 H CB -1.083 28.641 29.762 -0.063 0.000 1.393 10 H HN 0.010 nan 8.280 nan 0.000 0.509 11 L N 0.380 121.644 121.223 0.070 0.000 2.141 11 L HA -0.161 4.180 4.340 0.001 0.000 0.209 11 L C 1.661 178.526 176.870 -0.008 0.000 1.094 11 L CA 0.971 55.819 54.840 0.013 0.000 0.763 11 L CB -0.261 41.801 42.059 0.004 0.000 0.908 11 L HN 0.272 nan 8.230 nan 0.000 0.437 12 D N 0.530 120.920 120.400 -0.017 0.000 2.123 12 D HA -0.170 4.471 4.640 0.001 0.000 0.196 12 D C 2.234 178.504 176.300 -0.050 0.000 0.992 12 D CA 1.593 55.575 54.000 -0.029 0.000 0.833 12 D CB -0.010 40.766 40.800 -0.039 0.000 0.954 12 D HN 0.318 nan 8.370 nan 0.000 0.455 13 A N 0.336 123.118 122.820 -0.062 0.000 1.897 13 A HA -0.082 4.239 4.320 0.001 0.000 0.215 13 A C 2.498 180.023 177.584 -0.097 0.000 1.181 13 A CA 0.954 52.944 52.037 -0.079 0.000 0.620 13 A CB -0.655 18.298 19.000 -0.078 0.000 0.821 13 A HN 0.132 nan 8.150 nan 0.000 0.443 14 V N 0.313 120.175 119.914 -0.087 0.000 2.343 14 V HA -0.289 3.832 4.120 0.001 0.000 0.247 14 V C 2.552 178.526 176.094 -0.199 0.000 1.051 14 V CA 2.372 64.594 62.300 -0.131 0.000 1.036 14 V CB -0.726 31.039 31.823 -0.096 0.000 0.654 14 V HN 0.800 nan 8.190 nan 0.000 0.451 15 E N -0.189 119.932 120.200 -0.132 0.000 2.077 15 E HA -0.274 4.077 4.350 0.001 0.000 0.193 15 E C 2.281 178.773 176.600 -0.179 0.000 0.989 15 E CA 1.486 57.807 56.400 -0.130 0.000 0.800 15 E CB -0.124 29.598 29.700 0.037 0.000 0.746 15 E HN 0.669 nan 8.360 nan 0.000 0.452 16 Q N -0.283 119.438 119.800 -0.131 0.000 2.096 16 Q HA -0.149 4.192 4.340 0.001 0.000 0.204 16 Q C 2.263 178.117 176.000 -0.244 0.000 0.982 16 Q CA 1.963 57.681 55.803 -0.141 0.000 0.850 16 Q CB -0.137 28.536 28.738 -0.108 0.000 0.901 16 Q HN 0.325 nan 8.270 nan 0.000 0.422 17 T N 1.570 115.954 114.554 -0.284 0.000 2.737 17 T HA -0.077 4.274 4.350 0.001 0.000 0.265 17 T C 1.919 176.332 174.700 -0.477 0.000 1.038 17 T CA 0.831 62.708 62.100 -0.370 0.000 1.144 17 T CB -0.166 68.534 68.868 -0.281 0.000 0.866 17 T HN 0.185 nan 8.240 nan 0.000 0.434 18 L N 0.421 121.285 121.223 -0.600 0.000 2.141 18 L HA -0.008 4.333 4.340 0.001 0.000 0.209 18 L C 2.774 179.204 176.870 -0.734 0.000 1.094 18 L CA 1.112 55.382 54.840 -0.949 0.000 0.763 18 L CB -0.465 40.516 42.059 -1.797 0.000 0.908 18 L HN 0.144 nan 8.230 nan 0.000 0.437 19 R N -0.154 120.101 120.500 -0.408 0.000 2.148 19 R HA -0.125 4.216 4.340 0.001 0.000 0.223 19 R C 2.304 178.560 176.300 -0.075 0.000 1.088 19 R CA 0.966 57.079 56.100 0.022 0.000 0.985 19 R CB 0.084 30.460 30.300 0.126 0.000 0.880 19 R HN 0.442 nan 8.270 nan 0.000 0.451 20 Q N -0.539 119.100 119.800 -0.268 0.000 2.123 20 Q HA -0.082 4.258 4.340 0.001 0.000 0.199 20 Q C 2.073 177.914 176.000 -0.265 0.000 0.966 20 Q CA 1.364 56.956 55.803 -0.352 0.000 0.845 20 Q CB 0.287 28.546 28.738 -0.797 0.000 0.907 20 Q HN 0.230 nan 8.270 nan 0.000 0.439 21 V N 0.078 119.813 119.914 -0.300 0.000 2.346 21 V HA -0.089 4.032 4.120 0.001 0.000 0.244 21 V C 0.981 177.081 176.094 0.010 0.000 1.037 21 V CA 1.323 63.579 62.300 -0.074 0.000 1.029 21 V CB 0.263 32.013 31.823 -0.123 0.000 0.663 21 V HN 0.094 nan 8.190 nan 0.000 0.454 22 S N -0.108 115.597 115.700 0.007 0.000 2.399 22 S HA 0.266 4.737 4.470 0.001 0.000 0.198 22 S C -1.777 173.025 174.600 0.336 0.000 1.294 22 S CA -0.613 57.681 58.200 0.156 0.000 1.237 22 S CB 1.054 64.361 63.200 0.178 0.000 1.286 22 S HN 0.396 nan 8.310 nan 0.000 0.404 23 P HA -0.072 nan 4.420 nan 0.000 0.217 23 P C 1.593 178.996 177.300 0.171 0.000 1.150 23 P CA 1.121 64.362 63.100 0.236 0.000 0.832 23 P CB -0.140 31.640 31.700 0.134 0.000 0.787 24 G N -0.629 108.251 108.800 0.132 0.000 2.598 24 G HA2 -0.078 3.883 3.960 0.001 0.000 0.215 24 G HA3 -0.078 3.883 3.960 0.001 0.000 0.215 24 G C 1.195 176.136 174.900 0.068 0.000 1.131 24 G CA 0.206 45.354 45.100 0.080 0.000 0.785 24 G HN 0.189 nan 8.290 nan 0.000 0.539 25 L N 0.042 121.338 121.223 0.122 0.000 2.640 25 L HA 0.288 4.628 4.340 0.001 0.000 0.230 25 L C 1.019 177.808 176.870 -0.134 0.000 1.123 25 L CA -0.217 54.674 54.840 0.085 0.000 0.900 25 L CB 0.256 42.446 42.059 0.219 0.000 1.146 25 L HN 0.184 nan 8.230 nan 0.000 0.484 26 E N 0.083 120.094 120.200 -0.315 0.000 2.465 26 E HA 0.269 4.619 4.350 0.001 0.000 0.260 26 E C 1.252 177.544 176.600 -0.514 0.000 0.980 26 E CA 0.934 56.777 56.400 -0.929 0.000 0.927 26 E CB 0.215 29.448 29.700 -0.779 0.000 0.934 26 E HN 0.321 nan 8.360 nan 0.000 0.459 27 G N 4.313 112.806 108.800 -0.511 0.000 2.279 27 G HA2 -0.239 3.722 3.960 0.001 0.000 0.223 27 G HA3 -0.239 3.722 3.960 0.001 0.000 0.223 27 G C 0.647 175.489 174.900 -0.097 0.000 1.015 27 G CA 0.345 45.309 45.100 -0.227 0.000 0.621 27 G HN 0.659 nan 8.290 nan 0.000 0.506 28 D N -0.630 119.726 120.400 -0.074 0.000 2.929 28 D HA 0.231 4.871 4.640 0.001 0.000 0.291 28 D C 2.252 178.653 176.300 0.169 0.000 1.086 28 D CA 1.171 55.199 54.000 0.046 0.000 0.971 28 D CB 0.332 41.155 40.800 0.038 0.000 1.275 28 D HN 0.305 nan 8.370 nan 0.000 0.469 29 V N 0.852 120.875 119.914 0.180 0.000 3.621 29 V HA 0.144 4.265 4.120 0.001 0.000 0.263 29 V C 0.141 176.456 176.094 0.369 0.000 1.272 29 V CA 0.084 62.600 62.300 0.360 0.000 1.080 29 V CB 0.647 32.665 31.823 0.324 0.000 0.816 29 V HN 0.260 nan 8.190 nan 0.000 0.451 30 W N 0.051 121.417 121.300 0.110 0.000 3.167 30 W HA 0.823 5.484 4.660 0.002 0.000 0.324 30 W C -1.387 175.172 176.519 0.067 0.000 1.230 30 W CA -0.832 56.548 57.345 0.058 0.000 1.184 30 W CB 1.809 31.271 29.460 0.005 0.000 1.414 30 W HN 0.048 nan 8.180 nan 0.000 0.551 31 E N 2.261 122.548 120.200 0.146 0.000 2.388 31 E HA 0.280 4.631 4.350 0.001 0.000 0.289 31 E C -1.692 174.978 176.600 0.116 0.000 0.944 31 E CA -0.665 55.674 56.400 -0.101 0.000 0.792 31 E CB 2.698 32.350 29.700 -0.080 0.000 1.239 31 E HN 0.584 nan 8.360 nan 0.000 0.412 32 R N 2.316 122.869 120.500 0.088 0.000 2.297 32 R HA 0.477 4.817 4.340 0.001 0.000 0.308 32 R C -0.768 175.557 176.300 0.043 0.000 1.029 32 R CA 0.148 56.317 56.100 0.114 0.000 0.929 32 R CB 1.045 31.434 30.300 0.148 0.000 1.046 32 R HN 0.616 nan 8.270 nan 0.000 0.461 33 T N -0.277 114.298 114.554 0.035 0.000 2.901 33 T HA 0.549 4.900 4.350 0.001 0.000 0.293 33 T C -0.467 174.227 174.700 -0.011 0.000 1.084 33 T CA -0.829 61.277 62.100 0.009 0.000 1.008 33 T CB 1.929 70.805 68.868 0.012 0.000 1.170 33 T HN 0.409 nan 8.240 nan 0.000 0.509 34 S N -0.752 114.938 115.700 -0.016 0.000 2.739 34 S HA 0.769 5.239 4.470 0.001 0.000 0.306 34 S C 1.087 175.667 174.600 -0.033 0.000 1.115 34 S CA 0.000 58.184 58.200 -0.027 0.000 0.985 34 S CB 0.991 64.180 63.200 -0.019 0.000 1.133 34 S HN 2.029 nan 8.310 nan 0.000 0.541 35 G N 1.585 110.361 108.800 -0.040 0.000 2.176 35 G HA2 -0.204 3.756 3.960 0.001 0.000 0.252 35 G HA3 -0.204 3.756 3.960 0.001 0.000 0.252 35 G C -0.152 174.719 174.900 -0.049 0.000 1.024 35 G CA -0.286 44.791 45.100 -0.037 0.000 0.755 35 G HN 0.555 nan 8.290 nan 0.000 0.507 36 N N -0.079 118.575 118.700 -0.076 0.000 2.413 36 N HA 0.565 5.306 4.740 0.001 0.000 0.266 36 N C -0.028 175.418 175.510 -0.106 0.000 1.238 36 N CA -0.063 52.926 53.050 -0.101 0.000 0.972 36 N CB 1.178 39.571 38.487 -0.157 0.000 1.210 36 N HN 0.444 nan 8.380 nan 0.000 0.547 37 K N 0.888 121.219 120.400 -0.116 0.000 2.501 37 K HA 0.253 4.574 4.320 0.001 0.000 0.252 37 K C -1.379 175.131 176.600 -0.151 0.000 0.934 37 K CA -0.652 55.567 56.287 -0.113 0.000 0.797 37 K CB 1.076 33.541 32.500 -0.059 0.000 1.270 37 K HN 0.192 nan 8.250 nan 0.000 0.431 38 L N 3.307 124.395 121.223 -0.226 0.000 2.361 38 L HA 0.154 4.495 4.340 0.001 0.000 0.278 38 L C 0.166 177.010 176.870 -0.044 0.000 1.113 38 L CA 0.299 54.965 54.840 -0.290 0.000 0.849 38 L CB 0.546 42.099 42.059 -0.844 0.000 1.155 38 L HN 0.687 nan 8.230 nan 0.000 0.452 39 D N 2.608 123.068 120.400 0.100 0.000 2.767 39 D HA 0.315 4.956 4.640 0.001 0.000 0.241 39 D C 0.509 176.934 176.300 0.208 0.000 1.187 39 D CA -0.043 54.034 54.000 0.129 0.000 0.999 39 D CB 0.348 41.209 40.800 0.102 0.000 1.042 39 D HN 0.642 nan 8.370 nan 0.000 0.510 40 G N 0.190 109.138 108.800 0.247 0.000 2.477 40 G HA2 0.421 4.382 3.960 0.001 0.000 0.304 40 G HA3 0.421 4.382 3.960 0.001 0.000 0.304 40 G C 0.108 175.091 174.900 0.138 0.000 1.175 40 G CA -0.552 44.689 45.100 0.236 0.000 0.907 40 G HN 0.340 nan 8.290 nan 0.000 0.509 41 S N -0.525 115.238 115.700 0.105 0.000 2.603 41 S HA 0.447 4.918 4.470 0.001 0.000 0.268 41 S C 1.624 176.265 174.600 0.069 0.000 1.317 41 S CA 0.250 58.494 58.200 0.074 0.000 1.012 41 S CB 1.498 64.732 63.200 0.057 0.000 0.926 41 S HN 1.255 nan 8.310 nan 0.000 0.539 42 A N 1.910 124.763 122.820 0.055 0.000 1.972 42 A HA 0.196 4.516 4.320 0.001 0.000 0.219 42 A C 2.322 179.932 177.584 0.044 0.000 1.169 42 A CA 1.570 53.635 52.037 0.048 0.000 0.635 42 A CB -1.519 17.504 19.000 0.038 0.000 0.810 42 A HN 1.334 nan 8.150 nan 0.000 0.446 43 A N -1.503 121.341 122.820 0.040 0.000 1.968 43 A HA 0.071 4.391 4.320 0.001 0.000 0.217 43 A C 0.873 178.478 177.584 0.036 0.000 1.169 43 A CA 1.530 53.588 52.037 0.034 0.000 0.638 43 A CB 0.001 19.019 19.000 0.030 0.000 0.812 43 A HN 0.328 nan 8.150 nan 0.000 0.446 44 D N -2.100 118.325 120.400 0.041 0.000 2.517 44 D HA 0.283 4.924 4.640 0.001 0.000 0.263 44 D C -2.331 174.000 176.300 0.052 0.000 1.233 44 D CA -1.592 52.430 54.000 0.036 0.000 0.849 44 D CB 1.084 41.898 40.800 0.023 0.000 1.261 44 D HN -0.018 nan 8.370 nan 0.000 0.516 45 P HA -0.108 nan 4.420 nan 0.000 0.222 45 P C 1.202 178.621 177.300 0.198 0.000 1.147 45 P CA 0.759 63.941 63.100 0.135 0.000 0.790 45 P CB 0.104 31.881 31.700 0.129 0.000 0.780 46 S N -0.276 115.467 115.700 0.072 0.000 2.607 46 S HA -0.090 4.381 4.470 0.001 0.000 0.224 46 S C 1.210 175.541 174.600 -0.448 0.000 0.969 46 S CA 0.564 58.697 58.200 -0.111 0.000 0.927 46 S CB -1.146 61.977 63.200 -0.129 0.000 0.772 46 S HN 0.176 nan 8.310 nan 0.000 0.533 47 D N 1.579 121.880 120.400 -0.165 0.000 2.324 47 D HA -0.086 4.554 4.640 0.001 0.000 0.235 47 D C 1.517 177.771 176.300 -0.076 0.000 1.095 47 D CA -0.273 53.635 54.000 -0.154 0.000 0.871 47 D CB -1.010 39.767 40.800 -0.038 0.000 0.906 47 D HN 0.781 nan 8.370 nan 0.000 0.522 48 W N 0.058 121.387 121.300 0.048 0.000 2.421 48 W HA -0.019 4.642 4.660 0.001 0.000 0.270 48 W C -0.041 176.516 176.519 0.064 0.000 1.233 48 W CA -0.449 56.929 57.345 0.055 0.000 1.226 48 W CB -0.715 28.778 29.460 0.055 0.000 1.121 48 W HN -0.023 nan 8.180 nan 0.000 0.579 49 L N 2.712 123.460 121.223 -0.791 0.000 2.385 49 L HA 0.242 4.583 4.340 0.001 0.000 0.285 49 L C 0.054 176.778 176.870 -0.244 0.000 1.125 49 L CA -0.172 54.224 54.840 -0.741 0.000 0.890 49 L CB -0.007 41.299 42.059 -1.255 0.000 1.251 49 L HN -0.055 nan 8.230 nan 0.000 0.445 50 L N 6.012 127.212 121.223 -0.037 0.000 2.480 50 L HA 0.200 4.541 4.340 0.001 0.000 0.243 50 L C 0.637 177.541 176.870 0.056 0.000 1.315 50 L CA -0.251 54.606 54.840 0.029 0.000 1.231 50 L CB -0.424 41.684 42.059 0.082 0.000 1.444 50 L HN 0.673 nan 8.230 nan 0.000 0.409 51 Q N -0.063 119.766 119.800 0.048 0.000 2.354 51 Q HA 0.409 4.750 4.340 0.001 0.000 0.244 51 Q C -0.268 175.794 176.000 0.103 0.000 0.969 51 Q CA -0.391 55.481 55.803 0.116 0.000 0.885 51 Q CB 1.780 30.618 28.738 0.167 0.000 1.241 51 Q HN 0.144 nan 8.270 nan 0.000 0.461 52 T N 0.571 115.199 114.554 0.122 0.000 2.933 52 T HA 0.386 4.736 4.350 0.001 0.000 0.305 52 T C -2.330 172.420 174.700 0.082 0.000 1.092 52 T CA -1.918 60.242 62.100 0.100 0.000 1.008 52 T CB 1.713 70.670 68.868 0.149 0.000 1.102 52 T HN 0.576 nan 8.240 nan 0.000 0.469 53 P HA 0.219 nan 4.420 nan 0.000 0.240 53 P C 0.791 178.066 177.300 -0.042 0.000 1.190 53 P CA 0.658 63.757 63.100 -0.001 0.000 0.781 53 P CB -0.201 31.487 31.700 -0.021 0.000 0.931 54 G N 1.351 110.077 108.800 -0.123 0.000 2.370 54 G HA2 -0.220 3.741 3.960 0.001 0.000 0.295 54 G HA3 -0.220 3.741 3.960 0.001 0.000 0.295 54 G C 0.245 175.069 174.900 -0.126 0.000 1.045 54 G CA -0.006 45.016 45.100 -0.129 0.000 1.199 54 G HN 0.621 nan 8.290 nan 0.000 0.513 55 c N -1.880 116.564 118.600 -0.261 0.000 3.206 55 c HA 0.580 5.151 4.570 0.001 0.000 0.206 55 c C 0.615 174.654 174.090 -0.085 0.000 1.836 55 c CA -2.148 54.135 56.329 -0.078 0.000 1.382 55 c CB -1.354 41.159 42.510 0.006 0.000 2.405 55 c HN 0.536 nan 8.230 nan 0.000 0.516 56 W N 1.232 122.588 121.300 0.093 0.000 2.257 56 W HA 0.437 5.097 4.660 0.000 0.000 0.337 56 W C 1.465 177.961 176.519 -0.040 0.000 1.321 56 W CA 2.117 59.488 57.345 0.044 0.000 1.267 56 W CB 0.256 29.809 29.460 0.156 0.000 1.187 56 W HN 1.052 nan 8.180 nan 0.000 0.565 57 G N 1.645 110.388 108.800 -0.096 0.000 2.199 57 G HA2 -0.313 3.648 3.960 0.001 0.000 0.254 57 G HA3 -0.313 3.648 3.960 0.001 0.000 0.254 57 G C -0.396 174.427 174.900 -0.127 0.000 0.982 57 G CA 0.117 45.094 45.100 -0.206 0.000 0.632 57 G HN 0.526 nan 8.290 nan 0.000 0.529 58 D N 0.936 121.304 120.400 -0.052 0.000 2.453 58 D HA 0.470 5.110 4.640 0.001 0.000 0.238 58 D C 1.152 177.521 176.300 0.115 0.000 1.088 58 D CA -0.106 53.913 54.000 0.032 0.000 0.854 58 D CB 0.821 41.661 40.800 0.067 0.000 1.076 58 D HN 0.129 nan 8.370 nan 0.000 0.533 59 D N 2.677 123.133 120.400 0.095 0.000 2.371 59 D HA -0.119 4.521 4.640 0.001 0.000 0.221 59 D C 0.763 177.254 176.300 0.318 0.000 0.986 59 D CA 0.737 54.856 54.000 0.199 0.000 0.899 59 D CB 0.111 40.956 40.800 0.074 0.000 0.902 59 D HN 0.359 nan 8.370 nan 0.000 0.530 60 K N -0.863 119.649 120.400 0.186 0.000 2.367 60 K HA 0.159 4.480 4.320 0.001 0.000 0.194 60 K C 0.233 176.865 176.600 0.053 0.000 1.027 60 K CA 0.079 56.429 56.287 0.105 0.000 1.075 60 K CB 0.143 32.671 32.500 0.046 0.000 0.845 60 K HN 0.100 nan 8.250 nan 0.000 0.529 61 c N 1.375 120.055 118.600 0.132 0.000 4.056 61 c HA -0.239 4.332 4.570 0.001 0.000 0.302 61 c C 1.750 175.828 174.090 -0.020 0.000 1.356 61 c CA 0.083 56.443 56.329 0.051 0.000 2.074 61 c CB -2.001 40.432 42.510 -0.128 0.000 1.328 61 c HN 0.642 nan 8.230 nan 0.000 0.684 62 A N 0.242 123.065 122.820 0.004 0.000 1.872 62 A HA 0.037 4.358 4.320 0.001 0.000 0.214 62 A C 1.155 178.731 177.584 -0.013 0.000 1.187 62 A CA 1.866 53.896 52.037 -0.011 0.000 0.614 62 A CB -0.204 18.799 19.000 0.004 0.000 0.826 62 A HN 0.793 nan 8.150 nan 0.000 0.442 63 D N 0.161 120.563 120.400 0.002 0.000 2.485 63 D HA 0.271 4.912 4.640 0.001 0.000 0.229 63 D C -0.411 175.891 176.300 0.002 0.000 1.101 63 D CA -0.332 53.671 54.000 0.005 0.000 0.906 63 D CB 0.065 40.878 40.800 0.022 0.000 1.019 63 D HN 0.186 nan 8.370 nan 0.000 0.516 64 R N 3.181 123.671 120.500 -0.015 0.000 3.657 64 R HA 0.109 4.450 4.340 0.001 0.000 0.220 64 R C 1.581 177.875 176.300 -0.009 0.000 1.548 64 R CA -0.196 55.891 56.100 -0.022 0.000 1.465 64 R CB 0.469 30.741 30.300 -0.047 0.000 1.330 64 R HN 0.298 nan 8.270 nan 0.000 0.707 65 V N -1.024 118.896 119.914 0.010 0.000 2.490 65 V HA -0.086 4.035 4.120 0.001 0.000 0.250 65 V C 1.920 178.025 176.094 0.018 0.000 1.061 65 V CA 1.954 64.265 62.300 0.019 0.000 1.064 65 V CB -0.587 31.259 31.823 0.040 0.000 0.670 65 V HN 0.556 nan 8.190 nan 0.000 0.461 66 G N 0.421 109.234 108.800 0.022 0.000 2.414 66 G HA2 -0.190 3.771 3.960 0.001 0.000 0.215 66 G HA3 -0.190 3.771 3.960 0.001 0.000 0.215 66 G C 1.573 176.483 174.900 0.016 0.000 1.188 66 G CA 1.457 46.573 45.100 0.028 0.000 0.783 66 G HN 0.479 nan 8.290 nan 0.000 0.537 67 T N 0.879 115.434 114.554 0.002 0.000 2.720 67 T HA -0.107 4.244 4.350 0.001 0.000 0.268 67 T C 2.337 177.015 174.700 -0.036 0.000 1.037 67 T CA 1.594 63.682 62.100 -0.019 0.000 1.144 67 T CB -0.167 68.675 68.868 -0.043 0.000 0.864 67 T HN 0.299 nan 8.240 nan 0.000 0.444 68 K N 0.469 120.853 120.400 -0.027 0.000 2.057 68 K HA -0.071 4.250 4.320 0.001 0.000 0.207 68 K C 2.545 179.138 176.600 -0.012 0.000 1.049 68 K CA 1.163 57.434 56.287 -0.027 0.000 0.931 68 K CB -0.124 32.366 32.500 -0.017 0.000 0.714 68 K HN 0.054 nan 8.250 nan 0.000 0.440 69 R N 1.590 122.091 120.500 0.002 0.000 2.096 69 R HA -0.118 4.222 4.340 0.001 0.000 0.235 69 R C 2.085 178.398 176.300 0.022 0.000 1.127 69 R CA 1.085 57.194 56.100 0.014 0.000 0.968 69 R CB -0.663 29.647 30.300 0.015 0.000 0.861 69 R HN 0.169 nan 8.270 nan 0.000 0.440 70 L N 0.142 121.378 121.223 0.022 0.000 1.989 70 L HA -0.081 4.260 4.340 0.001 0.000 0.211 70 L C 1.956 178.846 176.870 0.034 0.000 1.071 70 L CA 1.837 56.701 54.840 0.040 0.000 0.749 70 L CB -0.472 41.616 42.059 0.048 0.000 0.890 70 L HN 0.311 nan 8.230 nan 0.000 0.431 71 L N -0.530 120.686 121.223 -0.013 0.000 2.093 71 L HA -0.130 4.211 4.340 0.001 0.000 0.208 71 L C 2.720 179.593 176.870 0.004 0.000 1.085 71 L CA 1.068 55.890 54.840 -0.030 0.000 0.755 71 L CB -0.979 41.018 42.059 -0.102 0.000 0.904 71 L HN 0.406 nan 8.230 nan 0.000 0.435 72 A N 0.151 122.974 122.820 0.006 0.000 1.902 72 A HA -0.242 4.079 4.320 0.001 0.000 0.217 72 A C 2.314 179.919 177.584 0.035 0.000 1.181 72 A CA 1.955 54.003 52.037 0.017 0.000 0.623 72 A CB -0.357 18.652 19.000 0.015 0.000 0.818 72 A HN 0.212 nan 8.150 nan 0.000 0.443 73 K N -0.291 120.137 120.400 0.045 0.000 2.103 73 K HA 0.048 4.369 4.320 0.001 0.000 0.204 73 K C 1.891 178.533 176.600 0.070 0.000 1.052 73 K CA 1.606 57.931 56.287 0.062 0.000 0.945 73 K CB -0.477 32.068 32.500 0.074 0.000 0.722 73 K HN 0.501 nan 8.250 nan 0.000 0.443 74 M N -0.194 119.451 119.600 0.075 0.000 2.080 74 M HA -0.192 4.289 4.480 0.001 0.000 0.260 74 M C 1.920 178.265 176.300 0.075 0.000 1.068 74 M CA 2.283 57.636 55.300 0.087 0.000 1.109 74 M CB -0.599 32.066 32.600 0.109 0.000 1.342 74 M HN 0.107 nan 8.290 nan 0.000 0.405 75 T N -0.307 114.283 114.554 0.060 0.000 2.746 75 T HA -0.189 4.162 4.350 0.001 0.000 0.267 75 T C 1.666 176.395 174.700 0.048 0.000 1.039 75 T CA 1.558 63.688 62.100 0.050 0.000 1.142 75 T CB -0.295 68.594 68.868 0.035 0.000 0.866 75 T HN 0.477 nan 8.240 nan 0.000 0.444 76 E N 0.867 121.095 120.200 0.047 0.000 2.051 76 E HA -0.192 4.159 4.350 0.001 0.000 0.192 76 E C 2.073 178.703 176.600 0.050 0.000 0.991 76 E CA 1.121 57.548 56.400 0.045 0.000 0.799 76 E CB -0.042 29.686 29.700 0.046 0.000 0.748 76 E HN 0.286 nan 8.360 nan 0.000 0.449 77 N N 0.540 119.276 118.700 0.060 0.000 2.142 77 N HA -0.115 4.626 4.740 0.001 0.000 0.186 77 N C 1.923 177.469 175.510 0.061 0.000 1.023 77 N CA 1.031 54.119 53.050 0.064 0.000 0.852 77 N CB -0.209 38.323 38.487 0.076 0.000 0.998 77 N HN 0.248 nan 8.380 nan 0.000 0.424 78 I N 0.009 120.617 120.570 0.064 0.000 2.226 78 I HA -0.142 4.029 4.170 0.001 0.000 0.245 78 I C 2.174 178.320 176.117 0.049 0.000 1.100 78 I CA 1.198 62.535 61.300 0.061 0.000 1.374 78 I CB -0.566 37.475 38.000 0.068 0.000 1.057 78 I HN 0.155 nan 8.210 nan 0.000 0.413 79 G N 0.574 109.400 108.800 0.044 0.000 2.509 79 G HA2 -0.183 3.778 3.960 0.001 0.000 0.218 79 G HA3 -0.183 3.778 3.960 0.001 0.000 0.218 79 G C 1.247 176.167 174.900 0.032 0.000 1.124 79 G CA 0.389 45.510 45.100 0.035 0.000 0.776 79 G HN 0.303 nan 8.290 nan 0.000 0.547 80 N N 0.741 119.463 118.700 0.036 0.000 2.398 80 N HA 0.188 4.929 4.740 0.001 0.000 0.188 80 N C 0.954 176.484 175.510 0.033 0.000 1.122 80 N CA 0.251 53.321 53.050 0.034 0.000 0.866 80 N CB 0.342 38.851 38.487 0.037 0.000 0.970 80 N HN 0.304 nan 8.380 nan 0.000 0.462 81 A N 0.288 123.129 122.820 0.035 0.000 2.425 81 A HA 0.293 4.614 4.320 0.001 0.000 0.249 81 A C 1.306 178.906 177.584 0.026 0.000 1.084 81 A CA 0.151 52.209 52.037 0.035 0.000 0.781 81 A CB 0.250 19.273 19.000 0.038 0.000 1.019 81 A HN 0.317 nan 8.150 nan 0.000 0.490 82 T N -1.253 113.315 114.554 0.023 0.000 2.975 82 T HA 0.261 4.612 4.350 0.001 0.000 0.257 82 T C 1.231 175.938 174.700 0.011 0.000 1.003 82 T CA 0.200 62.309 62.100 0.016 0.000 0.932 82 T CB 0.102 68.978 68.868 0.013 0.000 1.087 82 T HN 0.706 nan 8.240 nan 0.000 0.512 83 R N 0.698 121.206 120.500 0.014 0.000 2.840 83 R HA 0.252 4.593 4.340 0.001 0.000 0.173 83 R C -0.044 176.262 176.300 0.010 0.000 0.791 83 R CA 0.823 56.927 56.100 0.007 0.000 1.069 83 R CB 0.818 31.118 30.300 -0.000 0.000 1.537 83 R HN 0.473 nan 8.270 nan 0.000 0.609 84 T N -1.024 113.544 114.554 0.024 0.000 2.916 84 T HA 0.644 4.995 4.350 0.001 0.000 0.305 84 T C -0.750 173.978 174.700 0.047 0.000 1.119 84 T CA -0.685 61.433 62.100 0.030 0.000 1.008 84 T CB 2.590 71.483 68.868 0.041 0.000 1.129 84 T HN -0.149 nan 8.240 nan 0.000 0.480 85 V N 2.074 122.015 119.914 0.045 0.000 2.483 85 V HA 0.603 4.724 4.120 0.001 0.000 0.297 85 V C -1.163 174.973 176.094 0.070 0.000 1.027 85 V CA -0.607 61.731 62.300 0.064 0.000 0.855 85 V CB 1.764 33.627 31.823 0.067 0.000 0.995 85 V HN 1.038 nan 8.190 nan 0.000 0.424 86 D N 4.447 124.900 120.400 0.088 0.000 2.469 86 D HA 0.589 5.230 4.640 0.001 0.000 0.251 86 D C -0.922 175.460 176.300 0.136 0.000 1.173 86 D CA -0.063 54.001 54.000 0.106 0.000 0.882 86 D CB 1.416 42.270 40.800 0.090 0.000 1.129 86 D HN 0.410 nan 8.370 nan 0.000 0.549 87 I N 1.941 122.622 120.570 0.186 0.000 2.465 87 I HA 0.361 4.531 4.170 0.001 0.000 0.291 87 I C 0.027 176.266 176.117 0.205 0.000 1.014 87 I CA -0.688 60.717 61.300 0.174 0.000 1.093 87 I CB 1.995 40.101 38.000 0.176 0.000 1.267 87 I HN 0.253 nan 8.210 nan 0.000 0.431 88 S N 3.206 118.987 115.700 0.135 0.000 2.542 88 S HA 0.875 5.345 4.470 0.001 0.000 0.293 88 S C -0.598 174.023 174.600 0.034 0.000 1.089 88 S CA -0.603 57.658 58.200 0.101 0.000 0.961 88 S CB 2.551 65.814 63.200 0.105 0.000 1.062 88 S HN 0.698 nan 8.310 nan 0.000 0.483 89 T N 0.426 114.970 114.554 -0.017 0.000 2.661 89 T HA 0.518 4.868 4.350 0.001 0.000 0.305 89 T C -2.196 172.456 174.700 -0.079 0.000 1.441 89 T CA -0.592 61.468 62.100 -0.067 0.000 0.999 89 T CB 1.063 69.860 68.868 -0.118 0.000 1.650 89 T HN 0.815 nan 8.240 nan 0.000 0.489 90 L N 2.624 123.803 121.223 -0.073 0.000 2.289 90 L HA 0.869 5.210 4.340 0.001 0.000 0.285 90 L C 0.453 177.393 176.870 0.117 0.000 1.049 90 L CA -0.219 54.612 54.840 -0.014 0.000 0.804 90 L CB 0.612 42.666 42.059 -0.007 0.000 1.195 90 L HN 0.834 nan 8.230 nan 0.000 0.428 91 A N 6.345 129.155 122.820 -0.016 0.000 2.520 91 A HA 0.464 4.785 4.320 0.001 0.000 0.235 91 A C -2.273 175.348 177.584 0.063 0.000 1.065 91 A CA -0.713 51.270 52.037 -0.089 0.000 0.764 91 A CB -0.948 17.918 19.000 -0.223 0.000 1.002 91 A HN 0.690 nan 8.150 nan 0.000 0.502 92 P HA 0.249 nan 4.420 nan 0.000 0.272 92 P C -0.329 176.993 177.300 0.036 0.000 1.230 92 P CA -0.163 62.892 63.100 -0.075 0.000 0.788 92 P CB 0.218 31.831 31.700 -0.144 0.000 0.949 93 F N 1.477 121.385 119.950 -0.069 0.000 2.589 93 F HA 0.072 4.600 4.527 0.002 0.000 0.352 93 F C -1.280 174.494 175.800 -0.044 0.000 1.168 93 F CA -0.755 57.109 58.000 -0.227 0.000 1.353 93 F CB -0.985 37.611 39.000 -0.673 0.000 1.116 93 F HN 0.246 nan 8.300 nan 0.000 0.608 94 P HA 0.012 nan 4.420 nan 0.000 0.264 94 P C -1.053 176.461 177.300 0.357 0.000 1.183 94 P CA 0.225 63.475 63.100 0.251 0.000 0.763 94 P CB 0.396 32.255 31.700 0.266 0.000 0.807 95 N N 0.981 119.892 118.700 0.352 0.000 3.102 95 N HA 0.568 5.309 4.740 0.001 0.000 0.299 95 N C 0.497 176.194 175.510 0.312 0.000 1.482 95 N CA -0.188 53.045 53.050 0.306 0.000 0.785 95 N CB 0.017 38.648 38.487 0.240 0.000 1.680 95 N HN 0.548 nan 8.380 nan 0.000 0.594 96 G N 0.024 108.944 108.800 0.200 0.000 2.614 96 G HA2 -0.208 3.753 3.960 0.001 0.000 0.303 96 G HA3 -0.208 3.753 3.960 0.001 0.000 0.303 96 G C 0.875 175.829 174.900 0.090 0.000 1.270 96 G CA 2.050 47.228 45.100 0.130 0.000 0.988 96 G HN 1.485 nan 8.290 nan 0.000 0.551 97 A N -1.073 121.734 122.820 -0.022 0.000 2.119 97 A HA 0.441 4.762 4.320 0.001 0.000 0.217 97 A C 2.156 179.682 177.584 -0.096 0.000 1.153 97 A CA 1.951 53.929 52.037 -0.098 0.000 0.692 97 A CB -0.360 18.525 19.000 -0.190 0.000 0.799 97 A HN 0.649 nan 8.150 nan 0.000 0.458 98 F N -0.472 119.512 119.950 0.058 0.000 2.113 98 F HA -0.184 4.343 4.527 0.001 0.000 0.297 98 F C 2.618 178.471 175.800 0.088 0.000 1.103 98 F CA 1.645 59.681 58.000 0.060 0.000 1.248 98 F CB -0.376 38.659 39.000 0.059 0.000 0.999 98 F HN 0.277 nan 8.300 nan 0.000 0.475 99 Q N 0.875 120.862 119.800 0.312 0.000 2.084 99 Q HA -0.197 4.144 4.340 0.001 0.000 0.202 99 Q C 1.533 177.617 176.000 0.140 0.000 0.978 99 Q CA 2.040 57.984 55.803 0.235 0.000 0.844 99 Q CB -0.435 28.439 28.738 0.227 0.000 0.898 99 Q HN 0.262 nan 8.270 nan 0.000 0.426 100 D N -0.337 120.121 120.400 0.097 0.000 2.144 100 D HA -0.128 4.513 4.640 0.001 0.000 0.199 100 D C 1.582 177.912 176.300 0.050 0.000 0.984 100 D CA 1.457 55.487 54.000 0.051 0.000 0.834 100 D CB -0.357 40.454 40.800 0.020 0.000 0.955 100 D HN 0.429 nan 8.370 nan 0.000 0.465 101 A N 0.519 123.376 122.820 0.062 0.000 1.930 101 A HA -0.085 4.236 4.320 0.001 0.000 0.217 101 A C 2.352 179.985 177.584 0.081 0.000 1.175 101 A CA 0.668 52.741 52.037 0.061 0.000 0.627 101 A CB -0.575 18.464 19.000 0.066 0.000 0.815 101 A HN 0.172 nan 8.150 nan 0.000 0.443 102 I N -0.507 120.131 120.570 0.113 0.000 2.179 102 I HA -0.211 3.959 4.170 0.001 0.000 0.242 102 I C 2.350 178.511 176.117 0.074 0.000 1.088 102 I CA 1.149 62.516 61.300 0.112 0.000 1.357 102 I CB -0.391 37.704 38.000 0.160 0.000 1.051 102 I HN 0.142 nan 8.210 nan 0.000 0.409 103 V N 1.101 121.051 119.914 0.059 0.000 2.295 103 V HA -0.307 3.814 4.120 0.001 0.000 0.246 103 V C 2.730 178.839 176.094 0.024 0.000 1.049 103 V CA 2.075 64.392 62.300 0.028 0.000 1.024 103 V CB -1.029 30.801 31.823 0.013 0.000 0.648 103 V HN 0.504 nan 8.190 nan 0.000 0.447 104 A N 0.418 123.255 122.820 0.028 0.000 1.902 104 A HA -0.096 4.225 4.320 0.001 0.000 0.217 104 A C 2.411 180.011 177.584 0.026 0.000 1.181 104 A CA 1.969 54.020 52.037 0.022 0.000 0.623 104 A CB -1.197 17.816 19.000 0.020 0.000 0.818 104 A HN 0.536 nan 8.150 nan 0.000 0.443 105 G N -0.305 108.517 108.800 0.037 0.000 2.402 105 G HA2 -0.134 3.826 3.960 0.001 0.000 0.216 105 G HA3 -0.134 3.826 3.960 0.001 0.000 0.216 105 G C 1.545 176.465 174.900 0.034 0.000 1.162 105 G CA 0.970 46.094 45.100 0.039 0.000 0.777 105 G HN 0.427 nan 8.290 nan 0.000 0.539 106 L N -0.132 121.111 121.223 0.034 0.000 2.093 106 L HA -0.028 4.313 4.340 0.001 0.000 0.208 106 L C 2.956 179.835 176.870 0.016 0.000 1.085 106 L CA 1.064 55.919 54.840 0.026 0.000 0.755 106 L CB -0.262 41.812 42.059 0.024 0.000 0.904 106 L HN 0.187 nan 8.230 nan 0.000 0.435 107 K N -0.104 120.303 120.400 0.013 0.000 2.057 107 K HA -0.241 4.080 4.320 0.001 0.000 0.207 107 K C 2.025 178.631 176.600 0.010 0.000 1.049 107 K CA 1.566 57.857 56.287 0.007 0.000 0.931 107 K CB -0.048 32.455 32.500 0.005 0.000 0.714 107 K HN 0.141 nan 8.250 nan 0.000 0.440 108 E N 1.029 121.238 120.200 0.014 0.000 2.072 108 E HA -0.159 4.192 4.350 0.001 0.000 0.191 108 E C 1.986 178.595 176.600 0.015 0.000 0.985 108 E CA 1.713 58.122 56.400 0.015 0.000 0.801 108 E CB -0.273 29.438 29.700 0.019 0.000 0.750 108 E HN 0.089 nan 8.360 nan 0.000 0.452 109 S N -0.775 114.935 115.700 0.018 0.000 2.382 109 S HA -0.092 4.379 4.470 0.001 0.000 0.228 109 S C 2.036 176.643 174.600 0.012 0.000 1.027 109 S CA 1.366 59.577 58.200 0.017 0.000 0.991 109 S CB -0.562 62.651 63.200 0.021 0.000 0.823 109 S HN 0.458 nan 8.310 nan 0.000 0.469 110 A N 1.219 124.044 122.820 0.009 0.000 1.930 110 A HA 0.253 4.574 4.320 0.001 0.000 0.217 110 A C 2.442 180.028 177.584 0.004 0.000 1.175 110 A CA 1.707 53.747 52.037 0.005 0.000 0.627 110 A CB -1.293 17.708 19.000 0.002 0.000 0.815 110 A HN 0.765 nan 8.150 nan 0.000 0.443 111 A N -0.398 122.425 122.820 0.005 0.000 1.972 111 A HA -0.099 4.222 4.320 0.001 0.000 0.219 111 A C 1.845 179.433 177.584 0.005 0.000 1.169 111 A CA 1.542 53.581 52.037 0.005 0.000 0.635 111 A CB -0.254 18.749 19.000 0.005 0.000 0.810 111 A HN 0.306 nan 8.150 nan 0.000 0.446 112 K N -1.034 119.371 120.400 0.007 0.000 2.525 112 K HA 0.088 4.409 4.320 0.001 0.000 0.192 112 K C 1.127 177.731 176.600 0.006 0.000 1.029 112 K CA 0.777 57.068 56.287 0.008 0.000 1.029 112 K CB -0.361 32.145 32.500 0.010 0.000 0.814 112 K HN 0.847 nan 8.250 nan 0.000 0.503 113 G N 1.523 110.326 108.800 0.005 0.000 2.144 113 G HA2 -0.193 3.768 3.960 0.001 0.000 0.218 113 G HA3 -0.193 3.768 3.960 0.001 0.000 0.218 113 G C -0.190 174.712 174.900 0.003 0.000 0.988 113 G CA -0.475 44.627 45.100 0.003 0.000 0.659 113 G HN 0.263 nan 8.290 nan 0.000 0.522 114 N N 0.600 119.303 118.700 0.004 0.000 2.509 114 N HA 0.519 5.260 4.740 0.001 0.000 0.287 114 N C -0.408 175.104 175.510 0.002 0.000 1.121 114 N CA 0.076 53.128 53.050 0.004 0.000 0.977 114 N CB 1.467 39.959 38.487 0.008 0.000 1.167 114 N HN 0.136 nan 8.380 nan 0.000 0.476 115 S N 1.597 117.297 115.700 0.001 0.000 2.433 115 S HA 0.489 4.959 4.470 0.001 0.000 0.310 115 S C 0.092 174.691 174.600 -0.002 0.000 1.097 115 S CA -0.704 57.495 58.200 -0.002 0.000 1.103 115 S CB 0.624 63.821 63.200 -0.004 0.000 0.992 115 S HN 0.274 nan 8.310 nan 0.000 0.469 116 L N 2.978 124.200 121.223 -0.001 0.000 2.330 116 L HA 0.570 4.911 4.340 0.001 0.000 0.271 116 L C -0.062 176.804 176.870 -0.007 0.000 1.013 116 L CA -0.940 53.900 54.840 -0.000 0.000 0.816 116 L CB 1.476 43.539 42.059 0.007 0.000 1.287 116 L HN 0.378 nan 8.230 nan 0.000 0.435 117 K N 1.564 121.957 120.400 -0.012 0.000 2.159 117 K HA 0.682 5.002 4.320 0.001 0.000 0.266 117 K C -1.300 175.286 176.600 -0.023 0.000 0.975 117 K CA -0.647 55.624 56.287 -0.026 0.000 0.865 117 K CB 2.367 34.843 32.500 -0.040 0.000 1.087 117 K HN 0.215 nan 8.250 nan 0.000 0.446 118 V N 3.413 123.308 119.914 -0.032 0.000 2.623 118 V HA 0.396 4.517 4.120 0.001 0.000 0.304 118 V C -0.630 175.438 176.094 -0.044 0.000 1.054 118 V CA -0.961 61.335 62.300 -0.008 0.000 0.882 118 V CB 1.787 33.626 31.823 0.025 0.000 1.002 118 V HN 0.716 nan 8.190 nan 0.000 0.424 119 R N 4.789 125.262 120.500 -0.045 0.000 2.494 119 R HA 0.772 5.113 4.340 0.001 0.000 0.305 119 R C -1.299 175.150 176.300 0.248 0.000 0.959 119 R CA -0.652 55.409 56.100 -0.065 0.000 0.864 119 R CB 2.414 32.434 30.300 -0.466 0.000 1.159 119 R HN 0.609 nan 8.270 nan 0.000 0.446 120 I N 4.199 125.035 120.570 0.445 0.000 2.468 120 I HA 0.240 4.411 4.170 0.001 0.000 0.284 120 I C -1.198 175.291 176.117 0.620 0.000 1.038 120 I CA -0.852 60.741 61.300 0.489 0.000 1.083 120 I CB 1.763 40.033 38.000 0.450 0.000 1.223 120 I HN 0.265 nan 8.210 nan 0.000 0.443 121 L N 8.954 130.449 121.223 0.453 0.000 2.322 121 L HA 0.752 5.092 4.340 0.001 0.000 0.281 121 L C -0.522 176.331 176.870 -0.029 0.000 1.014 121 L CA -0.520 54.419 54.840 0.165 0.000 0.815 121 L CB 1.815 43.817 42.059 -0.094 0.000 1.247 121 L HN 0.408 nan 8.230 nan 0.000 0.421 122 V N 1.731 121.541 119.914 -0.174 0.000 2.769 122 V HA 0.997 5.118 4.120 0.001 0.000 0.312 122 V C 0.155 176.153 176.094 -0.159 0.000 1.061 122 V CA -0.240 61.881 62.300 -0.298 0.000 0.931 122 V CB 1.334 32.713 31.823 -0.740 0.000 1.010 122 V HN 0.889 nan 8.190 nan 0.000 0.433 123 G N 1.652 110.413 108.800 -0.064 0.000 2.400 123 G HA2 0.837 4.798 3.960 0.001 0.000 0.301 123 G HA3 0.837 4.798 3.960 0.001 0.000 0.301 123 G C -0.383 174.415 174.900 -0.170 0.000 1.154 123 G CA -0.120 45.017 45.100 0.061 0.000 0.852 123 G HN 1.797 nan 8.290 nan 0.000 0.511 124 A N 0.354 122.857 122.820 -0.529 0.000 2.606 124 A HA 0.869 5.190 4.320 0.001 0.000 0.293 124 A C 0.113 176.806 177.584 -1.484 0.000 1.082 124 A CA -0.091 51.453 52.037 -0.822 0.000 0.685 124 A CB 1.010 19.768 19.000 -0.403 0.000 1.284 124 A HN 2.081 nan 8.150 nan 0.000 0.408 125 A N 2.076 124.049 122.820 -1.411 0.000 2.483 125 A HA 0.583 4.904 4.320 0.001 0.000 0.238 125 A C -1.625 175.640 177.584 -0.531 0.000 1.070 125 A CA -0.513 50.794 52.037 -1.218 0.000 0.770 125 A CB -0.747 17.936 19.000 -0.529 0.000 1.008 125 A HN 0.665 nan 8.150 nan 0.000 0.497 130 M N 2.784 122.396 119.600 0.020 0.000 2.694 130 M HA -0.070 4.411 4.480 0.001 0.000 0.421 130 M C -0.127 175.867 176.300 -0.509 0.000 1.751 130 M CA 0.868 56.100 55.300 -0.113 0.000 1.081 130 M CB -0.386 32.207 32.600 -0.012 0.000 2.117 130 M HN 0.736 nan 8.290 nan 0.000 0.489 131 N N 3.784 121.686 118.700 -1.331 0.000 2.426 131 N HA 0.353 5.094 4.740 0.001 0.000 0.257 131 N C 0.515 175.647 175.510 -0.630 0.000 1.002 131 N CA -0.018 52.348 53.050 -1.141 0.000 0.942 131 N CB 1.451 38.785 38.487 -1.921 0.000 1.112 131 N HN 0.674 nan 8.380 nan 0.000 0.499 132 G N 2.945 111.548 108.800 -0.327 0.000 3.088 132 G HA2 0.057 4.017 3.960 0.001 0.000 0.217 132 G HA3 0.057 4.017 3.960 0.001 0.000 0.217 132 G C 1.338 176.175 174.900 -0.105 0.000 1.159 132 G CA -0.056 44.949 45.100 -0.159 0.000 0.760 132 G HN 0.659 nan 8.290 nan 0.000 0.550 133 I N 1.258 121.758 120.570 -0.116 0.000 2.179 133 I HA -0.086 4.084 4.170 0.001 0.000 0.242 133 I C -0.184 175.938 176.117 0.008 0.000 1.088 133 I CA 0.949 62.244 61.300 -0.009 0.000 1.357 133 I CB -0.812 37.221 38.000 0.054 0.000 1.051 133 I HN 0.063 nan 8.210 nan 0.000 0.409 134 P HA -0.152 nan 4.420 nan 0.000 0.215 134 P C 1.851 179.110 177.300 -0.068 0.000 1.157 134 P CA 1.983 65.085 63.100 0.004 0.000 0.868 134 P CB -0.101 31.721 31.700 0.203 0.000 0.788 135 S N -0.472 115.215 115.700 -0.021 0.000 2.402 135 S HA -0.150 4.321 4.470 0.001 0.000 0.229 135 S C 2.028 176.587 174.600 -0.068 0.000 1.021 135 S CA 1.035 59.209 58.200 -0.044 0.000 0.974 135 S CB -0.966 62.228 63.200 -0.010 0.000 0.800 135 S HN 0.081 nan 8.310 nan 0.000 0.484 136 K N 0.158 120.521 120.400 -0.061 0.000 2.057 136 K HA -0.168 4.152 4.320 0.001 0.000 0.207 136 K C 2.123 178.671 176.600 -0.086 0.000 1.049 136 K CA 1.464 57.715 56.287 -0.061 0.000 0.931 136 K CB -0.392 32.085 32.500 -0.038 0.000 0.714 136 K HN 0.497 nan 8.250 nan 0.000 0.440 137 Y N 1.526 121.664 120.300 -0.270 0.000 2.200 137 Y HA -0.201 4.350 4.550 0.002 0.000 0.290 137 Y C 2.428 178.167 175.900 -0.269 0.000 1.137 137 Y CA 1.848 59.734 58.100 -0.357 0.000 1.163 137 Y CB -0.187 37.770 38.460 -0.839 0.000 0.988 137 Y HN 0.006 nan 8.280 nan 0.000 0.518 138 R N 0.307 120.672 120.500 -0.224 0.000 2.096 138 R HA -0.198 4.143 4.340 0.001 0.000 0.240 138 R C 1.524 177.693 176.300 -0.219 0.000 1.139 138 R CA 2.309 58.281 56.100 -0.213 0.000 0.952 138 R CB -0.474 29.748 30.300 -0.129 0.000 0.854 138 R HN 0.365 nan 8.270 nan 0.000 0.436 139 D N 0.134 120.434 120.400 -0.167 0.000 2.183 139 D HA -0.083 4.558 4.640 0.001 0.000 0.203 139 D C 1.767 177.976 176.300 -0.151 0.000 0.969 139 D CA 1.078 54.999 54.000 -0.132 0.000 0.842 139 D CB 0.002 40.748 40.800 -0.090 0.000 0.957 139 D HN 0.289 nan 8.370 nan 0.000 0.484 140 K N 0.196 120.482 120.400 -0.190 0.000 2.057 140 K HA -0.091 4.230 4.320 0.001 0.000 0.206 140 K C 1.980 178.444 176.600 -0.226 0.000 1.050 140 K CA 0.382 56.561 56.287 -0.180 0.000 0.935 140 K CB -0.114 32.292 32.500 -0.158 0.000 0.715 140 K HN 0.005 nan 8.250 nan 0.000 0.439 141 L N 1.092 122.092 121.223 -0.371 0.000 2.046 141 L HA -0.159 4.182 4.340 0.001 0.000 0.208 141 L C 1.893 178.651 176.870 -0.186 0.000 1.077 141 L CA 1.962 56.603 54.840 -0.332 0.000 0.747 141 L CB -0.800 40.953 42.059 -0.510 0.000 0.896 141 L HN 0.103 nan 8.230 nan 0.000 0.432 142 T N -0.022 114.431 114.554 -0.169 0.000 2.746 142 T HA -0.131 4.220 4.350 0.001 0.000 0.267 142 T C 1.912 176.562 174.700 -0.084 0.000 1.039 142 T CA 1.306 63.342 62.100 -0.106 0.000 1.142 142 T CB -0.537 68.276 68.868 -0.092 0.000 0.866 142 T HN 0.531 nan 8.240 nan 0.000 0.444 143 A N 1.642 124.409 122.820 -0.088 0.000 1.933 143 A HA -0.106 4.214 4.320 0.001 0.000 0.218 143 A C 2.256 179.805 177.584 -0.057 0.000 1.175 143 A CA 1.504 53.502 52.037 -0.065 0.000 0.628 143 A CB -0.392 18.570 19.000 -0.063 0.000 0.814 143 A HN 0.440 nan 8.150 nan 0.000 0.444 144 K N -0.535 119.823 120.400 -0.069 0.000 2.155 144 K HA 0.078 4.399 4.320 0.001 0.000 0.203 144 K C 1.706 178.281 176.600 -0.041 0.000 1.052 144 K CA 0.972 57.228 56.287 -0.052 0.000 0.948 144 K CB -0.258 32.207 32.500 -0.057 0.000 0.728 144 K HN 0.455 nan 8.250 nan 0.000 0.448 145 L N 0.083 121.277 121.223 -0.049 0.000 2.217 145 L HA -0.063 4.278 4.340 0.001 0.000 0.211 145 L C 1.530 178.383 176.870 -0.028 0.000 1.107 145 L CA 0.686 55.505 54.840 -0.035 0.000 0.783 145 L CB -0.902 41.134 42.059 -0.038 0.000 0.919 145 L HN 0.417 nan 8.230 nan 0.000 0.442 146 G N 0.718 109.499 108.800 -0.032 0.000 2.611 146 G HA2 -0.483 3.478 3.960 0.001 0.000 0.301 146 G HA3 -0.483 3.478 3.960 0.001 0.000 0.301 146 G C 0.874 175.760 174.900 -0.022 0.000 1.233 146 G CA 0.749 45.834 45.100 -0.026 0.000 0.993 146 G HN 0.299 nan 8.290 nan 0.000 0.553 147 K N 0.992 121.382 120.400 -0.017 0.000 2.209 147 K HA 0.147 4.468 4.320 0.001 0.000 0.204 147 K C 2.840 179.432 176.600 -0.013 0.000 1.048 147 K CA 1.962 58.241 56.287 -0.014 0.000 0.940 147 K CB -0.512 31.982 32.500 -0.011 0.000 0.729 147 K HN 0.856 nan 8.250 nan 0.000 0.451 148 A N 0.773 123.585 122.820 -0.013 0.000 2.070 148 A HA -0.044 4.277 4.320 0.001 0.000 0.220 148 A C 2.157 179.733 177.584 -0.014 0.000 1.159 148 A CA 1.498 53.529 52.037 -0.011 0.000 0.656 148 A CB -0.512 18.483 19.000 -0.009 0.000 0.800 148 A HN 0.449 nan 8.150 nan 0.000 0.453 149 A N 0.638 123.446 122.820 -0.020 0.000 2.168 149 A HA -0.071 4.250 4.320 0.001 0.000 0.215 149 A C 1.877 179.449 177.584 -0.020 0.000 1.152 149 A CA 1.282 53.304 52.037 -0.024 0.000 0.716 149 A CB -0.505 18.474 19.000 -0.035 0.000 0.794 149 A HN 0.813 nan 8.150 nan 0.000 0.465 150 E N -0.197 119.993 120.200 -0.016 0.000 2.153 150 E HA -0.170 4.181 4.350 0.001 0.000 0.194 150 E C 0.290 176.883 176.600 -0.011 0.000 0.988 150 E CA 1.255 57.646 56.400 -0.014 0.000 0.811 150 E CB -0.262 29.431 29.700 -0.011 0.000 0.746 150 E HN 0.430 nan 8.360 nan 0.000 0.466 151 N N 0.536 119.231 118.700 -0.010 0.000 2.328 151 N HA 0.282 5.023 4.740 0.001 0.000 0.247 151 N C -0.767 174.738 175.510 -0.008 0.000 1.165 151 N CA 0.002 53.048 53.050 -0.008 0.000 0.873 151 N CB 0.789 39.272 38.487 -0.006 0.000 1.125 151 N HN 0.214 nan 8.380 nan 0.000 0.513 152 I N 0.740 121.304 120.570 -0.011 0.000 2.377 152 I HA 0.183 4.354 4.170 0.001 0.000 0.293 152 I C -0.003 176.105 176.117 -0.015 0.000 0.987 152 I CA -0.300 60.993 61.300 -0.012 0.000 1.185 152 I CB 1.586 39.579 38.000 -0.012 0.000 1.341 152 I HN -0.208 nan 8.210 nan 0.000 0.455 153 T N 7.413 121.958 114.554 -0.016 0.000 2.781 153 T HA 0.401 4.752 4.350 0.001 0.000 0.305 153 T C -0.463 174.222 174.700 -0.026 0.000 1.001 153 T CA -0.279 61.810 62.100 -0.018 0.000 0.950 153 T CB 0.489 69.346 68.868 -0.017 0.000 0.955 153 T HN 0.165 nan 8.240 nan 0.000 0.471 154 L N 4.721 125.927 121.223 -0.029 0.000 2.329 154 L HA 0.549 4.890 4.340 0.001 0.000 0.279 154 L C -0.536 176.303 176.870 -0.051 0.000 1.014 154 L CA -0.374 54.445 54.840 -0.033 0.000 0.814 154 L CB 1.245 43.283 42.059 -0.035 0.000 1.257 154 L HN 0.523 nan 8.230 nan 0.000 0.424 155 N N 3.505 122.176 118.700 -0.049 0.000 2.314 155 N HA 0.685 5.425 4.740 0.001 0.000 0.294 155 N C -1.649 173.932 175.510 0.118 0.000 1.029 155 N CA -0.700 52.324 53.050 -0.043 0.000 0.845 155 N CB 2.438 40.886 38.487 -0.066 0.000 1.321 155 N HN 0.307 nan 8.380 nan 0.000 0.481 156 V N 1.231 121.207 119.914 0.104 0.000 2.656 156 V HA 0.888 5.008 4.120 0.001 0.000 0.307 156 V C -0.602 175.732 176.094 0.400 0.000 1.051 156 V CA -0.577 61.910 62.300 0.312 0.000 0.893 156 V CB 1.430 33.336 31.823 0.137 0.000 0.999 156 V HN 0.819 nan 8.190 nan 0.000 0.426 157 A N 2.860 126.020 122.820 0.566 0.000 2.594 157 A HA 0.848 5.169 4.320 0.001 0.000 0.295 157 A C -0.738 177.043 177.584 0.329 0.000 1.071 157 A CA -0.518 51.787 52.037 0.448 0.000 0.685 157 A CB 2.084 21.306 19.000 0.369 0.000 1.285 157 A HN 0.624 nan 8.150 nan 0.000 0.405 158 S N 0.656 116.537 115.700 0.301 0.000 2.451 158 S HA 0.706 5.177 4.470 0.001 0.000 0.301 158 S C -0.344 174.352 174.600 0.159 0.000 1.116 158 S CA -0.362 57.933 58.200 0.159 0.000 1.093 158 S CB 0.869 64.188 63.200 0.198 0.000 1.017 158 S HN 0.968 nan 8.310 nan 0.000 0.482 159 M N 1.232 120.885 119.600 0.089 0.000 2.501 159 M HA 0.740 5.220 4.480 0.001 0.000 0.293 159 M C -1.042 175.355 176.300 0.161 0.000 1.192 159 M CA -0.342 55.064 55.300 0.176 0.000 0.886 159 M CB 1.649 34.378 32.600 0.215 0.000 1.710 159 M HN 0.242 nan 8.290 nan 0.000 0.457 160 T N 1.008 115.704 114.554 0.238 0.000 2.881 160 T HA 0.523 4.873 4.350 0.001 0.000 0.291 160 T C 0.654 175.515 174.700 0.269 0.000 0.990 160 T CA -0.190 62.063 62.100 0.256 0.000 0.976 160 T CB 1.448 70.413 68.868 0.162 0.000 0.970 160 T HN 0.919 nan 8.240 nan 0.000 0.438 161 T N -1.119 113.514 114.554 0.132 0.000 3.023 161 T HA 0.295 4.646 4.350 0.001 0.000 0.249 161 T C 0.816 175.560 174.700 0.074 0.000 1.050 161 T CA -0.078 61.966 62.100 -0.093 0.000 1.088 161 T CB 0.348 68.919 68.868 -0.494 0.000 0.946 161 T HN 0.476 nan 8.240 nan 0.000 0.480 162 S N 0.238 116.026 115.700 0.147 0.000 2.706 162 S HA 0.396 4.867 4.470 0.001 0.000 0.270 162 S C 0.400 175.093 174.600 0.156 0.000 1.163 162 S CA -0.817 57.461 58.200 0.129 0.000 1.042 162 S CB 1.760 65.014 63.200 0.090 0.000 1.079 162 S HN 0.363 nan 8.310 nan 0.000 0.474 163 K N 2.521 122.988 120.400 0.111 0.000 2.026 163 K HA -0.109 4.212 4.320 0.001 0.000 0.208 163 K C 1.853 178.343 176.600 -0.183 0.000 1.048 163 K CA 2.427 58.737 56.287 0.038 0.000 0.929 163 K CB -0.544 31.965 32.500 0.016 0.000 0.713 163 K HN 0.779 nan 8.250 nan 0.000 0.439 164 T N -1.883 112.610 114.554 -0.102 0.000 2.915 164 T HA 0.024 4.374 4.350 0.001 0.000 0.269 164 T C 1.729 176.429 174.700 0.000 0.000 1.071 164 T CA 0.874 62.912 62.100 -0.104 0.000 1.132 164 T CB -0.104 68.764 68.868 0.001 0.000 0.878 164 T HN 0.236 nan 8.240 nan 0.000 0.479 165 A N -0.021 122.859 122.820 0.100 0.000 2.345 165 A HA 0.580 4.901 4.320 0.001 0.000 0.225 165 A C 0.618 178.435 177.584 0.389 0.000 1.243 165 A CA -0.689 51.569 52.037 0.368 0.000 0.875 165 A CB -0.984 18.206 19.000 0.317 0.000 0.929 165 A HN 0.460 nan 8.150 nan 0.000 0.502 166 F N -0.564 119.436 119.950 0.083 0.000 3.091 166 F HA -0.179 4.350 4.527 0.002 0.000 0.288 166 F C 0.754 176.170 175.800 -0.639 0.000 0.907 166 F CA 0.894 58.748 58.000 -0.242 0.000 1.028 166 F CB -2.044 36.800 39.000 -0.261 0.000 1.022 166 F HN 0.204 nan 8.300 nan 0.000 0.665 167 S N 0.500 116.135 115.700 -0.109 0.000 2.429 167 S HA 0.707 5.178 4.470 0.001 0.000 0.302 167 S C -0.573 174.133 174.600 0.177 0.000 1.115 167 S CA -0.150 58.013 58.200 -0.063 0.000 1.095 167 S CB 0.744 63.993 63.200 0.081 0.000 0.987 167 S HN 0.431 nan 8.310 nan 0.000 0.474 168 W N 2.776 124.173 121.300 0.162 0.000 2.926 168 W HA 0.462 5.124 4.660 0.002 0.000 0.361 168 W C -1.149 175.490 176.519 0.201 0.000 1.195 168 W CA -1.075 56.338 57.345 0.115 0.000 1.177 168 W CB -0.131 29.397 29.460 0.115 0.000 1.453 168 W HN 0.504 nan 8.180 nan 0.000 0.571 169 N N 0.520 119.442 118.700 0.370 0.000 2.468 169 N HA 0.119 4.859 4.740 0.001 0.000 0.265 169 N C 0.244 175.936 175.510 0.303 0.000 1.199 169 N CA 0.500 53.704 53.050 0.258 0.000 0.928 169 N CB 0.363 38.916 38.487 0.112 0.000 1.059 169 N HN 0.640 nan 8.380 nan 0.000 0.467 170 H N 0.243 119.389 119.070 0.127 0.000 2.893 170 H HA 0.100 4.657 4.556 0.002 0.000 0.270 170 H C 0.173 175.555 175.328 0.091 0.000 1.095 170 H CA -0.216 55.900 56.048 0.113 0.000 1.186 170 H CB 0.432 30.235 29.762 0.068 0.000 1.562 170 H HN 0.618 nan 8.280 nan 0.000 0.536 171 S N 1.561 117.393 115.700 0.220 0.000 2.568 171 S HA 0.126 4.597 4.470 0.001 0.000 0.282 171 S C 0.073 174.740 174.600 0.110 0.000 1.338 171 S CA -0.329 57.980 58.200 0.181 0.000 1.045 171 S CB 1.141 64.492 63.200 0.252 0.000 0.873 171 S HN 0.222 nan 8.310 nan 0.000 0.516 172 K N 2.174 122.625 120.400 0.085 0.000 2.575 172 K HA 0.558 4.879 4.320 0.001 0.000 0.236 172 K C -1.106 175.527 176.600 0.054 0.000 0.976 172 K CA 0.060 56.365 56.287 0.029 0.000 0.985 172 K CB 0.996 33.480 32.500 -0.027 0.000 1.198 172 K HN 0.627 nan 8.250 nan 0.000 0.464 173 I N 2.792 123.394 120.570 0.053 0.000 2.608 173 I HA 0.445 4.616 4.170 0.001 0.000 0.295 173 I C -1.366 174.792 176.117 0.068 0.000 1.049 173 I CA -1.422 59.909 61.300 0.052 0.000 1.063 173 I CB 1.944 39.926 38.000 -0.030 0.000 1.248 173 I HN 0.281 nan 8.210 nan 0.000 0.424 174 L N 7.535 128.809 121.223 0.085 0.000 2.415 174 L HA 0.602 4.942 4.340 0.001 0.000 0.268 174 L C -1.353 175.576 176.870 0.097 0.000 0.984 174 L CA -0.359 54.538 54.840 0.094 0.000 0.853 174 L CB 1.555 43.674 42.059 0.100 0.000 1.215 174 L HN 0.317 nan 8.230 nan 0.000 0.419 175 V N 5.457 125.422 119.914 0.086 0.000 2.417 175 V HA 0.644 4.765 4.120 0.001 0.000 0.291 175 V C -0.360 175.788 176.094 0.089 0.000 1.024 175 V CA -0.688 61.663 62.300 0.084 0.000 0.861 175 V CB 1.840 33.693 31.823 0.050 0.000 0.985 175 V HN 0.483 nan 8.190 nan 0.000 0.436 176 V N 3.575 123.543 119.914 0.091 0.000 2.448 176 V HA 0.462 4.583 4.120 0.001 0.000 0.295 176 V C 0.189 176.334 176.094 0.086 0.000 1.025 176 V CA -0.434 61.915 62.300 0.083 0.000 0.859 176 V CB 1.408 33.275 31.823 0.073 0.000 0.988 176 V HN 0.983 nan 8.190 nan 0.000 0.431 177 D N 3.767 124.217 120.400 0.084 0.000 3.039 177 D HA -0.212 4.429 4.640 0.001 0.000 0.222 177 D C 1.433 177.801 176.300 0.113 0.000 1.179 177 D CA 1.880 55.926 54.000 0.077 0.000 0.880 177 D CB -1.169 39.663 40.800 0.053 0.000 1.115 177 D HN 1.452 nan 8.370 nan 0.000 0.416 178 G N -0.486 108.424 108.800 0.183 0.000 2.180 178 G HA2 -0.425 3.535 3.960 0.001 0.000 0.263 178 G HA3 -0.425 3.535 3.960 0.001 0.000 0.263 178 G C 0.837 175.836 174.900 0.165 0.000 0.989 178 G CA 1.132 46.398 45.100 0.276 0.000 0.692 178 G HN 0.527 nan 8.290 nan 0.000 0.526 179 Q N -0.924 118.941 119.800 0.109 0.000 2.477 179 Q HA 0.233 4.574 4.340 0.001 0.000 0.252 179 Q C 1.321 177.359 176.000 0.064 0.000 0.869 179 Q CA 0.860 56.709 55.803 0.076 0.000 0.969 179 Q CB 0.713 29.485 28.738 0.058 0.000 1.144 179 Q HN 0.777 nan 8.270 nan 0.000 0.577 180 S N -0.278 115.467 115.700 0.074 0.000 2.532 180 S HA 0.838 5.309 4.470 0.001 0.000 0.301 180 S C -0.751 173.909 174.600 0.100 0.000 1.083 180 S CA -0.712 57.533 58.200 0.075 0.000 1.025 180 S CB 2.283 65.526 63.200 0.072 0.000 1.056 180 S HN 0.186 nan 8.310 nan 0.000 0.494 181 A N 1.824 124.715 122.820 0.119 0.000 2.427 181 A HA 0.747 5.067 4.320 0.001 0.000 0.298 181 A C -1.597 176.109 177.584 0.204 0.000 1.036 181 A CA -0.615 51.530 52.037 0.181 0.000 0.701 181 A CB 1.179 20.355 19.000 0.293 0.000 1.250 181 A HN 0.725 nan 8.150 nan 0.000 0.412 182 L N 1.443 122.781 121.223 0.192 0.000 2.325 182 L HA 0.836 5.177 4.340 0.001 0.000 0.281 182 L C 0.264 177.249 176.870 0.192 0.000 1.004 182 L CA 0.393 55.345 54.840 0.187 0.000 0.823 182 L CB 1.890 44.034 42.059 0.141 0.000 1.236 182 L HN 0.863 nan 8.230 nan 0.000 0.415 183 T N 1.673 116.358 114.554 0.217 0.000 2.821 183 T HA 0.886 5.237 4.350 0.001 0.000 0.306 183 T C -0.479 174.296 174.700 0.125 0.000 1.313 183 T CA 0.171 62.372 62.100 0.169 0.000 1.012 183 T CB 1.642 70.636 68.868 0.210 0.000 1.298 183 T HN 0.896 nan 8.240 nan 0.000 0.502 184 G N 0.641 109.486 108.800 0.076 0.000 2.441 184 G HA2 0.386 4.346 3.960 0.001 0.000 0.222 184 G HA3 0.386 4.346 3.960 0.001 0.000 0.222 184 G C 0.522 175.457 174.900 0.059 0.000 1.254 184 G CA 0.355 45.490 45.100 0.058 0.000 0.959 184 G HN 1.192 nan 8.290 nan 0.000 0.474 185 G N -0.522 108.330 108.800 0.087 0.000 2.986 185 G HA2 0.402 4.363 3.960 0.001 0.000 0.213 185 G HA3 0.402 4.363 3.960 0.001 0.000 0.213 185 G C 0.613 175.609 174.900 0.160 0.000 1.156 185 G CA 0.026 45.198 45.100 0.120 0.000 0.763 185 G HN 0.567 nan 8.290 nan 0.000 0.547 186 I N 2.572 123.138 120.570 -0.006 0.000 2.421 186 I HA 0.097 4.268 4.170 0.001 0.000 0.291 186 I C -0.284 175.508 176.117 -0.541 0.000 1.089 186 I CA -0.659 60.470 61.300 -0.285 0.000 1.354 186 I CB 0.428 38.242 38.000 -0.310 0.000 1.413 186 I HN -0.045 nan 8.210 nan 0.000 0.513 187 N N 4.086 122.326 118.700 -0.766 0.000 2.482 187 N HA 0.093 4.834 4.740 0.001 0.000 0.260 187 N C 0.009 174.710 175.510 -1.347 0.000 1.236 187 N CA -0.002 52.382 53.050 -1.110 0.000 0.938 187 N CB 1.178 38.496 38.487 -1.948 0.000 1.128 187 N HN 0.443 nan 8.380 nan 0.000 0.448 188 S N 1.410 116.426 115.700 -1.140 0.000 3.513 188 S HA 0.159 4.630 4.470 0.001 0.000 0.209 188 S C -0.763 173.551 174.600 -0.477 0.000 1.446 188 S CA -0.507 56.813 58.200 -1.465 0.000 1.150 188 S CB -0.374 62.383 63.200 -0.738 0.000 1.266 188 S HN 0.373 nan 8.310 nan 0.000 0.502 189 W N 2.944 124.058 121.300 -0.309 0.000 2.296 189 W HA 0.344 5.004 4.660 0.000 0.000 0.316 189 W C 1.134 177.902 176.519 0.414 0.000 1.022 189 W CA -2.302 55.132 57.345 0.149 0.000 1.324 189 W CB 0.203 29.772 29.460 0.182 0.000 1.227 189 W HN 0.417 nan 8.180 nan 0.000 0.409 190 K N 0.384 121.124 120.400 0.566 0.000 2.147 190 K HA -0.173 4.148 4.320 0.001 0.000 0.205 190 K C 0.621 177.377 176.600 0.261 0.000 1.049 190 K CA 1.625 58.158 56.287 0.411 0.000 0.936 190 K CB 0.163 32.811 32.500 0.247 0.000 0.722 190 K HN 0.089 nan 8.250 nan 0.000 0.446 191 D N 1.409 121.937 120.400 0.213 0.000 2.149 191 D HA -0.111 4.530 4.640 0.001 0.000 0.201 191 D C 1.255 177.581 176.300 0.044 0.000 0.972 191 D CA 1.080 55.130 54.000 0.083 0.000 0.835 191 D CB -0.115 40.714 40.800 0.047 0.000 0.966 191 D HN 0.310 nan 8.370 nan 0.000 0.476 192 D N -0.895 119.600 120.400 0.159 0.000 2.249 192 D HA -0.046 4.595 4.640 0.001 0.000 0.205 192 D C 1.491 177.667 176.300 -0.206 0.000 0.962 192 D CA 0.657 54.650 54.000 -0.011 0.000 0.860 192 D CB -0.010 40.852 40.800 0.104 0.000 0.955 192 D HN 0.319 nan 8.370 nan 0.000 0.505 193 Y N -0.625 119.730 120.300 0.091 0.000 2.558 193 Y HA 0.273 4.824 4.550 0.001 0.000 0.273 193 Y C 1.933 177.815 175.900 -0.030 0.000 1.100 193 Y CA 0.231 58.367 58.100 0.061 0.000 1.276 193 Y CB 0.642 39.255 38.460 0.255 0.000 1.196 193 Y HN -0.144 nan 8.280 nan 0.000 0.527 194 L N -1.533 119.757 121.223 0.112 0.000 2.777 194 L HA 0.184 4.525 4.340 0.001 0.000 0.172 194 L C 0.157 176.971 176.870 -0.094 0.000 1.179 194 L CA 0.140 54.966 54.840 -0.023 0.000 0.859 194 L CB -0.063 41.961 42.059 -0.059 0.000 1.269 194 L HN -0.195 nan 8.230 nan 0.000 0.511 195 D N 1.313 121.669 120.400 -0.074 0.000 2.558 195 D HA 0.206 4.846 4.640 0.001 0.000 0.221 195 D C -0.574 175.618 176.300 -0.180 0.000 1.143 195 D CA 0.470 54.406 54.000 -0.107 0.000 1.010 195 D CB 0.180 40.942 40.800 -0.062 0.000 1.068 195 D HN 0.068 nan 8.370 nan 0.000 0.511 196 T N -0.326 114.068 114.554 -0.266 0.000 2.977 196 T HA 0.222 4.573 4.350 0.001 0.000 0.345 196 T C 0.519 174.928 174.700 -0.484 0.000 1.562 196 T CA -0.450 61.382 62.100 -0.447 0.000 1.090 196 T CB 0.924 69.416 68.868 -0.627 0.000 1.383 196 T HN 0.051 nan 8.240 nan 0.000 0.484 197 T N 0.653 114.909 114.554 -0.497 0.000 3.163 197 T HA 0.212 4.562 4.350 0.001 0.000 0.252 197 T C 0.651 174.939 174.700 -0.686 0.000 1.056 197 T CA 0.032 61.864 62.100 -0.445 0.000 0.947 197 T CB -0.586 68.149 68.868 -0.223 0.000 1.016 197 T HN 0.792 nan 8.240 nan 0.000 0.554 198 H N -0.345 118.232 119.070 -0.821 0.000 2.535 198 H HA 0.384 4.941 4.556 0.002 0.000 0.232 198 H C -3.206 171.652 175.328 -0.784 0.000 1.405 198 H CA -2.351 52.964 56.048 -1.222 0.000 1.224 198 H CB -0.032 29.368 29.762 -0.603 0.000 1.763 198 H HN 0.155 nan 8.280 nan 0.000 0.529 199 P HA -0.027 nan 4.420 nan 0.000 0.269 199 P C 0.779 177.970 177.300 -0.181 0.000 1.209 199 P CA -0.222 62.628 63.100 -0.417 0.000 0.776 199 P CB 1.864 33.371 31.700 -0.321 0.000 0.876 200 V N 2.876 122.586 119.914 -0.339 0.000 2.673 200 V HA -0.009 4.112 4.120 0.001 0.000 0.303 200 V C 0.988 176.989 176.094 -0.155 0.000 1.046 200 V CA 0.688 62.748 62.300 -0.399 0.000 1.126 200 V CB 0.092 31.335 31.823 -0.966 0.000 0.934 200 V HN 0.558 nan 8.190 nan 0.000 0.487 201 S N 3.956 119.610 115.700 -0.078 0.000 2.457 201 S HA 0.581 5.052 4.470 0.001 0.000 0.289 201 S C -0.363 174.006 174.600 -0.384 0.000 1.163 201 S CA -0.462 57.677 58.200 -0.101 0.000 1.078 201 S CB 1.047 64.192 63.200 -0.090 0.000 0.987 201 S HN 0.901 nan 8.310 nan 0.000 0.482 202 D N 0.466 120.751 120.400 -0.191 0.000 2.713 202 D HA 0.567 5.207 4.640 0.001 0.000 0.306 202 D C -1.763 174.649 176.300 0.186 0.000 1.299 202 D CA -0.297 53.623 54.000 -0.133 0.000 0.823 202 D CB 1.898 42.828 40.800 0.217 0.000 1.353 202 D HN 0.377 nan 8.370 nan 0.000 0.447 203 V N 1.098 121.157 119.914 0.243 0.000 2.924 203 V HA 0.505 4.626 4.120 0.001 0.000 0.300 203 V C -1.778 174.414 176.094 0.164 0.000 1.227 203 V CA -0.527 61.910 62.300 0.229 0.000 0.954 203 V CB 2.115 34.106 31.823 0.280 0.000 1.055 203 V HN 0.562 nan 8.190 nan 0.000 0.429 204 D N 3.380 123.862 120.400 0.136 0.000 2.414 204 D HA 0.774 5.415 4.640 0.001 0.000 0.241 204 D C -0.781 175.631 176.300 0.187 0.000 1.008 204 D CA -0.138 53.945 54.000 0.140 0.000 1.001 204 D CB 2.015 42.885 40.800 0.117 0.000 1.277 204 D HN 0.667 nan 8.370 nan 0.000 0.538 205 L N -1.574 119.798 121.223 0.248 0.000 2.323 205 L HA 0.967 5.308 4.340 0.001 0.000 0.265 205 L C -0.928 176.122 176.870 0.301 0.000 1.012 205 L CA -1.252 53.809 54.840 0.368 0.000 0.820 205 L CB 1.535 43.895 42.059 0.503 0.000 1.334 205 L HN 0.306 nan 8.230 nan 0.000 0.427 206 A N 2.678 125.695 122.820 0.328 0.000 2.318 206 A HA 0.851 5.172 4.320 0.001 0.000 0.317 206 A C -0.824 176.859 177.584 0.164 0.000 1.159 206 A CA -0.443 51.732 52.037 0.229 0.000 0.799 206 A CB 0.670 19.798 19.000 0.213 0.000 1.194 206 A HN 1.066 nan 8.150 nan 0.000 0.479 207 L N 0.318 121.581 121.223 0.067 0.000 2.303 207 L HA 1.026 5.367 4.340 0.001 0.000 0.256 207 L C -0.023 176.836 176.870 -0.018 0.000 1.034 207 L CA -0.442 54.371 54.840 -0.046 0.000 0.832 207 L CB 1.586 43.511 42.059 -0.223 0.000 1.403 207 L HN 0.672 nan 8.230 nan 0.000 0.419 208 T N -2.619 111.909 114.554 -0.044 0.000 2.901 208 T HA 0.987 5.338 4.350 0.001 0.000 0.293 208 T C 0.052 174.725 174.700 -0.046 0.000 1.084 208 T CA -0.271 61.817 62.100 -0.020 0.000 1.008 208 T CB 1.289 70.160 68.868 0.004 0.000 1.170 208 T HN 2.255 nan 8.240 nan 0.000 0.509 209 G N 1.160 109.950 108.800 -0.017 0.000 2.343 209 G HA2 0.130 4.091 3.960 0.001 0.000 0.562 209 G HA3 0.130 4.091 3.960 0.001 0.000 0.562 209 G C -2.609 172.291 174.900 0.001 0.000 1.269 209 G CA -0.260 44.829 45.100 -0.019 0.000 1.011 209 G HN 0.618 nan 8.290 nan 0.000 0.498 210 P HA -0.052 nan 4.420 nan 0.000 0.217 210 P C 2.142 179.471 177.300 0.048 0.000 1.148 210 P CA 2.946 66.064 63.100 0.029 0.000 0.828 210 P CB -0.030 31.678 31.700 0.014 0.000 0.783 211 A N -0.294 122.534 122.820 0.014 0.000 2.070 211 A HA -0.078 4.243 4.320 0.001 0.000 0.220 211 A C 2.250 179.944 177.584 0.183 0.000 1.159 211 A CA 1.757 53.836 52.037 0.069 0.000 0.656 211 A CB -1.414 17.490 19.000 -0.160 0.000 0.800 211 A HN 0.211 nan 8.150 nan 0.000 0.453 212 A N -0.390 122.492 122.820 0.103 0.000 1.969 212 A HA 0.156 4.476 4.320 0.001 0.000 0.218 212 A C 2.348 179.984 177.584 0.088 0.000 1.169 212 A CA 1.701 53.825 52.037 0.147 0.000 0.635 212 A CB -1.217 17.842 19.000 0.099 0.000 0.810 212 A HN 0.681 nan 8.150 nan 0.000 0.445 213 G N -0.471 108.385 108.800 0.093 0.000 2.422 213 G HA2 -0.154 3.807 3.960 0.001 0.000 0.218 213 G HA3 -0.154 3.807 3.960 0.001 0.000 0.218 213 G C 1.773 176.660 174.900 -0.022 0.000 1.146 213 G CA 1.296 46.435 45.100 0.065 0.000 0.769 213 G HN 0.497 nan 8.290 nan 0.000 0.547 214 S N 1.225 116.984 115.700 0.099 0.000 2.370 214 S HA -0.056 4.415 4.470 0.001 0.000 0.226 214 S C 2.771 177.433 174.600 0.103 0.000 1.033 214 S CA 1.239 59.526 58.200 0.145 0.000 1.011 214 S CB -0.404 62.956 63.200 0.267 0.000 0.852 214 S HN 0.594 nan 8.310 nan 0.000 0.457 215 A N 1.573 124.437 122.820 0.073 0.000 1.933 215 A HA 0.100 4.421 4.320 0.001 0.000 0.218 215 A C 2.350 179.771 177.584 -0.272 0.000 1.175 215 A CA 1.642 53.505 52.037 -0.290 0.000 0.628 215 A CB -1.395 17.474 19.000 -0.218 0.000 0.814 215 A HN 0.521 nan 8.150 nan 0.000 0.444 216 G N -0.679 107.893 108.800 -0.379 0.000 2.422 216 G HA2 -0.215 3.746 3.960 0.001 0.000 0.218 216 G HA3 -0.215 3.746 3.960 0.001 0.000 0.218 216 G C 1.764 176.428 174.900 -0.393 0.000 1.146 216 G CA 0.852 45.566 45.100 -0.643 0.000 0.769 216 G HN 0.556 nan 8.290 nan 0.000 0.547 217 R N -1.246 119.101 120.500 -0.254 0.000 2.115 217 R HA -0.022 4.319 4.340 0.001 0.000 0.226 217 R C 2.237 178.561 176.300 0.041 0.000 1.100 217 R CA 0.993 57.093 56.100 -0.001 0.000 0.980 217 R CB -0.423 29.911 30.300 0.057 0.000 0.875 217 R HN 0.501 nan 8.270 nan 0.000 0.445 218 Y N 1.483 121.728 120.300 -0.092 0.000 2.145 218 Y HA -0.184 4.367 4.550 0.001 0.000 0.286 218 Y C 1.867 177.741 175.900 -0.043 0.000 1.145 218 Y CA 1.461 59.519 58.100 -0.071 0.000 1.148 218 Y CB -0.224 38.118 38.460 -0.197 0.000 0.981 218 Y HN -0.057 nan 8.280 nan 0.000 0.507 219 L N -0.232 120.951 121.223 -0.066 0.000 2.083 219 L HA -0.224 4.116 4.340 0.001 0.000 0.209 219 L C 2.046 179.002 176.870 0.144 0.000 1.083 219 L CA 1.475 56.328 54.840 0.022 0.000 0.752 219 L CB -0.603 41.536 42.059 0.132 0.000 0.899 219 L HN 0.172 nan 8.230 nan 0.000 0.433 220 D N -0.556 119.909 120.400 0.109 0.000 2.149 220 D HA -0.155 4.486 4.640 0.001 0.000 0.198 220 D C 2.166 178.530 176.300 0.106 0.000 0.990 220 D CA 1.539 55.628 54.000 0.149 0.000 0.839 220 D CB -0.130 40.747 40.800 0.128 0.000 0.948 220 D HN 0.243 nan 8.370 nan 0.000 0.460 221 T N 0.797 115.347 114.554 -0.006 0.000 2.708 221 T HA -0.058 4.292 4.350 0.001 0.000 0.266 221 T C 2.168 176.845 174.700 -0.039 0.000 1.037 221 T CA 0.558 62.637 62.100 -0.035 0.000 1.146 221 T CB -0.199 68.603 68.868 -0.110 0.000 0.865 221 T HN 0.146 nan 8.240 nan 0.000 0.435 222 L N -1.267 119.852 121.223 -0.173 0.000 2.093 222 L HA -0.049 4.292 4.340 0.001 0.000 0.208 222 L C 2.399 179.274 176.870 0.008 0.000 1.085 222 L CA 1.378 56.131 54.840 -0.144 0.000 0.755 222 L CB -0.510 41.365 42.059 -0.307 0.000 0.904 222 L HN 0.365 nan 8.230 nan 0.000 0.435 223 W N 0.162 121.489 121.300 0.046 0.000 2.467 223 W HA -0.101 4.560 4.660 0.002 0.000 0.275 223 W C 2.656 179.215 176.519 0.067 0.000 1.239 223 W CA 1.066 58.462 57.345 0.084 0.000 1.266 223 W CB -0.361 29.140 29.460 0.068 0.000 1.112 223 W HN 0.002 nan 8.180 nan 0.000 0.576 224 T N -0.600 114.114 114.554 0.266 0.000 2.708 224 T HA -0.296 4.055 4.350 0.001 0.000 0.266 224 T C 1.184 175.966 174.700 0.136 0.000 1.037 224 T CA 1.726 63.925 62.100 0.164 0.000 1.146 224 T CB -0.730 68.211 68.868 0.122 0.000 0.865 224 T HN 0.365 nan 8.240 nan 0.000 0.435 225 W N 1.640 122.938 121.300 -0.004 0.000 2.355 225 W HA -0.177 4.484 4.660 0.002 0.000 0.309 225 W C 2.330 178.824 176.519 -0.042 0.000 1.206 225 W CA 1.556 58.883 57.345 -0.030 0.000 1.284 225 W CB -0.653 28.779 29.460 -0.047 0.000 1.145 225 W HN 0.096 nan 8.180 nan 0.000 0.502 226 T N 0.012 114.660 114.554 0.157 0.000 2.708 226 T HA -0.271 4.079 4.350 0.001 0.000 0.266 226 T C 1.720 176.298 174.700 -0.203 0.000 1.037 226 T CA 1.846 63.905 62.100 -0.068 0.000 1.146 226 T CB -0.994 67.812 68.868 -0.104 0.000 0.865 226 T HN 0.236 nan 8.240 nan 0.000 0.435 227 c N 1.341 119.912 118.600 -0.049 0.000 2.425 227 c HA 0.002 4.573 4.570 0.001 0.000 0.277 227 c C 2.646 176.596 174.090 -0.233 0.000 1.280 227 c CA 0.366 56.614 56.329 -0.134 0.000 1.744 227 c CB -0.810 41.680 42.510 -0.034 0.000 1.989 227 c HN 0.574 nan 8.230 nan 0.000 0.491 228 K N 0.747 120.996 120.400 -0.252 0.000 2.280 228 K HA -0.064 4.257 4.320 0.001 0.000 0.202 228 K C 1.071 177.436 176.600 -0.391 0.000 1.047 228 K CA 0.888 57.005 56.287 -0.284 0.000 0.942 228 K CB -0.123 32.216 32.500 -0.269 0.000 0.739 228 K HN 0.575 nan 8.250 nan 0.000 0.457 229 N N 0.885 119.247 118.700 -0.565 0.000 2.204 229 N HA -0.007 4.734 4.740 0.001 0.000 0.219 229 N C 0.665 175.928 175.510 -0.413 0.000 1.151 229 N CA 0.119 52.816 53.050 -0.588 0.000 0.867 229 N CB 0.725 38.587 38.487 -1.043 0.000 1.043 229 N HN 0.297 nan 8.380 nan 0.000 0.516 230 K N -0.260 119.940 120.400 -0.334 0.000 2.439 230 K HA 0.130 4.451 4.320 0.001 0.000 0.197 230 K C 1.045 177.513 176.600 -0.220 0.000 1.041 230 K CA 0.914 57.043 56.287 -0.263 0.000 0.970 230 K CB 0.126 32.418 32.500 -0.347 0.000 0.773 230 K HN -0.191 nan 8.250 nan 0.000 0.479 231 S N 0.856 116.424 115.700 -0.221 0.000 2.575 231 S HA 0.032 4.503 4.470 0.001 0.000 0.215 231 S C -0.022 174.446 174.600 -0.219 0.000 0.966 231 S CA -0.402 57.687 58.200 -0.186 0.000 0.911 231 S CB -0.111 63.003 63.200 -0.144 0.000 0.780 231 S HN 0.347 nan 8.310 nan 0.000 0.514 232 N N 2.238 120.783 118.700 -0.257 0.000 2.527 232 N HA 0.204 4.945 4.740 0.001 0.000 0.236 232 N C 0.825 176.137 175.510 -0.330 0.000 0.999 232 N CA -0.477 52.429 53.050 -0.240 0.000 0.935 232 N CB 0.348 38.720 38.487 -0.191 0.000 1.132 232 N HN 0.311 nan 8.380 nan 0.000 0.511 233 I N 0.743 121.041 120.570 -0.454 0.000 2.614 233 I HA -0.006 4.165 4.170 0.001 0.000 0.258 233 I C 1.506 177.442 176.117 -0.301 0.000 1.189 233 I CA 0.831 61.666 61.300 -0.774 0.000 1.462 233 I CB -0.137 37.462 38.000 -0.668 0.000 1.092 233 I HN 0.334 nan 8.210 nan 0.000 0.442 234 A N 0.515 123.253 122.820 -0.136 0.000 2.119 234 A HA 0.057 4.378 4.320 0.001 0.000 0.216 234 A C 2.304 179.913 177.584 0.041 0.000 1.152 234 A CA 1.391 53.431 52.037 0.005 0.000 0.708 234 A CB -0.294 18.719 19.000 0.021 0.000 0.805 234 A HN 0.482 nan 8.150 nan 0.000 0.460 235 S N -1.919 113.769 115.700 -0.020 0.000 2.641 235 S HA 0.336 4.807 4.470 0.001 0.000 0.239 235 S C 0.120 174.769 174.600 0.083 0.000 1.081 235 S CA 0.299 58.564 58.200 0.108 0.000 0.904 235 S CB 0.681 63.926 63.200 0.075 0.000 0.803 235 S HN 0.159 nan 8.310 nan 0.000 0.510 236 V N 1.334 121.178 119.914 -0.116 0.000 2.777 236 V HA 0.420 4.541 4.120 0.001 0.000 0.306 236 V C -2.083 173.882 176.094 -0.216 0.000 1.112 236 V CA -0.765 61.500 62.300 -0.059 0.000 0.917 236 V CB 1.828 33.592 31.823 -0.098 0.000 1.018 236 V HN 0.482 nan 8.190 nan 0.000 0.426 237 W N 4.666 126.040 121.300 0.123 0.000 2.411 237 W HA 0.714 5.375 4.660 0.001 0.000 0.317 237 W C -0.729 175.935 176.519 0.241 0.000 1.030 237 W CA -0.419 57.016 57.345 0.150 0.000 1.239 237 W CB 1.759 31.283 29.460 0.107 0.000 1.304 237 W HN 0.524 nan 8.180 nan 0.000 0.437 238 F N 3.148 123.259 119.950 0.269 0.000 2.532 238 F HA 0.860 5.387 4.527 0.001 0.000 0.321 238 F C -0.686 175.242 175.800 0.214 0.000 1.089 238 F CA -1.122 57.019 58.000 0.236 0.000 0.926 238 F CB 1.301 40.404 39.000 0.171 0.000 1.168 238 F HN 0.340 nan 8.300 nan 0.000 0.459 239 A N 4.019 126.479 122.820 -0.600 0.000 2.427 239 A HA 0.921 5.242 4.320 0.001 0.000 0.298 239 A C -1.705 175.419 177.584 -0.767 0.000 1.036 239 A CA -0.158 51.590 52.037 -0.481 0.000 0.701 239 A CB 1.086 19.992 19.000 -0.157 0.000 1.250 239 A HN 1.434 nan 8.150 nan 0.000 0.412 240 A N 1.120 123.637 122.820 -0.504 0.000 2.423 240 A HA 0.884 5.205 4.320 0.001 0.000 0.304 240 A C 0.411 177.923 177.584 -0.119 0.000 1.104 240 A CA 0.080 51.937 52.037 -0.301 0.000 0.757 240 A CB 0.944 19.888 19.000 -0.094 0.000 1.313 240 A HN 2.058 nan 8.150 nan 0.000 0.423 241 S N 0.384 116.040 115.700 -0.073 0.000 2.608 241 S HA 0.521 4.992 4.470 0.001 0.000 0.261 241 S C 1.266 175.855 174.600 -0.018 0.000 1.314 241 S CA 0.133 58.306 58.200 -0.045 0.000 0.992 241 S CB 0.133 63.311 63.200 -0.038 0.000 0.935 241 S HN 2.542 nan 8.310 nan 0.000 0.564 242 G N 2.018 110.810 108.800 -0.013 0.000 2.651 242 G HA2 -0.376 3.585 3.960 0.001 0.000 0.387 242 G HA3 -0.376 3.585 3.960 0.001 0.000 0.387 242 G C 0.552 175.461 174.900 0.014 0.000 1.291 242 G CA 0.939 46.038 45.100 -0.001 0.000 0.958 242 G HN 0.835 nan 8.290 nan 0.000 0.549 243 N N 1.872 120.583 118.700 0.019 0.000 2.280 243 N HA 0.379 5.120 4.740 0.001 0.000 0.192 243 N C 1.017 176.555 175.510 0.046 0.000 1.109 243 N CA 0.693 53.761 53.050 0.030 0.000 0.855 243 N CB 0.123 38.623 38.487 0.021 0.000 0.974 243 N HN 0.854 nan 8.380 nan 0.000 0.482 244 A N 0.645 123.492 122.820 0.045 0.000 2.561 244 A HA 0.438 4.759 4.320 0.001 0.000 0.234 244 A C 1.052 178.705 177.584 0.116 0.000 1.055 244 A CA 0.404 52.476 52.037 0.059 0.000 0.756 244 A CB -0.029 18.997 19.000 0.043 0.000 0.986 244 A HN 0.225 nan 8.150 nan 0.000 0.505 245 G N -0.815 108.047 108.800 0.102 0.000 2.531 245 G HA2 0.433 4.394 3.960 0.001 0.000 0.313 245 G HA3 0.433 4.394 3.960 0.001 0.000 0.313 245 G C 0.007 175.013 174.900 0.176 0.000 1.238 245 G CA -0.264 44.912 45.100 0.126 0.000 0.994 245 G HN 1.079 nan 8.290 nan 0.000 0.493 246 c N 0.322 118.949 118.600 0.044 0.000 2.653 246 c HA 0.420 4.991 4.570 0.001 0.000 0.421 246 c C 0.819 174.896 174.090 -0.021 0.000 1.334 246 c CA -0.163 56.137 56.329 -0.049 0.000 1.885 246 c CB -1.200 41.032 42.510 -0.463 0.000 2.645 246 c HN 0.520 nan 8.230 nan 0.000 0.601 247 M N 9.122 128.686 119.600 -0.059 0.000 2.385 247 M HA 0.229 4.710 4.480 0.001 0.000 0.346 247 M C -1.364 174.891 176.300 -0.075 0.000 1.180 247 M CA -1.364 53.874 55.300 -0.103 0.000 1.154 247 M CB 1.197 33.689 32.600 -0.180 0.000 1.251 247 M HN 0.596 nan 8.290 nan 0.000 0.430 248 P HA -0.057 nan 4.420 nan 0.000 0.222 248 P C 0.586 177.947 177.300 0.100 0.000 1.153 248 P CA 1.281 64.453 63.100 0.120 0.000 0.798 248 P CB 0.029 31.778 31.700 0.080 0.000 0.796 249 T N -4.808 109.768 114.554 0.037 0.000 3.448 249 T HA 0.314 4.665 4.350 0.001 0.000 0.271 249 T C 1.131 175.841 174.700 0.016 0.000 1.002 249 T CA -0.445 61.682 62.100 0.045 0.000 0.995 249 T CB -0.651 68.240 68.868 0.037 0.000 1.153 249 T HN -0.150 nan 8.240 nan 0.000 0.510 250 M N 0.769 120.357 119.600 -0.020 0.000 2.144 250 M HA -0.204 4.277 4.480 0.001 0.000 0.260 250 M C 2.104 178.408 176.300 0.005 0.000 1.067 250 M CA 2.101 57.380 55.300 -0.036 0.000 1.095 250 M CB -0.293 32.251 32.600 -0.094 0.000 1.365 250 M HN 0.654 nan 8.290 nan 0.000 0.406 251 H N 0.213 119.271 119.070 -0.020 0.000 2.299 251 H HA -0.170 4.386 4.556 0.002 0.000 0.302 251 H C 2.048 177.379 175.328 0.004 0.000 1.078 251 H CA 2.583 58.632 56.048 0.001 0.000 1.323 251 H CB -0.174 29.600 29.762 0.020 0.000 1.381 251 H HN 0.391 nan 8.280 nan 0.000 0.498 252 K N -0.182 120.203 120.400 -0.025 0.000 2.103 252 K HA -0.158 4.162 4.320 0.001 0.000 0.207 252 K C 1.101 177.642 176.600 -0.099 0.000 1.048 252 K CA 2.027 58.275 56.287 -0.066 0.000 0.930 252 K CB 0.031 32.546 32.500 0.024 0.000 0.716 252 K HN 0.356 nan 8.250 nan 0.000 0.444 253 D N -0.633 119.725 120.400 -0.071 0.000 2.289 253 D HA -0.032 4.609 4.640 0.001 0.000 0.207 253 D C 1.158 177.413 176.300 -0.075 0.000 0.966 253 D CA 1.061 55.025 54.000 -0.059 0.000 0.868 253 D CB 0.395 41.172 40.800 -0.038 0.000 0.943 253 D HN 0.282 nan 8.370 nan 0.000 0.514 254 T N -0.365 114.126 114.554 -0.105 0.000 2.978 254 T HA 0.121 4.472 4.350 0.001 0.000 0.248 254 T C 0.688 175.318 174.700 -0.116 0.000 1.018 254 T CA -0.208 61.838 62.100 -0.089 0.000 1.026 254 T CB 0.711 69.541 68.868 -0.063 0.000 1.032 254 T HN -0.046 nan 8.240 nan 0.000 0.485 255 N N 2.009 120.579 118.700 -0.217 0.000 2.384 255 N HA 0.423 5.164 4.740 0.001 0.000 0.301 255 N C -2.938 172.450 175.510 -0.204 0.000 1.133 255 N CA -1.758 51.159 53.050 -0.222 0.000 0.853 255 N CB 1.240 39.527 38.487 -0.334 0.000 1.241 255 N HN 0.026 nan 8.380 nan 0.000 0.502 256 P HA 0.088 nan 4.420 nan 0.000 0.268 256 P C 0.560 177.826 177.300 -0.057 0.000 1.204 256 P CA -0.054 63.007 63.100 -0.066 0.000 0.768 256 P CB 1.207 32.891 31.700 -0.026 0.000 0.842 257 K N 2.957 123.334 120.400 -0.039 0.000 2.103 257 K HA -0.100 4.221 4.320 0.001 0.000 0.207 257 K C 0.633 177.253 176.600 0.033 0.000 1.048 257 K CA 1.343 57.630 56.287 -0.001 0.000 0.930 257 K CB -0.220 32.279 32.500 -0.001 0.000 0.716 257 K HN 0.574 nan 8.250 nan 0.000 0.444 258 A N 1.037 123.869 122.820 0.019 0.000 2.322 258 A HA 0.367 4.688 4.320 0.001 0.000 0.327 258 A C -0.598 177.005 177.584 0.031 0.000 1.394 258 A CA -0.591 51.462 52.037 0.027 0.000 0.921 258 A CB 0.804 19.812 19.000 0.013 0.000 1.153 258 A HN 0.212 nan 8.150 nan 0.000 0.523 259 S N 3.599 119.332 115.700 0.054 0.000 2.563 259 S HA 0.289 4.760 4.470 0.001 0.000 0.284 259 S C -2.060 172.559 174.600 0.031 0.000 1.331 259 S CA -0.347 57.886 58.200 0.055 0.000 1.047 259 S CB -0.022 63.229 63.200 0.085 0.000 0.859 259 S HN 0.662 nan 8.310 nan 0.000 0.514 260 P HA 0.250 nan 4.420 nan 0.000 0.269 260 P C -0.909 176.396 177.300 0.009 0.000 1.215 260 P CA -0.418 62.690 63.100 0.014 0.000 0.780 260 P CB 0.302 32.010 31.700 0.013 0.000 0.898 261 A N 1.601 124.423 122.820 0.002 0.000 2.388 261 A HA 0.460 4.781 4.320 0.001 0.000 0.257 261 A C 1.012 178.592 177.584 -0.006 0.000 1.095 261 A CA 0.396 52.429 52.037 -0.005 0.000 0.791 261 A CB -0.285 18.710 19.000 -0.007 0.000 1.029 261 A HN 0.662 nan 8.150 nan 0.000 0.489 262 T N -1.315 113.231 114.554 -0.015 0.000 3.009 262 T HA 0.543 4.894 4.350 0.001 0.000 0.267 262 T C 0.656 175.344 174.700 -0.020 0.000 0.942 262 T CA 0.677 62.770 62.100 -0.013 0.000 0.883 262 T CB 0.010 68.870 68.868 -0.013 0.000 1.192 262 T HN 1.736 nan 8.240 nan 0.000 0.524 263 G N 1.824 110.606 108.800 -0.030 0.000 2.578 263 G HA2 0.424 4.385 3.960 0.001 0.000 0.302 263 G HA3 0.424 4.385 3.960 0.001 0.000 0.302 263 G C -1.054 173.823 174.900 -0.039 0.000 1.243 263 G CA -0.125 44.953 45.100 -0.036 0.000 0.843 263 G HN 0.195 nan 8.290 nan 0.000 0.486 264 N N -0.745 117.928 118.700 -0.046 0.000 2.204 264 N HA 0.163 4.904 4.740 0.001 0.000 0.219 264 N C -0.200 175.274 175.510 -0.060 0.000 1.151 264 N CA -0.100 52.925 53.050 -0.043 0.000 0.867 264 N CB 0.948 39.416 38.487 -0.032 0.000 1.043 264 N HN 0.297 nan 8.380 nan 0.000 0.516 265 V N 3.028 122.890 119.914 -0.087 0.000 2.461 265 V HA 0.373 4.493 4.120 0.001 0.000 0.275 265 V C -2.082 173.944 176.094 -0.114 0.000 1.047 265 V CA -1.359 60.871 62.300 -0.117 0.000 0.955 265 V CB 1.372 33.092 31.823 -0.172 0.000 0.988 265 V HN 0.185 nan 8.190 nan 0.000 0.471 266 P HA 0.453 nan 4.420 nan 0.000 0.290 266 P C -1.126 176.103 177.300 -0.119 0.000 1.276 266 P CA -0.306 62.743 63.100 -0.086 0.000 0.808 266 P CB 1.899 33.565 31.700 -0.058 0.000 0.966 267 V N 4.591 124.451 119.914 -0.090 0.000 2.841 267 V HA 0.413 4.534 4.120 0.001 0.000 0.310 267 V C 0.152 176.252 176.094 0.008 0.000 1.090 267 V CA -0.658 61.587 62.300 -0.092 0.000 0.930 267 V CB 2.396 34.123 31.823 -0.158 0.000 1.014 267 V HN 0.403 nan 8.190 nan 0.000 0.425 268 I N 3.390 123.983 120.570 0.039 0.000 2.355 268 I HA 0.632 4.802 4.170 0.001 0.000 0.288 268 I C 0.543 176.747 176.117 0.144 0.000 0.999 268 I CA -0.482 60.889 61.300 0.119 0.000 1.163 268 I CB 1.696 39.760 38.000 0.106 0.000 1.316 268 I HN 0.734 nan 8.210 nan 0.000 0.454 269 A N 6.362 129.303 122.820 0.201 0.000 2.363 269 A HA 0.649 4.969 4.320 0.001 0.000 0.270 269 A C -0.549 177.016 177.584 -0.033 0.000 1.121 269 A CA -0.275 51.792 52.037 0.051 0.000 0.800 269 A CB 1.080 20.241 19.000 0.270 0.000 1.052 269 A HN 0.540 nan 8.150 nan 0.000 0.493 270 V N 2.148 121.843 119.914 -0.366 0.000 2.891 270 V HA 0.770 4.891 4.120 0.001 0.000 0.304 270 V C 0.146 176.033 176.094 -0.345 0.000 1.171 270 V CA 0.548 62.759 62.300 -0.149 0.000 0.943 270 V CB 2.005 33.795 31.823 -0.056 0.000 1.037 270 V HN 1.559 nan 8.190 nan 0.000 0.427 271 G N 3.273 112.004 108.800 -0.115 0.000 3.135 271 G HA2 0.914 4.875 3.960 0.001 0.000 0.278 271 G HA3 0.914 4.875 3.960 0.001 0.000 0.278 271 G C -0.311 174.614 174.900 0.042 0.000 1.302 271 G CA -0.389 44.630 45.100 -0.135 0.000 0.880 271 G HN 1.498 nan 8.290 nan 0.000 0.574 272 G N -1.621 107.267 108.800 0.146 0.000 2.704 272 G HA2 0.486 4.447 3.960 0.001 0.000 0.293 272 G HA3 0.486 4.447 3.960 0.001 0.000 0.293 272 G C -0.187 174.817 174.900 0.175 0.000 1.421 272 G CA -0.628 44.536 45.100 0.108 0.000 0.870 272 G HN 0.539 nan 8.290 nan 0.000 0.492 273 L N 1.372 122.621 121.223 0.042 0.000 2.607 273 L HA 0.285 4.626 4.340 0.001 0.000 0.228 273 L C 1.903 178.741 176.870 -0.053 0.000 1.123 273 L CA 0.574 55.408 54.840 -0.011 0.000 0.890 273 L CB -0.483 41.550 42.059 -0.044 0.000 1.103 273 L HN 1.074 nan 8.230 nan 0.000 0.468 274 G N 0.877 109.667 108.800 -0.015 0.000 2.596 274 G HA2 -0.296 3.665 3.960 0.001 0.000 0.295 274 G HA3 -0.296 3.665 3.960 0.001 0.000 0.295 274 G C -0.153 174.805 174.900 0.098 0.000 1.240 274 G CA -0.030 45.123 45.100 0.089 0.000 0.985 274 G HN 0.017 nan 8.290 nan 0.000 0.555 275 V N 0.369 120.338 119.914 0.091 0.000 2.638 275 V HA 0.694 4.815 4.120 0.001 0.000 0.306 275 V C 1.101 177.182 176.094 -0.021 0.000 1.052 275 V CA 0.976 63.314 62.300 0.063 0.000 0.885 275 V CB 0.757 32.641 31.823 0.102 0.000 0.999 275 V HN 2.805 nan 8.190 nan 0.000 0.424 276 G N 3.474 112.251 108.800 -0.039 0.000 2.201 276 G HA2 -0.180 3.780 3.960 0.001 0.000 0.212 276 G HA3 -0.180 3.780 3.960 0.001 0.000 0.212 276 G C 0.487 175.315 174.900 -0.120 0.000 0.994 276 G CA 0.342 45.419 45.100 -0.037 0.000 0.644 276 G HN 0.570 nan 8.290 nan 0.000 0.508 277 I N -0.301 120.117 120.570 -0.253 0.000 2.685 277 I HA 0.343 4.514 4.170 0.001 0.000 0.251 277 I C 1.037 177.151 176.117 -0.005 0.000 1.102 277 I CA 0.962 62.068 61.300 -0.323 0.000 1.442 277 I CB 0.369 38.075 38.000 -0.491 0.000 1.194 277 I HN 0.083 nan 8.210 nan 0.000 0.448 278 K N 1.010 121.397 120.400 -0.023 0.000 2.535 278 K HA 0.156 4.477 4.320 0.001 0.000 0.251 278 K C -0.953 175.648 176.600 0.002 0.000 0.942 278 K CA -0.305 55.992 56.287 0.017 0.000 0.798 278 K CB 1.885 34.396 32.500 0.018 0.000 1.267 278 K HN 0.024 nan 8.250 nan 0.000 0.434 279 D N 1.578 121.986 120.400 0.014 0.000 2.355 279 D HA 0.075 4.716 4.640 0.001 0.000 0.206 279 D C 0.238 176.543 176.300 0.008 0.000 1.010 279 D CA -0.053 53.952 54.000 0.010 0.000 0.875 279 D CB 0.761 41.569 40.800 0.012 0.000 0.966 279 D HN 0.066 nan 8.370 nan 0.000 0.512 280 V N -0.043 119.878 119.914 0.012 0.000 3.147 280 V HA 0.246 4.366 4.120 0.001 0.000 0.299 280 V C -2.022 174.086 176.094 0.024 0.000 1.302 280 V CA -1.068 61.242 62.300 0.015 0.000 1.015 280 V CB 2.352 34.187 31.823 0.020 0.000 1.086 280 V HN 0.008 nan 8.190 nan 0.000 0.437 281 D N 6.037 126.456 120.400 0.031 0.000 2.393 281 D HA 0.447 5.088 4.640 0.001 0.000 0.232 281 D C -1.670 174.657 176.300 0.046 0.000 1.192 281 D CA -2.070 51.958 54.000 0.046 0.000 0.882 281 D CB 1.935 42.773 40.800 0.065 0.000 1.038 281 D HN 0.348 nan 8.370 nan 0.000 0.499 282 P HA -0.062 nan 4.420 nan 0.000 0.226 282 P C 0.706 178.031 177.300 0.041 0.000 1.153 282 P CA 0.797 63.919 63.100 0.037 0.000 0.777 282 P CB 0.275 31.993 31.700 0.031 0.000 0.794 283 K N -0.699 119.731 120.400 0.049 0.000 2.366 283 K HA 0.065 4.386 4.320 0.001 0.000 0.198 283 K C 1.074 177.712 176.600 0.064 0.000 1.044 283 K CA 0.201 56.520 56.287 0.053 0.000 0.973 283 K CB -0.122 32.411 32.500 0.055 0.000 0.767 283 K HN 0.026 nan 8.250 nan 0.000 0.475 284 S N 1.262 117.005 115.700 0.071 0.000 2.531 284 S HA 0.031 4.502 4.470 0.001 0.000 0.279 284 S C 0.814 175.468 174.600 0.089 0.000 1.305 284 S CA -0.369 57.885 58.200 0.090 0.000 1.058 284 S CB 0.692 63.951 63.200 0.099 0.000 0.899 284 S HN 0.365 nan 8.310 nan 0.000 0.493 285 T N 2.774 117.394 114.554 0.111 0.000 3.182 285 T HA 0.298 4.649 4.350 0.001 0.000 0.277 285 T C -0.097 174.699 174.700 0.159 0.000 1.013 285 T CA -0.418 61.744 62.100 0.103 0.000 0.900 285 T CB -0.369 68.548 68.868 0.082 0.000 1.098 285 T HN 0.420 nan 8.240 nan 0.000 0.543 286 F N 3.475 123.426 119.950 0.002 0.000 2.427 286 F HA 0.557 5.084 4.527 0.002 0.000 0.352 286 F C 0.395 176.191 175.800 -0.006 0.000 1.100 286 F CA -1.548 56.448 58.000 -0.007 0.000 1.191 286 F CB 0.606 39.596 39.000 -0.016 0.000 1.128 286 F HN 0.004 nan 8.300 nan 0.000 0.533 287 R N 6.607 126.789 120.500 -0.530 0.000 2.734 287 R HA 0.253 4.594 4.340 0.001 0.000 0.268 287 R C -2.625 173.322 176.300 -0.588 0.000 1.785 287 R CA -1.407 54.449 56.100 -0.408 0.000 1.461 287 R CB 0.626 30.815 30.300 -0.185 0.000 1.308 287 R HN 0.468 nan 8.270 nan 0.000 0.586 288 P HA 0.154 nan 4.420 nan 0.000 0.274 288 P C -0.492 176.652 177.300 -0.260 0.000 1.246 288 P CA -0.361 62.400 63.100 -0.566 0.000 0.795 288 P CB 0.833 32.256 31.700 -0.462 0.000 1.006 289 D N 0.091 120.392 120.400 -0.165 0.000 2.399 289 D HA 0.150 4.791 4.640 0.001 0.000 0.241 289 D C 0.782 177.037 176.300 -0.075 0.000 1.133 289 D CA 0.075 54.017 54.000 -0.096 0.000 0.890 289 D CB 0.282 41.047 40.800 -0.058 0.000 1.201 289 D HN 0.214 nan 8.370 nan 0.000 0.432 295 T N 1.242 115.800 114.554 0.006 0.000 2.923 295 T HA 0.315 4.666 4.350 0.001 0.000 0.309 295 T C 0.860 175.566 174.700 0.011 0.000 1.059 295 T CA 1.045 63.149 62.100 0.007 0.000 1.133 295 T CB -0.088 68.787 68.868 0.013 0.000 1.053 295 T HN 0.704 nan 8.240 nan 0.000 0.530 296 A N 3.410 126.230 122.820 0.001 0.000 2.609 296 A HA 0.369 4.690 4.320 0.001 0.000 0.232 296 A C 0.813 178.403 177.584 0.011 0.000 1.041 296 A CA 0.172 52.208 52.037 -0.003 0.000 0.753 296 A CB 0.084 19.081 19.000 -0.006 0.000 0.966 296 A HN 0.733 nan 8.150 nan 0.000 0.510 297 S N -0.888 114.813 115.700 0.001 0.000 2.697 297 S HA 0.526 4.997 4.470 0.001 0.000 0.289 297 S C -0.453 174.147 174.600 0.000 0.000 1.149 297 S CA 0.002 58.221 58.200 0.032 0.000 0.850 297 S CB 1.206 64.442 63.200 0.060 0.000 1.151 297 S HN 0.852 nan 8.310 nan 0.000 0.491 298 D N 0.244 120.675 120.400 0.051 0.000 2.587 298 D HA 0.129 4.770 4.640 0.001 0.000 0.233 298 D C 0.984 177.241 176.300 -0.072 0.000 1.213 298 D CA -0.049 53.956 54.000 0.009 0.000 0.827 298 D CB -0.069 40.757 40.800 0.044 0.000 1.006 298 D HN 0.350 nan 8.370 nan 0.000 0.490 299 T N -0.403 113.970 114.554 -0.302 0.000 2.867 299 T HA -0.112 4.239 4.350 0.001 0.000 0.268 299 T C 0.744 175.258 174.700 -0.309 0.000 1.057 299 T CA 0.763 62.474 62.100 -0.647 0.000 1.136 299 T CB -0.138 68.094 68.868 -1.061 0.000 0.874 299 T HN 0.069 nan 8.240 nan 0.000 0.466 300 K N 1.364 121.648 120.400 -0.192 0.000 2.268 300 K HA 0.246 4.567 4.320 0.001 0.000 0.276 300 K C 1.469 178.025 176.600 -0.072 0.000 1.080 300 K CA -0.472 55.745 56.287 -0.117 0.000 0.910 300 K CB 0.254 32.700 32.500 -0.091 0.000 1.163 300 K HN 0.457 nan 8.250 nan 0.000 0.465 301 c N 2.235 120.800 118.600 -0.059 0.000 2.432 301 c HA 0.108 4.679 4.570 0.001 0.000 0.280 301 c C 1.000 175.076 174.090 -0.022 0.000 1.353 301 c CA -0.407 55.900 56.329 -0.036 0.000 1.766 301 c CB -0.589 41.902 42.510 -0.033 0.000 1.924 301 c HN 0.371 nan 8.230 nan 0.000 0.509 305 G N 1.670 110.483 108.800 0.021 0.000 2.920 305 G HA2 0.340 4.301 3.960 0.001 0.000 0.208 305 G HA3 0.340 4.301 3.960 0.001 0.000 0.208 305 G C 0.511 175.444 174.900 0.055 0.000 1.159 305 G CA 0.079 45.199 45.100 0.035 0.000 0.784 305 G HN 0.512 nan 8.290 nan 0.000 0.535 306 L N 0.891 122.146 121.223 0.053 0.000 2.416 306 L HA 0.215 4.556 4.340 0.001 0.000 0.272 306 L C 0.318 177.238 176.870 0.084 0.000 1.161 306 L CA -0.826 54.067 54.840 0.088 0.000 0.845 306 L CB 0.707 42.815 42.059 0.081 0.000 1.119 306 L HN 0.167 nan 8.230 nan 0.000 0.464 307 H N 2.521 121.604 119.070 0.021 0.000 2.723 307 H HA 0.085 4.642 4.556 0.002 0.000 0.294 307 H C -0.649 174.618 175.328 -0.102 0.000 1.079 307 H CA -0.409 55.604 56.048 -0.058 0.000 1.411 307 H CB 0.528 30.229 29.762 -0.101 0.000 1.439 307 H HN 0.439 nan 8.280 nan 0.000 0.474 308 D N 3.671 123.718 120.400 -0.590 0.000 2.456 308 D HA 0.034 4.675 4.640 0.001 0.000 0.219 308 D C 0.147 176.032 176.300 -0.691 0.000 1.126 308 D CA -0.173 53.602 54.000 -0.375 0.000 0.890 308 D CB 0.076 40.766 40.800 -0.183 0.000 1.025 308 D HN 0.771 nan 8.370 nan 0.000 0.511 309 N N 1.168 119.253 118.700 -1.025 0.000 2.309 309 N HA -0.108 4.632 4.740 0.001 0.000 0.182 309 N C 1.329 176.381 175.510 -0.764 0.000 1.018 309 N CA 1.030 53.374 53.050 -1.176 0.000 0.876 309 N CB 0.345 37.486 38.487 -2.244 0.000 0.972 309 N HN 0.319 nan 8.380 nan 0.000 0.434 310 T N 0.377 114.766 114.554 -0.275 0.000 2.770 310 T HA 0.005 4.356 4.350 0.001 0.000 0.263 310 T C 1.258 175.940 174.700 -0.030 0.000 1.039 310 T CA 0.920 63.011 62.100 -0.016 0.000 1.142 310 T CB -0.036 68.938 68.868 0.178 0.000 0.868 310 T HN 0.300 nan 8.240 nan 0.000 0.435 311 N N 0.402 119.055 118.700 -0.079 0.000 2.220 311 N HA 0.315 5.056 4.740 0.001 0.000 0.195 311 N C 0.423 175.870 175.510 -0.106 0.000 1.123 311 N CA 0.185 53.191 53.050 -0.073 0.000 0.874 311 N CB 0.995 39.430 38.487 -0.086 0.000 0.995 311 N HN 0.302 nan 8.380 nan 0.000 0.498 312 A N 0.458 123.174 122.820 -0.174 0.000 2.843 312 A HA 0.212 4.533 4.320 0.001 0.000 0.248 312 A C -0.866 176.607 177.584 -0.184 0.000 0.904 312 A CA -0.307 51.627 52.037 -0.171 0.000 1.091 312 A CB 0.356 19.239 19.000 -0.194 0.000 1.208 312 A HN -0.049 nan 8.150 nan 0.000 0.476 313 D N 0.282 120.607 120.400 -0.125 0.000 2.319 313 D HA 0.117 4.758 4.640 0.001 0.000 0.237 313 D C 0.913 177.232 176.300 0.031 0.000 1.353 313 D CA -0.388 53.589 54.000 -0.040 0.000 0.992 313 D CB 0.908 41.672 40.800 -0.060 0.000 1.368 313 D HN 0.185 nan 8.370 nan 0.000 0.564 314 R N 2.424 122.933 120.500 0.016 0.000 2.083 314 R HA -0.145 4.195 4.340 0.001 0.000 0.237 314 R C 0.389 176.718 176.300 0.048 0.000 1.137 314 R CA 1.451 57.562 56.100 0.018 0.000 0.951 314 R CB 0.062 30.352 30.300 -0.015 0.000 0.851 314 R HN 0.371 nan 8.270 nan 0.000 0.434 315 D N -0.452 119.978 120.400 0.050 0.000 2.178 315 D HA -0.173 4.468 4.640 0.001 0.000 0.201 315 D C 1.611 177.943 176.300 0.052 0.000 0.980 315 D CA 0.959 54.986 54.000 0.045 0.000 0.842 315 D CB -0.500 40.321 40.800 0.036 0.000 0.948 315 D HN 0.333 nan 8.370 nan 0.000 0.472 316 Y N 1.894 122.171 120.300 -0.037 0.000 2.114 316 Y HA -0.250 4.302 4.550 0.003 0.000 0.282 316 Y C 1.746 177.631 175.900 -0.025 0.000 1.165 316 Y CA 1.799 59.864 58.100 -0.057 0.000 1.148 316 Y CB -0.080 38.303 38.460 -0.129 0.000 0.972 316 Y HN -0.125 nan 8.280 nan 0.000 0.504 317 D N -0.589 119.840 120.400 0.047 0.000 2.149 317 D HA -0.180 4.460 4.640 0.001 0.000 0.198 317 D C 2.219 178.470 176.300 -0.082 0.000 0.990 317 D CA 2.195 56.178 54.000 -0.028 0.000 0.839 317 D CB -0.437 40.407 40.800 0.073 0.000 0.948 317 D HN 0.602 nan 8.370 nan 0.000 0.460 318 T N -1.041 113.495 114.554 -0.031 0.000 2.962 318 T HA -0.088 4.262 4.350 0.001 0.000 0.270 318 T C 1.848 176.531 174.700 -0.028 0.000 1.088 318 T CA 1.182 63.282 62.100 -0.001 0.000 1.127 318 T CB -0.294 68.595 68.868 0.035 0.000 0.883 318 T HN 0.095 nan 8.240 nan 0.000 0.493 319 V N -2.167 117.684 119.914 -0.105 0.000 3.483 319 V HA 0.478 4.598 4.120 0.001 0.000 0.301 319 V C 0.344 176.335 176.094 -0.172 0.000 1.389 319 V CA -0.595 61.646 62.300 -0.098 0.000 1.101 319 V CB -0.666 31.104 31.823 -0.089 0.000 0.971 319 V HN 0.325 nan 8.190 nan 0.000 0.434 320 N N 2.072 120.610 118.700 -0.271 0.000 2.723 320 N HA 0.296 5.037 4.740 0.001 0.000 0.290 320 N C -2.129 173.287 175.510 -0.157 0.000 1.882 320 N CA -0.771 52.111 53.050 -0.280 0.000 0.851 320 N CB 1.671 39.759 38.487 -0.665 0.000 1.234 320 N HN 0.316 nan 8.380 nan 0.000 0.491 321 P HA -0.191 nan 4.420 nan 0.000 0.221 321 P C 1.175 178.389 177.300 -0.143 0.000 1.145 321 P CA 1.203 64.226 63.100 -0.128 0.000 0.795 321 P CB 0.370 31.987 31.700 -0.138 0.000 0.775 322 E N 0.854 120.987 120.200 -0.112 0.000 2.118 322 E HA -0.235 4.116 4.350 0.001 0.000 0.195 322 E C 1.670 178.176 176.600 -0.157 0.000 0.992 322 E CA 1.069 57.381 56.400 -0.146 0.000 0.804 322 E CB -0.743 28.876 29.700 -0.135 0.000 0.741 322 E HN 0.161 nan 8.360 nan 0.000 0.458 323 E N 1.189 121.334 120.200 -0.092 0.000 2.038 323 E HA -0.133 4.218 4.350 0.001 0.000 0.195 323 E C 2.260 178.816 176.600 -0.074 0.000 1.000 323 E CA 1.754 58.122 56.400 -0.054 0.000 0.803 323 E CB -0.179 29.557 29.700 0.060 0.000 0.750 323 E HN 0.178 nan 8.360 nan 0.000 0.448 324 S N 0.060 115.718 115.700 -0.070 0.000 2.382 324 S HA -0.180 4.290 4.470 0.001 0.000 0.228 324 S C 1.993 176.513 174.600 -0.134 0.000 1.027 324 S CA 0.913 59.065 58.200 -0.079 0.000 0.991 324 S CB -0.329 62.822 63.200 -0.082 0.000 0.823 324 S HN 0.420 nan 8.310 nan 0.000 0.469 325 A N 1.294 124.007 122.820 -0.178 0.000 1.902 325 A HA -0.011 4.310 4.320 0.001 0.000 0.217 325 A C 2.101 179.580 177.584 -0.175 0.000 1.181 325 A CA 1.155 53.076 52.037 -0.194 0.000 0.623 325 A CB -0.637 18.242 19.000 -0.201 0.000 0.818 325 A HN 0.457 nan 8.150 nan 0.000 0.443 326 L N -1.175 119.922 121.223 -0.211 0.000 2.072 326 L HA -0.132 4.209 4.340 0.001 0.000 0.205 326 L C 2.835 179.622 176.870 -0.138 0.000 1.079 326 L CA 1.172 55.877 54.840 -0.225 0.000 0.752 326 L CB -0.402 41.466 42.059 -0.318 0.000 0.906 326 L HN 0.328 nan 8.230 nan 0.000 0.436 327 R N -0.094 120.343 120.500 -0.105 0.000 2.096 327 R HA -0.120 4.221 4.340 0.001 0.000 0.235 327 R C 2.364 178.628 176.300 -0.061 0.000 1.127 327 R CA 1.282 57.343 56.100 -0.065 0.000 0.968 327 R CB -0.460 29.821 30.300 -0.032 0.000 0.861 327 R HN 0.343 nan 8.270 nan 0.000 0.440 328 A N 1.176 123.949 122.820 -0.078 0.000 1.968 328 A HA -0.112 4.208 4.320 0.001 0.000 0.217 328 A C 2.059 179.609 177.584 -0.057 0.000 1.169 328 A CA 0.763 52.756 52.037 -0.073 0.000 0.638 328 A CB -0.304 18.632 19.000 -0.106 0.000 0.812 328 A HN 0.217 nan 8.150 nan 0.000 0.446 329 L N 0.024 121.208 121.223 -0.065 0.000 2.046 329 L HA -0.105 4.236 4.340 0.001 0.000 0.208 329 L C 2.344 179.199 176.870 -0.025 0.000 1.077 329 L CA 1.898 56.716 54.840 -0.037 0.000 0.747 329 L CB -0.613 41.415 42.059 -0.051 0.000 0.896 329 L HN 0.142 nan 8.230 nan 0.000 0.432 330 V N 0.310 120.197 119.914 -0.046 0.000 2.287 330 V HA -0.326 3.795 4.120 0.001 0.000 0.248 330 V C 2.770 178.847 176.094 -0.029 0.000 1.053 330 V CA 1.792 64.066 62.300 -0.043 0.000 1.027 330 V CB -1.424 30.365 31.823 -0.057 0.000 0.646 330 V HN 0.627 nan 8.190 nan 0.000 0.447 331 A N 0.333 123.136 122.820 -0.028 0.000 2.121 331 A HA -0.133 4.188 4.320 0.001 0.000 0.218 331 A C 2.385 179.957 177.584 -0.019 0.000 1.154 331 A CA 1.695 53.717 52.037 -0.024 0.000 0.679 331 A CB -0.512 18.473 19.000 -0.026 0.000 0.795 331 A HN 0.700 nan 8.150 nan 0.000 0.458 332 S N -0.484 115.218 115.700 0.003 0.000 2.562 332 S HA 0.461 4.932 4.470 0.001 0.000 0.221 332 S C 0.921 175.562 174.600 0.068 0.000 0.975 332 S CA 0.341 58.554 58.200 0.020 0.000 0.918 332 S CB -0.528 62.721 63.200 0.080 0.000 0.772 332 S HN 0.819 nan 8.310 nan 0.000 0.531 333 A N 2.271 125.126 122.820 0.057 0.000 2.450 333 A HA 0.452 4.773 4.320 0.001 0.000 0.255 333 A C 1.135 178.722 177.584 0.006 0.000 1.096 333 A CA -0.297 51.768 52.037 0.047 0.000 0.778 333 A CB 0.318 19.302 19.000 -0.026 0.000 1.031 333 A HN 0.662 nan 8.150 nan 0.000 0.494 334 K N 2.015 122.425 120.400 0.016 0.000 2.348 334 K HA 0.253 4.573 4.320 0.001 0.000 0.194 334 K C 1.003 177.599 176.600 -0.007 0.000 1.052 334 K CA 0.928 57.210 56.287 -0.010 0.000 1.004 334 K CB 0.391 32.882 32.500 -0.015 0.000 0.873 334 K HN 0.600 nan 8.250 nan 0.000 0.523 335 G N 0.441 109.234 108.800 -0.012 0.000 2.831 335 G HA2 0.151 4.112 3.960 0.001 0.000 0.200 335 G HA3 0.151 4.112 3.960 0.001 0.000 0.200 335 G C -0.399 174.551 174.900 0.082 0.000 1.130 335 G CA 0.172 45.297 45.100 0.042 0.000 0.678 335 G HN 0.573 nan 8.290 nan 0.000 0.795 336 H N -1.612 117.440 119.070 -0.031 0.000 3.068 336 H HA 0.704 5.261 4.556 0.001 0.000 0.342 336 H C -1.730 173.570 175.328 -0.047 0.000 1.284 336 H CA -1.076 54.940 56.048 -0.055 0.000 1.181 336 H CB 1.157 30.887 29.762 -0.053 0.000 1.898 336 H HN 0.070 nan 8.280 nan 0.000 0.540 337 I N 1.869 122.443 120.570 0.006 0.000 2.466 337 I HA 0.338 4.508 4.170 0.001 0.000 0.289 337 I C -1.028 175.088 176.117 -0.002 0.000 1.026 337 I CA -0.621 60.660 61.300 -0.033 0.000 1.078 337 I CB 2.080 40.049 38.000 -0.051 0.000 1.249 337 I HN 0.579 nan 8.210 nan 0.000 0.429 338 E N 6.449 126.650 120.200 0.001 0.000 2.176 338 E HA 0.633 4.983 4.350 0.001 0.000 0.267 338 E C -1.076 175.518 176.600 -0.010 0.000 0.893 338 E CA -0.305 56.084 56.400 -0.018 0.000 0.761 338 E CB 2.427 32.115 29.700 -0.020 0.000 1.133 338 E HN 0.389 nan 8.360 nan 0.000 0.409 339 I N 1.700 122.262 120.570 -0.013 0.000 2.406 339 I HA 0.382 4.553 4.170 0.001 0.000 0.290 339 I C -0.542 175.594 176.117 0.032 0.000 0.999 339 I CA -0.645 60.658 61.300 0.006 0.000 1.124 339 I CB 1.925 39.916 38.000 -0.015 0.000 1.289 339 I HN 0.306 nan 8.210 nan 0.000 0.441 340 S N 6.169 121.895 115.700 0.043 0.000 2.659 340 S HA 0.553 5.024 4.470 0.001 0.000 0.312 340 S C -0.933 173.750 174.600 0.138 0.000 1.114 340 S CA -0.558 57.683 58.200 0.070 0.000 1.063 340 S CB 0.714 63.871 63.200 -0.071 0.000 0.996 340 S HN 0.523 nan 8.310 nan 0.000 0.478 341 Q N 2.402 122.301 119.800 0.165 0.000 2.501 341 Q HA 0.280 4.621 4.340 0.001 0.000 0.288 341 Q C 0.432 176.542 176.000 0.184 0.000 1.051 341 Q CA -0.710 55.191 55.803 0.163 0.000 0.788 341 Q CB 1.519 30.338 28.738 0.136 0.000 1.469 341 Q HN 0.819 nan 8.270 nan 0.000 0.416 342 Q N 0.278 120.191 119.800 0.189 0.000 2.050 342 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 342 Q C -0.547 175.577 176.000 0.206 0.000 0.980 342 Q CA 1.606 57.549 55.803 0.234 0.000 0.840 342 Q CB 0.535 29.453 28.738 0.301 0.000 0.898 342 Q HN 0.484 nan 8.270 nan 0.000 0.424 343 D N -1.546 118.999 120.400 0.242 0.000 2.655 343 D HA 0.139 4.780 4.640 0.001 0.000 0.229 343 D C -0.338 176.118 176.300 0.260 0.000 1.229 343 D CA -0.408 53.700 54.000 0.180 0.000 0.807 343 D CB 1.825 42.605 40.800 -0.034 0.000 1.514 343 D HN 0.040 nan 8.370 nan 0.000 0.444 344 L N 1.041 122.380 121.223 0.192 0.000 2.463 344 L HA 0.200 4.541 4.340 0.001 0.000 0.219 344 L C -0.054 176.991 176.870 0.291 0.000 1.088 344 L CA 0.845 55.814 54.840 0.216 0.000 0.849 344 L CB -0.070 42.074 42.059 0.142 0.000 1.012 344 L HN 0.233 nan 8.230 nan 0.000 0.468 345 N N -0.583 118.236 118.700 0.199 0.000 2.370 345 N HA 0.644 5.385 4.740 0.001 0.000 0.303 345 N C -0.484 175.007 175.510 -0.031 0.000 1.103 345 N CA -0.182 52.961 53.050 0.154 0.000 0.848 345 N CB 1.759 40.321 38.487 0.125 0.000 1.235 345 N HN 0.031 nan 8.380 nan 0.000 0.496 346 A N 0.101 122.895 122.820 -0.044 0.000 2.281 346 A HA 0.657 4.978 4.320 0.001 0.000 0.329 346 A C -0.126 177.352 177.584 -0.177 0.000 1.122 346 A CA -0.474 51.438 52.037 -0.207 0.000 0.850 346 A CB 0.307 19.230 19.000 -0.128 0.000 1.207 346 A HN 0.509 nan 8.150 nan 0.000 0.495 347 T N 0.758 115.177 114.554 -0.224 0.000 2.814 347 T HA 0.351 4.702 4.350 0.001 0.000 0.297 347 T C -0.356 174.248 174.700 -0.160 0.000 0.956 347 T CA 0.277 62.276 62.100 -0.168 0.000 1.123 347 T CB 0.005 68.768 68.868 -0.176 0.000 0.902 347 T HN 0.713 nan 8.240 nan 0.000 0.528 348 c N 7.577 126.111 118.600 -0.111 0.000 2.408 348 c HA 0.709 5.280 4.570 0.001 0.000 0.321 348 c C -2.036 172.014 174.090 -0.066 0.000 1.245 348 c CA -1.997 54.275 56.329 -0.095 0.000 1.523 348 c CB 0.595 43.058 42.510 -0.077 0.000 2.178 348 c HN 0.723 nan 8.230 nan 0.000 0.488 349 P HA 0.333 nan 4.420 nan 0.000 0.275 349 P C -2.376 174.857 177.300 -0.113 0.000 1.266 349 P CA -0.754 62.311 63.100 -0.058 0.000 0.793 349 P CB 0.231 31.925 31.700 -0.010 0.000 1.074 350 P HA 0.145 nan 4.420 nan 0.000 0.261 350 P C 0.195 177.427 177.300 -0.113 0.000 1.268 350 P CA 0.514 63.569 63.100 -0.076 0.000 0.833 350 P CB 0.515 32.189 31.700 -0.043 0.000 1.231 351 L N 2.310 123.380 121.223 -0.255 0.000 2.360 351 L HA 0.440 4.781 4.340 0.001 0.000 0.271 351 L C -2.101 174.670 176.870 -0.165 0.000 1.057 351 L CA -2.245 52.390 54.840 -0.343 0.000 0.803 351 L CB 1.074 42.838 42.059 -0.492 0.000 1.207 351 L HN -0.143 nan 8.230 nan 0.000 0.445 352 P HA 0.150 nan 4.420 nan 0.000 0.272 352 P C 0.235 177.453 177.300 -0.138 0.000 1.230 352 P CA -0.284 62.747 63.100 -0.115 0.000 0.788 352 P CB 0.882 32.523 31.700 -0.099 0.000 0.949 353 R N 0.618 121.023 120.500 -0.159 0.000 2.115 353 R HA -0.022 4.319 4.340 0.001 0.000 0.226 353 R C 0.368 176.715 176.300 0.078 0.000 1.100 353 R CA 1.538 57.615 56.100 -0.040 0.000 0.980 353 R CB -0.317 30.012 30.300 0.048 0.000 0.875 353 R HN 0.655 nan 8.270 nan 0.000 0.445 354 Y N -3.277 117.004 120.300 -0.032 0.000 2.638 354 Y HA 0.343 4.890 4.550 -0.005 0.000 0.335 354 Y C -1.309 174.624 175.900 0.056 0.000 1.155 354 Y CA -2.087 56.029 58.100 0.027 0.000 1.046 354 Y CB 0.684 39.079 38.460 -0.107 0.000 1.303 354 Y HN -0.286 nan 8.280 nan 0.000 0.460 355 D N 2.098 122.698 120.400 0.334 0.000 2.352 355 D HA 0.213 4.854 4.640 0.001 0.000 0.245 355 D C 0.820 177.338 176.300 0.363 0.000 1.224 355 D CA 0.148 54.293 54.000 0.243 0.000 0.879 355 D CB 0.687 41.606 40.800 0.199 0.000 1.057 355 D HN 0.724 nan 8.370 nan 0.000 0.491 356 I N 3.464 124.167 120.570 0.222 0.000 2.179 356 I HA -0.249 3.921 4.170 0.001 0.000 0.242 356 I C 2.440 178.690 176.117 0.223 0.000 1.088 356 I CA 0.738 62.200 61.300 0.271 0.000 1.357 356 I CB -0.089 37.981 38.000 0.117 0.000 1.051 356 I HN 0.302 nan 8.210 nan 0.000 0.409 357 R N 0.296 120.881 120.500 0.142 0.000 2.120 357 R HA -0.161 4.180 4.340 0.001 0.000 0.234 357 R C 2.290 178.654 176.300 0.107 0.000 1.123 357 R CA 1.119 57.281 56.100 0.104 0.000 0.975 357 R CB -0.424 29.916 30.300 0.068 0.000 0.866 357 R HN 0.254 nan 8.270 nan 0.000 0.446 358 L N -0.239 121.063 121.223 0.131 0.000 2.017 358 L HA -0.188 4.153 4.340 0.001 0.000 0.208 358 L C 1.739 178.647 176.870 0.064 0.000 1.073 358 L CA 1.788 56.673 54.840 0.075 0.000 0.745 358 L CB -0.545 41.553 42.059 0.065 0.000 0.894 358 L HN 0.066 nan 8.230 nan 0.000 0.432 359 Y N 0.079 120.405 120.300 0.044 0.000 2.224 359 Y HA -0.223 4.332 4.550 0.007 0.000 0.289 359 Y C 2.438 178.339 175.900 0.001 0.000 1.146 359 Y CA 1.672 59.773 58.100 0.001 0.000 1.182 359 Y CB -0.448 37.987 38.460 -0.043 0.000 0.983 359 Y HN 0.299 nan 8.280 nan 0.000 0.524 360 D N -0.551 119.952 120.400 0.171 0.000 2.144 360 D HA -0.159 4.482 4.640 0.001 0.000 0.199 360 D C 2.229 178.557 176.300 0.047 0.000 0.984 360 D CA 1.321 55.377 54.000 0.093 0.000 0.834 360 D CB -0.378 40.470 40.800 0.080 0.000 0.955 360 D HN 0.349 nan 8.370 nan 0.000 0.465 361 A N 0.423 123.262 122.820 0.032 0.000 1.930 361 A HA -0.078 4.243 4.320 0.001 0.000 0.217 361 A C 2.379 179.950 177.584 -0.021 0.000 1.175 361 A CA 0.725 52.763 52.037 0.001 0.000 0.627 361 A CB -0.651 18.344 19.000 -0.008 0.000 0.815 361 A HN 0.194 nan 8.150 nan 0.000 0.443 362 L N -0.721 120.478 121.223 -0.040 0.000 2.046 362 L HA -0.181 4.160 4.340 0.001 0.000 0.208 362 L C 3.105 179.952 176.870 -0.038 0.000 1.077 362 L CA 1.041 55.841 54.840 -0.066 0.000 0.747 362 L CB -0.579 41.398 42.059 -0.138 0.000 0.896 362 L HN 0.425 nan 8.230 nan 0.000 0.432 363 A N 0.176 122.992 122.820 -0.007 0.000 1.883 363 A HA -0.212 4.109 4.320 0.001 0.000 0.217 363 A C 2.547 180.127 177.584 -0.007 0.000 1.186 363 A CA 1.877 53.917 52.037 0.004 0.000 0.624 363 A CB -0.810 18.208 19.000 0.031 0.000 0.822 363 A HN 0.402 nan 8.150 nan 0.000 0.444 364 A N -0.551 122.267 122.820 -0.004 0.000 1.940 364 A HA -0.165 4.156 4.320 0.001 0.000 0.219 364 A C 2.131 179.703 177.584 -0.021 0.000 1.176 364 A CA 1.831 53.863 52.037 -0.009 0.000 0.631 364 A CB -0.351 18.646 19.000 -0.005 0.000 0.814 364 A HN 0.393 nan 8.150 nan 0.000 0.446 365 K N -0.739 119.644 120.400 -0.029 0.000 2.057 365 K HA -0.009 4.312 4.320 0.001 0.000 0.206 365 K C 2.046 178.617 176.600 -0.049 0.000 1.050 365 K CA 1.460 57.723 56.287 -0.039 0.000 0.935 365 K CB -0.432 32.041 32.500 -0.045 0.000 0.715 365 K HN 0.579 nan 8.250 nan 0.000 0.439 366 M N 0.239 119.809 119.600 -0.050 0.000 2.175 366 M HA -0.100 4.380 4.480 0.001 0.000 0.264 366 M C 2.261 178.531 176.300 -0.050 0.000 1.063 366 M CA 1.339 56.602 55.300 -0.062 0.000 1.119 366 M CB -0.342 32.226 32.600 -0.053 0.000 1.377 366 M HN 0.084 nan 8.290 nan 0.000 0.415 367 A N 0.197 122.997 122.820 -0.033 0.000 2.019 367 A HA 0.026 4.347 4.320 0.001 0.000 0.219 367 A C 2.050 179.616 177.584 -0.030 0.000 1.164 367 A CA 1.733 53.755 52.037 -0.026 0.000 0.644 367 A CB -0.599 18.391 19.000 -0.016 0.000 0.805 367 A HN 0.505 nan 8.150 nan 0.000 0.449 368 A N -1.953 120.847 122.820 -0.035 0.000 2.379 368 A HA 0.459 4.780 4.320 0.001 0.000 0.236 368 A C 1.569 179.126 177.584 -0.046 0.000 1.272 368 A CA 0.958 52.974 52.037 -0.035 0.000 0.886 368 A CB -0.810 18.171 19.000 -0.031 0.000 0.962 368 A HN 1.801 nan 8.150 nan 0.000 0.504 369 G N -1.230 107.533 108.800 -0.061 0.000 2.143 369 G HA2 -0.198 3.763 3.960 0.001 0.000 0.249 369 G HA3 -0.198 3.763 3.960 0.001 0.000 0.249 369 G C 0.152 174.991 174.900 -0.102 0.000 0.981 369 G CA 0.147 45.198 45.100 -0.083 0.000 0.665 369 G HN 0.758 nan 8.290 nan 0.000 0.528 370 V N 1.857 121.718 119.914 -0.088 0.000 2.530 370 V HA 0.398 4.519 4.120 0.001 0.000 0.282 370 V C 0.621 176.638 176.094 -0.129 0.000 1.048 370 V CA -0.668 61.582 62.300 -0.084 0.000 0.997 370 V CB 1.499 33.288 31.823 -0.056 0.000 0.987 370 V HN 0.215 nan 8.190 nan 0.000 0.477 371 K N 3.625 123.935 120.400 -0.151 0.000 2.218 371 K HA 0.513 4.833 4.320 0.001 0.000 0.276 371 K C -0.632 175.909 176.600 -0.098 0.000 1.022 371 K CA -0.295 55.848 56.287 -0.241 0.000 0.946 371 K CB 1.669 33.968 32.500 -0.334 0.000 1.000 371 K HN 0.404 nan 8.250 nan 0.000 0.468 372 V N 3.162 123.022 119.914 -0.090 0.000 2.487 372 V HA 0.392 4.513 4.120 0.001 0.000 0.298 372 V C -0.003 176.069 176.094 -0.037 0.000 1.028 372 V CA -0.931 61.337 62.300 -0.053 0.000 0.860 372 V CB 1.838 33.623 31.823 -0.063 0.000 0.991 372 V HN 0.640 nan 8.190 nan 0.000 0.427 373 R N 4.796 125.253 120.500 -0.071 0.000 2.445 373 R HA 0.764 5.104 4.340 0.001 0.000 0.308 373 R C -1.598 174.665 176.300 -0.063 0.000 0.961 373 R CA -0.579 55.443 56.100 -0.131 0.000 0.862 373 R CB 1.376 31.497 30.300 -0.297 0.000 1.144 373 R HN 0.715 nan 8.270 nan 0.000 0.447 374 I N 4.786 125.350 120.570 -0.011 0.000 2.447 374 I HA 0.297 4.468 4.170 0.001 0.000 0.287 374 I C -0.894 175.295 176.117 0.120 0.000 1.023 374 I CA -0.954 60.367 61.300 0.036 0.000 1.083 374 I CB 2.235 40.245 38.000 0.016 0.000 1.245 374 I HN 0.286 nan 8.210 nan 0.000 0.434 375 V N 7.035 127.040 119.914 0.151 0.000 2.448 375 V HA 0.569 4.690 4.120 0.001 0.000 0.295 375 V C -0.014 176.202 176.094 0.204 0.000 1.025 375 V CA -0.647 61.792 62.300 0.232 0.000 0.859 375 V CB 1.855 33.866 31.823 0.313 0.000 0.988 375 V HN 0.525 nan 8.190 nan 0.000 0.431 376 V N 1.608 121.648 119.914 0.210 0.000 3.158 376 V HA 0.740 4.861 4.120 0.001 0.000 0.315 376 V C 0.186 176.420 176.094 0.233 0.000 1.148 376 V CA -0.827 61.592 62.300 0.197 0.000 1.042 376 V CB 1.967 33.885 31.823 0.160 0.000 1.101 376 V HN 0.691 nan 8.190 nan 0.000 0.448 377 S N 0.824 116.656 115.700 0.221 0.000 2.562 377 S HA 0.112 4.583 4.470 0.001 0.000 0.281 377 S C 0.027 174.757 174.600 0.216 0.000 1.333 377 S CA -0.106 58.245 58.200 0.251 0.000 1.052 377 S CB 0.033 63.385 63.200 0.254 0.000 0.884 377 S HN 1.079 nan 8.310 nan 0.000 0.506 378 D N 4.241 124.777 120.400 0.227 0.000 2.531 378 D HA 0.067 4.708 4.640 0.001 0.000 0.239 378 D C -1.625 174.757 176.300 0.137 0.000 1.144 378 D CA -1.417 52.683 54.000 0.168 0.000 0.869 378 D CB 1.048 41.950 40.800 0.170 0.000 1.160 378 D HN 0.247 nan 8.370 nan 0.000 0.484 379 P HA -0.088 nan 4.420 nan 0.000 0.223 379 P C 0.718 178.060 177.300 0.070 0.000 1.144 379 P CA 1.191 64.338 63.100 0.079 0.000 0.783 379 P CB 0.117 31.851 31.700 0.058 0.000 0.771 380 A N -0.572 122.290 122.820 0.070 0.000 2.216 380 A HA -0.155 4.166 4.320 0.001 0.000 0.214 380 A C 1.934 179.557 177.584 0.066 0.000 1.160 380 A CA 1.155 53.223 52.037 0.051 0.000 0.725 380 A CB -1.021 18.000 19.000 0.035 0.000 0.784 380 A HN 0.192 nan 8.150 nan 0.000 0.472 381 N N -0.420 118.344 118.700 0.108 0.000 2.463 381 N HA -0.035 4.706 4.740 0.001 0.000 0.181 381 N C 1.101 176.684 175.510 0.121 0.000 1.078 381 N CA 0.117 53.255 53.050 0.146 0.000 0.902 381 N CB -0.037 38.587 38.487 0.227 0.000 0.970 381 N HN 0.599 nan 8.380 nan 0.000 0.451 390 Y N 2.160 122.525 120.300 0.108 0.000 2.676 390 Y HA 0.703 5.254 4.550 0.001 0.000 0.331 390 Y C 0.882 176.843 175.900 0.102 0.000 1.128 390 Y CA 0.536 58.715 58.100 0.132 0.000 1.360 390 Y CB 0.521 39.073 38.460 0.152 0.000 1.176 390 Y HN 0.292 nan 8.280 nan 0.000 0.518 391 S N -0.181 115.596 115.700 0.128 0.000 2.552 391 S HA 0.349 4.819 4.470 0.001 0.000 0.272 391 S C -0.470 174.117 174.600 -0.021 0.000 1.150 391 S CA -0.613 57.629 58.200 0.070 0.000 0.849 391 S CB 1.394 64.653 63.200 0.099 0.000 1.113 391 S HN 0.356 nan 8.310 nan 0.000 0.458 392 Q N 2.026 121.786 119.800 -0.067 0.000 2.112 392 Q HA 0.391 4.731 4.340 0.001 0.000 0.222 392 Q C -0.140 175.822 176.000 -0.063 0.000 0.798 392 Q CA -0.038 55.698 55.803 -0.112 0.000 1.060 392 Q CB 0.541 29.131 28.738 -0.246 0.000 1.184 392 Q HN 0.742 nan 8.270 nan 0.000 0.475 393 I N -4.307 116.253 120.570 -0.017 0.000 3.002 393 I HA 0.451 4.621 4.170 0.001 0.000 0.310 393 I C 0.298 176.425 176.117 0.016 0.000 1.087 393 I CA -1.079 60.224 61.300 0.005 0.000 1.017 393 I CB 1.883 39.899 38.000 0.027 0.000 1.226 393 I HN -0.247 nan 8.210 nan 0.000 0.443 394 K N 0.819 121.228 120.400 0.016 0.000 2.308 394 K HA 0.226 4.547 4.320 0.001 0.000 0.197 394 K C 0.492 177.108 176.600 0.027 0.000 1.049 394 K CA 0.531 56.830 56.287 0.019 0.000 0.991 394 K CB 0.500 33.007 32.500 0.012 0.000 0.836 394 K HN 0.669 nan 8.250 nan 0.000 0.500 395 S N -0.248 115.471 115.700 0.030 0.000 2.537 395 S HA 0.290 4.760 4.470 0.001 0.000 0.270 395 S C 0.487 175.114 174.600 0.044 0.000 1.142 395 S CA -0.724 57.496 58.200 0.035 0.000 0.870 395 S CB 1.127 64.343 63.200 0.026 0.000 1.112 395 S HN 0.109 nan 8.310 nan 0.000 0.466 396 L N 2.794 124.048 121.223 0.053 0.000 2.261 396 L HA -0.068 4.273 4.340 0.001 0.000 0.216 396 L C 2.401 179.303 176.870 0.054 0.000 1.114 396 L CA 1.086 55.964 54.840 0.063 0.000 0.777 396 L CB -0.510 41.591 42.059 0.071 0.000 0.910 396 L HN 0.664 nan 8.230 nan 0.000 0.440 397 S N -0.212 115.512 115.700 0.040 0.000 2.400 397 S HA -0.217 4.254 4.470 0.001 0.000 0.232 397 S C 1.732 176.344 174.600 0.021 0.000 1.025 397 S CA 1.284 59.502 58.200 0.029 0.000 0.993 397 S CB -0.215 62.998 63.200 0.021 0.000 0.808 397 S HN 0.526 nan 8.310 nan 0.000 0.478 398 E N 0.328 120.542 120.200 0.023 0.000 2.265 398 E HA -0.071 4.280 4.350 0.001 0.000 0.196 398 E C 1.682 178.286 176.600 0.008 0.000 0.996 398 E CA 0.832 57.237 56.400 0.010 0.000 0.832 398 E CB -0.149 29.564 29.700 0.022 0.000 0.756 398 E HN 0.546 nan 8.360 nan 0.000 0.491 399 I N 0.386 120.992 120.570 0.060 0.000 2.556 399 I HA -0.174 3.997 4.170 0.001 0.000 0.251 399 I C 2.537 178.724 176.117 0.116 0.000 1.105 399 I CA 0.757 62.136 61.300 0.133 0.000 1.436 399 I CB -0.126 37.960 38.000 0.144 0.000 1.139 399 I HN 0.070 nan 8.210 nan 0.000 0.438 400 S N 0.314 116.057 115.700 0.071 0.000 2.383 400 S HA -0.178 4.293 4.470 0.001 0.000 0.227 400 S C 1.582 176.197 174.600 0.026 0.000 1.026 400 S CA 1.228 59.462 58.200 0.056 0.000 0.981 400 S CB -0.472 62.758 63.200 0.049 0.000 0.818 400 S HN 0.319 nan 8.310 nan 0.000 0.472 401 D N 1.867 122.266 120.400 -0.002 0.000 2.117 401 D HA -0.038 4.603 4.640 0.001 0.000 0.197 401 D C 2.064 178.319 176.300 -0.075 0.000 0.987 401 D CA 1.741 55.724 54.000 -0.029 0.000 0.829 401 D CB -0.827 39.953 40.800 -0.034 0.000 0.961 401 D HN 0.481 nan 8.370 nan 0.000 0.460 402 T N 0.992 115.452 114.554 -0.156 0.000 2.737 402 T HA -0.034 4.316 4.350 0.001 0.000 0.265 402 T C 2.268 176.876 174.700 -0.154 0.000 1.038 402 T CA 0.446 62.321 62.100 -0.376 0.000 1.144 402 T CB -0.281 67.989 68.868 -0.998 0.000 0.866 402 T HN 0.101 nan 8.240 nan 0.000 0.434 403 L N 0.602 121.876 121.223 0.086 0.000 2.042 403 L HA -0.119 4.221 4.340 0.001 0.000 0.210 403 L C 2.912 179.810 176.870 0.047 0.000 1.076 403 L CA 1.417 56.341 54.840 0.140 0.000 0.749 403 L CB -0.491 41.636 42.059 0.113 0.000 0.893 403 L HN 0.169 nan 8.230 nan 0.000 0.432 404 R N 0.214 120.725 120.500 0.019 0.000 2.073 404 R HA -0.164 4.176 4.340 0.001 0.000 0.234 404 R C 2.099 178.398 176.300 -0.001 0.000 1.134 404 R CA 1.719 57.825 56.100 0.009 0.000 0.952 404 R CB -0.118 30.185 30.300 0.006 0.000 0.850 404 R HN 0.392 nan 8.270 nan 0.000 0.433 405 N N 0.385 119.073 118.700 -0.020 0.000 2.166 405 N HA -0.123 4.618 4.740 0.001 0.000 0.186 405 N C 1.662 177.169 175.510 -0.005 0.000 1.019 405 N CA 0.981 54.020 53.050 -0.018 0.000 0.856 405 N CB -0.180 38.286 38.487 -0.035 0.000 0.993 405 N HN 0.166 nan 8.380 nan 0.000 0.426 406 R N 0.788 121.287 120.500 -0.002 0.000 2.090 406 R HA 0.111 4.451 4.340 0.001 0.000 0.228 406 R C 2.304 178.619 176.300 0.026 0.000 1.110 406 R CA 0.252 56.367 56.100 0.026 0.000 0.973 406 R CB -1.090 29.246 30.300 0.059 0.000 0.869 406 R HN 0.298 nan 8.270 nan 0.000 0.440 407 L N 0.509 121.745 121.223 0.022 0.000 2.083 407 L HA -0.131 4.210 4.340 0.001 0.000 0.209 407 L C 2.420 179.296 176.870 0.009 0.000 1.083 407 L CA 1.320 56.169 54.840 0.014 0.000 0.752 407 L CB -0.524 41.542 42.059 0.011 0.000 0.899 407 L HN 0.148 nan 8.230 nan 0.000 0.433 408 A N 0.073 122.898 122.820 0.008 0.000 1.972 408 A HA -0.237 4.083 4.320 0.001 0.000 0.219 408 A C 1.926 179.514 177.584 0.006 0.000 1.169 408 A CA 1.994 54.034 52.037 0.006 0.000 0.635 408 A CB -0.804 18.198 19.000 0.004 0.000 0.810 408 A HN 0.568 nan 8.150 nan 0.000 0.446 409 N N -0.336 118.370 118.700 0.009 0.000 2.364 409 N HA -0.061 4.680 4.740 0.001 0.000 0.183 409 N C 1.329 176.844 175.510 0.007 0.000 1.022 409 N CA 1.409 54.465 53.050 0.009 0.000 0.883 409 N CB -0.195 38.300 38.487 0.014 0.000 0.965 409 N HN 0.801 nan 8.380 nan 0.000 0.438 410 I N -3.926 116.648 120.570 0.007 0.000 4.240 410 I HA 0.232 4.403 4.170 0.001 0.000 0.331 410 I C 0.868 176.986 176.117 0.001 0.000 1.381 410 I CA -0.064 61.238 61.300 0.004 0.000 1.136 410 I CB 0.532 38.534 38.000 0.005 0.000 1.137 410 I HN -0.100 nan 8.210 nan 0.000 0.411 411 T N -3.139 111.416 114.554 0.001 0.000 3.040 411 T HA 0.509 4.859 4.350 0.001 0.000 0.266 411 T C 1.402 176.102 174.700 0.000 0.000 1.005 411 T CA 0.406 62.505 62.100 -0.001 0.000 0.906 411 T CB 0.716 69.583 68.868 -0.001 0.000 1.082 411 T HN 0.611 nan 8.240 nan 0.000 0.531 412 G N -0.061 108.739 108.800 0.001 0.000 2.175 412 G HA2 0.277 4.238 3.960 0.001 0.000 0.244 412 G HA3 0.277 4.238 3.960 0.001 0.000 0.244 412 G C 0.526 175.427 174.900 0.002 0.000 0.982 412 G CA -0.293 44.808 45.100 0.001 0.000 0.641 412 G HN 1.715 nan 8.290 nan 0.000 0.527 413 G N -2.160 106.642 108.800 0.002 0.000 2.337 413 G HA2 0.503 4.463 3.960 0.001 0.000 0.298 413 G HA3 0.503 4.463 3.960 0.001 0.000 0.298 413 G C 0.160 175.062 174.900 0.003 0.000 1.335 413 G CA 0.602 45.704 45.100 0.003 0.000 0.875 413 G HN 0.251 nan 8.290 nan 0.000 0.579 414 Q N -0.488 119.314 119.800 0.003 0.000 2.119 414 Q HA -0.127 4.214 4.340 0.001 0.000 0.201 414 Q C 2.451 178.454 176.000 0.005 0.000 0.972 414 Q CA 1.898 57.703 55.803 0.004 0.000 0.847 414 Q CB -0.100 28.640 28.738 0.003 0.000 0.903 414 Q HN 0.738 nan 8.270 nan 0.000 0.433 415 Q N 0.250 120.052 119.800 0.004 0.000 2.050 415 Q HA -0.057 4.284 4.340 0.001 0.000 0.202 415 Q C 0.637 176.640 176.000 0.005 0.000 0.980 415 Q CA 0.911 56.717 55.803 0.005 0.000 0.840 415 Q CB 0.034 28.775 28.738 0.004 0.000 0.898 415 Q HN 0.247 nan 8.270 nan 0.000 0.424 419 K N 0.432 120.838 120.400 0.009 0.000 2.032 419 K HA -0.094 4.227 4.320 0.001 0.000 0.209 419 K C 1.883 178.492 176.600 0.015 0.000 1.048 419 K CA 1.972 58.268 56.287 0.014 0.000 0.927 419 K CB -0.308 32.200 32.500 0.013 0.000 0.712 419 K HN 0.528 nan 8.250 nan 0.000 0.441 420 T N 1.162 115.723 114.554 0.012 0.000 2.684 420 T HA -0.168 4.182 4.350 0.001 0.000 0.267 420 T C 1.998 176.703 174.700 0.008 0.000 1.036 420 T CA 1.456 63.563 62.100 0.012 0.000 1.148 420 T CB -0.281 68.592 68.868 0.008 0.000 0.863 420 T HN 0.344 nan 8.240 nan 0.000 0.436 421 A N 1.305 124.126 122.820 0.002 0.000 1.908 421 A HA -0.081 4.240 4.320 0.001 0.000 0.218 421 A C 2.324 179.903 177.584 -0.008 0.000 1.181 421 A CA 1.904 53.935 52.037 -0.009 0.000 0.627 421 A CB -0.729 18.264 19.000 -0.011 0.000 0.818 421 A HN 0.520 nan 8.150 nan 0.000 0.445 422 M N -0.938 118.665 119.600 0.006 0.000 2.067 422 M HA -0.177 4.304 4.480 0.001 0.000 0.260 422 M C 2.123 178.444 176.300 0.034 0.000 1.069 422 M CA 2.053 57.362 55.300 0.015 0.000 1.117 422 M CB -0.324 32.290 32.600 0.023 0.000 1.334 422 M HN 0.452 nan 8.290 nan 0.000 0.407 423 c N 0.254 118.879 118.600 0.042 0.000 2.432 423 c HA -0.023 4.547 4.570 0.001 0.000 0.282 423 c C 2.629 176.774 174.090 0.091 0.000 1.388 423 c CA 1.149 57.518 56.329 0.068 0.000 1.777 423 c CB -1.084 41.458 42.510 0.054 0.000 1.882 423 c HN 0.609 nan 8.230 nan 0.000 0.520 424 S N 0.721 116.450 115.700 0.049 0.000 2.527 424 S HA 0.004 4.475 4.470 0.001 0.000 0.222 424 S C 1.188 175.753 174.600 -0.059 0.000 0.985 424 S CA 0.727 58.948 58.200 0.036 0.000 0.921 424 S CB -0.178 63.020 63.200 -0.003 0.000 0.772 424 S HN 0.691 nan 8.310 nan 0.000 0.529 425 N N 0.208 118.852 118.700 -0.093 0.000 2.116 425 N HA 0.223 4.964 4.740 0.001 0.000 0.230 425 N C -0.976 174.433 175.510 -0.170 0.000 1.326 425 N CA -0.030 52.838 53.050 -0.304 0.000 0.867 425 N CB 1.016 39.381 38.487 -0.202 0.000 1.174 425 N HN 0.226 nan 8.380 nan 0.000 0.506 426 L N 1.560 122.836 121.223 0.088 0.000 2.346 426 L HA 0.432 4.773 4.340 0.001 0.000 0.274 426 L C -0.779 176.250 176.870 0.265 0.000 1.007 426 L CA -0.305 54.617 54.840 0.137 0.000 0.818 426 L CB 1.762 43.867 42.059 0.077 0.000 1.284 426 L HN -0.096 nan 8.230 nan 0.000 0.424 427 Q N 4.356 124.245 119.800 0.148 0.000 2.333 427 Q HA 0.620 4.960 4.340 0.001 0.000 0.268 427 Q C -1.653 174.405 176.000 0.096 0.000 1.007 427 Q CA -0.651 55.189 55.803 0.061 0.000 0.810 427 Q CB 2.500 31.038 28.738 -0.334 0.000 1.264 427 Q HN 0.544 nan 8.270 nan 0.000 0.452 428 L N 2.435 123.775 121.223 0.194 0.000 2.439 428 L HA 0.880 5.221 4.340 0.001 0.000 0.270 428 L C -1.781 175.221 176.870 0.219 0.000 0.972 428 L CA -0.154 54.790 54.840 0.173 0.000 0.836 428 L CB 1.739 43.867 42.059 0.116 0.000 1.255 428 L HN 0.708 nan 8.230 nan 0.000 0.404 429 A N 2.052 125.015 122.820 0.239 0.000 2.602 429 A HA 0.839 5.160 4.320 0.001 0.000 0.290 429 A C -0.698 176.999 177.584 0.188 0.000 1.114 429 A CA -0.052 52.108 52.037 0.206 0.000 0.683 429 A CB 1.453 20.598 19.000 0.242 0.000 1.281 429 A HN 0.757 nan 8.150 nan 0.000 0.416 430 T N -1.570 113.068 114.554 0.139 0.000 2.929 430 T HA 0.627 4.977 4.350 0.001 0.000 0.284 430 T C -0.271 174.534 174.700 0.174 0.000 1.014 430 T CA -0.413 61.787 62.100 0.167 0.000 1.051 430 T CB 0.860 69.808 68.868 0.134 0.000 1.028 430 T HN 1.061 nan 8.240 nan 0.000 0.485 431 F N 2.179 122.170 119.950 0.069 0.000 2.484 431 F HA 0.545 5.072 4.527 0.000 0.000 0.360 431 F C 0.447 176.134 175.800 -0.189 0.000 1.101 431 F CA -0.683 57.325 58.000 0.014 0.000 1.251 431 F CB 0.428 39.483 39.000 0.091 0.000 1.132 431 F HN 0.621 nan 8.300 nan 0.000 0.570 432 R N 2.554 122.324 120.500 -1.217 0.000 2.771 432 R HA 0.387 4.728 4.340 0.001 0.000 0.274 432 R C -0.167 175.032 176.300 -1.834 0.000 0.987 432 R CA -0.281 54.683 56.100 -1.893 0.000 0.908 432 R CB 1.864 31.583 30.300 -0.969 0.000 1.213 432 R HN 0.630 nan 8.270 nan 0.000 0.468 433 S N -1.373 113.197 115.700 -1.884 0.000 2.629 433 S HA 0.139 4.610 4.470 0.001 0.000 0.236 433 S C 0.280 174.386 174.600 -0.823 0.000 1.010 433 S CA -0.168 57.573 58.200 -0.767 0.000 0.981 433 S CB 0.272 63.066 63.200 -0.677 0.000 0.919 433 S HN 0.597 nan 8.310 nan 0.000 0.514 434 S N 0.120 115.253 115.700 -0.944 0.000 2.656 434 S HA 0.629 5.100 4.470 0.001 0.000 0.273 434 S C -2.936 171.388 174.600 -0.460 0.000 1.168 434 S CA -1.099 56.535 58.200 -0.943 0.000 0.817 434 S CB 0.845 63.797 63.200 -0.412 0.000 1.146 434 S HN -0.084 nan 8.310 nan 0.000 0.475 435 P HA 0.023 nan 4.420 nan 0.000 0.222 435 P C 0.092 177.380 177.300 -0.020 0.000 1.147 435 P CA 0.788 63.900 63.100 0.019 0.000 0.790 435 P CB -0.155 31.573 31.700 0.047 0.000 0.780 436 N N -0.086 118.595 118.700 -0.031 0.000 2.518 436 N HA 0.034 4.775 4.740 0.001 0.000 0.266 436 N C 1.561 177.092 175.510 0.035 0.000 1.196 436 N CA 0.502 53.547 53.050 -0.008 0.000 0.947 436 N CB 0.593 39.066 38.487 -0.024 0.000 1.098 436 N HN -0.089 nan 8.380 nan 0.000 0.450 437 G N 2.410 111.217 108.800 0.011 0.000 2.509 437 G HA2 -0.099 3.862 3.960 0.001 0.000 0.218 437 G HA3 -0.099 3.862 3.960 0.001 0.000 0.218 437 G C 0.341 175.264 174.900 0.039 0.000 1.124 437 G CA 0.905 46.027 45.100 0.036 0.000 0.776 437 G HN 0.550 nan 8.290 nan 0.000 0.547 438 K N -1.910 118.407 120.400 -0.139 0.000 2.439 438 K HA 0.336 4.656 4.320 0.001 0.000 0.260 438 K C -1.150 175.029 176.600 -0.702 0.000 1.032 438 K CA -1.179 54.834 56.287 -0.457 0.000 0.882 438 K CB 1.431 33.808 32.500 -0.205 0.000 1.420 438 K HN 0.129 nan 8.250 nan 0.000 0.455 439 W N 0.237 121.083 121.300 -0.756 0.000 2.089 439 W HA 0.037 4.698 4.660 0.001 0.000 0.355 439 W C 1.516 177.914 176.519 -0.201 0.000 1.305 439 W CA 0.174 57.251 57.345 -0.448 0.000 1.281 439 W CB 0.254 29.544 29.460 -0.284 0.000 1.183 439 W HN 0.818 nan 8.180 nan 0.000 0.604 440 A N 1.184 124.123 122.820 0.197 0.000 2.024 440 A HA -0.268 4.052 4.320 0.001 0.000 0.220 440 A C 1.606 179.244 177.584 0.090 0.000 1.164 440 A CA 2.009 54.107 52.037 0.101 0.000 0.643 440 A CB -0.853 18.203 19.000 0.093 0.000 0.806 440 A HN 0.718 nan 8.150 nan 0.000 0.451 441 D N -2.116 118.361 120.400 0.130 0.000 2.352 441 D HA 0.259 4.900 4.640 0.001 0.000 0.232 441 D C 1.159 177.547 176.300 0.146 0.000 1.055 441 D CA 1.015 55.089 54.000 0.124 0.000 0.891 441 D CB -0.575 40.303 40.800 0.130 0.000 0.897 441 D HN 0.781 nan 8.370 nan 0.000 0.529 442 G N -0.542 108.311 108.800 0.088 0.000 2.195 442 G HA2 -0.246 3.715 3.960 0.001 0.000 0.246 442 G HA3 -0.246 3.715 3.960 0.001 0.000 0.246 442 G C 0.129 174.978 174.900 -0.085 0.000 0.984 442 G CA 0.019 45.112 45.100 -0.012 0.000 0.633 442 G HN 0.570 nan 8.290 nan 0.000 0.525 443 H N 1.689 120.693 119.070 -0.111 0.000 2.511 443 H HA 0.330 4.887 4.556 0.001 0.000 0.346 443 H C -2.177 173.109 175.328 -0.069 0.000 1.128 443 H CA -1.150 54.790 56.048 -0.180 0.000 1.342 443 H CB 1.472 30.903 29.762 -0.552 0.000 1.470 443 H HN 0.164 nan 8.280 nan 0.000 0.546 444 P HA -0.004 nan 4.420 nan 0.000 0.272 444 P C -0.668 176.685 177.300 0.088 0.000 1.230 444 P CA -0.016 63.087 63.100 0.005 0.000 0.788 444 P CB 0.361 32.099 31.700 0.063 0.000 0.949 445 Y N -0.048 120.264 120.300 0.021 0.000 2.442 445 Y HA 0.390 4.941 4.550 0.001 0.000 0.330 445 Y C 1.069 177.117 175.900 0.246 0.000 1.129 445 Y CA -0.103 58.051 58.100 0.090 0.000 1.365 445 Y CB 0.042 38.406 38.460 -0.160 0.000 1.233 445 Y HN 0.294 nan 8.280 nan 0.000 0.529 446 A N 4.273 127.336 122.820 0.404 0.000 2.317 446 A HA 0.635 4.956 4.320 0.001 0.000 0.327 446 A C -0.681 176.954 177.584 0.085 0.000 1.178 446 A CA -0.779 51.354 52.037 0.161 0.000 0.817 446 A CB 0.850 19.718 19.000 -0.218 0.000 1.189 446 A HN 0.793 nan 8.150 nan 0.000 0.489 447 Q N 1.022 120.866 119.800 0.072 0.000 2.433 447 Q HA 0.563 4.904 4.340 0.001 0.000 0.279 447 Q C -0.778 175.260 176.000 0.064 0.000 1.105 447 Q CA -0.755 54.965 55.803 -0.138 0.000 0.815 447 Q CB 1.620 30.089 28.738 -0.449 0.000 1.403 447 Q HN 0.836 nan 8.270 nan 0.000 0.435 448 H N 0.482 119.424 119.070 -0.214 0.000 3.480 448 H HA 0.167 4.723 4.556 0.001 0.000 0.257 448 H C -0.762 174.570 175.328 0.006 0.000 1.196 448 H CA -0.217 55.852 56.048 0.034 0.000 1.100 448 H CB 0.546 30.402 29.762 0.158 0.000 1.683 448 H HN 0.891 nan 8.280 nan 0.000 0.702 449 H N 1.432 120.549 119.070 0.078 0.000 2.998 449 H HA 0.056 4.613 4.556 0.001 0.000 0.353 449 H C -0.033 175.302 175.328 0.011 0.000 1.099 449 H CA 0.626 56.702 56.048 0.046 0.000 1.393 449 H CB 0.664 30.448 29.762 0.037 0.000 1.343 449 H HN 0.050 nan 8.280 nan 0.000 0.609 450 K N 1.940 122.451 120.400 0.184 0.000 2.679 450 K HA 0.303 4.623 4.320 0.001 0.000 0.188 450 K C -1.489 175.276 176.600 0.275 0.000 1.055 450 K CA -0.332 56.056 56.287 0.169 0.000 1.006 450 K CB 0.801 33.386 32.500 0.142 0.000 1.317 450 K HN 0.250 nan 8.250 nan 0.000 0.584 451 L N 1.211 122.564 121.223 0.216 0.000 2.362 451 L HA 0.652 4.992 4.340 0.001 0.000 0.275 451 L C -1.403 175.560 176.870 0.154 0.000 0.998 451 L CA -0.841 54.118 54.840 0.198 0.000 0.820 451 L CB 1.921 44.028 42.059 0.080 0.000 1.270 451 L HN 0.187 nan 8.230 nan 0.000 0.415 452 V N 3.560 123.596 119.914 0.203 0.000 2.623 452 V HA 0.693 4.814 4.120 0.001 0.000 0.304 452 V C -0.502 175.681 176.094 0.149 0.000 1.054 452 V CA -0.461 61.911 62.300 0.120 0.000 0.882 452 V CB 1.735 33.597 31.823 0.065 0.000 1.002 452 V HN 0.823 nan 8.190 nan 0.000 0.424 453 S N 3.306 119.057 115.700 0.086 0.000 2.526 453 S HA 0.884 5.354 4.470 0.001 0.000 0.293 453 S C -0.892 173.698 174.600 -0.017 0.000 1.092 453 S CA -0.469 57.786 58.200 0.092 0.000 0.980 453 S CB 1.770 65.016 63.200 0.076 0.000 1.048 453 S HN 1.276 nan 8.310 nan 0.000 0.483 454 V N 1.182 121.038 119.914 -0.097 0.000 2.735 454 V HA 0.663 4.783 4.120 0.001 0.000 0.310 454 V C -0.521 175.351 176.094 -0.371 0.000 1.061 454 V CA -0.694 61.465 62.300 -0.236 0.000 0.913 454 V CB 1.545 33.252 31.823 -0.193 0.000 1.005 454 V HN 0.861 nan 8.190 nan 0.000 0.428 455 D N 1.887 121.907 120.400 -0.633 0.000 2.983 455 D HA -0.202 4.439 4.640 0.001 0.000 0.225 455 D C 0.852 177.012 176.300 -0.233 0.000 1.174 455 D CA 1.482 55.146 54.000 -0.559 0.000 0.831 455 D CB -1.518 39.186 40.800 -0.160 0.000 1.104 455 D HN 1.317 nan 8.370 nan 0.000 0.421 456 S N -2.013 113.625 115.700 -0.104 0.000 3.549 456 S HA -0.277 4.193 4.470 0.001 0.000 0.366 456 S C 1.156 175.782 174.600 0.042 0.000 1.012 456 S CA 1.276 59.525 58.200 0.081 0.000 1.141 456 S CB -1.025 62.279 63.200 0.174 0.000 0.910 456 S HN 0.684 nan 8.310 nan 0.000 0.471 457 S N -1.226 114.457 115.700 -0.027 0.000 3.624 457 S HA 0.311 4.781 4.470 0.001 0.000 0.244 457 S C 0.254 174.815 174.600 -0.065 0.000 1.115 457 S CA 0.759 58.926 58.200 -0.055 0.000 0.820 457 S CB 0.973 64.076 63.200 -0.161 0.000 0.964 457 S HN 0.431 nan 8.310 nan 0.000 0.508 458 T N 2.849 117.280 114.554 -0.204 0.000 2.881 458 T HA 0.700 5.051 4.350 0.001 0.000 0.290 458 T C -1.375 173.297 174.700 -0.047 0.000 1.000 458 T CA -0.452 61.512 62.100 -0.227 0.000 0.978 458 T CB 1.289 69.920 68.868 -0.396 0.000 0.997 458 T HN 0.442 nan 8.240 nan 0.000 0.443 459 F N 0.475 120.389 119.950 -0.060 0.000 2.613 459 F HA 0.746 5.273 4.527 0.001 0.000 0.310 459 F C -1.492 174.348 175.800 0.066 0.000 1.085 459 F CA -1.795 56.210 58.000 0.008 0.000 0.945 459 F CB 1.166 40.187 39.000 0.034 0.000 1.298 459 F HN 0.552 nan 8.300 nan 0.000 0.455 460 Y N 3.187 123.575 120.300 0.147 0.000 2.330 460 Y HA 0.784 5.336 4.550 0.002 0.000 0.336 460 Y C -1.264 174.763 175.900 0.212 0.000 1.036 460 Y CA -1.082 57.070 58.100 0.086 0.000 1.125 460 Y CB 1.115 39.574 38.460 -0.002 0.000 1.194 460 Y HN 0.663 nan 8.280 nan 0.000 0.469 461 I N 6.272 126.612 120.570 -0.383 0.000 2.499 461 I HA 0.725 4.896 4.170 0.001 0.000 0.288 461 I C 0.053 175.730 176.117 -0.732 0.000 1.048 461 I CA -0.430 60.692 61.300 -0.297 0.000 1.062 461 I CB 1.923 39.992 38.000 0.116 0.000 1.238 461 I HN 0.854 nan 8.210 nan 0.000 0.426 462 G N 2.483 110.976 108.800 -0.511 0.000 2.435 462 G HA2 0.228 4.189 3.960 0.001 0.000 0.296 462 G HA3 0.228 4.189 3.960 0.001 0.000 0.296 462 G C -0.086 174.830 174.900 0.026 0.000 1.240 462 G CA 0.264 45.161 45.100 -0.338 0.000 0.872 462 G HN 0.503 nan 8.290 nan 0.000 0.480 463 S N -1.251 114.505 115.700 0.093 0.000 2.511 463 S HA 0.235 4.705 4.470 0.001 0.000 0.214 463 S C 0.776 175.412 174.600 0.060 0.000 0.997 463 S CA 0.545 58.796 58.200 0.085 0.000 0.908 463 S CB 0.234 63.492 63.200 0.096 0.000 0.803 463 S HN 0.490 nan 8.310 nan 0.000 0.504 464 K N 4.079 124.548 120.400 0.116 0.000 2.338 464 K HA 0.232 4.553 4.320 0.001 0.000 0.290 464 K C -0.530 175.976 176.600 -0.156 0.000 1.069 464 K CA -0.268 55.982 56.287 -0.061 0.000 0.941 464 K CB -0.284 32.138 32.500 -0.130 0.000 1.023 464 K HN 0.215 nan 8.250 nan 0.000 0.477 465 N N 4.528 123.050 118.700 -0.297 0.000 2.482 465 N HA 0.019 4.760 4.740 0.001 0.000 0.260 465 N C 0.708 175.993 175.510 -0.376 0.000 1.236 465 N CA -0.022 52.770 53.050 -0.429 0.000 0.938 465 N CB 0.734 38.610 38.487 -1.018 0.000 1.128 465 N HN 0.543 nan 8.380 nan 0.000 0.448 466 L N 0.931 122.019 121.223 -0.224 0.000 2.395 466 L HA -0.028 4.313 4.340 0.001 0.000 0.218 466 L C 0.528 177.381 176.870 -0.029 0.000 1.130 466 L CA 0.246 55.016 54.840 -0.116 0.000 0.826 466 L CB -0.368 41.657 42.059 -0.056 0.000 0.941 466 L HN 0.573 nan 8.230 nan 0.000 0.451 467 Y N -0.706 119.588 120.300 -0.011 0.000 2.326 467 Y HA 0.409 4.961 4.550 0.002 0.000 0.333 467 Y C -2.420 173.439 175.900 -0.068 0.000 1.240 467 Y CA -4.200 53.896 58.100 -0.007 0.000 1.365 467 Y CB -1.133 37.314 38.460 -0.021 0.000 1.289 467 Y HN -0.183 nan 8.280 nan 0.000 0.548 468 P HA 0.114 nan 4.420 nan 0.000 0.262 468 P C -1.079 176.056 177.300 -0.276 0.000 1.182 468 P CA 0.612 63.669 63.100 -0.073 0.000 0.761 468 P CB 0.601 32.246 31.700 -0.092 0.000 0.795 469 S N 1.847 117.297 115.700 -0.416 0.000 2.570 469 S HA 0.377 4.848 4.470 0.001 0.000 0.286 469 S C -1.557 172.928 174.600 -0.192 0.000 1.143 469 S CA -0.867 57.046 58.200 -0.479 0.000 0.921 469 S CB 0.581 63.527 63.200 -0.423 0.000 1.108 469 S HN 0.278 nan 8.310 nan 0.000 0.456 470 W N 3.667 124.907 121.300 -0.100 0.000 1.853 470 W HA 0.552 5.212 4.660 -0.001 0.000 0.290 470 W C -0.775 175.737 176.519 -0.013 0.000 0.821 470 W CA -1.160 56.203 57.345 0.030 0.000 2.222 470 W CB -0.490 28.956 29.460 -0.024 0.000 2.392 470 W HN 0.527 nan 8.180 nan 0.000 0.420 471 L N 0.520 121.804 121.223 0.101 0.000 2.279 471 L HA 0.510 4.851 4.340 0.001 0.000 0.262 471 L C 0.121 177.024 176.870 0.055 0.000 1.019 471 L CA -1.474 53.346 54.840 -0.033 0.000 0.823 471 L CB 1.111 42.996 42.059 -0.289 0.000 1.358 471 L HN -0.259 nan 8.230 nan 0.000 0.432 472 Q N 1.366 121.221 119.800 0.091 0.000 2.307 472 Q HA 0.300 4.641 4.340 0.001 0.000 0.261 472 Q C -1.240 174.891 176.000 0.218 0.000 1.051 472 Q CA 0.320 56.226 55.803 0.171 0.000 0.911 472 Q CB 0.509 29.336 28.738 0.148 0.000 1.227 472 Q HN 0.274 nan 8.270 nan 0.000 0.418 473 D N 1.041 121.553 120.400 0.187 0.000 2.493 473 D HA 0.600 5.240 4.640 0.001 0.000 0.239 473 D C -1.314 175.017 176.300 0.052 0.000 1.049 473 D CA -0.437 53.639 54.000 0.127 0.000 1.008 473 D CB 1.861 42.686 40.800 0.042 0.000 1.398 473 D HN 0.302 nan 8.370 nan 0.000 0.513 474 F N -0.513 119.331 119.950 -0.176 0.000 2.665 474 F HA 0.564 5.091 4.527 0.001 0.000 0.308 474 F C -0.720 174.947 175.800 -0.222 0.000 1.112 474 F CA -0.056 57.721 58.000 -0.371 0.000 0.972 474 F CB 1.927 40.547 39.000 -0.634 0.000 1.295 474 F HN 0.434 nan 8.300 nan 0.000 0.440 475 G N 2.022 110.110 108.800 -1.186 0.000 2.488 475 G HA2 0.440 4.401 3.960 0.001 0.000 0.301 475 G HA3 0.440 4.401 3.960 0.001 0.000 0.301 475 G C -2.579 171.621 174.900 -1.167 0.000 1.339 475 G CA -0.727 43.781 45.100 -0.987 0.000 0.803 475 G HN 0.626 nan 8.290 nan 0.000 0.482 476 Y N -0.551 119.381 120.300 -0.613 0.000 2.393 476 Y HA 0.638 5.189 4.550 0.002 0.000 0.341 476 Y C 0.335 176.051 175.900 -0.306 0.000 0.988 476 Y CA -0.806 57.069 58.100 -0.376 0.000 1.078 476 Y CB 2.424 40.738 38.460 -0.244 0.000 1.203 476 Y HN 0.268 nan 8.280 nan 0.000 0.453 477 I N 4.245 124.814 120.570 -0.003 0.000 2.339 477 I HA 0.380 4.551 4.170 0.001 0.000 0.290 477 I C -1.004 174.971 176.117 -0.236 0.000 0.994 477 I CA -0.851 60.398 61.300 -0.085 0.000 1.191 477 I CB 1.155 39.153 38.000 -0.004 0.000 1.343 477 I HN 0.232 nan 8.210 nan 0.000 0.458 478 V N 5.653 125.245 119.914 -0.537 0.000 2.448 478 V HA 0.289 4.410 4.120 0.001 0.000 0.295 478 V C -0.123 175.613 176.094 -0.597 0.000 1.025 478 V CA -0.630 61.275 62.300 -0.659 0.000 0.859 478 V CB 1.744 32.947 31.823 -1.034 0.000 0.988 478 V HN 0.727 nan 8.190 nan 0.000 0.431 479 E N 3.246 123.255 120.200 -0.318 0.000 2.063 479 E HA 0.557 4.907 4.350 0.001 0.000 0.265 479 E C -0.661 175.860 176.600 -0.133 0.000 0.919 479 E CA -0.105 56.180 56.400 -0.191 0.000 0.756 479 E CB 1.013 30.666 29.700 -0.078 0.000 1.120 479 E HN 0.658 nan 8.360 nan 0.000 0.414 480 S N 5.048 120.697 115.700 -0.086 0.000 2.536 480 S HA 0.292 4.762 4.470 0.001 0.000 0.246 480 S C -2.373 172.266 174.600 0.066 0.000 1.077 480 S CA -1.132 57.057 58.200 -0.019 0.000 1.091 480 S CB 1.044 64.208 63.200 -0.061 0.000 1.148 480 S HN 0.362 nan 8.310 nan 0.000 0.447 481 P HA -0.151 nan 4.420 nan 0.000 0.216 481 P C 1.389 178.743 177.300 0.089 0.000 1.150 481 P CA 0.988 64.132 63.100 0.074 0.000 0.843 481 P CB 0.218 31.950 31.700 0.054 0.000 0.787 482 E N -0.247 119.996 120.200 0.072 0.000 2.038 482 E HA -0.244 4.107 4.350 0.001 0.000 0.195 482 E C 1.907 178.588 176.600 0.136 0.000 1.000 482 E CA 1.532 57.982 56.400 0.083 0.000 0.803 482 E CB -0.555 29.179 29.700 0.057 0.000 0.750 482 E HN 0.090 nan 8.360 nan 0.000 0.448 483 A N 1.041 123.951 122.820 0.150 0.000 1.930 483 A HA -0.042 4.279 4.320 0.001 0.000 0.217 483 A C 2.370 180.133 177.584 0.297 0.000 1.175 483 A CA 1.727 53.918 52.037 0.258 0.000 0.627 483 A CB -0.668 18.371 19.000 0.066 0.000 0.815 483 A HN 0.429 nan 8.150 nan 0.000 0.443 484 A N -0.090 122.893 122.820 0.272 0.000 1.933 484 A HA -0.144 4.176 4.320 0.001 0.000 0.218 484 A C 2.085 179.706 177.584 0.062 0.000 1.175 484 A CA 1.811 53.934 52.037 0.144 0.000 0.628 484 A CB -0.395 18.742 19.000 0.227 0.000 0.814 484 A HN 0.538 nan 8.150 nan 0.000 0.444 485 K N -0.451 120.002 120.400 0.088 0.000 2.097 485 K HA -0.164 4.157 4.320 0.001 0.000 0.206 485 K C 2.293 178.918 176.600 0.041 0.000 1.049 485 K CA 1.633 57.954 56.287 0.056 0.000 0.933 485 K CB -0.185 32.350 32.500 0.059 0.000 0.717 485 K HN 0.620 nan 8.250 nan 0.000 0.442 486 Q N 0.479 120.335 119.800 0.094 0.000 2.084 486 Q HA -0.162 4.179 4.340 0.001 0.000 0.202 486 Q C 2.149 178.126 176.000 -0.038 0.000 0.978 486 Q CA 1.117 56.962 55.803 0.071 0.000 0.844 486 Q CB -0.162 28.706 28.738 0.217 0.000 0.898 486 Q HN 0.192 nan 8.270 nan 0.000 0.426 487 L N 1.259 122.453 121.223 -0.049 0.000 2.046 487 L HA -0.203 4.138 4.340 0.001 0.000 0.208 487 L C 1.421 178.203 176.870 -0.146 0.000 1.077 487 L CA 1.911 56.642 54.840 -0.183 0.000 0.747 487 L CB -0.428 41.432 42.059 -0.332 0.000 0.896 487 L HN 0.091 nan 8.230 nan 0.000 0.432 488 D N 0.120 120.464 120.400 -0.093 0.000 2.084 488 D HA -0.160 4.481 4.640 0.001 0.000 0.194 488 D C 2.191 178.425 176.300 -0.110 0.000 0.990 488 D CA 1.746 55.696 54.000 -0.084 0.000 0.826 488 D CB -0.323 40.451 40.800 -0.044 0.000 0.971 488 D HN 0.505 nan 8.370 nan 0.000 0.453 489 A N 0.835 123.601 122.820 -0.089 0.000 1.933 489 A HA -0.144 4.177 4.320 0.001 0.000 0.218 489 A C 1.963 179.460 177.584 -0.144 0.000 1.175 489 A CA 1.354 53.331 52.037 -0.100 0.000 0.628 489 A CB -0.101 18.863 19.000 -0.061 0.000 0.814 489 A HN 0.009 nan 8.150 nan 0.000 0.444 490 K N -1.514 118.800 120.400 -0.143 0.000 2.323 490 K HA 0.340 4.661 4.320 0.001 0.000 0.197 490 K C 1.411 177.915 176.600 -0.160 0.000 1.043 490 K CA 0.533 56.740 56.287 -0.134 0.000 0.997 490 K CB 0.209 32.636 32.500 -0.121 0.000 0.807 490 K HN 0.554 nan 8.250 nan 0.000 0.497 491 L N -1.249 119.858 121.223 -0.192 0.000 2.692 491 L HA 0.194 4.535 4.340 0.001 0.000 0.175 491 L C 1.574 178.304 176.870 -0.232 0.000 1.112 491 L CA 0.172 54.927 54.840 -0.141 0.000 0.908 491 L CB -0.075 41.971 42.059 -0.022 0.000 1.672 491 L HN -0.128 nan 8.230 nan 0.000 0.500 492 L N 0.679 121.805 121.223 -0.162 0.000 2.093 492 L HA -0.150 4.191 4.340 0.001 0.000 0.208 492 L C 1.925 178.729 176.870 -0.110 0.000 1.085 492 L CA 1.245 56.020 54.840 -0.109 0.000 0.755 492 L CB -0.564 41.447 42.059 -0.081 0.000 0.904 492 L HN 0.354 nan 8.230 nan 0.000 0.435 493 D N -0.218 120.087 120.400 -0.159 0.000 2.084 493 D HA -0.108 4.533 4.640 0.001 0.000 0.196 493 D C -0.452 175.700 176.300 -0.248 0.000 0.985 493 D CA 1.235 55.149 54.000 -0.143 0.000 0.826 493 D CB -1.580 39.134 40.800 -0.144 0.000 0.978 493 D HN 0.233 nan 8.370 nan 0.000 0.456 494 P HA -0.152 nan 4.420 nan 0.000 0.216 494 P C 1.530 178.510 177.300 -0.533 0.000 1.150 494 P CA 1.379 64.075 63.100 -0.673 0.000 0.837 494 P CB -0.087 30.801 31.700 -1.355 0.000 0.786 495 Q N -1.259 118.256 119.800 -0.475 0.000 2.061 495 Q HA -0.197 4.144 4.340 0.001 0.000 0.204 495 Q C 2.103 178.188 176.000 0.143 0.000 0.984 495 Q CA 1.554 57.407 55.803 0.085 0.000 0.846 495 Q CB -0.691 28.212 28.738 0.276 0.000 0.902 495 Q HN 0.323 nan 8.270 nan 0.000 0.421 496 W N 1.532 122.758 121.300 -0.124 0.000 2.436 496 W HA -0.140 4.520 4.660 -0.000 0.000 0.284 496 W C 1.944 178.351 176.519 -0.187 0.000 1.225 496 W CA 1.287 58.563 57.345 -0.115 0.000 1.271 496 W CB 0.058 29.445 29.460 -0.122 0.000 1.114 496 W HN 0.208 nan 8.180 nan 0.000 0.559 497 K N 0.035 120.243 120.400 -0.321 0.000 2.044 497 K HA -0.274 4.046 4.320 0.001 0.000 0.210 497 K C 1.680 177.869 176.600 -0.686 0.000 1.049 497 K CA 2.225 58.166 56.287 -0.577 0.000 0.927 497 K CB -0.800 31.248 32.500 -0.752 0.000 0.713 497 K HN 0.208 nan 8.250 nan 0.000 0.443 498 Y N -0.409 119.732 120.300 -0.265 0.000 2.436 498 Y HA 0.087 4.637 4.550 0.001 0.000 0.288 498 Y C 2.396 178.069 175.900 -0.379 0.000 1.112 498 Y CA 0.421 58.348 58.100 -0.288 0.000 1.220 498 Y CB 0.434 38.742 38.460 -0.252 0.000 1.073 498 Y HN 0.037 nan 8.280 nan 0.000 0.552 499 S N 0.214 115.749 115.700 -0.274 0.000 2.470 499 S HA -0.163 4.308 4.470 0.001 0.000 0.225 499 S C 1.903 176.182 174.600 -0.535 0.000 1.006 499 S CA 0.839 58.863 58.200 -0.293 0.000 0.934 499 S CB -0.286 62.894 63.200 -0.034 0.000 0.778 499 S HN 0.592 nan 8.310 nan 0.000 0.517 500 Q N 1.369 120.565 119.800 -1.008 0.000 2.291 500 Q HA -0.120 4.221 4.340 0.001 0.000 0.206 500 Q C 1.133 176.800 176.000 -0.555 0.000 0.976 500 Q CA 1.076 56.109 55.803 -1.283 0.000 0.875 500 Q CB -0.335 27.457 28.738 -1.577 0.000 0.927 500 Q HN 0.289 nan 8.270 nan 0.000 0.450 501 E N 1.370 121.339 120.200 -0.385 0.000 2.160 501 E HA -0.141 4.210 4.350 0.001 0.000 0.195 501 E C 1.953 178.464 176.600 -0.149 0.000 0.991 501 E CA 1.917 58.185 56.400 -0.220 0.000 0.810 501 E CB -0.266 29.335 29.700 -0.164 0.000 0.742 501 E HN 0.708 nan 8.360 nan 0.000 0.466 502 T N -1.827 112.638 114.554 -0.149 0.000 3.107 502 T HA 0.419 4.770 4.350 0.001 0.000 0.249 502 T C 0.798 175.480 174.700 -0.029 0.000 1.096 502 T CA 0.188 62.248 62.100 -0.067 0.000 1.012 502 T CB 0.057 68.905 68.868 -0.034 0.000 0.977 502 T HN 0.093 nan 8.240 nan 0.000 0.527 503 A N 1.994 124.785 122.820 -0.048 0.000 2.511 503 A HA 0.450 4.771 4.320 0.001 0.000 0.242 503 A C 1.648 179.261 177.584 0.048 0.000 1.069 503 A CA 0.177 52.242 52.037 0.048 0.000 0.763 503 A CB 0.166 19.225 19.000 0.099 0.000 1.001 503 A HN 0.548 nan 8.150 nan 0.000 0.498 504 T N -0.478 114.119 114.554 0.071 0.000 3.051 504 T HA 0.271 4.622 4.350 0.001 0.000 0.255 504 T C 0.318 175.058 174.700 0.067 0.000 1.085 504 T CA 0.745 62.880 62.100 0.057 0.000 1.109 504 T CB -0.176 68.725 68.868 0.055 0.000 0.921 504 T HN 0.450 nan 8.240 nan 0.000 0.488 505 V N 1.761 121.732 119.914 0.095 0.000 2.686 505 V HA 0.656 4.777 4.120 0.001 0.000 0.306 505 V C -1.640 174.536 176.094 0.137 0.000 1.065 505 V CA -0.938 61.422 62.300 0.102 0.000 0.894 505 V CB 1.920 33.802 31.823 0.098 0.000 1.004 505 V HN 0.336 nan 8.190 nan 0.000 0.424 506 D N 2.388 122.856 120.400 0.113 0.000 2.318 506 D HA 0.194 4.834 4.640 0.001 0.000 0.233 506 D C 0.427 176.732 176.300 0.008 0.000 1.348 506 D CA -0.511 53.539 54.000 0.085 0.000 0.983 506 D CB 1.049 41.925 40.800 0.125 0.000 1.416 506 D HN 0.519 nan 8.370 nan 0.000 0.558 507 Y N 2.569 122.894 120.300 0.043 0.000 2.207 507 Y HA -0.043 4.507 4.550 0.000 0.000 0.287 507 Y C 1.803 177.718 175.900 0.024 0.000 1.156 507 Y CA 1.541 59.653 58.100 0.019 0.000 1.182 507 Y CB -0.684 37.773 38.460 -0.005 0.000 0.979 507 Y HN 0.264 nan 8.280 nan 0.000 0.521 508 A N 0.848 123.283 122.820 -0.642 0.000 2.119 508 A HA 0.023 4.343 4.320 0.001 0.000 0.217 508 A C 2.063 179.570 177.584 -0.130 0.000 1.153 508 A CA 1.058 52.859 52.037 -0.393 0.000 0.692 508 A CB -0.393 18.314 19.000 -0.489 0.000 0.799 508 A HN 0.573 nan 8.150 nan 0.000 0.458 509 R N -1.979 118.469 120.500 -0.086 0.000 2.508 509 R HA 0.259 4.599 4.340 0.001 0.000 0.300 509 R C 0.958 177.255 176.300 -0.005 0.000 0.970 509 R CA 0.423 56.504 56.100 -0.032 0.000 1.102 509 R CB 0.397 30.680 30.300 -0.028 0.000 1.246 509 R HN 0.563 nan 8.270 nan 0.000 0.539 510 G N 2.051 110.860 108.800 0.014 0.000 2.179 510 G HA2 -0.283 3.678 3.960 0.001 0.000 0.257 510 G HA3 -0.283 3.678 3.960 0.001 0.000 0.257 510 G C 0.143 175.061 174.900 0.030 0.000 1.010 510 G CA 0.063 45.183 45.100 0.032 0.000 0.736 510 G HN 0.262 nan 8.290 nan 0.000 0.513 511 I N -0.178 120.411 120.570 0.031 0.000 2.371 511 I HA 0.400 4.570 4.170 0.001 0.000 0.290 511 I C 0.754 176.900 176.117 0.047 0.000 1.028 511 I CA -0.332 60.987 61.300 0.032 0.000 1.345 511 I CB 1.441 39.458 38.000 0.027 0.000 1.407 511 I HN 0.177 nan 8.210 nan 0.000 0.501 512 c N 5.642 124.266 118.600 0.039 0.000 3.517 512 c HA 0.494 5.065 4.570 0.001 0.000 0.202 512 c C 0.625 174.735 174.090 0.033 0.000 1.370 512 c CA -0.474 55.880 56.329 0.042 0.000 1.308 512 c CB -0.873 41.661 42.510 0.038 0.000 1.840 512 c HN 0.925 nan 8.230 nan 0.000 0.525 513 G N 2.630 111.450 108.800 0.034 0.000 3.444 513 G HA2 0.711 4.672 3.960 0.001 0.000 0.315 513 G HA3 0.711 4.672 3.960 0.001 0.000 0.315 513 G C 0.048 174.965 174.900 0.029 0.000 1.079 513 G CA 0.769 45.885 45.100 0.027 0.000 1.500 513 G HN 1.522 nan 8.290 nan 0.000 0.518 514 A N 0.000 122.836 122.820 0.026 0.000 2.254 514 A HA 0.000 4.321 4.320 0.001 0.000 0.244 514 A CA 0.000 52.053 52.037 0.027 0.000 0.836 514 A CB 0.000 19.021 19.000 0.036 0.000 0.831 514 A HN 0.000 nan 8.150 nan 0.000 0.486