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 2eyq_1_A DATA FIRST_RESID 2 DATA SEQUENCE PEQYRYTLPV KAGEQRLLGE LTGAACATLV AEIAERHAGP VVLIAPDMQN DATA SEQUENCE ALRLHDEISQ FTDQMVMNLA DWETLPYDSF SPHQDIISSR LSTLYQLPTM DATA SEQUENCE QRGVLIVPVN TLMQRVCPHS FLHGHALVMK KGQRLSRDAL RTQLDSAGYR DATA SEQUENCE HVDQVMEHGE YATRGALLDL FPMGSELPYR LDFFDDEIDS LRVFDVDSQR DATA SEQUENCE TLEEVEAINL LPAHEFPTDK AAIELFRSQW RDTFEVKRDP EHIYQQVSKG DATA SEQUENCE TLPAGIEYWQ PLFFSEPLPP LFSYFPANTL LVNTGDLETS AERFQADTLA DATA SEQUENCE RFENRGVDPM RPLLPPQSLW LRVDELFSEL KNWPRVQLKT EHLPTKAANA DATA SEQUENCE NLGFQKLPDL AVQAQQKAPL DALRKFLETF DGPVVFSVES EGRREALGEL DATA SEQUENCE LARIKIAPQR IMRLDEASDR GRYLMIGAAE HGFVDTVRNL ALICESDLLG DATA SEQUENCE ERVARRRQDS RRTINPDTLI RNLAELHIGQ PVVHLEHGVG RYAGMTTLEA DATA SEQUENCE GGITGEYLML TYANDAKLYV PVSSLHLISR YAGGAEENAP LHKLGGDAWS DATA SEQUENCE RARQKAAEKV RDVAAELLDI YAQRAAKEGF AFKHDREQYQ LFCDSFPFET DATA SEQUENCE TPDQAQAINA VLSDMCQPLA MDRLVCGDVG FGKTEVAMRA AFLAVDNHKQ DATA SEQUENCE VAVLVPTTLL AQQHYDNFRD RFANWPVRIE MISRFRSAKE QTQILAEVAE DATA SEQUENCE GKIDILIGTH KLLQSDVKFK DLGLLIVDEE HRFGVRHKER IKAMRANVDI DATA SEQUENCE LTLTATPIPR TLNMAMSGMR DLSIIATPPA RRLAVKTFVR EYDSMVVREA DATA SEQUENCE ILREILRGGQ VYYLYNDVEN IQKAAERLAE LVPEARIAIG HGQMRERELE DATA SEQUENCE RVMNDFHHQR FNVLVCTTII ETGIDIPTAN TIIIERADHF GLAQLHQLRG DATA SEQUENCE RVGRSHHQAY AWLLTPHPKA MTTDAQKRLE AIASLEDLGA GFALATHDLE DATA SEQUENCE IRGAGELLGE EQSGSMETIG FSLYMELLEN AVDALKAGRE PSLEDLTSQQ DATA SEQUENCE TEVELRMPSL LPDDFIPDVN TRLSFYKRIA SAKTENELEE IKVELIDRFG DATA SEQUENCE LLPDPARTLL DIARLRQQAQ KLGIRKLEGN EKGGVIEFAE KNHVNPAWLI DATA SEQUENCE GLLQKQPQHY RLDGPTRLKF IQDLSERKTR IEWVRQFMRE LEENAI 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.241 177.300 -0.099 0.000 1.155 2 P CA 0.000 63.054 63.100 -0.077 0.000 0.800 2 P CB 0.000 31.667 31.700 -0.055 0.000 0.726 3 E N 2.122 122.271 120.200 -0.085 0.000 2.414 3 E HA 0.126 4.475 4.350 -0.001 0.000 0.263 3 E C 1.066 177.541 176.600 -0.207 0.000 1.000 3 E CA 0.133 56.476 56.400 -0.095 0.000 0.914 3 E CB -0.006 29.670 29.700 -0.040 0.000 0.948 3 E HN 0.287 nan 8.360 nan 0.000 0.444 4 Q N -0.260 119.315 119.800 -0.375 0.000 2.325 4 Q HA -0.113 4.227 4.340 -0.001 0.000 0.211 4 Q C -0.367 175.033 176.000 -1.000 0.000 0.988 4 Q CA 1.470 56.759 55.803 -0.857 0.000 0.887 4 Q CB -0.698 27.213 28.738 -1.378 0.000 0.915 4 Q HN 0.799 nan 8.270 nan 0.000 0.440 5 Y N -5.604 114.591 120.300 -0.175 0.000 2.713 5 Y HA 0.521 5.070 4.550 -0.001 0.000 0.335 5 Y C 1.099 176.884 175.900 -0.192 0.000 1.222 5 Y CA -0.688 57.288 58.100 -0.208 0.000 1.061 5 Y CB -0.222 37.996 38.460 -0.403 0.000 1.314 5 Y HN -0.304 nan 8.280 nan 0.000 0.453 6 R N 0.569 121.128 120.500 0.097 0.000 2.062 6 R HA 0.028 4.367 4.340 -0.001 0.000 0.231 6 R C 0.638 176.972 176.300 0.056 0.000 1.136 6 R CA 1.847 57.993 56.100 0.076 0.000 0.948 6 R CB -1.572 28.787 30.300 0.098 0.000 0.845 6 R HN 0.774 nan 8.270 nan 0.000 0.430 7 Y N 0.140 120.449 120.300 0.015 0.000 2.299 7 Y HA 0.536 5.085 4.550 -0.001 0.000 0.335 7 Y C 0.377 176.230 175.900 -0.078 0.000 1.287 7 Y CA -0.614 57.460 58.100 -0.044 0.000 1.424 7 Y CB 0.830 39.241 38.460 -0.081 0.000 1.326 7 Y HN 0.222 nan 8.280 nan 0.000 0.567 8 T N 0.428 114.971 114.554 -0.018 0.000 2.893 8 T HA 0.576 4.925 4.350 -0.001 0.000 0.293 8 T C -0.887 173.830 174.700 0.029 0.000 1.027 8 T CA -1.022 61.035 62.100 -0.073 0.000 0.988 8 T CB 1.019 69.873 68.868 -0.023 0.000 1.043 8 T HN 0.781 nan 8.240 nan 0.000 0.461 9 L N 3.051 124.276 121.223 0.003 0.000 2.367 9 L HA 0.375 4.715 4.340 -0.001 0.000 0.275 9 L C -2.096 174.783 176.870 0.015 0.000 1.129 9 L CA -1.969 52.883 54.840 0.020 0.000 0.839 9 L CB -0.075 41.978 42.059 -0.010 0.000 1.133 9 L HN 0.446 nan 8.230 nan 0.000 0.453 10 P HA 0.037 nan 4.420 nan 0.000 0.268 10 P C 0.179 177.496 177.300 0.028 0.000 1.205 10 P CA -0.146 62.963 63.100 0.015 0.000 0.771 10 P CB 1.032 32.738 31.700 0.011 0.000 0.858 11 V N -0.338 119.598 119.914 0.037 0.000 3.485 11 V HA 0.225 4.345 4.120 -0.001 0.000 0.280 11 V C 0.802 176.918 176.094 0.037 0.000 1.495 11 V CA 0.857 63.190 62.300 0.054 0.000 1.018 11 V CB -0.148 31.706 31.823 0.052 0.000 0.818 11 V HN 0.557 nan 8.190 nan 0.000 0.436 12 K N 0.677 121.088 120.400 0.018 0.000 2.328 12 K HA 0.900 5.220 4.320 -0.001 0.000 0.246 12 K C 0.107 176.696 176.600 -0.018 0.000 0.955 12 K CA -0.224 56.057 56.287 -0.010 0.000 0.817 12 K CB 1.276 33.767 32.500 -0.015 0.000 1.208 12 K HN 0.536 nan 8.250 nan 0.000 0.432 13 A N 0.068 122.850 122.820 -0.064 0.000 2.580 13 A HA 0.448 4.768 4.320 -0.001 0.000 0.244 13 A C 1.620 179.189 177.584 -0.025 0.000 1.045 13 A CA 1.370 53.360 52.037 -0.078 0.000 0.761 13 A CB -1.263 17.648 19.000 -0.148 0.000 0.962 13 A HN 2.594 nan 8.150 nan 0.000 0.512 14 G N 1.508 110.316 108.800 0.013 0.000 2.143 14 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.248 14 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.248 14 G C 0.099 175.015 174.900 0.026 0.000 0.991 14 G CA 0.599 45.716 45.100 0.028 0.000 0.689 14 G HN 1.124 nan 8.290 nan 0.000 0.522 15 E N 1.186 121.403 120.200 0.027 0.000 1.986 15 E HA 0.319 4.668 4.350 -0.001 0.000 0.264 15 E C 0.698 177.313 176.600 0.025 0.000 1.023 15 E CA -0.589 55.824 56.400 0.021 0.000 0.834 15 E CB 0.187 29.897 29.700 0.017 0.000 1.111 15 E HN 0.432 nan 8.360 nan 0.000 0.417 16 Q N 2.295 122.108 119.800 0.022 0.000 2.317 16 Q HA 0.315 4.654 4.340 -0.001 0.000 0.229 16 Q C -0.122 175.883 176.000 0.008 0.000 0.984 16 Q CA -0.385 55.429 55.803 0.017 0.000 0.911 16 Q CB 0.989 29.738 28.738 0.018 0.000 1.217 16 Q HN 0.278 nan 8.270 nan 0.000 0.501 17 R N 0.552 121.051 120.500 -0.003 0.000 2.570 17 R HA 0.313 4.653 4.340 -0.001 0.000 0.246 17 R C -1.063 175.220 176.300 -0.028 0.000 1.417 17 R CA -0.152 55.946 56.100 -0.003 0.000 1.525 17 R CB -0.348 29.959 30.300 0.013 0.000 1.403 17 R HN 0.535 nan 8.270 nan 0.000 0.754 18 L N 1.627 122.834 121.223 -0.026 0.000 2.653 18 L HA -0.032 4.308 4.340 -0.001 0.000 0.288 18 L C 0.062 176.899 176.870 -0.055 0.000 1.243 18 L CA 1.076 55.893 54.840 -0.039 0.000 0.906 18 L CB 0.093 42.133 42.059 -0.031 0.000 1.154 18 L HN 0.186 nan 8.230 nan 0.000 0.498 19 L N 3.097 124.275 121.223 -0.074 0.000 2.362 19 L HA 0.732 5.072 4.340 -0.001 0.000 0.275 19 L C 0.428 177.274 176.870 -0.040 0.000 0.998 19 L CA -0.434 54.356 54.840 -0.083 0.000 0.820 19 L CB 1.721 43.676 42.059 -0.173 0.000 1.270 19 L HN 0.710 nan 8.230 nan 0.000 0.415 20 G N 0.618 109.408 108.800 -0.017 0.000 3.013 20 G HA2 0.540 4.500 3.960 -0.001 0.000 0.278 20 G HA3 0.540 4.500 3.960 -0.001 0.000 0.278 20 G C -0.652 174.289 174.900 0.069 0.000 1.353 20 G CA -0.491 44.615 45.100 0.012 0.000 1.043 20 G HN 0.836 nan 8.290 nan 0.000 0.523 21 E N -1.265 118.990 120.200 0.091 0.000 2.452 21 E HA -0.189 4.161 4.350 -0.001 0.000 0.155 21 E C -1.065 175.640 176.600 0.176 0.000 1.746 21 E CA 0.329 56.806 56.400 0.128 0.000 0.636 21 E CB -2.021 27.771 29.700 0.154 0.000 1.069 21 E HN 0.342 nan 8.360 nan 0.000 0.335 22 L N 1.683 122.993 121.223 0.146 0.000 2.341 22 L HA 0.676 5.015 4.340 -0.001 0.000 0.267 22 L C 0.655 177.563 176.870 0.063 0.000 1.009 22 L CA -0.774 54.152 54.840 0.143 0.000 0.819 22 L CB 2.231 44.342 42.059 0.088 0.000 1.323 22 L HN 0.426 nan 8.230 nan 0.000 0.425 23 T N -1.064 113.495 114.554 0.009 0.000 2.061 23 T HA 0.322 4.671 4.350 -0.001 0.000 0.190 23 T C 0.901 175.630 174.700 0.049 0.000 0.781 23 T CA 0.214 62.338 62.100 0.039 0.000 1.192 23 T CB -0.084 68.823 68.868 0.065 0.000 2.891 23 T HN 0.702 nan 8.240 nan 0.000 0.450 24 G N 0.824 109.681 108.800 0.096 0.000 2.135 24 G HA2 0.118 4.078 3.960 -0.001 0.000 0.169 24 G HA3 0.118 4.078 3.960 -0.001 0.000 0.169 24 G C 1.380 176.343 174.900 0.105 0.000 1.597 24 G CA 0.617 45.802 45.100 0.142 0.000 0.996 24 G HN 0.835 nan 8.290 nan 0.000 0.373 25 A N 0.249 123.119 122.820 0.083 0.000 2.265 25 A HA 0.334 4.653 4.320 -0.001 0.000 0.203 25 A C 2.356 180.023 177.584 0.138 0.000 1.285 25 A CA 1.762 53.852 52.037 0.089 0.000 0.839 25 A CB -0.904 18.097 19.000 0.002 0.000 0.758 25 A HN 1.100 nan 8.150 nan 0.000 0.502 26 A N -0.326 122.541 122.820 0.077 0.000 1.829 26 A HA -0.208 4.112 4.320 -0.001 0.000 0.216 26 A C 2.317 179.851 177.584 -0.083 0.000 1.207 26 A CA 1.729 53.646 52.037 -0.199 0.000 0.622 26 A CB -1.476 17.312 19.000 -0.354 0.000 0.846 26 A HN 0.751 nan 8.150 nan 0.000 0.447 27 C N -0.524 118.763 119.300 -0.021 0.000 2.385 27 C HA -0.036 4.424 4.460 -0.001 0.000 0.275 27 C C 3.182 178.205 174.990 0.056 0.000 1.207 27 C CA 0.764 59.788 59.018 0.010 0.000 1.760 27 C CB -1.877 25.869 27.740 0.010 0.000 2.051 27 C HN 0.729 nan 8.230 nan 0.000 0.467 28 A N 0.431 123.315 122.820 0.106 0.000 1.873 28 A HA -0.362 3.958 4.320 -0.001 0.000 0.219 28 A C 2.281 180.035 177.584 0.282 0.000 1.269 28 A CA 3.295 55.455 52.037 0.207 0.000 0.671 28 A CB -1.675 17.520 19.000 0.325 0.000 0.842 28 A HN 0.540 nan 8.150 nan 0.000 0.460 29 T N -1.313 113.379 114.554 0.230 0.000 2.929 29 T HA -0.017 4.332 4.350 -0.001 0.000 0.271 29 T C 1.719 176.462 174.700 0.071 0.000 1.085 29 T CA 1.404 63.521 62.100 0.028 0.000 1.125 29 T CB -0.423 68.221 68.868 -0.374 0.000 0.874 29 T HN 0.342 nan 8.240 nan 0.000 0.494 30 L N 0.189 121.451 121.223 0.066 0.000 2.049 30 L HA 0.021 4.361 4.340 -0.001 0.000 0.203 30 L C 2.638 179.527 176.870 0.031 0.000 1.074 30 L CA 0.848 55.718 54.840 0.051 0.000 0.749 30 L CB -0.244 41.821 42.059 0.010 0.000 0.907 30 L HN 0.135 nan 8.230 nan 0.000 0.439 31 V N 0.045 119.976 119.914 0.028 0.000 2.568 31 V HA -0.296 3.824 4.120 -0.001 0.000 0.253 31 V C 2.624 178.743 176.094 0.041 0.000 1.072 31 V CA 1.599 63.905 62.300 0.011 0.000 1.084 31 V CB -0.959 30.867 31.823 0.004 0.000 0.676 31 V HN 0.500 nan 8.190 nan 0.000 0.469 32 A N -0.382 122.492 122.820 0.091 0.000 1.873 32 A HA -0.214 4.105 4.320 -0.001 0.000 0.215 32 A C 2.238 179.885 177.584 0.104 0.000 1.186 32 A CA 1.781 53.888 52.037 0.116 0.000 0.616 32 A CB -0.394 18.731 19.000 0.209 0.000 0.823 32 A HN 0.570 nan 8.150 nan 0.000 0.442 33 E N -0.224 120.043 120.200 0.111 0.000 2.028 33 E HA -0.094 4.256 4.350 -0.001 0.000 0.191 33 E C 1.726 178.388 176.600 0.103 0.000 0.988 33 E CA 1.065 57.542 56.400 0.128 0.000 0.799 33 E CB -0.259 29.545 29.700 0.172 0.000 0.755 33 E HN 0.639 nan 8.360 nan 0.000 0.447 34 I N 0.808 121.418 120.570 0.067 0.000 2.908 34 I HA -0.249 3.921 4.170 -0.001 0.000 0.271 34 I C 2.014 178.151 176.117 0.034 0.000 1.275 34 I CA 0.607 61.924 61.300 0.028 0.000 1.446 34 I CB -0.342 37.632 38.000 -0.044 0.000 1.092 34 I HN 0.104 nan 8.210 nan 0.000 0.482 35 A N 0.382 123.238 122.820 0.060 0.000 2.140 35 A HA 0.024 4.343 4.320 -0.001 0.000 0.209 35 A C 2.079 179.721 177.584 0.097 0.000 1.181 35 A CA 0.058 52.141 52.037 0.075 0.000 0.824 35 A CB 0.008 19.037 19.000 0.049 0.000 0.879 35 A HN 0.404 nan 8.150 nan 0.000 0.480 36 E N 0.559 120.816 120.200 0.096 0.000 2.318 36 E HA -0.054 4.296 4.350 -0.001 0.000 0.193 36 E C 0.519 177.180 176.600 0.102 0.000 0.998 36 E CA 0.329 56.784 56.400 0.093 0.000 0.859 36 E CB -0.126 29.631 29.700 0.095 0.000 0.812 36 E HN 0.714 nan 8.360 nan 0.000 0.492 37 R N 0.986 121.557 120.500 0.118 0.000 2.575 37 R HA 0.444 4.784 4.340 -0.001 0.000 0.281 37 R C -1.087 175.318 176.300 0.175 0.000 1.272 37 R CA -0.539 55.632 56.100 0.118 0.000 1.417 37 R CB -0.083 30.275 30.300 0.097 0.000 1.121 37 R HN -0.026 nan 8.270 nan 0.000 0.583 38 H N 1.537 120.622 119.070 0.025 0.000 5.390 38 H HA 0.105 4.661 4.556 -0.001 0.000 0.781 38 H C -0.004 175.336 175.328 0.020 0.000 1.981 38 H CA 0.214 56.274 56.048 0.019 0.000 1.534 38 H CB 0.167 29.938 29.762 0.015 0.000 4.001 38 H HN 0.486 nan 8.280 nan 0.000 0.559 39 A N 3.367 126.050 122.820 -0.228 0.000 2.054 39 A HA 0.010 4.330 4.320 -0.001 0.000 0.223 39 A C 1.640 179.045 177.584 -0.298 0.000 1.169 39 A CA 1.793 53.708 52.037 -0.204 0.000 0.655 39 A CB -0.600 18.311 19.000 -0.150 0.000 0.812 39 A HN 0.784 nan 8.150 nan 0.000 0.462 40 G N -1.643 106.732 108.800 -0.708 0.000 2.532 40 G HA2 0.498 4.457 3.960 -0.001 0.000 0.291 40 G HA3 0.498 4.457 3.960 -0.001 0.000 0.291 40 G C -2.897 171.971 174.900 -0.053 0.000 1.349 40 G CA -1.299 43.548 45.100 -0.421 0.000 1.038 40 G HN 0.206 nan 8.290 nan 0.000 0.518 41 P HA 0.450 nan 4.420 nan 0.000 0.278 41 P C -0.891 176.465 177.300 0.093 0.000 1.266 41 P CA -0.501 62.633 63.100 0.056 0.000 0.807 41 P CB 1.519 33.216 31.700 -0.006 0.000 1.094 42 V N 1.094 120.997 119.914 -0.018 0.000 2.524 42 V HA 0.187 4.307 4.120 -0.001 0.000 0.297 42 V C -0.361 175.627 176.094 -0.176 0.000 1.035 42 V CA -0.627 61.620 62.300 -0.089 0.000 0.867 42 V CB 2.063 33.850 31.823 -0.060 0.000 1.004 42 V HN 0.179 nan 8.190 nan 0.000 0.426 43 V N 6.300 126.036 119.914 -0.297 0.000 2.334 43 V HA 0.319 4.439 4.120 -0.001 0.000 0.267 43 V C -0.101 175.841 176.094 -0.252 0.000 1.040 43 V CA -0.356 61.726 62.300 -0.365 0.000 0.866 43 V CB 1.410 32.795 31.823 -0.730 0.000 1.019 43 V HN 0.660 nan 8.190 nan 0.000 0.468 44 L N 8.448 129.568 121.223 -0.171 0.000 2.302 44 L HA 0.486 4.826 4.340 -0.001 0.000 0.285 44 L C 0.003 176.805 176.870 -0.114 0.000 1.090 44 L CA 0.324 55.090 54.840 -0.123 0.000 0.866 44 L CB 0.188 42.195 42.059 -0.087 0.000 1.244 44 L HN 0.476 nan 8.230 nan 0.000 0.435 45 I N 5.170 125.671 120.570 -0.114 0.000 2.517 45 I HA 0.258 4.428 4.170 -0.001 0.000 0.285 45 I C 0.728 176.800 176.117 -0.075 0.000 1.106 45 I CA 0.039 61.280 61.300 -0.100 0.000 1.402 45 I CB 0.659 38.606 38.000 -0.088 0.000 1.399 45 I HN 0.770 nan 8.210 nan 0.000 0.535 46 A N 9.744 132.520 122.820 -0.074 0.000 2.312 46 A HA 0.557 4.877 4.320 -0.001 0.000 0.326 46 A C -1.445 176.102 177.584 -0.062 0.000 1.172 46 A CA -1.566 50.436 52.037 -0.059 0.000 0.821 46 A CB 0.641 19.610 19.000 -0.052 0.000 1.166 46 A HN 0.579 nan 8.150 nan 0.000 0.493 47 P HA -0.062 nan 4.420 nan 0.000 0.218 47 P C -0.331 176.935 177.300 -0.057 0.000 1.149 47 P CA 1.428 64.501 63.100 -0.045 0.000 0.817 47 P CB -0.036 31.647 31.700 -0.029 0.000 0.785 48 D N -2.484 117.881 120.400 -0.059 0.000 2.655 48 D HA 0.095 4.735 4.640 -0.001 0.000 0.229 48 D C 0.669 176.931 176.300 -0.063 0.000 1.229 48 D CA -0.950 53.012 54.000 -0.064 0.000 0.807 48 D CB 0.556 41.324 40.800 -0.055 0.000 1.514 48 D HN -0.231 nan 8.370 nan 0.000 0.444 49 M N 0.647 120.208 119.600 -0.065 0.000 2.202 49 M HA -0.230 4.250 4.480 -0.001 0.000 0.262 49 M C 1.461 177.732 176.300 -0.048 0.000 1.063 49 M CA 1.929 57.197 55.300 -0.053 0.000 1.097 49 M CB -0.178 32.396 32.600 -0.045 0.000 1.382 49 M HN 0.425 nan 8.290 nan 0.000 0.413 50 Q N 0.597 120.365 119.800 -0.054 0.000 2.014 50 Q HA -0.199 4.141 4.340 -0.001 0.000 0.207 50 Q C 1.917 177.885 176.000 -0.052 0.000 0.993 50 Q CA 2.363 58.131 55.803 -0.060 0.000 0.850 50 Q CB -0.708 27.991 28.738 -0.067 0.000 0.916 50 Q HN 0.561 nan 8.270 nan 0.000 0.417 51 N N -0.072 118.600 118.700 -0.046 0.000 2.069 51 N HA -0.163 4.577 4.740 -0.001 0.000 0.191 51 N C 1.620 177.116 175.510 -0.023 0.000 1.031 51 N CA 1.513 54.542 53.050 -0.035 0.000 0.852 51 N CB -0.635 37.833 38.487 -0.033 0.000 1.018 51 N HN 0.331 nan 8.380 nan 0.000 0.423 52 A N 1.223 124.029 122.820 -0.024 0.000 1.873 52 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 52 A C 2.271 179.867 177.584 0.020 0.000 1.193 52 A CA 1.354 53.387 52.037 -0.008 0.000 0.629 52 A CB -0.972 18.017 19.000 -0.019 0.000 0.826 52 A HN 0.248 nan 8.150 nan 0.000 0.447 53 L N -0.466 120.758 121.223 0.003 0.000 2.083 53 L HA -0.107 4.233 4.340 -0.001 0.000 0.209 53 L C 2.491 179.373 176.870 0.020 0.000 1.083 53 L CA 2.202 57.045 54.840 0.005 0.000 0.752 53 L CB -0.542 41.501 42.059 -0.027 0.000 0.899 53 L HN 0.462 nan 8.230 nan 0.000 0.433 54 R N -1.263 119.238 120.500 0.001 0.000 2.189 54 R HA -0.054 4.286 4.340 -0.001 0.000 0.218 54 R C 2.162 178.474 176.300 0.019 0.000 1.074 54 R CA 0.846 56.946 56.100 0.000 0.000 0.991 54 R CB -0.061 30.222 30.300 -0.028 0.000 0.883 54 R HN 0.381 nan 8.270 nan 0.000 0.457 55 L N -1.218 120.021 121.223 0.027 0.000 2.095 55 L HA -0.124 4.216 4.340 -0.001 0.000 0.204 55 L C 2.348 179.245 176.870 0.045 0.000 1.080 55 L CA 1.450 56.306 54.840 0.026 0.000 0.759 55 L CB -0.554 41.513 42.059 0.013 0.000 0.914 55 L HN 0.299 nan 8.230 nan 0.000 0.439 56 H N 0.189 119.243 119.070 -0.026 0.000 2.357 56 H HA -0.235 4.321 4.556 -0.001 0.000 0.296 56 H C 1.728 177.035 175.328 -0.036 0.000 1.108 56 H CA 2.196 58.228 56.048 -0.026 0.000 1.273 56 H CB 0.157 29.909 29.762 -0.018 0.000 1.367 56 H HN 0.327 nan 8.280 nan 0.000 0.498 57 D N -0.062 120.455 120.400 0.194 0.000 2.183 57 D HA -0.101 4.538 4.640 -0.001 0.000 0.203 57 D C 1.878 178.152 176.300 -0.045 0.000 0.969 57 D CA 0.932 54.992 54.000 0.100 0.000 0.842 57 D CB -0.012 40.826 40.800 0.063 0.000 0.957 57 D HN 0.649 nan 8.370 nan 0.000 0.484 58 E N 0.744 120.910 120.200 -0.057 0.000 2.016 58 E HA -0.055 4.294 4.350 -0.001 0.000 0.190 58 E C 2.459 178.942 176.600 -0.195 0.000 0.985 58 E CA 0.367 56.690 56.400 -0.129 0.000 0.802 58 E CB 0.020 29.700 29.700 -0.033 0.000 0.762 58 E HN 0.237 nan 8.360 nan 0.000 0.448 59 I N 1.121 121.644 120.570 -0.078 0.000 2.248 59 I HA -0.274 3.895 4.170 -0.001 0.000 0.248 59 I C 2.617 178.668 176.117 -0.110 0.000 1.107 59 I CA 0.813 62.093 61.300 -0.033 0.000 1.373 59 I CB -0.411 37.568 38.000 -0.035 0.000 1.055 59 I HN 0.056 nan 8.210 nan 0.000 0.418 60 S N 0.140 115.740 115.700 -0.167 0.000 2.469 60 S HA -0.255 4.215 4.470 -0.001 0.000 0.238 60 S C 1.995 176.488 174.600 -0.179 0.000 0.998 60 S CA 1.517 59.622 58.200 -0.158 0.000 0.957 60 S CB -0.254 62.864 63.200 -0.136 0.000 0.764 60 S HN 0.530 nan 8.310 nan 0.000 0.514 61 Q N -0.669 118.920 119.800 -0.351 0.000 2.137 61 Q HA 0.067 4.407 4.340 -0.001 0.000 0.198 61 Q C 0.263 176.008 176.000 -0.425 0.000 0.960 61 Q CA 1.005 56.498 55.803 -0.516 0.000 0.847 61 Q CB -0.002 28.173 28.738 -0.939 0.000 0.915 61 Q HN 0.736 nan 8.270 nan 0.000 0.448 62 F N 0.880 120.834 119.950 0.008 0.000 2.916 62 F HA 0.330 4.857 4.527 -0.001 0.000 0.294 62 F C -0.558 175.256 175.800 0.023 0.000 1.189 62 F CA -0.513 57.501 58.000 0.024 0.000 1.369 62 F CB 0.865 39.890 39.000 0.042 0.000 0.961 62 F HN -0.191 nan 8.300 nan 0.000 0.508 63 T N -1.400 113.222 114.554 0.113 0.000 3.003 63 T HA 0.037 4.387 4.350 -0.001 0.000 0.354 63 T C -0.177 174.543 174.700 0.034 0.000 1.651 63 T CA -0.948 61.200 62.100 0.079 0.000 1.103 63 T CB 1.753 70.659 68.868 0.065 0.000 1.450 63 T HN 0.290 nan 8.240 nan 0.000 0.484 64 D N 0.086 120.508 120.400 0.036 0.000 2.340 64 D HA 0.011 4.651 4.640 -0.001 0.000 0.217 64 D C 0.284 176.595 176.300 0.018 0.000 1.081 64 D CA -0.238 53.776 54.000 0.024 0.000 0.842 64 D CB 0.574 41.391 40.800 0.029 0.000 0.934 64 D HN 0.309 nan 8.370 nan 0.000 0.511 65 Q N 0.136 119.946 119.800 0.017 0.000 2.500 65 Q HA 0.180 4.520 4.340 -0.001 0.000 0.215 65 Q C 0.379 176.374 176.000 -0.008 0.000 1.062 65 Q CA -0.219 55.591 55.803 0.011 0.000 0.996 65 Q CB 1.025 29.774 28.738 0.018 0.000 1.239 65 Q HN 0.142 nan 8.270 nan 0.000 0.578 66 M N 1.898 121.493 119.600 -0.008 0.000 2.135 66 M HA 0.167 4.646 4.480 -0.001 0.000 0.345 66 M C -0.872 175.397 176.300 -0.052 0.000 1.340 66 M CA -0.332 54.957 55.300 -0.019 0.000 1.162 66 M CB 0.015 32.616 32.600 0.001 0.000 1.570 66 M HN 0.174 nan 8.290 nan 0.000 0.454 67 V N 5.957 125.804 119.914 -0.111 0.000 2.385 67 V HA 0.418 4.538 4.120 -0.001 0.000 0.269 67 V C 0.368 176.350 176.094 -0.188 0.000 1.043 67 V CA -0.262 61.909 62.300 -0.214 0.000 0.906 67 V CB 1.019 32.595 31.823 -0.412 0.000 0.995 67 V HN 0.845 nan 8.190 nan 0.000 0.467 68 M N 3.881 123.437 119.600 -0.074 0.000 2.821 68 M HA 0.572 5.051 4.480 -0.001 0.000 0.304 68 M C -0.612 175.741 176.300 0.088 0.000 1.233 68 M CA -0.658 54.666 55.300 0.041 0.000 0.851 68 M CB 2.293 34.908 32.600 0.025 0.000 1.723 68 M HN 0.651 nan 8.290 nan 0.000 0.493 69 N N 1.929 120.691 118.700 0.104 0.000 2.425 69 N HA 0.300 5.040 4.740 -0.001 0.000 0.289 69 N C -2.237 173.283 175.510 0.015 0.000 1.074 69 N CA -0.461 52.634 53.050 0.074 0.000 0.905 69 N CB 1.917 40.480 38.487 0.125 0.000 1.586 69 N HN 0.567 nan 8.380 nan 0.000 0.490 70 L N 3.351 124.564 121.223 -0.016 0.000 2.295 70 L HA 0.571 4.910 4.340 -0.001 0.000 0.288 70 L C 0.360 177.207 176.870 -0.038 0.000 1.079 70 L CA -0.176 54.639 54.840 -0.041 0.000 0.830 70 L CB 0.276 42.288 42.059 -0.079 0.000 1.200 70 L HN 0.605 nan 8.230 nan 0.000 0.438 71 A N 3.700 126.508 122.820 -0.020 0.000 2.425 71 A HA 0.315 4.635 4.320 -0.001 0.000 0.242 71 A C -0.293 177.301 177.584 0.016 0.000 1.077 71 A CA -0.333 51.708 52.037 0.006 0.000 0.781 71 A CB 0.159 19.165 19.000 0.010 0.000 1.020 71 A HN 0.767 nan 8.150 nan 0.000 0.494 72 D N 0.092 120.521 120.400 0.048 0.000 2.181 72 D HA 0.342 4.982 4.640 -0.001 0.000 0.248 72 D C 0.573 177.008 176.300 0.226 0.000 1.020 72 D CA -0.507 53.525 54.000 0.053 0.000 0.891 72 D CB 0.400 41.213 40.800 0.022 0.000 1.187 72 D HN 0.472 nan 8.370 nan 0.000 0.443 73 W N 1.582 122.916 121.300 0.055 0.000 2.313 73 W HA -0.107 4.553 4.660 -0.001 0.000 0.293 73 W C 1.038 177.637 176.519 0.133 0.000 1.216 73 W CA 1.179 58.570 57.345 0.078 0.000 1.223 73 W CB -0.750 28.745 29.460 0.060 0.000 1.138 73 W HN 0.713 nan 8.180 nan 0.000 0.535 74 E N -1.673 118.742 120.200 0.359 0.000 3.286 74 E HA -0.201 4.149 4.350 -0.001 0.000 0.292 74 E C 0.209 176.990 176.600 0.302 0.000 0.928 74 E CA 0.878 57.444 56.400 0.277 0.000 0.982 74 E CB -1.364 28.495 29.700 0.265 0.000 1.500 74 E HN 0.246 nan 8.360 nan 0.000 0.441 75 T N -1.536 113.258 114.554 0.401 0.000 2.922 75 T HA 0.649 4.998 4.350 -0.001 0.000 0.281 75 T C -0.042 174.910 174.700 0.420 0.000 1.005 75 T CA -1.007 61.344 62.100 0.418 0.000 0.982 75 T CB 1.665 70.843 68.868 0.517 0.000 1.158 75 T HN 0.018 nan 8.240 nan 0.000 0.566 76 L N 1.806 123.248 121.223 0.365 0.000 2.307 76 L HA 0.464 4.804 4.340 -0.001 0.000 0.282 76 L C -2.451 174.506 176.870 0.146 0.000 1.051 76 L CA -2.528 52.453 54.840 0.235 0.000 0.804 76 L CB 0.672 42.811 42.059 0.133 0.000 1.197 76 L HN 0.425 nan 8.230 nan 0.000 0.431 77 P HA -0.066 nan 4.420 nan 0.000 0.255 77 P C -1.038 175.949 177.300 -0.521 0.000 1.161 77 P CA 0.761 63.641 63.100 -0.366 0.000 0.768 77 P CB -0.209 31.354 31.700 -0.228 0.000 0.746 78 Y N -0.456 119.118 120.300 -1.209 0.000 4.032 78 Y HA -0.265 4.285 4.550 -0.001 0.000 0.230 78 Y C 1.067 176.893 175.900 -0.123 0.000 1.202 78 Y CA 0.281 58.060 58.100 -0.536 0.000 1.878 78 Y CB -2.227 36.084 38.460 -0.249 0.000 1.586 78 Y HN 0.357 nan 8.280 nan 0.000 0.673 79 D N -0.221 120.244 120.400 0.107 0.000 2.369 79 D HA 0.219 4.858 4.640 -0.001 0.000 0.241 79 D C 0.858 177.373 176.300 0.359 0.000 1.271 79 D CA 0.580 54.781 54.000 0.334 0.000 0.942 79 D CB 0.957 42.058 40.800 0.502 0.000 1.129 79 D HN 0.174 nan 8.370 nan 0.000 0.476 80 S N -0.117 115.796 115.700 0.355 0.000 2.574 80 S HA 0.245 4.715 4.470 -0.001 0.000 0.242 80 S C -0.578 173.965 174.600 -0.096 0.000 0.982 80 S CA -0.392 57.894 58.200 0.143 0.000 0.977 80 S CB -0.078 63.151 63.200 0.049 0.000 0.814 80 S HN 0.239 nan 8.310 nan 0.000 0.464 81 F N 0.650 120.747 119.950 0.245 0.000 2.578 81 F HA 0.494 5.021 4.527 -0.001 0.000 0.311 81 F C 0.478 176.378 175.800 0.167 0.000 1.094 81 F CA -0.723 57.417 58.000 0.234 0.000 0.923 81 F CB 1.666 40.865 39.000 0.330 0.000 1.230 81 F HN -0.173 nan 8.300 nan 0.000 0.450 82 S N 2.014 117.849 115.700 0.225 0.000 2.693 82 S HA 0.563 5.033 4.470 -0.001 0.000 0.276 82 S C -2.464 172.173 174.600 0.060 0.000 1.192 82 S CA -1.148 57.074 58.200 0.037 0.000 0.994 82 S CB 1.221 64.397 63.200 -0.040 0.000 1.012 82 S HN 0.240 nan 8.310 nan 0.000 0.550 83 P HA 0.139 nan 4.420 nan 0.000 0.270 83 P C -0.808 176.528 177.300 0.060 0.000 1.223 83 P CA -0.049 63.025 63.100 -0.043 0.000 0.785 83 P CB 0.246 31.759 31.700 -0.310 0.000 0.923 84 H N 0.353 119.433 119.070 0.017 0.000 2.562 84 H HA 0.056 4.612 4.556 -0.001 0.000 0.352 84 H C 1.294 176.596 175.328 -0.044 0.000 1.125 84 H CA -0.231 55.820 56.048 0.005 0.000 1.379 84 H CB 1.016 30.791 29.762 0.023 0.000 1.464 84 H HN 0.373 nan 8.280 nan 0.000 0.563 85 Q N 2.595 122.269 119.800 -0.209 0.000 1.998 85 Q HA -0.229 4.111 4.340 -0.001 0.000 0.209 85 Q C 1.332 177.322 176.000 -0.016 0.000 1.002 85 Q CA 2.222 57.946 55.803 -0.132 0.000 0.858 85 Q CB -0.405 28.216 28.738 -0.194 0.000 0.932 85 Q HN 0.779 nan 8.270 nan 0.000 0.416 86 D N 0.315 120.858 120.400 0.239 0.000 2.239 86 D HA -0.158 4.482 4.640 -0.001 0.000 0.202 86 D C 1.624 177.860 176.300 -0.108 0.000 0.993 86 D CA 1.273 55.300 54.000 0.046 0.000 0.874 86 D CB -0.107 40.821 40.800 0.214 0.000 0.922 86 D HN 0.301 nan 8.370 nan 0.000 0.464 87 I N -0.070 120.501 120.570 0.002 0.000 2.277 87 I HA -0.156 4.014 4.170 -0.001 0.000 0.243 87 I C 2.134 178.236 176.117 -0.025 0.000 1.094 87 I CA 0.645 61.922 61.300 -0.038 0.000 1.393 87 I CB -0.019 38.007 38.000 0.045 0.000 1.078 87 I HN 0.017 nan 8.210 nan 0.000 0.417 88 I N 0.137 120.688 120.570 -0.031 0.000 2.286 88 I HA -0.297 3.873 4.170 -0.001 0.000 0.248 88 I C 2.785 178.826 176.117 -0.127 0.000 1.115 88 I CA 1.480 62.755 61.300 -0.042 0.000 1.392 88 I CB -0.382 37.571 38.000 -0.079 0.000 1.065 88 I HN 0.297 nan 8.210 nan 0.000 0.418 89 S N -0.038 115.497 115.700 -0.275 0.000 2.356 89 S HA -0.223 4.247 4.470 -0.001 0.000 0.223 89 S C 2.271 176.725 174.600 -0.242 0.000 1.032 89 S CA 2.027 59.989 58.200 -0.396 0.000 1.005 89 S CB -0.329 62.300 63.200 -0.952 0.000 0.867 89 S HN 0.390 nan 8.310 nan 0.000 0.449 90 S N 1.229 116.801 115.700 -0.213 0.000 2.353 90 S HA -0.125 4.345 4.470 -0.001 0.000 0.222 90 S C 2.116 176.683 174.600 -0.056 0.000 1.035 90 S CA 1.432 59.556 58.200 -0.128 0.000 1.025 90 S CB -0.485 62.639 63.200 -0.127 0.000 0.902 90 S HN 0.665 nan 8.310 nan 0.000 0.440 91 R N 0.600 121.082 120.500 -0.030 0.000 2.088 91 R HA -0.071 4.269 4.340 -0.001 0.000 0.232 91 R C 2.424 178.740 176.300 0.027 0.000 1.136 91 R CA 1.729 57.832 56.100 0.005 0.000 0.926 91 R CB -1.025 29.306 30.300 0.051 0.000 0.837 91 R HN 0.384 nan 8.270 nan 0.000 0.429 92 L N 0.745 121.990 121.223 0.036 0.000 2.064 92 L HA -0.297 4.042 4.340 -0.001 0.000 0.216 92 L C 2.849 179.785 176.870 0.109 0.000 1.077 92 L CA 1.625 56.514 54.840 0.082 0.000 0.766 92 L CB -0.629 41.448 42.059 0.030 0.000 0.890 92 L HN 0.329 nan 8.230 nan 0.000 0.435 93 S N -0.884 114.847 115.700 0.052 0.000 2.351 93 S HA -0.215 4.255 4.470 -0.001 0.000 0.220 93 S C 1.971 176.660 174.600 0.149 0.000 1.035 93 S CA 2.164 60.421 58.200 0.095 0.000 1.031 93 S CB -0.240 62.984 63.200 0.040 0.000 0.928 93 S HN 0.448 nan 8.310 nan 0.000 0.433 94 T N 3.485 118.090 114.554 0.085 0.000 2.622 94 T HA -0.045 4.305 4.350 -0.001 0.000 0.266 94 T C 1.817 176.580 174.700 0.104 0.000 1.047 94 T CA 1.743 63.888 62.100 0.075 0.000 1.159 94 T CB -0.678 68.203 68.868 0.021 0.000 0.863 94 T HN 0.348 nan 8.240 nan 0.000 0.422 95 L N -0.291 120.976 121.223 0.074 0.000 1.997 95 L HA -0.203 4.137 4.340 -0.001 0.000 0.216 95 L C 2.415 179.501 176.870 0.360 0.000 1.074 95 L CA 2.101 56.992 54.840 0.085 0.000 0.763 95 L CB -0.902 41.145 42.059 -0.019 0.000 0.890 95 L HN 0.263 nan 8.230 nan 0.000 0.434 96 Y N 0.801 121.262 120.300 0.268 0.000 2.139 96 Y HA -0.347 4.203 4.550 -0.001 0.000 0.282 96 Y C 2.868 178.934 175.900 0.276 0.000 1.179 96 Y CA 2.275 60.569 58.100 0.323 0.000 1.161 96 Y CB -0.278 38.302 38.460 0.201 0.000 0.970 96 Y HN 0.239 nan 8.280 nan 0.000 0.511 97 Q N -0.484 119.426 119.800 0.183 0.000 2.302 97 Q HA -0.100 4.239 4.340 -0.001 0.000 0.202 97 Q C 2.199 178.217 176.000 0.030 0.000 0.936 97 Q CA 0.744 56.578 55.803 0.052 0.000 0.886 97 Q CB -0.311 28.501 28.738 0.124 0.000 0.986 97 Q HN 0.533 nan 8.270 nan 0.000 0.487 98 L N 1.927 123.199 121.223 0.082 0.000 2.011 98 L HA -0.194 4.145 4.340 -0.001 0.000 0.225 98 L C -0.915 175.977 176.870 0.036 0.000 1.084 98 L CA 2.455 57.345 54.840 0.083 0.000 0.791 98 L CB -1.821 40.331 42.059 0.155 0.000 0.898 98 L HN 0.134 nan 8.230 nan 0.000 0.440 99 P HA -0.105 nan 4.420 nan 0.000 0.218 99 P C 0.924 178.190 177.300 -0.057 0.000 1.146 99 P CA 1.796 64.827 63.100 -0.116 0.000 0.813 99 P CB -0.136 31.360 31.700 -0.339 0.000 0.778 100 T N -1.720 112.805 114.554 -0.049 0.000 3.186 100 T HA 0.221 4.570 4.350 -0.001 0.000 0.257 100 T C 0.549 175.248 174.700 -0.002 0.000 1.029 100 T CA -0.174 61.911 62.100 -0.025 0.000 0.916 100 T CB -0.623 68.227 68.868 -0.030 0.000 1.041 100 T HN 0.067 nan 8.240 nan 0.000 0.562 101 M N 2.155 121.760 119.600 0.009 0.000 2.251 101 M HA 0.141 4.621 4.480 -0.001 0.000 0.346 101 M C 1.014 177.320 176.300 0.010 0.000 1.499 101 M CA 0.305 55.614 55.300 0.016 0.000 1.128 101 M CB 0.521 33.136 32.600 0.025 0.000 1.809 101 M HN 0.078 nan 8.290 nan 0.000 0.464 102 Q N 3.336 123.139 119.800 0.005 0.000 2.304 102 Q HA 0.216 4.555 4.340 -0.001 0.000 0.204 102 Q C 0.220 176.212 176.000 -0.015 0.000 0.936 102 Q CA 0.682 56.481 55.803 -0.006 0.000 0.878 102 Q CB 0.775 29.509 28.738 -0.006 0.000 0.983 102 Q HN 0.679 nan 8.270 nan 0.000 0.516 103 R N -1.133 119.365 120.500 -0.003 0.000 2.771 103 R HA 0.546 4.886 4.340 -0.001 0.000 0.274 103 R C -1.004 175.302 176.300 0.011 0.000 0.987 103 R CA 0.222 56.324 56.100 0.003 0.000 0.908 103 R CB 2.137 32.439 30.300 0.003 0.000 1.213 103 R HN 0.264 nan 8.270 nan 0.000 0.468 104 G N 0.364 109.176 108.800 0.019 0.000 2.353 104 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.615 104 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.615 104 G C -1.823 173.072 174.900 -0.008 0.000 1.280 104 G CA -0.676 44.428 45.100 0.006 0.000 1.000 104 G HN 0.480 nan 8.290 nan 0.000 0.516 105 V N 0.153 120.049 119.914 -0.030 0.000 2.628 105 V HA 0.826 4.946 4.120 -0.001 0.000 0.306 105 V C -0.147 175.910 176.094 -0.063 0.000 1.045 105 V CA -0.628 61.640 62.300 -0.054 0.000 0.905 105 V CB 1.549 33.338 31.823 -0.058 0.000 0.997 105 V HN 1.277 nan 8.190 nan 0.000 0.436 106 L N 5.402 126.577 121.223 -0.080 0.000 2.410 106 L HA 0.709 5.049 4.340 -0.001 0.000 0.270 106 L C -1.015 175.807 176.870 -0.081 0.000 0.983 106 L CA -0.019 54.780 54.840 -0.067 0.000 0.822 106 L CB 1.716 43.730 42.059 -0.074 0.000 1.285 106 L HN 0.579 nan 8.230 nan 0.000 0.409 107 I N 5.689 126.231 120.570 -0.047 0.000 2.362 107 I HA 0.519 4.688 4.170 -0.001 0.000 0.289 107 I C -0.904 175.178 176.117 -0.059 0.000 0.994 107 I CA -0.834 60.436 61.300 -0.050 0.000 1.158 107 I CB 1.711 39.704 38.000 -0.011 0.000 1.315 107 I HN 0.284 nan 8.210 nan 0.000 0.451 108 V N 7.551 127.412 119.914 -0.090 0.000 2.540 108 V HA 0.425 4.545 4.120 -0.001 0.000 0.302 108 V C -2.440 173.587 176.094 -0.112 0.000 1.035 108 V CA -1.991 60.246 62.300 -0.105 0.000 0.873 108 V CB 1.903 33.646 31.823 -0.133 0.000 0.992 108 V HN 0.524 nan 8.190 nan 0.000 0.428 109 P HA 0.228 nan 4.420 nan 0.000 0.278 109 P C 1.022 178.225 177.300 -0.162 0.000 1.238 109 P CA -0.152 62.872 63.100 -0.126 0.000 0.794 109 P CB 1.134 32.758 31.700 -0.126 0.000 0.955 110 V N 1.920 121.742 119.914 -0.153 0.000 2.380 110 V HA -0.288 3.832 4.120 -0.001 0.000 0.251 110 V C 2.277 178.216 176.094 -0.258 0.000 1.063 110 V CA 2.143 64.343 62.300 -0.166 0.000 1.055 110 V CB -1.194 30.554 31.823 -0.125 0.000 0.657 110 V HN 0.755 nan 8.190 nan 0.000 0.455 111 N N 0.917 119.413 118.700 -0.340 0.000 2.005 111 N HA -0.253 4.487 4.740 -0.001 0.000 0.199 111 N C 1.777 176.990 175.510 -0.495 0.000 1.054 111 N CA 2.972 55.652 53.050 -0.617 0.000 0.864 111 N CB -0.615 37.595 38.487 -0.461 0.000 1.063 111 N HN 0.497 nan 8.380 nan 0.000 0.428 112 T N 1.734 116.102 114.554 -0.310 0.000 2.746 112 T HA -0.129 4.221 4.350 -0.001 0.000 0.267 112 T C 1.945 176.507 174.700 -0.229 0.000 1.039 112 T CA 1.087 63.041 62.100 -0.244 0.000 1.142 112 T CB -0.426 68.325 68.868 -0.196 0.000 0.866 112 T HN 0.237 nan 8.240 nan 0.000 0.444 113 L N 0.565 121.654 121.223 -0.223 0.000 2.187 113 L HA 0.071 4.410 4.340 -0.001 0.000 0.213 113 L C 2.069 178.841 176.870 -0.163 0.000 1.100 113 L CA 1.615 56.307 54.840 -0.246 0.000 0.765 113 L CB -0.557 41.361 42.059 -0.234 0.000 0.904 113 L HN 0.269 nan 8.230 nan 0.000 0.437 114 M N -1.360 118.187 119.600 -0.087 0.000 2.595 114 M HA -0.003 4.477 4.480 -0.001 0.000 0.248 114 M C 0.759 177.152 176.300 0.154 0.000 1.119 114 M CA 0.360 55.696 55.300 0.060 0.000 1.079 114 M CB -0.059 32.591 32.600 0.084 0.000 1.472 114 M HN 0.262 nan 8.290 nan 0.000 0.501 115 Q N 1.818 121.645 119.800 0.045 0.000 2.288 115 Q HA 0.206 4.546 4.340 -0.001 0.000 0.254 115 Q C -0.528 175.364 176.000 -0.181 0.000 0.932 115 Q CA -0.272 55.511 55.803 -0.035 0.000 0.902 115 Q CB 0.923 29.538 28.738 -0.206 0.000 1.203 115 Q HN 0.308 nan 8.270 nan 0.000 0.415 116 R N 1.653 122.012 120.500 -0.235 0.000 2.490 116 R HA 0.334 4.674 4.340 -0.001 0.000 0.278 116 R C -0.413 175.745 176.300 -0.236 0.000 1.069 116 R CA -0.532 55.453 56.100 -0.191 0.000 1.080 116 R CB 0.873 31.080 30.300 -0.155 0.000 1.030 116 R HN 0.365 nan 8.270 nan 0.000 0.491 117 V N 1.651 121.451 119.914 -0.191 0.000 3.211 117 V HA 0.207 4.327 4.120 -0.001 0.000 0.319 117 V C 0.592 176.613 176.094 -0.122 0.000 1.096 117 V CA -0.863 61.319 62.300 -0.197 0.000 1.029 117 V CB 1.701 33.320 31.823 -0.340 0.000 1.137 117 V HN 1.028 nan 8.190 nan 0.000 0.453 118 C N 1.319 120.565 119.300 -0.090 0.000 2.595 118 C HA 0.522 4.982 4.460 -0.001 0.000 0.384 118 C C -2.377 172.636 174.990 0.037 0.000 1.289 118 C CA -1.897 56.999 59.018 -0.205 0.000 2.372 118 C CB -0.371 27.284 27.740 -0.141 0.000 2.593 118 C HN 0.631 nan 8.230 nan 0.000 0.639 119 P HA 0.093 nan 4.420 nan 0.000 0.268 119 P C 0.257 177.718 177.300 0.270 0.000 1.205 119 P CA 0.408 63.559 63.100 0.086 0.000 0.771 119 P CB 0.162 31.872 31.700 0.016 0.000 0.858 120 H N 1.532 120.614 119.070 0.019 0.000 2.567 120 H HA -0.071 4.484 4.556 -0.001 0.000 0.276 120 H C 1.688 177.094 175.328 0.130 0.000 1.016 120 H CA 1.505 57.535 56.048 -0.031 0.000 1.186 120 H CB -0.175 29.325 29.762 -0.437 0.000 1.351 120 H HN 0.318 nan 8.280 nan 0.000 0.605 121 S N -1.019 114.770 115.700 0.149 0.000 2.345 121 S HA -0.187 4.282 4.470 -0.001 0.000 0.219 121 S C 2.131 176.892 174.600 0.269 0.000 1.031 121 S CA 0.807 59.109 58.200 0.170 0.000 0.984 121 S CB -0.857 62.475 63.200 0.220 0.000 0.874 121 S HN 0.386 nan 8.310 nan 0.000 0.451 122 F N 2.668 122.778 119.950 0.267 0.000 2.024 122 F HA -0.156 4.370 4.527 -0.001 0.000 0.296 122 F C 2.125 178.129 175.800 0.340 0.000 1.137 122 F CA 1.987 60.231 58.000 0.407 0.000 1.200 122 F CB -0.817 38.457 39.000 0.456 0.000 0.954 122 F HN 0.196 nan 8.300 nan 0.000 0.497 123 L N -0.879 120.490 121.223 0.244 0.000 1.970 123 L HA -0.302 4.038 4.340 -0.001 0.000 0.212 123 L C 2.583 179.524 176.870 0.119 0.000 1.071 123 L CA 1.962 56.881 54.840 0.131 0.000 0.751 123 L CB -1.169 41.144 42.059 0.423 0.000 0.889 123 L HN 0.265 nan 8.230 nan 0.000 0.432 124 H N -0.219 118.793 119.070 -0.096 0.000 2.390 124 H HA -0.164 4.392 4.556 -0.001 0.000 0.298 124 H C 1.989 177.305 175.328 -0.020 0.000 1.106 124 H CA 1.766 57.776 56.048 -0.064 0.000 1.297 124 H CB -0.245 29.365 29.762 -0.252 0.000 1.375 124 H HN 0.317 nan 8.280 nan 0.000 0.509 125 G N -1.426 107.361 108.800 -0.021 0.000 2.408 125 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.213 125 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.213 125 G C 1.088 175.840 174.900 -0.247 0.000 1.177 125 G CA 0.312 45.328 45.100 -0.140 0.000 0.802 125 G HN 0.493 nan 8.290 nan 0.000 0.533 126 H N 1.126 120.070 119.070 -0.211 0.000 2.556 126 H HA 0.388 4.944 4.556 -0.001 0.000 0.273 126 H C 1.174 176.364 175.328 -0.230 0.000 1.030 126 H CA 0.334 56.230 56.048 -0.254 0.000 1.156 126 H CB -0.050 29.437 29.762 -0.459 0.000 1.326 126 H HN 0.331 nan 8.280 nan 0.000 0.609 127 A N 1.143 123.885 122.820 -0.130 0.000 2.304 127 A HA 0.630 4.950 4.320 -0.001 0.000 0.301 127 A C -0.115 177.385 177.584 -0.140 0.000 1.132 127 A CA -0.305 51.634 52.037 -0.163 0.000 0.819 127 A CB 0.863 19.770 19.000 -0.154 0.000 1.094 127 A HN 0.286 nan 8.150 nan 0.000 0.492 128 L N 0.827 121.966 121.223 -0.140 0.000 2.491 128 L HA 0.682 5.021 4.340 -0.001 0.000 0.254 128 L C -1.005 175.798 176.870 -0.112 0.000 1.048 128 L CA -0.857 53.914 54.840 -0.116 0.000 0.855 128 L CB 2.320 44.313 42.059 -0.110 0.000 1.466 128 L HN 0.494 nan 8.230 nan 0.000 0.409 129 V N 0.739 120.596 119.914 -0.096 0.000 3.130 129 V HA 0.656 4.775 4.120 -0.001 0.000 0.310 129 V C -0.769 175.268 176.094 -0.095 0.000 1.158 129 V CA -0.593 61.651 62.300 -0.094 0.000 1.029 129 V CB 2.378 34.160 31.823 -0.068 0.000 1.057 129 V HN 0.692 nan 8.190 nan 0.000 0.436 130 M N 2.336 121.871 119.600 -0.108 0.000 2.322 130 M HA 0.526 5.005 4.480 -0.001 0.000 0.285 130 M C -1.162 175.070 176.300 -0.114 0.000 1.119 130 M CA -0.452 54.783 55.300 -0.108 0.000 0.953 130 M CB 2.754 35.281 32.600 -0.123 0.000 1.701 130 M HN 0.541 nan 8.290 nan 0.000 0.479 131 K N 0.426 120.770 120.400 -0.094 0.000 2.378 131 K HA 0.470 4.789 4.320 -0.001 0.000 0.244 131 K C 0.322 176.872 176.600 -0.084 0.000 1.039 131 K CA -1.046 55.191 56.287 -0.084 0.000 0.863 131 K CB 1.745 34.210 32.500 -0.058 0.000 1.326 131 K HN 0.443 nan 8.250 nan 0.000 0.460 132 K N 0.373 120.732 120.400 -0.068 0.000 2.476 132 K HA -0.209 4.110 4.320 -0.001 0.000 0.200 132 K C 0.270 176.837 176.600 -0.056 0.000 1.043 132 K CA 1.883 58.134 56.287 -0.059 0.000 0.933 132 K CB -0.402 32.077 32.500 -0.035 0.000 0.752 132 K HN 0.765 nan 8.250 nan 0.000 0.499 133 G N -0.160 108.606 108.800 -0.056 0.000 4.809 133 G HA2 0.030 3.990 3.960 -0.001 0.000 0.225 133 G HA3 0.030 3.990 3.960 -0.001 0.000 0.225 133 G C -1.288 173.589 174.900 -0.039 0.000 1.929 133 G CA -0.596 44.479 45.100 -0.041 0.000 0.616 133 G HN 0.235 nan 8.290 nan 0.000 0.286 134 Q N 0.043 119.808 119.800 -0.057 0.000 2.260 134 Q HA 0.649 4.989 4.340 -0.001 0.000 0.238 134 Q C 0.759 176.745 176.000 -0.023 0.000 0.948 134 Q CA -0.700 55.078 55.803 -0.041 0.000 0.895 134 Q CB 0.788 29.496 28.738 -0.051 0.000 1.218 134 Q HN 0.444 nan 8.270 nan 0.000 0.470 135 R N 2.868 123.359 120.500 -0.014 0.000 4.138 135 R HA 0.298 4.638 4.340 -0.001 0.000 0.206 135 R C -1.077 175.229 176.300 0.010 0.000 1.667 135 R CA -0.085 56.013 56.100 -0.004 0.000 1.481 135 R CB -0.811 29.482 30.300 -0.012 0.000 1.388 135 R HN 0.413 nan 8.270 nan 0.000 0.776 136 L N 1.001 122.251 121.223 0.045 0.000 2.404 136 L HA 0.481 4.820 4.340 -0.001 0.000 0.272 136 L C 0.200 177.170 176.870 0.167 0.000 0.980 136 L CA -0.621 54.263 54.840 0.072 0.000 0.836 136 L CB 2.258 44.354 42.059 0.061 0.000 1.238 136 L HN 0.413 nan 8.230 nan 0.000 0.408 137 S N 4.248 119.989 115.700 0.069 0.000 2.564 137 S HA 0.301 4.771 4.470 -0.001 0.000 0.278 137 S C 1.253 175.772 174.600 -0.135 0.000 1.333 137 S CA -0.273 57.932 58.200 0.008 0.000 1.048 137 S CB 1.056 64.226 63.200 -0.051 0.000 0.900 137 S HN 0.844 nan 8.310 nan 0.000 0.505 138 R N 1.691 121.859 120.500 -0.553 0.000 2.112 138 R HA -0.191 4.148 4.340 -0.001 0.000 0.242 138 R C 0.865 176.923 176.300 -0.403 0.000 1.137 138 R CA 2.542 58.080 56.100 -0.937 0.000 0.944 138 R CB -0.824 28.667 30.300 -1.349 0.000 0.857 138 R HN 0.838 nan 8.270 nan 0.000 0.435 139 D N -0.534 119.698 120.400 -0.281 0.000 2.403 139 D HA -0.062 4.577 4.640 -0.001 0.000 0.227 139 D C 1.237 177.455 176.300 -0.136 0.000 0.995 139 D CA 0.887 54.783 54.000 -0.175 0.000 0.928 139 D CB 0.223 40.950 40.800 -0.122 0.000 0.887 139 D HN 0.393 nan 8.370 nan 0.000 0.529 140 A N 0.156 122.897 122.820 -0.131 0.000 1.859 140 A HA 0.019 4.339 4.320 -0.001 0.000 0.212 140 A C 1.891 179.407 177.584 -0.114 0.000 1.238 140 A CA 0.257 52.238 52.037 -0.094 0.000 0.613 140 A CB -0.827 18.137 19.000 -0.061 0.000 0.904 140 A HN 0.236 nan 8.150 nan 0.000 0.457 141 L N 0.449 121.605 121.223 -0.112 0.000 2.089 141 L HA -0.207 4.132 4.340 -0.001 0.000 0.213 141 L C 2.436 179.153 176.870 -0.256 0.000 1.079 141 L CA 2.477 57.233 54.840 -0.140 0.000 0.758 141 L CB -0.584 41.439 42.059 -0.060 0.000 0.891 141 L HN 0.483 nan 8.230 nan 0.000 0.433 142 R N -1.163 119.175 120.500 -0.270 0.000 2.105 142 R HA -0.163 4.176 4.340 -0.001 0.000 0.239 142 R C 1.831 177.956 176.300 -0.292 0.000 1.135 142 R CA 2.069 57.949 56.100 -0.368 0.000 0.967 142 R CB -0.451 29.716 30.300 -0.222 0.000 0.861 142 R HN 0.491 nan 8.270 nan 0.000 0.442 143 T N 0.387 114.837 114.554 -0.174 0.000 2.896 143 T HA -0.080 4.269 4.350 -0.001 0.000 0.263 143 T C 1.722 176.359 174.700 -0.106 0.000 1.050 143 T CA 0.865 62.902 62.100 -0.105 0.000 1.140 143 T CB -0.043 68.785 68.868 -0.066 0.000 0.877 143 T HN 0.347 nan 8.240 nan 0.000 0.457 144 Q N 0.609 120.329 119.800 -0.134 0.000 2.020 144 Q HA -0.034 4.306 4.340 -0.001 0.000 0.202 144 Q C 2.278 178.189 176.000 -0.148 0.000 0.982 144 Q CA 1.259 56.992 55.803 -0.116 0.000 0.838 144 Q CB -0.360 28.302 28.738 -0.126 0.000 0.899 144 Q HN 0.454 nan 8.270 nan 0.000 0.423 145 L N 0.812 121.860 121.223 -0.292 0.000 2.089 145 L HA -0.275 4.064 4.340 -0.001 0.000 0.213 145 L C 1.967 178.775 176.870 -0.104 0.000 1.079 145 L CA 1.177 55.782 54.840 -0.391 0.000 0.758 145 L CB -0.608 40.933 42.059 -0.863 0.000 0.891 145 L HN 0.320 nan 8.230 nan 0.000 0.433 146 D N -0.472 119.882 120.400 -0.076 0.000 2.219 146 D HA -0.120 4.520 4.640 -0.001 0.000 0.205 146 D C 2.355 178.701 176.300 0.077 0.000 0.970 146 D CA 1.636 55.677 54.000 0.069 0.000 0.851 146 D CB 0.169 41.003 40.800 0.057 0.000 0.943 146 D HN 0.437 nan 8.370 nan 0.000 0.488 147 S N 0.970 116.697 115.700 0.044 0.000 2.362 147 S HA -0.011 4.458 4.470 -0.001 0.000 0.221 147 S C 2.284 176.939 174.600 0.092 0.000 1.032 147 S CA 0.926 59.165 58.200 0.065 0.000 0.973 147 S CB -0.293 62.938 63.200 0.051 0.000 0.849 147 S HN 0.159 nan 8.310 nan 0.000 0.465 148 A N 1.479 124.363 122.820 0.106 0.000 2.139 148 A HA 0.301 4.621 4.320 -0.001 0.000 0.221 148 A C 1.896 179.566 177.584 0.143 0.000 1.159 148 A CA 1.378 53.513 52.037 0.163 0.000 0.662 148 A CB -1.591 17.567 19.000 0.262 0.000 0.796 148 A HN 1.805 nan 8.150 nan 0.000 0.463 149 G N -3.358 105.533 108.800 0.151 0.000 2.142 149 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.225 149 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.225 149 G C -0.098 174.784 174.900 -0.030 0.000 1.015 149 G CA 0.161 45.289 45.100 0.046 0.000 0.716 149 G HN 0.412 nan 8.290 nan 0.000 0.508 150 Y N -0.253 120.047 120.300 0.001 0.000 2.289 150 Y HA 0.702 5.252 4.550 -0.001 0.000 0.332 150 Y C 1.419 177.414 175.900 0.159 0.000 1.324 150 Y CA -0.601 57.542 58.100 0.071 0.000 1.478 150 Y CB 0.633 39.208 38.460 0.193 0.000 1.378 150 Y HN 0.158 nan 8.280 nan 0.000 0.558 151 R N 0.102 120.769 120.500 0.278 0.000 2.494 151 R HA 0.219 4.559 4.340 -0.001 0.000 0.305 151 R C -1.116 175.159 176.300 -0.042 0.000 0.959 151 R CA -0.765 55.415 56.100 0.132 0.000 0.864 151 R CB 1.012 31.339 30.300 0.045 0.000 1.159 151 R HN 0.736 nan 8.270 nan 0.000 0.446 152 H N 2.593 121.487 119.070 -0.294 0.000 2.767 152 H HA 0.277 4.833 4.556 -0.001 0.000 0.316 152 H C -0.588 174.549 175.328 -0.319 0.000 1.059 152 H CA -0.428 55.237 56.048 -0.639 0.000 1.461 152 H CB 0.660 30.199 29.762 -0.373 0.000 1.475 152 H HN 0.158 nan 8.280 nan 0.000 0.531 153 V N 4.272 124.070 119.914 -0.193 0.000 3.156 153 V HA 0.013 4.133 4.120 -0.001 0.000 0.311 153 V C 0.696 176.682 176.094 -0.180 0.000 1.208 153 V CA -0.662 61.541 62.300 -0.162 0.000 1.063 153 V CB 2.002 33.787 31.823 -0.064 0.000 1.098 153 V HN 0.857 nan 8.190 nan 0.000 0.452 154 D N -0.353 119.973 120.400 -0.123 0.000 2.290 154 D HA -0.049 4.591 4.640 -0.001 0.000 0.224 154 D C 1.607 177.881 176.300 -0.043 0.000 0.967 154 D CA 1.238 55.185 54.000 -0.089 0.000 0.893 154 D CB 0.656 41.418 40.800 -0.063 0.000 1.037 154 D HN 0.589 nan 8.370 nan 0.000 0.477 155 Q N 0.515 120.300 119.800 -0.026 0.000 2.204 155 Q HA 0.076 4.416 4.340 -0.001 0.000 0.198 155 Q C 0.338 176.343 176.000 0.007 0.000 0.946 155 Q CA 0.572 56.365 55.803 -0.017 0.000 0.859 155 Q CB 0.265 29.003 28.738 0.000 0.000 0.946 155 Q HN 0.013 nan 8.270 nan 0.000 0.474 156 V N 1.241 121.176 119.914 0.034 0.000 3.964 156 V HA -0.200 3.919 4.120 -0.001 0.000 0.444 156 V C -0.054 176.089 176.094 0.083 0.000 0.680 156 V CA 0.845 63.200 62.300 0.091 0.000 1.854 156 V CB -0.661 31.258 31.823 0.161 0.000 2.264 156 V HN 0.531 nan 8.190 nan 0.000 0.491 157 M N 2.957 122.600 119.600 0.073 0.000 2.564 157 M HA 0.367 4.846 4.480 -0.001 0.000 0.254 157 M C 0.750 177.134 176.300 0.139 0.000 1.299 157 M CA 0.884 56.213 55.300 0.048 0.000 1.143 157 M CB 0.377 32.998 32.600 0.035 0.000 1.427 157 M HN 0.821 nan 8.290 nan 0.000 0.538 158 E N -0.406 119.918 120.200 0.206 0.000 2.281 158 E HA 0.356 4.706 4.350 -0.001 0.000 0.262 158 E C -0.970 175.778 176.600 0.245 0.000 0.933 158 E CA -0.723 55.813 56.400 0.227 0.000 0.809 158 E CB 1.227 30.957 29.700 0.051 0.000 1.242 158 E HN 0.174 nan 8.360 nan 0.000 0.418 159 H N -0.331 118.601 119.070 -0.232 0.000 2.929 159 H HA 0.180 4.736 4.556 -0.001 0.000 0.358 159 H C 1.237 176.447 175.328 -0.198 0.000 1.111 159 H CA 1.957 57.675 56.048 -0.551 0.000 1.409 159 H CB 0.491 29.880 29.762 -0.622 0.000 1.373 159 H HN 0.830 nan 8.280 nan 0.000 0.610 160 G N 1.127 109.933 108.800 0.010 0.000 2.159 160 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.256 160 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.256 160 G C -0.085 174.900 174.900 0.142 0.000 0.977 160 G CA 0.384 45.373 45.100 -0.186 0.000 0.652 160 G HN 0.628 nan 8.290 nan 0.000 0.531 161 E N -1.058 119.336 120.200 0.324 0.000 2.281 161 E HA 0.746 5.096 4.350 -0.001 0.000 0.262 161 E C -0.570 176.283 176.600 0.422 0.000 0.933 161 E CA -1.099 55.484 56.400 0.305 0.000 0.809 161 E CB 1.739 31.540 29.700 0.168 0.000 1.242 161 E HN 0.733 nan 8.360 nan 0.000 0.418 162 Y N -1.549 118.884 120.300 0.223 0.000 2.552 162 Y HA 0.766 5.315 4.550 -0.001 0.000 0.337 162 Y C -1.739 174.277 175.900 0.193 0.000 1.094 162 Y CA -1.151 57.049 58.100 0.167 0.000 1.028 162 Y CB 1.028 39.528 38.460 0.067 0.000 1.321 162 Y HN 0.614 nan 8.280 nan 0.000 0.456 163 A N 1.657 124.573 122.820 0.160 0.000 2.423 163 A HA 0.868 5.187 4.320 -0.001 0.000 0.304 163 A C -1.090 176.607 177.584 0.188 0.000 1.104 163 A CA -0.935 51.176 52.037 0.123 0.000 0.757 163 A CB 1.665 20.691 19.000 0.043 0.000 1.313 163 A HN 0.779 nan 8.150 nan 0.000 0.423 164 T N 1.145 115.843 114.554 0.240 0.000 2.797 164 T HA 0.637 4.987 4.350 -0.001 0.000 0.279 164 T C -0.383 174.376 174.700 0.098 0.000 0.991 164 T CA -0.259 61.947 62.100 0.177 0.000 0.979 164 T CB 0.793 69.802 68.868 0.234 0.000 0.943 164 T HN 0.559 nan 8.240 nan 0.000 0.444 165 R N 2.070 122.601 120.500 0.052 0.000 2.837 165 R HA 0.481 4.821 4.340 -0.001 0.000 0.245 165 R C 0.907 177.240 176.300 0.055 0.000 1.712 165 R CA -0.294 55.833 56.100 0.045 0.000 1.539 165 R CB 0.854 31.149 30.300 -0.008 0.000 1.490 165 R HN 0.992 nan 8.270 nan 0.000 0.667 166 G N 1.367 110.205 108.800 0.063 0.000 2.583 166 G HA2 -0.468 3.491 3.960 -0.001 0.000 0.292 166 G HA3 -0.468 3.491 3.960 -0.001 0.000 0.292 166 G C 1.073 176.010 174.900 0.062 0.000 1.203 166 G CA 0.375 45.519 45.100 0.072 0.000 0.987 166 G HN 0.556 nan 8.290 nan 0.000 0.554 167 A N -0.925 121.952 122.820 0.094 0.000 2.084 167 A HA 0.286 4.606 4.320 -0.001 0.000 0.221 167 A C 1.224 178.901 177.584 0.155 0.000 1.161 167 A CA 2.309 54.418 52.037 0.121 0.000 0.653 167 A CB -0.291 18.790 19.000 0.136 0.000 0.802 167 A HN 1.040 nan 8.150 nan 0.000 0.457 168 L N -1.292 119.993 121.223 0.104 0.000 2.334 168 L HA 0.611 4.951 4.340 -0.001 0.000 0.270 168 L C -0.242 176.692 176.870 0.106 0.000 1.018 168 L CA -0.405 54.501 54.840 0.109 0.000 0.811 168 L CB 1.681 43.738 42.059 -0.003 0.000 1.271 168 L HN 0.174 nan 8.230 nan 0.000 0.443 169 L N 1.865 123.187 121.223 0.164 0.000 2.439 169 L HA 0.502 4.842 4.340 -0.001 0.000 0.270 169 L C -1.667 175.291 176.870 0.148 0.000 0.972 169 L CA -0.296 54.649 54.840 0.176 0.000 0.836 169 L CB 1.643 43.877 42.059 0.292 0.000 1.255 169 L HN 0.539 nan 8.230 nan 0.000 0.404 170 D N 5.496 125.975 120.400 0.131 0.000 2.256 170 D HA 0.657 5.296 4.640 -0.001 0.000 0.240 170 D C -0.388 176.091 176.300 0.298 0.000 1.062 170 D CA 0.154 54.258 54.000 0.173 0.000 0.832 170 D CB 1.895 42.706 40.800 0.019 0.000 1.135 170 D HN 0.582 nan 8.370 nan 0.000 0.484 171 L N -0.551 120.880 121.223 0.348 0.000 2.434 171 L HA 0.618 4.958 4.340 -0.001 0.000 0.260 171 L C -1.476 175.613 176.870 0.366 0.000 0.983 171 L CA -0.936 54.106 54.840 0.338 0.000 0.820 171 L CB 2.434 44.622 42.059 0.215 0.000 1.361 171 L HN 0.294 nan 8.230 nan 0.000 0.410 172 F N 4.751 124.818 119.950 0.194 0.000 2.366 172 F HA 0.486 5.012 4.527 -0.001 0.000 0.357 172 F C -2.121 173.841 175.800 0.270 0.000 1.107 172 F CA -2.410 55.651 58.000 0.103 0.000 1.208 172 F CB 1.469 40.447 39.000 -0.036 0.000 1.464 172 F HN 0.398 nan 8.300 nan 0.000 0.501 173 P HA -0.085 nan 4.420 nan 0.000 0.268 173 P C 0.679 178.164 177.300 0.308 0.000 1.204 173 P CA -0.202 63.137 63.100 0.397 0.000 0.768 173 P CB 0.982 32.838 31.700 0.259 0.000 0.842 174 M N 3.297 123.030 119.600 0.222 0.000 2.108 174 M HA -0.119 4.361 4.480 -0.001 0.000 0.257 174 M C 2.184 178.436 176.300 -0.080 0.000 1.071 174 M CA 2.312 57.593 55.300 -0.031 0.000 1.093 174 M CB -2.216 30.308 32.600 -0.126 0.000 1.345 174 M HN 0.557 nan 8.290 nan 0.000 0.403 175 G N -1.135 107.659 108.800 -0.010 0.000 2.650 175 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.214 175 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.214 175 G C 0.877 175.809 174.900 0.054 0.000 1.136 175 G CA 0.292 45.383 45.100 -0.016 0.000 0.789 175 G HN 0.454 nan 8.290 nan 0.000 0.536 176 S N -0.995 114.796 115.700 0.150 0.000 2.672 176 S HA 0.368 4.837 4.470 -0.001 0.000 0.276 176 S C 1.159 175.935 174.600 0.292 0.000 1.207 176 S CA -0.591 57.755 58.200 0.243 0.000 1.002 176 S CB 1.299 64.742 63.200 0.405 0.000 0.998 176 S HN 0.126 nan 8.310 nan 0.000 0.542 177 E N 0.525 120.870 120.200 0.242 0.000 2.086 177 E HA 0.134 4.484 4.350 -0.001 0.000 0.190 177 E C 0.422 177.193 176.600 0.286 0.000 0.975 177 E CA 0.712 57.243 56.400 0.219 0.000 0.813 177 E CB -0.105 29.668 29.700 0.122 0.000 0.768 177 E HN 0.632 nan 8.360 nan 0.000 0.457 178 L N -1.002 120.323 121.223 0.171 0.000 2.333 178 L HA 0.650 4.990 4.340 -0.001 0.000 0.263 178 L C -2.654 173.977 176.870 -0.398 0.000 1.014 178 L CA -2.449 52.320 54.840 -0.119 0.000 0.820 178 L CB 2.004 43.890 42.059 -0.288 0.000 1.352 178 L HN -0.279 nan 8.230 nan 0.000 0.421 179 P HA 0.260 nan 4.420 nan 0.000 0.274 179 P C -1.698 174.969 177.300 -1.055 0.000 1.246 179 P CA 0.034 62.489 63.100 -1.076 0.000 0.795 179 P CB 0.712 31.349 31.700 -1.770 0.000 1.006 180 Y N -0.615 119.653 120.300 -0.054 0.000 2.446 180 Y HA 0.509 5.058 4.550 -0.001 0.000 0.345 180 Y C 0.986 177.118 175.900 0.386 0.000 0.984 180 Y CA -0.713 57.493 58.100 0.178 0.000 1.058 180 Y CB 2.332 40.847 38.460 0.092 0.000 1.220 180 Y HN 0.224 nan 8.280 nan 0.000 0.455 181 R N 3.852 124.607 120.500 0.425 0.000 2.337 181 R HA 0.446 4.785 4.340 -0.001 0.000 0.319 181 R C -0.272 176.099 176.300 0.117 0.000 0.954 181 R CA -0.195 55.994 56.100 0.148 0.000 0.840 181 R CB 0.634 30.863 30.300 -0.118 0.000 1.164 181 R HN 0.909 nan 8.270 nan 0.000 0.472 182 L N 1.767 123.054 121.223 0.106 0.000 1.947 182 L HA 0.073 4.413 4.340 -0.001 0.000 0.211 182 L C 0.015 176.863 176.870 -0.036 0.000 1.098 182 L CA 0.952 55.798 54.840 0.010 0.000 0.767 182 L CB -0.286 41.768 42.059 -0.008 0.000 0.891 182 L HN 0.782 nan 8.230 nan 0.000 0.436 183 D N -1.994 118.448 120.400 0.070 0.000 7.133 183 D HA -0.123 4.517 4.640 -0.001 0.000 0.241 183 D C -1.188 175.137 176.300 0.042 0.000 2.017 183 D CA 0.057 54.129 54.000 0.119 0.000 1.860 183 D CB -0.656 40.163 40.800 0.032 0.000 0.718 183 D HN -0.050 nan 8.370 nan 0.000 0.425 184 F N 3.107 123.095 119.950 0.063 0.000 2.497 184 F HA 0.818 5.344 4.527 -0.001 0.000 0.331 184 F C 0.127 176.040 175.800 0.188 0.000 1.060 184 F CA -0.867 57.189 58.000 0.092 0.000 0.989 184 F CB 1.302 40.331 39.000 0.049 0.000 1.245 184 F HN 0.267 nan 8.300 nan 0.000 0.486 185 F N 2.198 122.256 119.950 0.181 0.000 2.730 185 F HA 0.277 4.804 4.527 -0.001 0.000 0.335 185 F C -0.449 175.407 175.800 0.093 0.000 1.212 185 F CA -1.377 56.684 58.000 0.101 0.000 1.016 185 F CB 0.546 39.572 39.000 0.044 0.000 1.290 185 F HN 0.596 nan 8.300 nan 0.000 0.495 186 D N 5.482 125.663 120.400 -0.364 0.000 3.218 186 D HA -0.245 4.395 4.640 -0.001 0.000 0.213 186 D C 0.450 176.607 176.300 -0.237 0.000 1.192 186 D CA 1.816 55.562 54.000 -0.423 0.000 0.940 186 D CB -0.195 40.118 40.800 -0.812 0.000 0.841 186 D HN 0.928 nan 8.370 nan 0.000 0.391 187 D N -0.812 119.550 120.400 -0.063 0.000 3.043 187 D HA -0.251 4.389 4.640 -0.001 0.000 0.215 187 D C 0.357 176.692 176.300 0.058 0.000 1.165 187 D CA 1.978 55.983 54.000 0.008 0.000 0.953 187 D CB -0.783 39.993 40.800 -0.039 0.000 1.115 187 D HN 0.822 nan 8.370 nan 0.000 0.392 188 E N 0.240 120.457 120.200 0.028 0.000 2.165 188 E HA 0.575 4.924 4.350 -0.001 0.000 0.266 188 E C 0.288 176.902 176.600 0.022 0.000 0.889 188 E CA -0.592 55.821 56.400 0.022 0.000 0.756 188 E CB 0.585 30.271 29.700 -0.024 0.000 1.131 188 E HN 0.357 nan 8.360 nan 0.000 0.411 189 I N 3.464 123.966 120.570 -0.112 0.000 2.769 189 I HA -0.098 4.071 4.170 -0.001 0.000 0.285 189 I C 1.314 177.302 176.117 -0.215 0.000 1.173 189 I CA 0.228 61.272 61.300 -0.427 0.000 1.389 189 I CB 0.506 38.244 38.000 -0.437 0.000 1.404 189 I HN 0.826 nan 8.210 nan 0.000 0.544 190 D N 4.948 125.249 120.400 -0.165 0.000 2.087 190 D HA -0.086 4.554 4.640 -0.001 0.000 0.210 190 D C 0.722 176.972 176.300 -0.083 0.000 0.973 190 D CA 1.229 55.206 54.000 -0.039 0.000 0.882 190 D CB 0.403 41.213 40.800 0.016 0.000 1.019 190 D HN 0.562 nan 8.370 nan 0.000 0.450 191 S N -0.413 115.230 115.700 -0.095 0.000 2.677 191 S HA 0.634 5.103 4.470 -0.001 0.000 0.304 191 S C -0.589 173.969 174.600 -0.071 0.000 1.108 191 S CA -1.019 57.140 58.200 -0.069 0.000 0.944 191 S CB 2.123 65.302 63.200 -0.035 0.000 1.127 191 S HN 0.195 nan 8.310 nan 0.000 0.511 192 L N 1.554 122.761 121.223 -0.028 0.000 2.333 192 L HA 0.616 4.955 4.340 -0.001 0.000 0.280 192 L C 0.033 176.965 176.870 0.103 0.000 1.004 192 L CA -0.310 54.543 54.840 0.023 0.000 0.820 192 L CB 1.270 43.318 42.059 -0.017 0.000 1.247 192 L HN 0.819 nan 8.230 nan 0.000 0.416 193 R N 1.641 122.244 120.500 0.172 0.000 2.628 193 R HA 0.611 4.950 4.340 -0.001 0.000 0.288 193 R C -0.880 175.549 176.300 0.216 0.000 0.980 193 R CA -0.818 55.382 56.100 0.167 0.000 0.891 193 R CB 3.225 33.578 30.300 0.088 0.000 1.188 193 R HN 0.283 nan 8.270 nan 0.000 0.450 194 V N 3.908 123.884 119.914 0.104 0.000 2.834 194 V HA 0.437 4.557 4.120 -0.001 0.000 0.301 194 V C -0.467 175.623 176.094 -0.007 0.000 1.066 194 V CA 0.232 62.449 62.300 -0.140 0.000 1.052 194 V CB 0.870 32.601 31.823 -0.153 0.000 1.021 194 V HN 0.683 nan 8.190 nan 0.000 0.480 195 F N 1.509 121.289 119.950 -0.283 0.000 2.665 195 F HA 0.483 5.010 4.527 -0.001 0.000 0.308 195 F C -0.901 174.745 175.800 -0.255 0.000 1.112 195 F CA -1.191 56.678 58.000 -0.219 0.000 0.972 195 F CB 1.275 40.162 39.000 -0.188 0.000 1.295 195 F HN 0.465 nan 8.300 nan 0.000 0.440 196 D N 2.448 122.822 120.400 -0.043 0.000 2.351 196 D HA 0.222 4.862 4.640 -0.001 0.000 0.251 196 D C 1.330 177.591 176.300 -0.066 0.000 1.137 196 D CA -0.003 53.917 54.000 -0.134 0.000 0.879 196 D CB 2.185 42.956 40.800 -0.048 0.000 1.181 196 D HN 0.603 nan 8.370 nan 0.000 0.448 197 V N 1.738 121.515 119.914 -0.228 0.000 2.759 197 V HA -0.138 3.981 4.120 -0.001 0.000 0.256 197 V C 1.448 177.529 176.094 -0.022 0.000 1.080 197 V CA 1.135 63.359 62.300 -0.126 0.000 1.101 197 V CB -0.306 31.385 31.823 -0.219 0.000 0.698 197 V HN 0.478 nan 8.190 nan 0.000 0.477 198 D N 0.509 120.889 120.400 -0.033 0.000 2.214 198 D HA -0.074 4.566 4.640 -0.001 0.000 0.217 198 D C 2.370 178.666 176.300 -0.008 0.000 0.973 198 D CA 1.635 55.623 54.000 -0.020 0.000 0.880 198 D CB -0.158 40.627 40.800 -0.026 0.000 1.031 198 D HN 0.461 nan 8.370 nan 0.000 0.468 199 S N -0.463 115.236 115.700 -0.003 0.000 2.356 199 S HA -0.197 4.273 4.470 -0.001 0.000 0.223 199 S C 1.083 175.693 174.600 0.016 0.000 1.032 199 S CA 1.638 59.840 58.200 0.003 0.000 1.005 199 S CB -0.037 63.167 63.200 0.006 0.000 0.867 199 S HN 0.131 nan 8.310 nan 0.000 0.449 200 Q N -1.222 118.615 119.800 0.062 0.000 2.311 200 Q HA -0.137 4.203 4.340 -0.001 0.000 0.178 200 Q C -0.291 175.682 176.000 -0.044 0.000 0.596 200 Q CA 1.028 56.856 55.803 0.042 0.000 1.377 200 Q CB -1.131 27.571 28.738 -0.059 0.000 1.372 200 Q HN 0.522 nan 8.270 nan 0.000 0.896 201 R N 1.080 121.585 120.500 0.008 0.000 2.649 201 R HA 0.363 4.703 4.340 -0.001 0.000 0.270 201 R C 0.798 177.117 176.300 0.031 0.000 1.105 201 R CA 0.542 56.635 56.100 -0.013 0.000 1.193 201 R CB -0.042 30.262 30.300 0.006 0.000 1.120 201 R HN 0.279 nan 8.270 nan 0.000 0.561 202 T N -1.126 113.433 114.554 0.008 0.000 2.767 202 T HA 0.435 4.785 4.350 -0.001 0.000 0.288 202 T C 1.199 175.920 174.700 0.035 0.000 0.963 202 T CA -0.742 61.385 62.100 0.046 0.000 1.019 202 T CB 0.661 69.537 68.868 0.013 0.000 0.923 202 T HN 0.351 nan 8.240 nan 0.000 0.468 203 L N 1.856 123.101 121.223 0.037 0.000 2.437 203 L HA 0.356 4.696 4.340 -0.001 0.000 0.199 203 L C 1.551 178.431 176.870 0.017 0.000 1.270 203 L CA -0.883 53.965 54.840 0.014 0.000 2.819 203 L CB -0.400 41.655 42.059 -0.008 0.000 2.667 203 L HN 0.781 nan 8.230 nan 0.000 1.109 204 E N 0.787 120.995 120.200 0.014 0.000 2.425 204 E HA 0.027 4.377 4.350 -0.001 0.000 0.258 204 E C -0.595 176.029 176.600 0.041 0.000 1.151 204 E CA -0.328 56.087 56.400 0.025 0.000 0.958 204 E CB 0.600 30.315 29.700 0.026 0.000 0.968 204 E HN 0.209 nan 8.360 nan 0.000 0.451 205 E N 0.965 121.189 120.200 0.041 0.000 2.175 205 E HA 0.337 4.687 4.350 -0.001 0.000 0.278 205 E C -1.171 175.464 176.600 0.058 0.000 0.969 205 E CA -0.664 55.763 56.400 0.045 0.000 0.796 205 E CB 1.910 31.627 29.700 0.027 0.000 1.104 205 E HN 0.339 nan 8.360 nan 0.000 0.395 206 V N 3.068 123.027 119.914 0.076 0.000 3.040 206 V HA 0.238 4.358 4.120 -0.001 0.000 0.312 206 V C 0.481 176.595 176.094 0.033 0.000 1.115 206 V CA -0.558 61.788 62.300 0.076 0.000 0.998 206 V CB 2.121 34.036 31.823 0.153 0.000 1.042 206 V HN 0.700 nan 8.190 nan 0.000 0.433 207 E N 1.079 121.283 120.200 0.008 0.000 2.490 207 E HA 0.546 4.895 4.350 -0.001 0.000 0.209 207 E C 0.113 176.682 176.600 -0.050 0.000 0.971 207 E CA 0.327 56.716 56.400 -0.020 0.000 0.988 207 E CB 1.555 31.248 29.700 -0.011 0.000 1.029 207 E HN 0.717 nan 8.360 nan 0.000 0.496 208 A N 1.427 124.207 122.820 -0.067 0.000 2.556 208 A HA 0.785 5.105 4.320 -0.001 0.000 0.294 208 A C -1.518 175.944 177.584 -0.204 0.000 1.091 208 A CA -0.610 51.362 52.037 -0.107 0.000 0.704 208 A CB 1.741 20.703 19.000 -0.063 0.000 1.300 208 A HN 0.146 nan 8.150 nan 0.000 0.406 209 I N 1.194 121.624 120.570 -0.235 0.000 2.649 209 I HA 0.329 4.499 4.170 -0.001 0.000 0.289 209 I C -1.720 174.269 176.117 -0.214 0.000 1.222 209 I CA -0.572 60.516 61.300 -0.352 0.000 1.046 209 I CB 1.886 39.532 38.000 -0.589 0.000 1.272 209 I HN 0.685 nan 8.210 nan 0.000 0.425 210 N N 7.133 125.737 118.700 -0.160 0.000 2.498 210 N HA 0.427 5.166 4.740 -0.001 0.000 0.287 210 N C -1.431 174.002 175.510 -0.128 0.000 1.097 210 N CA -0.326 52.650 53.050 -0.123 0.000 0.973 210 N CB 1.995 40.430 38.487 -0.087 0.000 1.153 210 N HN 0.545 nan 8.380 nan 0.000 0.472 211 L N 5.239 126.376 121.223 -0.143 0.000 2.401 211 L HA 0.411 4.751 4.340 -0.001 0.000 0.263 211 L C -0.941 175.860 176.870 -0.115 0.000 1.004 211 L CA -0.424 54.349 54.840 -0.111 0.000 0.881 211 L CB 0.165 42.142 42.059 -0.136 0.000 1.219 211 L HN 0.465 nan 8.230 nan 0.000 0.441 212 L N 4.813 125.977 121.223 -0.098 0.000 2.456 212 L HA 0.457 4.797 4.340 -0.001 0.000 0.257 212 L C -1.753 175.116 176.870 -0.001 0.000 1.162 212 L CA -1.692 53.069 54.840 -0.132 0.000 0.808 212 L CB 0.391 42.350 42.059 -0.167 0.000 1.136 212 L HN 0.378 nan 8.230 nan 0.000 0.466 213 P HA -0.038 nan 4.420 nan 0.000 0.278 213 P C -0.562 176.650 177.300 -0.147 0.000 1.270 213 P CA -0.091 62.987 63.100 -0.037 0.000 0.800 213 P CB 0.443 32.068 31.700 -0.125 0.000 1.142 214 A N -1.010 121.578 122.820 -0.386 0.000 2.594 214 A HA 0.291 4.610 4.320 -0.001 0.000 0.287 214 A C -0.229 176.772 177.584 -0.972 0.000 1.227 214 A CA 0.381 51.896 52.037 -0.871 0.000 0.952 214 A CB -0.613 17.556 19.000 -1.385 0.000 1.161 214 A HN 0.480 nan 8.150 nan 0.000 0.524 215 H N -1.291 117.549 119.070 -0.383 0.000 2.935 215 H HA 0.165 4.721 4.556 -0.001 0.000 0.297 215 H C -1.137 174.012 175.328 -0.299 0.000 1.423 215 H CA -0.743 54.969 56.048 -0.560 0.000 1.161 215 H CB 0.403 29.427 29.762 -1.230 0.000 1.841 215 H HN 0.338 nan 8.280 nan 0.000 0.506 216 E N 1.379 121.503 120.200 -0.127 0.000 2.341 216 E HA 0.348 4.698 4.350 -0.001 0.000 0.279 216 E C -1.030 175.615 176.600 0.075 0.000 1.395 216 E CA -0.284 56.187 56.400 0.118 0.000 1.648 216 E CB -0.259 29.591 29.700 0.250 0.000 1.524 216 E HN 0.323 nan 8.360 nan 0.000 0.462 217 F N -2.107 117.663 119.950 -0.299 0.000 2.602 217 F HA 0.141 4.668 4.527 -0.001 0.000 0.302 217 F C -3.125 172.506 175.800 -0.283 0.000 0.967 217 F CA -2.105 55.566 58.000 -0.549 0.000 1.016 217 F CB -0.118 38.580 39.000 -0.504 0.000 1.291 217 F HN -0.135 nan 8.300 nan 0.000 0.558 218 P HA 0.147 nan 4.420 nan 0.000 0.266 218 P C -0.116 177.265 177.300 0.135 0.000 1.193 218 P CA 0.285 63.451 63.100 0.111 0.000 0.770 218 P CB 1.398 33.148 31.700 0.083 0.000 0.836 219 T N -1.408 113.210 114.554 0.106 0.000 3.087 219 T HA 0.067 4.417 4.350 -0.001 0.000 0.283 219 T C 0.291 175.063 174.700 0.119 0.000 0.956 219 T CA -0.166 62.016 62.100 0.137 0.000 0.894 219 T CB -0.257 68.666 68.868 0.091 0.000 1.160 219 T HN 0.504 nan 8.240 nan 0.000 0.532 220 D N 1.835 122.304 120.400 0.115 0.000 2.300 220 D HA 0.022 4.662 4.640 -0.001 0.000 0.235 220 D C 1.379 177.733 176.300 0.090 0.000 1.338 220 D CA -0.307 53.755 54.000 0.103 0.000 0.903 220 D CB 0.844 41.719 40.800 0.126 0.000 1.180 220 D HN -0.031 nan 8.370 nan 0.000 0.485 221 K N -0.525 119.918 120.400 0.072 0.000 2.044 221 K HA -0.251 4.068 4.320 -0.001 0.000 0.210 221 K C 1.998 178.635 176.600 0.061 0.000 1.049 221 K CA 1.597 57.916 56.287 0.054 0.000 0.927 221 K CB -0.513 32.014 32.500 0.044 0.000 0.713 221 K HN 0.495 nan 8.250 nan 0.000 0.443 222 A N 1.167 124.034 122.820 0.079 0.000 1.834 222 A HA -0.178 4.141 4.320 -0.001 0.000 0.216 222 A C 2.378 180.017 177.584 0.092 0.000 1.203 222 A CA 2.374 54.462 52.037 0.085 0.000 0.621 222 A CB -1.332 17.729 19.000 0.102 0.000 0.841 222 A HN 0.506 nan 8.150 nan 0.000 0.446 223 A N -0.088 122.803 122.820 0.120 0.000 1.929 223 A HA -0.276 4.044 4.320 -0.001 0.000 0.221 223 A C 2.117 179.774 177.584 0.121 0.000 1.211 223 A CA 2.190 54.314 52.037 0.146 0.000 0.657 223 A CB -0.964 18.170 19.000 0.223 0.000 0.827 223 A HN 0.597 nan 8.150 nan 0.000 0.462 224 I N -0.731 119.892 120.570 0.089 0.000 2.394 224 I HA -0.179 3.991 4.170 -0.001 0.000 0.251 224 I C 2.986 179.122 176.117 0.031 0.000 1.136 224 I CA 1.428 62.740 61.300 0.020 0.000 1.425 224 I CB -0.699 37.288 38.000 -0.021 0.000 1.079 224 I HN 0.569 nan 8.210 nan 0.000 0.425 225 E N 1.306 121.530 120.200 0.041 0.000 2.106 225 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 225 E C 2.167 178.806 176.600 0.064 0.000 0.984 225 E CA 0.977 57.403 56.400 0.042 0.000 0.806 225 E CB -0.760 28.966 29.700 0.044 0.000 0.750 225 E HN 0.517 nan 8.360 nan 0.000 0.458 226 L N -1.285 119.980 121.223 0.070 0.000 2.017 226 L HA -0.049 4.291 4.340 -0.001 0.000 0.208 226 L C 2.618 179.516 176.870 0.047 0.000 1.073 226 L CA 1.999 56.878 54.840 0.065 0.000 0.745 226 L CB -0.290 41.810 42.059 0.069 0.000 0.894 226 L HN 0.470 nan 8.230 nan 0.000 0.432 227 F N 0.912 120.772 119.950 -0.150 0.000 2.095 227 F HA -0.281 4.245 4.527 -0.001 0.000 0.298 227 F C 2.631 178.410 175.800 -0.035 0.000 1.104 227 F CA 1.719 59.563 58.000 -0.259 0.000 1.232 227 F CB -0.150 38.494 39.000 -0.592 0.000 0.987 227 F HN -0.029 nan 8.300 nan 0.000 0.475 228 R N -0.499 120.092 120.500 0.150 0.000 2.073 228 R HA -0.169 4.170 4.340 -0.001 0.000 0.234 228 R C 2.577 179.060 176.300 0.305 0.000 1.134 228 R CA 1.495 57.720 56.100 0.208 0.000 0.952 228 R CB -1.048 29.285 30.300 0.056 0.000 0.850 228 R HN 0.307 nan 8.270 nan 0.000 0.433 229 S N 0.917 116.715 115.700 0.164 0.000 2.380 229 S HA -0.247 4.223 4.470 -0.001 0.000 0.217 229 S C 1.938 176.598 174.600 0.100 0.000 1.036 229 S CA 1.495 59.772 58.200 0.128 0.000 1.050 229 S CB -0.217 63.031 63.200 0.079 0.000 1.016 229 S HN 0.332 nan 8.310 nan 0.000 0.419 230 Q N -0.523 119.299 119.800 0.036 0.000 2.268 230 Q HA -0.194 4.146 4.340 -0.001 0.000 0.210 230 Q C 1.884 177.872 176.000 -0.019 0.000 0.988 230 Q CA 1.612 57.407 55.803 -0.013 0.000 0.883 230 Q CB -0.285 28.430 28.738 -0.038 0.000 0.911 230 Q HN 0.796 nan 8.270 nan 0.000 0.430 231 W N 1.514 122.733 121.300 -0.135 0.000 2.380 231 W HA -0.136 4.524 4.660 -0.001 0.000 0.317 231 W C 1.669 178.215 176.519 0.046 0.000 1.196 231 W CA 1.197 58.529 57.345 -0.021 0.000 1.307 231 W CB -0.323 29.150 29.460 0.022 0.000 1.157 231 W HN 0.038 nan 8.180 nan 0.000 0.483 232 R N 0.292 120.976 120.500 0.307 0.000 2.185 232 R HA -0.190 4.150 4.340 -0.001 0.000 0.247 232 R C 1.662 177.944 176.300 -0.030 0.000 1.159 232 R CA 1.818 57.992 56.100 0.124 0.000 0.988 232 R CB -0.449 29.920 30.300 0.115 0.000 0.871 232 R HN 0.185 nan 8.270 nan 0.000 0.458 233 D N -1.174 119.192 120.400 -0.058 0.000 2.277 233 D HA -0.040 4.600 4.640 -0.001 0.000 0.208 233 D C 1.113 177.265 176.300 -0.247 0.000 0.962 233 D CA 1.241 55.173 54.000 -0.114 0.000 0.865 233 D CB 0.386 41.139 40.800 -0.078 0.000 0.939 233 D HN 0.277 nan 8.370 nan 0.000 0.510 234 T N -1.118 113.183 114.554 -0.422 0.000 2.978 234 T HA 0.165 4.514 4.350 -0.001 0.000 0.248 234 T C 0.293 174.278 174.700 -1.192 0.000 1.018 234 T CA 0.049 61.657 62.100 -0.821 0.000 1.026 234 T CB 0.729 68.940 68.868 -1.096 0.000 1.032 234 T HN -0.091 nan 8.240 nan 0.000 0.485 235 F N 0.857 120.493 119.950 -0.524 0.000 2.643 235 F HA 0.659 5.185 4.527 -0.001 0.000 0.314 235 F C 0.368 176.060 175.800 -0.181 0.000 1.096 235 F CA -1.594 56.165 58.000 -0.402 0.000 0.953 235 F CB 0.498 39.125 39.000 -0.621 0.000 1.345 235 F HN -0.080 nan 8.300 nan 0.000 0.468 236 E N 0.154 120.462 120.200 0.180 0.000 2.409 236 E HA 0.579 4.928 4.350 -0.001 0.000 0.257 236 E C -0.905 175.833 176.600 0.231 0.000 1.150 236 E CA -0.332 56.152 56.400 0.140 0.000 0.942 236 E CB 0.612 30.379 29.700 0.112 0.000 0.979 236 E HN 0.457 nan 8.360 nan 0.000 0.447 237 V N 1.363 121.279 119.914 0.003 0.000 2.919 237 V HA 0.681 4.801 4.120 -0.001 0.000 0.316 237 V C -0.092 175.797 176.094 -0.341 0.000 1.077 237 V CA -0.794 61.336 62.300 -0.283 0.000 0.977 237 V CB 1.862 33.392 31.823 -0.488 0.000 1.039 237 V HN 0.817 nan 8.190 nan 0.000 0.441 238 K N 1.144 121.187 120.400 -0.595 0.000 2.498 238 K HA 0.625 4.945 4.320 -0.001 0.000 0.254 238 K C 0.762 177.253 176.600 -0.182 0.000 0.933 238 K CA -0.519 55.598 56.287 -0.282 0.000 0.806 238 K CB 2.217 34.650 32.500 -0.111 0.000 1.301 238 K HN 0.531 nan 8.250 nan 0.000 0.432 239 R N 1.095 121.553 120.500 -0.070 0.000 2.073 239 R HA -0.072 4.267 4.340 -0.001 0.000 0.234 239 R C 0.053 176.357 176.300 0.007 0.000 1.134 239 R CA 1.834 57.920 56.100 -0.022 0.000 0.952 239 R CB -1.284 29.011 30.300 -0.009 0.000 0.850 239 R HN 0.813 nan 8.270 nan 0.000 0.433 240 D N 1.176 121.590 120.400 0.023 0.000 3.450 240 D HA -0.086 4.554 4.640 -0.001 0.000 0.202 240 D C -1.305 175.025 176.300 0.051 0.000 1.070 240 D CA 0.433 54.459 54.000 0.045 0.000 0.743 240 D CB 0.627 41.469 40.800 0.070 0.000 1.157 240 D HN 0.342 nan 8.370 nan 0.000 0.557 241 P HA -0.192 nan 4.420 nan 0.000 0.224 241 P C 0.524 177.832 177.300 0.013 0.000 1.142 241 P CA 1.072 64.181 63.100 0.016 0.000 0.778 241 P CB 0.487 32.191 31.700 0.007 0.000 0.764 242 E N -1.893 118.325 120.200 0.029 0.000 2.474 242 E HA 0.002 4.352 4.350 -0.001 0.000 0.195 242 E C 0.792 177.393 176.600 0.001 0.000 1.039 242 E CA -0.108 56.297 56.400 0.009 0.000 0.881 242 E CB -0.672 29.034 29.700 0.010 0.000 0.970 242 E HN 0.469 nan 8.360 nan 0.000 0.486 243 H N 1.040 120.077 119.070 -0.055 0.000 2.848 243 H HA -0.011 4.545 4.556 -0.001 0.000 0.341 243 H C 1.332 176.540 175.328 -0.200 0.000 1.060 243 H CA -0.083 55.915 56.048 -0.084 0.000 1.444 243 H CB 0.872 30.607 29.762 -0.046 0.000 1.446 243 H HN -0.112 nan 8.280 nan 0.000 0.583 244 I N 5.547 125.836 120.570 -0.468 0.000 2.145 244 I HA -0.358 3.812 4.170 -0.001 0.000 0.244 244 I C 2.220 178.058 176.117 -0.464 0.000 1.075 244 I CA 1.385 62.361 61.300 -0.539 0.000 1.332 244 I CB -1.206 36.260 38.000 -0.890 0.000 1.033 244 I HN 0.696 nan 8.210 nan 0.000 0.410 245 Y N 1.161 121.065 120.300 -0.660 0.000 2.014 245 Y HA -0.414 4.135 4.550 -0.001 0.000 0.272 245 Y C 2.842 178.564 175.900 -0.298 0.000 1.164 245 Y CA 2.544 60.261 58.100 -0.638 0.000 1.114 245 Y CB -0.706 37.298 38.460 -0.760 0.000 0.961 245 Y HN 0.164 nan 8.280 nan 0.000 0.489 246 Q N 0.499 120.293 119.800 -0.010 0.000 2.133 246 Q HA -0.281 4.059 4.340 -0.001 0.000 0.208 246 Q C 2.191 178.095 176.000 -0.160 0.000 0.991 246 Q CA 2.576 58.340 55.803 -0.064 0.000 0.867 246 Q CB -0.402 28.356 28.738 0.033 0.000 0.911 246 Q HN 0.724 nan 8.270 nan 0.000 0.417 247 Q N -1.230 118.469 119.800 -0.168 0.000 2.016 247 Q HA -0.089 4.251 4.340 -0.001 0.000 0.200 247 Q C 2.082 177.941 176.000 -0.235 0.000 0.978 247 Q CA 1.696 57.392 55.803 -0.178 0.000 0.833 247 Q CB -0.053 28.581 28.738 -0.175 0.000 0.895 247 Q HN 0.296 nan 8.270 nan 0.000 0.427 248 V N 0.809 120.518 119.914 -0.342 0.000 2.594 248 V HA -0.226 3.894 4.120 -0.001 0.000 0.253 248 V C 2.151 178.041 176.094 -0.341 0.000 1.069 248 V CA 1.686 63.733 62.300 -0.423 0.000 1.082 248 V CB -0.513 30.832 31.823 -0.797 0.000 0.680 248 V HN 0.253 nan 8.190 nan 0.000 0.469 249 S N -0.129 115.360 115.700 -0.352 0.000 2.355 249 S HA -0.154 4.316 4.470 -0.001 0.000 0.222 249 S C 1.803 176.296 174.600 -0.179 0.000 1.031 249 S CA 1.220 59.239 58.200 -0.302 0.000 0.993 249 S CB -0.257 62.708 63.200 -0.391 0.000 0.859 249 S HN 0.613 nan 8.310 nan 0.000 0.453 250 K N 0.700 121.009 120.400 -0.151 0.000 2.574 250 K HA 0.111 4.431 4.320 -0.001 0.000 0.193 250 K C 1.017 177.572 176.600 -0.075 0.000 1.035 250 K CA 0.459 56.689 56.287 -0.094 0.000 0.982 250 K CB -0.189 32.264 32.500 -0.078 0.000 0.795 250 K HN 0.455 nan 8.250 nan 0.000 0.491 251 G N 1.263 110.009 108.800 -0.090 0.000 2.142 251 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.225 251 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.225 251 G C -0.026 174.843 174.900 -0.051 0.000 1.015 251 G CA 0.074 45.140 45.100 -0.057 0.000 0.716 251 G HN 0.264 nan 8.290 nan 0.000 0.508 252 T N 0.325 114.828 114.554 -0.084 0.000 2.888 252 T HA 0.653 5.002 4.350 -0.001 0.000 0.284 252 T C 0.244 174.885 174.700 -0.099 0.000 1.017 252 T CA -0.442 61.613 62.100 -0.075 0.000 1.022 252 T CB 1.606 70.427 68.868 -0.079 0.000 1.013 252 T HN 0.259 nan 8.240 nan 0.000 0.465 253 L N 4.485 125.666 121.223 -0.070 0.000 2.301 253 L HA 0.357 4.697 4.340 -0.001 0.000 0.278 253 L C -2.034 174.790 176.870 -0.077 0.000 1.022 253 L CA -1.893 52.899 54.840 -0.079 0.000 0.854 253 L CB 1.124 43.152 42.059 -0.052 0.000 1.226 253 L HN 0.403 nan 8.230 nan 0.000 0.429 254 P HA 0.048 nan 4.420 nan 0.000 0.272 254 P C 0.494 177.777 177.300 -0.029 0.000 1.248 254 P CA -0.038 63.017 63.100 -0.074 0.000 0.799 254 P CB 0.882 32.514 31.700 -0.114 0.000 0.997 255 A N 1.014 123.828 122.820 -0.010 0.000 1.832 255 A HA 0.006 4.325 4.320 -0.001 0.000 0.214 255 A C 1.971 179.600 177.584 0.075 0.000 1.200 255 A CA 1.822 53.858 52.037 -0.002 0.000 0.610 255 A CB -1.718 17.235 19.000 -0.078 0.000 0.842 255 A HN 0.627 nan 8.150 nan 0.000 0.444 256 G N -0.799 108.112 108.800 0.186 0.000 3.234 256 G HA2 0.220 4.180 3.960 -0.001 0.000 0.221 256 G HA3 0.220 4.180 3.960 -0.001 0.000 0.221 256 G C 1.040 176.194 174.900 0.424 0.000 1.229 256 G CA 0.146 45.441 45.100 0.325 0.000 0.909 256 G HN 0.449 nan 8.290 nan 0.000 0.510 257 I N 0.060 120.792 120.570 0.269 0.000 2.145 257 I HA -0.254 3.915 4.170 -0.001 0.000 0.244 257 I C 2.566 178.786 176.117 0.172 0.000 1.075 257 I CA 1.284 62.762 61.300 0.297 0.000 1.332 257 I CB 0.173 38.172 38.000 -0.002 0.000 1.033 257 I HN 0.186 nan 8.210 nan 0.000 0.410 258 E N -0.072 120.001 120.200 -0.211 0.000 2.253 258 E HA -0.263 4.087 4.350 -0.001 0.000 0.202 258 E C 0.941 177.420 176.600 -0.201 0.000 1.014 258 E CA 1.380 57.486 56.400 -0.490 0.000 0.823 258 E CB -0.442 28.449 29.700 -1.348 0.000 0.736 258 E HN 0.620 nan 8.360 nan 0.000 0.478 259 Y N -1.719 118.641 120.300 0.101 0.000 2.740 259 Y HA 0.024 4.573 4.550 -0.001 0.000 0.356 259 Y C 0.500 176.311 175.900 -0.148 0.000 1.101 259 Y CA -0.438 57.611 58.100 -0.084 0.000 1.477 259 Y CB 0.018 38.281 38.460 -0.328 0.000 1.296 259 Y HN 0.101 nan 8.280 nan 0.000 0.507 260 W N -1.146 120.284 121.300 0.218 0.000 1.262 260 W HA 0.049 4.709 4.660 -0.001 0.000 0.190 260 W C 1.627 178.360 176.519 0.357 0.000 0.745 260 W CA -0.394 57.145 57.345 0.324 0.000 0.841 260 W CB -0.240 29.488 29.460 0.447 0.000 0.861 260 W HN 0.226 nan 8.180 nan 0.000 0.455 261 Q N 1.437 121.445 119.800 0.347 0.000 2.103 261 Q HA -0.235 4.104 4.340 -0.001 0.000 0.213 261 Q C -0.757 175.552 176.000 0.514 0.000 1.008 261 Q CA 2.945 58.890 55.803 0.237 0.000 0.879 261 Q CB -0.817 28.025 28.738 0.174 0.000 0.946 261 Q HN -0.009 nan 8.270 nan 0.000 0.413 262 P HA -0.238 nan 4.420 nan 0.000 0.216 262 P C 1.051 178.590 177.300 0.398 0.000 1.167 262 P CA 1.643 64.944 63.100 0.335 0.000 0.933 262 P CB -0.252 31.575 31.700 0.211 0.000 0.793 263 L N -3.139 118.276 121.223 0.320 0.000 2.357 263 L HA -0.184 4.156 4.340 -0.001 0.000 0.220 263 L C 1.731 178.648 176.870 0.078 0.000 1.123 263 L CA 1.161 56.049 54.840 0.080 0.000 0.782 263 L CB -0.933 40.950 42.059 -0.293 0.000 0.910 263 L HN -0.026 nan 8.230 nan 0.000 0.442 264 F N -1.180 118.920 119.950 0.250 0.000 2.731 264 F HA 0.171 4.698 4.527 -0.001 0.000 0.304 264 F C 0.376 175.954 175.800 -0.370 0.000 1.133 264 F CA 0.020 58.025 58.000 0.009 0.000 1.380 264 F CB -0.106 38.816 39.000 -0.130 0.000 1.079 264 F HN -0.162 nan 8.300 nan 0.000 0.550 265 F N -1.761 118.338 119.950 0.248 0.000 2.613 265 F HA 0.246 4.773 4.527 -0.001 0.000 0.310 265 F C 1.112 176.990 175.800 0.131 0.000 1.085 265 F CA -0.844 57.267 58.000 0.184 0.000 0.945 265 F CB 1.350 40.443 39.000 0.155 0.000 1.298 265 F HN -0.290 nan 8.300 nan 0.000 0.455 266 S N -0.587 115.304 115.700 0.318 0.000 2.404 266 S HA 0.113 4.582 4.470 -0.001 0.000 0.223 266 S C 0.466 175.174 174.600 0.180 0.000 1.040 266 S CA 0.297 58.615 58.200 0.196 0.000 0.957 266 S CB -0.194 63.102 63.200 0.159 0.000 0.826 266 S HN 0.594 nan 8.310 nan 0.000 0.491 267 E N 2.883 123.210 120.200 0.211 0.000 2.392 267 E HA 0.468 4.818 4.350 -0.001 0.000 0.256 267 E C -2.445 174.218 176.600 0.107 0.000 1.145 267 E CA -1.706 54.778 56.400 0.139 0.000 0.929 267 E CB 0.175 29.952 29.700 0.128 0.000 0.998 267 E HN 0.332 nan 8.360 nan 0.000 0.442 268 P HA 0.178 nan 4.420 nan 0.000 0.278 268 P C -0.819 176.469 177.300 -0.021 0.000 1.266 268 P CA -0.414 62.704 63.100 0.030 0.000 0.807 268 P CB 0.539 32.255 31.700 0.026 0.000 1.094 269 L N 2.561 123.758 121.223 -0.043 0.000 2.290 269 L HA 0.331 4.671 4.340 -0.001 0.000 0.284 269 L C -1.794 175.050 176.870 -0.043 0.000 1.078 269 L CA -1.847 52.935 54.840 -0.096 0.000 0.815 269 L CB 0.592 42.582 42.059 -0.115 0.000 1.162 269 L HN 0.249 nan 8.230 nan 0.000 0.435 270 P HA 0.268 nan 4.420 nan 0.000 0.275 270 P C -2.723 174.598 177.300 0.036 0.000 1.266 270 P CA -1.766 61.355 63.100 0.035 0.000 0.793 270 P CB -0.033 31.713 31.700 0.077 0.000 1.074 271 P HA 0.185 nan 4.420 nan 0.000 0.296 271 P C 0.950 178.264 177.300 0.023 0.000 1.306 271 P CA -0.443 62.723 63.100 0.109 0.000 0.818 271 P CB 0.522 32.365 31.700 0.238 0.000 0.969 272 L N 3.930 125.040 121.223 -0.187 0.000 2.123 272 L HA -0.264 4.075 4.340 -0.001 0.000 0.217 272 L C 1.529 177.939 176.870 -0.766 0.000 1.081 272 L CA 2.145 56.695 54.840 -0.484 0.000 0.772 272 L CB -1.202 40.480 42.059 -0.628 0.000 0.890 272 L HN 0.308 nan 8.230 nan 0.000 0.437 273 F N -0.003 119.518 119.950 -0.715 0.000 2.154 273 F HA -0.260 4.266 4.527 -0.001 0.000 0.301 273 F C 2.775 178.232 175.800 -0.572 0.000 1.087 273 F CA 1.366 58.703 58.000 -1.105 0.000 1.274 273 F CB -1.565 37.210 39.000 -0.376 0.000 1.009 273 F HN 0.340 nan 8.300 nan 0.000 0.485 274 S N -0.940 114.766 115.700 0.009 0.000 2.461 274 S HA -0.280 4.189 4.470 -0.001 0.000 0.246 274 S C 1.534 176.096 174.600 -0.063 0.000 1.007 274 S CA 1.359 59.591 58.200 0.053 0.000 0.976 274 S CB -1.091 62.148 63.200 0.065 0.000 0.763 274 S HN 0.460 nan 8.310 nan 0.000 0.508 275 Y N 0.331 120.437 120.300 -0.324 0.000 2.510 275 Y HA 0.419 4.969 4.550 -0.001 0.000 0.273 275 Y C 0.403 176.230 175.900 -0.121 0.000 1.119 275 Y CA -1.483 56.453 58.100 -0.274 0.000 1.286 275 Y CB -0.176 38.112 38.460 -0.286 0.000 1.061 275 Y HN 0.156 nan 8.280 nan 0.000 0.542 276 F N 2.358 122.327 119.950 0.033 0.000 2.543 276 F HA 0.239 4.766 4.527 -0.001 0.000 0.375 276 F C -1.582 174.259 175.800 0.068 0.000 1.075 276 F CA -3.801 54.175 58.000 -0.040 0.000 1.225 276 F CB -0.569 38.267 39.000 -0.274 0.000 1.099 276 F HN -0.095 nan 8.300 nan 0.000 0.561 277 P HA 0.064 nan 4.420 nan 0.000 0.272 277 P C 0.263 177.723 177.300 0.266 0.000 1.248 277 P CA 0.257 63.459 63.100 0.171 0.000 0.799 277 P CB 0.629 32.389 31.700 0.100 0.000 0.997 278 A N 1.626 124.564 122.820 0.198 0.000 1.873 278 A HA -0.170 4.150 4.320 -0.001 0.000 0.215 278 A C 1.264 178.988 177.584 0.234 0.000 1.186 278 A CA 1.855 54.021 52.037 0.215 0.000 0.616 278 A CB -1.595 17.470 19.000 0.109 0.000 0.823 278 A HN 0.804 nan 8.150 nan 0.000 0.442 279 N N -0.532 118.262 118.700 0.157 0.000 2.484 279 N HA 0.093 4.833 4.740 -0.001 0.000 0.245 279 N C 0.070 175.714 175.510 0.222 0.000 1.184 279 N CA 0.407 53.544 53.050 0.146 0.000 0.884 279 N CB -0.102 38.394 38.487 0.014 0.000 1.182 279 N HN 0.222 nan 8.380 nan 0.000 0.493 280 T N 0.872 115.595 114.554 0.283 0.000 2.869 280 T HA 0.252 4.602 4.350 -0.001 0.000 0.295 280 T C -0.567 174.265 174.700 0.219 0.000 0.987 280 T CA -0.711 61.500 62.100 0.185 0.000 1.109 280 T CB 0.728 69.568 68.868 -0.047 0.000 0.932 280 T HN 0.263 nan 8.240 nan 0.000 0.518 281 L N 7.236 128.516 121.223 0.094 0.000 2.316 281 L HA 0.551 4.891 4.340 -0.001 0.000 0.280 281 L C -0.869 175.910 176.870 -0.153 0.000 1.006 281 L CA -0.528 54.273 54.840 -0.065 0.000 0.836 281 L CB 0.791 42.592 42.059 -0.430 0.000 1.221 281 L HN 0.645 nan 8.230 nan 0.000 0.418 282 L N 5.425 126.579 121.223 -0.115 0.000 2.418 282 L HA 0.612 4.952 4.340 -0.001 0.000 0.265 282 L C -0.484 176.323 176.870 -0.105 0.000 1.143 282 L CA -0.818 53.929 54.840 -0.155 0.000 0.809 282 L CB 1.351 43.358 42.059 -0.086 0.000 1.124 282 L HN 0.356 nan 8.230 nan 0.000 0.456 283 V N 1.567 121.414 119.914 -0.112 0.000 2.709 283 V HA 0.359 4.479 4.120 -0.001 0.000 0.308 283 V C -0.474 175.580 176.094 -0.067 0.000 1.062 283 V CA -0.696 61.552 62.300 -0.087 0.000 0.901 283 V CB 2.071 33.836 31.823 -0.097 0.000 1.003 283 V HN 0.757 nan 8.190 nan 0.000 0.425 284 N N 1.357 120.029 118.700 -0.046 0.000 2.483 284 N HA 0.816 5.555 4.740 -0.001 0.000 0.285 284 N C -0.911 174.583 175.510 -0.027 0.000 1.210 284 N CA -0.162 52.871 53.050 -0.029 0.000 0.931 284 N CB 2.049 40.534 38.487 -0.003 0.000 1.220 284 N HN 0.778 nan 8.380 nan 0.000 0.542 285 T N 0.018 114.561 114.554 -0.018 0.000 3.012 285 T HA 0.603 4.953 4.350 -0.001 0.000 0.330 285 T C -0.218 174.479 174.700 -0.006 0.000 1.321 285 T CA -0.010 62.081 62.100 -0.015 0.000 1.067 285 T CB 1.108 69.963 68.868 -0.021 0.000 1.235 285 T HN 0.902 nan 8.240 nan 0.000 0.479 286 G N 2.774 111.573 108.800 -0.002 0.000 2.633 286 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.263 286 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.263 286 G C -0.855 174.056 174.900 0.018 0.000 1.310 286 G CA 0.324 45.426 45.100 0.003 0.000 0.914 286 G HN 1.063 nan 8.290 nan 0.000 0.569 287 D N 0.394 120.810 120.400 0.026 0.000 2.440 287 D HA 0.408 5.047 4.640 -0.001 0.000 0.239 287 D C 1.688 178.033 176.300 0.076 0.000 1.084 287 D CA -0.713 53.319 54.000 0.054 0.000 0.843 287 D CB 0.814 41.640 40.800 0.043 0.000 1.097 287 D HN 0.433 nan 8.370 nan 0.000 0.531 288 L N 2.089 123.378 121.223 0.110 0.000 2.046 288 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 288 L C 2.370 179.362 176.870 0.203 0.000 1.077 288 L CA 1.482 56.388 54.840 0.109 0.000 0.747 288 L CB -0.670 41.424 42.059 0.058 0.000 0.896 288 L HN 0.541 nan 8.230 nan 0.000 0.432 289 E N -0.157 120.261 120.200 0.364 0.000 2.130 289 E HA -0.222 4.128 4.350 -0.001 0.000 0.196 289 E C 1.892 178.588 176.600 0.159 0.000 0.998 289 E CA 1.861 58.471 56.400 0.351 0.000 0.806 289 E CB -0.657 29.123 29.700 0.134 0.000 0.738 289 E HN 0.382 nan 8.360 nan 0.000 0.459 290 T N 0.805 115.416 114.554 0.094 0.000 2.701 290 T HA -0.202 4.147 4.350 -0.001 0.000 0.263 290 T C 2.061 176.794 174.700 0.056 0.000 1.040 290 T CA 1.528 63.659 62.100 0.052 0.000 1.147 290 T CB -0.352 68.532 68.868 0.027 0.000 0.865 290 T HN 0.272 nan 8.240 nan 0.000 0.426 291 S N 1.224 116.955 115.700 0.052 0.000 2.363 291 S HA -0.162 4.307 4.470 -0.001 0.000 0.218 291 S C 2.474 177.117 174.600 0.071 0.000 1.035 291 S CA 1.760 59.984 58.200 0.040 0.000 1.043 291 S CB -0.895 62.310 63.200 0.008 0.000 0.986 291 S HN 0.504 nan 8.310 nan 0.000 0.423 292 A N 0.584 123.451 122.820 0.079 0.000 1.985 292 A HA -0.257 4.062 4.320 -0.001 0.000 0.223 292 A C 2.046 179.716 177.584 0.144 0.000 1.189 292 A CA 2.358 54.458 52.037 0.105 0.000 0.658 292 A CB -0.980 18.090 19.000 0.116 0.000 0.820 292 A HN 0.787 nan 8.150 nan 0.000 0.464 293 E N -1.477 118.797 120.200 0.123 0.000 2.086 293 E HA -0.086 4.264 4.350 -0.001 0.000 0.190 293 E C 2.280 178.908 176.600 0.047 0.000 0.975 293 E CA 0.699 57.150 56.400 0.084 0.000 0.813 293 E CB -0.078 29.661 29.700 0.065 0.000 0.768 293 E HN 0.626 nan 8.360 nan 0.000 0.457 294 R N -0.137 120.394 120.500 0.051 0.000 2.105 294 R HA -0.186 4.154 4.340 -0.001 0.000 0.239 294 R C 2.050 178.362 176.300 0.019 0.000 1.135 294 R CA 1.309 57.423 56.100 0.023 0.000 0.967 294 R CB -0.253 30.063 30.300 0.027 0.000 0.861 294 R HN 0.157 nan 8.270 nan 0.000 0.442 295 F N 1.418 121.312 119.950 -0.094 0.000 2.060 295 F HA -0.165 4.361 4.527 -0.001 0.000 0.295 295 F C 2.470 178.152 175.800 -0.196 0.000 1.120 295 F CA 2.047 59.955 58.000 -0.155 0.000 1.205 295 F CB -0.699 38.201 39.000 -0.166 0.000 0.986 295 F HN 0.064 nan 8.300 nan 0.000 0.470 296 Q N 0.303 120.030 119.800 -0.122 0.000 2.217 296 Q HA -0.253 4.087 4.340 -0.001 0.000 0.209 296 Q C 2.045 177.894 176.000 -0.252 0.000 0.988 296 Q CA 2.169 57.848 55.803 -0.207 0.000 0.878 296 Q CB -0.417 28.301 28.738 -0.033 0.000 0.909 296 Q HN 0.517 nan 8.270 nan 0.000 0.424 297 A N -0.018 122.691 122.820 -0.185 0.000 1.897 297 A HA -0.159 4.161 4.320 -0.001 0.000 0.215 297 A C 1.805 179.267 177.584 -0.204 0.000 1.181 297 A CA 1.602 53.548 52.037 -0.151 0.000 0.620 297 A CB -0.584 18.361 19.000 -0.092 0.000 0.821 297 A HN 0.563 nan 8.150 nan 0.000 0.443 298 D N -1.306 118.922 120.400 -0.288 0.000 2.234 298 D HA -0.060 4.579 4.640 -0.001 0.000 0.205 298 D C 1.865 177.923 176.300 -0.403 0.000 0.962 298 D CA 1.654 55.475 54.000 -0.298 0.000 0.855 298 D CB -0.061 40.572 40.800 -0.278 0.000 0.951 298 D HN 0.307 nan 8.370 nan 0.000 0.500 299 T N 0.136 114.292 114.554 -0.664 0.000 2.701 299 T HA -0.116 4.234 4.350 -0.001 0.000 0.263 299 T C 1.846 176.380 174.700 -0.276 0.000 1.040 299 T CA 0.977 62.642 62.100 -0.725 0.000 1.147 299 T CB -0.375 67.800 68.868 -1.155 0.000 0.865 299 T HN 0.107 nan 8.240 nan 0.000 0.426 300 L N 1.004 122.096 121.223 -0.219 0.000 2.046 300 L HA 0.022 4.362 4.340 -0.001 0.000 0.208 300 L C 2.640 179.509 176.870 -0.002 0.000 1.077 300 L CA 1.733 56.546 54.840 -0.045 0.000 0.747 300 L CB -0.723 41.301 42.059 -0.057 0.000 0.896 300 L HN 0.236 nan 8.230 nan 0.000 0.432 301 A N -0.209 122.563 122.820 -0.081 0.000 1.892 301 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 301 A C 2.370 179.911 177.584 -0.072 0.000 1.188 301 A CA 2.026 54.018 52.037 -0.075 0.000 0.631 301 A CB -0.599 18.342 19.000 -0.098 0.000 0.822 301 A HN 0.511 nan 8.150 nan 0.000 0.447 302 R N -2.143 118.311 120.500 -0.076 0.000 2.148 302 R HA -0.040 4.300 4.340 -0.001 0.000 0.223 302 R C 1.927 178.153 176.300 -0.122 0.000 1.088 302 R CA 1.196 57.259 56.100 -0.061 0.000 0.985 302 R CB -0.483 29.819 30.300 0.004 0.000 0.880 302 R HN 0.596 nan 8.270 nan 0.000 0.451 303 F N 2.398 122.180 119.950 -0.279 0.000 2.269 303 F HA -0.143 4.384 4.527 -0.001 0.000 0.301 303 F C 1.625 177.251 175.800 -0.290 0.000 1.082 303 F CA 1.490 59.228 58.000 -0.436 0.000 1.360 303 F CB 0.134 38.977 39.000 -0.261 0.000 1.041 303 F HN -0.097 nan 8.300 nan 0.000 0.512 304 E N -0.207 119.822 120.200 -0.286 0.000 2.075 304 E HA -0.053 4.296 4.350 -0.001 0.000 0.190 304 E C 1.875 178.321 176.600 -0.257 0.000 0.969 304 E CA 0.991 57.198 56.400 -0.322 0.000 0.815 304 E CB -0.212 29.397 29.700 -0.152 0.000 0.776 304 E HN 0.297 nan 8.360 nan 0.000 0.457 305 N N 0.349 118.941 118.700 -0.179 0.000 2.039 305 N HA -0.087 4.652 4.740 -0.001 0.000 0.193 305 N C 1.447 176.869 175.510 -0.146 0.000 1.044 305 N CA 0.896 53.864 53.050 -0.137 0.000 0.847 305 N CB 0.010 38.438 38.487 -0.098 0.000 1.030 305 N HN -0.094 nan 8.380 nan 0.000 0.422 306 R N 0.428 120.832 120.500 -0.159 0.000 2.357 306 R HA 0.090 4.429 4.340 -0.001 0.000 0.202 306 R C 0.513 176.699 176.300 -0.191 0.000 1.047 306 R CA 0.233 56.252 56.100 -0.134 0.000 1.034 306 R CB -0.610 29.637 30.300 -0.088 0.000 0.875 306 R HN 0.192 nan 8.270 nan 0.000 0.473 307 G N -0.008 108.614 108.800 -0.296 0.000 3.882 307 G HA2 0.276 4.236 3.960 -0.001 0.000 0.283 307 G HA3 0.276 4.236 3.960 -0.001 0.000 0.283 307 G C 0.664 175.438 174.900 -0.210 0.000 1.283 307 G CA -0.303 44.594 45.100 -0.338 0.000 1.402 307 G HN 0.069 nan 8.290 nan 0.000 0.618 308 V N -0.823 119.018 119.914 -0.122 0.000 3.350 308 V HA 0.088 4.208 4.120 -0.001 0.000 0.246 308 V C 0.731 176.810 176.094 -0.026 0.000 1.363 308 V CA -0.146 62.110 62.300 -0.072 0.000 1.162 308 V CB 0.542 32.326 31.823 -0.066 0.000 0.947 308 V HN 0.347 nan 8.190 nan 0.000 0.454 309 D N 2.858 123.251 120.400 -0.013 0.000 2.520 309 D HA -0.008 4.632 4.640 -0.001 0.000 0.243 309 D C -1.100 175.220 176.300 0.033 0.000 1.160 309 D CA -1.196 52.815 54.000 0.018 0.000 0.877 309 D CB 1.594 42.417 40.800 0.038 0.000 1.150 309 D HN 0.183 nan 8.370 nan 0.000 0.494 310 P HA -0.103 nan 4.420 nan 0.000 0.225 310 P C 1.092 178.443 177.300 0.086 0.000 1.156 310 P CA 0.705 63.853 63.100 0.081 0.000 0.787 310 P CB 0.244 31.994 31.700 0.083 0.000 0.802 311 M N -1.344 118.268 119.600 0.019 0.000 2.495 311 M HA 0.116 4.596 4.480 -0.001 0.000 0.237 311 M C 0.946 177.122 176.300 -0.207 0.000 1.131 311 M CA 0.567 55.788 55.300 -0.132 0.000 1.032 311 M CB -0.267 32.301 32.600 -0.053 0.000 1.513 311 M HN -0.112 nan 8.290 nan 0.000 0.488 312 R N 0.804 121.307 120.500 0.006 0.000 2.711 312 R HA 0.222 4.562 4.340 -0.001 0.000 0.350 312 R C -2.450 174.016 176.300 0.278 0.000 1.146 312 R CA -1.147 55.087 56.100 0.224 0.000 1.190 312 R CB 0.718 31.208 30.300 0.317 0.000 1.312 312 R HN 0.016 nan 8.270 nan 0.000 0.635 313 P HA -0.101 nan 4.420 nan 0.000 0.263 313 P C -0.430 176.824 177.300 -0.077 0.000 1.175 313 P CA 0.677 63.750 63.100 -0.046 0.000 0.761 313 P CB 0.926 32.518 31.700 -0.180 0.000 0.794 314 L N 3.155 124.368 121.223 -0.017 0.000 2.343 314 L HA 0.387 4.727 4.340 -0.001 0.000 0.275 314 L C 1.032 178.123 176.870 0.369 0.000 1.056 314 L CA -1.247 53.608 54.840 0.025 0.000 0.804 314 L CB 0.669 42.580 42.059 -0.247 0.000 1.203 314 L HN 0.263 nan 8.230 nan 0.000 0.440 315 L N 2.445 123.899 121.223 0.386 0.000 2.453 315 L HA 0.286 4.626 4.340 -0.001 0.000 0.261 315 L C -2.115 174.987 176.870 0.387 0.000 1.179 315 L CA -1.668 53.443 54.840 0.452 0.000 0.813 315 L CB 0.494 42.725 42.059 0.287 0.000 1.110 315 L HN 0.276 nan 8.230 nan 0.000 0.466 316 P HA 0.111 nan 4.420 nan 0.000 0.271 316 P C -2.121 175.052 177.300 -0.211 0.000 1.216 316 P CA -1.112 61.802 63.100 -0.310 0.000 0.776 316 P CB 0.356 31.978 31.700 -0.130 0.000 0.881 317 P HA -0.206 nan 4.420 nan 0.000 0.222 317 P C 1.340 178.742 177.300 0.169 0.000 1.142 317 P CA 1.392 64.587 63.100 0.157 0.000 0.788 317 P CB -0.133 31.559 31.700 -0.014 0.000 0.767 318 Q N -0.662 119.141 119.800 0.005 0.000 2.079 318 Q HA -0.099 4.241 4.340 -0.001 0.000 0.200 318 Q C 2.198 178.206 176.000 0.013 0.000 0.974 318 Q CA 1.978 57.797 55.803 0.026 0.000 0.840 318 Q CB -0.806 27.926 28.738 -0.010 0.000 0.898 318 Q HN 0.405 nan 8.270 nan 0.000 0.430 319 S N 0.367 116.057 115.700 -0.016 0.000 2.423 319 S HA -0.041 4.428 4.470 -0.001 0.000 0.231 319 S C 2.012 176.539 174.600 -0.122 0.000 1.014 319 S CA 0.783 58.962 58.200 -0.034 0.000 0.965 319 S CB -0.240 62.963 63.200 0.005 0.000 0.785 319 S HN 0.233 nan 8.310 nan 0.000 0.495 320 L N -1.539 119.527 121.223 -0.262 0.000 2.286 320 L HA 0.339 4.679 4.340 -0.001 0.000 0.203 320 L C 0.962 177.440 176.870 -0.655 0.000 1.068 320 L CA 0.095 54.550 54.840 -0.641 0.000 0.811 320 L CB -0.035 41.231 42.059 -1.321 0.000 0.989 320 L HN 0.366 nan 8.230 nan 0.000 0.467 321 W N -0.062 121.245 121.300 0.012 0.000 2.850 321 W HA 0.517 5.177 4.660 -0.001 0.000 0.349 321 W C -0.447 176.089 176.519 0.029 0.000 1.133 321 W CA -0.976 56.388 57.345 0.031 0.000 1.117 321 W CB 1.271 30.790 29.460 0.098 0.000 1.442 321 W HN -0.248 nan 8.180 nan 0.000 0.575 322 L N 1.895 123.302 121.223 0.306 0.000 2.439 322 L HA 0.423 4.762 4.340 -0.001 0.000 0.259 322 L C 0.834 177.813 176.870 0.182 0.000 1.129 322 L CA -0.830 54.126 54.840 0.194 0.000 0.803 322 L CB 0.270 42.431 42.059 0.170 0.000 1.161 322 L HN 0.134 nan 8.230 nan 0.000 0.462 323 R N 0.275 120.852 120.500 0.129 0.000 2.528 323 R HA 0.175 4.514 4.340 -0.001 0.000 0.271 323 R C 0.954 177.334 176.300 0.132 0.000 1.056 323 R CA -0.447 55.719 56.100 0.110 0.000 1.117 323 R CB 1.208 31.556 30.300 0.080 0.000 1.085 323 R HN 0.401 nan 8.270 nan 0.000 0.530 324 V N 1.773 121.773 119.914 0.144 0.000 2.568 324 V HA -0.264 3.856 4.120 -0.001 0.000 0.253 324 V C 1.410 177.695 176.094 0.317 0.000 1.072 324 V CA 2.003 64.440 62.300 0.227 0.000 1.084 324 V CB -0.541 31.414 31.823 0.220 0.000 0.676 324 V HN 0.632 nan 8.190 nan 0.000 0.469 325 D N 0.728 121.246 120.400 0.197 0.000 2.077 325 D HA -0.174 4.465 4.640 -0.001 0.000 0.196 325 D C 2.005 178.402 176.300 0.163 0.000 0.986 325 D CA 1.412 55.515 54.000 0.172 0.000 0.829 325 D CB -0.475 40.379 40.800 0.090 0.000 0.983 325 D HN 0.551 nan 8.370 nan 0.000 0.453 326 E N 0.524 120.788 120.200 0.107 0.000 2.160 326 E HA -0.155 4.194 4.350 -0.001 0.000 0.195 326 E C 2.178 178.800 176.600 0.037 0.000 0.991 326 E CA 0.308 56.747 56.400 0.065 0.000 0.810 326 E CB -0.167 29.571 29.700 0.062 0.000 0.742 326 E HN 0.101 nan 8.360 nan 0.000 0.466 327 L N 0.429 121.687 121.223 0.059 0.000 1.989 327 L HA -0.163 4.176 4.340 -0.001 0.000 0.211 327 L C 1.967 178.743 176.870 -0.156 0.000 1.071 327 L CA 1.789 56.607 54.840 -0.037 0.000 0.749 327 L CB -0.601 41.393 42.059 -0.108 0.000 0.890 327 L HN 0.001 nan 8.230 nan 0.000 0.431 328 F N -0.994 118.975 119.950 0.030 0.000 2.325 328 F HA -0.071 4.456 4.527 -0.001 0.000 0.299 328 F C 2.838 178.627 175.800 -0.018 0.000 1.090 328 F CA 1.230 59.240 58.000 0.018 0.000 1.392 328 F CB -0.720 38.293 39.000 0.022 0.000 1.053 328 F HN 0.179 nan 8.300 nan 0.000 0.521 329 S N 0.021 115.799 115.700 0.129 0.000 2.356 329 S HA -0.244 4.226 4.470 -0.001 0.000 0.223 329 S C 2.107 176.680 174.600 -0.045 0.000 1.032 329 S CA 1.761 59.986 58.200 0.042 0.000 1.005 329 S CB -0.232 62.986 63.200 0.030 0.000 0.867 329 S HN 0.389 nan 8.310 nan 0.000 0.449 330 E N 0.299 120.408 120.200 -0.152 0.000 2.107 330 E HA 0.009 4.358 4.350 -0.001 0.000 0.191 330 E C 1.868 178.296 176.600 -0.288 0.000 0.982 330 E CA 0.574 56.772 56.400 -0.337 0.000 0.809 330 E CB -0.386 28.864 29.700 -0.749 0.000 0.756 330 E HN 0.351 nan 8.360 nan 0.000 0.459 331 L N 1.094 122.181 121.223 -0.226 0.000 2.127 331 L HA -0.127 4.212 4.340 -0.001 0.000 0.211 331 L C 1.638 178.597 176.870 0.148 0.000 1.089 331 L CA 1.754 56.607 54.840 0.022 0.000 0.757 331 L CB -0.442 41.623 42.059 0.010 0.000 0.899 331 L HN 0.075 nan 8.230 nan 0.000 0.434 332 K N -0.849 119.599 120.400 0.079 0.000 2.362 332 K HA -0.079 4.241 4.320 -0.001 0.000 0.200 332 K C 1.458 178.052 176.600 -0.010 0.000 1.046 332 K CA 0.622 56.943 56.287 0.055 0.000 0.952 332 K CB -0.105 32.413 32.500 0.029 0.000 0.753 332 K HN 0.377 nan 8.250 nan 0.000 0.466 333 N N -0.398 118.261 118.700 -0.069 0.000 2.515 333 N HA -0.074 4.666 4.740 -0.001 0.000 0.185 333 N C -0.363 174.829 175.510 -0.530 0.000 1.109 333 N CA 0.668 53.495 53.050 -0.372 0.000 0.903 333 N CB 0.349 38.416 38.487 -0.701 0.000 0.969 333 N HN 0.177 nan 8.380 nan 0.000 0.450 334 W N 1.797 123.116 121.300 0.032 0.000 2.819 334 W HA 0.336 4.996 4.660 -0.001 0.000 0.337 334 W C -2.245 174.290 176.519 0.026 0.000 1.077 334 W CA -1.601 55.774 57.345 0.049 0.000 1.226 334 W CB 1.527 31.041 29.460 0.089 0.000 1.419 334 W HN -0.215 nan 8.180 nan 0.000 0.502 335 P HA 0.115 nan 4.420 nan 0.000 0.269 335 P C -0.693 176.675 177.300 0.114 0.000 1.215 335 P CA 0.334 63.503 63.100 0.116 0.000 0.780 335 P CB 1.014 32.763 31.700 0.081 0.000 0.898 336 R N 0.357 120.893 120.500 0.060 0.000 2.658 336 R HA 0.373 4.713 4.340 -0.001 0.000 0.287 336 R C -1.506 174.792 176.300 -0.005 0.000 1.209 336 R CA -0.868 55.249 56.100 0.029 0.000 1.046 336 R CB -0.058 30.279 30.300 0.063 0.000 1.247 336 R HN 0.068 nan 8.270 nan 0.000 0.405 337 V N 3.704 123.591 119.914 -0.044 0.000 2.585 337 V HA 0.024 4.144 4.120 -0.001 0.000 0.296 337 V C 0.417 176.478 176.094 -0.054 0.000 1.035 337 V CA 0.404 62.665 62.300 -0.064 0.000 1.084 337 V CB 1.004 32.760 31.823 -0.113 0.000 0.953 337 V HN 0.689 nan 8.190 nan 0.000 0.483 338 Q N 4.596 124.369 119.800 -0.045 0.000 2.282 338 Q HA 0.606 4.946 4.340 -0.001 0.000 0.260 338 Q C -1.058 174.913 176.000 -0.048 0.000 0.964 338 Q CA -0.580 55.204 55.803 -0.031 0.000 0.880 338 Q CB 2.304 31.037 28.738 -0.009 0.000 1.286 338 Q HN 0.596 nan 8.270 nan 0.000 0.445 339 L N 2.663 123.862 121.223 -0.039 0.000 2.313 339 L HA 0.559 4.898 4.340 -0.001 0.000 0.283 339 L C -0.440 176.419 176.870 -0.017 0.000 1.013 339 L CA -0.513 54.304 54.840 -0.038 0.000 0.816 339 L CB 1.276 43.312 42.059 -0.038 0.000 1.236 339 L HN 0.444 nan 8.230 nan 0.000 0.419 340 K N 0.450 120.843 120.400 -0.010 0.000 2.469 340 K HA 0.360 4.679 4.320 -0.001 0.000 0.254 340 K C 0.461 177.072 176.600 0.019 0.000 0.939 340 K CA -0.529 55.758 56.287 0.002 0.000 0.812 340 K CB 2.592 35.090 32.500 -0.005 0.000 1.301 340 K HN 0.641 nan 8.250 nan 0.000 0.433 341 T N -2.003 112.566 114.554 0.024 0.000 2.770 341 T HA -0.105 4.245 4.350 -0.001 0.000 0.258 341 T C 0.698 175.430 174.700 0.053 0.000 1.039 341 T CA 0.425 62.548 62.100 0.039 0.000 1.143 341 T CB -0.377 68.509 68.868 0.030 0.000 0.866 341 T HN 0.702 nan 8.240 nan 0.000 0.428 342 E N 2.221 122.448 120.200 0.044 0.000 2.438 342 E HA -0.083 4.266 4.350 -0.001 0.000 0.261 342 E C -0.309 176.343 176.600 0.087 0.000 1.103 342 E CA -0.471 55.966 56.400 0.062 0.000 0.959 342 E CB 0.142 29.867 29.700 0.041 0.000 0.958 342 E HN 0.539 nan 8.360 nan 0.000 0.447 343 H N 1.647 120.724 119.070 0.011 0.000 2.928 343 H HA 0.156 4.712 4.556 -0.001 0.000 0.338 343 H C -0.552 174.780 175.328 0.006 0.000 1.047 343 H CA 0.031 56.084 56.048 0.009 0.000 1.435 343 H CB 0.325 30.092 29.762 0.008 0.000 1.428 343 H HN 0.371 nan 8.280 nan 0.000 0.590 344 L N 7.708 128.588 121.223 -0.572 0.000 2.325 344 L HA 0.375 4.715 4.340 -0.001 0.000 0.279 344 L C -1.971 174.580 176.870 -0.532 0.000 1.054 344 L CA -2.116 52.473 54.840 -0.418 0.000 0.804 344 L CB 1.474 43.393 42.059 -0.234 0.000 1.200 344 L HN 0.646 nan 8.230 nan 0.000 0.436 345 P HA 0.098 nan 4.420 nan 0.000 0.286 345 P C -0.422 176.814 177.300 -0.107 0.000 1.269 345 P CA -0.490 62.520 63.100 -0.150 0.000 0.787 345 P CB 0.865 32.521 31.700 -0.073 0.000 0.920 346 T N 1.453 115.967 114.554 -0.067 0.000 3.728 346 T HA 0.147 4.496 4.350 -0.001 0.000 0.212 346 T C 0.836 175.520 174.700 -0.027 0.000 0.931 346 T CA 0.515 62.593 62.100 -0.037 0.000 2.012 346 T CB -1.479 67.385 68.868 -0.008 0.000 1.163 346 T HN 0.567 nan 8.240 nan 0.000 0.690 347 K N 0.581 120.961 120.400 -0.033 0.000 2.130 347 K HA 0.821 5.140 4.320 -0.001 0.000 0.268 347 K C 1.433 178.024 176.600 -0.015 0.000 0.983 347 K CA -0.365 55.909 56.287 -0.022 0.000 0.893 347 K CB 0.587 33.073 32.500 -0.025 0.000 1.066 347 K HN 0.370 nan 8.250 nan 0.000 0.450 348 A N 1.037 123.852 122.820 -0.008 0.000 2.024 348 A HA 0.139 4.458 4.320 -0.001 0.000 0.220 348 A C 2.189 179.774 177.584 0.002 0.000 1.164 348 A CA 2.321 54.357 52.037 -0.003 0.000 0.643 348 A CB -0.491 18.508 19.000 -0.001 0.000 0.806 348 A HN 1.562 nan 8.150 nan 0.000 0.451 349 A N -0.828 121.992 122.820 -0.001 0.000 2.278 349 A HA 0.278 4.597 4.320 -0.001 0.000 0.212 349 A C 0.377 177.963 177.584 0.004 0.000 1.213 349 A CA -0.104 51.936 52.037 0.005 0.000 0.840 349 A CB -0.293 18.708 19.000 0.002 0.000 0.866 349 A HN 0.515 nan 8.150 nan 0.000 0.489 350 N N -1.859 116.840 118.700 -0.003 0.000 2.525 350 N HA 0.742 5.481 4.740 -0.001 0.000 0.288 350 N C 0.589 176.103 175.510 0.006 0.000 1.242 350 N CA 0.206 53.250 53.050 -0.011 0.000 0.905 350 N CB 1.583 40.047 38.487 -0.038 0.000 1.258 350 N HN 0.041 nan 8.380 nan 0.000 0.551 351 A N -0.109 122.713 122.820 0.003 0.000 1.949 351 A HA 0.350 4.670 4.320 -0.001 0.000 0.200 351 A C -0.399 177.193 177.584 0.014 0.000 1.832 351 A CA 0.097 52.154 52.037 0.034 0.000 1.004 351 A CB -0.170 18.886 19.000 0.093 0.000 1.102 351 A HN 0.608 nan 8.150 nan 0.000 0.595 352 N N 0.045 118.743 118.700 -0.004 0.000 2.792 352 N HA -0.099 4.641 4.740 -0.001 0.000 0.258 352 N C -0.817 174.690 175.510 -0.004 0.000 1.118 352 N CA 0.488 53.542 53.050 0.007 0.000 0.672 352 N CB -1.368 37.132 38.487 0.022 0.000 0.913 352 N HN 0.464 nan 8.380 nan 0.000 0.562 353 L N 0.083 121.287 121.223 -0.032 0.000 2.514 353 L HA 0.126 4.465 4.340 -0.001 0.000 0.280 353 L C 1.760 178.467 176.870 -0.273 0.000 1.223 353 L CA 0.337 55.077 54.840 -0.167 0.000 0.864 353 L CB 0.393 42.334 42.059 -0.196 0.000 1.118 353 L HN 0.377 nan 8.230 nan 0.000 0.494 354 G N 3.876 112.439 108.800 -0.396 0.000 2.716 354 G HA2 0.334 4.294 3.960 -0.001 0.000 0.296 354 G HA3 0.334 4.294 3.960 -0.001 0.000 0.296 354 G C -0.629 173.991 174.900 -0.468 0.000 0.811 354 G CA -0.156 44.751 45.100 -0.323 0.000 1.758 354 G HN 0.349 nan 8.290 nan 0.000 0.512 355 F N 0.328 120.239 119.950 -0.065 0.000 2.540 355 F HA 0.469 4.995 4.527 -0.001 0.000 0.317 355 F C 0.361 176.140 175.800 -0.035 0.000 1.104 355 F CA -0.967 56.969 58.000 -0.107 0.000 0.913 355 F CB 2.474 41.390 39.000 -0.140 0.000 1.170 355 F HN 0.233 nan 8.300 nan 0.000 0.450 356 Q N 1.765 121.691 119.800 0.210 0.000 2.451 356 Q HA 0.308 4.648 4.340 -0.001 0.000 0.281 356 Q C -1.176 174.906 176.000 0.136 0.000 1.099 356 Q CA -1.358 54.530 55.803 0.141 0.000 0.806 356 Q CB 3.152 31.958 28.738 0.114 0.000 1.419 356 Q HN 0.458 nan 8.270 nan 0.000 0.427 357 K N 1.797 122.250 120.400 0.088 0.000 2.383 357 K HA 0.112 4.432 4.320 -0.001 0.000 0.286 357 K C -0.329 176.300 176.600 0.047 0.000 1.051 357 K CA -0.354 55.964 56.287 0.052 0.000 0.974 357 K CB 0.347 32.854 32.500 0.012 0.000 0.968 357 K HN 0.449 nan 8.250 nan 0.000 0.475 358 L N 6.432 127.673 121.223 0.030 0.000 2.535 358 L HA -0.017 4.322 4.340 -0.001 0.000 0.301 358 L C -2.024 174.815 176.870 -0.052 0.000 1.275 358 L CA -0.281 54.550 54.840 -0.015 0.000 0.843 358 L CB -0.206 41.806 42.059 -0.077 0.000 1.094 358 L HN 0.708 nan 8.230 nan 0.000 0.532 359 P HA 0.059 nan 4.420 nan 0.000 0.282 359 P C -1.218 176.016 177.300 -0.111 0.000 1.286 359 P CA -0.340 62.720 63.100 -0.066 0.000 0.777 359 P CB 0.308 31.976 31.700 -0.054 0.000 1.184 360 D N 0.738 121.095 120.400 -0.071 0.000 2.494 360 D HA 0.092 4.732 4.640 -0.001 0.000 0.217 360 D C 0.360 176.604 176.300 -0.093 0.000 1.153 360 D CA 0.109 54.065 54.000 -0.073 0.000 0.954 360 D CB -0.273 40.505 40.800 -0.037 0.000 1.034 360 D HN 0.222 nan 8.370 nan 0.000 0.518 361 L N 1.819 122.955 121.223 -0.145 0.000 2.607 361 L HA 0.277 4.617 4.340 -0.001 0.000 0.228 361 L C 1.458 178.263 176.870 -0.108 0.000 1.123 361 L CA -0.399 54.350 54.840 -0.152 0.000 0.890 361 L CB -0.122 41.783 42.059 -0.255 0.000 1.103 361 L HN 0.233 nan 8.230 nan 0.000 0.468 362 A N 0.537 123.302 122.820 -0.093 0.000 2.504 362 A HA 0.248 4.568 4.320 -0.001 0.000 0.242 362 A C 0.247 177.783 177.584 -0.079 0.000 1.100 362 A CA 0.005 51.989 52.037 -0.088 0.000 0.786 362 A CB 0.208 19.163 19.000 -0.074 0.000 1.050 362 A HN -0.013 nan 8.150 nan 0.000 0.512 363 V N 0.823 120.684 119.914 -0.089 0.000 2.481 363 V HA 0.358 4.477 4.120 -0.001 0.000 0.286 363 V C -0.126 175.929 176.094 -0.065 0.000 1.042 363 V CA -0.166 62.086 62.300 -0.080 0.000 0.928 363 V CB 1.279 33.041 31.823 -0.102 0.000 0.986 363 V HN 0.866 nan 8.190 nan 0.000 0.462 364 Q N 2.235 122.005 119.800 -0.049 0.000 2.341 364 Q HA 0.598 4.937 4.340 -0.001 0.000 0.268 364 Q C 0.591 176.568 176.000 -0.039 0.000 1.013 364 Q CA -0.070 55.710 55.803 -0.038 0.000 0.798 364 Q CB 1.707 30.428 28.738 -0.028 0.000 1.253 364 Q HN 0.871 nan 8.270 nan 0.000 0.457 365 A N 2.917 125.716 122.820 -0.036 0.000 2.119 365 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 365 A C 1.306 178.861 177.584 -0.049 0.000 1.153 365 A CA 1.031 53.048 52.037 -0.033 0.000 0.692 365 A CB 0.087 19.081 19.000 -0.011 0.000 0.799 365 A HN 0.788 nan 8.150 nan 0.000 0.458 366 Q N 0.053 119.830 119.800 -0.040 0.000 1.994 366 Q HA -0.036 4.303 4.340 -0.001 0.000 0.198 366 Q C 0.361 176.325 176.000 -0.060 0.000 0.976 366 Q CA 0.610 56.384 55.803 -0.049 0.000 0.828 366 Q CB -0.266 28.458 28.738 -0.023 0.000 0.894 366 Q HN 0.557 nan 8.270 nan 0.000 0.432 367 Q N 1.489 121.264 119.800 -0.041 0.000 2.369 367 Q HA -0.081 4.258 4.340 -0.001 0.000 0.295 367 Q C 0.499 176.471 176.000 -0.047 0.000 1.075 367 Q CA 0.704 56.485 55.803 -0.036 0.000 0.941 367 Q CB 0.260 28.984 28.738 -0.024 0.000 1.260 367 Q HN 0.297 nan 8.270 nan 0.000 0.417 368 K N 0.259 120.634 120.400 -0.041 0.000 2.439 368 K HA 0.046 4.365 4.320 -0.001 0.000 0.197 368 K C 0.277 176.861 176.600 -0.028 0.000 1.041 368 K CA 0.825 57.087 56.287 -0.042 0.000 0.970 368 K CB 0.402 32.883 32.500 -0.033 0.000 0.773 368 K HN 0.522 nan 8.250 nan 0.000 0.479 369 A N 1.506 124.313 122.820 -0.021 0.000 2.709 369 A HA 0.332 4.652 4.320 -0.001 0.000 0.332 369 A C -2.296 175.278 177.584 -0.017 0.000 1.241 369 A CA -1.290 50.740 52.037 -0.012 0.000 0.782 369 A CB 0.739 19.738 19.000 -0.002 0.000 1.109 369 A HN -0.091 nan 8.150 nan 0.000 0.472 370 P HA -0.099 nan 4.420 nan 0.000 0.217 370 P C 0.795 178.076 177.300 -0.032 0.000 1.150 370 P CA 1.036 64.117 63.100 -0.032 0.000 0.832 370 P CB 0.185 31.862 31.700 -0.039 0.000 0.787 371 L N -1.502 119.707 121.223 -0.024 0.000 2.700 371 L HA 0.168 4.508 4.340 -0.001 0.000 0.234 371 L C 1.533 178.405 176.870 0.002 0.000 1.156 371 L CA 0.059 54.886 54.840 -0.021 0.000 0.946 371 L CB -0.398 41.645 42.059 -0.027 0.000 1.216 371 L HN -0.127 nan 8.230 nan 0.000 0.493 372 D N 1.343 121.748 120.400 0.008 0.000 2.144 372 D HA -0.111 4.528 4.640 -0.001 0.000 0.200 372 D C 2.192 178.518 176.300 0.044 0.000 0.978 372 D CA 1.265 55.281 54.000 0.027 0.000 0.833 372 D CB 0.401 41.214 40.800 0.022 0.000 0.961 372 D HN 0.295 nan 8.370 nan 0.000 0.470 373 A N 0.860 123.698 122.820 0.029 0.000 1.917 373 A HA -0.189 4.131 4.320 -0.001 0.000 0.219 373 A C 2.346 179.975 177.584 0.075 0.000 1.182 373 A CA 1.200 53.262 52.037 0.041 0.000 0.633 373 A CB -0.840 18.160 19.000 0.001 0.000 0.819 373 A HN 0.383 nan 8.150 nan 0.000 0.448 374 L N -1.583 119.669 121.223 0.048 0.000 2.131 374 L HA -0.065 4.275 4.340 -0.001 0.000 0.206 374 L C 2.733 179.698 176.870 0.158 0.000 1.087 374 L CA 1.268 56.158 54.840 0.083 0.000 0.767 374 L CB -0.326 41.749 42.059 0.026 0.000 0.917 374 L HN 0.463 nan 8.230 nan 0.000 0.441 375 R N 0.631 121.193 120.500 0.104 0.000 2.070 375 R HA -0.204 4.136 4.340 -0.001 0.000 0.233 375 R C 2.406 178.773 176.300 0.112 0.000 1.137 375 R CA 2.060 58.219 56.100 0.098 0.000 0.945 375 R CB -0.094 30.242 30.300 0.059 0.000 0.845 375 R HN 0.451 nan 8.270 nan 0.000 0.430 376 K N -0.834 119.633 120.400 0.112 0.000 2.097 376 K HA -0.163 4.157 4.320 -0.001 0.000 0.205 376 K C 1.970 178.652 176.600 0.137 0.000 1.050 376 K CA 1.411 57.760 56.287 0.103 0.000 0.938 376 K CB -0.638 31.916 32.500 0.089 0.000 0.718 376 K HN 0.186 nan 8.250 nan 0.000 0.442 377 F N 2.251 122.226 119.950 0.041 0.000 2.333 377 F HA -0.015 4.512 4.527 -0.001 0.000 0.300 377 F C 1.603 177.431 175.800 0.047 0.000 1.083 377 F CA 0.935 58.961 58.000 0.043 0.000 1.395 377 F CB 0.170 39.170 39.000 -0.001 0.000 1.056 377 F HN -0.079 nan 8.300 nan 0.000 0.529 378 L N 0.203 121.519 121.223 0.156 0.000 2.354 378 L HA -0.007 4.332 4.340 -0.001 0.000 0.212 378 L C 1.479 178.369 176.870 0.034 0.000 1.091 378 L CA 0.794 55.682 54.840 0.081 0.000 0.828 378 L CB -0.554 41.602 42.059 0.162 0.000 0.973 378 L HN 0.267 nan 8.230 nan 0.000 0.461 379 E N -1.357 118.864 120.200 0.036 0.000 2.394 379 E HA -0.003 4.346 4.350 -0.001 0.000 0.191 379 E C 0.855 177.457 176.600 0.003 0.000 1.044 379 E CA 0.065 56.478 56.400 0.022 0.000 0.939 379 E CB 0.300 30.018 29.700 0.030 0.000 1.089 379 E HN -0.014 nan 8.360 nan 0.000 0.456 380 T N -0.334 114.208 114.554 -0.020 0.000 3.332 380 T HA 0.220 4.570 4.350 -0.001 0.000 0.304 380 T C -1.348 173.320 174.700 -0.054 0.000 0.971 380 T CA -0.465 61.612 62.100 -0.039 0.000 0.954 380 T CB -0.048 68.803 68.868 -0.030 0.000 1.175 380 T HN 0.158 nan 8.240 nan 0.000 0.519 381 F N 2.009 121.800 119.950 -0.264 0.000 2.546 381 F HA 0.456 4.983 4.527 -0.001 0.000 0.320 381 F C 0.854 176.561 175.800 -0.155 0.000 1.076 381 F CA -1.325 56.505 58.000 -0.284 0.000 0.928 381 F CB 1.947 40.691 39.000 -0.426 0.000 1.189 381 F HN 0.093 nan 8.300 nan 0.000 0.465 382 D N 1.325 121.510 120.400 -0.359 0.000 2.468 382 D HA 0.139 4.778 4.640 -0.001 0.000 0.243 382 D C 1.148 177.399 176.300 -0.082 0.000 0.994 382 D CA 0.465 54.349 54.000 -0.194 0.000 0.932 382 D CB -0.941 39.714 40.800 -0.242 0.000 1.078 382 D HN 0.621 nan 8.370 nan 0.000 0.473 383 G N 1.820 110.526 108.800 -0.158 0.000 2.647 383 G HA2 0.302 4.262 3.960 -0.001 0.000 0.271 383 G HA3 0.302 4.262 3.960 -0.001 0.000 0.271 383 G C -2.205 172.876 174.900 0.302 0.000 1.300 383 G CA -0.566 44.582 45.100 0.081 0.000 0.997 383 G HN 0.177 nan 8.290 nan 0.000 0.533 384 P HA 0.153 nan 4.420 nan 0.000 0.272 384 P C 0.268 177.685 177.300 0.193 0.000 1.230 384 P CA -0.209 63.052 63.100 0.267 0.000 0.788 384 P CB 1.710 33.617 31.700 0.345 0.000 0.949 385 V N 0.058 119.981 119.914 0.014 0.000 3.359 385 V HA -0.016 4.104 4.120 -0.001 0.000 0.245 385 V C 0.569 176.491 176.094 -0.286 0.000 1.247 385 V CA 0.004 62.177 62.300 -0.211 0.000 1.145 385 V CB -0.263 31.294 31.823 -0.443 0.000 0.906 385 V HN 0.325 nan 8.190 nan 0.000 0.464 386 V N 2.377 122.212 119.914 -0.132 0.000 4.451 386 V HA -0.262 3.858 4.120 -0.001 0.000 0.475 386 V C -0.433 175.585 176.094 -0.128 0.000 0.684 386 V CA 0.863 63.148 62.300 -0.025 0.000 1.843 386 V CB -1.544 30.343 31.823 0.106 0.000 2.191 386 V HN 0.458 nan 8.190 nan 0.000 0.499 387 F N 3.730 123.728 119.950 0.081 0.000 2.371 387 F HA 0.455 4.981 4.527 -0.001 0.000 0.363 387 F C 0.742 176.559 175.800 0.029 0.000 1.122 387 F CA -0.019 57.998 58.000 0.030 0.000 1.129 387 F CB 1.653 40.662 39.000 0.016 0.000 1.173 387 F HN 0.545 nan 8.300 nan 0.000 0.489 388 S N 3.340 119.157 115.700 0.195 0.000 2.545 388 S HA 0.623 5.093 4.470 -0.001 0.000 0.275 388 S C -0.629 174.011 174.600 0.068 0.000 1.299 388 S CA -0.416 57.847 58.200 0.105 0.000 1.048 388 S CB 0.679 63.913 63.200 0.057 0.000 0.938 388 S HN 0.404 nan 8.310 nan 0.000 0.496 389 V N 4.853 124.791 119.914 0.040 0.000 2.888 389 V HA 0.316 4.435 4.120 -0.001 0.000 0.309 389 V C 0.487 176.577 176.094 -0.006 0.000 1.114 389 V CA -0.676 61.630 62.300 0.010 0.000 0.940 389 V CB 2.138 33.969 31.823 0.014 0.000 1.021 389 V HN 1.040 nan 8.190 nan 0.000 0.426 390 E N 1.406 121.595 120.200 -0.019 0.000 2.072 390 E HA 0.022 4.372 4.350 -0.001 0.000 0.190 390 E C 0.223 176.815 176.600 -0.013 0.000 0.982 390 E CA 0.847 57.234 56.400 -0.022 0.000 0.803 390 E CB 0.199 29.882 29.700 -0.028 0.000 0.755 390 E HN 0.633 nan 8.360 nan 0.000 0.453 391 S N 0.168 115.863 115.700 -0.008 0.000 2.638 391 S HA 0.174 4.644 4.470 -0.001 0.000 0.302 391 S C 0.354 174.956 174.600 0.005 0.000 1.096 391 S CA -0.751 57.449 58.200 -0.001 0.000 0.953 391 S CB 1.916 65.116 63.200 0.000 0.000 1.107 391 S HN -0.003 nan 8.310 nan 0.000 0.503 392 E N 1.195 121.401 120.200 0.010 0.000 2.482 392 E HA 0.078 4.428 4.350 -0.001 0.000 0.196 392 E C 1.483 178.091 176.600 0.013 0.000 1.047 392 E CA 0.894 57.302 56.400 0.014 0.000 0.869 392 E CB -0.521 29.190 29.700 0.017 0.000 0.836 392 E HN 0.794 nan 8.360 nan 0.000 0.520 393 G N -0.521 108.285 108.800 0.010 0.000 2.796 393 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.210 393 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.210 393 G C 1.607 176.508 174.900 0.003 0.000 1.146 393 G CA -0.218 44.889 45.100 0.010 0.000 0.779 393 G HN 0.005 nan 8.290 nan 0.000 0.535 394 R N 0.225 120.722 120.500 -0.004 0.000 2.173 394 R HA 0.167 4.507 4.340 -0.001 0.000 0.208 394 R C 2.371 178.658 176.300 -0.021 0.000 1.035 394 R CA -0.019 56.070 56.100 -0.018 0.000 1.004 394 R CB -0.311 29.974 30.300 -0.024 0.000 0.917 394 R HN 0.246 nan 8.270 nan 0.000 0.462 395 R N 1.925 122.422 120.500 -0.006 0.000 2.091 395 R HA -0.137 4.202 4.340 -0.001 0.000 0.238 395 R C 1.310 177.606 176.300 -0.008 0.000 1.136 395 R CA 1.652 57.752 56.100 0.001 0.000 0.959 395 R CB -0.084 30.228 30.300 0.020 0.000 0.856 395 R HN 0.281 nan 8.270 nan 0.000 0.437 396 E N 0.080 120.279 120.200 -0.002 0.000 2.118 396 E HA -0.173 4.177 4.350 -0.001 0.000 0.195 396 E C 1.977 178.568 176.600 -0.015 0.000 0.992 396 E CA 1.361 57.760 56.400 -0.000 0.000 0.804 396 E CB -0.159 29.547 29.700 0.009 0.000 0.741 396 E HN 0.501 nan 8.360 nan 0.000 0.458 397 A N 1.173 123.977 122.820 -0.027 0.000 1.933 397 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 397 A C 2.165 179.704 177.584 -0.075 0.000 1.175 397 A CA 0.972 52.981 52.037 -0.046 0.000 0.628 397 A CB -0.556 18.410 19.000 -0.057 0.000 0.814 397 A HN 0.167 nan 8.150 nan 0.000 0.444 398 L N -0.866 120.302 121.223 -0.090 0.000 2.017 398 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 398 L C 2.849 179.654 176.870 -0.110 0.000 1.073 398 L CA 1.272 56.026 54.840 -0.142 0.000 0.745 398 L CB -0.976 40.987 42.059 -0.159 0.000 0.894 398 L HN 0.520 nan 8.230 nan 0.000 0.432 399 G N -0.511 108.255 108.800 -0.057 0.000 2.586 399 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.218 399 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.218 399 G C 1.371 176.251 174.900 -0.033 0.000 1.216 399 G CA 1.024 46.106 45.100 -0.030 0.000 0.786 399 G HN 0.450 nan 8.290 nan 0.000 0.583 400 E N -0.382 119.801 120.200 -0.027 0.000 2.187 400 E HA -0.174 4.176 4.350 -0.001 0.000 0.199 400 E C 2.376 178.951 176.600 -0.041 0.000 1.004 400 E CA 1.154 57.542 56.400 -0.021 0.000 0.813 400 E CB -0.143 29.550 29.700 -0.013 0.000 0.736 400 E HN 0.399 nan 8.360 nan 0.000 0.468 401 L N 0.217 121.396 121.223 -0.074 0.000 2.071 401 L HA -0.055 4.285 4.340 -0.001 0.000 0.201 401 L C 2.208 179.021 176.870 -0.095 0.000 1.076 401 L CA 1.186 55.967 54.840 -0.098 0.000 0.755 401 L CB -0.282 41.689 42.059 -0.146 0.000 0.915 401 L HN 0.142 nan 8.230 nan 0.000 0.445 402 L N -0.178 120.974 121.223 -0.119 0.000 2.131 402 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 402 L C 2.704 179.554 176.870 -0.033 0.000 1.092 402 L CA 0.998 55.782 54.840 -0.094 0.000 0.759 402 L CB -1.099 40.892 42.059 -0.112 0.000 0.903 402 L HN 0.417 nan 8.230 nan 0.000 0.435 403 A N 0.703 123.508 122.820 -0.025 0.000 1.948 403 A HA -0.231 4.089 4.320 -0.001 0.000 0.220 403 A C 2.271 179.856 177.584 0.002 0.000 1.177 403 A CA 1.576 53.612 52.037 -0.003 0.000 0.636 403 A CB -0.531 18.470 19.000 0.002 0.000 0.815 403 A HN 0.420 nan 8.150 nan 0.000 0.449 404 R N -0.253 120.242 120.500 -0.007 0.000 2.357 404 R HA 0.026 4.366 4.340 -0.001 0.000 0.202 404 R C 0.996 177.298 176.300 0.004 0.000 1.047 404 R CA 1.265 57.364 56.100 -0.001 0.000 1.034 404 R CB -0.554 29.740 30.300 -0.010 0.000 0.875 404 R HN 0.851 nan 8.270 nan 0.000 0.473 405 I N -3.039 117.535 120.570 0.006 0.000 3.658 405 I HA 0.263 4.432 4.170 -0.001 0.000 0.328 405 I C -0.760 175.374 176.117 0.028 0.000 1.567 405 I CA -0.728 60.583 61.300 0.019 0.000 1.078 405 I CB 0.683 38.697 38.000 0.025 0.000 1.267 405 I HN -0.198 nan 8.210 nan 0.000 0.495 406 K N 1.833 122.247 120.400 0.023 0.000 3.096 406 K HA -0.105 4.214 4.320 -0.001 0.000 0.266 406 K C -0.551 176.068 176.600 0.033 0.000 1.043 406 K CA 0.731 57.034 56.287 0.026 0.000 0.758 406 K CB -2.028 30.488 32.500 0.026 0.000 1.260 406 K HN 0.651 nan 8.250 nan 0.000 0.481 407 I N 0.099 120.691 120.570 0.037 0.000 2.468 407 I HA 0.367 4.537 4.170 -0.001 0.000 0.285 407 I C -0.022 176.125 176.117 0.050 0.000 1.039 407 I CA -0.707 60.626 61.300 0.054 0.000 1.074 407 I CB 2.133 40.191 38.000 0.096 0.000 1.228 407 I HN 0.141 nan 8.210 nan 0.000 0.436 408 A N 7.509 130.357 122.820 0.047 0.000 2.802 408 A HA 0.709 5.029 4.320 -0.001 0.000 0.344 408 A C -2.336 175.281 177.584 0.056 0.000 1.215 408 A CA -1.319 50.746 52.037 0.046 0.000 0.821 408 A CB -0.314 18.707 19.000 0.035 0.000 1.099 408 A HN 0.449 nan 8.150 nan 0.000 0.479 409 P HA 0.325 nan 4.420 nan 0.000 0.269 409 P C 0.201 177.548 177.300 0.078 0.000 1.200 409 P CA 0.466 63.620 63.100 0.091 0.000 0.779 409 P CB 0.424 32.247 31.700 0.205 0.000 0.841 410 Q N 1.320 121.163 119.800 0.072 0.000 2.271 410 Q HA 0.336 4.676 4.340 -0.001 0.000 0.258 410 Q C -0.020 176.131 176.000 0.251 0.000 0.936 410 Q CA -0.861 55.031 55.803 0.148 0.000 0.909 410 Q CB 0.953 29.791 28.738 0.166 0.000 1.253 410 Q HN 0.537 nan 8.270 nan 0.000 0.440 411 R N 2.298 122.909 120.500 0.185 0.000 2.389 411 R HA 0.527 4.867 4.340 -0.001 0.000 0.295 411 R C -0.203 176.184 176.300 0.145 0.000 1.075 411 R CA 0.105 56.302 56.100 0.161 0.000 1.005 411 R CB 0.055 30.419 30.300 0.106 0.000 0.987 411 R HN 0.789 nan 8.270 nan 0.000 0.452 412 I N 1.475 122.116 120.570 0.119 0.000 3.709 412 I HA 0.354 4.524 4.170 -0.001 0.000 0.274 412 I C 0.514 176.657 176.117 0.044 0.000 1.240 412 I CA -1.171 60.149 61.300 0.033 0.000 1.076 412 I CB 1.232 39.203 38.000 -0.049 0.000 1.389 412 I HN 0.519 nan 8.210 nan 0.000 0.529 413 M N -0.303 119.314 119.600 0.029 0.000 1.778 413 M HA 0.240 4.720 4.480 -0.001 0.000 0.200 413 M C 0.177 176.509 176.300 0.054 0.000 1.294 413 M CA 0.343 55.667 55.300 0.040 0.000 0.913 413 M CB 0.556 33.175 32.600 0.032 0.000 1.645 413 M HN 0.659 nan 8.290 nan 0.000 0.598 414 R N 0.982 121.507 120.500 0.042 0.000 2.562 414 R HA 0.400 4.739 4.340 -0.001 0.000 0.298 414 R C 0.673 176.994 176.300 0.035 0.000 0.961 414 R CA -0.272 55.865 56.100 0.063 0.000 0.881 414 R CB 1.525 31.853 30.300 0.047 0.000 1.159 414 R HN 0.073 nan 8.270 nan 0.000 0.450 415 L N 2.889 124.156 121.223 0.073 0.000 2.189 415 L HA -0.159 4.181 4.340 -0.001 0.000 0.214 415 L C 0.841 177.690 176.870 -0.036 0.000 1.097 415 L CA 1.921 56.778 54.840 0.027 0.000 0.764 415 L CB -0.277 41.812 42.059 0.050 0.000 0.900 415 L HN 0.799 nan 8.230 nan 0.000 0.436 416 D N 0.021 120.410 120.400 -0.018 0.000 2.228 416 D HA -0.223 4.417 4.640 -0.001 0.000 0.203 416 D C 1.523 177.773 176.300 -0.083 0.000 0.988 416 D CA 1.374 55.355 54.000 -0.031 0.000 0.864 416 D CB -0.142 40.653 40.800 -0.008 0.000 0.928 416 D HN 0.601 nan 8.370 nan 0.000 0.469 417 E N 0.320 120.440 120.200 -0.133 0.000 2.505 417 E HA 0.140 4.490 4.350 -0.001 0.000 0.197 417 E C 0.279 176.608 176.600 -0.452 0.000 1.111 417 E CA -0.070 56.206 56.400 -0.207 0.000 0.887 417 E CB 0.092 29.684 29.700 -0.180 0.000 0.913 417 E HN 0.099 nan 8.360 nan 0.000 0.517 418 A N 1.869 124.443 122.820 -0.410 0.000 2.478 418 A HA 0.325 4.645 4.320 -0.001 0.000 0.327 418 A C 0.476 178.054 177.584 -0.010 0.000 1.431 418 A CA -0.661 51.091 52.037 -0.476 0.000 1.014 418 A CB 0.171 19.035 19.000 -0.226 0.000 1.143 418 A HN 0.183 nan 8.150 nan 0.000 0.532 419 S N 1.792 117.584 115.700 0.153 0.000 2.566 419 S HA 0.508 4.978 4.470 -0.001 0.000 0.277 419 S C -0.236 174.489 174.600 0.208 0.000 1.150 419 S CA -0.586 57.710 58.200 0.160 0.000 1.032 419 S CB 0.097 63.377 63.200 0.133 0.000 1.157 419 S HN 0.520 nan 8.310 nan 0.000 0.507 420 D N 0.071 120.545 120.400 0.123 0.000 2.302 420 D HA 0.435 5.074 4.640 -0.001 0.000 0.248 420 D C 0.540 176.881 176.300 0.068 0.000 1.094 420 D CA 0.131 54.182 54.000 0.085 0.000 0.897 420 D CB 0.307 41.127 40.800 0.033 0.000 1.200 420 D HN 0.609 nan 8.370 nan 0.000 0.429 421 R N 0.063 120.593 120.500 0.050 0.000 4.016 421 R HA -0.156 4.184 4.340 -0.001 0.000 0.385 421 R C 0.407 176.679 176.300 -0.047 0.000 1.158 421 R CA 0.819 56.928 56.100 0.015 0.000 1.117 421 R CB -1.431 28.871 30.300 0.003 0.000 1.635 421 R HN 0.571 nan 8.270 nan 0.000 0.560 422 G N 0.530 109.287 108.800 -0.072 0.000 2.415 422 G HA2 0.426 4.386 3.960 -0.001 0.000 0.269 422 G HA3 0.426 4.386 3.960 -0.001 0.000 0.269 422 G C -0.295 174.205 174.900 -0.665 0.000 1.209 422 G CA -0.517 44.323 45.100 -0.433 0.000 0.835 422 G HN -0.012 nan 8.290 nan 0.000 0.534 423 R N 1.652 121.686 120.500 -0.777 0.000 2.310 423 R HA 0.280 4.620 4.340 -0.001 0.000 0.316 423 R C -1.195 174.783 176.300 -0.537 0.000 1.004 423 R CA -0.578 55.225 56.100 -0.495 0.000 0.900 423 R CB 0.698 30.886 30.300 -0.188 0.000 1.152 423 R HN 0.605 nan 8.270 nan 0.000 0.513 424 Y N 2.338 122.615 120.300 -0.039 0.000 2.534 424 Y HA 0.627 5.176 4.550 -0.001 0.000 0.329 424 Y C 0.378 176.314 175.900 0.061 0.000 1.154 424 Y CA -1.458 56.656 58.100 0.022 0.000 1.192 424 Y CB 1.432 39.907 38.460 0.024 0.000 1.275 424 Y HN 0.317 nan 8.280 nan 0.000 0.491 425 L N 1.284 122.680 121.223 0.288 0.000 2.476 425 L HA 0.694 5.033 4.340 -0.001 0.000 0.269 425 L C -1.019 175.956 176.870 0.175 0.000 0.965 425 L CA -1.240 53.745 54.840 0.242 0.000 0.845 425 L CB 1.725 43.928 42.059 0.241 0.000 1.259 425 L HN 0.702 nan 8.230 nan 0.000 0.403 426 M N 2.499 122.188 119.600 0.148 0.000 2.465 426 M HA 0.696 5.176 4.480 -0.001 0.000 0.316 426 M C -1.331 175.011 176.300 0.071 0.000 1.121 426 M CA -0.673 54.690 55.300 0.105 0.000 0.934 426 M CB 2.316 34.985 32.600 0.115 0.000 1.692 426 M HN 0.586 nan 8.290 nan 0.000 0.444 427 I N 2.995 123.590 120.570 0.042 0.000 2.347 427 I HA 0.615 4.785 4.170 -0.001 0.000 0.294 427 I C 0.426 176.528 176.117 -0.024 0.000 1.090 427 I CA 0.129 61.438 61.300 0.014 0.000 1.314 427 I CB 0.379 38.388 38.000 0.015 0.000 1.423 427 I HN 0.927 nan 8.210 nan 0.000 0.503 428 G N 3.421 112.194 108.800 -0.044 0.000 2.698 428 G HA2 0.497 4.457 3.960 -0.001 0.000 0.293 428 G HA3 0.497 4.457 3.960 -0.001 0.000 0.293 428 G C 0.142 174.981 174.900 -0.101 0.000 1.437 428 G CA -0.220 44.815 45.100 -0.107 0.000 0.852 428 G HN 0.552 nan 8.290 nan 0.000 0.499 429 A N -0.164 122.583 122.820 -0.121 0.000 2.259 429 A HA 0.484 4.804 4.320 -0.001 0.000 0.212 429 A C 1.736 179.268 177.584 -0.087 0.000 1.178 429 A CA 1.442 53.427 52.037 -0.086 0.000 0.734 429 A CB -0.653 18.306 19.000 -0.068 0.000 0.774 429 A HN 2.082 nan 8.150 nan 0.000 0.481 430 A N 0.259 123.009 122.820 -0.116 0.000 2.545 430 A HA 0.196 4.516 4.320 -0.001 0.000 0.253 430 A C 0.945 178.499 177.584 -0.051 0.000 1.074 430 A CA 0.422 52.417 52.037 -0.071 0.000 0.760 430 A CB -0.049 18.931 19.000 -0.033 0.000 1.005 430 A HN 0.627 nan 8.150 nan 0.000 0.506 431 E N 1.042 121.199 120.200 -0.070 0.000 2.001 431 E HA -0.084 4.266 4.350 -0.001 0.000 0.195 431 E C 0.497 177.041 176.600 -0.092 0.000 1.002 431 E CA 1.846 58.167 56.400 -0.133 0.000 0.819 431 E CB -0.030 29.518 29.700 -0.253 0.000 0.769 431 E HN 0.987 nan 8.360 nan 0.000 0.454 432 H N -2.802 116.264 119.070 -0.006 0.000 3.046 432 H HA 0.465 5.021 4.556 -0.001 0.000 0.363 432 H C 0.217 175.503 175.328 -0.070 0.000 1.203 432 H CA -0.956 55.074 56.048 -0.030 0.000 1.169 432 H CB 0.876 30.632 29.762 -0.010 0.000 1.851 432 H HN 0.219 nan 8.280 nan 0.000 0.546 433 G N 1.040 109.868 108.800 0.047 0.000 2.641 433 G HA2 0.185 4.145 3.960 -0.001 0.000 0.310 433 G HA3 0.185 4.145 3.960 -0.001 0.000 0.310 433 G C -0.543 174.335 174.900 -0.036 0.000 1.291 433 G CA 0.947 45.977 45.100 -0.118 0.000 1.133 433 G HN 0.703 nan 8.290 nan 0.000 0.660 434 F N -4.067 115.876 119.950 -0.011 0.000 2.858 434 F HA 0.632 5.158 4.527 -0.001 0.000 0.319 434 F C -1.169 174.662 175.800 0.052 0.000 1.166 434 F CA -2.356 55.633 58.000 -0.018 0.000 0.899 434 F CB 0.553 39.479 39.000 -0.124 0.000 1.332 434 F HN 0.527 nan 8.300 nan 0.000 0.461 435 V N 1.215 121.383 119.914 0.425 0.000 2.628 435 V HA 0.424 4.544 4.120 -0.001 0.000 0.306 435 V C -1.150 175.055 176.094 0.184 0.000 1.045 435 V CA -0.542 61.955 62.300 0.328 0.000 0.905 435 V CB 1.729 33.715 31.823 0.271 0.000 0.997 435 V HN 0.767 nan 8.190 nan 0.000 0.436 436 D N 2.471 122.966 120.400 0.158 0.000 2.485 436 D HA 0.255 4.895 4.640 -0.001 0.000 0.229 436 D C 1.057 177.346 176.300 -0.018 0.000 1.101 436 D CA 0.000 54.016 54.000 0.026 0.000 0.906 436 D CB 1.596 42.404 40.800 0.013 0.000 1.019 436 D HN 0.620 nan 8.370 nan 0.000 0.516 437 T N 2.137 116.652 114.554 -0.065 0.000 2.529 437 T HA -0.233 4.117 4.350 -0.001 0.000 0.261 437 T C 2.380 177.013 174.700 -0.111 0.000 1.110 437 T CA 2.123 64.183 62.100 -0.066 0.000 1.192 437 T CB -0.612 68.208 68.868 -0.080 0.000 0.864 437 T HN 0.448 nan 8.240 nan 0.000 0.407 438 V N 2.670 122.470 119.914 -0.190 0.000 2.313 438 V HA -0.337 3.783 4.120 -0.001 0.000 0.261 438 V C 2.054 178.078 176.094 -0.117 0.000 1.096 438 V CA 3.098 65.296 62.300 -0.170 0.000 1.090 438 V CB -0.889 30.786 31.823 -0.247 0.000 0.683 438 V HN 0.735 nan 8.190 nan 0.000 0.452 439 R N -0.997 119.442 120.500 -0.102 0.000 2.572 439 R HA 0.345 4.685 4.340 -0.001 0.000 0.370 439 R C 0.659 176.950 176.300 -0.014 0.000 1.005 439 R CA 0.263 56.331 56.100 -0.053 0.000 1.146 439 R CB -0.380 29.897 30.300 -0.038 0.000 1.390 439 R HN 0.598 nan 8.270 nan 0.000 0.553 440 N N 1.510 120.203 118.700 -0.011 0.000 2.607 440 N HA -0.210 4.530 4.740 -0.001 0.000 0.285 440 N C -1.231 174.369 175.510 0.150 0.000 1.151 440 N CA 0.492 53.561 53.050 0.032 0.000 0.749 440 N CB -0.379 38.060 38.487 -0.081 0.000 0.923 440 N HN 0.569 nan 8.380 nan 0.000 0.552 441 L N 1.058 122.426 121.223 0.242 0.000 2.409 441 L HA 0.894 5.233 4.340 -0.001 0.000 0.262 441 L C -0.805 176.302 176.870 0.395 0.000 0.992 441 L CA -0.623 54.408 54.840 0.319 0.000 0.817 441 L CB 1.855 44.058 42.059 0.240 0.000 1.350 441 L HN 0.333 nan 8.230 nan 0.000 0.411 442 A N 4.763 127.780 122.820 0.329 0.000 2.342 442 A HA 0.713 5.032 4.320 -0.001 0.000 0.323 442 A C -1.620 176.054 177.584 0.150 0.000 1.125 442 A CA -0.560 51.605 52.037 0.212 0.000 0.785 442 A CB 1.496 20.456 19.000 -0.066 0.000 1.221 442 A HN 0.632 nan 8.150 nan 0.000 0.463 443 L N 3.953 125.251 121.223 0.125 0.000 2.372 443 L HA 0.567 4.907 4.340 -0.001 0.000 0.273 443 L C -1.524 175.293 176.870 -0.088 0.000 0.989 443 L CA -0.314 54.468 54.840 -0.097 0.000 0.841 443 L CB 1.000 42.693 42.059 -0.610 0.000 1.225 443 L HN 0.721 nan 8.230 nan 0.000 0.414 444 I N 4.481 125.045 120.570 -0.011 0.000 2.390 444 I HA 0.294 4.464 4.170 -0.001 0.000 0.283 444 I C -0.124 176.088 176.117 0.158 0.000 1.016 444 I CA -0.351 61.007 61.300 0.097 0.000 1.151 444 I CB 1.541 39.701 38.000 0.266 0.000 1.293 444 I HN 0.503 nan 8.210 nan 0.000 0.458 445 C N 4.209 123.548 119.300 0.065 0.000 2.398 445 C HA 0.133 4.592 4.460 -0.001 0.000 0.364 445 C C 2.120 177.119 174.990 0.016 0.000 1.219 445 C CA -0.437 58.611 59.018 0.050 0.000 2.312 445 C CB 1.250 29.016 27.740 0.042 0.000 2.428 445 C HN 0.862 nan 8.230 nan 0.000 0.564 446 E N 1.058 121.244 120.200 -0.023 0.000 2.136 446 E HA -0.251 4.099 4.350 -0.001 0.000 0.208 446 E C 1.930 178.484 176.600 -0.077 0.000 1.035 446 E CA 2.214 58.568 56.400 -0.077 0.000 0.838 446 E CB 0.024 29.670 29.700 -0.090 0.000 0.748 446 E HN 0.771 nan 8.360 nan 0.000 0.459 447 S N 0.870 116.551 115.700 -0.032 0.000 2.387 447 S HA -0.184 4.286 4.470 -0.001 0.000 0.230 447 S C 1.388 175.993 174.600 0.008 0.000 1.035 447 S CA 1.432 59.632 58.200 0.000 0.000 1.014 447 S CB -0.295 62.960 63.200 0.092 0.000 0.836 447 S HN 0.360 nan 8.310 nan 0.000 0.466 448 D N 0.701 121.109 120.400 0.013 0.000 2.219 448 D HA -0.007 4.633 4.640 -0.001 0.000 0.205 448 D C 1.559 177.812 176.300 -0.078 0.000 0.970 448 D CA 0.694 54.670 54.000 -0.040 0.000 0.851 448 D CB -0.090 40.678 40.800 -0.052 0.000 0.943 448 D HN 0.258 nan 8.370 nan 0.000 0.488 449 L N -0.509 120.660 121.223 -0.089 0.000 2.298 449 L HA 0.131 4.470 4.340 -0.001 0.000 0.209 449 L C 1.018 177.799 176.870 -0.148 0.000 1.084 449 L CA 0.815 55.581 54.840 -0.123 0.000 0.816 449 L CB 0.198 42.167 42.059 -0.150 0.000 0.967 449 L HN -0.103 nan 8.230 nan 0.000 0.460 450 L N -0.882 120.237 121.223 -0.172 0.000 2.637 450 L HA 0.497 4.836 4.340 -0.001 0.000 0.241 450 L C 0.997 177.704 176.870 -0.272 0.000 1.398 450 L CA -0.058 54.636 54.840 -0.244 0.000 0.895 450 L CB 0.260 42.130 42.059 -0.315 0.000 1.183 450 L HN 0.259 nan 8.230 nan 0.000 0.497 451 G N 1.690 110.384 108.800 -0.177 0.000 2.675 451 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.312 451 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.312 451 G C 0.091 174.949 174.900 -0.070 0.000 1.186 451 G CA 0.649 45.673 45.100 -0.128 0.000 0.965 451 G HN 0.559 nan 8.290 nan 0.000 0.548 452 E N 0.022 120.173 120.200 -0.083 0.000 2.343 452 E HA 0.553 4.903 4.350 -0.001 0.000 0.286 452 E C 0.288 176.879 176.600 -0.015 0.000 0.915 452 E CA -0.701 55.700 56.400 0.002 0.000 0.784 452 E CB 0.889 30.651 29.700 0.103 0.000 1.251 452 E HN 0.834 nan 8.360 nan 0.000 0.407 453 R N 0.927 121.393 120.500 -0.056 0.000 2.944 453 R HA 0.392 4.732 4.340 -0.001 0.000 0.279 453 R C -0.432 175.796 176.300 -0.120 0.000 1.048 453 R CA -0.385 55.671 56.100 -0.073 0.000 1.196 453 R CB -0.085 30.139 30.300 -0.127 0.000 1.134 453 R HN 0.141 nan 8.270 nan 0.000 0.525 454 V N -0.314 119.511 119.914 -0.148 0.000 2.588 454 V HA 0.547 4.666 4.120 -0.001 0.000 0.304 454 V C -0.092 175.828 176.094 -0.290 0.000 1.042 454 V CA -0.921 61.227 62.300 -0.253 0.000 0.877 454 V CB 1.872 33.544 31.823 -0.252 0.000 0.996 454 V HN 0.917 nan 8.190 nan 0.000 0.425 455 A N 4.326 126.911 122.820 -0.391 0.000 3.026 455 A HA 0.584 4.904 4.320 -0.001 0.000 0.272 455 A C 0.252 177.773 177.584 -0.106 0.000 1.782 455 A CA 0.123 51.989 52.037 -0.285 0.000 1.451 455 A CB -0.657 18.186 19.000 -0.261 0.000 1.081 455 A HN 0.681 nan 8.150 nan 0.000 0.611 456 R N 0.316 120.770 120.500 -0.077 0.000 2.621 456 R HA 0.697 5.037 4.340 -0.001 0.000 0.284 456 R C -0.588 175.703 176.300 -0.014 0.000 0.998 456 R CA -0.002 56.081 56.100 -0.028 0.000 0.895 456 R CB 1.015 31.307 30.300 -0.013 0.000 1.195 456 R HN 0.484 nan 8.270 nan 0.000 0.450 457 R N 1.630 122.130 120.500 -0.001 0.000 2.360 457 R HA 0.588 4.928 4.340 -0.001 0.000 0.318 457 R C 0.637 176.945 176.300 0.013 0.000 0.950 457 R CA 0.073 56.176 56.100 0.005 0.000 0.837 457 R CB 0.440 30.743 30.300 0.006 0.000 1.165 457 R HN 0.909 nan 8.270 nan 0.000 0.458 458 R N 0.791 121.300 120.500 0.016 0.000 2.276 458 R HA 0.241 4.580 4.340 -0.001 0.000 0.203 458 R C 1.437 177.748 176.300 0.018 0.000 1.017 458 R CA 1.463 57.575 56.100 0.020 0.000 1.010 458 R CB -1.040 29.274 30.300 0.024 0.000 0.900 458 R HN 1.254 nan 8.270 nan 0.000 0.469 459 Q N -0.137 119.672 119.800 0.015 0.000 2.296 459 Q HA 0.456 4.795 4.340 -0.001 0.000 0.262 459 Q C 0.794 176.801 176.000 0.011 0.000 0.981 459 Q CA 0.340 56.151 55.803 0.013 0.000 0.905 459 Q CB 0.169 28.915 28.738 0.013 0.000 1.186 459 Q HN 0.801 nan 8.270 nan 0.000 0.399 460 D N 0.556 120.962 120.400 0.010 0.000 2.489 460 D HA 0.339 4.978 4.640 -0.001 0.000 0.231 460 D C 2.151 178.452 176.300 0.002 0.000 1.114 460 D CA 1.415 55.420 54.000 0.008 0.000 0.842 460 D CB -0.387 40.422 40.800 0.015 0.000 1.133 460 D HN 1.117 nan 8.370 nan 0.000 0.506 461 S N 0.450 116.151 115.700 0.003 0.000 2.468 461 S HA -0.297 4.172 4.470 -0.001 0.000 0.261 461 S C 2.484 177.081 174.600 -0.006 0.000 1.127 461 S CA 4.150 62.350 58.200 -0.001 0.000 1.092 461 S CB -1.315 61.886 63.200 0.002 0.000 0.945 461 S HN 1.112 nan 8.310 nan 0.000 0.463 462 R N 0.457 120.952 120.500 -0.008 0.000 2.143 462 R HA -0.081 4.259 4.340 -0.001 0.000 0.239 462 R C 1.485 177.771 176.300 -0.022 0.000 1.126 462 R CA 2.041 58.131 56.100 -0.018 0.000 0.927 462 R CB -0.889 29.391 30.300 -0.035 0.000 0.860 462 R HN 0.556 nan 8.270 nan 0.000 0.433 463 R N 0.635 121.124 120.500 -0.019 0.000 2.629 463 R HA 0.262 4.601 4.340 -0.001 0.000 0.277 463 R C -1.124 175.174 176.300 -0.002 0.000 1.637 463 R CA -0.290 55.802 56.100 -0.013 0.000 1.663 463 R CB 0.311 30.602 30.300 -0.015 0.000 1.228 463 R HN 0.404 nan 8.270 nan 0.000 0.632 464 T N 2.604 117.154 114.554 -0.006 0.000 2.728 464 T HA 0.439 4.789 4.350 -0.001 0.000 0.296 464 T C 0.913 175.605 174.700 -0.014 0.000 0.940 464 T CA -0.232 61.865 62.100 -0.005 0.000 1.013 464 T CB 1.155 70.019 68.868 -0.008 0.000 0.912 464 T HN 0.230 nan 8.240 nan 0.000 0.484 465 I N 4.555 125.117 120.570 -0.013 0.000 2.322 465 I HA 0.115 4.284 4.170 -0.001 0.000 0.292 465 I C 0.506 176.591 176.117 -0.052 0.000 1.060 465 I CA -0.748 60.533 61.300 -0.031 0.000 1.309 465 I CB 0.373 38.358 38.000 -0.025 0.000 1.415 465 I HN 0.509 nan 8.210 nan 0.000 0.492 466 N N 9.988 128.653 118.700 -0.059 0.000 2.411 466 N HA -0.007 4.732 4.740 -0.001 0.000 0.265 466 N C -1.290 174.161 175.510 -0.099 0.000 1.266 466 N CA -0.683 52.325 53.050 -0.069 0.000 0.889 466 N CB 0.616 39.062 38.487 -0.069 0.000 1.069 466 N HN 0.448 nan 8.380 nan 0.000 0.476 467 P HA -0.180 nan 4.420 nan 0.000 0.215 467 P C 0.895 178.078 177.300 -0.195 0.000 1.153 467 P CA 1.753 64.760 63.100 -0.156 0.000 0.853 467 P CB 0.158 31.795 31.700 -0.104 0.000 0.788 468 D N -0.133 120.190 120.400 -0.128 0.000 2.096 468 D HA -0.180 4.459 4.640 -0.001 0.000 0.200 468 D C 2.226 178.451 176.300 -0.124 0.000 0.980 468 D CA 3.272 57.204 54.000 -0.112 0.000 0.860 468 D CB -1.759 39.001 40.800 -0.068 0.000 1.005 468 D HN 0.353 nan 8.370 nan 0.000 0.449 469 T N 0.700 115.191 114.554 -0.106 0.000 2.110 469 T HA -0.314 4.036 4.350 -0.001 0.000 0.184 469 T C 2.222 176.845 174.700 -0.128 0.000 1.743 469 T CA 3.036 65.068 62.100 -0.113 0.000 1.046 469 T CB -1.350 67.454 68.868 -0.105 0.000 0.835 469 T HN 0.521 nan 8.240 nan 0.000 0.407 470 L N 0.252 121.395 121.223 -0.134 0.000 2.198 470 L HA -0.222 4.117 4.340 -0.001 0.000 0.218 470 L C 2.709 179.490 176.870 -0.149 0.000 1.084 470 L CA 2.146 56.901 54.840 -0.141 0.000 0.779 470 L CB -0.694 41.278 42.059 -0.144 0.000 0.890 470 L HN 0.629 nan 8.230 nan 0.000 0.439 471 I N -1.693 118.776 120.570 -0.169 0.000 2.685 471 I HA -0.084 4.086 4.170 -0.001 0.000 0.251 471 I C 3.118 179.177 176.117 -0.097 0.000 1.102 471 I CA 0.750 61.959 61.300 -0.151 0.000 1.442 471 I CB -0.687 37.169 38.000 -0.241 0.000 1.194 471 I HN 0.029 nan 8.210 nan 0.000 0.448 472 R N 1.494 121.939 120.500 -0.092 0.000 2.120 472 R HA -0.040 4.299 4.340 -0.001 0.000 0.234 472 R C 1.415 177.675 176.300 -0.067 0.000 1.123 472 R CA 1.841 57.905 56.100 -0.060 0.000 0.975 472 R CB -1.396 28.872 30.300 -0.053 0.000 0.866 472 R HN 0.474 nan 8.270 nan 0.000 0.446 473 N N 0.949 119.592 118.700 -0.094 0.000 2.234 473 N HA 0.120 4.860 4.740 -0.001 0.000 0.227 473 N C 0.005 175.445 175.510 -0.118 0.000 1.151 473 N CA 0.393 53.379 53.050 -0.106 0.000 0.865 473 N CB 0.273 38.674 38.487 -0.143 0.000 1.066 473 N HN 0.566 nan 8.380 nan 0.000 0.515 474 L N -1.720 119.432 121.223 -0.118 0.000 4.035 474 L HA -0.293 4.047 4.340 -0.001 0.000 0.490 474 L C 0.948 177.715 176.870 -0.172 0.000 1.163 474 L CA 0.193 54.945 54.840 -0.148 0.000 0.680 474 L CB -2.039 39.925 42.059 -0.158 0.000 1.409 474 L HN -0.001 nan 8.230 nan 0.000 0.786 475 A N 1.222 123.947 122.820 -0.159 0.000 1.929 475 A HA -0.024 4.296 4.320 -0.001 0.000 0.216 475 A C 1.367 178.849 177.584 -0.170 0.000 1.176 475 A CA 1.529 53.475 52.037 -0.152 0.000 0.628 475 A CB -0.045 18.875 19.000 -0.133 0.000 0.816 475 A HN 0.777 nan 8.150 nan 0.000 0.444 476 E N -0.337 119.738 120.200 -0.207 0.000 3.568 476 E HA 0.303 4.653 4.350 -0.001 0.000 0.213 476 E C -1.640 174.688 176.600 -0.452 0.000 1.197 476 E CA -0.414 55.805 56.400 -0.301 0.000 1.126 476 E CB 0.675 30.247 29.700 -0.212 0.000 1.285 476 E HN 0.264 nan 8.360 nan 0.000 0.418 477 L N 3.004 123.966 121.223 -0.435 0.000 2.278 477 L HA 0.195 4.535 4.340 -0.001 0.000 0.287 477 L C -0.515 176.111 176.870 -0.407 0.000 1.072 477 L CA -0.245 54.324 54.840 -0.452 0.000 0.819 477 L CB 0.063 41.748 42.059 -0.624 0.000 1.176 477 L HN 0.311 nan 8.230 nan 0.000 0.435 478 H N 5.326 124.398 119.070 0.003 0.000 2.467 478 H HA 0.320 4.876 4.556 -0.001 0.000 0.331 478 H C 0.097 175.582 175.328 0.262 0.000 1.120 478 H CA -0.736 55.387 56.048 0.126 0.000 1.270 478 H CB 1.335 31.138 29.762 0.069 0.000 1.466 478 H HN 0.522 nan 8.280 nan 0.000 0.504 479 I N 1.705 122.523 120.570 0.414 0.000 2.906 479 I HA -0.160 4.010 4.170 -0.001 0.000 0.301 479 I C 1.420 177.632 176.117 0.157 0.000 1.221 479 I CA 1.603 63.046 61.300 0.238 0.000 1.435 479 I CB 0.151 38.180 38.000 0.048 0.000 1.345 479 I HN 1.016 nan 8.210 nan 0.000 0.558 480 G N 4.080 112.949 108.800 0.115 0.000 2.259 480 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.217 480 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.217 480 G C 0.189 175.123 174.900 0.057 0.000 1.001 480 G CA -0.556 44.577 45.100 0.055 0.000 0.627 480 G HN 0.589 nan 8.290 nan 0.000 0.501 481 Q N 2.415 122.280 119.800 0.108 0.000 2.332 481 Q HA 0.367 4.707 4.340 -0.001 0.000 0.263 481 Q C -2.242 173.779 176.000 0.035 0.000 0.979 481 Q CA -1.442 54.405 55.803 0.074 0.000 0.885 481 Q CB 1.173 29.963 28.738 0.087 0.000 1.218 481 Q HN 0.297 nan 8.270 nan 0.000 0.405 482 P HA -0.047 nan 4.420 nan 0.000 0.261 482 P C -0.747 176.557 177.300 0.006 0.000 1.203 482 P CA 0.414 63.464 63.100 -0.084 0.000 0.767 482 P CB 0.452 32.014 31.700 -0.230 0.000 0.785 483 V N 4.827 124.719 119.914 -0.035 0.000 2.881 483 V HA 0.439 4.559 4.120 -0.001 0.000 0.316 483 V C 0.398 176.503 176.094 0.017 0.000 1.070 483 V CA -0.858 61.451 62.300 0.015 0.000 0.976 483 V CB 2.468 34.296 31.823 0.009 0.000 1.038 483 V HN 0.243 nan 8.190 nan 0.000 0.446 484 V N 2.181 122.136 119.914 0.069 0.000 2.487 484 V HA 0.407 4.526 4.120 -0.001 0.000 0.298 484 V C -0.728 175.404 176.094 0.063 0.000 1.028 484 V CA -0.578 61.765 62.300 0.071 0.000 0.860 484 V CB 1.509 33.427 31.823 0.158 0.000 0.991 484 V HN 0.885 nan 8.190 nan 0.000 0.427 485 H N 4.931 123.988 119.070 -0.023 0.000 2.504 485 H HA 0.428 4.984 4.556 -0.001 0.000 0.322 485 H C 0.727 176.016 175.328 -0.064 0.000 1.055 485 H CA -0.409 55.645 56.048 0.008 0.000 1.231 485 H CB 1.738 31.580 29.762 0.133 0.000 1.417 485 H HN 0.606 nan 8.280 nan 0.000 0.472 486 L N 3.101 124.434 121.223 0.185 0.000 2.043 486 L HA -0.232 4.108 4.340 -0.001 0.000 0.212 486 L C 1.944 179.050 176.870 0.392 0.000 1.075 486 L CA 1.690 56.713 54.840 0.304 0.000 0.752 486 L CB -0.085 42.083 42.059 0.182 0.000 0.891 486 L HN 0.635 nan 8.230 nan 0.000 0.432 487 E N -1.559 118.820 120.200 0.298 0.000 2.152 487 E HA -0.145 4.205 4.350 -0.001 0.000 0.192 487 E C 1.901 178.130 176.600 -0.618 0.000 0.983 487 E CA 0.840 57.124 56.400 -0.194 0.000 0.818 487 E CB 0.244 29.654 29.700 -0.484 0.000 0.758 487 E HN 0.554 nan 8.360 nan 0.000 0.467 488 H N -2.323 116.526 119.070 -0.368 0.000 2.800 488 H HA 0.362 4.918 4.556 -0.000 0.000 0.257 488 H C 1.117 175.744 175.328 -1.168 0.000 0.967 488 H CA 0.792 56.459 56.048 -0.634 0.000 1.192 488 H CB 1.499 30.805 29.762 -0.760 0.000 1.441 488 H HN 0.214 nan 8.280 nan 0.000 0.461 489 G N 0.690 108.697 108.800 -1.321 0.000 2.255 489 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.216 489 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.216 489 G C -1.242 173.375 174.900 -0.471 0.000 1.307 489 G CA -0.299 43.677 45.100 -1.872 0.000 1.162 489 G HN 0.095 nan 8.290 nan 0.000 0.494 490 V N 2.062 121.966 119.914 -0.017 0.000 2.385 490 V HA 0.655 4.775 4.120 -0.001 0.000 0.269 490 V C 1.211 177.148 176.094 -0.261 0.000 1.043 490 V CA 0.773 63.088 62.300 0.025 0.000 0.906 490 V CB 0.241 32.116 31.823 0.086 0.000 0.995 490 V HN 1.532 nan 8.190 nan 0.000 0.467 491 G N 5.028 113.464 108.800 -0.608 0.000 3.119 491 G HA2 0.707 4.666 3.960 -0.001 0.000 0.206 491 G HA3 0.707 4.666 3.960 -0.001 0.000 0.206 491 G C -0.777 173.840 174.900 -0.471 0.000 1.313 491 G CA -0.854 43.615 45.100 -1.051 0.000 1.010 491 G HN 0.456 nan 8.290 nan 0.000 0.578 492 R N -0.555 119.721 120.500 -0.373 0.000 2.514 492 R HA 0.195 4.535 4.340 -0.001 0.000 0.296 492 R C -1.529 174.729 176.300 -0.070 0.000 1.012 492 R CA -0.784 55.220 56.100 -0.161 0.000 0.897 492 R CB 1.519 31.736 30.300 -0.139 0.000 1.184 492 R HN 0.581 nan 8.270 nan 0.000 0.440 493 Y N 1.942 122.176 120.300 -0.111 0.000 2.895 493 Y HA -0.090 4.459 4.550 -0.001 0.000 0.334 493 Y C 0.577 176.439 175.900 -0.064 0.000 1.261 493 Y CA 0.838 58.895 58.100 -0.072 0.000 1.560 493 Y CB 0.578 39.015 38.460 -0.039 0.000 1.253 493 Y HN 0.768 nan 8.280 nan 0.000 0.582 494 A N 4.081 126.582 122.820 -0.531 0.000 2.508 494 A HA 0.624 4.944 4.320 -0.001 0.000 0.250 494 A C 0.933 178.151 177.584 -0.611 0.000 1.208 494 A CA 0.543 52.304 52.037 -0.461 0.000 0.960 494 A CB -0.453 18.378 19.000 -0.282 0.000 1.099 494 A HN 1.711 nan 8.150 nan 0.000 0.542 495 G N -0.817 107.315 108.800 -1.113 0.000 2.362 495 G HA2 0.143 4.103 3.960 -0.001 0.000 0.517 495 G HA3 0.143 4.103 3.960 -0.001 0.000 0.517 495 G C -0.840 173.912 174.900 -0.248 0.000 1.256 495 G CA -0.419 44.269 45.100 -0.687 0.000 1.027 495 G HN 0.349 nan 8.290 nan 0.000 0.491 496 M N 0.618 120.202 119.600 -0.025 0.000 2.326 496 M HA 0.563 5.043 4.480 -0.001 0.000 0.306 496 M C -0.358 176.001 176.300 0.098 0.000 1.054 496 M CA -0.585 54.770 55.300 0.092 0.000 0.922 496 M CB 2.250 34.954 32.600 0.173 0.000 1.632 496 M HN 0.639 nan 8.290 nan 0.000 0.436 497 T N 0.565 115.207 114.554 0.147 0.000 2.927 497 T HA 0.539 4.888 4.350 -0.001 0.000 0.286 497 T C -0.565 174.243 174.700 0.181 0.000 1.040 497 T CA -0.416 61.771 62.100 0.146 0.000 1.010 497 T CB 2.065 71.029 68.868 0.161 0.000 1.177 497 T HN 0.566 nan 8.240 nan 0.000 0.546 498 T N 2.071 116.701 114.554 0.128 0.000 2.864 498 T HA 0.630 4.979 4.350 -0.001 0.000 0.299 498 T C -0.667 174.069 174.700 0.061 0.000 1.011 498 T CA -0.422 61.758 62.100 0.133 0.000 0.975 498 T CB 0.060 68.986 68.868 0.097 0.000 0.962 498 T HN 0.270 nan 8.240 nan 0.000 0.448 499 L N 2.034 123.286 121.223 0.047 0.000 2.299 499 L HA 0.748 5.088 4.340 -0.001 0.000 0.268 499 L C -0.102 176.755 176.870 -0.021 0.000 1.012 499 L CA -1.232 53.545 54.840 -0.105 0.000 0.816 499 L CB 1.442 43.241 42.059 -0.434 0.000 1.355 499 L HN 0.381 nan 8.230 nan 0.000 0.457 500 E N -0.331 119.826 120.200 -0.072 0.000 2.171 500 E HA 0.621 4.971 4.350 -0.001 0.000 0.271 500 E C -0.715 175.868 176.600 -0.028 0.000 0.916 500 E CA -0.193 56.192 56.400 -0.025 0.000 0.774 500 E CB 1.988 31.667 29.700 -0.034 0.000 1.128 500 E HN 0.608 nan 8.360 nan 0.000 0.403 501 A N 2.423 125.254 122.820 0.019 0.000 3.888 501 A HA 0.611 4.931 4.320 -0.001 0.000 0.158 501 A C 1.001 178.588 177.584 0.005 0.000 1.485 501 A CA -0.022 52.029 52.037 0.023 0.000 1.261 501 A CB -0.531 18.510 19.000 0.068 0.000 1.670 501 A HN 0.648 nan 8.150 nan 0.000 0.661 502 G N -0.619 108.187 108.800 0.009 0.000 3.266 502 G HA2 0.447 4.407 3.960 -0.001 0.000 0.238 502 G HA3 0.447 4.407 3.960 -0.001 0.000 0.238 502 G C 1.002 175.901 174.900 -0.002 0.000 1.076 502 G CA 0.807 45.906 45.100 -0.001 0.000 1.804 502 G HN 2.137 nan 8.290 nan 0.000 0.600 503 G N -0.291 108.508 108.800 -0.002 0.000 2.137 503 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.237 503 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.237 503 G C 0.026 174.930 174.900 0.006 0.000 1.002 503 G CA 0.055 45.154 45.100 -0.002 0.000 0.702 503 G HN 0.472 nan 8.290 nan 0.000 0.515 504 I N 1.237 121.816 120.570 0.015 0.000 2.478 504 I HA 0.306 4.476 4.170 -0.001 0.000 0.287 504 I C 0.480 176.621 176.117 0.040 0.000 1.042 504 I CA -0.580 60.733 61.300 0.023 0.000 1.067 504 I CB 1.413 39.426 38.000 0.023 0.000 1.233 504 I HN -0.018 nan 8.210 nan 0.000 0.431 505 T N 5.482 120.060 114.554 0.039 0.000 2.799 505 T HA 0.479 4.828 4.350 -0.001 0.000 0.296 505 T C 0.527 175.274 174.700 0.078 0.000 0.947 505 T CA -0.157 61.979 62.100 0.060 0.000 1.141 505 T CB 0.738 69.634 68.868 0.046 0.000 0.891 505 T HN 0.839 nan 8.240 nan 0.000 0.533 506 G N 2.257 111.143 108.800 0.144 0.000 2.533 506 G HA2 0.598 4.558 3.960 -0.001 0.000 0.304 506 G HA3 0.598 4.558 3.960 -0.001 0.000 0.304 506 G C -1.300 173.700 174.900 0.168 0.000 1.263 506 G CA -0.687 44.474 45.100 0.101 0.000 0.964 506 G HN 0.645 nan 8.290 nan 0.000 0.479 507 E N -0.575 119.597 120.200 -0.047 0.000 2.242 507 E HA 0.615 4.965 4.350 -0.001 0.000 0.275 507 E C -1.390 175.079 176.600 -0.218 0.000 1.002 507 E CA -0.603 55.808 56.400 0.019 0.000 0.841 507 E CB 1.118 30.811 29.700 -0.012 0.000 1.109 507 E HN 0.401 nan 8.360 nan 0.000 0.394 508 Y N 1.778 122.079 120.300 0.002 0.000 2.524 508 Y HA 0.340 4.889 4.550 -0.001 0.000 0.347 508 Y C -0.820 175.113 175.900 0.054 0.000 1.005 508 Y CA -1.033 57.090 58.100 0.039 0.000 1.025 508 Y CB 1.431 39.983 38.460 0.152 0.000 1.275 508 Y HN 0.436 nan 8.280 nan 0.000 0.460 509 L N 3.921 125.241 121.223 0.161 0.000 2.265 509 L HA 0.548 4.888 4.340 -0.001 0.000 0.288 509 L C -0.823 176.094 176.870 0.078 0.000 1.058 509 L CA -0.337 54.584 54.840 0.135 0.000 0.809 509 L CB 0.394 42.525 42.059 0.120 0.000 1.179 509 L HN 0.617 nan 8.230 nan 0.000 0.429 510 M N 6.567 126.149 119.600 -0.030 0.000 2.188 510 M HA 0.417 4.897 4.480 -0.001 0.000 0.357 510 M C -1.049 175.153 176.300 -0.164 0.000 1.204 510 M CA -0.109 55.057 55.300 -0.224 0.000 1.095 510 M CB 1.055 33.474 32.600 -0.302 0.000 1.604 510 M HN 0.480 nan 8.290 nan 0.000 0.464 511 L N 2.884 124.015 121.223 -0.154 0.000 2.409 511 L HA 0.506 4.846 4.340 -0.001 0.000 0.272 511 L C 0.051 176.860 176.870 -0.103 0.000 0.980 511 L CA -0.762 54.027 54.840 -0.085 0.000 0.826 511 L CB 2.339 44.427 42.059 0.049 0.000 1.268 511 L HN 0.712 nan 8.230 nan 0.000 0.407 512 T N -1.397 113.057 114.554 -0.167 0.000 2.918 512 T HA 0.638 4.988 4.350 -0.001 0.000 0.283 512 T C -0.439 174.138 174.700 -0.204 0.000 1.001 512 T CA -0.283 61.752 62.100 -0.108 0.000 1.041 512 T CB 1.876 70.676 68.868 -0.113 0.000 1.028 512 T HN 0.302 nan 8.240 nan 0.000 0.511 513 Y N -0.050 120.199 120.300 -0.085 0.000 3.323 513 Y HA 0.665 5.215 4.550 -0.001 0.000 0.285 513 Y C 0.939 176.806 175.900 -0.054 0.000 1.897 513 Y CA -0.952 57.108 58.100 -0.067 0.000 0.959 513 Y CB 0.310 38.727 38.460 -0.071 0.000 1.453 513 Y HN 0.980 nan 8.280 nan 0.000 0.602 514 A N 0.842 123.764 122.820 0.169 0.000 2.425 514 A HA 0.197 4.516 4.320 -0.001 0.000 0.242 514 A C 0.158 177.769 177.584 0.045 0.000 1.077 514 A CA 0.149 52.227 52.037 0.068 0.000 0.781 514 A CB -0.591 18.450 19.000 0.068 0.000 1.020 514 A HN 0.875 nan 8.150 nan 0.000 0.494 515 N N 0.938 119.649 118.700 0.019 0.000 2.710 515 N HA -0.181 4.558 4.740 -0.001 0.000 0.249 515 N C -0.666 174.849 175.510 0.009 0.000 1.059 515 N CA 1.304 54.361 53.050 0.011 0.000 0.720 515 N CB -1.275 37.220 38.487 0.012 0.000 0.983 515 N HN 0.748 nan 8.380 nan 0.000 0.544 516 D N -2.805 117.598 120.400 0.005 0.000 2.708 516 D HA -0.199 4.441 4.640 -0.001 0.000 0.236 516 D C 0.360 176.665 176.300 0.009 0.000 1.146 516 D CA 1.398 55.396 54.000 -0.002 0.000 0.662 516 D CB -1.392 39.402 40.800 -0.010 0.000 1.059 516 D HN 0.752 nan 8.370 nan 0.000 0.428 517 A N 0.662 123.501 122.820 0.032 0.000 2.354 517 A HA 0.300 4.620 4.320 -0.001 0.000 0.281 517 A C 0.645 178.250 177.584 0.035 0.000 1.174 517 A CA -0.067 51.987 52.037 0.028 0.000 0.828 517 A CB 0.640 19.654 19.000 0.022 0.000 1.099 517 A HN 0.099 nan 8.150 nan 0.000 0.516 518 K N 2.449 122.849 120.400 -0.001 0.000 2.264 518 K HA 0.336 4.656 4.320 -0.001 0.000 0.277 518 K C -0.995 175.535 176.600 -0.117 0.000 1.067 518 K CA -0.447 55.790 56.287 -0.083 0.000 0.900 518 K CB 1.190 33.604 32.500 -0.143 0.000 1.124 518 K HN 0.634 nan 8.250 nan 0.000 0.469 519 L N 4.134 125.286 121.223 -0.118 0.000 2.292 519 L HA 0.300 4.639 4.340 -0.001 0.000 0.284 519 L C -1.361 175.402 176.870 -0.177 0.000 1.065 519 L CA -0.155 54.620 54.840 -0.108 0.000 0.806 519 L CB 0.323 42.309 42.059 -0.122 0.000 1.175 519 L HN 0.392 nan 8.230 nan 0.000 0.431 520 Y N 4.389 124.702 120.300 0.022 0.000 2.342 520 Y HA 0.517 5.066 4.550 -0.001 0.000 0.338 520 Y C -0.168 175.844 175.900 0.187 0.000 0.965 520 Y CA -0.688 57.473 58.100 0.102 0.000 1.159 520 Y CB 1.588 40.069 38.460 0.036 0.000 1.157 520 Y HN 0.283 nan 8.280 nan 0.000 0.486 521 V N 6.411 126.502 119.914 0.294 0.000 2.370 521 V HA 0.349 4.469 4.120 -0.001 0.000 0.279 521 V C -2.319 173.834 176.094 0.098 0.000 1.029 521 V CA -2.541 59.886 62.300 0.211 0.000 0.870 521 V CB 1.375 33.287 31.823 0.149 0.000 0.984 521 V HN 0.568 nan 8.190 nan 0.000 0.451 522 P HA 0.092 nan 4.420 nan 0.000 0.267 522 P C 1.087 178.218 177.300 -0.281 0.000 1.205 522 P CA 0.166 63.084 63.100 -0.304 0.000 0.765 522 P CB 0.990 32.591 31.700 -0.165 0.000 0.828 523 V N 3.324 122.970 119.914 -0.446 0.000 2.428 523 V HA -0.287 3.832 4.120 -0.001 0.000 0.255 523 V C 1.904 177.835 176.094 -0.272 0.000 1.080 523 V CA 2.868 64.873 62.300 -0.491 0.000 1.083 523 V CB -1.005 30.258 31.823 -0.933 0.000 0.665 523 V HN 0.702 nan 8.190 nan 0.000 0.461 524 S N -2.175 113.413 115.700 -0.188 0.000 2.607 524 S HA 0.018 4.487 4.470 -0.001 0.000 0.224 524 S C 1.448 176.086 174.600 0.063 0.000 0.969 524 S CA 0.854 59.033 58.200 -0.036 0.000 0.927 524 S CB 0.260 63.444 63.200 -0.028 0.000 0.772 524 S HN 0.487 nan 8.310 nan 0.000 0.533 525 S N 0.578 116.264 115.700 -0.023 0.000 2.629 525 S HA 0.353 4.823 4.470 -0.001 0.000 0.236 525 S C 0.944 175.328 174.600 -0.360 0.000 1.010 525 S CA -0.396 57.737 58.200 -0.112 0.000 0.981 525 S CB 0.036 63.193 63.200 -0.072 0.000 0.919 525 S HN 0.259 nan 8.310 nan 0.000 0.514 526 L N 2.621 123.752 121.223 -0.153 0.000 2.357 526 L HA -0.164 4.175 4.340 -0.001 0.000 0.220 526 L C 1.938 178.712 176.870 -0.161 0.000 1.123 526 L CA 1.703 56.463 54.840 -0.133 0.000 0.782 526 L CB -0.888 41.162 42.059 -0.016 0.000 0.910 526 L HN 0.577 nan 8.230 nan 0.000 0.442 527 H N -3.289 115.759 119.070 -0.037 0.000 2.567 527 H HA 0.010 4.565 4.556 -0.001 0.000 0.276 527 H C 1.286 176.581 175.328 -0.055 0.000 1.016 527 H CA 0.657 56.687 56.048 -0.031 0.000 1.186 527 H CB -0.527 29.227 29.762 -0.013 0.000 1.351 527 H HN 0.364 nan 8.280 nan 0.000 0.605 528 L N 0.452 121.368 121.223 -0.513 0.000 2.769 528 L HA 0.357 4.697 4.340 -0.001 0.000 0.240 528 L C -0.084 176.577 176.870 -0.347 0.000 1.163 528 L CA -0.110 54.491 54.840 -0.399 0.000 0.962 528 L CB 0.315 42.022 42.059 -0.586 0.000 1.258 528 L HN 0.253 nan 8.230 nan 0.000 0.513 529 I N -0.832 119.601 120.570 -0.229 0.000 2.569 529 I HA 0.444 4.614 4.170 -0.001 0.000 0.296 529 I C -0.401 175.689 176.117 -0.044 0.000 1.028 529 I CA -0.202 61.016 61.300 -0.137 0.000 1.082 529 I CB 2.259 40.181 38.000 -0.129 0.000 1.264 529 I HN -0.059 nan 8.210 nan 0.000 0.429 530 S N 3.958 119.657 115.700 -0.002 0.000 2.550 530 S HA 0.428 4.898 4.470 -0.001 0.000 0.270 530 S C -0.697 173.933 174.600 0.051 0.000 1.145 530 S CA -0.768 57.448 58.200 0.026 0.000 0.852 530 S CB 2.575 65.808 63.200 0.056 0.000 1.119 530 S HN 0.542 nan 8.310 nan 0.000 0.465 531 R N 1.010 121.534 120.500 0.039 0.000 2.543 531 R HA 0.208 4.548 4.340 -0.001 0.000 0.277 531 R C -0.894 175.494 176.300 0.146 0.000 1.074 531 R CA -0.216 55.922 56.100 0.063 0.000 1.076 531 R CB 0.276 30.582 30.300 0.010 0.000 0.993 531 R HN 0.730 nan 8.270 nan 0.000 0.459 532 Y N 2.381 122.710 120.300 0.047 0.000 2.480 532 Y HA 0.108 4.658 4.550 -0.001 0.000 0.338 532 Y C 0.341 176.302 175.900 0.102 0.000 1.220 532 Y CA 0.987 59.137 58.100 0.083 0.000 1.430 532 Y CB 1.276 39.774 38.460 0.064 0.000 1.311 532 Y HN 0.722 nan 8.280 nan 0.000 0.575 533 A N 4.056 126.587 122.820 -0.482 0.000 1.999 533 A HA 0.304 4.623 4.320 -0.001 0.000 0.200 533 A C 1.332 178.684 177.584 -0.387 0.000 1.363 533 A CA 0.368 52.247 52.037 -0.264 0.000 0.844 533 A CB -1.091 17.900 19.000 -0.016 0.000 0.954 533 A HN 1.097 nan 8.150 nan 0.000 0.481 534 G N 0.069 108.469 108.800 -0.666 0.000 2.732 534 G HA2 0.140 4.100 3.960 -0.001 0.000 0.251 534 G HA3 0.140 4.100 3.960 -0.001 0.000 0.251 534 G C 1.042 175.860 174.900 -0.137 0.000 0.628 534 G CA 0.191 45.099 45.100 -0.320 0.000 1.066 534 G HN 0.996 nan 8.290 nan 0.000 0.296 535 G N 1.382 110.106 108.800 -0.126 0.000 2.615 535 G HA2 0.292 4.252 3.960 -0.001 0.000 0.213 535 G HA3 0.292 4.252 3.960 -0.001 0.000 0.213 535 G C 0.815 175.707 174.900 -0.013 0.000 1.135 535 G CA 1.266 46.306 45.100 -0.099 0.000 0.772 535 G HN 1.529 nan 8.290 nan 0.000 0.542 536 A N -0.681 122.169 122.820 0.050 0.000 2.536 536 A HA 0.699 5.018 4.320 -0.001 0.000 0.329 536 A C 0.821 178.507 177.584 0.169 0.000 1.321 536 A CA 0.636 52.729 52.037 0.093 0.000 0.804 536 A CB 0.567 19.617 19.000 0.084 0.000 1.126 536 A HN 0.300 nan 8.150 nan 0.000 0.480 537 E N 1.116 121.403 120.200 0.145 0.000 2.150 537 E HA -0.050 4.300 4.350 -0.001 0.000 0.193 537 E C 1.712 178.367 176.600 0.092 0.000 0.985 537 E CA 1.915 58.412 56.400 0.163 0.000 0.814 537 E CB -0.778 29.000 29.700 0.130 0.000 0.752 537 E HN 1.064 nan 8.360 nan 0.000 0.466 538 E N 1.152 121.396 120.200 0.072 0.000 2.153 538 E HA -0.096 4.253 4.350 -0.001 0.000 0.194 538 E C 1.005 177.619 176.600 0.024 0.000 0.988 538 E CA 1.009 57.434 56.400 0.041 0.000 0.811 538 E CB -0.333 29.391 29.700 0.041 0.000 0.746 538 E HN 0.501 nan 8.360 nan 0.000 0.466 539 N N 0.221 118.946 118.700 0.042 0.000 2.558 539 N HA 0.581 5.321 4.740 -0.001 0.000 0.242 539 N C -1.320 174.200 175.510 0.018 0.000 0.979 539 N CA 0.335 53.400 53.050 0.025 0.000 0.931 539 N CB 1.511 40.023 38.487 0.042 0.000 1.122 539 N HN 0.460 nan 8.380 nan 0.000 0.508 540 A N 2.975 125.740 122.820 -0.092 0.000 2.422 540 A HA 0.684 5.003 4.320 -0.001 0.000 0.302 540 A C -2.573 174.865 177.584 -0.244 0.000 1.041 540 A CA -1.365 50.506 52.037 -0.277 0.000 0.708 540 A CB 1.125 19.775 19.000 -0.583 0.000 1.257 540 A HN 0.268 nan 8.150 nan 0.000 0.414 541 P HA 0.200 nan 4.420 nan 0.000 0.266 541 P C -0.606 176.510 177.300 -0.308 0.000 1.193 541 P CA 0.119 63.059 63.100 -0.266 0.000 0.770 541 P CB 0.383 31.943 31.700 -0.234 0.000 0.836 542 L N 3.677 124.718 121.223 -0.303 0.000 2.637 542 L HA 0.236 4.576 4.340 -0.001 0.000 0.241 542 L C -0.187 176.624 176.870 -0.098 0.000 1.398 542 L CA -0.478 54.257 54.840 -0.175 0.000 0.895 542 L CB -0.671 41.318 42.059 -0.117 0.000 1.183 542 L HN 0.372 nan 8.230 nan 0.000 0.497 543 H N 1.697 120.835 119.070 0.113 0.000 3.016 543 H HA 0.040 4.595 4.556 -0.001 0.000 0.345 543 H C 0.033 175.477 175.328 0.194 0.000 1.066 543 H CA 0.575 56.727 56.048 0.172 0.000 1.390 543 H CB 0.566 30.436 29.762 0.181 0.000 1.344 543 H HN 0.468 nan 8.280 nan 0.000 0.605 544 K N 2.095 122.626 120.400 0.219 0.000 2.234 544 K HA 0.287 4.606 4.320 -0.001 0.000 0.282 544 K C -0.281 176.328 176.600 0.015 0.000 1.039 544 K CA -0.914 55.441 56.287 0.114 0.000 0.928 544 K CB 1.053 33.600 32.500 0.078 0.000 1.039 544 K HN 0.137 nan 8.250 nan 0.000 0.470 545 L N 3.301 124.464 121.223 -0.101 0.000 2.500 545 L HA 0.149 4.488 4.340 -0.001 0.000 0.272 545 L C 1.124 177.911 176.870 -0.139 0.000 1.149 545 L CA 1.758 56.422 54.840 -0.293 0.000 0.897 545 L CB 0.000 41.836 42.059 -0.372 0.000 1.178 545 L HN 1.086 nan 8.230 nan 0.000 0.473 546 G N 2.405 111.155 108.800 -0.084 0.000 2.176 546 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.232 546 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.232 546 G C 0.571 175.488 174.900 0.028 0.000 0.986 546 G CA -0.092 45.002 45.100 -0.010 0.000 0.643 546 G HN 1.103 nan 8.290 nan 0.000 0.522 547 G N 0.113 108.940 108.800 0.045 0.000 2.616 547 G HA2 0.475 4.435 3.960 -0.001 0.000 0.268 547 G HA3 0.475 4.435 3.960 -0.001 0.000 0.268 547 G C 0.715 175.677 174.900 0.102 0.000 1.213 547 G CA 0.708 45.855 45.100 0.078 0.000 0.926 547 G HN 0.373 nan 8.290 nan 0.000 0.523 548 D N -0.705 119.754 120.400 0.099 0.000 2.277 548 D HA 0.077 4.717 4.640 -0.001 0.000 0.209 548 D C 2.359 178.729 176.300 0.117 0.000 0.970 548 D CA 0.825 54.879 54.000 0.089 0.000 0.874 548 D CB -0.613 40.223 40.800 0.060 0.000 0.982 548 D HN 0.421 nan 8.370 nan 0.000 0.504 549 A N 1.661 124.576 122.820 0.157 0.000 1.882 549 A HA -0.265 4.054 4.320 -0.001 0.000 0.220 549 A C 2.041 179.757 177.584 0.220 0.000 1.253 549 A CA 2.089 54.248 52.037 0.202 0.000 0.664 549 A CB -1.758 17.416 19.000 0.290 0.000 0.838 549 A HN 0.579 nan 8.150 nan 0.000 0.460 550 W N 0.445 121.768 121.300 0.038 0.000 2.248 550 W HA -0.275 4.384 4.660 -0.000 0.000 0.328 550 W C 2.567 179.051 176.519 -0.057 0.000 1.251 550 W CA 2.659 59.935 57.345 -0.114 0.000 1.178 550 W CB -0.872 28.457 29.460 -0.217 0.000 1.167 550 W HN 0.401 nan 8.180 nan 0.000 0.460 551 S N 0.407 116.049 115.700 -0.096 0.000 2.432 551 S HA -0.309 4.161 4.470 -0.001 0.000 0.243 551 S C 1.823 176.291 174.600 -0.218 0.000 1.069 551 S CA 2.178 60.255 58.200 -0.206 0.000 1.047 551 S CB -0.320 62.861 63.200 -0.032 0.000 0.854 551 S HN 0.342 nan 8.310 nan 0.000 0.474 552 R N 0.342 120.765 120.500 -0.129 0.000 2.056 552 R HA 0.106 4.446 4.340 -0.001 0.000 0.227 552 R C 2.766 178.973 176.300 -0.154 0.000 1.149 552 R CA 1.183 57.224 56.100 -0.098 0.000 0.937 552 R CB -0.805 29.480 30.300 -0.024 0.000 0.835 552 R HN 0.412 nan 8.270 nan 0.000 0.430 553 A N 1.421 124.153 122.820 -0.145 0.000 1.997 553 A HA -0.266 4.054 4.320 -0.001 0.000 0.221 553 A C 2.112 179.510 177.584 -0.310 0.000 1.172 553 A CA 1.899 53.845 52.037 -0.153 0.000 0.645 553 A CB -0.596 18.375 19.000 -0.049 0.000 0.813 553 A HN 0.288 nan 8.150 nan 0.000 0.454 554 R N -1.221 118.944 120.500 -0.558 0.000 2.237 554 R HA -0.133 4.207 4.340 -0.001 0.000 0.219 554 R C 2.125 178.232 176.300 -0.322 0.000 1.080 554 R CA 1.586 57.328 56.100 -0.596 0.000 0.995 554 R CB -0.103 29.680 30.300 -0.861 0.000 0.875 554 R HN 0.582 nan 8.270 nan 0.000 0.462 555 Q N 0.767 120.423 119.800 -0.240 0.000 2.274 555 Q HA -0.031 4.309 4.340 -0.001 0.000 0.198 555 Q C 1.727 177.655 176.000 -0.119 0.000 0.955 555 Q CA 1.599 57.309 55.803 -0.156 0.000 0.859 555 Q CB -0.126 28.540 28.738 -0.120 0.000 0.956 555 Q HN 0.167 nan 8.270 nan 0.000 0.516 556 K N -0.148 120.193 120.400 -0.099 0.000 2.144 556 K HA -0.245 4.074 4.320 -0.001 0.000 0.209 556 K C 1.766 178.329 176.600 -0.061 0.000 1.047 556 K CA 1.663 57.913 56.287 -0.061 0.000 0.927 556 K CB -0.374 32.105 32.500 -0.036 0.000 0.716 556 K HN 0.270 nan 8.250 nan 0.000 0.454 557 A N 0.895 123.663 122.820 -0.086 0.000 1.858 557 A HA -0.080 4.240 4.320 -0.001 0.000 0.216 557 A C 2.377 179.880 177.584 -0.136 0.000 1.190 557 A CA 1.903 53.888 52.037 -0.086 0.000 0.617 557 A CB -0.949 17.990 19.000 -0.102 0.000 0.827 557 A HN 0.513 nan 8.150 nan 0.000 0.443 558 A N -0.378 122.351 122.820 -0.151 0.000 1.978 558 A HA -0.187 4.133 4.320 -0.001 0.000 0.220 558 A C 1.888 179.402 177.584 -0.116 0.000 1.170 558 A CA 1.795 53.740 52.037 -0.152 0.000 0.636 558 A CB -0.515 18.404 19.000 -0.135 0.000 0.810 558 A HN 0.672 nan 8.150 nan 0.000 0.448 559 E N -0.347 119.800 120.200 -0.089 0.000 2.017 559 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 559 E C 2.613 179.181 176.600 -0.054 0.000 0.997 559 E CA 1.829 58.191 56.400 -0.063 0.000 0.804 559 E CB -0.251 29.421 29.700 -0.047 0.000 0.757 559 E HN 0.612 nan 8.360 nan 0.000 0.448 560 K N 0.959 121.333 120.400 -0.044 0.000 2.032 560 K HA -0.128 4.192 4.320 -0.001 0.000 0.209 560 K C 2.166 178.743 176.600 -0.038 0.000 1.048 560 K CA 1.603 57.878 56.287 -0.020 0.000 0.927 560 K CB -1.384 31.124 32.500 0.013 0.000 0.712 560 K HN 0.026 nan 8.250 nan 0.000 0.441 561 V N 1.151 121.005 119.914 -0.100 0.000 2.453 561 V HA -0.274 3.846 4.120 -0.001 0.000 0.252 561 V C 2.683 178.714 176.094 -0.105 0.000 1.068 561 V CA 2.257 64.461 62.300 -0.159 0.000 1.070 561 V CB -0.446 31.178 31.823 -0.330 0.000 0.664 561 V HN 0.680 nan 8.190 nan 0.000 0.461 562 R N -0.319 120.130 120.500 -0.085 0.000 2.075 562 R HA -0.120 4.220 4.340 -0.001 0.000 0.226 562 R C 2.015 178.292 176.300 -0.038 0.000 1.114 562 R CA 1.602 57.664 56.100 -0.063 0.000 0.972 562 R CB -0.340 29.925 30.300 -0.059 0.000 0.869 562 R HN 0.497 nan 8.270 nan 0.000 0.437 563 D N 0.399 120.781 120.400 -0.029 0.000 2.104 563 D HA -0.152 4.487 4.640 -0.001 0.000 0.194 563 D C 1.990 178.288 176.300 -0.003 0.000 0.994 563 D CA 1.371 55.363 54.000 -0.012 0.000 0.830 563 D CB -0.178 40.619 40.800 -0.005 0.000 0.959 563 D HN 0.084 nan 8.370 nan 0.000 0.452 564 V N 1.818 121.733 119.914 0.001 0.000 2.233 564 V HA -0.266 3.853 4.120 -0.001 0.000 0.247 564 V C 2.645 178.744 176.094 0.009 0.000 1.050 564 V CA 2.006 64.317 62.300 0.017 0.000 1.010 564 V CB -0.965 30.882 31.823 0.039 0.000 0.637 564 V HN 0.195 nan 8.190 nan 0.000 0.444 565 A N -0.352 122.462 122.820 -0.010 0.000 2.032 565 A HA -0.183 4.137 4.320 -0.001 0.000 0.221 565 A C 2.299 179.875 177.584 -0.013 0.000 1.165 565 A CA 2.422 54.448 52.037 -0.018 0.000 0.645 565 A CB -0.675 18.300 19.000 -0.041 0.000 0.807 565 A HN 0.622 nan 8.150 nan 0.000 0.453 566 A N -0.925 121.888 122.820 -0.011 0.000 1.832 566 A HA 0.206 4.526 4.320 -0.001 0.000 0.214 566 A C 2.177 179.766 177.584 0.007 0.000 1.242 566 A CA 2.255 54.289 52.037 -0.006 0.000 0.603 566 A CB -1.365 17.630 19.000 -0.008 0.000 0.902 566 A HN 0.846 nan 8.150 nan 0.000 0.455 567 E N 0.086 120.292 120.200 0.011 0.000 2.164 567 E HA -0.275 4.074 4.350 -0.001 0.000 0.206 567 E C 1.910 178.529 176.600 0.031 0.000 1.032 567 E CA 1.967 58.379 56.400 0.019 0.000 0.832 567 E CB -1.188 28.524 29.700 0.020 0.000 0.742 567 E HN 0.587 nan 8.360 nan 0.000 0.460 568 L N -0.798 120.446 121.223 0.035 0.000 1.973 568 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 568 L C 3.025 179.936 176.870 0.068 0.000 1.073 568 L CA 1.452 56.325 54.840 0.056 0.000 0.746 568 L CB -0.572 41.518 42.059 0.050 0.000 0.891 568 L HN 0.307 nan 8.230 nan 0.000 0.433 569 L N 0.401 121.643 121.223 0.033 0.000 2.103 569 L HA -0.303 4.037 4.340 -0.001 0.000 0.215 569 L C 2.477 179.378 176.870 0.052 0.000 1.080 569 L CA 1.784 56.636 54.840 0.020 0.000 0.764 569 L CB -0.733 41.317 42.059 -0.016 0.000 0.890 569 L HN 0.588 nan 8.230 nan 0.000 0.435 570 D N -0.385 120.042 120.400 0.046 0.000 2.213 570 D HA -0.147 4.493 4.640 -0.001 0.000 0.205 570 D C 2.154 178.494 176.300 0.066 0.000 0.961 570 D CA 0.838 54.866 54.000 0.047 0.000 0.853 570 D CB -0.248 40.568 40.800 0.027 0.000 0.967 570 D HN 0.393 nan 8.370 nan 0.000 0.496 571 I N -0.094 120.518 120.570 0.070 0.000 2.286 571 I HA -0.257 3.913 4.170 -0.001 0.000 0.248 571 I C 2.478 178.650 176.117 0.092 0.000 1.115 571 I CA 1.074 62.412 61.300 0.064 0.000 1.392 571 I CB -0.282 37.750 38.000 0.053 0.000 1.065 571 I HN -0.010 nan 8.210 nan 0.000 0.418 572 Y N 1.253 121.553 120.300 -0.001 0.000 2.184 572 Y HA -0.205 4.345 4.550 -0.001 0.000 0.290 572 Y C 2.606 178.505 175.900 -0.001 0.000 1.129 572 Y CA 1.468 59.568 58.100 -0.000 0.000 1.144 572 Y CB -0.123 38.338 38.460 0.001 0.000 0.995 572 Y HN 0.103 nan 8.280 nan 0.000 0.513 573 A N 0.498 123.497 122.820 0.298 0.000 1.892 573 A HA -0.314 4.006 4.320 -0.001 0.000 0.218 573 A C 2.041 179.681 177.584 0.093 0.000 1.188 573 A CA 2.244 54.392 52.037 0.185 0.000 0.631 573 A CB -0.906 18.155 19.000 0.102 0.000 0.822 573 A HN 0.682 nan 8.150 nan 0.000 0.447 574 Q N -1.232 118.604 119.800 0.059 0.000 2.030 574 Q HA -0.194 4.146 4.340 -0.001 0.000 0.204 574 Q C 2.396 178.393 176.000 -0.005 0.000 0.986 574 Q CA 1.656 57.472 55.803 0.022 0.000 0.843 574 Q CB -0.248 28.499 28.738 0.014 0.000 0.904 574 Q HN 0.646 nan 8.270 nan 0.000 0.420 575 R N 0.116 120.596 120.500 -0.034 0.000 2.241 575 R HA -0.092 4.248 4.340 -0.001 0.000 0.224 575 R C 1.768 178.016 176.300 -0.087 0.000 1.101 575 R CA 0.932 56.985 56.100 -0.079 0.000 0.995 575 R CB -0.060 30.154 30.300 -0.142 0.000 0.870 575 R HN 0.237 nan 8.270 nan 0.000 0.463 576 A N -0.407 122.378 122.820 -0.059 0.000 2.169 576 A HA 0.137 4.457 4.320 -0.001 0.000 0.212 576 A C 1.705 179.288 177.584 -0.001 0.000 1.153 576 A CA 0.984 53.006 52.037 -0.026 0.000 0.756 576 A CB 0.099 19.137 19.000 0.063 0.000 0.813 576 A HN 0.368 nan 8.150 nan 0.000 0.471 577 A N -1.003 121.818 122.820 0.001 0.000 2.430 577 A HA 0.368 4.688 4.320 -0.001 0.000 0.243 577 A C 0.726 178.307 177.584 -0.005 0.000 1.254 577 A CA -0.057 51.982 52.037 0.003 0.000 0.914 577 A CB -0.047 18.958 19.000 0.009 0.000 0.998 577 A HN 0.310 nan 8.150 nan 0.000 0.515 578 K N 0.668 121.060 120.400 -0.013 0.000 2.164 578 K HA 0.396 4.716 4.320 -0.001 0.000 0.258 578 K C -0.722 175.871 176.600 -0.012 0.000 0.951 578 K CA -0.519 55.760 56.287 -0.013 0.000 0.844 578 K CB 1.052 33.542 32.500 -0.016 0.000 1.099 578 K HN 0.142 nan 8.250 nan 0.000 0.435 579 E N 1.474 121.669 120.200 -0.008 0.000 2.259 579 E HA 0.236 4.586 4.350 -0.001 0.000 0.281 579 E C -0.103 176.501 176.600 0.008 0.000 1.037 579 E CA 0.175 56.571 56.400 -0.006 0.000 0.854 579 E CB 1.264 30.959 29.700 -0.009 0.000 1.051 579 E HN 0.712 nan 8.360 nan 0.000 0.409 580 G N 3.455 112.265 108.800 0.017 0.000 2.727 580 G HA2 0.313 4.273 3.960 -0.001 0.000 0.212 580 G HA3 0.313 4.273 3.960 -0.001 0.000 0.212 580 G C -1.072 173.909 174.900 0.136 0.000 2.076 580 G CA -0.192 44.945 45.100 0.060 0.000 0.744 580 G HN 0.473 nan 8.290 nan 0.000 0.775 581 F N 0.460 120.366 119.950 -0.073 0.000 2.683 581 F HA 0.616 5.142 4.527 -0.001 0.000 0.333 581 F C -0.089 175.617 175.800 -0.156 0.000 1.160 581 F CA -1.004 56.900 58.000 -0.161 0.000 1.099 581 F CB 0.983 39.827 39.000 -0.261 0.000 1.344 581 F HN 0.590 nan 8.300 nan 0.000 0.534 582 A N 4.037 126.524 122.820 -0.556 0.000 2.313 582 A HA 0.582 4.902 4.320 -0.001 0.000 0.261 582 A C -0.581 176.796 177.584 -0.345 0.000 1.090 582 A CA 0.009 51.874 52.037 -0.287 0.000 0.807 582 A CB 0.314 19.150 19.000 -0.273 0.000 1.055 582 A HN 0.833 nan 8.150 nan 0.000 0.492 583 F N -0.246 119.671 119.950 -0.054 0.000 2.798 583 F HA 0.221 4.748 4.527 -0.001 0.000 0.328 583 F C 0.917 176.740 175.800 0.038 0.000 1.098 583 F CA 0.237 58.268 58.000 0.051 0.000 1.172 583 F CB 0.188 39.242 39.000 0.090 0.000 1.072 583 F HN 0.796 nan 8.300 nan 0.000 0.555 584 K N -0.405 120.077 120.400 0.138 0.000 1.898 584 K HA -0.375 3.945 4.320 -0.001 0.000 0.256 584 K C 0.172 176.914 176.600 0.237 0.000 1.652 584 K CA 1.906 58.273 56.287 0.133 0.000 0.589 584 K CB -0.680 31.885 32.500 0.107 0.000 0.785 584 K HN 0.414 nan 8.250 nan 0.000 0.824 585 H N -0.362 118.753 119.070 0.075 0.000 3.199 585 H HA 0.066 4.621 4.556 -0.001 0.000 0.108 585 H C -1.681 173.709 175.328 0.103 0.000 1.305 585 H CA 1.296 57.379 56.048 0.058 0.000 0.762 585 H CB 0.294 30.063 29.762 0.011 0.000 0.842 585 H HN 0.727 nan 8.280 nan 0.000 0.181 586 D N 0.765 121.155 120.400 -0.016 0.000 3.948 586 D HA -0.100 4.540 4.640 -0.001 0.000 0.244 586 D C 0.630 176.863 176.300 -0.112 0.000 1.039 586 D CA 0.587 54.571 54.000 -0.026 0.000 1.099 586 D CB -0.315 40.510 40.800 0.042 0.000 0.877 586 D HN 0.471 nan 8.370 nan 0.000 0.401 587 R N 1.675 122.168 120.500 -0.012 0.000 2.174 587 R HA -0.192 4.147 4.340 -0.001 0.000 0.253 587 R C 1.789 178.163 176.300 0.123 0.000 1.165 587 R CA 1.730 57.884 56.100 0.090 0.000 0.984 587 R CB -0.046 30.347 30.300 0.154 0.000 0.873 587 R HN 0.655 nan 8.270 nan 0.000 0.456 588 E N -0.093 120.168 120.200 0.101 0.000 2.016 588 E HA -0.157 4.193 4.350 -0.001 0.000 0.190 588 E C 2.063 178.760 176.600 0.160 0.000 0.985 588 E CA 0.546 57.013 56.400 0.112 0.000 0.802 588 E CB -0.045 29.713 29.700 0.097 0.000 0.762 588 E HN 0.221 nan 8.360 nan 0.000 0.448 589 Q N 0.207 120.133 119.800 0.211 0.000 2.077 589 Q HA -0.218 4.122 4.340 -0.001 0.000 0.206 589 Q C 2.057 178.290 176.000 0.388 0.000 0.989 589 Q CA 1.441 57.467 55.803 0.372 0.000 0.853 589 Q CB -0.588 28.390 28.738 0.400 0.000 0.907 589 Q HN 0.372 nan 8.270 nan 0.000 0.418 590 Y N 1.471 121.842 120.300 0.118 0.000 2.097 590 Y HA -0.273 4.276 4.550 -0.000 0.000 0.282 590 Y C 2.431 178.319 175.900 -0.020 0.000 1.152 590 Y CA 2.308 60.398 58.100 -0.015 0.000 1.136 590 Y CB -0.602 37.790 38.460 -0.112 0.000 0.975 590 Y HN 0.203 nan 8.280 nan 0.000 0.498 591 Q N -0.225 119.508 119.800 -0.111 0.000 2.248 591 Q HA -0.197 4.142 4.340 -0.001 0.000 0.208 591 Q C 2.119 178.044 176.000 -0.124 0.000 0.984 591 Q CA 1.839 57.527 55.803 -0.192 0.000 0.875 591 Q CB -0.260 28.457 28.738 -0.036 0.000 0.910 591 Q HN 0.640 nan 8.270 nan 0.000 0.433 592 L N -0.805 120.430 121.223 0.020 0.000 2.131 592 L HA -0.090 4.250 4.340 -0.001 0.000 0.206 592 L C 2.117 179.100 176.870 0.188 0.000 1.087 592 L CA 0.516 55.434 54.840 0.130 0.000 0.767 592 L CB -0.335 41.883 42.059 0.264 0.000 0.917 592 L HN 0.286 nan 8.230 nan 0.000 0.441 593 F N 0.428 120.282 119.950 -0.161 0.000 2.102 593 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 593 F C 2.523 178.094 175.800 -0.382 0.000 1.105 593 F CA 1.370 59.049 58.000 -0.535 0.000 1.239 593 F CB -0.636 37.354 39.000 -1.683 0.000 0.991 593 F HN 0.049 nan 8.300 nan 0.000 0.474 594 C N 0.860 119.904 119.300 -0.427 0.000 2.403 594 C HA -0.205 4.254 4.460 -0.001 0.000 0.282 594 C C 2.466 177.313 174.990 -0.238 0.000 1.297 594 C CA 1.062 59.855 59.018 -0.375 0.000 1.785 594 C CB -1.339 26.157 27.740 -0.406 0.000 1.963 594 C HN 0.498 nan 8.230 nan 0.000 0.507 595 D N 0.884 121.174 120.400 -0.183 0.000 2.149 595 D HA -0.098 4.542 4.640 -0.001 0.000 0.198 595 D C 1.987 178.212 176.300 -0.125 0.000 0.990 595 D CA 1.346 55.270 54.000 -0.127 0.000 0.839 595 D CB -0.324 40.436 40.800 -0.066 0.000 0.948 595 D HN 0.436 nan 8.370 nan 0.000 0.460 596 S N -0.341 115.266 115.700 -0.155 0.000 2.720 596 S HA -0.024 4.446 4.470 -0.001 0.000 0.222 596 S C 0.379 174.951 174.600 -0.047 0.000 0.958 596 S CA -0.186 57.942 58.200 -0.120 0.000 0.943 596 S CB -0.135 62.963 63.200 -0.170 0.000 0.779 596 S HN 0.183 nan 8.310 nan 0.000 0.526 597 F N 2.902 122.723 119.950 -0.214 0.000 2.872 597 F HA 0.333 4.859 4.527 -0.001 0.000 0.365 597 F C -2.748 173.033 175.800 -0.030 0.000 1.296 597 F CA -2.418 55.541 58.000 -0.068 0.000 1.199 597 F CB 1.293 40.193 39.000 -0.166 0.000 1.687 597 F HN -0.111 nan 8.300 nan 0.000 0.604 598 P HA 0.176 nan 4.420 nan 0.000 0.225 598 P C -1.206 175.405 177.300 -1.148 0.000 1.768 598 P CA 0.516 63.186 63.100 -0.716 0.000 0.943 598 P CB -0.640 30.664 31.700 -0.660 0.000 1.936 599 F N -0.845 118.630 119.950 -0.791 0.000 2.591 599 F HA 0.282 4.809 4.527 -0.001 0.000 0.309 599 F C 0.675 176.278 175.800 -0.327 0.000 1.098 599 F CA -1.271 56.386 58.000 -0.573 0.000 0.937 599 F CB 1.855 40.481 39.000 -0.623 0.000 1.250 599 F HN -0.077 nan 8.300 nan 0.000 0.447 600 E N 1.850 122.084 120.200 0.057 0.000 2.465 600 E HA 0.179 4.529 4.350 -0.001 0.000 0.260 600 E C -0.538 176.159 176.600 0.162 0.000 0.980 600 E CA -0.129 56.317 56.400 0.076 0.000 0.927 600 E CB 0.750 30.483 29.700 0.054 0.000 0.934 600 E HN 0.638 nan 8.360 nan 0.000 0.459 601 T N 1.847 116.499 114.554 0.163 0.000 2.875 601 T HA 0.273 4.622 4.350 -0.001 0.000 0.284 601 T C 0.268 175.036 174.700 0.113 0.000 0.995 601 T CA -0.939 61.270 62.100 0.182 0.000 1.060 601 T CB 1.553 70.533 68.868 0.187 0.000 0.967 601 T HN 0.359 nan 8.240 nan 0.000 0.476 602 T N 4.605 119.218 114.554 0.098 0.000 2.855 602 T HA 0.162 4.512 4.350 -0.001 0.000 0.314 602 T C -1.365 173.370 174.700 0.058 0.000 1.077 602 T CA -0.780 61.361 62.100 0.068 0.000 1.095 602 T CB 0.408 69.310 68.868 0.057 0.000 0.987 602 T HN 0.451 nan 8.240 nan 0.000 0.546 603 P HA -0.031 nan 4.420 nan 0.000 0.217 603 P C 1.135 178.457 177.300 0.036 0.000 1.151 603 P CA 0.672 63.796 63.100 0.040 0.000 0.828 603 P CB 0.167 31.887 31.700 0.033 0.000 0.788 604 D N -0.959 119.460 120.400 0.032 0.000 2.123 604 D HA -0.189 4.450 4.640 -0.001 0.000 0.196 604 D C 2.031 178.348 176.300 0.027 0.000 0.992 604 D CA 1.151 55.167 54.000 0.026 0.000 0.833 604 D CB -0.392 40.421 40.800 0.023 0.000 0.954 604 D HN 0.207 nan 8.370 nan 0.000 0.455 605 Q N 0.069 119.889 119.800 0.033 0.000 1.993 605 Q HA -0.132 4.208 4.340 -0.001 0.000 0.202 605 Q C 2.102 178.125 176.000 0.039 0.000 0.984 605 Q CA 1.745 57.567 55.803 0.032 0.000 0.837 605 Q CB -0.126 28.638 28.738 0.042 0.000 0.902 605 Q HN 0.205 nan 8.270 nan 0.000 0.423 606 A N 0.456 123.308 122.820 0.055 0.000 1.940 606 A HA -0.277 4.042 4.320 -0.001 0.000 0.219 606 A C 1.970 179.582 177.584 0.046 0.000 1.176 606 A CA 1.713 53.789 52.037 0.065 0.000 0.631 606 A CB -0.733 18.312 19.000 0.075 0.000 0.814 606 A HN 0.567 nan 8.150 nan 0.000 0.446 607 Q N -0.828 118.993 119.800 0.036 0.000 2.077 607 Q HA -0.231 4.108 4.340 -0.001 0.000 0.206 607 Q C 2.368 178.379 176.000 0.019 0.000 0.989 607 Q CA 1.768 57.587 55.803 0.026 0.000 0.853 607 Q CB -0.334 28.418 28.738 0.023 0.000 0.907 607 Q HN 0.695 nan 8.270 nan 0.000 0.418 608 A N 0.496 123.327 122.820 0.018 0.000 1.873 608 A HA -0.175 4.145 4.320 -0.001 0.000 0.215 608 A C 1.955 179.542 177.584 0.006 0.000 1.186 608 A CA 1.224 53.267 52.037 0.011 0.000 0.616 608 A CB -0.660 18.346 19.000 0.010 0.000 0.823 608 A HN 0.396 nan 8.150 nan 0.000 0.442 609 I N 0.397 120.977 120.570 0.016 0.000 2.091 609 I HA -0.329 3.840 4.170 -0.001 0.000 0.239 609 I C 2.090 178.200 176.117 -0.011 0.000 1.061 609 I CA 1.598 62.909 61.300 0.019 0.000 1.317 609 I CB -0.636 37.403 38.000 0.065 0.000 1.031 609 I HN 0.338 nan 8.210 nan 0.000 0.401 610 N N 1.174 119.871 118.700 -0.005 0.000 2.205 610 N HA -0.167 4.572 4.740 -0.001 0.000 0.186 610 N C 1.817 177.295 175.510 -0.052 0.000 1.015 610 N CA 1.618 54.643 53.050 -0.043 0.000 0.862 610 N CB -0.420 38.058 38.487 -0.014 0.000 0.986 610 N HN 0.433 nan 8.380 nan 0.000 0.429 611 A N 0.818 123.622 122.820 -0.027 0.000 1.873 611 A HA -0.038 4.282 4.320 -0.001 0.000 0.215 611 A C 2.533 180.095 177.584 -0.036 0.000 1.186 611 A CA 1.124 53.147 52.037 -0.023 0.000 0.616 611 A CB -0.679 18.318 19.000 -0.005 0.000 0.823 611 A HN 0.108 nan 8.150 nan 0.000 0.442 612 V N 0.004 119.895 119.914 -0.040 0.000 2.453 612 V HA -0.191 3.928 4.120 -0.001 0.000 0.247 612 V C 2.522 178.563 176.094 -0.088 0.000 1.048 612 V CA 1.672 63.941 62.300 -0.053 0.000 1.049 612 V CB -0.633 31.164 31.823 -0.043 0.000 0.672 612 V HN 0.537 nan 8.190 nan 0.000 0.457 613 L N -0.379 120.777 121.223 -0.111 0.000 2.056 613 L HA -0.142 4.198 4.340 -0.001 0.000 0.207 613 L C 2.731 179.505 176.870 -0.159 0.000 1.078 613 L CA 1.761 56.497 54.840 -0.174 0.000 0.749 613 L CB -0.648 41.254 42.059 -0.262 0.000 0.901 613 L HN 0.391 nan 8.230 nan 0.000 0.433 614 S N 0.206 115.830 115.700 -0.127 0.000 2.354 614 S HA -0.259 4.210 4.470 -0.001 0.000 0.219 614 S C 1.617 176.187 174.600 -0.049 0.000 1.035 614 S CA 2.048 60.194 58.200 -0.091 0.000 1.037 614 S CB -0.324 62.838 63.200 -0.064 0.000 0.956 614 S HN 0.403 nan 8.310 nan 0.000 0.428 615 D N 0.654 121.030 120.400 -0.039 0.000 2.220 615 D HA -0.146 4.493 4.640 -0.001 0.000 0.198 615 D C 1.918 178.221 176.300 0.006 0.000 1.001 615 D CA 1.387 55.374 54.000 -0.020 0.000 0.875 615 D CB -0.237 40.546 40.800 -0.028 0.000 0.921 615 D HN 0.449 nan 8.370 nan 0.000 0.454 616 M N -0.783 118.809 119.600 -0.014 0.000 2.200 616 M HA -0.094 4.386 4.480 -0.001 0.000 0.265 616 M C 1.666 178.097 176.300 0.219 0.000 1.066 616 M CA 0.806 56.133 55.300 0.045 0.000 1.127 616 M CB 0.167 32.644 32.600 -0.206 0.000 1.379 616 M HN 0.114 nan 8.290 nan 0.000 0.420 617 C N 0.531 119.886 119.300 0.093 0.000 2.522 617 C HA 0.041 4.501 4.460 -0.001 0.000 0.271 617 C C 0.966 175.981 174.990 0.041 0.000 1.425 617 C CA -0.093 58.979 59.018 0.091 0.000 1.751 617 C CB -1.463 26.282 27.740 0.007 0.000 1.775 617 C HN 0.443 nan 8.230 nan 0.000 0.557 618 Q N 0.814 120.635 119.800 0.035 0.000 2.243 618 Q HA 0.180 4.519 4.340 -0.001 0.000 0.252 618 Q C -1.910 174.094 176.000 0.007 0.000 0.909 618 Q CA -1.652 54.155 55.803 0.007 0.000 0.922 618 Q CB 0.903 29.641 28.738 0.000 0.000 1.215 618 Q HN 0.076 nan 8.270 nan 0.000 0.427 619 P HA -0.131 nan 4.420 nan 0.000 0.261 619 P C -0.965 176.328 177.300 -0.012 0.000 1.277 619 P CA 1.193 64.269 63.100 -0.039 0.000 0.748 619 P CB -0.019 31.650 31.700 -0.053 0.000 1.062 620 L N -1.440 119.785 121.223 0.002 0.000 2.386 620 L HA 0.597 4.937 4.340 -0.001 0.000 0.271 620 L C 0.382 177.257 176.870 0.008 0.000 0.993 620 L CA -1.603 53.234 54.840 -0.005 0.000 0.819 620 L CB 1.655 43.697 42.059 -0.029 0.000 1.294 620 L HN -0.273 nan 8.230 nan 0.000 0.414 621 A N 4.070 126.891 122.820 0.002 0.000 2.587 621 A HA 0.169 4.489 4.320 -0.001 0.000 0.235 621 A C -0.010 177.557 177.584 -0.028 0.000 1.044 621 A CA 0.300 52.340 52.037 0.004 0.000 0.754 621 A CB 0.180 19.168 19.000 -0.020 0.000 0.968 621 A HN 0.822 nan 8.150 nan 0.000 0.509 622 M N 1.814 121.409 119.600 -0.009 0.000 2.342 622 M HA 0.454 4.933 4.480 -0.001 0.000 0.332 622 M C -1.004 175.263 176.300 -0.056 0.000 1.166 622 M CA -0.131 55.147 55.300 -0.037 0.000 1.086 622 M CB 1.208 33.795 32.600 -0.021 0.000 1.541 622 M HN 0.681 nan 8.290 nan 0.000 0.462 623 D N 3.317 123.677 120.400 -0.068 0.000 2.826 623 D HA 0.293 4.933 4.640 -0.001 0.000 0.239 623 D C -1.365 174.911 176.300 -0.040 0.000 1.329 623 D CA -0.156 53.809 54.000 -0.059 0.000 0.854 623 D CB 0.805 41.559 40.800 -0.077 0.000 1.494 623 D HN 0.663 nan 8.370 nan 0.000 0.540 624 R N 0.771 121.256 120.500 -0.026 0.000 2.691 624 R HA 0.760 5.100 4.340 -0.001 0.000 0.259 624 R C -0.938 175.364 176.300 0.004 0.000 1.048 624 R CA -1.008 55.088 56.100 -0.006 0.000 1.086 624 R CB 1.715 32.010 30.300 -0.008 0.000 1.166 624 R HN 0.279 nan 8.270 nan 0.000 0.526 625 L N 0.903 122.136 121.223 0.017 0.000 2.408 625 L HA 0.497 4.837 4.340 -0.001 0.000 0.268 625 L C -1.642 175.242 176.870 0.023 0.000 0.986 625 L CA -0.574 54.280 54.840 0.023 0.000 0.820 625 L CB 2.323 44.401 42.059 0.032 0.000 1.303 625 L HN 0.269 nan 8.230 nan 0.000 0.411 626 V N 3.365 123.293 119.914 0.024 0.000 2.577 626 V HA 0.441 4.561 4.120 -0.001 0.000 0.303 626 V C -0.885 175.223 176.094 0.024 0.000 1.042 626 V CA -0.545 61.767 62.300 0.020 0.000 0.872 626 V CB 1.770 33.602 31.823 0.015 0.000 0.998 626 V HN 0.933 nan 8.190 nan 0.000 0.423 627 C N 3.880 123.191 119.300 0.018 0.000 2.294 627 C HA 0.915 5.374 4.460 -0.001 0.000 0.319 627 C C 0.886 175.881 174.990 0.008 0.000 1.164 627 C CA -0.641 58.385 59.018 0.014 0.000 1.497 627 C CB -0.462 27.282 27.740 0.006 0.000 2.061 627 C HN 1.058 nan 8.230 nan 0.000 0.438 628 G N 2.520 111.325 108.800 0.009 0.000 3.222 628 G HA2 0.803 4.763 3.960 -0.001 0.000 0.263 628 G HA3 0.803 4.763 3.960 -0.001 0.000 0.263 628 G C -1.214 173.688 174.900 0.003 0.000 1.312 628 G CA -0.332 44.770 45.100 0.004 0.000 0.934 628 G HN 0.634 nan 8.290 nan 0.000 0.577 629 D N -1.820 118.581 120.400 0.000 0.000 2.624 629 D HA 0.346 4.986 4.640 -0.001 0.000 0.257 629 D C 0.021 176.318 176.300 -0.006 0.000 1.167 629 D CA -0.557 53.444 54.000 0.001 0.000 1.086 629 D CB 1.256 42.059 40.800 0.006 0.000 1.210 629 D HN 0.142 nan 8.370 nan 0.000 0.631 630 V N 0.125 120.036 119.914 -0.006 0.000 2.933 630 V HA 0.349 4.468 4.120 -0.001 0.000 0.374 630 V C 0.909 177.000 176.094 -0.004 0.000 1.321 630 V CA -0.325 61.965 62.300 -0.017 0.000 1.290 630 V CB 0.048 31.862 31.823 -0.015 0.000 1.346 630 V HN 0.617 nan 8.190 nan 0.000 0.560 631 G N -0.787 108.016 108.800 0.004 0.000 2.544 631 G HA2 0.255 4.215 3.960 -0.001 0.000 0.242 631 G HA3 0.255 4.215 3.960 -0.001 0.000 0.242 631 G C -0.396 174.531 174.900 0.045 0.000 1.247 631 G CA -0.336 44.787 45.100 0.039 0.000 0.840 631 G HN 0.284 nan 8.290 nan 0.000 0.578 632 F N 1.447 121.361 119.950 -0.060 0.000 2.569 632 F HA 0.341 4.868 4.527 -0.000 0.000 0.395 632 F C 1.390 177.169 175.800 -0.035 0.000 1.028 632 F CA 1.372 59.322 58.000 -0.083 0.000 1.158 632 F CB 0.319 39.231 39.000 -0.146 0.000 1.023 632 F HN 0.940 nan 8.300 nan 0.000 0.547 633 G N 4.321 112.786 108.800 -0.557 0.000 2.179 633 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.220 633 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.220 633 G C 1.111 175.828 174.900 -0.305 0.000 0.990 633 G CA 0.069 44.891 45.100 -0.464 0.000 0.646 633 G HN 0.527 nan 8.290 nan 0.000 0.517 634 K N 1.032 121.310 120.400 -0.203 0.000 2.442 634 K HA 0.010 4.330 4.320 -0.001 0.000 0.198 634 K C 2.539 179.045 176.600 -0.156 0.000 1.042 634 K CA 1.672 57.880 56.287 -0.131 0.000 0.958 634 K CB -0.669 31.786 32.500 -0.075 0.000 0.766 634 K HN 0.723 nan 8.250 nan 0.000 0.474 635 T N -0.834 113.578 114.554 -0.237 0.000 2.951 635 T HA -0.016 4.334 4.350 -0.001 0.000 0.268 635 T C 1.563 176.117 174.700 -0.244 0.000 1.073 635 T CA 0.405 62.369 62.100 -0.227 0.000 1.134 635 T CB 0.043 68.733 68.868 -0.296 0.000 0.884 635 T HN 0.059 nan 8.240 nan 0.000 0.479 636 E N 1.098 121.081 120.200 -0.362 0.000 2.147 636 E HA -0.125 4.224 4.350 -0.001 0.000 0.199 636 E C 2.354 178.869 176.600 -0.141 0.000 1.005 636 E CA 0.965 57.144 56.400 -0.369 0.000 0.810 636 E CB -0.588 28.757 29.700 -0.591 0.000 0.736 636 E HN 0.435 nan 8.360 nan 0.000 0.460 637 V N 1.457 121.316 119.914 -0.092 0.000 2.220 637 V HA -0.312 3.808 4.120 -0.001 0.000 0.246 637 V C 2.505 178.611 176.094 0.020 0.000 1.049 637 V CA 2.143 64.432 62.300 -0.019 0.000 1.003 637 V CB -0.997 30.818 31.823 -0.013 0.000 0.634 637 V HN 0.308 nan 8.190 nan 0.000 0.444 638 A N -0.674 122.162 122.820 0.028 0.000 1.908 638 A HA -0.248 4.072 4.320 -0.001 0.000 0.218 638 A C 2.215 179.908 177.584 0.181 0.000 1.181 638 A CA 2.241 54.340 52.037 0.104 0.000 0.627 638 A CB -0.497 18.588 19.000 0.142 0.000 0.818 638 A HN 0.430 nan 8.150 nan 0.000 0.445 639 M N -0.283 119.374 119.600 0.094 0.000 2.126 639 M HA -0.149 4.331 4.480 -0.001 0.000 0.259 639 M C 2.189 178.690 176.300 0.334 0.000 1.073 639 M CA 1.801 57.241 55.300 0.234 0.000 1.103 639 M CB -1.510 31.134 32.600 0.073 0.000 1.284 639 M HN 0.423 nan 8.290 nan 0.000 0.420 640 R N 0.011 120.659 120.500 0.248 0.000 2.117 640 R HA -0.112 4.228 4.340 -0.001 0.000 0.243 640 R C 2.277 178.659 176.300 0.136 0.000 1.143 640 R CA 1.460 57.703 56.100 0.238 0.000 0.968 640 R CB -0.812 29.651 30.300 0.272 0.000 0.863 640 R HN 0.461 nan 8.270 nan 0.000 0.444 641 A N 1.731 124.603 122.820 0.088 0.000 1.851 641 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 641 A C 2.477 180.043 177.584 -0.031 0.000 1.195 641 A CA 1.948 53.979 52.037 -0.010 0.000 0.622 641 A CB -0.866 18.128 19.000 -0.009 0.000 0.831 641 A HN 0.408 nan 8.150 nan 0.000 0.444 642 A N -1.442 121.434 122.820 0.093 0.000 1.902 642 A HA -0.071 4.249 4.320 -0.001 0.000 0.217 642 A C 2.067 179.688 177.584 0.062 0.000 1.181 642 A CA 1.716 53.803 52.037 0.084 0.000 0.623 642 A CB -0.773 18.366 19.000 0.231 0.000 0.818 642 A HN 0.769 nan 8.150 nan 0.000 0.443 643 F N 0.320 120.231 119.950 -0.066 0.000 2.126 643 F HA -0.192 4.335 4.527 -0.001 0.000 0.299 643 F C 1.801 177.437 175.800 -0.274 0.000 1.096 643 F CA 1.857 59.614 58.000 -0.405 0.000 1.255 643 F CB -0.301 37.945 39.000 -1.257 0.000 0.997 643 F HN 0.218 nan 8.300 nan 0.000 0.479 644 L N 0.686 121.782 121.223 -0.212 0.000 2.141 644 L HA 0.018 4.358 4.340 -0.001 0.000 0.209 644 L C 2.299 179.022 176.870 -0.246 0.000 1.094 644 L CA 2.016 56.716 54.840 -0.232 0.000 0.763 644 L CB -1.357 40.610 42.059 -0.152 0.000 0.908 644 L HN 0.169 nan 8.230 nan 0.000 0.437 645 A N -1.727 120.929 122.820 -0.275 0.000 2.016 645 A HA -0.052 4.268 4.320 -0.001 0.000 0.217 645 A C 2.323 179.906 177.584 -0.000 0.000 1.162 645 A CA 1.397 53.381 52.037 -0.088 0.000 0.662 645 A CB -0.778 18.127 19.000 -0.159 0.000 0.812 645 A HN 0.279 nan 8.150 nan 0.000 0.450 646 V N 0.171 119.986 119.914 -0.165 0.000 2.649 646 V HA -0.115 4.005 4.120 -0.001 0.000 0.248 646 V C 1.927 177.834 176.094 -0.311 0.000 1.054 646 V CA 2.228 64.415 62.300 -0.188 0.000 1.073 646 V CB -0.099 31.625 31.823 -0.165 0.000 0.699 646 V HN 0.657 nan 8.190 nan 0.000 0.463 647 D N -0.062 120.065 120.400 -0.455 0.000 2.378 647 D HA -0.115 4.524 4.640 -0.001 0.000 0.222 647 D C 1.540 177.693 176.300 -0.244 0.000 0.980 647 D CA 0.947 54.666 54.000 -0.467 0.000 0.907 647 D CB -0.173 40.230 40.800 -0.661 0.000 0.899 647 D HN 0.483 nan 8.370 nan 0.000 0.527 648 N N -0.518 118.138 118.700 -0.073 0.000 2.214 648 N HA 0.007 4.747 4.740 -0.001 0.000 0.214 648 N C -0.650 175.002 175.510 0.236 0.000 1.132 648 N CA -0.010 53.148 53.050 0.180 0.000 0.856 648 N CB 0.234 38.929 38.487 0.347 0.000 1.020 648 N HN 0.223 nan 8.380 nan 0.000 0.509 649 H N -0.250 118.838 119.070 0.030 0.000 2.748 649 H HA -0.119 4.437 4.556 -0.001 0.000 0.322 649 H C -0.679 174.643 175.328 -0.010 0.000 1.208 649 H CA 0.772 56.828 56.048 0.012 0.000 1.151 649 H CB -1.400 28.372 29.762 0.017 0.000 1.505 649 H HN 0.060 nan 8.280 nan 0.000 0.429 650 K N 1.284 121.710 120.400 0.044 0.000 2.397 650 K HA 0.331 4.650 4.320 -0.001 0.000 0.253 650 K C 0.213 176.803 176.600 -0.017 0.000 0.932 650 K CA -0.739 55.548 56.287 -0.000 0.000 0.795 650 K CB 2.201 34.712 32.500 0.019 0.000 1.159 650 K HN 0.315 nan 8.250 nan 0.000 0.424 651 Q N 0.899 120.684 119.800 -0.025 0.000 2.394 651 Q HA 0.330 4.670 4.340 -0.001 0.000 0.248 651 Q C -0.266 175.683 176.000 -0.084 0.000 0.992 651 Q CA -0.411 55.381 55.803 -0.018 0.000 0.888 651 Q CB 1.111 29.905 28.738 0.093 0.000 1.257 651 Q HN 0.192 nan 8.270 nan 0.000 0.462 652 V N 0.878 120.729 119.914 -0.105 0.000 2.588 652 V HA 0.695 4.815 4.120 -0.001 0.000 0.304 652 V C -0.708 175.286 176.094 -0.166 0.000 1.042 652 V CA -0.766 61.434 62.300 -0.167 0.000 0.877 652 V CB 1.678 33.382 31.823 -0.198 0.000 0.996 652 V HN 0.857 nan 8.190 nan 0.000 0.425 653 A N 4.059 126.756 122.820 -0.206 0.000 2.355 653 A HA 0.938 5.258 4.320 -0.001 0.000 0.324 653 A C -0.987 176.490 177.584 -0.177 0.000 1.117 653 A CA -0.607 51.338 52.037 -0.153 0.000 0.785 653 A CB 1.805 20.690 19.000 -0.192 0.000 1.254 653 A HN 0.816 nan 8.150 nan 0.000 0.453 654 V N 3.076 122.889 119.914 -0.169 0.000 2.447 654 V HA 0.358 4.478 4.120 -0.001 0.000 0.292 654 V C -0.428 175.580 176.094 -0.143 0.000 1.021 654 V CA -0.288 61.905 62.300 -0.178 0.000 0.850 654 V CB 1.084 32.767 31.823 -0.234 0.000 1.005 654 V HN 0.782 nan 8.190 nan 0.000 0.426 655 L N 5.480 126.632 121.223 -0.119 0.000 2.325 655 L HA 0.832 5.171 4.340 -0.001 0.000 0.279 655 L C -0.273 176.650 176.870 0.089 0.000 1.054 655 L CA -0.743 54.066 54.840 -0.050 0.000 0.804 655 L CB 1.904 43.857 42.059 -0.176 0.000 1.200 655 L HN 0.643 nan 8.230 nan 0.000 0.436 656 V N 0.524 120.585 119.914 0.246 0.000 2.888 656 V HA 0.430 4.550 4.120 -0.001 0.000 0.309 656 V C -2.528 173.647 176.094 0.135 0.000 1.114 656 V CA -1.550 60.887 62.300 0.229 0.000 0.940 656 V CB 1.881 33.740 31.823 0.060 0.000 1.021 656 V HN 0.431 nan 8.190 nan 0.000 0.426 657 P HA -0.011 nan 4.420 nan 0.000 0.214 657 P C 0.656 177.736 177.300 -0.366 0.000 1.163 657 P CA 1.689 64.241 63.100 -0.912 0.000 0.883 657 P CB 0.140 31.361 31.700 -0.799 0.000 0.788 658 T N -3.029 111.402 114.554 -0.205 0.000 2.885 658 T HA 0.299 4.649 4.350 -0.001 0.000 0.285 658 T C 1.172 175.802 174.700 -0.117 0.000 1.019 658 T CA -0.429 61.595 62.100 -0.126 0.000 1.010 658 T CB 0.749 69.552 68.868 -0.108 0.000 1.022 658 T HN -0.170 nan 8.240 nan 0.000 0.466 659 T N 4.098 118.554 114.554 -0.164 0.000 2.665 659 T HA -0.103 4.247 4.350 -0.001 0.000 0.268 659 T C 2.044 176.589 174.700 -0.260 0.000 1.035 659 T CA 1.777 63.700 62.100 -0.295 0.000 1.151 659 T CB -0.483 68.069 68.868 -0.528 0.000 0.862 659 T HN 0.571 nan 8.240 nan 0.000 0.438 660 L N 0.283 121.408 121.223 -0.164 0.000 2.089 660 L HA -0.171 4.169 4.340 -0.001 0.000 0.213 660 L C 2.490 179.355 176.870 -0.008 0.000 1.079 660 L CA 1.245 56.055 54.840 -0.050 0.000 0.758 660 L CB -0.595 41.468 42.059 0.006 0.000 0.891 660 L HN 0.295 nan 8.230 nan 0.000 0.433 661 L N -1.123 120.098 121.223 -0.003 0.000 2.044 661 L HA -0.176 4.164 4.340 -0.001 0.000 0.205 661 L C 2.895 179.861 176.870 0.160 0.000 1.075 661 L CA 1.083 55.968 54.840 0.076 0.000 0.747 661 L CB -0.703 41.413 42.059 0.095 0.000 0.903 661 L HN 0.253 nan 8.230 nan 0.000 0.435 662 A N -0.081 122.788 122.820 0.081 0.000 1.869 662 A HA -0.370 3.949 4.320 -0.001 0.000 0.218 662 A C 2.145 179.826 177.584 0.161 0.000 1.203 662 A CA 2.433 54.522 52.037 0.085 0.000 0.638 662 A CB -0.807 18.157 19.000 -0.060 0.000 0.831 662 A HN 0.458 nan 8.150 nan 0.000 0.450 663 Q N -0.454 119.398 119.800 0.086 0.000 1.985 663 Q HA -0.289 4.051 4.340 -0.001 0.000 0.207 663 Q C 2.274 178.403 176.000 0.213 0.000 0.996 663 Q CA 2.782 58.705 55.803 0.200 0.000 0.851 663 Q CB -0.572 28.273 28.738 0.179 0.000 0.921 663 Q HN 0.754 nan 8.270 nan 0.000 0.418 664 Q N -1.214 118.663 119.800 0.128 0.000 2.082 664 Q HA -0.302 4.038 4.340 -0.001 0.000 0.211 664 Q C 2.096 178.147 176.000 0.086 0.000 1.002 664 Q CA 1.999 57.839 55.803 0.062 0.000 0.868 664 Q CB -0.363 28.361 28.738 -0.022 0.000 0.931 664 Q HN 0.646 nan 8.270 nan 0.000 0.414 665 H N -0.907 118.254 119.070 0.151 0.000 2.352 665 H HA -0.189 4.366 4.556 -0.001 0.000 0.299 665 H C 1.866 177.436 175.328 0.402 0.000 1.097 665 H CA 1.744 57.935 56.048 0.238 0.000 1.311 665 H CB -0.601 29.305 29.762 0.240 0.000 1.377 665 H HN 0.512 nan 8.280 nan 0.000 0.504 666 Y N 1.726 122.204 120.300 0.297 0.000 2.081 666 Y HA -0.282 4.267 4.550 -0.001 0.000 0.280 666 Y C 2.238 178.269 175.900 0.218 0.000 1.163 666 Y CA 1.189 59.424 58.100 0.224 0.000 1.135 666 Y CB 0.097 38.637 38.460 0.133 0.000 0.970 666 Y HN 0.158 nan 8.280 nan 0.000 0.498 667 D N 0.219 120.683 120.400 0.106 0.000 2.108 667 D HA -0.251 4.389 4.640 -0.001 0.000 0.190 667 D C 1.662 177.992 176.300 0.051 0.000 0.995 667 D CA 1.960 55.939 54.000 -0.035 0.000 0.834 667 D CB -0.876 39.919 40.800 -0.009 0.000 0.967 667 D HN 0.538 nan 8.370 nan 0.000 0.446 668 N N -0.367 118.364 118.700 0.053 0.000 2.091 668 N HA -0.186 4.553 4.740 -0.001 0.000 0.193 668 N C 1.926 177.447 175.510 0.018 0.000 1.021 668 N CA 0.827 53.866 53.050 -0.018 0.000 0.862 668 N CB -0.243 38.164 38.487 -0.133 0.000 1.018 668 N HN 0.090 nan 8.380 nan 0.000 0.429 669 F N 1.085 121.131 119.950 0.159 0.000 2.146 669 F HA -0.040 4.487 4.527 -0.001 0.000 0.298 669 F C 2.607 178.538 175.800 0.218 0.000 1.096 669 F CA 0.922 59.039 58.000 0.194 0.000 1.275 669 F CB -0.018 39.047 39.000 0.109 0.000 1.008 669 F HN -0.070 nan 8.300 nan 0.000 0.480 670 R N 0.367 121.059 120.500 0.320 0.000 2.073 670 R HA -0.169 4.171 4.340 -0.001 0.000 0.234 670 R C 1.722 178.158 176.300 0.228 0.000 1.134 670 R CA 1.822 58.056 56.100 0.223 0.000 0.952 670 R CB -0.461 29.856 30.300 0.028 0.000 0.850 670 R HN 0.260 nan 8.270 nan 0.000 0.433 671 D N -0.360 120.137 120.400 0.162 0.000 2.269 671 D HA -0.125 4.515 4.640 -0.001 0.000 0.208 671 D C 1.842 178.247 176.300 0.175 0.000 0.963 671 D CA 0.632 54.717 54.000 0.142 0.000 0.864 671 D CB -0.080 40.771 40.800 0.086 0.000 0.936 671 D HN 0.005 nan 8.370 nan 0.000 0.505 672 R N -0.067 120.574 120.500 0.235 0.000 2.127 672 R HA 0.053 4.393 4.340 -0.001 0.000 0.217 672 R C 0.967 177.428 176.300 0.267 0.000 1.074 672 R CA 0.299 56.509 56.100 0.183 0.000 0.991 672 R CB -0.331 30.075 30.300 0.175 0.000 0.895 672 R HN 0.156 nan 8.270 nan 0.000 0.450 673 F N 0.063 120.182 119.950 0.281 0.000 2.639 673 F HA 0.330 4.856 4.527 -0.001 0.000 0.300 673 F C 1.719 177.772 175.800 0.423 0.000 1.109 673 F CA -0.051 58.191 58.000 0.404 0.000 1.335 673 F CB -0.154 39.080 39.000 0.389 0.000 1.014 673 F HN -0.029 nan 8.300 nan 0.000 0.537 674 A N 0.259 123.346 122.820 0.445 0.000 1.986 674 A HA -0.222 4.097 4.320 -0.001 0.000 0.220 674 A C 1.841 179.606 177.584 0.303 0.000 1.171 674 A CA 1.802 54.027 52.037 0.313 0.000 0.640 674 A CB -0.452 18.674 19.000 0.210 0.000 0.811 674 A HN 0.301 nan 8.150 nan 0.000 0.451 675 N N -1.503 117.425 118.700 0.381 0.000 2.322 675 N HA 0.153 4.893 4.740 -0.001 0.000 0.216 675 N C -1.242 174.279 175.510 0.019 0.000 1.144 675 N CA 0.172 53.330 53.050 0.180 0.000 0.830 675 N CB 0.026 38.560 38.487 0.079 0.000 1.034 675 N HN 0.596 nan 8.380 nan 0.000 0.484 676 W N 0.331 121.763 121.300 0.219 0.000 2.950 676 W HA 0.396 5.056 4.660 -0.001 0.000 0.340 676 W C -1.934 174.721 176.519 0.228 0.000 1.139 676 W CA -1.731 55.766 57.345 0.253 0.000 1.188 676 W CB 0.795 30.479 29.460 0.374 0.000 1.426 676 W HN -0.172 nan 8.180 nan 0.000 0.531 677 P HA 0.087 nan 4.420 nan 0.000 0.237 677 P C -0.526 176.937 177.300 0.271 0.000 1.723 677 P CA 0.278 63.532 63.100 0.257 0.000 0.882 677 P CB -0.088 31.718 31.700 0.178 0.000 1.810 678 V N 1.963 122.085 119.914 0.347 0.000 2.370 678 V HA 0.271 4.390 4.120 -0.001 0.000 0.279 678 V C 0.753 176.937 176.094 0.149 0.000 1.029 678 V CA -0.748 61.699 62.300 0.245 0.000 0.870 678 V CB 1.042 33.054 31.823 0.316 0.000 0.984 678 V HN 0.151 nan 8.190 nan 0.000 0.451 679 R N 5.046 125.595 120.500 0.082 0.000 2.389 679 R HA 0.673 5.013 4.340 -0.001 0.000 0.295 679 R C -0.681 175.621 176.300 0.003 0.000 1.075 679 R CA 0.095 56.229 56.100 0.057 0.000 1.005 679 R CB 0.489 30.812 30.300 0.038 0.000 0.987 679 R HN 0.624 nan 8.270 nan 0.000 0.452 680 I N 1.021 121.612 120.570 0.035 0.000 2.647 680 I HA 0.431 4.601 4.170 -0.001 0.000 0.295 680 I C -0.454 175.660 176.117 -0.005 0.000 1.078 680 I CA -0.919 60.374 61.300 -0.010 0.000 1.048 680 I CB 2.397 40.441 38.000 0.074 0.000 1.239 680 I HN 0.532 nan 8.210 nan 0.000 0.421 681 E N 5.034 125.120 120.200 -0.189 0.000 2.412 681 E HA 0.618 4.968 4.350 -0.001 0.000 0.279 681 E C -1.679 174.598 176.600 -0.538 0.000 0.984 681 E CA -0.752 55.444 56.400 -0.340 0.000 0.788 681 E CB 2.446 32.038 29.700 -0.180 0.000 1.277 681 E HN 0.551 nan 8.360 nan 0.000 0.455 682 M N 3.757 122.968 119.600 -0.648 0.000 2.464 682 M HA 0.562 5.042 4.480 -0.001 0.000 0.308 682 M C -1.588 174.552 176.300 -0.267 0.000 1.127 682 M CA -0.819 54.182 55.300 -0.498 0.000 0.913 682 M CB 1.244 33.446 32.600 -0.663 0.000 1.689 682 M HN 0.427 nan 8.290 nan 0.000 0.445 683 I N 4.131 124.581 120.570 -0.199 0.000 2.382 683 I HA 0.594 4.763 4.170 -0.001 0.000 0.286 683 I C -0.492 175.536 176.117 -0.148 0.000 1.002 683 I CA 0.122 61.335 61.300 -0.145 0.000 1.135 683 I CB 1.122 39.040 38.000 -0.137 0.000 1.288 683 I HN 0.960 nan 8.210 nan 0.000 0.448 684 S N 5.654 121.280 115.700 -0.123 0.000 2.656 684 S HA 0.428 4.898 4.470 -0.001 0.000 0.265 684 S C 0.710 175.253 174.600 -0.095 0.000 1.132 684 S CA -0.899 57.203 58.200 -0.165 0.000 0.819 684 S CB 1.657 64.711 63.200 -0.243 0.000 1.119 684 S HN 0.557 nan 8.310 nan 0.000 0.476 685 R N -0.228 120.197 120.500 -0.125 0.000 2.174 685 R HA -0.047 4.292 4.340 -0.001 0.000 0.253 685 R C 0.763 177.216 176.300 0.255 0.000 1.165 685 R CA 1.943 58.061 56.100 0.030 0.000 0.984 685 R CB -0.616 29.708 30.300 0.040 0.000 0.873 685 R HN 0.687 nan 8.270 nan 0.000 0.456 686 F N 0.804 120.750 119.950 -0.006 0.000 2.726 686 F HA 0.119 4.645 4.527 -0.000 0.000 0.296 686 F C 0.365 176.168 175.800 0.005 0.000 1.250 686 F CA -0.321 57.685 58.000 0.011 0.000 1.434 686 F CB 0.163 39.184 39.000 0.035 0.000 1.043 686 F HN -0.202 nan 8.300 nan 0.000 0.508 687 R N 0.268 120.864 120.500 0.159 0.000 2.508 687 R HA 0.159 4.499 4.340 -0.001 0.000 0.283 687 R C -0.313 176.013 176.300 0.043 0.000 1.120 687 R CA -0.355 55.790 56.100 0.076 0.000 0.958 687 R CB 1.872 32.192 30.300 0.033 0.000 1.215 687 R HN 0.139 nan 8.270 nan 0.000 0.427 688 S N 0.907 116.627 115.700 0.032 0.000 2.596 688 S HA 0.219 4.689 4.470 -0.001 0.000 0.260 688 S C 1.468 176.071 174.600 0.005 0.000 1.336 688 S CA 0.055 58.267 58.200 0.019 0.000 0.993 688 S CB 1.035 64.243 63.200 0.014 0.000 0.923 688 S HN 0.676 nan 8.310 nan 0.000 0.567 689 A N 1.278 124.099 122.820 0.002 0.000 1.858 689 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 689 A C 2.168 179.745 177.584 -0.012 0.000 1.190 689 A CA 1.924 53.956 52.037 -0.007 0.000 0.617 689 A CB -1.151 17.846 19.000 -0.004 0.000 0.827 689 A HN 0.979 nan 8.150 nan 0.000 0.443 690 K N 0.002 120.397 120.400 -0.007 0.000 2.034 690 K HA -0.265 4.055 4.320 -0.001 0.000 0.214 690 K C 1.887 178.478 176.600 -0.014 0.000 1.051 690 K CA 2.124 58.405 56.287 -0.009 0.000 0.931 690 K CB -0.291 32.206 32.500 -0.004 0.000 0.715 690 K HN 0.672 nan 8.250 nan 0.000 0.446 691 E N 0.180 120.374 120.200 -0.009 0.000 2.110 691 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 691 E C 2.331 178.914 176.600 -0.029 0.000 0.988 691 E CA 0.991 57.383 56.400 -0.013 0.000 0.804 691 E CB -0.042 29.657 29.700 -0.001 0.000 0.745 691 E HN 0.450 nan 8.360 nan 0.000 0.458 692 Q N 0.394 120.175 119.800 -0.032 0.000 2.030 692 Q HA -0.154 4.186 4.340 -0.001 0.000 0.204 692 Q C 2.355 178.320 176.000 -0.059 0.000 0.986 692 Q CA 1.832 57.605 55.803 -0.051 0.000 0.843 692 Q CB -0.273 28.437 28.738 -0.046 0.000 0.904 692 Q HN 0.252 nan 8.270 nan 0.000 0.420 693 T N 0.932 115.459 114.554 -0.046 0.000 2.635 693 T HA -0.224 4.126 4.350 -0.001 0.000 0.267 693 T C 1.751 176.421 174.700 -0.050 0.000 1.040 693 T CA 1.727 63.799 62.100 -0.047 0.000 1.156 693 T CB -0.282 68.566 68.868 -0.033 0.000 0.863 693 T HN 0.178 nan 8.240 nan 0.000 0.430 694 Q N 0.296 120.071 119.800 -0.040 0.000 2.364 694 Q HA 0.076 4.416 4.340 -0.001 0.000 0.209 694 Q C 1.782 177.752 176.000 -0.051 0.000 0.977 694 Q CA 1.105 56.885 55.803 -0.038 0.000 0.885 694 Q CB -0.479 28.245 28.738 -0.025 0.000 0.941 694 Q HN 0.617 nan 8.270 nan 0.000 0.464 695 I N -1.286 119.245 120.570 -0.065 0.000 2.364 695 I HA -0.164 4.005 4.170 -0.001 0.000 0.241 695 I C 1.764 177.810 176.117 -0.118 0.000 1.082 695 I CA 0.374 61.623 61.300 -0.086 0.000 1.401 695 I CB -0.166 37.776 38.000 -0.096 0.000 1.126 695 I HN 0.132 nan 8.210 nan 0.000 0.429 696 L N 0.930 122.073 121.223 -0.133 0.000 2.137 696 L HA -0.277 4.063 4.340 -0.001 0.000 0.213 696 L C 2.786 179.559 176.870 -0.161 0.000 1.085 696 L CA 1.378 56.111 54.840 -0.178 0.000 0.760 696 L CB -0.823 41.141 42.059 -0.158 0.000 0.893 696 L HN 0.306 nan 8.230 nan 0.000 0.434 697 A N -0.244 122.509 122.820 -0.111 0.000 1.858 697 A HA -0.177 4.143 4.320 -0.001 0.000 0.216 697 A C 2.188 179.720 177.584 -0.087 0.000 1.190 697 A CA 1.394 53.378 52.037 -0.088 0.000 0.617 697 A CB -0.334 18.629 19.000 -0.061 0.000 0.827 697 A HN 0.346 nan 8.150 nan 0.000 0.443 698 E N 0.011 120.162 120.200 -0.082 0.000 2.204 698 E HA -0.102 4.247 4.350 -0.001 0.000 0.195 698 E C 2.147 178.691 176.600 -0.094 0.000 0.990 698 E CA 1.139 57.497 56.400 -0.070 0.000 0.821 698 E CB -0.548 29.118 29.700 -0.057 0.000 0.750 698 E HN 0.420 nan 8.360 nan 0.000 0.477 699 V N 1.569 121.393 119.914 -0.149 0.000 2.307 699 V HA -0.221 3.899 4.120 -0.001 0.000 0.245 699 V C 2.462 178.442 176.094 -0.190 0.000 1.045 699 V CA 1.771 63.943 62.300 -0.214 0.000 1.024 699 V CB -0.847 30.741 31.823 -0.392 0.000 0.651 699 V HN 0.247 nan 8.190 nan 0.000 0.449 700 A N -0.571 122.141 122.820 -0.179 0.000 1.972 700 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 700 A C 2.104 179.650 177.584 -0.065 0.000 1.169 700 A CA 1.734 53.699 52.037 -0.121 0.000 0.635 700 A CB -0.454 18.483 19.000 -0.105 0.000 0.810 700 A HN 0.632 nan 8.150 nan 0.000 0.446 701 E N -1.647 118.518 120.200 -0.059 0.000 2.482 701 E HA 0.166 4.515 4.350 -0.001 0.000 0.196 701 E C 1.216 177.805 176.600 -0.018 0.000 1.047 701 E CA 0.318 56.698 56.400 -0.033 0.000 0.869 701 E CB -0.170 29.512 29.700 -0.029 0.000 0.836 701 E HN 0.771 nan 8.360 nan 0.000 0.520 702 G N 1.772 110.560 108.800 -0.021 0.000 2.159 702 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.256 702 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.256 702 G C 0.828 175.730 174.900 0.005 0.000 0.977 702 G CA 0.576 45.677 45.100 0.002 0.000 0.652 702 G HN 0.245 nan 8.290 nan 0.000 0.531 703 K N -0.522 119.872 120.400 -0.010 0.000 2.459 703 K HA 0.257 4.576 4.320 -0.001 0.000 0.193 703 K C 0.682 177.277 176.600 -0.008 0.000 1.030 703 K CA 0.331 56.617 56.287 -0.002 0.000 1.026 703 K CB 0.360 32.857 32.500 -0.006 0.000 0.809 703 K HN 0.357 nan 8.250 nan 0.000 0.504 704 I N 1.812 122.366 120.570 -0.026 0.000 2.354 704 I HA 0.045 4.215 4.170 -0.001 0.000 0.286 704 I C 0.379 176.477 176.117 -0.032 0.000 1.007 704 I CA -0.122 61.155 61.300 -0.039 0.000 1.167 704 I CB 1.466 39.421 38.000 -0.074 0.000 1.320 704 I HN -0.011 nan 8.210 nan 0.000 0.458 705 D N 5.878 126.253 120.400 -0.041 0.000 2.194 705 D HA 0.137 4.776 4.640 -0.001 0.000 0.204 705 D C 0.587 176.815 176.300 -0.119 0.000 0.964 705 D CA 1.449 55.413 54.000 -0.060 0.000 0.846 705 D CB 1.073 41.838 40.800 -0.058 0.000 0.962 705 D HN 0.392 nan 8.370 nan 0.000 0.490 706 I N 1.380 121.850 120.570 -0.167 0.000 2.529 706 I HA 0.145 4.315 4.170 -0.001 0.000 0.284 706 I C -1.158 174.813 176.117 -0.243 0.000 1.088 706 I CA -0.776 60.363 61.300 -0.268 0.000 1.062 706 I CB 2.491 40.200 38.000 -0.485 0.000 1.218 706 I HN -0.210 nan 8.210 nan 0.000 0.442 707 L N 7.977 129.098 121.223 -0.169 0.000 2.322 707 L HA 0.668 5.008 4.340 -0.001 0.000 0.279 707 L C -0.920 175.832 176.870 -0.197 0.000 1.036 707 L CA -0.057 54.690 54.840 -0.156 0.000 0.807 707 L CB 1.436 43.470 42.059 -0.042 0.000 1.226 707 L HN 0.401 nan 8.230 nan 0.000 0.433 708 I N 4.035 124.473 120.570 -0.220 0.000 2.499 708 I HA 0.756 4.926 4.170 -0.001 0.000 0.288 708 I C 0.071 176.093 176.117 -0.159 0.000 1.048 708 I CA -0.275 60.910 61.300 -0.192 0.000 1.062 708 I CB 1.918 39.810 38.000 -0.180 0.000 1.238 708 I HN 0.731 nan 8.210 nan 0.000 0.426 709 G N 3.110 111.840 108.800 -0.117 0.000 2.649 709 G HA2 0.611 4.571 3.960 -0.001 0.000 0.290 709 G HA3 0.611 4.571 3.960 -0.001 0.000 0.290 709 G C -0.805 174.045 174.900 -0.083 0.000 1.426 709 G CA -0.433 44.599 45.100 -0.114 0.000 0.794 709 G HN 0.429 nan 8.290 nan 0.000 0.483 710 T N -0.435 114.033 114.554 -0.143 0.000 2.900 710 T HA 0.210 4.560 4.350 -0.001 0.000 0.326 710 T C 1.673 176.301 174.700 -0.120 0.000 1.145 710 T CA 0.319 62.318 62.100 -0.168 0.000 0.963 710 T CB 0.145 68.736 68.868 -0.462 0.000 1.512 710 T HN 0.704 nan 8.240 nan 0.000 0.552 711 H N -0.085 118.977 119.070 -0.012 0.000 2.521 711 H HA 0.063 4.618 4.556 -0.001 0.000 0.286 711 H C 1.823 177.119 175.328 -0.052 0.000 1.034 711 H CA 0.953 56.942 56.048 -0.100 0.000 1.278 711 H CB -0.272 29.197 29.762 -0.488 0.000 1.386 711 H HN 0.374 nan 8.280 nan 0.000 0.567 712 K N 1.650 121.821 120.400 -0.382 0.000 2.360 712 K HA -0.027 4.292 4.320 -0.001 0.000 0.201 712 K C 2.012 178.562 176.600 -0.082 0.000 1.046 712 K CA 0.416 56.591 56.287 -0.187 0.000 0.940 712 K CB -0.468 31.887 32.500 -0.242 0.000 0.748 712 K HN 0.338 nan 8.250 nan 0.000 0.465 713 L N 0.315 121.491 121.223 -0.078 0.000 2.552 713 L HA 0.012 4.352 4.340 -0.001 0.000 0.227 713 L C 1.221 178.095 176.870 0.007 0.000 1.146 713 L CA 0.501 55.318 54.840 -0.038 0.000 0.858 713 L CB 0.051 42.090 42.059 -0.033 0.000 0.969 713 L HN 0.288 nan 8.230 nan 0.000 0.451 714 L N -2.274 118.968 121.223 0.031 0.000 2.445 714 L HA -0.019 4.320 4.340 -0.001 0.000 0.207 714 L C 2.244 179.165 176.870 0.086 0.000 1.053 714 L CA 0.021 54.902 54.840 0.069 0.000 0.841 714 L CB -0.270 41.862 42.059 0.122 0.000 1.074 714 L HN 0.075 nan 8.230 nan 0.000 0.479 715 Q N 0.826 120.691 119.800 0.107 0.000 2.062 715 Q HA -0.110 4.229 4.340 -0.001 0.000 0.209 715 Q C 0.870 176.897 176.000 0.045 0.000 0.996 715 Q CA 1.440 57.301 55.803 0.096 0.000 0.859 715 Q CB -0.165 28.628 28.738 0.092 0.000 0.920 715 Q HN 0.380 nan 8.270 nan 0.000 0.415 716 S N 0.640 116.351 115.700 0.018 0.000 2.614 716 S HA 0.112 4.582 4.470 -0.001 0.000 0.265 716 S C -0.402 174.198 174.600 -0.000 0.000 1.303 716 S CA -0.543 57.655 58.200 -0.004 0.000 1.000 716 S CB 0.633 63.814 63.200 -0.031 0.000 0.935 716 S HN 0.159 nan 8.310 nan 0.000 0.551 717 D N 2.125 122.519 120.400 -0.010 0.000 2.485 717 D HA 0.263 4.903 4.640 -0.001 0.000 0.221 717 D C -0.707 175.576 176.300 -0.028 0.000 1.112 717 D CA -0.061 53.937 54.000 -0.004 0.000 0.911 717 D CB 0.842 41.639 40.800 -0.004 0.000 1.019 717 D HN 0.124 nan 8.370 nan 0.000 0.516 718 V N 2.957 122.854 119.914 -0.028 0.000 2.530 718 V HA 0.114 4.233 4.120 -0.001 0.000 0.282 718 V C 0.622 176.656 176.094 -0.099 0.000 1.048 718 V CA -0.285 61.943 62.300 -0.120 0.000 0.997 718 V CB 1.512 33.235 31.823 -0.166 0.000 0.987 718 V HN 0.234 nan 8.190 nan 0.000 0.477 719 K N 4.306 124.593 120.400 -0.189 0.000 2.235 719 K HA 0.554 4.874 4.320 -0.001 0.000 0.266 719 K C -1.562 174.900 176.600 -0.230 0.000 0.980 719 K CA -0.466 55.763 56.287 -0.097 0.000 0.849 719 K CB 0.874 33.333 32.500 -0.068 0.000 1.098 719 K HN 0.452 nan 8.250 nan 0.000 0.445 720 F N 2.671 122.588 119.950 -0.056 0.000 2.480 720 F HA 0.316 4.843 4.527 -0.001 0.000 0.329 720 F C 1.332 177.097 175.800 -0.058 0.000 1.091 720 F CA -0.741 57.222 58.000 -0.063 0.000 0.972 720 F CB 1.804 40.760 39.000 -0.074 0.000 1.150 720 F HN 0.539 nan 8.300 nan 0.000 0.467 721 K N 0.204 120.671 120.400 0.112 0.000 2.366 721 K HA -0.046 4.274 4.320 -0.001 0.000 0.198 721 K C -0.407 176.213 176.600 0.033 0.000 1.044 721 K CA 1.067 57.383 56.287 0.048 0.000 0.973 721 K CB 0.179 32.690 32.500 0.020 0.000 0.767 721 K HN 0.696 nan 8.250 nan 0.000 0.475 722 D N 0.250 120.678 120.400 0.046 0.000 3.785 722 D HA 0.015 4.655 4.640 -0.001 0.000 0.241 722 D C -1.803 174.447 176.300 -0.082 0.000 1.488 722 D CA -0.343 53.633 54.000 -0.040 0.000 0.912 722 D CB -0.135 40.632 40.800 -0.055 0.000 1.418 722 D HN -0.016 nan 8.370 nan 0.000 0.749 723 L N 1.174 122.330 121.223 -0.112 0.000 2.462 723 L HA 0.659 4.998 4.340 -0.001 0.000 0.272 723 L C 1.182 177.901 176.870 -0.251 0.000 1.166 723 L CA 1.135 55.810 54.840 -0.274 0.000 0.880 723 L CB 1.089 42.792 42.059 -0.594 0.000 1.142 723 L HN 0.358 nan 8.230 nan 0.000 0.473 724 G N 5.389 114.070 108.800 -0.199 0.000 2.801 724 G HA2 0.206 4.165 3.960 -0.001 0.000 0.213 724 G HA3 0.206 4.165 3.960 -0.001 0.000 0.213 724 G C -0.198 174.696 174.900 -0.010 0.000 1.052 724 G CA -0.153 44.878 45.100 -0.116 0.000 0.868 724 G HN 0.479 nan 8.290 nan 0.000 0.589 725 L N 1.297 122.458 121.223 -0.103 0.000 2.436 725 L HA 0.699 5.039 4.340 -0.001 0.000 0.268 725 L C -1.884 174.878 176.870 -0.179 0.000 0.974 725 L CA -0.981 53.786 54.840 -0.120 0.000 0.826 725 L CB 2.588 44.566 42.059 -0.136 0.000 1.291 725 L HN 0.015 nan 8.230 nan 0.000 0.406 726 L N 5.824 126.953 121.223 -0.157 0.000 2.356 726 L HA 0.624 4.964 4.340 -0.001 0.000 0.277 726 L C -1.146 175.649 176.870 -0.126 0.000 0.996 726 L CA -0.020 54.718 54.840 -0.169 0.000 0.822 726 L CB 1.644 43.600 42.059 -0.171 0.000 1.256 726 L HN 0.411 nan 8.230 nan 0.000 0.413 727 I N 5.953 126.449 120.570 -0.123 0.000 2.410 727 I HA 0.416 4.586 4.170 -0.001 0.000 0.286 727 I C -0.944 175.117 176.117 -0.094 0.000 1.009 727 I CA -0.795 60.454 61.300 -0.085 0.000 1.111 727 I CB 1.886 39.854 38.000 -0.053 0.000 1.262 727 I HN 0.220 nan 8.210 nan 0.000 0.443 728 V N 4.734 124.605 119.914 -0.071 0.000 2.417 728 V HA 0.319 4.439 4.120 -0.001 0.000 0.291 728 V C -0.518 175.586 176.094 0.016 0.000 1.024 728 V CA -0.414 61.852 62.300 -0.057 0.000 0.861 728 V CB 1.963 33.726 31.823 -0.099 0.000 0.985 728 V HN 0.611 nan 8.190 nan 0.000 0.436 729 D N 4.277 124.715 120.400 0.064 0.000 2.303 729 D HA 0.308 4.947 4.640 -0.001 0.000 0.236 729 D C 0.174 176.571 176.300 0.161 0.000 1.068 729 D CA -0.140 53.925 54.000 0.109 0.000 0.830 729 D CB 1.005 41.871 40.800 0.110 0.000 1.109 729 D HN 0.551 nan 8.370 nan 0.000 0.496 730 E N 2.157 122.438 120.200 0.136 0.000 2.271 730 E HA -0.251 4.098 4.350 -0.001 0.000 0.223 730 E C 0.795 177.451 176.600 0.093 0.000 1.223 730 E CA 0.585 57.042 56.400 0.094 0.000 0.704 730 E CB -1.243 28.438 29.700 -0.030 0.000 1.194 730 E HN 0.835 nan 8.360 nan 0.000 0.375 731 E N 0.104 120.417 120.200 0.187 0.000 2.097 731 E HA -0.290 4.060 4.350 -0.001 0.000 0.196 731 E C 1.833 178.565 176.600 0.220 0.000 1.000 731 E CA 1.869 58.416 56.400 0.246 0.000 0.804 731 E CB -0.162 29.598 29.700 0.099 0.000 0.740 731 E HN 0.720 nan 8.360 nan 0.000 0.454 732 H N 0.757 119.916 119.070 0.149 0.000 2.472 732 H HA -0.167 4.389 4.556 -0.001 0.000 0.296 732 H C 1.310 176.694 175.328 0.094 0.000 1.120 732 H CA 2.048 58.156 56.048 0.100 0.000 1.250 732 H CB -0.433 29.362 29.762 0.054 0.000 1.366 732 H HN 0.164 nan 8.280 nan 0.000 0.524 733 R N -1.054 119.110 120.500 -0.560 0.000 2.791 733 R HA 0.185 4.525 4.340 -0.001 0.000 0.357 733 R C -0.037 176.096 176.300 -0.278 0.000 1.173 733 R CA -0.245 55.622 56.100 -0.389 0.000 1.060 733 R CB -0.466 29.497 30.300 -0.563 0.000 1.406 733 R HN 0.253 nan 8.270 nan 0.000 0.580 734 F N 1.567 121.452 119.950 -0.108 0.000 2.374 734 F HA 0.279 4.806 4.527 -0.000 0.000 0.291 734 F C 1.246 177.055 175.800 0.015 0.000 1.084 734 F CA 1.321 59.285 58.000 -0.060 0.000 1.413 734 F CB 0.507 39.487 39.000 -0.033 0.000 1.099 734 F HN 0.457 nan 8.300 nan 0.000 0.534 735 G N 0.273 109.188 108.800 0.193 0.000 3.338 735 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.686 735 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.686 735 G C 0.334 175.305 174.900 0.119 0.000 1.053 735 G CA -0.687 44.491 45.100 0.130 0.000 0.852 735 G HN 0.149 nan 8.290 nan 0.000 0.545 736 V N 3.584 123.535 119.914 0.060 0.000 2.409 736 V HA -0.488 3.631 4.120 -0.001 0.000 0.227 736 V C 3.086 179.177 176.094 -0.005 0.000 0.987 736 V CA 3.635 65.950 62.300 0.024 0.000 1.105 736 V CB -1.231 30.592 31.823 -0.001 0.000 0.884 736 V HN 1.228 nan 8.190 nan 0.000 0.502 737 R N -0.730 119.724 120.500 -0.077 0.000 2.190 737 R HA -0.289 4.050 4.340 -0.001 0.000 0.255 737 R C 2.233 178.437 176.300 -0.160 0.000 1.143 737 R CA 2.744 58.748 56.100 -0.161 0.000 0.965 737 R CB -0.593 29.533 30.300 -0.289 0.000 0.889 737 R HN 0.843 nan 8.270 nan 0.000 0.448 738 H N 0.024 119.108 119.070 0.025 0.000 2.363 738 H HA 0.003 4.559 4.556 -0.001 0.000 0.301 738 H C 2.098 177.412 175.328 -0.023 0.000 1.074 738 H CA 1.286 57.350 56.048 0.027 0.000 1.354 738 H CB -0.068 29.762 29.762 0.114 0.000 1.397 738 H HN 0.290 nan 8.280 nan 0.000 0.516 739 K N 0.907 121.380 120.400 0.121 0.000 2.074 739 K HA -0.181 4.138 4.320 -0.001 0.000 0.209 739 K C 2.128 178.728 176.600 0.000 0.000 1.048 739 K CA 1.514 57.824 56.287 0.038 0.000 0.926 739 K CB -0.001 32.536 32.500 0.062 0.000 0.713 739 K HN 0.420 nan 8.250 nan 0.000 0.444 740 E N 0.291 120.493 120.200 0.004 0.000 2.031 740 E HA -0.212 4.138 4.350 -0.001 0.000 0.193 740 E C 2.056 178.647 176.600 -0.015 0.000 0.994 740 E CA 0.956 57.351 56.400 -0.009 0.000 0.800 740 E CB -0.056 29.637 29.700 -0.013 0.000 0.752 740 E HN 0.093 nan 8.360 nan 0.000 0.447 741 R N 1.033 121.529 120.500 -0.006 0.000 2.170 741 R HA -0.151 4.189 4.340 -0.001 0.000 0.242 741 R C 1.842 178.125 176.300 -0.029 0.000 1.145 741 R CA 1.122 57.221 56.100 -0.002 0.000 0.984 741 R CB -0.302 30.022 30.300 0.040 0.000 0.869 741 R HN 0.228 nan 8.270 nan 0.000 0.455 742 I N 0.006 120.543 120.570 -0.055 0.000 2.188 742 I HA -0.167 4.002 4.170 -0.001 0.000 0.237 742 I C 2.506 178.576 176.117 -0.079 0.000 1.073 742 I CA 1.593 62.830 61.300 -0.104 0.000 1.359 742 I CB -0.570 37.328 38.000 -0.171 0.000 1.083 742 I HN 0.311 nan 8.210 nan 0.000 0.412 743 K N 1.126 121.491 120.400 -0.058 0.000 2.366 743 K HA -0.146 4.174 4.320 -0.001 0.000 0.202 743 K C 1.983 178.558 176.600 -0.042 0.000 1.045 743 K CA 1.703 57.963 56.287 -0.045 0.000 0.934 743 K CB -1.299 31.184 32.500 -0.027 0.000 0.746 743 K HN 0.570 nan 8.250 nan 0.000 0.470 744 A N -0.021 122.775 122.820 -0.040 0.000 1.903 744 A HA 0.186 4.505 4.320 -0.001 0.000 0.213 744 A C 2.225 179.783 177.584 -0.043 0.000 1.185 744 A CA 1.455 53.471 52.037 -0.034 0.000 0.628 744 A CB -0.073 18.913 19.000 -0.024 0.000 0.830 744 A HN 0.602 nan 8.150 nan 0.000 0.446 745 M N -0.268 119.299 119.600 -0.056 0.000 2.628 745 M HA 0.085 4.565 4.480 -0.001 0.000 0.232 745 M C 1.708 177.950 176.300 -0.095 0.000 1.128 745 M CA 0.698 55.955 55.300 -0.072 0.000 1.040 745 M CB -0.113 32.442 32.600 -0.075 0.000 1.608 745 M HN 0.481 nan 8.290 nan 0.000 0.507 746 R N 0.613 121.064 120.500 -0.081 0.000 2.156 746 R HA 0.302 4.642 4.340 -0.001 0.000 0.207 746 R C 0.685 176.942 176.300 -0.072 0.000 1.040 746 R CA 0.763 56.813 56.100 -0.083 0.000 1.013 746 R CB -0.051 30.206 30.300 -0.072 0.000 0.931 746 R HN 0.310 nan 8.270 nan 0.000 0.465 747 A N 0.162 122.947 122.820 -0.059 0.000 2.466 747 A HA 0.350 4.669 4.320 -0.001 0.000 0.238 747 A C 0.705 178.256 177.584 -0.055 0.000 1.074 747 A CA 0.666 52.673 52.037 -0.050 0.000 0.774 747 A CB -0.677 18.300 19.000 -0.038 0.000 1.015 747 A HN 0.880 nan 8.150 nan 0.000 0.498 748 N N -1.781 116.892 118.700 -0.045 0.000 2.936 748 N HA -0.030 4.710 4.740 -0.001 0.000 0.236 748 N C 0.340 175.815 175.510 -0.057 0.000 0.930 748 N CA 1.950 54.973 53.050 -0.045 0.000 0.966 748 N CB -2.616 35.840 38.487 -0.051 0.000 1.090 748 N HN 2.222 nan 8.380 nan 0.000 0.592 749 V N -3.761 116.116 119.914 -0.060 0.000 3.049 749 V HA 0.770 4.889 4.120 -0.001 0.000 0.309 749 V C -0.476 175.598 176.094 -0.034 0.000 1.148 749 V CA -1.399 60.863 62.300 -0.063 0.000 0.990 749 V CB 1.994 33.745 31.823 -0.120 0.000 1.039 749 V HN 0.258 nan 8.190 nan 0.000 0.430 750 D N 1.828 122.234 120.400 0.010 0.000 2.399 750 D HA 0.547 5.187 4.640 -0.001 0.000 0.241 750 D C -0.430 175.843 176.300 -0.045 0.000 1.133 750 D CA 0.434 54.441 54.000 0.012 0.000 0.890 750 D CB 0.999 41.841 40.800 0.070 0.000 1.201 750 D HN 0.564 nan 8.370 nan 0.000 0.432 751 I N 1.892 122.431 120.570 -0.052 0.000 2.608 751 I HA 0.383 4.553 4.170 -0.001 0.000 0.295 751 I C -1.305 174.778 176.117 -0.056 0.000 1.049 751 I CA -1.010 60.250 61.300 -0.066 0.000 1.063 751 I CB 2.068 40.029 38.000 -0.066 0.000 1.248 751 I HN 0.123 nan 8.210 nan 0.000 0.424 752 L N 5.469 126.659 121.223 -0.055 0.000 2.439 752 L HA 0.512 4.852 4.340 -0.001 0.000 0.270 752 L C -0.819 176.038 176.870 -0.023 0.000 0.972 752 L CA 0.151 54.970 54.840 -0.035 0.000 0.836 752 L CB 1.924 43.962 42.059 -0.035 0.000 1.255 752 L HN 0.471 nan 8.230 nan 0.000 0.404 753 T N 5.711 120.261 114.554 -0.006 0.000 2.855 753 T HA 0.716 5.066 4.350 -0.001 0.000 0.281 753 T C -0.365 174.354 174.700 0.033 0.000 1.007 753 T CA -0.380 61.727 62.100 0.012 0.000 1.009 753 T CB 1.171 70.050 68.868 0.018 0.000 0.983 753 T HN 0.449 nan 8.240 nan 0.000 0.455 754 L N 1.433 122.688 121.223 0.053 0.000 2.301 754 L HA 0.919 5.259 4.340 -0.001 0.000 0.264 754 L C 0.039 176.962 176.870 0.088 0.000 1.016 754 L CA -0.936 53.943 54.840 0.065 0.000 0.821 754 L CB 2.377 44.483 42.059 0.079 0.000 1.346 754 L HN 0.620 nan 8.230 nan 0.000 0.429 755 T N -1.087 113.514 114.554 0.079 0.000 3.168 755 T HA 0.428 4.778 4.350 -0.001 0.000 0.373 755 T C 0.092 174.827 174.700 0.058 0.000 1.681 755 T CA 0.252 62.408 62.100 0.092 0.000 1.135 755 T CB 1.429 70.361 68.868 0.107 0.000 1.477 755 T HN 0.730 nan 8.240 nan 0.000 0.480 756 A N 2.580 125.436 122.820 0.059 0.000 1.821 756 A HA 0.250 4.569 4.320 -0.001 0.000 0.215 756 A C 1.137 178.725 177.584 0.008 0.000 1.214 756 A CA 1.616 53.672 52.037 0.031 0.000 0.608 756 A CB -1.420 17.602 19.000 0.035 0.000 0.862 756 A HN 1.026 nan 8.150 nan 0.000 0.448 757 T N 3.042 117.594 114.554 -0.004 0.000 2.718 757 T HA 0.233 4.583 4.350 -0.001 0.000 0.265 757 T C -2.010 172.663 174.700 -0.044 0.000 1.014 757 T CA 0.042 62.116 62.100 -0.044 0.000 1.172 757 T CB 0.023 68.839 68.868 -0.087 0.000 1.007 757 T HN 0.460 nan 8.240 nan 0.000 0.500 758 P HA 0.616 nan 4.420 nan 0.000 0.297 758 P C -0.564 176.695 177.300 -0.068 0.000 1.307 758 P CA -0.796 62.276 63.100 -0.047 0.000 0.773 758 P CB 0.911 32.585 31.700 -0.043 0.000 1.265 759 I N -0.300 120.240 120.570 -0.051 0.000 2.689 759 I HA 0.425 4.594 4.170 -0.001 0.000 0.299 759 I C -2.404 173.686 176.117 -0.045 0.000 1.059 759 I CA -2.933 58.335 61.300 -0.054 0.000 1.055 759 I CB 1.497 39.490 38.000 -0.012 0.000 1.243 759 I HN 0.188 nan 8.210 nan 0.000 0.425 760 P HA 0.157 nan 4.420 nan 0.000 0.265 760 P C 0.453 177.787 177.300 0.057 0.000 1.193 760 P CA -0.295 62.796 63.100 -0.014 0.000 0.765 760 P CB 0.547 32.238 31.700 -0.016 0.000 0.823 761 R N 2.037 122.569 120.500 0.054 0.000 2.112 761 R HA -0.154 4.186 4.340 -0.001 0.000 0.242 761 R C 2.115 178.458 176.300 0.072 0.000 1.137 761 R CA 2.545 58.676 56.100 0.051 0.000 0.944 761 R CB -1.938 28.386 30.300 0.039 0.000 0.857 761 R HN 0.652 nan 8.270 nan 0.000 0.435 762 T N 0.247 114.865 114.554 0.106 0.000 2.653 762 T HA -0.214 4.135 4.350 -0.001 0.000 0.268 762 T C 1.883 176.645 174.700 0.103 0.000 1.035 762 T CA 1.599 63.764 62.100 0.109 0.000 1.154 762 T CB -0.593 68.368 68.868 0.155 0.000 0.862 762 T HN 0.223 nan 8.240 nan 0.000 0.441 763 L N 1.772 123.089 121.223 0.155 0.000 2.549 763 L HA 0.169 4.509 4.340 -0.001 0.000 0.229 763 L C 1.836 178.755 176.870 0.081 0.000 1.158 763 L CA 1.299 56.219 54.840 0.133 0.000 0.842 763 L CB -1.172 41.012 42.059 0.208 0.000 0.952 763 L HN 0.232 nan 8.230 nan 0.000 0.452 764 N N -0.541 118.199 118.700 0.065 0.000 2.220 764 N HA -0.174 4.565 4.740 -0.001 0.000 0.182 764 N C 1.736 177.264 175.510 0.031 0.000 1.023 764 N CA 1.604 54.681 53.050 0.044 0.000 0.856 764 N CB -0.170 38.340 38.487 0.038 0.000 0.997 764 N HN 0.372 nan 8.380 nan 0.000 0.429 765 M N 0.259 119.875 119.600 0.026 0.000 2.296 765 M HA 0.166 4.646 4.480 -0.001 0.000 0.265 765 M C 1.636 177.937 176.300 0.001 0.000 1.064 765 M CA 0.961 56.268 55.300 0.012 0.000 1.109 765 M CB -0.316 32.290 32.600 0.010 0.000 1.396 765 M HN 0.205 nan 8.290 nan 0.000 0.430 766 A N 0.125 122.950 122.820 0.009 0.000 1.855 766 A HA -0.112 4.208 4.320 -0.001 0.000 0.215 766 A C 2.035 179.612 177.584 -0.011 0.000 1.191 766 A CA 1.792 53.827 52.037 -0.004 0.000 0.613 766 A CB -0.563 18.441 19.000 0.006 0.000 0.829 766 A HN 0.521 nan 8.150 nan 0.000 0.442 767 M N 0.492 120.096 119.600 0.007 0.000 2.202 767 M HA -0.038 4.442 4.480 -0.001 0.000 0.262 767 M C 1.353 177.638 176.300 -0.025 0.000 1.063 767 M CA 0.792 56.095 55.300 0.005 0.000 1.097 767 M CB -1.738 30.883 32.600 0.035 0.000 1.382 767 M HN 0.367 nan 8.290 nan 0.000 0.413 768 S N 0.781 116.467 115.700 -0.023 0.000 3.448 768 S HA 0.169 4.638 4.470 -0.001 0.000 0.408 768 S C 1.313 175.834 174.600 -0.132 0.000 1.128 768 S CA 1.100 59.274 58.200 -0.043 0.000 1.339 768 S CB -0.631 62.552 63.200 -0.029 0.000 0.915 768 S HN 0.776 nan 8.310 nan 0.000 0.546 769 G N 4.403 113.057 108.800 -0.244 0.000 2.218 769 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.216 769 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.216 769 G C 0.633 175.026 174.900 -0.845 0.000 0.994 769 G CA 0.412 45.151 45.100 -0.601 0.000 0.637 769 G HN 0.640 nan 8.290 nan 0.000 0.505 770 M N -1.299 118.092 119.600 -0.348 0.000 2.638 770 M HA 0.391 4.870 4.480 -0.001 0.000 0.256 770 M C 0.939 177.343 176.300 0.173 0.000 1.282 770 M CA 0.422 55.655 55.300 -0.111 0.000 1.155 770 M CB 0.920 33.494 32.600 -0.042 0.000 1.345 770 M HN 0.090 nan 8.290 nan 0.000 0.523 771 R N 1.006 121.612 120.500 0.177 0.000 2.515 771 R HA 0.205 4.545 4.340 -0.001 0.000 0.278 771 R C -2.007 174.411 176.300 0.197 0.000 1.107 771 R CA -0.287 55.940 56.100 0.211 0.000 0.945 771 R CB 1.293 31.661 30.300 0.113 0.000 1.219 771 R HN -0.081 nan 8.270 nan 0.000 0.434 772 D N 4.158 124.676 120.400 0.198 0.000 2.343 772 D HA 0.241 4.880 4.640 -0.001 0.000 0.255 772 D C -0.684 175.661 176.300 0.076 0.000 1.187 772 D CA 0.161 54.244 54.000 0.138 0.000 0.875 772 D CB 1.296 42.147 40.800 0.085 0.000 1.136 772 D HN 0.290 nan 8.370 nan 0.000 0.469 773 L N 1.244 122.505 121.223 0.064 0.000 2.422 773 L HA 0.444 4.784 4.340 -0.001 0.000 0.264 773 L C -1.156 175.734 176.870 0.034 0.000 0.984 773 L CA -0.263 54.604 54.840 0.044 0.000 0.819 773 L CB 2.394 44.480 42.059 0.045 0.000 1.330 773 L HN 0.087 nan 8.230 nan 0.000 0.410 774 S N 4.797 120.512 115.700 0.025 0.000 2.605 774 S HA 0.692 5.161 4.470 -0.001 0.000 0.308 774 S C -0.732 173.879 174.600 0.018 0.000 1.113 774 S CA -0.365 57.847 58.200 0.020 0.000 1.049 774 S CB 0.880 64.089 63.200 0.015 0.000 1.001 774 S HN 0.488 nan 8.310 nan 0.000 0.480 775 I N 3.722 124.302 120.570 0.017 0.000 2.354 775 I HA 0.438 4.607 4.170 -0.001 0.000 0.292 775 I C -0.450 175.673 176.117 0.011 0.000 0.989 775 I CA -0.466 60.842 61.300 0.013 0.000 1.188 775 I CB 1.264 39.271 38.000 0.012 0.000 1.342 775 I HN 0.492 nan 8.210 nan 0.000 0.457 776 I N 6.388 126.964 120.570 0.009 0.000 2.316 776 I HA 0.300 4.469 4.170 -0.001 0.000 0.286 776 I C 0.865 176.986 176.117 0.007 0.000 1.107 776 I CA -0.342 60.963 61.300 0.009 0.000 1.219 776 I CB 0.609 38.613 38.000 0.008 0.000 1.455 776 I HN 0.682 nan 8.210 nan 0.000 0.498 777 A N 4.283 127.107 122.820 0.007 0.000 2.555 777 A HA 0.165 4.485 4.320 -0.001 0.000 0.233 777 A C 0.511 178.097 177.584 0.004 0.000 1.060 777 A CA 0.429 52.467 52.037 0.002 0.000 0.759 777 A CB -0.035 18.967 19.000 0.003 0.000 0.995 777 A HN 0.574 nan 8.150 nan 0.000 0.506 778 T N 5.108 119.661 114.554 -0.002 0.000 2.771 778 T HA 0.461 4.811 4.350 -0.001 0.000 0.291 778 T C -2.135 172.573 174.700 0.012 0.000 0.954 778 T CA -0.514 61.591 62.100 0.007 0.000 1.045 778 T CB 0.537 69.406 68.868 0.002 0.000 0.917 778 T HN 0.664 nan 8.240 nan 0.000 0.484 779 P HA 0.014 nan 4.420 nan 0.000 0.263 779 P C -2.470 174.849 177.300 0.033 0.000 1.162 779 P CA -0.854 62.264 63.100 0.030 0.000 0.758 779 P CB -0.492 31.232 31.700 0.039 0.000 0.773 780 P HA 0.003 nan 4.420 nan 0.000 0.271 780 P C -0.291 177.041 177.300 0.053 0.000 1.212 780 P CA 0.340 63.448 63.100 0.015 0.000 0.788 780 P CB 0.209 31.914 31.700 0.009 0.000 0.865 781 A N 2.287 125.128 122.820 0.035 0.000 2.309 781 A HA 0.508 4.828 4.320 -0.001 0.000 0.298 781 A C 0.171 177.827 177.584 0.120 0.000 1.165 781 A CA -0.307 51.813 52.037 0.139 0.000 0.821 781 A CB 0.344 19.326 19.000 -0.029 0.000 1.102 781 A HN 0.467 nan 8.150 nan 0.000 0.500 782 R N 0.324 120.920 120.500 0.159 0.000 2.892 782 R HA 0.518 4.857 4.340 -0.001 0.000 0.265 782 R C -0.450 175.897 176.300 0.079 0.000 1.025 782 R CA -0.970 55.178 56.100 0.080 0.000 0.982 782 R CB 1.898 32.226 30.300 0.047 0.000 1.185 782 R HN 0.765 nan 8.270 nan 0.000 0.484 783 R N 2.105 122.629 120.500 0.040 0.000 2.235 783 R HA 0.324 4.663 4.340 -0.001 0.000 0.338 783 R C -0.985 175.326 176.300 0.018 0.000 1.087 783 R CA 0.015 56.134 56.100 0.032 0.000 0.948 783 R CB 0.031 30.343 30.300 0.020 0.000 1.099 783 R HN 0.427 nan 8.270 nan 0.000 0.483 784 L N 2.522 123.751 121.223 0.010 0.000 2.354 784 L HA 0.598 4.937 4.340 -0.001 0.000 0.264 784 L C -0.183 176.691 176.870 0.006 0.000 1.008 784 L CA -1.411 53.433 54.840 0.007 0.000 0.819 784 L CB 2.054 44.106 42.059 -0.011 0.000 1.339 784 L HN 0.601 nan 8.230 nan 0.000 0.420 785 A N 2.125 124.972 122.820 0.045 0.000 2.444 785 A HA 0.517 4.837 4.320 -0.001 0.000 0.287 785 A C -0.467 177.096 177.584 -0.035 0.000 1.195 785 A CA -0.063 51.996 52.037 0.036 0.000 0.858 785 A CB -0.361 18.741 19.000 0.170 0.000 1.117 785 A HN 0.374 nan 8.150 nan 0.000 0.521 786 V N 5.146 125.007 119.914 -0.088 0.000 2.501 786 V HA 0.165 4.285 4.120 -0.001 0.000 0.277 786 V C -0.166 175.810 176.094 -0.198 0.000 1.004 786 V CA -0.743 61.475 62.300 -0.137 0.000 0.862 786 V CB 1.274 33.024 31.823 -0.121 0.000 1.035 786 V HN 0.889 nan 8.190 nan 0.000 0.448 787 K N 2.524 122.767 120.400 -0.261 0.000 2.339 787 K HA 0.506 4.825 4.320 -0.001 0.000 0.286 787 K C 0.028 176.302 176.600 -0.542 0.000 1.050 787 K CA -0.124 55.940 56.287 -0.371 0.000 0.956 787 K CB 1.074 33.454 32.500 -0.199 0.000 0.990 787 K HN 0.578 nan 8.250 nan 0.000 0.475 788 T N 3.349 117.484 114.554 -0.698 0.000 2.859 788 T HA 0.521 4.871 4.350 -0.001 0.000 0.281 788 T C -0.571 173.530 174.700 -0.998 0.000 1.005 788 T CA -0.503 61.226 62.100 -0.618 0.000 1.025 788 T CB 0.357 69.015 68.868 -0.351 0.000 0.977 788 T HN 0.242 nan 8.240 nan 0.000 0.458 789 F N 0.665 120.398 119.950 -0.363 0.000 2.577 789 F HA 0.648 5.175 4.527 -0.001 0.000 0.318 789 F C -0.366 175.381 175.800 -0.088 0.000 1.065 789 F CA -1.167 56.664 58.000 -0.281 0.000 0.929 789 F CB 1.886 40.531 39.000 -0.592 0.000 1.237 789 F HN 0.161 nan 8.300 nan 0.000 0.468 790 V N 3.843 123.863 119.914 0.177 0.000 2.357 790 V HA 0.526 4.646 4.120 -0.001 0.000 0.281 790 V C -0.446 175.769 176.094 0.201 0.000 1.015 790 V CA -0.619 61.769 62.300 0.146 0.000 0.827 790 V CB 1.025 32.887 31.823 0.064 0.000 1.018 790 V HN 0.628 nan 8.190 nan 0.000 0.432 791 R N 2.225 122.872 120.500 0.246 0.000 2.854 791 R HA 0.540 4.880 4.340 -0.001 0.000 0.271 791 R C -0.346 176.050 176.300 0.160 0.000 0.996 791 R CA -0.820 55.411 56.100 0.218 0.000 0.961 791 R CB 2.539 33.008 30.300 0.282 0.000 1.182 791 R HN 0.752 nan 8.270 nan 0.000 0.479 792 E N 1.350 121.628 120.200 0.129 0.000 2.313 792 E HA 0.027 4.377 4.350 -0.001 0.000 0.276 792 E C -0.830 175.852 176.600 0.137 0.000 1.031 792 E CA -0.470 56.008 56.400 0.129 0.000 0.857 792 E CB 0.615 30.389 29.700 0.124 0.000 1.040 792 E HN 0.372 nan 8.360 nan 0.000 0.408 793 Y N 3.655 123.992 120.300 0.061 0.000 2.996 793 Y HA -0.144 4.406 4.550 -0.001 0.000 0.347 793 Y C -0.463 175.474 175.900 0.062 0.000 1.276 793 Y CA 1.215 59.352 58.100 0.062 0.000 1.601 793 Y CB 0.351 38.849 38.460 0.062 0.000 1.193 793 Y HN 0.468 nan 8.280 nan 0.000 0.582 794 D N 3.513 123.550 120.400 -0.605 0.000 2.365 794 D HA 0.119 4.758 4.640 -0.001 0.000 0.235 794 D C 0.534 176.500 176.300 -0.557 0.000 1.368 794 D CA 0.195 53.962 54.000 -0.389 0.000 1.001 794 D CB 0.647 41.341 40.800 -0.176 0.000 1.364 794 D HN 0.475 nan 8.370 nan 0.000 0.577 795 S N 3.206 118.612 115.700 -0.491 0.000 2.380 795 S HA -0.311 4.159 4.470 -0.001 0.000 0.229 795 S C 1.882 176.349 174.600 -0.222 0.000 1.043 795 S CA 0.925 58.940 58.200 -0.308 0.000 1.038 795 S CB -0.309 62.856 63.200 -0.059 0.000 0.872 795 S HN 0.495 nan 8.310 nan 0.000 0.456 796 M N 1.552 121.044 119.600 -0.181 0.000 2.346 796 M HA 0.054 4.534 4.480 -0.001 0.000 0.263 796 M C 1.790 177.962 176.300 -0.212 0.000 1.064 796 M CA 0.740 55.947 55.300 -0.154 0.000 1.083 796 M CB -0.760 31.773 32.600 -0.112 0.000 1.399 796 M HN 0.304 nan 8.290 nan 0.000 0.435 797 V N -1.983 117.755 119.914 -0.293 0.000 2.256 797 V HA -0.183 3.937 4.120 -0.001 0.000 0.240 797 V C 2.241 178.044 176.094 -0.486 0.000 1.036 797 V CA 1.382 63.420 62.300 -0.437 0.000 1.008 797 V CB -0.961 30.567 31.823 -0.493 0.000 0.648 797 V HN 0.222 nan 8.190 nan 0.000 0.453 798 V N 0.517 120.193 119.914 -0.396 0.000 2.250 798 V HA -0.401 3.719 4.120 -0.001 0.000 0.253 798 V C 2.627 178.608 176.094 -0.187 0.000 1.065 798 V CA 2.895 65.051 62.300 -0.239 0.000 1.039 798 V CB -0.830 30.952 31.823 -0.068 0.000 0.647 798 V HN 0.548 nan 8.190 nan 0.000 0.446 799 R N 0.078 120.478 120.500 -0.167 0.000 2.082 799 R HA -0.216 4.124 4.340 -0.001 0.000 0.234 799 R C 2.444 178.652 176.300 -0.154 0.000 1.136 799 R CA 2.481 58.503 56.100 -0.130 0.000 0.935 799 R CB -0.579 29.656 30.300 -0.108 0.000 0.842 799 R HN 0.618 nan 8.270 nan 0.000 0.430 800 E N 0.392 120.478 120.200 -0.190 0.000 2.085 800 E HA -0.159 4.191 4.350 -0.001 0.000 0.194 800 E C 1.913 178.377 176.600 -0.226 0.000 0.994 800 E CA 1.482 57.776 56.400 -0.177 0.000 0.801 800 E CB -0.941 28.660 29.700 -0.165 0.000 0.743 800 E HN 0.685 nan 8.360 nan 0.000 0.453 801 A N 0.736 123.344 122.820 -0.354 0.000 1.859 801 A HA -0.110 4.209 4.320 -0.001 0.000 0.217 801 A C 2.539 179.996 177.584 -0.212 0.000 1.198 801 A CA 1.841 53.642 52.037 -0.393 0.000 0.629 801 A CB -0.568 18.044 19.000 -0.646 0.000 0.830 801 A HN 0.547 nan 8.150 nan 0.000 0.446 802 I N -0.704 119.781 120.570 -0.142 0.000 2.099 802 I HA -0.255 3.915 4.170 -0.001 0.000 0.239 802 I C 2.398 178.464 176.117 -0.085 0.000 1.066 802 I CA 0.994 62.251 61.300 -0.071 0.000 1.324 802 I CB -0.496 37.478 38.000 -0.043 0.000 1.037 802 I HN 0.231 nan 8.210 nan 0.000 0.401 803 L N 0.793 121.960 121.223 -0.093 0.000 2.011 803 L HA -0.317 4.023 4.340 -0.001 0.000 0.225 803 L C 2.663 179.490 176.870 -0.073 0.000 1.084 803 L CA 1.987 56.780 54.840 -0.077 0.000 0.791 803 L CB -1.443 40.569 42.059 -0.077 0.000 0.898 803 L HN 0.325 nan 8.230 nan 0.000 0.440 804 R N -0.890 119.548 120.500 -0.104 0.000 2.139 804 R HA -0.195 4.145 4.340 -0.001 0.000 0.243 804 R C 2.115 178.350 176.300 -0.108 0.000 1.145 804 R CA 1.418 57.450 56.100 -0.114 0.000 0.976 804 R CB 0.070 30.233 30.300 -0.228 0.000 0.866 804 R HN 0.392 nan 8.270 nan 0.000 0.449 805 E N 0.322 120.454 120.200 -0.113 0.000 2.060 805 E HA -0.070 4.280 4.350 -0.001 0.000 0.189 805 E C 2.037 178.608 176.600 -0.048 0.000 0.974 805 E CA 0.828 57.184 56.400 -0.074 0.000 0.808 805 E CB -0.077 29.588 29.700 -0.058 0.000 0.768 805 E HN 0.381 nan 8.360 nan 0.000 0.453 806 I N 1.349 121.887 120.570 -0.052 0.000 2.264 806 I HA -0.279 3.891 4.170 -0.001 0.000 0.248 806 I C 2.204 178.297 176.117 -0.039 0.000 1.111 806 I CA 0.915 62.184 61.300 -0.052 0.000 1.382 806 I CB -0.245 37.720 38.000 -0.059 0.000 1.060 806 I HN 0.053 nan 8.210 nan 0.000 0.418 807 L N 0.845 122.056 121.223 -0.020 0.000 2.551 807 L HA -0.090 4.250 4.340 -0.001 0.000 0.228 807 L C 2.251 179.125 176.870 0.007 0.000 1.153 807 L CA 0.678 55.521 54.840 0.006 0.000 0.851 807 L CB -0.570 41.514 42.059 0.043 0.000 0.959 807 L HN 0.428 nan 8.230 nan 0.000 0.451 808 R N 0.126 120.623 120.500 -0.003 0.000 2.472 808 R HA 0.197 4.537 4.340 -0.001 0.000 0.279 808 R C 0.796 177.076 176.300 -0.034 0.000 0.953 808 R CA 0.624 56.722 56.100 -0.002 0.000 1.088 808 R CB 0.423 30.739 30.300 0.026 0.000 1.197 808 R HN 0.094 nan 8.270 nan 0.000 0.536 809 G N 0.362 109.135 108.800 -0.044 0.000 2.182 809 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.248 809 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.248 809 G C 0.023 174.886 174.900 -0.063 0.000 1.042 809 G CA 0.017 45.081 45.100 -0.060 0.000 0.775 809 G HN 0.724 nan 8.290 nan 0.000 0.501 810 G N -1.612 107.156 108.800 -0.054 0.000 2.788 810 G HA2 0.774 4.733 3.960 -0.001 0.000 0.293 810 G HA3 0.774 4.733 3.960 -0.001 0.000 0.293 810 G C -0.517 174.361 174.900 -0.037 0.000 1.305 810 G CA -0.561 44.512 45.100 -0.045 0.000 1.005 810 G HN 0.410 nan 8.290 nan 0.000 0.496 811 Q N -1.765 118.024 119.800 -0.019 0.000 2.418 811 Q HA 0.738 5.078 4.340 -0.001 0.000 0.276 811 Q C -0.777 175.197 176.000 -0.043 0.000 1.081 811 Q CA -0.713 55.099 55.803 0.016 0.000 0.864 811 Q CB 2.575 31.438 28.738 0.208 0.000 1.384 811 Q HN 0.348 nan 8.270 nan 0.000 0.467 812 V N 0.835 120.752 119.914 0.005 0.000 2.638 812 V HA 0.421 4.541 4.120 -0.001 0.000 0.306 812 V C -1.392 174.728 176.094 0.043 0.000 1.052 812 V CA -0.848 61.454 62.300 0.004 0.000 0.885 812 V CB 1.235 33.114 31.823 0.093 0.000 0.999 812 V HN 0.633 nan 8.190 nan 0.000 0.424 813 Y N 3.110 123.507 120.300 0.162 0.000 2.320 813 Y HA 0.459 5.009 4.550 -0.001 0.000 0.324 813 Y C -0.391 175.628 175.900 0.199 0.000 1.190 813 Y CA -0.214 57.969 58.100 0.138 0.000 1.215 813 Y CB 1.226 39.726 38.460 0.067 0.000 1.221 813 Y HN 0.666 nan 8.280 nan 0.000 0.486 814 Y N 4.151 124.601 120.300 0.250 0.000 2.592 814 Y HA 0.314 4.863 4.550 -0.001 0.000 0.354 814 Y C -1.274 174.741 175.900 0.191 0.000 1.063 814 Y CA -1.122 57.093 58.100 0.192 0.000 1.205 814 Y CB 0.208 38.757 38.460 0.149 0.000 1.106 814 Y HN 0.600 nan 8.280 nan 0.000 0.649 815 L N 5.448 126.715 121.223 0.074 0.000 2.499 815 L HA 0.140 4.480 4.340 -0.001 0.000 0.273 815 L C -0.768 176.202 176.870 0.167 0.000 1.195 815 L CA 0.263 55.178 54.840 0.125 0.000 0.882 815 L CB -0.128 41.949 42.059 0.030 0.000 1.133 815 L HN 0.571 nan 8.230 nan 0.000 0.483 816 Y N 4.384 124.779 120.300 0.159 0.000 2.567 816 Y HA 0.337 4.887 4.550 -0.001 0.000 0.333 816 Y C 1.119 177.121 175.900 0.170 0.000 1.106 816 Y CA -0.824 57.392 58.100 0.193 0.000 1.157 816 Y CB 0.696 39.328 38.460 0.287 0.000 1.277 816 Y HN 0.724 nan 8.280 nan 0.000 0.490 817 N N 1.090 119.754 118.700 -0.061 0.000 2.094 817 N HA -0.232 4.507 4.740 -0.001 0.000 0.191 817 N C -0.113 175.101 175.510 -0.493 0.000 1.023 817 N CA 2.370 55.312 53.050 -0.180 0.000 0.857 817 N CB -0.259 38.219 38.487 -0.014 0.000 1.013 817 N HN 0.903 nan 8.380 nan 0.000 0.426 818 D N -3.312 116.276 120.400 -1.352 0.000 3.103 818 D HA -0.155 4.485 4.640 -0.001 0.000 0.211 818 D C 1.090 177.218 176.300 -0.287 0.000 1.100 818 D CA 0.788 54.252 54.000 -0.893 0.000 0.961 818 D CB -1.388 39.143 40.800 -0.448 0.000 1.093 818 D HN 0.289 nan 8.370 nan 0.000 0.427 819 V N -0.229 119.606 119.914 -0.132 0.000 2.239 819 V HA 0.059 4.179 4.120 -0.001 0.000 0.236 819 V C 1.735 177.888 176.094 0.098 0.000 1.040 819 V CA 3.049 65.361 62.300 0.020 0.000 0.996 819 V CB -0.935 30.927 31.823 0.065 0.000 0.640 819 V HN 0.366 nan 8.190 nan 0.000 0.456 820 E N 1.513 121.831 120.200 0.196 0.000 3.368 820 E HA 0.172 4.521 4.350 -0.001 0.000 0.320 820 E C 0.219 176.965 176.600 0.244 0.000 1.507 820 E CA 0.148 56.663 56.400 0.192 0.000 1.600 820 E CB -0.544 29.259 29.700 0.172 0.000 1.117 820 E HN 0.780 nan 8.360 nan 0.000 0.726 821 N N 0.805 119.608 118.700 0.173 0.000 2.414 821 N HA 0.146 4.885 4.740 -0.001 0.000 0.256 821 N C 0.837 176.419 175.510 0.120 0.000 1.029 821 N CA -0.066 53.070 53.050 0.144 0.000 0.948 821 N CB 1.401 39.937 38.487 0.082 0.000 1.102 821 N HN 0.619 nan 8.380 nan 0.000 0.496 822 I N 1.303 121.988 120.570 0.191 0.000 2.623 822 I HA -0.305 3.865 4.170 -0.001 0.000 0.261 822 I C 1.480 177.552 176.117 -0.075 0.000 1.204 822 I CA 1.369 62.679 61.300 0.016 0.000 1.444 822 I CB 0.325 38.464 38.000 0.231 0.000 1.094 822 I HN 0.392 nan 8.210 nan 0.000 0.451 823 Q N 0.602 120.410 119.800 0.012 0.000 2.212 823 Q HA -0.115 4.224 4.340 -0.001 0.000 0.199 823 Q C 2.024 178.005 176.000 -0.032 0.000 0.950 823 Q CA 1.048 56.856 55.803 0.009 0.000 0.863 823 Q CB 0.076 28.843 28.738 0.047 0.000 0.944 823 Q HN 0.590 nan 8.270 nan 0.000 0.465 824 K N 0.227 120.603 120.400 -0.040 0.000 2.076 824 K HA 0.052 4.371 4.320 -0.001 0.000 0.204 824 K C 2.099 178.637 176.600 -0.102 0.000 1.051 824 K CA 0.800 57.059 56.287 -0.046 0.000 0.949 824 K CB -0.057 32.433 32.500 -0.016 0.000 0.726 824 K HN 0.054 nan 8.250 nan 0.000 0.443 825 A N 1.892 124.598 122.820 -0.191 0.000 1.927 825 A HA -0.238 4.082 4.320 -0.001 0.000 0.220 825 A C 2.378 179.807 177.584 -0.259 0.000 1.185 825 A CA 2.174 54.033 52.037 -0.296 0.000 0.639 825 A CB -0.776 17.806 19.000 -0.698 0.000 0.820 825 A HN 0.363 nan 8.150 nan 0.000 0.451 826 A N -0.466 122.222 122.820 -0.220 0.000 1.877 826 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 826 A C 1.968 179.485 177.584 -0.111 0.000 1.186 826 A CA 1.692 53.634 52.037 -0.157 0.000 0.620 826 A CB -0.533 18.413 19.000 -0.089 0.000 0.822 826 A HN 0.663 nan 8.150 nan 0.000 0.443 827 E N -0.870 119.282 120.200 -0.080 0.000 2.017 827 E HA -0.218 4.132 4.350 -0.001 0.000 0.193 827 E C 2.285 178.846 176.600 -0.065 0.000 0.997 827 E CA 1.088 57.455 56.400 -0.054 0.000 0.804 827 E CB -0.298 29.382 29.700 -0.034 0.000 0.757 827 E HN 0.583 nan 8.360 nan 0.000 0.448 828 R N 0.749 121.208 120.500 -0.068 0.000 2.174 828 R HA -0.228 4.112 4.340 -0.001 0.000 0.253 828 R C 2.197 178.455 176.300 -0.069 0.000 1.165 828 R CA 1.252 57.319 56.100 -0.056 0.000 0.984 828 R CB -0.154 30.114 30.300 -0.053 0.000 0.873 828 R HN 0.128 nan 8.270 nan 0.000 0.456 829 L N -0.464 120.686 121.223 -0.121 0.000 2.249 829 L HA 0.203 4.543 4.340 -0.001 0.000 0.207 829 L C 2.100 178.902 176.870 -0.113 0.000 1.090 829 L CA 1.573 56.320 54.840 -0.155 0.000 0.802 829 L CB -0.113 41.759 42.059 -0.311 0.000 0.947 829 L HN 0.188 nan 8.230 nan 0.000 0.453 830 A N -1.005 121.761 122.820 -0.090 0.000 2.014 830 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 830 A C 2.247 179.797 177.584 -0.057 0.000 1.163 830 A CA 1.413 53.410 52.037 -0.067 0.000 0.652 830 A CB -0.471 18.499 19.000 -0.050 0.000 0.808 830 A HN 0.548 nan 8.150 nan 0.000 0.449 831 E N -0.395 119.775 120.200 -0.050 0.000 2.028 831 E HA -0.188 4.162 4.350 -0.001 0.000 0.191 831 E C 1.915 178.491 176.600 -0.040 0.000 0.988 831 E CA 1.281 57.657 56.400 -0.039 0.000 0.799 831 E CB -0.202 29.480 29.700 -0.030 0.000 0.755 831 E HN 0.416 nan 8.360 nan 0.000 0.447 832 L N 0.636 121.834 121.223 -0.041 0.000 2.012 832 L HA -0.108 4.232 4.340 -0.001 0.000 0.210 832 L C 0.824 177.664 176.870 -0.050 0.000 1.073 832 L CA 1.381 56.198 54.840 -0.038 0.000 0.748 832 L CB 0.073 42.113 42.059 -0.031 0.000 0.891 832 L HN -0.014 nan 8.230 nan 0.000 0.431 833 V N 1.521 121.400 119.914 -0.060 0.000 2.260 833 V HA 0.251 4.371 4.120 -0.001 0.000 0.263 833 V C -1.532 174.523 176.094 -0.065 0.000 1.036 833 V CA -0.771 61.491 62.300 -0.064 0.000 0.874 833 V CB 0.446 32.228 31.823 -0.068 0.000 1.116 833 V HN 0.206 nan 8.190 nan 0.000 0.454 834 P HA -0.117 nan 4.420 nan 0.000 0.222 834 P C 1.017 178.276 177.300 -0.069 0.000 1.147 834 P CA 1.031 64.094 63.100 -0.061 0.000 0.790 834 P CB 0.652 32.320 31.700 -0.053 0.000 0.780 835 E N 0.114 120.273 120.200 -0.068 0.000 2.268 835 E HA 0.034 4.383 4.350 -0.001 0.000 0.195 835 E C 1.256 177.805 176.600 -0.085 0.000 0.995 835 E CA 0.604 56.961 56.400 -0.072 0.000 0.836 835 E CB -0.523 29.138 29.700 -0.065 0.000 0.763 835 E HN 0.312 nan 8.360 nan 0.000 0.491 836 A N 0.602 123.370 122.820 -0.086 0.000 2.261 836 A HA 0.702 5.022 4.320 -0.001 0.000 0.323 836 A C -0.392 177.120 177.584 -0.119 0.000 1.107 836 A CA -0.572 51.406 52.037 -0.099 0.000 0.883 836 A CB 0.894 19.848 19.000 -0.076 0.000 1.251 836 A HN 0.028 nan 8.150 nan 0.000 0.502 837 R N 0.297 120.712 120.500 -0.142 0.000 2.521 837 R HA 0.386 4.725 4.340 -0.001 0.000 0.295 837 R C -1.309 174.979 176.300 -0.021 0.000 1.183 837 R CA -0.138 55.850 56.100 -0.186 0.000 0.957 837 R CB 1.245 31.295 30.300 -0.417 0.000 1.171 837 R HN 0.662 nan 8.270 nan 0.000 0.494 838 I N 2.128 122.751 120.570 0.089 0.000 2.575 838 I HA 0.391 4.561 4.170 -0.001 0.000 0.285 838 I C 0.571 176.927 176.117 0.399 0.000 1.085 838 I CA -0.215 61.209 61.300 0.206 0.000 1.403 838 I CB 1.264 39.301 38.000 0.062 0.000 1.409 838 I HN 0.554 nan 8.210 nan 0.000 0.557 839 A N 6.548 129.543 122.820 0.291 0.000 2.386 839 A HA 0.893 5.212 4.320 -0.001 0.000 0.308 839 A C -0.850 176.741 177.584 0.012 0.000 1.128 839 A CA -0.545 51.508 52.037 0.027 0.000 0.789 839 A CB 1.299 20.245 19.000 -0.089 0.000 1.325 839 A HN 0.555 nan 8.150 nan 0.000 0.437 840 I N -0.379 120.142 120.570 -0.083 0.000 2.797 840 I HA 0.596 4.766 4.170 -0.001 0.000 0.307 840 I C 0.981 176.955 176.117 -0.238 0.000 1.033 840 I CA -0.008 61.196 61.300 -0.159 0.000 1.071 840 I CB 2.425 40.284 38.000 -0.234 0.000 1.255 840 I HN 0.715 nan 8.210 nan 0.000 0.445 841 G N 2.109 110.736 108.800 -0.289 0.000 4.543 841 G HA2 0.179 4.138 3.960 -0.001 0.000 0.286 841 G HA3 0.179 4.138 3.960 -0.001 0.000 0.286 841 G C -0.042 174.758 174.900 -0.167 0.000 1.112 841 G CA -0.308 44.672 45.100 -0.201 0.000 0.870 841 G HN 0.602 nan 8.290 nan 0.000 0.540 842 H N 0.075 119.177 119.070 0.053 0.000 3.130 842 H HA -0.152 4.404 4.556 -0.001 0.000 0.303 842 H C 1.354 176.710 175.328 0.046 0.000 0.975 842 H CA 1.397 57.479 56.048 0.056 0.000 1.279 842 H CB 0.413 30.202 29.762 0.045 0.000 1.124 842 H HN 0.363 nan 8.280 nan 0.000 0.616 843 G N 0.580 109.484 108.800 0.173 0.000 2.594 843 G HA2 0.208 4.167 3.960 -0.001 0.000 0.243 843 G HA3 0.208 4.167 3.960 -0.001 0.000 0.243 843 G C -0.262 174.691 174.900 0.089 0.000 1.229 843 G CA -0.365 44.797 45.100 0.103 0.000 0.843 843 G HN 0.721 nan 8.290 nan 0.000 0.578 844 Q N -0.905 118.926 119.800 0.051 0.000 2.460 844 Q HA -0.162 4.178 4.340 -0.001 0.000 0.311 844 Q C 0.479 176.499 176.000 0.033 0.000 1.396 844 Q CA 0.619 56.439 55.803 0.029 0.000 0.838 844 Q CB -1.523 27.233 28.738 0.031 0.000 1.140 844 Q HN 0.591 nan 8.270 nan 0.000 0.415 845 M N 1.092 120.714 119.600 0.036 0.000 2.248 845 M HA 0.083 4.562 4.480 -0.001 0.000 0.345 845 M C 0.748 177.058 176.300 0.016 0.000 1.243 845 M CA 0.449 55.774 55.300 0.042 0.000 1.090 845 M CB 0.279 32.902 32.600 0.038 0.000 1.683 845 M HN 0.117 nan 8.290 nan 0.000 0.450 846 R N 2.022 122.536 120.500 0.024 0.000 2.560 846 R HA 0.128 4.468 4.340 -0.001 0.000 0.270 846 R C 0.867 177.183 176.300 0.025 0.000 1.074 846 R CA -0.456 55.647 56.100 0.004 0.000 1.140 846 R CB -0.037 30.272 30.300 0.015 0.000 1.073 846 R HN 0.566 nan 8.270 nan 0.000 0.527 847 E N 1.841 122.036 120.200 -0.007 0.000 2.130 847 E HA -0.225 4.124 4.350 -0.001 0.000 0.196 847 E C 1.915 178.636 176.600 0.203 0.000 0.998 847 E CA 1.888 58.312 56.400 0.039 0.000 0.806 847 E CB 0.017 29.625 29.700 -0.154 0.000 0.738 847 E HN 0.569 nan 8.360 nan 0.000 0.459 848 R N 0.604 121.178 120.500 0.123 0.000 2.081 848 R HA -0.147 4.193 4.340 -0.001 0.000 0.235 848 R C 1.826 178.186 176.300 0.100 0.000 1.131 848 R CA 1.709 57.887 56.100 0.129 0.000 0.960 848 R CB -0.622 29.732 30.300 0.090 0.000 0.856 848 R HN 0.205 nan 8.270 nan 0.000 0.436 849 E N 1.238 121.484 120.200 0.077 0.000 2.051 849 E HA -0.166 4.184 4.350 -0.001 0.000 0.192 849 E C 2.292 178.916 176.600 0.041 0.000 0.991 849 E CA 1.218 57.651 56.400 0.056 0.000 0.799 849 E CB -0.277 29.460 29.700 0.060 0.000 0.748 849 E HN 0.299 nan 8.360 nan 0.000 0.449 850 L N 1.320 122.586 121.223 0.071 0.000 1.990 850 L HA -0.286 4.054 4.340 -0.001 0.000 0.213 850 L C 2.801 179.634 176.870 -0.061 0.000 1.072 850 L CA 2.146 57.020 54.840 0.056 0.000 0.755 850 L CB -0.347 41.831 42.059 0.199 0.000 0.889 850 L HN 0.220 nan 8.230 nan 0.000 0.432 851 E N -0.532 119.607 120.200 -0.102 0.000 2.204 851 E HA -0.288 4.061 4.350 -0.001 0.000 0.194 851 E C 2.239 178.749 176.600 -0.150 0.000 0.989 851 E CA 1.009 57.178 56.400 -0.384 0.000 0.824 851 E CB -0.319 29.089 29.700 -0.486 0.000 0.756 851 E HN 0.393 nan 8.360 nan 0.000 0.477 852 R N 0.942 121.419 120.500 -0.038 0.000 2.070 852 R HA -0.113 4.227 4.340 -0.001 0.000 0.233 852 R C 2.236 178.545 176.300 0.015 0.000 1.137 852 R CA 1.754 57.860 56.100 0.011 0.000 0.945 852 R CB -0.275 30.041 30.300 0.026 0.000 0.845 852 R HN 0.186 nan 8.270 nan 0.000 0.430 853 V N 1.316 121.218 119.914 -0.019 0.000 2.407 853 V HA -0.272 3.848 4.120 -0.001 0.000 0.248 853 V C 2.498 178.599 176.094 0.012 0.000 1.055 853 V CA 1.900 64.191 62.300 -0.014 0.000 1.049 853 V CB -0.424 31.330 31.823 -0.115 0.000 0.662 853 V HN 0.401 nan 8.190 nan 0.000 0.455 854 M N -0.267 119.285 119.600 -0.080 0.000 2.117 854 M HA -0.165 4.315 4.480 -0.001 0.000 0.262 854 M C 2.240 178.555 176.300 0.025 0.000 1.065 854 M CA 1.710 56.959 55.300 -0.085 0.000 1.114 854 M CB -0.610 31.864 32.600 -0.210 0.000 1.361 854 M HN 0.430 nan 8.290 nan 0.000 0.408 855 N N 0.490 119.193 118.700 0.004 0.000 2.106 855 N HA -0.149 4.591 4.740 -0.001 0.000 0.188 855 N C 1.164 176.771 175.510 0.161 0.000 1.029 855 N CA 1.495 54.572 53.050 0.045 0.000 0.848 855 N CB -0.321 38.199 38.487 0.054 0.000 1.007 855 N HN 0.269 nan 8.380 nan 0.000 0.423 856 D N 0.457 120.999 120.400 0.236 0.000 2.133 856 D HA -0.144 4.496 4.640 -0.001 0.000 0.195 856 D C 1.629 178.102 176.300 0.288 0.000 0.997 856 D CA 0.962 55.151 54.000 0.315 0.000 0.840 856 D CB -0.413 40.586 40.800 0.332 0.000 0.947 856 D HN 0.216 nan 8.370 nan 0.000 0.452 857 F N -0.531 119.482 119.950 0.105 0.000 2.325 857 F HA -0.042 4.485 4.527 -0.001 0.000 0.299 857 F C 2.197 178.021 175.800 0.039 0.000 1.090 857 F CA 0.751 58.797 58.000 0.076 0.000 1.392 857 F CB -0.448 38.572 39.000 0.033 0.000 1.053 857 F HN 0.112 nan 8.300 nan 0.000 0.521 858 H N -1.691 117.411 119.070 0.053 0.000 2.547 858 H HA 0.007 4.563 4.556 -0.001 0.000 0.272 858 H C 1.082 176.312 175.328 -0.164 0.000 0.989 858 H CA 1.293 57.275 56.048 -0.110 0.000 1.214 858 H CB -0.206 29.409 29.762 -0.245 0.000 1.389 858 H HN 0.087 nan 8.280 nan 0.000 0.577 859 H N 0.639 119.694 119.070 -0.026 0.000 2.486 859 H HA 0.163 4.719 4.556 -0.001 0.000 0.284 859 H C 0.505 175.771 175.328 -0.104 0.000 1.103 859 H CA 0.206 56.198 56.048 -0.093 0.000 1.089 859 H CB 0.466 30.227 29.762 -0.002 0.000 1.603 859 H HN 0.348 nan 8.280 nan 0.000 0.557 860 Q N -0.554 119.224 119.800 -0.037 0.000 2.315 860 Q HA -0.315 4.024 4.340 -0.001 0.000 0.221 860 Q C 1.670 177.578 176.000 -0.154 0.000 0.780 860 Q CA 0.954 56.687 55.803 -0.117 0.000 1.357 860 Q CB -1.328 27.348 28.738 -0.104 0.000 1.766 860 Q HN 0.493 nan 8.270 nan 0.000 0.613 861 R N -0.836 119.622 120.500 -0.070 0.000 2.127 861 R HA -0.023 4.317 4.340 -0.001 0.000 0.238 861 R C 0.082 176.132 176.300 -0.416 0.000 1.134 861 R CA 1.154 57.187 56.100 -0.113 0.000 0.975 861 R CB 0.238 30.626 30.300 0.146 0.000 0.865 861 R HN 0.067 nan 8.270 nan 0.000 0.447 862 F N -0.696 118.995 119.950 -0.432 0.000 2.578 862 F HA 0.212 4.738 4.527 -0.001 0.000 0.311 862 F C -0.056 175.176 175.800 -0.946 0.000 1.094 862 F CA -1.208 56.419 58.000 -0.622 0.000 0.923 862 F CB 1.872 40.481 39.000 -0.651 0.000 1.230 862 F HN -0.030 nan 8.300 nan 0.000 0.450 863 N N 0.179 118.626 118.700 -0.422 0.000 2.241 863 N HA 0.370 5.110 4.740 -0.001 0.000 0.238 863 N C -1.429 174.058 175.510 -0.038 0.000 1.244 863 N CA -0.025 52.849 53.050 -0.294 0.000 0.880 863 N CB 0.976 39.352 38.487 -0.185 0.000 1.179 863 N HN 0.182 nan 8.380 nan 0.000 0.513 864 V N 0.807 120.779 119.914 0.097 0.000 2.817 864 V HA 0.371 4.490 4.120 -0.001 0.000 0.303 864 V C -1.463 174.879 176.094 0.413 0.000 1.151 864 V CA -0.781 61.657 62.300 0.229 0.000 0.929 864 V CB 2.890 34.777 31.823 0.106 0.000 1.030 864 V HN 0.232 nan 8.190 nan 0.000 0.427 865 L N 5.141 126.592 121.223 0.379 0.000 2.372 865 L HA 0.625 4.964 4.340 -0.001 0.000 0.274 865 L C -0.859 176.150 176.870 0.231 0.000 0.988 865 L CA -0.582 54.435 54.840 0.294 0.000 0.833 865 L CB 1.889 44.005 42.059 0.094 0.000 1.236 865 L HN 0.488 nan 8.230 nan 0.000 0.410 866 V N 4.464 124.472 119.914 0.157 0.000 2.455 866 V HA 0.217 4.337 4.120 -0.001 0.000 0.273 866 V C 0.314 176.495 176.094 0.145 0.000 1.045 866 V CA -0.152 62.252 62.300 0.174 0.000 0.976 866 V CB 1.088 32.935 31.823 0.041 0.000 0.993 866 V HN 0.838 nan 8.190 nan 0.000 0.475 867 C N 3.295 122.729 119.300 0.223 0.000 2.505 867 C HA 0.701 5.161 4.460 -0.001 0.000 0.358 867 C C 1.478 176.612 174.990 0.241 0.000 1.226 867 C CA 0.113 59.230 59.018 0.165 0.000 1.900 867 C CB 1.689 29.503 27.740 0.123 0.000 2.306 867 C HN 0.940 nan 8.230 nan 0.000 0.512 868 T N -3.388 111.270 114.554 0.172 0.000 2.969 868 T HA 0.242 4.592 4.350 -0.001 0.000 0.258 868 T C 0.265 175.029 174.700 0.107 0.000 0.962 868 T CA 0.206 62.406 62.100 0.166 0.000 0.903 868 T CB 0.085 69.049 68.868 0.161 0.000 1.177 868 T HN 0.664 nan 8.240 nan 0.000 0.511 869 T N 0.734 115.349 114.554 0.101 0.000 2.864 869 T HA 0.569 4.919 4.350 -0.001 0.000 0.299 869 T C 0.965 175.717 174.700 0.087 0.000 1.166 869 T CA -0.797 61.360 62.100 0.096 0.000 1.007 869 T CB 2.005 70.910 68.868 0.062 0.000 1.219 869 T HN 0.004 nan 8.240 nan 0.000 0.506 870 I N 0.795 121.434 120.570 0.115 0.000 2.226 870 I HA -0.145 4.025 4.170 -0.001 0.000 0.245 870 I C 2.109 178.232 176.117 0.010 0.000 1.100 870 I CA 1.532 62.875 61.300 0.072 0.000 1.374 870 I CB -0.291 37.784 38.000 0.125 0.000 1.057 870 I HN 0.626 nan 8.210 nan 0.000 0.413 871 I N 0.768 121.351 120.570 0.023 0.000 2.335 871 I HA -0.275 3.895 4.170 -0.001 0.000 0.251 871 I C 2.299 178.406 176.117 -0.017 0.000 1.129 871 I CA 1.465 62.767 61.300 0.004 0.000 1.402 871 I CB -0.521 37.488 38.000 0.014 0.000 1.069 871 I HN 0.293 nan 8.210 nan 0.000 0.424 872 E N 0.523 120.717 120.200 -0.011 0.000 2.106 872 E HA -0.133 4.216 4.350 -0.001 0.000 0.192 872 E C 1.892 178.445 176.600 -0.077 0.000 0.984 872 E CA 1.592 57.978 56.400 -0.022 0.000 0.806 872 E CB -0.295 29.408 29.700 0.006 0.000 0.750 872 E HN 0.455 nan 8.360 nan 0.000 0.458 873 T N 0.538 115.015 114.554 -0.128 0.000 3.098 873 T HA -0.033 4.317 4.350 -0.001 0.000 0.266 873 T C 1.731 176.222 174.700 -0.349 0.000 1.145 873 T CA 0.805 62.707 62.100 -0.330 0.000 1.092 873 T CB -0.083 68.592 68.868 -0.322 0.000 0.908 873 T HN 0.340 nan 8.240 nan 0.000 0.526 874 G N 1.096 109.797 108.800 -0.165 0.000 2.650 874 G HA2 0.143 4.103 3.960 -0.001 0.000 0.214 874 G HA3 0.143 4.103 3.960 -0.001 0.000 0.214 874 G C 0.617 175.473 174.900 -0.073 0.000 1.136 874 G CA -0.359 44.677 45.100 -0.106 0.000 0.789 874 G HN 0.468 nan 8.290 nan 0.000 0.536 875 I N 0.820 121.348 120.570 -0.069 0.000 3.110 875 I HA -0.109 4.061 4.170 -0.001 0.000 0.305 875 I C 0.155 176.286 176.117 0.024 0.000 1.232 875 I CA 0.392 61.682 61.300 -0.015 0.000 1.431 875 I CB 0.490 38.482 38.000 -0.013 0.000 1.320 875 I HN -0.017 nan 8.210 nan 0.000 0.583 876 D N 6.994 127.406 120.400 0.020 0.000 2.500 876 D HA 0.386 5.025 4.640 -0.001 0.000 0.219 876 D C -0.641 175.675 176.300 0.027 0.000 1.137 876 D CA -0.136 53.883 54.000 0.032 0.000 0.946 876 D CB 0.114 40.925 40.800 0.018 0.000 1.022 876 D HN 0.249 nan 8.370 nan 0.000 0.518 877 I N 4.382 125.000 120.570 0.081 0.000 2.439 877 I HA 0.202 4.372 4.170 -0.001 0.000 0.285 877 I C -1.736 174.420 176.117 0.066 0.000 1.021 877 I CA -2.139 59.189 61.300 0.048 0.000 1.091 877 I CB 2.504 40.498 38.000 -0.010 0.000 1.242 877 I HN 0.016 nan 8.210 nan 0.000 0.439 878 P HA -0.019 nan 4.420 nan 0.000 0.231 878 P C 0.946 178.254 177.300 0.013 0.000 1.168 878 P CA 0.824 63.944 63.100 0.033 0.000 0.779 878 P CB 0.223 31.937 31.700 0.023 0.000 0.844 879 T N -3.929 110.631 114.554 0.010 0.000 3.092 879 T HA 0.452 4.801 4.350 -0.001 0.000 0.258 879 T C 0.778 175.457 174.700 -0.035 0.000 1.031 879 T CA -0.395 61.696 62.100 -0.016 0.000 0.925 879 T CB -0.038 68.826 68.868 -0.007 0.000 1.036 879 T HN -0.046 nan 8.240 nan 0.000 0.544 880 A N 2.224 125.001 122.820 -0.072 0.000 2.366 880 A HA 0.542 4.862 4.320 -0.001 0.000 0.322 880 A C 0.453 177.986 177.584 -0.085 0.000 1.397 880 A CA -0.803 51.100 52.037 -0.224 0.000 0.984 880 A CB -0.037 18.549 19.000 -0.691 0.000 1.149 880 A HN 0.351 nan 8.150 nan 0.000 0.540 881 N N 1.671 120.365 118.700 -0.010 0.000 2.416 881 N HA 0.122 4.862 4.740 -0.001 0.000 0.267 881 N C -0.988 174.624 175.510 0.169 0.000 1.294 881 N CA 0.133 53.238 53.050 0.091 0.000 0.891 881 N CB 1.337 39.877 38.487 0.089 0.000 1.238 881 N HN 0.469 nan 8.380 nan 0.000 0.508 882 T N 1.198 115.841 114.554 0.147 0.000 3.109 882 T HA 0.373 4.723 4.350 -0.001 0.000 0.311 882 T C -0.839 174.011 174.700 0.250 0.000 1.011 882 T CA -0.386 61.849 62.100 0.224 0.000 1.026 882 T CB 1.977 70.940 68.868 0.159 0.000 1.047 882 T HN 0.065 nan 8.240 nan 0.000 0.448 883 I N 4.816 125.562 120.570 0.294 0.000 2.465 883 I HA 0.633 4.802 4.170 -0.001 0.000 0.291 883 I C -1.379 174.874 176.117 0.226 0.000 1.014 883 I CA -1.265 60.208 61.300 0.289 0.000 1.093 883 I CB 0.948 39.089 38.000 0.235 0.000 1.267 883 I HN 0.640 nan 8.210 nan 0.000 0.431 884 I N 7.898 128.554 120.570 0.144 0.000 2.474 884 I HA 0.430 4.599 4.170 -0.001 0.000 0.294 884 I C -0.791 175.240 176.117 -0.143 0.000 1.005 884 I CA -0.706 60.613 61.300 0.033 0.000 1.113 884 I CB 2.280 40.238 38.000 -0.071 0.000 1.289 884 I HN 0.447 nan 8.210 nan 0.000 0.436 885 I N 5.137 125.646 120.570 -0.102 0.000 2.466 885 I HA 0.190 4.360 4.170 -0.001 0.000 0.279 885 I C 1.050 177.128 176.117 -0.065 0.000 1.033 885 I CA -0.170 61.052 61.300 -0.130 0.000 1.123 885 I CB 1.634 39.525 38.000 -0.183 0.000 1.237 885 I HN 0.664 nan 8.210 nan 0.000 0.460 886 E N 3.391 123.544 120.200 -0.078 0.000 2.130 886 E HA -0.185 4.164 4.350 -0.001 0.000 0.196 886 E C 0.941 177.563 176.600 0.037 0.000 0.998 886 E CA 1.249 57.666 56.400 0.028 0.000 0.806 886 E CB 0.306 30.062 29.700 0.093 0.000 0.738 886 E HN 0.309 nan 8.360 nan 0.000 0.459 887 R N -1.079 119.434 120.500 0.022 0.000 2.653 887 R HA 0.267 4.606 4.340 -0.001 0.000 0.269 887 R C 0.193 176.465 176.300 -0.046 0.000 1.603 887 R CA 0.367 56.401 56.100 -0.110 0.000 1.671 887 R CB 0.255 30.400 30.300 -0.259 0.000 1.300 887 R HN 0.046 nan 8.270 nan 0.000 0.668 888 A N 1.077 123.911 122.820 0.023 0.000 1.978 888 A HA -0.222 4.097 4.320 -0.001 0.000 0.220 888 A C 1.431 179.112 177.584 0.162 0.000 1.170 888 A CA 1.826 53.912 52.037 0.082 0.000 0.636 888 A CB -0.362 18.630 19.000 -0.014 0.000 0.810 888 A HN 0.783 nan 8.150 nan 0.000 0.448 889 D N 1.284 121.688 120.400 0.007 0.000 2.160 889 D HA -0.262 4.378 4.640 -0.001 0.000 0.189 889 D C 1.011 177.364 176.300 0.089 0.000 1.003 889 D CA 1.698 55.701 54.000 0.006 0.000 0.846 889 D CB -1.593 39.164 40.800 -0.071 0.000 0.949 889 D HN 0.844 nan 8.370 nan 0.000 0.446 890 H N -0.955 118.168 119.070 0.088 0.000 3.268 890 H HA 0.477 5.032 4.556 -0.001 0.000 0.213 890 H C -0.765 174.426 175.328 -0.229 0.000 1.858 890 H CA -0.448 55.568 56.048 -0.055 0.000 1.386 890 H CB -1.353 28.325 29.762 -0.140 0.000 1.734 890 H HN 0.026 nan 8.280 nan 0.000 0.612 891 F N -0.017 119.992 119.950 0.098 0.000 2.641 891 F HA 0.439 4.966 4.527 -0.001 0.000 0.308 891 F C 0.394 176.207 175.800 0.023 0.000 1.105 891 F CA -0.857 57.175 58.000 0.053 0.000 0.964 891 F CB 2.222 41.241 39.000 0.033 0.000 1.294 891 F HN 0.374 nan 8.300 nan 0.000 0.442 892 G N 1.854 110.781 108.800 0.212 0.000 2.437 892 G HA2 0.495 4.454 3.960 -0.001 0.000 0.319 892 G HA3 0.495 4.454 3.960 -0.001 0.000 0.319 892 G C 0.746 175.712 174.900 0.110 0.000 1.158 892 G CA -0.746 44.428 45.100 0.123 0.000 0.899 892 G HN 0.766 nan 8.290 nan 0.000 0.502 893 L N 1.225 122.486 121.223 0.064 0.000 2.064 893 L HA -0.307 4.033 4.340 -0.001 0.000 0.216 893 L C 3.343 180.291 176.870 0.129 0.000 1.077 893 L CA 1.789 56.646 54.840 0.029 0.000 0.766 893 L CB -0.748 41.369 42.059 0.096 0.000 0.890 893 L HN 0.663 nan 8.230 nan 0.000 0.435 894 A N 0.142 123.047 122.820 0.141 0.000 1.873 894 A HA -0.387 3.932 4.320 -0.001 0.000 0.219 894 A C 2.197 179.875 177.584 0.157 0.000 1.269 894 A CA 2.739 54.859 52.037 0.138 0.000 0.671 894 A CB -0.878 18.177 19.000 0.092 0.000 0.842 894 A HN 0.549 nan 8.150 nan 0.000 0.460 895 Q N -0.415 119.480 119.800 0.158 0.000 2.049 895 Q HA 0.061 4.400 4.340 -0.001 0.000 0.198 895 Q C 2.149 178.192 176.000 0.071 0.000 0.971 895 Q CA 1.290 57.194 55.803 0.168 0.000 0.833 895 Q CB -0.398 28.545 28.738 0.341 0.000 0.896 895 Q HN 0.688 nan 8.270 nan 0.000 0.434 896 L N 0.257 121.485 121.223 0.009 0.000 1.965 896 L HA -0.330 4.009 4.340 -0.001 0.000 0.226 896 L C 2.480 179.312 176.870 -0.062 0.000 1.083 896 L CA 1.692 56.452 54.840 -0.134 0.000 0.790 896 L CB -1.083 40.861 42.059 -0.192 0.000 0.898 896 L HN 0.426 nan 8.230 nan 0.000 0.439 897 H N -0.474 118.620 119.070 0.040 0.000 2.362 897 H HA -0.289 4.267 4.556 -0.001 0.000 0.294 897 H C 2.310 177.745 175.328 0.178 0.000 1.113 897 H CA 2.322 58.444 56.048 0.123 0.000 1.253 897 H CB -0.325 29.556 29.762 0.199 0.000 1.363 897 H HN 0.355 nan 8.280 nan 0.000 0.494 898 Q N 0.720 120.694 119.800 0.290 0.000 2.096 898 Q HA -0.093 4.247 4.340 -0.001 0.000 0.204 898 Q C 2.522 178.570 176.000 0.081 0.000 0.982 898 Q CA 1.272 57.217 55.803 0.237 0.000 0.850 898 Q CB -0.347 28.478 28.738 0.144 0.000 0.901 898 Q HN 0.470 nan 8.270 nan 0.000 0.422 899 L N -0.800 120.409 121.223 -0.023 0.000 2.023 899 L HA -0.043 4.296 4.340 -0.001 0.000 0.205 899 L C 2.606 179.391 176.870 -0.140 0.000 1.073 899 L CA 1.292 56.056 54.840 -0.125 0.000 0.745 899 L CB -0.478 41.455 42.059 -0.209 0.000 0.900 899 L HN 0.126 nan 8.230 nan 0.000 0.435 900 R N 0.366 120.787 120.500 -0.131 0.000 2.119 900 R HA -0.198 4.142 4.340 -0.001 0.000 0.246 900 R C 2.148 178.287 176.300 -0.269 0.000 1.146 900 R CA 1.758 57.762 56.100 -0.160 0.000 0.962 900 R CB -0.595 29.638 30.300 -0.113 0.000 0.863 900 R HN 0.445 nan 8.270 nan 0.000 0.442 901 G N -0.062 108.454 108.800 -0.473 0.000 2.534 901 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.217 901 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.217 901 G C 0.969 175.663 174.900 -0.343 0.000 1.128 901 G CA 0.074 44.706 45.100 -0.780 0.000 0.784 901 G HN 0.321 nan 8.290 nan 0.000 0.542 902 R N -0.089 120.296 120.500 -0.190 0.000 2.293 902 R HA 0.029 4.369 4.340 -0.001 0.000 0.219 902 R C 0.295 176.619 176.300 0.039 0.000 1.091 902 R CA 0.290 56.328 56.100 -0.105 0.000 1.004 902 R CB -0.503 29.651 30.300 -0.245 0.000 0.865 902 R HN 0.289 nan 8.270 nan 0.000 0.469 903 V N -0.192 119.741 119.914 0.031 0.000 2.975 903 V HA 0.713 4.832 4.120 -0.001 0.000 0.318 903 V C 0.318 176.424 176.094 0.019 0.000 1.077 903 V CA -0.315 62.048 62.300 0.106 0.000 1.000 903 V CB 1.762 33.659 31.823 0.125 0.000 1.066 903 V HN 0.517 nan 8.190 nan 0.000 0.452 904 G N 2.508 111.333 108.800 0.041 0.000 3.088 904 G HA2 0.126 4.085 3.960 -0.001 0.000 0.620 904 G HA3 0.126 4.085 3.960 -0.001 0.000 0.620 904 G C -1.318 173.594 174.900 0.021 0.000 1.375 904 G CA -0.894 44.214 45.100 0.013 0.000 1.016 904 G HN 0.528 nan 8.290 nan 0.000 0.590 905 R N 1.000 121.519 120.500 0.032 0.000 2.621 905 R HA 0.656 4.995 4.340 -0.001 0.000 0.284 905 R C 0.535 176.859 176.300 0.041 0.000 0.998 905 R CA -0.329 55.791 56.100 0.034 0.000 0.895 905 R CB 2.009 32.326 30.300 0.027 0.000 1.195 905 R HN 0.988 nan 8.270 nan 0.000 0.450 906 S N 2.060 117.749 115.700 -0.018 0.000 2.564 906 S HA 0.141 4.611 4.470 -0.001 0.000 0.278 906 S C 0.264 174.796 174.600 -0.112 0.000 1.333 906 S CA -0.149 57.959 58.200 -0.153 0.000 1.048 906 S CB 0.472 63.461 63.200 -0.353 0.000 0.900 906 S HN 0.846 nan 8.310 nan 0.000 0.505 907 H N -0.370 118.662 119.070 -0.064 0.000 3.109 907 H HA -0.126 4.430 4.556 -0.001 0.000 0.245 907 H C -0.327 174.449 175.328 -0.919 0.000 1.187 907 H CA 1.573 57.429 56.048 -0.320 0.000 1.136 907 H CB -2.267 27.352 29.762 -0.238 0.000 1.243 907 H HN 0.853 nan 8.280 nan 0.000 0.328 908 H N -0.538 118.232 119.070 -0.501 0.000 2.996 908 H HA 0.309 4.865 4.556 -0.001 0.000 0.368 908 H C -0.114 175.084 175.328 -0.217 0.000 1.185 908 H CA -0.749 55.039 56.048 -0.433 0.000 1.160 908 H CB 1.993 31.679 29.762 -0.128 0.000 1.820 908 H HN 0.016 nan 8.280 nan 0.000 0.547 909 Q N 1.339 121.198 119.800 0.098 0.000 2.286 909 Q HA 0.558 4.897 4.340 -0.001 0.000 0.257 909 Q C -1.124 174.905 176.000 0.049 0.000 0.941 909 Q CA -0.440 55.426 55.803 0.105 0.000 0.912 909 Q CB 0.881 29.658 28.738 0.066 0.000 1.192 909 Q HN 0.716 nan 8.270 nan 0.000 0.410 910 A N 3.887 126.660 122.820 -0.079 0.000 2.356 910 A HA 0.782 5.102 4.320 -0.001 0.000 0.323 910 A C -1.621 175.905 177.584 -0.097 0.000 1.119 910 A CA -0.516 51.562 52.037 0.069 0.000 0.790 910 A CB 0.813 19.851 19.000 0.063 0.000 1.273 910 A HN 0.703 nan 8.150 nan 0.000 0.452 911 Y N -0.746 119.585 120.300 0.053 0.000 2.602 911 Y HA 0.752 5.301 4.550 -0.001 0.000 0.342 911 Y C 0.262 176.173 175.900 0.017 0.000 1.029 911 Y CA -1.076 57.046 58.100 0.036 0.000 1.080 911 Y CB 2.234 40.762 38.460 0.113 0.000 1.284 911 Y HN 0.954 nan 8.280 nan 0.000 0.485 912 A N 0.875 123.716 122.820 0.035 0.000 2.442 912 A HA 0.604 4.923 4.320 -0.001 0.000 0.284 912 A C -2.368 175.133 177.584 -0.140 0.000 1.058 912 A CA -0.704 51.337 52.037 0.008 0.000 0.738 912 A CB 0.275 19.244 19.000 -0.051 0.000 1.242 912 A HN 0.720 nan 8.150 nan 0.000 0.421 913 W N 3.393 124.793 121.300 0.167 0.000 2.282 913 W HA 0.523 5.183 4.660 -0.001 0.000 0.322 913 W C -0.284 176.276 176.519 0.067 0.000 1.011 913 W CA -0.453 56.993 57.345 0.169 0.000 1.392 913 W CB 1.121 30.653 29.460 0.121 0.000 1.215 913 W HN 0.471 nan 8.180 nan 0.000 0.394 914 L N 5.456 126.778 121.223 0.166 0.000 2.385 914 L HA 0.235 4.575 4.340 -0.001 0.000 0.285 914 L C 0.236 177.190 176.870 0.139 0.000 1.125 914 L CA -0.216 54.672 54.840 0.079 0.000 0.890 914 L CB -0.237 41.823 42.059 0.001 0.000 1.251 914 L HN 0.266 nan 8.230 nan 0.000 0.445 915 L N 3.361 124.668 121.223 0.141 0.000 2.350 915 L HA 0.494 4.834 4.340 -0.001 0.000 0.275 915 L C 0.712 177.642 176.870 0.101 0.000 1.099 915 L CA -0.227 54.711 54.840 0.163 0.000 0.808 915 L CB 1.485 43.675 42.059 0.218 0.000 1.149 915 L HN 0.604 nan 8.230 nan 0.000 0.442 916 T N -0.165 114.450 114.554 0.102 0.000 2.858 916 T HA 0.734 5.084 4.350 -0.001 0.000 0.285 916 T C -2.795 171.912 174.700 0.012 0.000 1.052 916 T CA -1.700 60.420 62.100 0.034 0.000 1.009 916 T CB 2.455 71.341 68.868 0.031 0.000 1.241 916 T HN 0.362 nan 8.240 nan 0.000 0.542 917 P HA 0.379 nan 4.420 nan 0.000 0.317 917 P C -0.799 176.387 177.300 -0.189 0.000 1.301 917 P CA -0.652 62.285 63.100 -0.270 0.000 0.799 917 P CB 0.652 32.130 31.700 -0.369 0.000 1.344 918 H N -0.749 118.356 119.070 0.057 0.000 3.070 918 H HA 0.028 4.584 4.556 -0.001 0.000 0.313 918 H C -1.681 173.672 175.328 0.042 0.000 0.997 918 H CA -1.212 54.867 56.048 0.051 0.000 1.438 918 H CB -0.942 28.847 29.762 0.046 0.000 1.455 918 H HN 0.257 nan 8.280 nan 0.000 0.575 919 P HA -0.262 nan 4.420 nan 0.000 0.221 919 P C 1.347 178.691 177.300 0.073 0.000 1.151 919 P CA 2.486 65.633 63.100 0.079 0.000 0.843 919 P CB 0.188 31.932 31.700 0.074 0.000 0.778 920 K N -1.643 118.819 120.400 0.102 0.000 2.418 920 K HA 0.208 4.528 4.320 -0.001 0.000 0.195 920 K C 1.621 178.270 176.600 0.082 0.000 1.035 920 K CA 1.049 57.387 56.287 0.085 0.000 1.003 920 K CB -0.239 32.313 32.500 0.086 0.000 0.793 920 K HN -0.014 nan 8.250 nan 0.000 0.494 921 A N 0.840 123.711 122.820 0.084 0.000 2.308 921 A HA 0.310 4.630 4.320 -0.001 0.000 0.217 921 A C 0.531 178.123 177.584 0.014 0.000 1.216 921 A CA -0.357 51.710 52.037 0.050 0.000 0.864 921 A CB -0.054 18.961 19.000 0.024 0.000 0.902 921 A HN 0.239 nan 8.150 nan 0.000 0.499 922 M N 1.075 120.685 119.600 0.017 0.000 2.363 922 M HA 0.250 4.730 4.480 -0.001 0.000 0.343 922 M C 0.334 176.647 176.300 0.022 0.000 1.165 922 M CA -0.368 54.939 55.300 0.011 0.000 1.046 922 M CB 1.792 34.397 32.600 0.009 0.000 1.648 922 M HN 0.316 nan 8.290 nan 0.000 0.452 923 T N -0.226 114.342 114.554 0.023 0.000 2.832 923 T HA 0.153 4.503 4.350 -0.001 0.000 0.296 923 T C 0.969 175.682 174.700 0.022 0.000 0.968 923 T CA -0.517 61.597 62.100 0.024 0.000 1.107 923 T CB 0.738 69.621 68.868 0.026 0.000 0.916 923 T HN 0.769 nan 8.240 nan 0.000 0.517 924 T N 3.101 117.667 114.554 0.020 0.000 2.680 924 T HA -0.175 4.174 4.350 -0.001 0.000 0.268 924 T C 1.484 176.194 174.700 0.017 0.000 1.033 924 T CA 1.840 63.950 62.100 0.018 0.000 1.152 924 T CB -0.442 68.435 68.868 0.016 0.000 0.859 924 T HN 0.720 nan 8.240 nan 0.000 0.452 925 D N 0.849 121.259 120.400 0.017 0.000 2.097 925 D HA -0.017 4.623 4.640 -0.001 0.000 0.195 925 D C 2.441 178.752 176.300 0.020 0.000 0.989 925 D CA 1.342 55.352 54.000 0.017 0.000 0.827 925 D CB -0.426 40.384 40.800 0.017 0.000 0.966 925 D HN 0.409 nan 8.370 nan 0.000 0.456 926 A N 0.868 123.703 122.820 0.024 0.000 1.908 926 A HA -0.250 4.070 4.320 -0.001 0.000 0.218 926 A C 2.137 179.733 177.584 0.021 0.000 1.181 926 A CA 1.953 54.007 52.037 0.028 0.000 0.627 926 A CB -0.750 18.270 19.000 0.033 0.000 0.818 926 A HN 0.294 nan 8.150 nan 0.000 0.445 927 Q N -0.159 119.652 119.800 0.019 0.000 2.061 927 Q HA -0.246 4.094 4.340 -0.001 0.000 0.204 927 Q C 1.988 177.995 176.000 0.012 0.000 0.984 927 Q CA 2.127 57.941 55.803 0.017 0.000 0.846 927 Q CB -0.157 28.593 28.738 0.019 0.000 0.902 927 Q HN 0.697 nan 8.270 nan 0.000 0.421 928 K N 0.018 120.425 120.400 0.011 0.000 2.097 928 K HA -0.181 4.139 4.320 -0.001 0.000 0.205 928 K C 2.268 178.869 176.600 0.001 0.000 1.050 928 K CA 1.319 57.609 56.287 0.005 0.000 0.938 928 K CB -0.233 32.271 32.500 0.006 0.000 0.718 928 K HN 0.184 nan 8.250 nan 0.000 0.442 929 R N 1.464 121.967 120.500 0.006 0.000 2.091 929 R HA -0.146 4.194 4.340 -0.001 0.000 0.238 929 R C 2.074 178.365 176.300 -0.015 0.000 1.136 929 R CA 1.225 57.326 56.100 0.003 0.000 0.959 929 R CB -0.254 30.056 30.300 0.016 0.000 0.856 929 R HN 0.116 nan 8.270 nan 0.000 0.437 930 L N 0.556 121.773 121.223 -0.010 0.000 1.973 930 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 930 L C 2.512 179.362 176.870 -0.033 0.000 1.073 930 L CA 1.122 55.948 54.840 -0.023 0.000 0.746 930 L CB -0.605 41.452 42.059 -0.004 0.000 0.891 930 L HN 0.191 nan 8.230 nan 0.000 0.433 931 E N 0.375 120.564 120.200 -0.018 0.000 2.253 931 E HA -0.275 4.074 4.350 -0.001 0.000 0.202 931 E C 2.086 178.663 176.600 -0.037 0.000 1.014 931 E CA 1.379 57.766 56.400 -0.022 0.000 0.823 931 E CB -0.324 29.371 29.700 -0.009 0.000 0.736 931 E HN 0.512 nan 8.360 nan 0.000 0.478 932 A N 1.035 123.834 122.820 -0.036 0.000 1.858 932 A HA -0.153 4.167 4.320 -0.001 0.000 0.216 932 A C 2.329 179.879 177.584 -0.057 0.000 1.190 932 A CA 1.370 53.383 52.037 -0.040 0.000 0.617 932 A CB -0.588 18.398 19.000 -0.024 0.000 0.827 932 A HN 0.220 nan 8.150 nan 0.000 0.443 933 I N -0.193 120.330 120.570 -0.078 0.000 2.315 933 I HA -0.203 3.966 4.170 -0.001 0.000 0.248 933 I C 2.824 178.870 176.117 -0.118 0.000 1.117 933 I CA 0.927 62.164 61.300 -0.106 0.000 1.404 933 I CB -0.568 37.319 38.000 -0.189 0.000 1.071 933 I HN 0.340 nan 8.210 nan 0.000 0.419 934 A N 0.247 122.998 122.820 -0.115 0.000 2.139 934 A HA -0.241 4.078 4.320 -0.001 0.000 0.221 934 A C 2.438 179.935 177.584 -0.145 0.000 1.159 934 A CA 2.105 54.057 52.037 -0.141 0.000 0.662 934 A CB -0.600 18.349 19.000 -0.085 0.000 0.796 934 A HN 0.433 nan 8.150 nan 0.000 0.463 935 S N -0.919 114.716 115.700 -0.108 0.000 2.496 935 S HA 0.163 4.633 4.470 -0.001 0.000 0.224 935 S C 0.638 175.176 174.600 -0.104 0.000 0.996 935 S CA -0.291 57.850 58.200 -0.098 0.000 0.927 935 S CB -0.510 62.640 63.200 -0.083 0.000 0.774 935 S HN 0.446 nan 8.310 nan 0.000 0.524 936 L N 2.776 123.936 121.223 -0.104 0.000 2.360 936 L HA 0.301 4.641 4.340 -0.001 0.000 0.276 936 L C 1.266 178.062 176.870 -0.123 0.000 1.121 936 L CA -0.226 54.565 54.840 -0.082 0.000 0.845 936 L CB 0.720 42.762 42.059 -0.029 0.000 1.143 936 L HN 0.412 nan 8.230 nan 0.000 0.452 937 E N 1.612 121.755 120.200 -0.096 0.000 2.447 937 E HA 0.045 4.394 4.350 -0.001 0.000 0.195 937 E C -0.299 176.243 176.600 -0.098 0.000 1.028 937 E CA -0.019 56.314 56.400 -0.111 0.000 0.876 937 E CB 0.336 29.989 29.700 -0.079 0.000 0.885 937 E HN 0.793 nan 8.360 nan 0.000 0.500 938 D N 0.243 120.601 120.400 -0.069 0.000 2.671 938 D HA 0.080 4.720 4.640 -0.001 0.000 0.273 938 D C -1.079 175.201 176.300 -0.033 0.000 1.264 938 D CA -0.845 53.121 54.000 -0.055 0.000 0.788 938 D CB 1.155 41.937 40.800 -0.031 0.000 1.324 938 D HN -0.022 nan 8.370 nan 0.000 0.424 939 L N 1.636 122.840 121.223 -0.033 0.000 2.375 939 L HA 0.500 4.840 4.340 -0.001 0.000 0.276 939 L C 0.665 177.566 176.870 0.051 0.000 1.162 939 L CA 0.507 55.338 54.840 -0.014 0.000 0.991 939 L CB 0.150 42.148 42.059 -0.102 0.000 1.315 939 L HN 0.677 nan 8.230 nan 0.000 0.431 940 G N 1.446 110.286 108.800 0.068 0.000 2.560 940 G HA2 0.363 4.322 3.960 -0.001 0.000 0.212 940 G HA3 0.363 4.322 3.960 -0.001 0.000 0.212 940 G C 0.866 175.802 174.900 0.061 0.000 2.038 940 G CA 0.456 45.594 45.100 0.063 0.000 0.728 940 G HN 0.590 nan 8.290 nan 0.000 0.784 941 A N 0.439 123.279 122.820 0.033 0.000 1.822 941 A HA 0.274 4.594 4.320 -0.001 0.000 0.214 941 A C 2.715 180.275 177.584 -0.039 0.000 1.245 941 A CA 2.519 54.553 52.037 -0.006 0.000 0.608 941 A CB -1.581 17.421 19.000 0.004 0.000 0.896 941 A HN 1.280 nan 8.150 nan 0.000 0.457 942 G N -0.909 107.868 108.800 -0.038 0.000 2.817 942 G HA2 -0.407 3.553 3.960 -0.001 0.000 0.226 942 G HA3 -0.407 3.553 3.960 -0.001 0.000 0.226 942 G C 1.438 176.104 174.900 -0.390 0.000 1.115 942 G CA 1.910 46.904 45.100 -0.177 0.000 0.750 942 G HN 0.563 nan 8.290 nan 0.000 0.637 943 F N 2.318 122.052 119.950 -0.360 0.000 2.098 943 F HA 0.238 4.765 4.527 -0.000 0.000 0.294 943 F C 2.776 178.474 175.800 -0.170 0.000 1.107 943 F CA 1.200 59.026 58.000 -0.289 0.000 1.234 943 F CB -0.762 38.173 39.000 -0.108 0.000 1.002 943 F HN 0.232 nan 8.300 nan 0.000 0.472 944 A N 0.210 122.811 122.820 -0.364 0.000 1.978 944 A HA -0.143 4.177 4.320 -0.001 0.000 0.220 944 A C 2.069 179.476 177.584 -0.295 0.000 1.170 944 A CA 1.724 53.532 52.037 -0.381 0.000 0.636 944 A CB -1.063 17.836 19.000 -0.168 0.000 0.810 944 A HN 0.436 nan 8.150 nan 0.000 0.448 945 L N -0.834 120.252 121.223 -0.228 0.000 2.072 945 L HA 0.029 4.368 4.340 -0.001 0.000 0.205 945 L C 2.880 179.673 176.870 -0.130 0.000 1.079 945 L CA 1.757 56.511 54.840 -0.143 0.000 0.752 945 L CB -1.005 40.990 42.059 -0.107 0.000 0.906 945 L HN 0.375 nan 8.230 nan 0.000 0.436 946 A N -1.992 120.692 122.820 -0.226 0.000 2.014 946 A HA -0.147 4.172 4.320 -0.001 0.000 0.218 946 A C 2.305 179.769 177.584 -0.200 0.000 1.163 946 A CA 1.910 53.844 52.037 -0.171 0.000 0.652 946 A CB -0.791 18.116 19.000 -0.155 0.000 0.808 946 A HN 0.394 nan 8.150 nan 0.000 0.449 947 T N -1.448 112.900 114.554 -0.344 0.000 2.867 947 T HA -0.104 4.246 4.350 -0.001 0.000 0.268 947 T C 1.832 176.418 174.700 -0.189 0.000 1.057 947 T CA 1.746 63.646 62.100 -0.333 0.000 1.136 947 T CB -0.319 68.240 68.868 -0.515 0.000 0.874 947 T HN 0.763 nan 8.240 nan 0.000 0.466 948 H N 1.682 120.595 119.070 -0.261 0.000 2.284 948 H HA -0.032 4.523 4.556 -0.001 0.000 0.304 948 H C 2.028 177.203 175.328 -0.255 0.000 1.069 948 H CA 1.661 57.566 56.048 -0.238 0.000 1.327 948 H CB -0.406 29.231 29.762 -0.208 0.000 1.387 948 H HN 0.145 nan 8.280 nan 0.000 0.498 949 D N 0.262 120.520 120.400 -0.236 0.000 2.154 949 D HA -0.196 4.444 4.640 -0.001 0.000 0.190 949 D C 2.398 178.517 176.300 -0.300 0.000 1.003 949 D CA 1.382 55.212 54.000 -0.284 0.000 0.849 949 D CB -0.524 40.198 40.800 -0.131 0.000 0.942 949 D HN 0.244 nan 8.370 nan 0.000 0.446 950 L N 1.445 122.540 121.223 -0.213 0.000 1.963 950 L HA -0.242 4.098 4.340 -0.001 0.000 0.220 950 L C 2.334 179.061 176.870 -0.239 0.000 1.076 950 L CA 1.805 56.536 54.840 -0.182 0.000 0.772 950 L CB -0.755 41.226 42.059 -0.130 0.000 0.892 950 L HN 0.135 nan 8.230 nan 0.000 0.435 951 E N -0.765 119.269 120.200 -0.277 0.000 2.233 951 E HA -0.263 4.086 4.350 -0.001 0.000 0.199 951 E C 2.254 178.613 176.600 -0.401 0.000 1.004 951 E CA 1.413 57.638 56.400 -0.292 0.000 0.819 951 E CB -0.340 29.191 29.700 -0.281 0.000 0.738 951 E HN 0.553 nan 8.360 nan 0.000 0.478 952 I N 0.681 120.918 120.570 -0.555 0.000 2.202 952 I HA -0.238 3.931 4.170 -0.001 0.000 0.242 952 I C 2.536 178.447 176.117 -0.343 0.000 1.091 952 I CA 1.017 61.939 61.300 -0.630 0.000 1.368 952 I CB -0.179 37.384 38.000 -0.728 0.000 1.058 952 I HN -0.020 nan 8.210 nan 0.000 0.410 953 R N 0.691 121.033 120.500 -0.264 0.000 2.117 953 R HA -0.155 4.185 4.340 -0.001 0.000 0.243 953 R C 2.385 178.573 176.300 -0.186 0.000 1.143 953 R CA 1.501 57.488 56.100 -0.188 0.000 0.968 953 R CB -0.783 29.425 30.300 -0.153 0.000 0.863 953 R HN 0.490 nan 8.270 nan 0.000 0.444 954 G N 0.615 109.301 108.800 -0.191 0.000 2.446 954 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.217 954 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.217 954 G C 1.535 176.358 174.900 -0.129 0.000 1.168 954 G CA 0.904 45.909 45.100 -0.159 0.000 0.771 954 G HN 0.435 nan 8.290 nan 0.000 0.551 955 A N 1.014 123.752 122.820 -0.136 0.000 1.865 955 A HA 0.085 4.405 4.320 -0.001 0.000 0.217 955 A C 2.795 180.339 177.584 -0.067 0.000 1.191 955 A CA 2.379 54.379 52.037 -0.062 0.000 0.623 955 A CB -1.370 17.626 19.000 -0.007 0.000 0.826 955 A HN 0.680 nan 8.150 nan 0.000 0.444 956 G N -0.601 108.135 108.800 -0.107 0.000 2.513 956 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.219 956 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.219 956 G C 1.438 176.294 174.900 -0.073 0.000 1.160 956 G CA 1.233 46.276 45.100 -0.096 0.000 0.767 956 G HN 0.684 nan 8.290 nan 0.000 0.571 957 E N -0.429 119.706 120.200 -0.108 0.000 2.077 957 E HA -0.113 4.237 4.350 -0.001 0.000 0.193 957 E C 2.409 178.992 176.600 -0.027 0.000 0.989 957 E CA 0.903 57.235 56.400 -0.113 0.000 0.800 957 E CB -0.197 29.336 29.700 -0.279 0.000 0.746 957 E HN 0.360 nan 8.360 nan 0.000 0.452 958 L N 0.906 122.116 121.223 -0.022 0.000 2.017 958 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 958 L C 1.962 178.851 176.870 0.033 0.000 1.073 958 L CA 1.695 56.545 54.840 0.017 0.000 0.745 958 L CB -0.353 41.717 42.059 0.018 0.000 0.894 958 L HN 0.096 nan 8.230 nan 0.000 0.432 959 L N -0.960 120.279 121.223 0.027 0.000 2.049 959 L HA 0.300 4.640 4.340 -0.001 0.000 0.203 959 L C 1.000 177.896 176.870 0.042 0.000 1.074 959 L CA 0.543 55.409 54.840 0.044 0.000 0.749 959 L CB -0.760 41.332 42.059 0.054 0.000 0.907 959 L HN 0.473 nan 8.230 nan 0.000 0.439 960 G N -2.611 106.205 108.800 0.027 0.000 2.318 960 G HA2 0.248 4.207 3.960 -0.001 0.000 0.302 960 G HA3 0.248 4.207 3.960 -0.001 0.000 0.302 960 G C 0.050 174.964 174.900 0.023 0.000 1.633 960 G CA -0.100 45.020 45.100 0.033 0.000 0.965 960 G HN -0.019 nan 8.290 nan 0.000 0.698 961 E N -0.102 120.115 120.200 0.028 0.000 2.219 961 E HA -0.168 4.182 4.350 -0.001 0.000 0.198 961 E C 1.891 178.508 176.600 0.028 0.000 0.998 961 E CA 2.218 58.632 56.400 0.023 0.000 0.818 961 E CB -0.331 29.387 29.700 0.030 0.000 0.741 961 E HN 0.893 nan 8.360 nan 0.000 0.477 962 E N -0.576 119.646 120.200 0.036 0.000 2.107 962 E HA -0.219 4.131 4.350 -0.001 0.000 0.191 962 E C 2.227 178.864 176.600 0.062 0.000 0.982 962 E CA 1.152 57.580 56.400 0.046 0.000 0.809 962 E CB 0.050 29.778 29.700 0.046 0.000 0.756 962 E HN 0.496 nan 8.360 nan 0.000 0.459 963 Q N 0.146 119.985 119.800 0.064 0.000 2.212 963 Q HA 0.011 4.351 4.340 -0.001 0.000 0.199 963 Q C 2.337 178.331 176.000 -0.009 0.000 0.950 963 Q CA 1.007 56.865 55.803 0.091 0.000 0.863 963 Q CB 0.048 28.847 28.738 0.102 0.000 0.944 963 Q HN 0.181 nan 8.270 nan 0.000 0.465 964 S N 0.968 116.650 115.700 -0.031 0.000 2.419 964 S HA -0.112 4.357 4.470 -0.001 0.000 0.235 964 S C 1.876 176.470 174.600 -0.010 0.000 1.019 964 S CA 1.070 59.236 58.200 -0.056 0.000 0.982 964 S CB -0.406 62.771 63.200 -0.038 0.000 0.789 964 S HN 0.601 nan 8.310 nan 0.000 0.490 965 G N 2.103 110.921 108.800 0.031 0.000 2.434 965 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.214 965 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.214 965 G C 1.660 176.619 174.900 0.098 0.000 1.202 965 G CA 1.128 46.266 45.100 0.063 0.000 0.788 965 G HN 0.663 nan 8.290 nan 0.000 0.539 966 S N 0.063 115.838 115.700 0.126 0.000 2.419 966 S HA -0.034 4.436 4.470 -0.001 0.000 0.233 966 S C 2.358 177.085 174.600 0.211 0.000 1.016 966 S CA 1.432 59.738 58.200 0.177 0.000 0.974 966 S CB -0.307 63.021 63.200 0.213 0.000 0.786 966 S HN 0.300 nan 8.310 nan 0.000 0.492 967 M N 1.242 120.902 119.600 0.100 0.000 2.132 967 M HA -0.073 4.407 4.480 -0.001 0.000 0.263 967 M C 2.531 178.867 176.300 0.060 0.000 1.065 967 M CA 1.956 57.246 55.300 -0.016 0.000 1.122 967 M CB -0.249 32.216 32.600 -0.225 0.000 1.365 967 M HN 0.527 nan 8.290 nan 0.000 0.411 968 E N -1.059 119.191 120.200 0.084 0.000 2.358 968 E HA -0.104 4.246 4.350 -0.001 0.000 0.195 968 E C 1.131 177.908 176.600 0.295 0.000 1.010 968 E CA 1.237 57.729 56.400 0.154 0.000 0.856 968 E CB 0.257 30.029 29.700 0.120 0.000 0.795 968 E HN 0.395 nan 8.360 nan 0.000 0.504 969 T N 0.538 115.253 114.554 0.268 0.000 3.051 969 T HA 0.075 4.425 4.350 -0.001 0.000 0.255 969 T C 1.721 176.713 174.700 0.486 0.000 1.085 969 T CA 0.770 63.077 62.100 0.344 0.000 1.109 969 T CB 0.098 69.116 68.868 0.250 0.000 0.921 969 T HN 0.400 nan 8.240 nan 0.000 0.488 970 I N -2.279 118.542 120.570 0.417 0.000 4.403 970 I HA 0.599 4.769 4.170 -0.001 0.000 0.331 970 I C 0.639 177.037 176.117 0.469 0.000 1.327 970 I CA -0.380 61.225 61.300 0.508 0.000 1.175 970 I CB 0.555 38.703 38.000 0.246 0.000 1.165 970 I HN 0.151 nan 8.210 nan 0.000 0.413 971 G N 2.082 111.052 108.800 0.283 0.000 3.434 971 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.686 971 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.686 971 G C -0.224 174.740 174.900 0.107 0.000 1.099 971 G CA -0.135 44.998 45.100 0.055 0.000 0.931 971 G HN 0.301 nan 8.290 nan 0.000 0.520 972 F N 2.580 122.459 119.950 -0.119 0.000 2.176 972 F HA -0.186 4.341 4.527 -0.000 0.000 0.301 972 F C 2.568 178.406 175.800 0.064 0.000 1.071 972 F CA 2.981 60.949 58.000 -0.053 0.000 1.289 972 F CB 0.005 38.915 39.000 -0.151 0.000 1.028 972 F HN 0.653 nan 8.300 nan 0.000 0.494 973 S N 0.045 115.850 115.700 0.175 0.000 2.353 973 S HA -0.227 4.242 4.470 -0.001 0.000 0.222 973 S C 1.976 176.590 174.600 0.024 0.000 1.035 973 S CA 1.596 59.860 58.200 0.108 0.000 1.025 973 S CB -0.675 62.604 63.200 0.132 0.000 0.902 973 S HN 0.437 nan 8.310 nan 0.000 0.440 974 L N 0.462 121.731 121.223 0.077 0.000 2.109 974 L HA 0.074 4.413 4.340 -0.001 0.000 0.207 974 L C 1.992 178.861 176.870 -0.002 0.000 1.086 974 L CA 1.867 56.744 54.840 0.062 0.000 0.760 974 L CB -1.010 41.136 42.059 0.146 0.000 0.910 974 L HN 0.541 nan 8.230 nan 0.000 0.437 975 Y N -0.770 119.452 120.300 -0.130 0.000 2.114 975 Y HA -0.322 4.227 4.550 -0.000 0.000 0.282 975 Y C 2.342 178.083 175.900 -0.265 0.000 1.165 975 Y CA 2.148 60.135 58.100 -0.187 0.000 1.148 975 Y CB -0.061 38.270 38.460 -0.215 0.000 0.972 975 Y HN 0.151 nan 8.280 nan 0.000 0.504 976 M N 0.194 119.705 119.600 -0.148 0.000 2.296 976 M HA -0.174 4.305 4.480 -0.001 0.000 0.265 976 M C 2.046 178.254 176.300 -0.154 0.000 1.064 976 M CA 1.542 56.713 55.300 -0.215 0.000 1.109 976 M CB -0.993 31.379 32.600 -0.380 0.000 1.396 976 M HN 0.435 nan 8.290 nan 0.000 0.430 977 E N 0.393 120.518 120.200 -0.125 0.000 2.047 977 E HA -0.176 4.174 4.350 -0.001 0.000 0.191 977 E C 1.867 178.397 176.600 -0.118 0.000 0.987 977 E CA 1.152 57.500 56.400 -0.087 0.000 0.799 977 E CB 0.085 29.758 29.700 -0.045 0.000 0.752 977 E HN 0.239 nan 8.360 nan 0.000 0.449 978 L N 0.344 121.463 121.223 -0.174 0.000 2.056 978 L HA -0.114 4.225 4.340 -0.001 0.000 0.207 978 L C 2.306 179.042 176.870 -0.223 0.000 1.078 978 L CA 1.160 55.877 54.840 -0.205 0.000 0.749 978 L CB -0.925 40.968 42.059 -0.277 0.000 0.901 978 L HN 0.278 nan 8.230 nan 0.000 0.433 979 L N -0.256 120.792 121.223 -0.292 0.000 1.955 979 L HA -0.224 4.116 4.340 -0.001 0.000 0.213 979 L C 2.432 179.225 176.870 -0.128 0.000 1.072 979 L CA 1.774 56.477 54.840 -0.228 0.000 0.755 979 L CB -0.728 41.211 42.059 -0.199 0.000 0.888 979 L HN 0.313 nan 8.230 nan 0.000 0.432 980 E N -0.442 119.697 120.200 -0.102 0.000 2.208 980 E HA -0.302 4.048 4.350 -0.001 0.000 0.202 980 E C 1.946 178.505 176.600 -0.068 0.000 1.014 980 E CA 1.394 57.754 56.400 -0.068 0.000 0.819 980 E CB -0.396 29.271 29.700 -0.055 0.000 0.735 980 E HN 0.620 nan 8.360 nan 0.000 0.469 981 N N 0.728 119.379 118.700 -0.082 0.000 2.081 981 N HA -0.124 4.616 4.740 -0.001 0.000 0.191 981 N C 1.951 177.416 175.510 -0.075 0.000 1.053 981 N CA 1.425 54.431 53.050 -0.073 0.000 0.846 981 N CB -0.194 38.247 38.487 -0.077 0.000 1.032 981 N HN 0.088 nan 8.380 nan 0.000 0.431 982 A N 1.175 123.938 122.820 -0.095 0.000 1.985 982 A HA -0.164 4.155 4.320 -0.001 0.000 0.223 982 A C 2.565 180.107 177.584 -0.070 0.000 1.189 982 A CA 2.051 54.035 52.037 -0.088 0.000 0.658 982 A CB -0.989 17.945 19.000 -0.111 0.000 0.820 982 A HN 0.260 nan 8.150 nan 0.000 0.464 983 V N -0.019 119.854 119.914 -0.069 0.000 2.231 983 V HA -0.217 3.903 4.120 -0.001 0.000 0.240 983 V C 2.279 178.341 176.094 -0.054 0.000 1.039 983 V CA 2.111 64.375 62.300 -0.059 0.000 0.998 983 V CB -0.823 30.966 31.823 -0.056 0.000 0.639 983 V HN 0.522 nan 8.190 nan 0.000 0.451 984 D N 0.043 120.412 120.400 -0.051 0.000 2.170 984 D HA -0.239 4.400 4.640 -0.001 0.000 0.193 984 D C 2.123 178.398 176.300 -0.043 0.000 1.004 984 D CA 1.916 55.889 54.000 -0.045 0.000 0.860 984 D CB -0.161 40.614 40.800 -0.041 0.000 0.931 984 D HN 0.442 nan 8.370 nan 0.000 0.448 985 A N 0.720 123.513 122.820 -0.045 0.000 1.845 985 A HA -0.126 4.194 4.320 -0.001 0.000 0.215 985 A C 2.481 180.042 177.584 -0.039 0.000 1.195 985 A CA 1.000 53.013 52.037 -0.041 0.000 0.616 985 A CB -0.926 18.047 19.000 -0.045 0.000 0.832 985 A HN 0.261 nan 8.150 nan 0.000 0.443 986 L N -0.904 120.294 121.223 -0.042 0.000 2.353 986 L HA -0.179 4.161 4.340 -0.001 0.000 0.220 986 L C 2.514 179.362 176.870 -0.037 0.000 1.133 986 L CA 1.271 56.089 54.840 -0.037 0.000 0.798 986 L CB -0.392 41.644 42.059 -0.038 0.000 0.922 986 L HN 0.420 nan 8.230 nan 0.000 0.445 987 K N 0.053 120.428 120.400 -0.042 0.000 2.044 987 K HA -0.005 4.315 4.320 -0.001 0.000 0.204 987 K C 2.236 178.815 176.600 -0.035 0.000 1.045 987 K CA 1.059 57.319 56.287 -0.044 0.000 0.951 987 K CB -0.102 32.366 32.500 -0.052 0.000 0.738 987 K HN 0.216 nan 8.250 nan 0.000 0.443 988 A N 0.174 122.975 122.820 -0.033 0.000 2.070 988 A HA -0.010 4.310 4.320 -0.001 0.000 0.220 988 A C 1.523 179.093 177.584 -0.024 0.000 1.159 988 A CA 1.803 53.824 52.037 -0.027 0.000 0.656 988 A CB -0.362 18.622 19.000 -0.026 0.000 0.800 988 A HN 0.528 nan 8.150 nan 0.000 0.453 989 G N -1.286 107.500 108.800 -0.024 0.000 2.229 989 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.189 989 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.189 989 G C 0.579 175.467 174.900 -0.021 0.000 1.000 989 G CA 0.322 45.410 45.100 -0.021 0.000 0.663 989 G HN 0.927 nan 8.290 nan 0.000 0.493 990 R N 0.173 120.659 120.500 -0.023 0.000 2.716 990 R HA 0.791 5.131 4.340 -0.001 0.000 0.202 990 R C -0.235 176.050 176.300 -0.025 0.000 1.114 990 R CA -0.192 55.894 56.100 -0.023 0.000 1.084 990 R CB 0.218 30.504 30.300 -0.023 0.000 1.282 990 R HN 0.111 nan 8.270 nan 0.000 0.506 991 E N 0.129 120.312 120.200 -0.027 0.000 2.277 991 E HA 0.286 4.636 4.350 -0.001 0.000 0.266 991 E C -2.004 174.574 176.600 -0.037 0.000 0.901 991 E CA -2.797 53.585 56.400 -0.030 0.000 0.782 991 E CB 1.737 31.421 29.700 -0.027 0.000 1.228 991 E HN 0.407 nan 8.360 nan 0.000 0.424 992 P HA -0.117 nan 4.420 nan 0.000 0.222 992 P C 0.654 177.921 177.300 -0.055 0.000 1.147 992 P CA 1.138 64.205 63.100 -0.054 0.000 0.790 992 P CB 0.083 31.747 31.700 -0.060 0.000 0.780 993 S N 0.104 115.776 115.700 -0.047 0.000 2.795 993 S HA 0.148 4.617 4.470 -0.001 0.000 0.236 993 S C 1.555 176.129 174.600 -0.042 0.000 0.973 993 S CA 0.704 58.877 58.200 -0.045 0.000 0.982 993 S CB -1.634 61.544 63.200 -0.037 0.000 0.786 993 S HN 0.233 nan 8.310 nan 0.000 0.538 994 L N 0.863 122.060 121.223 -0.044 0.000 2.858 994 L HA 0.325 4.665 4.340 -0.001 0.000 0.243 994 L C 1.327 178.172 176.870 -0.043 0.000 1.416 994 L CA 0.302 55.118 54.840 -0.040 0.000 1.182 994 L CB -1.498 40.537 42.059 -0.041 0.000 1.564 994 L HN 0.428 nan 8.230 nan 0.000 0.436 995 E N 0.496 120.671 120.200 -0.043 0.000 2.445 995 E HA -0.078 4.272 4.350 -0.001 0.000 0.204 995 E C 1.786 178.368 176.600 -0.030 0.000 1.194 995 E CA 0.849 57.223 56.400 -0.044 0.000 0.950 995 E CB -0.846 28.827 29.700 -0.045 0.000 0.976 995 E HN 0.926 nan 8.360 nan 0.000 0.519 996 D N 0.276 120.660 120.400 -0.027 0.000 2.354 996 D HA -0.122 4.517 4.640 -0.001 0.000 0.216 996 D C 2.208 178.500 176.300 -0.013 0.000 0.970 996 D CA 1.311 55.300 54.000 -0.018 0.000 0.905 996 D CB -0.853 39.935 40.800 -0.019 0.000 0.903 996 D HN 0.287 nan 8.370 nan 0.000 0.508 997 L N -0.178 121.034 121.223 -0.018 0.000 2.211 997 L HA 0.256 4.596 4.340 -0.001 0.000 0.216 997 L C 2.394 179.271 176.870 0.012 0.000 1.092 997 L CA 2.325 57.159 54.840 -0.009 0.000 0.767 997 L CB -2.299 39.747 42.059 -0.021 0.000 0.894 997 L HN 0.736 nan 8.230 nan 0.000 0.437 998 T N -0.964 113.596 114.554 0.011 0.000 2.930 998 T HA 0.591 4.941 4.350 -0.001 0.000 0.306 998 T C 0.746 175.466 174.700 0.032 0.000 1.045 998 T CA 0.235 62.353 62.100 0.029 0.000 1.134 998 T CB -0.428 68.452 68.868 0.021 0.000 0.961 998 T HN 1.506 nan 8.240 nan 0.000 0.545 999 S N 1.027 116.760 115.700 0.055 0.000 2.614 999 S HA 0.552 5.022 4.470 -0.001 0.000 0.265 999 S C 1.692 176.311 174.600 0.032 0.000 1.303 999 S CA 0.357 58.584 58.200 0.046 0.000 1.000 999 S CB -0.227 63.026 63.200 0.088 0.000 0.935 999 S HN 1.230 nan 8.310 nan 0.000 0.551 1000 Q N -0.549 119.256 119.800 0.009 0.000 2.508 1000 Q HA 0.328 4.668 4.340 -0.001 0.000 0.214 1000 Q C 1.319 177.331 176.000 0.020 0.000 0.979 1000 Q CA 2.328 58.135 55.803 0.006 0.000 0.911 1000 Q CB -1.992 26.740 28.738 -0.011 0.000 0.969 1000 Q HN 2.411 nan 8.270 nan 0.000 0.504 1001 Q N -0.968 118.856 119.800 0.040 0.000 2.452 1001 Q HA -0.134 4.206 4.340 -0.001 0.000 0.318 1001 Q C 0.318 176.345 176.000 0.044 0.000 1.386 1001 Q CA 1.089 56.929 55.803 0.061 0.000 0.872 1001 Q CB -2.943 25.829 28.738 0.057 0.000 1.151 1001 Q HN 0.908 nan 8.270 nan 0.000 0.417 1002 T N 0.488 115.057 114.554 0.025 0.000 2.897 1002 T HA 0.542 4.891 4.350 -0.001 0.000 0.294 1002 T C 0.157 174.876 174.700 0.031 0.000 1.004 1002 T CA 0.223 62.332 62.100 0.015 0.000 1.106 1002 T CB 1.238 70.100 68.868 -0.011 0.000 0.949 1002 T HN 0.668 nan 8.240 nan 0.000 0.520 1003 E N 2.095 122.313 120.200 0.031 0.000 2.265 1003 E HA 0.474 4.824 4.350 -0.001 0.000 0.262 1003 E C -1.695 174.925 176.600 0.033 0.000 0.889 1003 E CA -0.578 55.845 56.400 0.038 0.000 0.789 1003 E CB 1.101 30.826 29.700 0.042 0.000 1.221 1003 E HN 0.329 nan 8.360 nan 0.000 0.414 1004 V N 4.923 124.858 119.914 0.035 0.000 2.289 1004 V HA 0.278 4.397 4.120 -0.001 0.000 0.272 1004 V C -0.463 175.659 176.094 0.046 0.000 1.026 1004 V CA -0.548 61.778 62.300 0.044 0.000 0.807 1004 V CB 1.165 33.013 31.823 0.042 0.000 1.044 1004 V HN 0.678 nan 8.190 nan 0.000 0.443 1005 E N 3.838 124.068 120.200 0.049 0.000 2.151 1005 E HA 0.537 4.886 4.350 -0.001 0.000 0.275 1005 E C -0.181 176.454 176.600 0.058 0.000 0.936 1005 E CA -0.527 55.899 56.400 0.044 0.000 0.777 1005 E CB 1.513 31.233 29.700 0.032 0.000 1.108 1005 E HN 0.621 nan 8.360 nan 0.000 0.401 1006 L N 4.625 125.881 121.223 0.056 0.000 3.066 1006 L HA 0.332 4.671 4.340 -0.001 0.000 0.265 1006 L C 0.677 177.574 176.870 0.046 0.000 1.232 1006 L CA -0.312 54.569 54.840 0.069 0.000 1.031 1006 L CB 0.017 42.126 42.059 0.083 0.000 1.379 1006 L HN 0.717 nan 8.230 nan 0.000 0.563 1007 R N 2.199 122.717 120.500 0.031 0.000 3.301 1007 R HA -0.190 4.149 4.340 -0.001 0.000 0.249 1007 R C -0.556 175.755 176.300 0.018 0.000 0.964 1007 R CA 0.785 56.897 56.100 0.019 0.000 0.653 1007 R CB -0.782 29.524 30.300 0.009 0.000 1.043 1007 R HN 0.514 nan 8.270 nan 0.000 0.454 1008 M N -2.201 117.411 119.600 0.020 0.000 2.667 1008 M HA 0.639 5.119 4.480 -0.001 0.000 0.286 1008 M C -2.659 173.648 176.300 0.012 0.000 1.270 1008 M CA -2.556 52.753 55.300 0.015 0.000 0.826 1008 M CB 1.735 34.344 32.600 0.017 0.000 1.743 1008 M HN -0.272 nan 8.290 nan 0.000 0.460 1009 P HA 0.233 nan 4.420 nan 0.000 0.276 1009 P C -1.020 176.281 177.300 0.001 0.000 1.235 1009 P CA -0.007 63.096 63.100 0.006 0.000 0.772 1009 P CB 0.907 32.608 31.700 0.002 0.000 0.871 1010 S N 3.738 119.439 115.700 0.002 0.000 2.718 1010 S HA 0.747 5.217 4.470 -0.001 0.000 0.294 1010 S C -0.759 173.855 174.600 0.022 0.000 1.157 1010 S CA -0.522 57.681 58.200 0.006 0.000 1.121 1010 S CB -0.774 62.426 63.200 0.000 0.000 1.015 1010 S HN 0.480 nan 8.310 nan 0.000 0.479 1011 L N 1.602 122.859 121.223 0.056 0.000 3.172 1011 L HA 0.550 4.890 4.340 -0.001 0.000 0.278 1011 L C -2.306 174.634 176.870 0.116 0.000 0.979 1011 L CA -1.244 53.690 54.840 0.158 0.000 1.017 1011 L CB 0.899 43.028 42.059 0.117 0.000 1.540 1011 L HN 0.345 nan 8.230 nan 0.000 0.392 1012 L N 2.133 123.476 121.223 0.200 0.000 2.255 1012 L HA 0.524 4.864 4.340 -0.001 0.000 0.289 1012 L C -2.206 174.712 176.870 0.080 0.000 1.046 1012 L CA -1.579 53.279 54.840 0.030 0.000 0.816 1012 L CB 1.059 43.026 42.059 -0.154 0.000 1.197 1012 L HN 0.410 nan 8.230 nan 0.000 0.427 1013 P HA 0.009 nan 4.420 nan 0.000 0.267 1013 P C 0.224 177.583 177.300 0.098 0.000 1.205 1013 P CA -0.182 62.953 63.100 0.057 0.000 0.765 1013 P CB 0.732 32.436 31.700 0.005 0.000 0.828 1014 D N 2.193 122.639 120.400 0.077 0.000 2.157 1014 D HA -0.213 4.426 4.640 -0.001 0.000 0.191 1014 D C 1.021 177.358 176.300 0.062 0.000 1.004 1014 D CA 1.672 55.710 54.000 0.065 0.000 0.854 1014 D CB -0.209 40.625 40.800 0.057 0.000 0.936 1014 D HN 0.572 nan 8.370 nan 0.000 0.446 1015 D N -0.788 119.658 120.400 0.077 0.000 2.325 1015 D HA -0.083 4.556 4.640 -0.001 0.000 0.234 1015 D C 1.374 177.754 176.300 0.133 0.000 1.122 1015 D CA -0.164 53.885 54.000 0.082 0.000 0.850 1015 D CB -0.433 40.409 40.800 0.070 0.000 0.921 1015 D HN 0.217 nan 8.370 nan 0.000 0.513 1016 F N 0.703 120.616 119.950 -0.062 0.000 2.514 1016 F HA 0.379 4.906 4.527 -0.001 0.000 0.281 1016 F C 0.351 176.036 175.800 -0.191 0.000 1.060 1016 F CA -0.096 57.840 58.000 -0.107 0.000 1.397 1016 F CB 0.642 39.543 39.000 -0.165 0.000 1.129 1016 F HN -0.204 nan 8.300 nan 0.000 0.620 1017 I N 1.737 122.150 120.570 -0.262 0.000 2.714 1017 I HA 0.205 4.375 4.170 -0.001 0.000 0.276 1017 I C -2.142 173.897 176.117 -0.129 0.000 1.196 1017 I CA -1.496 59.545 61.300 -0.432 0.000 1.068 1017 I CB 1.382 38.963 38.000 -0.698 0.000 1.291 1017 I HN -0.125 nan 8.210 nan 0.000 0.530 1018 P HA -0.160 nan 4.420 nan 0.000 0.215 1018 P C 0.326 177.632 177.300 0.009 0.000 1.153 1018 P CA 1.213 64.313 63.100 0.001 0.000 0.853 1018 P CB 0.092 31.797 31.700 0.008 0.000 0.788 1019 D N -0.863 119.546 120.400 0.014 0.000 2.356 1019 D HA -0.034 4.605 4.640 -0.001 0.000 0.272 1019 D C 1.238 177.561 176.300 0.038 0.000 1.337 1019 D CA 0.150 54.168 54.000 0.029 0.000 0.970 1019 D CB 0.225 41.051 40.800 0.043 0.000 1.092 1019 D HN -0.250 nan 8.370 nan 0.000 0.516 1020 V N 4.722 124.670 119.914 0.057 0.000 2.218 1020 V HA -0.368 3.751 4.120 -0.001 0.000 0.251 1020 V C 2.437 178.585 176.094 0.091 0.000 1.057 1020 V CA 1.990 64.344 62.300 0.090 0.000 1.022 1020 V CB -0.721 31.172 31.823 0.116 0.000 0.645 1020 V HN 0.727 nan 8.190 nan 0.000 0.451 1021 N N -0.297 118.449 118.700 0.077 0.000 2.096 1021 N HA -0.215 4.525 4.740 -0.001 0.000 0.195 1021 N C 1.833 177.356 175.510 0.021 0.000 1.017 1021 N CA 2.367 55.435 53.050 0.030 0.000 0.870 1021 N CB -0.311 38.165 38.487 -0.018 0.000 1.024 1021 N HN 0.611 nan 8.380 nan 0.000 0.434 1022 T N 0.723 115.305 114.554 0.047 0.000 2.684 1022 T HA -0.112 4.238 4.350 -0.001 0.000 0.267 1022 T C 2.049 176.834 174.700 0.142 0.000 1.036 1022 T CA 1.029 63.190 62.100 0.101 0.000 1.148 1022 T CB -0.072 68.888 68.868 0.153 0.000 0.863 1022 T HN 0.290 nan 8.240 nan 0.000 0.436 1023 R N 0.208 120.732 120.500 0.040 0.000 2.082 1023 R HA -0.068 4.272 4.340 -0.001 0.000 0.234 1023 R C 2.361 178.615 176.300 -0.077 0.000 1.136 1023 R CA 1.298 57.344 56.100 -0.090 0.000 0.935 1023 R CB -0.796 29.448 30.300 -0.094 0.000 0.842 1023 R HN 0.215 nan 8.270 nan 0.000 0.430 1024 L N 0.709 121.985 121.223 0.089 0.000 2.034 1024 L HA -0.287 4.053 4.340 -0.001 0.000 0.217 1024 L C 1.926 178.848 176.870 0.086 0.000 1.077 1024 L CA 2.045 56.999 54.840 0.190 0.000 0.769 1024 L CB -0.852 41.276 42.059 0.115 0.000 0.890 1024 L HN 0.119 nan 8.230 nan 0.000 0.435 1025 S N -0.910 114.785 115.700 -0.009 0.000 2.370 1025 S HA -0.169 4.301 4.470 -0.001 0.000 0.226 1025 S C 1.746 176.254 174.600 -0.153 0.000 1.033 1025 S CA 1.723 59.855 58.200 -0.113 0.000 1.011 1025 S CB -0.598 62.475 63.200 -0.212 0.000 0.852 1025 S HN 0.512 nan 8.310 nan 0.000 0.457 1026 F N 0.345 120.220 119.950 -0.126 0.000 2.171 1026 F HA -0.060 4.467 4.527 -0.001 0.000 0.300 1026 F C 2.025 177.774 175.800 -0.085 0.000 1.090 1026 F CA 1.008 58.924 58.000 -0.140 0.000 1.293 1026 F CB -0.621 38.238 39.000 -0.235 0.000 1.013 1026 F HN 0.234 nan 8.300 nan 0.000 0.486 1027 Y N -0.091 120.303 120.300 0.157 0.000 2.049 1027 Y HA -0.315 4.235 4.550 -0.001 0.000 0.277 1027 Y C 2.689 178.620 175.900 0.050 0.000 1.143 1027 Y CA 1.152 59.304 58.100 0.087 0.000 1.115 1027 Y CB -0.395 38.098 38.460 0.055 0.000 0.975 1027 Y HN -0.228 nan 8.280 nan 0.000 0.487 1028 K N 0.941 121.457 120.400 0.194 0.000 2.059 1028 K HA -0.238 4.082 4.320 -0.001 0.000 0.212 1028 K C 1.996 178.631 176.600 0.058 0.000 1.050 1028 K CA 1.662 58.002 56.287 0.089 0.000 0.927 1028 K CB -0.396 32.118 32.500 0.025 0.000 0.714 1028 K HN 0.342 nan 8.250 nan 0.000 0.447 1029 R N -0.009 120.500 120.500 0.015 0.000 2.083 1029 R HA -0.073 4.267 4.340 -0.001 0.000 0.237 1029 R C 2.524 178.851 176.300 0.045 0.000 1.137 1029 R CA 1.675 57.768 56.100 -0.012 0.000 0.951 1029 R CB -0.331 29.907 30.300 -0.103 0.000 0.851 1029 R HN 0.241 nan 8.270 nan 0.000 0.434 1030 I N 0.297 120.925 120.570 0.097 0.000 2.202 1030 I HA -0.232 3.937 4.170 -0.001 0.000 0.242 1030 I C 2.635 178.808 176.117 0.094 0.000 1.091 1030 I CA 1.111 62.476 61.300 0.108 0.000 1.368 1030 I CB -0.495 37.596 38.000 0.151 0.000 1.058 1030 I HN 0.201 nan 8.210 nan 0.000 0.410 1031 A N 0.276 123.170 122.820 0.123 0.000 1.883 1031 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 1031 A C 2.447 180.087 177.584 0.093 0.000 1.186 1031 A CA 2.418 54.533 52.037 0.131 0.000 0.624 1031 A CB -0.718 18.389 19.000 0.178 0.000 0.822 1031 A HN 0.404 nan 8.150 nan 0.000 0.444 1032 S N -0.415 115.336 115.700 0.084 0.000 2.470 1032 S HA 0.388 4.858 4.470 -0.001 0.000 0.225 1032 S C 1.234 175.845 174.600 0.019 0.000 1.006 1032 S CA 0.251 58.483 58.200 0.054 0.000 0.934 1032 S CB -0.521 62.708 63.200 0.048 0.000 0.778 1032 S HN 0.844 nan 8.310 nan 0.000 0.517 1033 A N 1.550 124.383 122.820 0.022 0.000 2.609 1033 A HA 0.183 4.502 4.320 -0.001 0.000 0.235 1033 A C 1.164 178.746 177.584 -0.003 0.000 1.092 1033 A CA 0.657 52.701 52.037 0.011 0.000 0.780 1033 A CB 0.112 19.125 19.000 0.022 0.000 1.031 1033 A HN 0.248 nan 8.150 nan 0.000 0.515 1034 K N -1.681 118.715 120.400 -0.007 0.000 2.590 1034 K HA 0.134 4.454 4.320 -0.001 0.000 0.218 1034 K C 0.582 177.173 176.600 -0.015 0.000 1.536 1034 K CA 1.005 57.282 56.287 -0.016 0.000 1.013 1034 K CB 0.534 33.023 32.500 -0.017 0.000 1.265 1034 K HN 0.976 nan 8.250 nan 0.000 0.603 1035 T N -2.726 111.822 114.554 -0.010 0.000 2.870 1035 T HA 0.313 4.662 4.350 -0.001 0.000 0.277 1035 T C 0.949 175.644 174.700 -0.007 0.000 1.000 1035 T CA -0.568 61.525 62.100 -0.011 0.000 0.982 1035 T CB 1.488 70.351 68.868 -0.010 0.000 1.249 1035 T HN 0.091 nan 8.240 nan 0.000 0.589 1036 E N -0.112 120.082 120.200 -0.009 0.000 2.158 1036 E HA -0.092 4.258 4.350 -0.001 0.000 0.191 1036 E C 1.608 178.207 176.600 -0.001 0.000 0.982 1036 E CA 0.587 56.983 56.400 -0.007 0.000 0.823 1036 E CB -0.048 29.644 29.700 -0.013 0.000 0.766 1036 E HN 0.544 nan 8.360 nan 0.000 0.468 1037 N N 0.931 119.630 118.700 -0.002 0.000 2.270 1037 N HA -0.121 4.619 4.740 -0.001 0.000 0.181 1037 N C 1.395 176.911 175.510 0.009 0.000 1.016 1037 N CA 0.916 53.968 53.050 0.003 0.000 0.870 1037 N CB -0.038 38.449 38.487 -0.001 0.000 0.979 1037 N HN 0.330 nan 8.380 nan 0.000 0.431 1038 E N 0.802 121.006 120.200 0.008 0.000 2.106 1038 E HA -0.049 4.301 4.350 -0.001 0.000 0.192 1038 E C 1.940 178.555 176.600 0.026 0.000 0.984 1038 E CA 0.553 56.961 56.400 0.013 0.000 0.806 1038 E CB -0.014 29.690 29.700 0.007 0.000 0.750 1038 E HN 0.299 nan 8.360 nan 0.000 0.458 1039 L N 0.876 122.114 121.223 0.025 0.000 2.156 1039 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 1039 L C 2.396 179.290 176.870 0.040 0.000 1.095 1039 L CA 0.630 55.492 54.840 0.036 0.000 0.770 1039 L CB -0.165 41.911 42.059 0.027 0.000 0.914 1039 L HN 0.038 nan 8.230 nan 0.000 0.439 1040 E N 0.127 120.344 120.200 0.028 0.000 2.046 1040 E HA -0.231 4.118 4.350 -0.001 0.000 0.190 1040 E C 1.954 178.578 176.600 0.040 0.000 0.982 1040 E CA 1.020 57.437 56.400 0.029 0.000 0.800 1040 E CB -0.018 29.692 29.700 0.017 0.000 0.756 1040 E HN 0.338 nan 8.360 nan 0.000 0.449 1041 E N 1.268 121.491 120.200 0.038 0.000 2.049 1041 E HA -0.176 4.174 4.350 -0.001 0.000 0.198 1041 E C 2.080 178.725 176.600 0.074 0.000 1.007 1041 E CA 1.334 57.761 56.400 0.044 0.000 0.809 1041 E CB -0.425 29.295 29.700 0.033 0.000 0.749 1041 E HN 0.242 nan 8.360 nan 0.000 0.450 1042 I N 0.456 121.079 120.570 0.088 0.000 2.264 1042 I HA -0.275 3.894 4.170 -0.001 0.000 0.248 1042 I C 2.636 178.846 176.117 0.156 0.000 1.111 1042 I CA 1.372 62.764 61.300 0.152 0.000 1.382 1042 I CB -0.505 37.592 38.000 0.161 0.000 1.060 1042 I HN 0.188 nan 8.210 nan 0.000 0.418 1043 K N 1.329 121.787 120.400 0.097 0.000 2.026 1043 K HA -0.147 4.173 4.320 -0.001 0.000 0.208 1043 K C 2.113 178.761 176.600 0.080 0.000 1.048 1043 K CA 1.535 57.868 56.287 0.075 0.000 0.929 1043 K CB 0.033 32.561 32.500 0.046 0.000 0.713 1043 K HN 0.153 nan 8.250 nan 0.000 0.439 1044 V N 1.550 121.506 119.914 0.071 0.000 2.332 1044 V HA -0.242 3.878 4.120 -0.001 0.000 0.248 1044 V C 2.384 178.525 176.094 0.079 0.000 1.055 1044 V CA 2.179 64.516 62.300 0.061 0.000 1.038 1044 V CB -0.637 31.213 31.823 0.045 0.000 0.651 1044 V HN 0.467 nan 8.190 nan 0.000 0.450 1045 E N 0.350 120.618 120.200 0.113 0.000 2.023 1045 E HA -0.230 4.120 4.350 -0.001 0.000 0.196 1045 E C 2.265 178.961 176.600 0.160 0.000 1.003 1045 E CA 1.741 58.229 56.400 0.147 0.000 0.809 1045 E CB -0.213 29.631 29.700 0.241 0.000 0.755 1045 E HN 0.537 nan 8.360 nan 0.000 0.449 1046 L N 0.648 121.973 121.223 0.170 0.000 1.991 1046 L HA -0.297 4.042 4.340 -0.001 0.000 0.221 1046 L C 2.646 179.640 176.870 0.206 0.000 1.079 1046 L CA 1.602 56.520 54.840 0.130 0.000 0.778 1046 L CB -0.589 41.488 42.059 0.030 0.000 0.893 1046 L HN 0.328 nan 8.230 nan 0.000 0.437 1047 I N -0.312 120.349 120.570 0.151 0.000 2.208 1047 I HA -0.306 3.863 4.170 -0.001 0.000 0.245 1047 I C 2.068 178.225 176.117 0.067 0.000 1.097 1047 I CA 1.685 63.062 61.300 0.129 0.000 1.363 1047 I CB -0.430 37.620 38.000 0.082 0.000 1.051 1047 I HN 0.316 nan 8.210 nan 0.000 0.413 1048 D N 0.346 120.763 120.400 0.030 0.000 2.348 1048 D HA -0.151 4.489 4.640 -0.001 0.000 0.216 1048 D C 2.159 178.376 176.300 -0.139 0.000 0.970 1048 D CA 0.833 54.812 54.000 -0.036 0.000 0.889 1048 D CB 0.152 40.937 40.800 -0.025 0.000 0.912 1048 D HN 0.121 nan 8.370 nan 0.000 0.524 1049 R N -1.754 118.641 120.500 -0.175 0.000 2.394 1049 R HA 0.210 4.550 4.340 -0.001 0.000 0.220 1049 R C 0.175 175.965 176.300 -0.851 0.000 0.887 1049 R CA 0.171 55.963 56.100 -0.514 0.000 1.034 1049 R CB 0.428 30.427 30.300 -0.501 0.000 1.179 1049 R HN 0.109 nan 8.270 nan 0.000 0.561 1050 F N -0.949 118.858 119.950 -0.237 0.000 2.960 1050 F HA 0.393 4.920 4.527 -0.001 0.000 0.345 1050 F C 0.922 176.656 175.800 -0.111 0.000 1.147 1050 F CA 0.093 57.901 58.000 -0.320 0.000 1.099 1050 F CB 1.177 39.694 39.000 -0.805 0.000 1.219 1050 F HN 0.152 nan 8.300 nan 0.000 0.525 1051 G N 1.457 110.326 108.800 0.116 0.000 2.552 1051 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.265 1051 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.265 1051 G C -0.356 174.673 174.900 0.214 0.000 1.234 1051 G CA -0.405 44.779 45.100 0.139 0.000 0.944 1051 G HN 0.211 nan 8.290 nan 0.000 0.568 1052 L N -0.233 121.093 121.223 0.172 0.000 2.678 1052 L HA 0.282 4.622 4.340 -0.001 0.000 0.285 1052 L C 0.673 177.631 176.870 0.148 0.000 1.233 1052 L CA 0.149 55.067 54.840 0.131 0.000 0.920 1052 L CB 0.267 42.384 42.059 0.097 0.000 1.176 1052 L HN 0.721 nan 8.230 nan 0.000 0.495 1053 L N 9.045 130.286 121.223 0.031 0.000 2.315 1053 L HA 0.418 4.757 4.340 -0.001 0.000 0.283 1053 L C -1.872 174.847 176.870 -0.252 0.000 1.089 1053 L CA -1.466 53.285 54.840 -0.148 0.000 0.833 1053 L CB 0.215 42.221 42.059 -0.088 0.000 1.170 1053 L HN 0.538 nan 8.230 nan 0.000 0.442 1054 P HA 0.058 nan 4.420 nan 0.000 0.281 1054 P C -0.154 177.006 177.300 -0.233 0.000 1.274 1054 P CA -0.066 62.835 63.100 -0.332 0.000 0.794 1054 P CB 0.652 32.069 31.700 -0.473 0.000 1.201 1055 D N -1.016 119.289 120.400 -0.158 0.000 2.201 1055 D HA 0.005 4.645 4.640 -0.001 0.000 0.209 1055 D C -0.941 175.294 176.300 -0.107 0.000 0.961 1055 D CA 1.200 55.137 54.000 -0.105 0.000 0.861 1055 D CB -1.847 38.915 40.800 -0.063 0.000 0.997 1055 D HN 0.325 nan 8.370 nan 0.000 0.486 1056 P HA -0.050 nan 4.420 nan 0.000 0.221 1056 P C 0.704 177.939 177.300 -0.109 0.000 1.145 1056 P CA 1.191 64.240 63.100 -0.086 0.000 0.795 1056 P CB 0.122 31.779 31.700 -0.072 0.000 0.775 1057 A N 0.063 122.759 122.820 -0.207 0.000 1.843 1057 A HA -0.131 4.188 4.320 -0.001 0.000 0.213 1057 A C 2.208 179.712 177.584 -0.134 0.000 1.202 1057 A CA 0.979 52.876 52.037 -0.234 0.000 0.607 1057 A CB -0.891 17.813 19.000 -0.494 0.000 0.847 1057 A HN 0.011 nan 8.150 nan 0.000 0.445 1058 R N -0.622 119.800 120.500 -0.130 0.000 2.113 1058 R HA -0.141 4.199 4.340 -0.001 0.000 0.244 1058 R C 2.279 178.556 176.300 -0.039 0.000 1.142 1058 R CA 1.928 57.986 56.100 -0.070 0.000 0.953 1058 R CB -1.157 29.107 30.300 -0.060 0.000 0.860 1058 R HN 0.517 nan 8.270 nan 0.000 0.438 1059 T N 2.037 116.567 114.554 -0.039 0.000 2.607 1059 T HA -0.168 4.182 4.350 -0.001 0.000 0.267 1059 T C 1.782 176.482 174.700 0.001 0.000 1.049 1059 T CA 1.504 63.596 62.100 -0.013 0.000 1.162 1059 T CB -0.402 68.458 68.868 -0.012 0.000 0.863 1059 T HN 0.089 nan 8.240 nan 0.000 0.424 1060 L N 1.137 122.361 121.223 0.001 0.000 1.991 1060 L HA -0.153 4.187 4.340 -0.001 0.000 0.221 1060 L C 2.253 179.146 176.870 0.037 0.000 1.079 1060 L CA 1.811 56.671 54.840 0.034 0.000 0.778 1060 L CB -1.154 40.943 42.059 0.063 0.000 0.893 1060 L HN 0.322 nan 8.230 nan 0.000 0.437 1061 L N -0.864 120.372 121.223 0.023 0.000 1.989 1061 L HA -0.241 4.099 4.340 -0.001 0.000 0.211 1061 L C 2.411 179.293 176.870 0.020 0.000 1.071 1061 L CA 1.675 56.531 54.840 0.027 0.000 0.749 1061 L CB -1.007 41.062 42.059 0.016 0.000 0.890 1061 L HN 0.317 nan 8.230 nan 0.000 0.431 1062 D N 0.313 120.720 120.400 0.011 0.000 2.116 1062 D HA -0.203 4.436 4.640 -0.001 0.000 0.193 1062 D C 2.295 178.604 176.300 0.016 0.000 0.998 1062 D CA 1.479 55.486 54.000 0.011 0.000 0.836 1062 D CB -0.154 40.652 40.800 0.009 0.000 0.951 1062 D HN 0.322 nan 8.370 nan 0.000 0.449 1063 I N 1.189 121.772 120.570 0.022 0.000 2.264 1063 I HA -0.275 3.895 4.170 -0.001 0.000 0.248 1063 I C 2.499 178.630 176.117 0.022 0.000 1.111 1063 I CA 0.898 62.214 61.300 0.026 0.000 1.382 1063 I CB -0.231 37.786 38.000 0.029 0.000 1.060 1063 I HN -0.075 nan 8.210 nan 0.000 0.418 1064 A N 0.788 123.623 122.820 0.025 0.000 1.948 1064 A HA -0.288 4.032 4.320 -0.001 0.000 0.220 1064 A C 2.304 179.894 177.584 0.010 0.000 1.177 1064 A CA 2.065 54.116 52.037 0.024 0.000 0.636 1064 A CB -0.515 18.508 19.000 0.039 0.000 0.815 1064 A HN 0.308 nan 8.150 nan 0.000 0.449 1065 R N 0.187 120.692 120.500 0.009 0.000 2.090 1065 R HA 0.051 4.390 4.340 -0.001 0.000 0.228 1065 R C 1.848 178.144 176.300 -0.007 0.000 1.110 1065 R CA 1.475 57.574 56.100 -0.001 0.000 0.973 1065 R CB -0.880 29.419 30.300 -0.001 0.000 0.869 1065 R HN 0.531 nan 8.270 nan 0.000 0.440 1066 L N -0.026 121.197 121.223 -0.000 0.000 1.976 1066 L HA -0.094 4.246 4.340 -0.001 0.000 0.209 1066 L C 2.685 179.553 176.870 -0.002 0.000 1.071 1066 L CA 1.870 56.709 54.840 -0.001 0.000 0.746 1066 L CB -0.664 41.406 42.059 0.017 0.000 0.890 1066 L HN 0.219 nan 8.230 nan 0.000 0.432 1067 R N 0.008 120.509 120.500 0.002 0.000 2.174 1067 R HA -0.260 4.079 4.340 -0.001 0.000 0.253 1067 R C 2.297 178.585 176.300 -0.021 0.000 1.165 1067 R CA 1.893 57.990 56.100 -0.006 0.000 0.984 1067 R CB -0.092 30.202 30.300 -0.010 0.000 0.873 1067 R HN 0.509 nan 8.270 nan 0.000 0.456 1068 Q N -0.338 119.449 119.800 -0.023 0.000 1.969 1068 Q HA -0.172 4.168 4.340 -0.001 0.000 0.198 1068 Q C 2.233 178.218 176.000 -0.024 0.000 0.978 1068 Q CA 1.585 57.371 55.803 -0.029 0.000 0.830 1068 Q CB -0.135 28.588 28.738 -0.026 0.000 0.896 1068 Q HN 0.453 nan 8.270 nan 0.000 0.431 1069 Q N 0.458 120.243 119.800 -0.025 0.000 2.156 1069 Q HA -0.287 4.053 4.340 -0.001 0.000 0.211 1069 Q C 2.134 178.121 176.000 -0.022 0.000 0.995 1069 Q CA 1.496 57.281 55.803 -0.031 0.000 0.877 1069 Q CB -0.491 28.220 28.738 -0.045 0.000 0.920 1069 Q HN 0.395 nan 8.270 nan 0.000 0.416 1070 A N 1.389 124.201 122.820 -0.014 0.000 1.892 1070 A HA -0.290 4.030 4.320 -0.001 0.000 0.218 1070 A C 2.079 179.663 177.584 0.000 0.000 1.188 1070 A CA 1.854 53.891 52.037 -0.001 0.000 0.631 1070 A CB -0.589 18.412 19.000 0.002 0.000 0.822 1070 A HN 0.418 nan 8.150 nan 0.000 0.447 1071 Q N -0.956 118.837 119.800 -0.011 0.000 2.016 1071 Q HA -0.175 4.165 4.340 -0.001 0.000 0.200 1071 Q C 2.545 178.540 176.000 -0.010 0.000 0.978 1071 Q CA 2.075 57.869 55.803 -0.015 0.000 0.833 1071 Q CB -0.424 28.299 28.738 -0.026 0.000 0.895 1071 Q HN 0.717 nan 8.270 nan 0.000 0.427 1072 K N 1.280 121.681 120.400 0.000 0.000 2.218 1072 K HA -0.117 4.203 4.320 -0.001 0.000 0.205 1072 K C 1.707 178.347 176.600 0.067 0.000 1.046 1072 K CA 1.451 57.756 56.287 0.030 0.000 0.933 1072 K CB -0.741 31.768 32.500 0.016 0.000 0.728 1072 K HN 0.228 nan 8.250 nan 0.000 0.454 1073 L N -2.345 118.893 121.223 0.026 0.000 2.590 1073 L HA 0.312 4.651 4.340 -0.001 0.000 0.227 1073 L C 1.716 178.570 176.870 -0.027 0.000 1.099 1073 L CA 0.444 55.302 54.840 0.029 0.000 0.872 1073 L CB 0.153 42.225 42.059 0.021 0.000 1.088 1073 L HN 0.678 nan 8.230 nan 0.000 0.479 1074 G N 0.902 109.686 108.800 -0.026 0.000 2.731 1074 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.218 1074 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.218 1074 G C 0.207 175.154 174.900 0.079 0.000 1.349 1074 G CA -0.373 44.731 45.100 0.008 0.000 1.225 1074 G HN 0.082 nan 8.290 nan 0.000 0.526 1075 I N 0.841 121.522 120.570 0.186 0.000 4.803 1075 I HA -0.213 3.957 4.170 -0.001 0.000 0.126 1075 I C 1.153 177.275 176.117 0.007 0.000 1.178 1075 I CA 1.031 62.355 61.300 0.041 0.000 2.663 1075 I CB -0.332 37.669 38.000 0.003 0.000 1.913 1075 I HN 0.566 nan 8.210 nan 0.000 0.326 1076 R N 3.601 124.108 120.500 0.012 0.000 2.391 1076 R HA 0.168 4.507 4.340 -0.001 0.000 0.225 1076 R C 0.099 176.400 176.300 0.002 0.000 1.079 1076 R CA 0.400 56.509 56.100 0.014 0.000 1.147 1076 R CB 0.107 30.425 30.300 0.029 0.000 1.103 1076 R HN 0.580 nan 8.270 nan 0.000 0.499 1077 K N -1.035 119.353 120.400 -0.019 0.000 3.035 1077 K HA 0.147 4.466 4.320 -0.001 0.000 0.330 1077 K C -2.405 174.184 176.600 -0.018 0.000 1.164 1077 K CA -0.575 55.707 56.287 -0.009 0.000 0.919 1077 K CB 0.208 32.705 32.500 -0.005 0.000 1.368 1077 K HN 0.007 nan 8.250 nan 0.000 0.385 1078 L N 3.096 124.333 121.223 0.024 0.000 2.680 1078 L HA 0.441 4.781 4.340 -0.001 0.000 0.260 1078 L C -1.468 175.460 176.870 0.096 0.000 0.975 1078 L CA -0.225 54.661 54.840 0.075 0.000 0.920 1078 L CB 1.272 43.399 42.059 0.113 0.000 1.234 1078 L HN 0.734 nan 8.230 nan 0.000 0.429 1079 E N 3.067 123.307 120.200 0.067 0.000 2.231 1079 E HA 0.694 5.043 4.350 -0.001 0.000 0.277 1079 E C -0.142 176.493 176.600 0.058 0.000 0.999 1079 E CA -0.636 55.788 56.400 0.040 0.000 0.827 1079 E CB 2.077 31.767 29.700 -0.017 0.000 1.101 1079 E HN 0.641 nan 8.360 nan 0.000 0.393 1080 G N 1.937 110.784 108.800 0.078 0.000 2.620 1080 G HA2 0.523 4.483 3.960 -0.001 0.000 0.301 1080 G HA3 0.523 4.483 3.960 -0.001 0.000 0.301 1080 G C -1.009 173.908 174.900 0.029 0.000 1.347 1080 G CA -0.624 44.544 45.100 0.113 0.000 0.971 1080 G HN 0.580 nan 8.290 nan 0.000 0.488 1081 N N -1.149 117.543 118.700 -0.014 0.000 3.418 1081 N HA 0.281 5.021 4.740 -0.001 0.000 0.316 1081 N C 0.721 176.209 175.510 -0.036 0.000 1.601 1081 N CA -0.823 52.209 53.050 -0.031 0.000 0.805 1081 N CB 0.660 39.107 38.487 -0.066 0.000 1.873 1081 N HN 0.317 nan 8.380 nan 0.000 0.615 1082 E N 0.399 120.572 120.200 -0.044 0.000 2.110 1082 E HA -0.138 4.212 4.350 -0.001 0.000 0.193 1082 E C 0.619 177.172 176.600 -0.077 0.000 0.988 1082 E CA 1.352 57.724 56.400 -0.048 0.000 0.804 1082 E CB -0.116 29.559 29.700 -0.042 0.000 0.745 1082 E HN 0.580 nan 8.360 nan 0.000 0.458 1083 K N -0.186 120.153 120.400 -0.101 0.000 2.242 1083 K HA 0.140 4.460 4.320 -0.001 0.000 0.200 1083 K C 1.396 177.883 176.600 -0.187 0.000 1.050 1083 K CA 0.765 56.974 56.287 -0.130 0.000 0.981 1083 K CB 0.854 33.281 32.500 -0.121 0.000 0.795 1083 K HN 0.166 nan 8.250 nan 0.000 0.477 1084 G N -0.141 108.525 108.800 -0.223 0.000 2.528 1084 G HA2 0.376 4.335 3.960 -0.001 0.000 0.078 1084 G HA3 0.376 4.335 3.960 -0.001 0.000 0.078 1084 G C -0.648 173.868 174.900 -0.641 0.000 1.008 1084 G CA -0.169 44.728 45.100 -0.337 0.000 1.309 1084 G HN 0.415 nan 8.290 nan 0.000 0.564 1085 G N -2.088 105.894 108.800 -1.363 0.000 2.327 1085 G HA2 0.567 4.527 3.960 -0.001 0.000 0.291 1085 G HA3 0.567 4.527 3.960 -0.001 0.000 0.291 1085 G C -2.146 172.004 174.900 -1.250 0.000 1.290 1085 G CA 0.443 44.718 45.100 -1.375 0.000 0.857 1085 G HN 1.523 nan 8.290 nan 0.000 0.520 1086 V N 1.248 120.836 119.914 -0.544 0.000 2.577 1086 V HA 0.407 4.527 4.120 -0.001 0.000 0.294 1086 V C -0.355 175.747 176.094 0.014 0.000 1.052 1086 V CA -0.691 61.490 62.300 -0.199 0.000 0.891 1086 V CB 1.484 33.218 31.823 -0.148 0.000 1.017 1086 V HN 0.696 nan 8.190 nan 0.000 0.436 1087 I N 3.474 124.102 120.570 0.098 0.000 2.371 1087 I HA 0.418 4.588 4.170 -0.001 0.000 0.290 1087 I C 0.361 176.308 176.117 -0.285 0.000 1.028 1087 I CA 0.039 61.293 61.300 -0.076 0.000 1.345 1087 I CB 1.451 39.372 38.000 -0.131 0.000 1.407 1087 I HN 0.766 nan 8.210 nan 0.000 0.501 1088 E N 6.588 126.615 120.200 -0.289 0.000 2.149 1088 E HA 0.394 4.744 4.350 -0.001 0.000 0.255 1088 E C -1.071 175.408 176.600 -0.202 0.000 0.888 1088 E CA -0.499 55.796 56.400 -0.174 0.000 0.742 1088 E CB 0.798 30.466 29.700 -0.053 0.000 1.164 1088 E HN 0.290 nan 8.360 nan 0.000 0.422 1089 F N 1.723 121.728 119.950 0.091 0.000 2.399 1089 F HA 0.462 4.989 4.527 -0.000 0.000 0.313 1089 F C 0.944 176.765 175.800 0.036 0.000 1.202 1089 F CA -0.590 57.449 58.000 0.065 0.000 1.192 1089 F CB 0.756 39.800 39.000 0.073 0.000 1.256 1089 F HN 0.387 nan 8.300 nan 0.000 0.558 1090 A N 0.574 123.542 122.820 0.248 0.000 2.312 1090 A HA 0.477 4.797 4.320 -0.001 0.000 0.328 1090 A C 0.789 178.423 177.584 0.084 0.000 1.158 1090 A CA -0.686 51.420 52.037 0.115 0.000 0.821 1090 A CB 0.684 19.719 19.000 0.058 0.000 1.170 1090 A HN 0.793 nan 8.150 nan 0.000 0.490 1091 E N 0.984 121.215 120.200 0.053 0.000 2.136 1091 E HA -0.127 4.222 4.350 -0.001 0.000 0.202 1091 E C 1.136 177.738 176.600 0.005 0.000 1.019 1091 E CA 2.438 58.856 56.400 0.031 0.000 0.819 1091 E CB -0.493 29.220 29.700 0.022 0.000 0.739 1091 E HN 0.726 nan 8.360 nan 0.000 0.458 1092 K N 1.627 122.017 120.400 -0.016 0.000 2.300 1092 K HA 0.437 4.757 4.320 -0.001 0.000 0.264 1092 K C -0.479 176.040 176.600 -0.135 0.000 1.083 1092 K CA -0.245 56.008 56.287 -0.056 0.000 0.958 1092 K CB -0.557 31.912 32.500 -0.051 0.000 1.318 1092 K HN 0.429 nan 8.250 nan 0.000 0.448 1093 N N -1.341 117.274 118.700 -0.141 0.000 2.653 1093 N HA 0.448 5.188 4.740 -0.001 0.000 0.294 1093 N C -0.176 175.192 175.510 -0.236 0.000 1.305 1093 N CA -0.870 52.047 53.050 -0.222 0.000 0.827 1093 N CB 1.133 39.565 38.487 -0.092 0.000 1.415 1093 N HN 0.276 nan 8.380 nan 0.000 0.546 1094 H N -0.949 118.089 119.070 -0.054 0.000 2.505 1094 H HA 0.371 4.926 4.556 -0.001 0.000 0.260 1094 H C -0.704 174.550 175.328 -0.123 0.000 1.168 1094 H CA -0.436 55.562 56.048 -0.082 0.000 0.945 1094 H CB -0.168 29.545 29.762 -0.082 0.000 1.800 1094 H HN 0.198 nan 8.280 nan 0.000 0.586 1095 V N 2.272 122.151 119.914 -0.057 0.000 2.385 1095 V HA 0.028 4.148 4.120 -0.001 0.000 0.269 1095 V C 0.836 176.923 176.094 -0.012 0.000 1.043 1095 V CA -0.727 61.521 62.300 -0.086 0.000 0.906 1095 V CB 1.029 32.702 31.823 -0.249 0.000 0.995 1095 V HN 0.403 nan 8.190 nan 0.000 0.467 1096 N N 7.146 125.864 118.700 0.029 0.000 2.497 1096 N HA 0.163 4.902 4.740 -0.001 0.000 0.268 1096 N C -1.785 173.819 175.510 0.157 0.000 1.171 1096 N CA -1.501 51.592 53.050 0.072 0.000 0.948 1096 N CB 2.029 40.550 38.487 0.056 0.000 1.069 1096 N HN 0.243 nan 8.380 nan 0.000 0.460 1097 P HA 0.013 nan 4.420 nan 0.000 0.216 1097 P C 0.802 178.147 177.300 0.074 0.000 1.153 1097 P CA 1.175 64.314 63.100 0.065 0.000 0.844 1097 P CB 0.139 31.856 31.700 0.029 0.000 0.787 1098 A N -1.086 121.784 122.820 0.082 0.000 1.940 1098 A HA -0.215 4.104 4.320 -0.001 0.000 0.219 1098 A C 2.171 179.818 177.584 0.104 0.000 1.176 1098 A CA 1.586 53.666 52.037 0.073 0.000 0.631 1098 A CB -1.914 17.128 19.000 0.069 0.000 0.814 1098 A HN 0.265 nan 8.150 nan 0.000 0.446 1099 W N 0.286 121.566 121.300 -0.033 0.000 2.380 1099 W HA -0.099 4.561 4.660 -0.001 0.000 0.317 1099 W C 1.766 178.264 176.519 -0.034 0.000 1.196 1099 W CA 1.670 58.994 57.345 -0.036 0.000 1.307 1099 W CB -0.646 28.788 29.460 -0.044 0.000 1.157 1099 W HN 0.281 nan 8.180 nan 0.000 0.483 1100 L N 0.998 122.165 121.223 -0.094 0.000 2.012 1100 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 1100 L C 2.362 179.083 176.870 -0.250 0.000 1.073 1100 L CA 2.223 56.873 54.840 -0.317 0.000 0.748 1100 L CB -1.546 40.490 42.059 -0.037 0.000 0.891 1100 L HN 0.177 nan 8.230 nan 0.000 0.431 1101 I N -0.046 120.456 120.570 -0.113 0.000 2.286 1101 I HA -0.131 4.039 4.170 -0.001 0.000 0.248 1101 I C 2.179 178.227 176.117 -0.115 0.000 1.115 1101 I CA 1.646 62.897 61.300 -0.082 0.000 1.392 1101 I CB -0.988 36.993 38.000 -0.032 0.000 1.065 1101 I HN 0.295 nan 8.210 nan 0.000 0.418 1102 G N -0.175 108.539 108.800 -0.143 0.000 2.534 1102 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.217 1102 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.217 1102 G C 1.637 176.403 174.900 -0.222 0.000 1.128 1102 G CA 0.500 45.517 45.100 -0.138 0.000 0.784 1102 G HN 0.450 nan 8.290 nan 0.000 0.542 1103 L N -0.341 120.654 121.223 -0.379 0.000 2.168 1103 L HA 0.281 4.621 4.340 -0.001 0.000 0.203 1103 L C 2.659 179.338 176.870 -0.318 0.000 1.078 1103 L CA 0.376 54.908 54.840 -0.513 0.000 0.780 1103 L CB -0.033 41.464 42.059 -0.937 0.000 0.939 1103 L HN 0.159 nan 8.230 nan 0.000 0.451 1104 L N -0.162 120.934 121.223 -0.212 0.000 2.131 1104 L HA -0.237 4.102 4.340 -0.001 0.000 0.210 1104 L C 2.742 179.592 176.870 -0.033 0.000 1.092 1104 L CA 1.505 56.305 54.840 -0.067 0.000 0.759 1104 L CB -0.363 41.675 42.059 -0.036 0.000 0.903 1104 L HN 0.485 nan 8.230 nan 0.000 0.435 1105 Q N -0.425 119.342 119.800 -0.055 0.000 2.226 1105 Q HA -0.091 4.248 4.340 -0.001 0.000 0.199 1105 Q C 1.773 177.759 176.000 -0.023 0.000 0.945 1105 Q CA 0.483 56.268 55.803 -0.030 0.000 0.861 1105 Q CB -0.205 28.516 28.738 -0.029 0.000 0.953 1105 Q HN 0.366 nan 8.270 nan 0.000 0.490 1106 K N 0.420 120.799 120.400 -0.035 0.000 2.365 1106 K HA -0.027 4.293 4.320 -0.001 0.000 0.199 1106 K C 0.645 177.253 176.600 0.013 0.000 1.045 1106 K CA 0.672 56.950 56.287 -0.014 0.000 0.962 1106 K CB 0.249 32.739 32.500 -0.018 0.000 0.759 1106 K HN 0.238 nan 8.250 nan 0.000 0.469 1107 Q N -0.533 119.283 119.800 0.027 0.000 2.563 1107 Q HA 0.124 4.464 4.340 -0.001 0.000 0.367 1107 Q C -2.290 173.794 176.000 0.139 0.000 0.845 1107 Q CA -1.406 54.464 55.803 0.112 0.000 1.077 1107 Q CB 1.215 30.100 28.738 0.245 0.000 1.409 1107 Q HN -0.071 nan 8.270 nan 0.000 0.396 1108 P HA -0.262 nan 4.420 nan 0.000 0.216 1108 P C 0.573 177.883 177.300 0.017 0.000 1.157 1108 P CA 1.530 64.651 63.100 0.036 0.000 0.880 1108 P CB 0.260 31.958 31.700 -0.004 0.000 0.791 1109 Q N -2.423 117.325 119.800 -0.087 0.000 2.466 1109 Q HA -0.068 4.272 4.340 -0.001 0.000 0.210 1109 Q C 0.873 176.774 176.000 -0.165 0.000 0.961 1109 Q CA 1.252 56.955 55.803 -0.166 0.000 0.953 1109 Q CB -1.015 27.562 28.738 -0.268 0.000 1.011 1109 Q HN 0.453 nan 8.270 nan 0.000 0.516 1110 H N -1.565 117.524 119.070 0.032 0.000 3.440 1110 H HA 0.294 4.850 4.556 -0.001 0.000 0.259 1110 H C -0.691 174.427 175.328 -0.351 0.000 1.120 1110 H CA -0.092 55.886 56.048 -0.116 0.000 1.191 1110 H CB 0.731 30.502 29.762 0.014 0.000 1.537 1110 H HN 0.161 nan 8.280 nan 0.000 0.547 1111 Y N 0.361 120.733 120.300 0.120 0.000 2.323 1111 Y HA 0.481 5.031 4.550 -0.000 0.000 0.322 1111 Y C -0.282 175.652 175.900 0.056 0.000 1.133 1111 Y CA -0.811 57.345 58.100 0.093 0.000 1.093 1111 Y CB 1.482 39.984 38.460 0.070 0.000 1.203 1111 Y HN -0.241 nan 8.280 nan 0.000 0.427 1112 R N 2.895 123.497 120.500 0.171 0.000 2.621 1112 R HA 0.711 5.051 4.340 -0.001 0.000 0.292 1112 R C -1.179 175.192 176.300 0.119 0.000 0.969 1112 R CA -0.974 55.191 56.100 0.110 0.000 0.887 1112 R CB 2.260 32.591 30.300 0.051 0.000 1.180 1112 R HN 0.550 nan 8.270 nan 0.000 0.450 1113 L N 1.090 122.376 121.223 0.105 0.000 2.453 1113 L HA 0.302 4.642 4.340 -0.001 0.000 0.261 1113 L C -0.090 176.829 176.870 0.082 0.000 1.179 1113 L CA 0.090 54.998 54.840 0.114 0.000 0.813 1113 L CB 0.616 42.733 42.059 0.098 0.000 1.110 1113 L HN 0.642 nan 8.230 nan 0.000 0.466 1114 D N 1.343 121.796 120.400 0.088 0.000 2.328 1114 D HA 0.510 5.149 4.640 -0.001 0.000 0.243 1114 D C -0.237 176.103 176.300 0.066 0.000 1.324 1114 D CA 0.430 54.465 54.000 0.059 0.000 0.966 1114 D CB 0.779 41.602 40.800 0.039 0.000 1.324 1114 D HN 0.827 nan 8.370 nan 0.000 0.549 1115 G N 3.572 112.407 108.800 0.058 0.000 2.746 1115 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.685 1115 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.685 1115 G C -1.939 173.008 174.900 0.077 0.000 1.350 1115 G CA -0.553 44.582 45.100 0.059 0.000 0.837 1115 G HN 0.385 nan 8.290 nan 0.000 0.564 1116 P HA 0.099 nan 4.420 nan 0.000 0.237 1116 P C 1.540 178.905 177.300 0.109 0.000 1.178 1116 P CA 2.138 65.283 63.100 0.075 0.000 0.766 1116 P CB 0.167 31.900 31.700 0.055 0.000 0.876 1117 T N -5.345 109.289 114.554 0.135 0.000 2.964 1117 T HA 0.260 4.609 4.350 -0.001 0.000 0.250 1117 T C 0.906 175.771 174.700 0.276 0.000 0.982 1117 T CA -0.275 61.944 62.100 0.199 0.000 0.959 1117 T CB 0.231 69.184 68.868 0.142 0.000 1.141 1117 T HN -0.063 nan 8.240 nan 0.000 0.494 1118 R N 0.606 121.219 120.500 0.188 0.000 2.553 1118 R HA 0.755 5.094 4.340 -0.001 0.000 0.263 1118 R C -1.374 175.071 176.300 0.242 0.000 1.066 1118 R CA -0.875 55.321 56.100 0.160 0.000 1.135 1118 R CB 0.833 31.178 30.300 0.076 0.000 1.148 1118 R HN 0.213 nan 8.270 nan 0.000 0.558 1119 L N 0.736 122.094 121.223 0.226 0.000 2.611 1119 L HA 0.332 4.672 4.340 -0.001 0.000 0.263 1119 L C -1.103 175.901 176.870 0.223 0.000 0.969 1119 L CA -0.309 54.715 54.840 0.307 0.000 0.894 1119 L CB 1.418 43.815 42.059 0.563 0.000 1.229 1119 L HN 0.462 nan 8.230 nan 0.000 0.416 1120 K N 3.706 124.181 120.400 0.124 0.000 2.202 1120 K HA 0.669 4.988 4.320 -0.001 0.000 0.264 1120 K C -1.211 175.407 176.600 0.030 0.000 1.010 1120 K CA -0.317 55.959 56.287 -0.017 0.000 0.940 1120 K CB 0.676 33.142 32.500 -0.057 0.000 0.983 1120 K HN 0.552 nan 8.250 nan 0.000 0.475 1121 F N 2.581 122.443 119.950 -0.146 0.000 2.569 1121 F HA 0.533 5.060 4.527 -0.001 0.000 0.312 1121 F C -1.231 174.321 175.800 -0.413 0.000 1.109 1121 F CA -1.363 56.412 58.000 -0.374 0.000 0.919 1121 F CB 0.937 39.662 39.000 -0.459 0.000 1.211 1121 F HN 0.039 nan 8.300 nan 0.000 0.446 1122 I N 3.758 124.175 120.570 -0.254 0.000 2.382 1122 I HA 0.523 4.693 4.170 -0.001 0.000 0.285 1122 I C -0.795 175.151 176.117 -0.285 0.000 1.007 1122 I CA -0.624 60.543 61.300 -0.221 0.000 1.142 1122 I CB 1.013 38.952 38.000 -0.102 0.000 1.289 1122 I HN 0.751 nan 8.210 nan 0.000 0.453 1123 Q N 2.490 122.062 119.800 -0.380 0.000 2.511 1123 Q HA 0.230 4.570 4.340 -0.001 0.000 0.289 1123 Q C -1.193 174.608 176.000 -0.331 0.000 1.021 1123 Q CA -0.775 54.721 55.803 -0.513 0.000 0.785 1123 Q CB 2.917 31.032 28.738 -1.039 0.000 1.472 1123 Q HN 0.493 nan 8.270 nan 0.000 0.411 1124 D N 1.892 122.132 120.400 -0.266 0.000 2.545 1124 D HA 0.164 4.804 4.640 -0.001 0.000 0.227 1124 D C -0.522 175.691 176.300 -0.146 0.000 1.150 1124 D CA 0.219 54.125 54.000 -0.156 0.000 1.046 1124 D CB -0.429 40.312 40.800 -0.098 0.000 1.098 1124 D HN 0.269 nan 8.370 nan 0.000 0.502 1125 L N 2.404 123.543 121.223 -0.140 0.000 2.701 1125 L HA 0.186 4.526 4.340 -0.001 0.000 0.237 1125 L C 1.575 178.416 176.870 -0.047 0.000 1.204 1125 L CA -0.381 54.409 54.840 -0.083 0.000 1.109 1125 L CB 0.600 42.619 42.059 -0.067 0.000 1.409 1125 L HN 0.149 nan 8.230 nan 0.000 0.428 1126 S N 0.736 116.411 115.700 -0.041 0.000 2.406 1126 S HA -0.001 4.468 4.470 -0.001 0.000 0.224 1126 S C 1.012 175.604 174.600 -0.014 0.000 1.030 1126 S CA 1.101 59.284 58.200 -0.029 0.000 0.958 1126 S CB 0.168 63.352 63.200 -0.028 0.000 0.811 1126 S HN 0.686 nan 8.310 nan 0.000 0.489 1127 E N 0.744 120.940 120.200 -0.007 0.000 2.191 1127 E HA 0.488 4.838 4.350 -0.001 0.000 0.278 1127 E C 0.477 177.084 176.600 0.011 0.000 0.972 1127 E CA -0.634 55.767 56.400 0.002 0.000 0.804 1127 E CB 0.229 29.932 29.700 0.005 0.000 1.110 1127 E HN 0.451 nan 8.360 nan 0.000 0.394 1128 R N 0.903 121.410 120.500 0.011 0.000 2.133 1128 R HA -0.185 4.155 4.340 -0.001 0.000 0.247 1128 R C 2.805 179.122 176.300 0.027 0.000 1.151 1128 R CA 2.422 58.533 56.100 0.018 0.000 0.971 1128 R CB -0.349 29.957 30.300 0.011 0.000 0.866 1128 R HN 0.609 nan 8.270 nan 0.000 0.447 1129 K N 0.280 120.694 120.400 0.023 0.000 2.217 1129 K HA -0.062 4.257 4.320 -0.001 0.000 0.202 1129 K C 1.961 178.589 176.600 0.045 0.000 1.051 1129 K CA 1.742 58.046 56.287 0.028 0.000 0.952 1129 K CB -0.965 31.547 32.500 0.020 0.000 0.736 1129 K HN 0.388 nan 8.250 nan 0.000 0.453 1130 T N -0.358 114.223 114.554 0.046 0.000 2.732 1130 T HA -0.062 4.288 4.350 -0.001 0.000 0.261 1130 T C 2.088 176.851 174.700 0.104 0.000 1.040 1130 T CA 0.858 62.996 62.100 0.065 0.000 1.145 1130 T CB -0.219 68.671 68.868 0.037 0.000 0.866 1130 T HN 0.503 nan 8.240 nan 0.000 0.427 1131 R N 0.568 121.119 120.500 0.085 0.000 2.171 1131 R HA -0.145 4.195 4.340 -0.001 0.000 0.232 1131 R C 2.392 178.798 176.300 0.176 0.000 1.116 1131 R CA 1.853 58.026 56.100 0.123 0.000 0.901 1131 R CB -0.624 29.729 30.300 0.088 0.000 0.850 1131 R HN 0.208 nan 8.270 nan 0.000 0.431 1132 I N 1.417 122.060 120.570 0.122 0.000 2.113 1132 I HA -0.340 3.830 4.170 -0.001 0.000 0.242 1132 I C 2.385 178.568 176.117 0.111 0.000 1.057 1132 I CA 1.673 63.037 61.300 0.106 0.000 1.314 1132 I CB -1.165 36.873 38.000 0.064 0.000 1.022 1132 I HN 0.385 nan 8.210 nan 0.000 0.408 1133 E N -0.560 119.703 120.200 0.105 0.000 2.065 1133 E HA -0.302 4.048 4.350 -0.001 0.000 0.201 1133 E C 1.922 178.587 176.600 0.109 0.000 1.016 1133 E CA 1.789 58.244 56.400 0.092 0.000 0.818 1133 E CB -0.645 29.110 29.700 0.092 0.000 0.749 1133 E HN 0.668 nan 8.360 nan 0.000 0.453 1134 W N 1.196 122.499 121.300 0.004 0.000 2.355 1134 W HA -0.202 4.458 4.660 -0.001 0.000 0.309 1134 W C 2.221 178.746 176.519 0.010 0.000 1.206 1134 W CA 1.655 58.996 57.345 -0.007 0.000 1.284 1134 W CB -0.341 29.086 29.460 -0.054 0.000 1.145 1134 W HN -0.152 nan 8.180 nan 0.000 0.502 1135 V N 1.884 121.903 119.914 0.176 0.000 2.469 1135 V HA -0.322 3.798 4.120 -0.001 0.000 0.251 1135 V C 2.433 178.486 176.094 -0.068 0.000 1.064 1135 V CA 2.273 64.601 62.300 0.047 0.000 1.066 1135 V CB -0.890 31.042 31.823 0.181 0.000 0.667 1135 V HN 0.229 nan 8.190 nan 0.000 0.461 1136 R N -0.138 120.332 120.500 -0.049 0.000 2.057 1136 R HA -0.151 4.188 4.340 -0.001 0.000 0.229 1136 R C 2.357 178.577 176.300 -0.134 0.000 1.136 1136 R CA 1.383 57.443 56.100 -0.068 0.000 0.952 1136 R CB -0.622 29.658 30.300 -0.032 0.000 0.848 1136 R HN 0.415 nan 8.270 nan 0.000 0.430 1137 Q N 1.291 120.995 119.800 -0.159 0.000 2.062 1137 Q HA -0.202 4.138 4.340 -0.001 0.000 0.209 1137 Q C 1.774 177.626 176.000 -0.248 0.000 0.996 1137 Q CA 1.856 57.546 55.803 -0.188 0.000 0.859 1137 Q CB -0.662 27.960 28.738 -0.194 0.000 0.920 1137 Q HN 0.397 nan 8.270 nan 0.000 0.415 1138 F N -0.600 118.973 119.950 -0.628 0.000 2.126 1138 F HA -0.257 4.269 4.527 -0.001 0.000 0.299 1138 F C 1.844 177.488 175.800 -0.261 0.000 1.096 1138 F CA 1.365 59.017 58.000 -0.581 0.000 1.255 1138 F CB -0.043 38.311 39.000 -1.076 0.000 0.997 1138 F HN 0.138 nan 8.300 nan 0.000 0.479 1139 M N -0.140 119.239 119.600 -0.369 0.000 2.086 1139 M HA -0.188 4.292 4.480 -0.001 0.000 0.261 1139 M C 2.221 178.326 176.300 -0.325 0.000 1.067 1139 M CA 1.455 56.546 55.300 -0.348 0.000 1.116 1139 M CB -1.273 31.221 32.600 -0.177 0.000 1.348 1139 M HN 0.101 nan 8.290 nan 0.000 0.407 1140 R N 0.910 121.266 120.500 -0.240 0.000 2.132 1140 R HA -0.189 4.151 4.340 -0.001 0.000 0.233 1140 R C 1.994 178.141 176.300 -0.256 0.000 1.125 1140 R CA 2.372 58.352 56.100 -0.200 0.000 0.914 1140 R CB -0.967 29.248 30.300 -0.141 0.000 0.845 1140 R HN 0.452 nan 8.270 nan 0.000 0.431 1141 E N -0.683 119.372 120.200 -0.242 0.000 2.130 1141 E HA -0.228 4.122 4.350 -0.001 0.000 0.196 1141 E C 1.810 178.064 176.600 -0.576 0.000 0.998 1141 E CA 1.465 57.722 56.400 -0.238 0.000 0.806 1141 E CB -0.228 29.482 29.700 0.017 0.000 0.738 1141 E HN 0.230 nan 8.360 nan 0.000 0.459 1142 L N 1.712 122.505 121.223 -0.716 0.000 1.976 1142 L HA -0.215 4.125 4.340 -0.001 0.000 0.209 1142 L C 2.138 178.583 176.870 -0.709 0.000 1.071 1142 L CA 2.482 56.720 54.840 -1.002 0.000 0.746 1142 L CB -0.903 40.703 42.059 -0.754 0.000 0.890 1142 L HN 0.216 nan 8.230 nan 0.000 0.432 1143 E N -1.014 118.922 120.200 -0.441 0.000 2.150 1143 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 1143 E C 1.611 178.031 176.600 -0.299 0.000 0.985 1143 E CA 1.282 57.499 56.400 -0.304 0.000 0.814 1143 E CB -0.641 28.939 29.700 -0.201 0.000 0.752 1143 E HN 0.672 nan 8.360 nan 0.000 0.466 1144 E N 0.360 120.371 120.200 -0.315 0.000 2.472 1144 E HA -0.040 4.310 4.350 -0.001 0.000 0.200 1144 E C 1.084 177.513 176.600 -0.285 0.000 1.046 1144 E CA 0.310 56.560 56.400 -0.250 0.000 0.871 1144 E CB -0.025 29.553 29.700 -0.202 0.000 0.806 1144 E HN 0.361 nan 8.360 nan 0.000 0.533 1145 N N -0.127 118.315 118.700 -0.430 0.000 2.193 1145 N HA 0.102 4.842 4.740 -0.001 0.000 0.210 1145 N C 0.391 175.694 175.510 -0.347 0.000 1.215 1145 N CA 0.115 52.903 53.050 -0.437 0.000 0.901 1145 N CB 0.723 38.724 38.487 -0.809 0.000 1.060 1145 N HN -0.017 nan 8.380 nan 0.000 0.508 1146 A N 1.758 124.375 122.820 -0.338 0.000 2.582 1146 A HA 0.203 4.523 4.320 -0.001 0.000 0.248 1146 A C 0.662 178.147 177.584 -0.166 0.000 1.127 1146 A CA 0.512 52.416 52.037 -0.221 0.000 0.822 1146 A CB -0.101 18.792 19.000 -0.178 0.000 1.069 1146 A HN 0.338 nan 8.150 nan 0.000 0.522 1147 I N 0.000 120.489 120.570 -0.134 0.000 2.984 1147 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 1147 I CA 0.000 61.224 61.300 -0.127 0.000 1.566 1147 I CB 0.000 37.966 38.000 -0.057 0.000 1.214 1147 I HN 0.000 nan 8.210 nan 0.000 0.494