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 1ld4_1_O DATA FIRST_RESID 5001 DATA SEQUENCE YEHATTVPNV PQIPYKALVE RAGYAPLNLE ITVMSSEVLP STNQEYITCK DATA SEQUENCE FTTVVPSPKI KCcGSLECQP AAHADYTCKV FGGVYPFMWG GAQCFcDSEN DATA SEQUENCE SQMSEAYVEL SADCASDHAQ AIKVHTAAMK VGLRIVYGNT TSFLDVYVNG DATA SEQUENCE VTPGTSKDLK VIAGPISASF TPFDHKVVIH RGLVYNYDFP EYGAMKPGAF DATA SEQUENCE GDIQATSLTS KDLIASTDIR LLKPSAKNVH VPYTQASSGF EMWKNNSGRP DATA SEQUENCE LQETAPFGcK IAVNPLRAVD cSYGNIPISI DIPNAAFIRT SDAPLVSTVK DATA SEQUENCE CEVSECTYSX XXXXMATLQY VSDREGQCPV HSHSSTATLQ ESTVHXXXXX DATA SEQUENCE XVTVHFSTAS PQANFIVSLC GKKTTCNAEC 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 5001 Y HA 0.000 nan 4.550 nan 0.000 0.201 5001 Y C 0.000 nan 175.900 nan 0.000 1.272 5001 Y CA 0.000 58.141 58.100 0.069 0.000 1.940 5001 Y CB 0.000 nan 38.460 nan 0.000 1.050 5002 E N 1.668 121.640 120.200 -0.381 0.000 0.000 5002 E HA 0.547 4.897 4.350 0.000 0.000 0.000 5002 E C -1.724 174.628 176.600 -0.413 0.000 0.000 5002 E CA -0.025 56.203 56.400 -0.286 0.000 0.000 5002 E CB -0.199 nan 29.700 nan 0.000 0.000 5002 E HN 1.322 nan 8.360 nan 0.000 0.000 5003 H N -0.367 118.713 119.070 0.017 0.000 2.855 5003 H HA 0.967 5.523 4.556 0.000 0.000 0.363 5003 H C -0.331 175.004 175.328 0.012 0.000 1.185 5003 H CA -0.625 55.435 56.048 0.020 0.000 1.174 5003 H CB 2.249 32.029 29.762 0.030 0.000 1.857 5003 H HN 1.298 nan 8.280 nan 0.000 0.565 5004 A N 1.332 124.249 122.820 0.161 0.000 2.498 5004 A HA 0.431 4.751 4.320 0.000 0.000 0.305 5004 A C -1.016 176.600 177.584 0.054 0.000 1.031 5004 A CA -0.525 51.560 52.037 0.080 0.000 0.998 5004 A CB 0.583 19.612 19.000 0.048 0.000 1.429 5004 A HN 0.525 nan 8.150 nan 0.000 0.387 5005 T N 1.925 116.498 114.554 0.032 0.000 2.876 5005 T HA 0.626 4.976 4.350 0.000 0.000 0.289 5005 T C 0.138 174.823 174.700 -0.025 0.000 1.014 5005 T CA -0.310 61.793 62.100 0.004 0.000 0.986 5005 T CB 1.589 70.455 68.868 -0.004 0.000 1.021 5005 T HN 0.624 nan 8.240 nan 0.000 0.458 5006 T N 2.502 117.034 114.554 -0.037 0.000 2.870 5006 T HA 0.434 4.784 4.350 0.000 0.000 0.300 5006 T C -0.226 174.396 174.700 -0.130 0.000 0.989 5006 T CA -0.338 61.724 62.100 -0.064 0.000 1.139 5006 T CB 0.306 69.147 68.868 -0.044 0.000 0.920 5006 T HN 0.349 nan 8.240 nan 0.000 0.537 5007 V N 7.182 126.981 119.914 -0.191 0.000 2.488 5007 V HA 0.331 4.451 4.120 0.000 0.000 0.293 5007 V C -1.984 173.883 176.094 -0.379 0.000 1.027 5007 V CA -1.891 60.164 62.300 -0.408 0.000 0.862 5007 V CB 1.717 33.281 31.823 -0.431 0.000 1.008 5007 V HN 0.709 nan 8.190 nan 0.000 0.428 5008 P HA 0.137 nan 4.420 nan 0.000 0.280 5008 P C -0.689 176.558 177.300 -0.089 0.000 1.278 5008 P CA -0.309 62.699 63.100 -0.155 0.000 0.787 5008 P CB 0.833 32.515 31.700 -0.030 0.000 1.163 5009 N N -0.678 118.031 118.700 0.015 0.000 3.112 5009 N HA 0.331 5.071 4.740 0.000 0.000 0.270 5009 N C -1.234 174.311 175.510 0.058 0.000 1.385 5009 N CA -0.200 52.876 53.050 0.044 0.000 0.986 5009 N CB 0.061 38.571 38.487 0.040 0.000 1.261 5009 N HN 0.056 nan 8.380 nan 0.000 0.495 5010 V N 2.336 122.337 119.914 0.145 0.000 2.509 5010 V HA 0.388 4.508 4.120 0.000 0.000 0.289 5010 V C -2.141 173.993 176.094 0.068 0.000 1.026 5010 V CA -1.537 60.816 62.300 0.088 0.000 0.872 5010 V CB 2.362 34.236 31.823 0.086 0.000 1.017 5010 V HN 0.270 nan 8.190 nan 0.000 0.436 5011 P HA 0.083 nan 4.420 nan 0.000 0.270 5011 P C 0.156 177.419 177.300 -0.061 0.000 1.227 5011 P CA 0.320 63.410 63.100 -0.017 0.000 0.788 5011 P CB 0.572 32.255 31.700 -0.028 0.000 0.926 5012 Q N -1.786 117.964 119.800 -0.083 0.000 2.406 5012 Q HA -0.182 4.158 4.340 0.000 0.000 0.236 5012 Q C -0.208 175.699 176.000 -0.155 0.000 0.799 5012 Q CA 0.795 56.536 55.803 -0.104 0.000 1.286 5012 Q CB -1.536 27.155 28.738 -0.079 0.000 1.615 5012 Q HN 0.535 nan 8.270 nan 0.000 0.621 5013 I N 2.396 122.820 120.570 -0.245 0.000 2.354 5013 I HA 0.275 4.445 4.170 0.000 0.000 0.286 5013 I C -1.980 173.740 176.117 -0.661 0.000 1.007 5013 I CA -2.113 58.943 61.300 -0.406 0.000 1.167 5013 I CB 1.333 39.069 38.000 -0.439 0.000 1.320 5013 I HN -0.192 nan 8.210 nan 0.000 0.458 5014 P HA 0.081 nan 4.420 nan 0.000 0.271 5014 P C -1.406 175.665 177.300 -0.382 0.000 1.226 5014 P CA 0.236 63.142 63.100 -0.323 0.000 0.765 5014 P CB 0.283 31.884 31.700 -0.165 0.000 0.835 5015 Y N 2.279 122.559 120.300 -0.033 0.000 2.342 5015 Y HA 0.391 4.941 4.550 0.000 0.000 0.334 5015 Y C 1.124 176.998 175.900 -0.043 0.000 1.067 5015 Y CA -0.431 57.647 58.100 -0.036 0.000 1.128 5015 Y CB 2.062 40.503 38.460 -0.032 0.000 1.200 5015 Y HN 0.135 nan 8.280 nan 0.000 0.464 5016 K N 2.766 123.228 120.400 0.105 0.000 2.579 5016 K HA 0.743 5.063 4.320 0.000 0.000 0.250 5016 K C -1.032 175.519 176.600 -0.081 0.000 0.952 5016 K CA -0.632 55.647 56.287 -0.013 0.000 0.857 5016 K CB 1.900 34.383 32.500 -0.029 0.000 1.123 5016 K HN 0.707 nan 8.250 nan 0.000 0.433 5017 A N 3.655 126.415 122.820 -0.100 0.000 2.313 5017 A HA 0.829 5.149 4.320 0.000 0.000 0.323 5017 A C -0.945 176.531 177.584 -0.181 0.000 1.133 5017 A CA -0.770 51.205 52.037 -0.104 0.000 0.847 5017 A CB 0.850 19.824 19.000 -0.043 0.000 1.308 5017 A HN 0.652 nan 8.150 nan 0.000 0.475 5018 L N 0.684 121.824 121.223 -0.138 0.000 2.386 5018 L HA 0.463 4.803 4.340 0.000 0.000 0.271 5018 L C -1.043 175.783 176.870 -0.073 0.000 0.993 5018 L CA -0.978 53.785 54.840 -0.129 0.000 0.819 5018 L CB 2.195 44.181 42.059 -0.122 0.000 1.294 5018 L HN 0.421 nan 8.230 nan 0.000 0.414 5019 V N 2.130 122.012 119.914 -0.055 0.000 2.385 5019 V HA 0.165 4.285 4.120 0.000 0.000 0.269 5019 V C 0.286 176.414 176.094 0.056 0.000 1.043 5019 V CA -0.373 61.900 62.300 -0.044 0.000 0.906 5019 V CB 1.022 32.839 31.823 -0.010 0.000 0.995 5019 V HN 0.724 nan 8.190 nan 0.000 0.467 5020 E N 5.239 125.481 120.200 0.070 0.000 2.427 5020 E HA 0.268 4.618 4.350 0.000 0.000 0.259 5020 E C 0.077 176.730 176.600 0.089 0.000 1.267 5020 E CA -0.283 56.167 56.400 0.084 0.000 1.425 5020 E CB 0.537 30.280 29.700 0.071 0.000 1.482 5020 E HN 0.553 nan 8.360 nan 0.000 0.460 5021 R N 0.537 121.094 120.500 0.096 0.000 2.543 5021 R HA 0.513 4.853 4.340 0.000 0.000 0.268 5021 R C -0.162 176.168 176.300 0.051 0.000 1.067 5021 R CA -0.436 55.700 56.100 0.060 0.000 1.142 5021 R CB 1.183 31.480 30.300 -0.006 0.000 1.110 5021 R HN 0.158 nan 8.270 nan 0.000 0.549 5022 A N 0.900 123.740 122.820 0.034 0.000 2.260 5022 A HA 0.564 4.884 4.320 0.000 0.000 0.308 5022 A C 0.698 178.304 177.584 0.037 0.000 1.254 5022 A CA 0.466 52.520 52.037 0.029 0.000 0.874 5022 A CB 0.617 19.625 19.000 0.015 0.000 1.153 5022 A HN 0.862 nan 8.150 nan 0.000 0.527 5023 G N 1.709 110.518 108.800 0.015 0.000 4.013 5023 G HA2 -0.204 3.756 3.960 0.000 0.000 0.255 5023 G HA3 -0.204 3.756 3.960 0.000 0.000 0.255 5023 G C 0.135 175.002 174.900 -0.055 0.000 1.765 5023 G CA -0.020 45.050 45.100 -0.050 0.000 1.396 5023 G HN 0.809 nan 8.290 nan 0.000 0.605 5024 Y N 2.356 122.626 120.300 -0.050 0.000 2.607 5024 Y HA 0.402 4.952 4.550 0.000 0.000 0.348 5024 Y C 1.390 177.320 175.900 0.049 0.000 1.261 5024 Y CA 0.484 58.578 58.100 -0.011 0.000 1.480 5024 Y CB 0.348 38.761 38.460 -0.078 0.000 1.358 5024 Y HN 0.841 nan 8.280 nan 0.000 0.630 5025 A N 4.870 127.847 122.820 0.260 0.000 2.488 5025 A HA 0.211 4.531 4.320 0.000 0.000 0.249 5025 A C -2.198 175.538 177.584 0.253 0.000 1.083 5025 A CA -1.430 50.730 52.037 0.205 0.000 0.768 5025 A CB -0.742 18.362 19.000 0.173 0.000 1.017 5025 A HN 0.509 nan 8.150 nan 0.000 0.496 5026 P HA 0.099 nan 4.420 nan 0.000 0.264 5026 P C -0.271 177.135 177.300 0.177 0.000 1.229 5026 P CA 0.366 63.579 63.100 0.190 0.000 0.780 5026 P CB 0.266 32.059 31.700 0.155 0.000 0.808 5027 L N 3.692 125.018 121.223 0.172 0.000 2.472 5027 L HA 0.138 4.478 4.340 0.000 0.000 0.260 5027 L C 1.129 178.053 176.870 0.090 0.000 1.209 5027 L CA -0.155 54.739 54.840 0.090 0.000 0.817 5027 L CB 0.011 42.025 42.059 -0.076 0.000 1.106 5027 L HN 0.340 nan 8.230 nan 0.000 0.479 5028 N N 1.620 120.404 118.700 0.141 0.000 2.443 5028 N HA 0.533 5.273 4.740 0.000 0.000 0.295 5028 N C -1.025 174.601 175.510 0.193 0.000 1.076 5028 N CA -0.356 52.812 53.050 0.197 0.000 0.919 5028 N CB 1.452 40.128 38.487 0.315 0.000 1.176 5028 N HN 0.349 nan 8.380 nan 0.000 0.487 5029 L N 0.974 122.266 121.223 0.114 0.000 2.462 5029 L HA 0.394 4.734 4.340 0.000 0.000 0.255 5029 L C -0.123 176.754 176.870 0.012 0.000 1.076 5029 L CA -0.454 54.479 54.840 0.155 0.000 0.920 5029 L CB 0.988 43.152 42.059 0.175 0.000 1.214 5029 L HN 0.283 nan 8.230 nan 0.000 0.472 5030 E N 4.070 124.224 120.200 -0.076 0.000 2.174 5030 E HA 0.627 4.977 4.350 0.000 0.000 0.282 5030 E C -0.841 175.690 176.600 -0.115 0.000 0.992 5030 E CA -0.449 55.917 56.400 -0.056 0.000 0.803 5030 E CB 2.606 32.286 29.700 -0.033 0.000 1.090 5030 E HN 0.452 nan 8.360 nan 0.000 0.396 5031 I N 2.029 122.603 120.570 0.007 0.000 2.571 5031 I HA 0.240 4.410 4.170 0.000 0.000 0.289 5031 I C -0.497 175.713 176.117 0.156 0.000 1.115 5031 I CA -0.526 60.804 61.300 0.050 0.000 1.045 5031 I CB 2.395 40.436 38.000 0.069 0.000 1.238 5031 I HN 0.286 nan 8.210 nan 0.000 0.424 5032 T N 4.698 119.308 114.554 0.093 0.000 2.887 5032 T HA 0.483 4.833 4.350 0.000 0.000 0.288 5032 T C -0.391 174.354 174.700 0.075 0.000 1.021 5032 T CA -0.556 61.577 62.100 0.055 0.000 1.000 5032 T CB 2.503 71.356 68.868 -0.024 0.000 1.034 5032 T HN 0.168 nan 8.240 nan 0.000 0.467 5033 V N 4.466 124.427 119.914 0.078 0.000 2.364 5033 V HA 0.244 4.364 4.120 0.000 0.000 0.272 5033 V C 0.977 177.065 176.094 -0.009 0.000 1.036 5033 V CA -0.257 62.081 62.300 0.063 0.000 0.880 5033 V CB 0.758 32.648 31.823 0.112 0.000 0.991 5033 V HN 0.908 nan 8.190 nan 0.000 0.460 5034 M N 2.457 122.038 119.600 -0.032 0.000 2.142 5034 M HA 0.101 4.581 4.480 0.000 0.000 0.256 5034 M C 0.282 176.549 176.300 -0.055 0.000 1.098 5034 M CA 1.160 56.417 55.300 -0.072 0.000 1.151 5034 M CB 0.103 32.638 32.600 -0.109 0.000 1.299 5034 M HN 0.690 nan 8.290 nan 0.000 0.431 5035 S N -0.165 115.509 115.700 -0.043 0.000 2.626 5035 S HA 0.419 4.889 4.470 0.000 0.000 0.275 5035 S C -0.824 173.761 174.600 -0.025 0.000 1.175 5035 S CA -1.090 57.088 58.200 -0.037 0.000 0.982 5035 S CB 1.709 64.882 63.200 -0.044 0.000 1.093 5035 S HN 0.150 nan 8.310 nan 0.000 0.472 5036 S N 2.302 117.992 115.700 -0.017 0.000 2.584 5036 S HA 0.488 4.958 4.470 0.000 0.000 0.273 5036 S C -0.266 174.337 174.600 0.004 0.000 1.311 5036 S CA -0.755 57.444 58.200 -0.001 0.000 1.034 5036 S CB 0.545 63.747 63.200 0.004 0.000 0.939 5036 S HN 0.739 nan 8.310 nan 0.000 0.513 5037 E N 1.254 121.462 120.200 0.014 0.000 2.302 5037 E HA 0.319 4.669 4.350 0.000 0.000 0.263 5037 E C -1.657 174.970 176.600 0.045 0.000 0.897 5037 E CA -0.390 56.023 56.400 0.021 0.000 0.809 5037 E CB 1.885 31.578 29.700 -0.012 0.000 1.270 5037 E HN 0.279 nan 8.360 nan 0.000 0.410 5038 V N 4.833 124.803 119.914 0.094 0.000 2.313 5038 V HA 0.336 4.456 4.120 0.000 0.000 0.278 5038 V C -0.303 175.866 176.094 0.125 0.000 1.017 5038 V CA -0.539 61.832 62.300 0.119 0.000 0.823 5038 V CB 1.212 33.146 31.823 0.184 0.000 1.010 5038 V HN 0.571 nan 8.190 nan 0.000 0.443 5039 L N 8.727 129.990 121.223 0.066 0.000 2.319 5039 L HA 0.628 4.968 4.340 0.000 0.000 0.281 5039 L C -2.105 174.777 176.870 0.021 0.000 1.005 5039 L CA -1.692 53.165 54.840 0.029 0.000 0.828 5039 L CB 2.706 44.763 42.059 -0.003 0.000 1.227 5039 L HN 0.428 nan 8.230 nan 0.000 0.415 5040 P HA 0.114 nan 4.420 nan 0.000 0.276 5040 P C -0.785 176.505 177.300 -0.016 0.000 1.261 5040 P CA -0.515 62.586 63.100 0.001 0.000 0.800 5040 P CB 0.878 32.570 31.700 -0.014 0.000 1.066 5041 S N -0.793 114.912 115.700 0.008 0.000 2.670 5041 S HA 0.111 4.581 4.470 0.000 0.000 0.328 5041 S C 0.242 174.838 174.600 -0.007 0.000 1.179 5041 S CA -0.334 57.873 58.200 0.011 0.000 1.194 5041 S CB -1.540 61.681 63.200 0.034 0.000 1.359 5041 S HN 0.339 nan 8.310 nan 0.000 0.555 5042 T N 4.431 118.965 114.554 -0.033 0.000 2.779 5042 T HA 0.218 4.568 4.350 0.000 0.000 0.296 5042 T C 0.036 174.719 174.700 -0.027 0.000 0.938 5042 T CA -0.290 61.779 62.100 -0.052 0.000 1.119 5042 T CB -0.045 68.781 68.868 -0.071 0.000 0.891 5042 T HN 0.575 nan 8.240 nan 0.000 0.526 5043 N N 3.621 122.308 118.700 -0.022 0.000 2.682 5043 N HA 0.149 4.889 4.740 0.000 0.000 0.252 5043 N C -0.575 174.929 175.510 -0.010 0.000 1.081 5043 N CA -0.499 52.545 53.050 -0.011 0.000 0.844 5043 N CB 1.160 39.648 38.487 0.001 0.000 1.167 5043 N HN 0.581 nan 8.380 nan 0.000 0.523 5044 Q N 0.872 120.668 119.800 -0.007 0.000 2.274 5044 Q HA 0.063 4.403 4.340 0.000 0.000 0.280 5044 Q C 0.474 176.499 176.000 0.042 0.000 1.047 5044 Q CA 0.726 56.534 55.803 0.009 0.000 0.907 5044 Q CB 1.319 30.059 28.738 0.004 0.000 1.171 5044 Q HN 0.517 nan 8.270 nan 0.000 0.381 5045 E N 1.610 121.864 120.200 0.090 0.000 2.502 5045 E HA 0.125 4.475 4.350 0.000 0.000 0.206 5045 E C -0.418 176.373 176.600 0.319 0.000 0.821 5045 E CA 0.133 56.622 56.400 0.149 0.000 1.354 5045 E CB 0.932 30.694 29.700 0.103 0.000 1.336 5045 E HN 0.521 nan 8.360 nan 0.000 0.675 5046 Y N -0.054 120.311 120.300 0.109 0.000 2.615 5046 Y HA 0.573 5.123 4.550 0.000 0.000 0.341 5046 Y C -0.768 175.099 175.900 -0.054 0.000 1.089 5046 Y CA -1.200 56.903 58.100 0.004 0.000 1.049 5046 Y CB 2.294 40.681 38.460 -0.123 0.000 1.296 5046 Y HN -0.198 nan 8.280 nan 0.000 0.470 5047 I N 1.020 121.605 120.570 0.025 0.000 2.913 5047 I HA 0.449 4.619 4.170 0.000 0.000 0.302 5047 I C -1.047 174.989 176.117 -0.135 0.000 1.246 5047 I CA -0.623 60.599 61.300 -0.129 0.000 1.010 5047 I CB 2.909 40.728 38.000 -0.301 0.000 1.259 5047 I HN 0.631 nan 8.210 nan 0.000 0.434 5048 T N -0.185 114.281 114.554 -0.148 0.000 2.787 5048 T HA 0.821 5.171 4.350 0.000 0.000 0.297 5048 T C -0.758 173.762 174.700 -0.300 0.000 1.221 5048 T CA -0.649 61.372 62.100 -0.131 0.000 1.006 5048 T CB 2.167 71.015 68.868 -0.033 0.000 1.328 5048 T HN 0.796 nan 8.240 nan 0.000 0.509 5049 C N -0.631 118.247 119.300 -0.704 0.000 3.184 5049 C HA 0.372 4.832 4.460 0.000 0.000 0.319 5049 C C -0.894 173.491 174.990 -1.008 0.000 1.378 5049 C CA -1.062 57.476 59.018 -0.800 0.000 1.168 5049 C CB 0.656 28.195 27.740 -0.333 0.000 1.496 5049 C HN 1.190 nan 8.230 nan 0.000 0.416 5050 K N -0.016 120.012 120.400 -0.621 0.000 2.187 5050 K HA 0.594 4.914 4.320 0.000 0.000 0.247 5050 K C -1.118 175.002 176.600 -0.801 0.000 1.019 5050 K CA 0.638 56.612 56.287 -0.523 0.000 0.893 5050 K CB 0.264 32.649 32.500 -0.191 0.000 1.025 5050 K HN 0.448 nan 8.250 nan 0.000 0.500 5051 F N -1.356 118.658 119.950 0.107 0.000 2.754 5051 F HA 0.357 4.884 4.527 0.000 0.000 0.320 5051 F C -0.363 175.469 175.800 0.053 0.000 1.156 5051 F CA -1.085 56.961 58.000 0.077 0.000 0.950 5051 F CB 2.378 41.432 39.000 0.091 0.000 1.388 5051 F HN 0.216 nan 8.300 nan 0.000 0.485 5052 T N 0.181 114.896 114.554 0.267 0.000 3.011 5052 T HA 0.305 4.655 4.350 0.000 0.000 0.303 5052 T C -0.898 173.870 174.700 0.113 0.000 0.997 5052 T CA -0.749 61.438 62.100 0.145 0.000 1.007 5052 T CB 1.436 70.362 68.868 0.097 0.000 1.017 5052 T HN 0.496 nan 8.240 nan 0.000 0.443 5053 T N 2.647 117.256 114.554 0.092 0.000 2.853 5053 T HA 0.220 4.571 4.350 0.000 0.000 0.298 5053 T C 0.593 175.321 174.700 0.046 0.000 0.978 5053 T CA -0.273 61.866 62.100 0.066 0.000 1.152 5053 T CB 0.292 69.203 68.868 0.072 0.000 0.914 5053 T HN 0.374 nan 8.240 nan 0.000 0.539 5054 V N 4.995 124.924 119.914 0.026 0.000 2.180 5054 V HA 0.159 4.279 4.120 0.000 0.000 0.265 5054 V C 0.254 176.324 176.094 -0.039 0.000 1.214 5054 V CA -0.682 61.620 62.300 0.003 0.000 1.130 5054 V CB 0.241 32.068 31.823 0.007 0.000 1.266 5054 V HN 0.729 nan 8.190 nan 0.000 0.473 5055 V N 6.520 126.428 119.914 -0.010 0.000 2.427 5055 V HA 0.253 4.373 4.120 0.000 0.000 0.268 5055 V C -0.790 175.284 176.094 -0.033 0.000 1.046 5055 V CA -0.922 61.371 62.300 -0.011 0.000 0.970 5055 V CB 0.845 32.707 31.823 0.065 0.000 1.001 5055 V HN 0.643 nan 8.190 nan 0.000 0.476 5056 P HA 0.282 nan 4.420 nan 0.000 0.289 5056 P C -0.432 176.855 177.300 -0.022 0.000 1.299 5056 P CA -0.481 62.586 63.100 -0.055 0.000 0.766 5056 P CB 0.667 32.311 31.700 -0.093 0.000 1.226 5057 S N -0.142 115.551 115.700 -0.013 0.000 2.499 5057 S HA 0.421 4.891 4.470 0.000 0.000 0.279 5057 S C -1.953 172.651 174.600 0.006 0.000 1.219 5057 S CA -1.151 57.048 58.200 -0.002 0.000 1.062 5057 S CB -0.007 63.191 63.200 -0.003 0.000 0.978 5057 S HN 0.349 nan 8.310 nan 0.000 0.489 5058 P HA 0.198 nan 4.420 nan 0.000 0.269 5058 P C -0.875 176.441 177.300 0.028 0.000 1.209 5058 P CA -0.424 62.698 63.100 0.037 0.000 0.776 5058 P CB 0.517 32.257 31.700 0.067 0.000 0.876 5059 K N 2.720 123.140 120.400 0.033 0.000 3.129 5059 K HA 0.317 4.637 4.320 0.000 0.000 0.224 5059 K C 0.377 176.998 176.600 0.035 0.000 1.249 5059 K CA -0.448 55.855 56.287 0.026 0.000 1.177 5059 K CB -0.218 32.296 32.500 0.024 0.000 1.393 5059 K HN 0.451 nan 8.250 nan 0.000 0.459 5060 I N 1.689 122.284 120.570 0.041 0.000 2.845 5060 I HA -0.158 4.012 4.170 0.000 0.000 0.296 5060 I C 0.800 176.937 176.117 0.033 0.000 1.216 5060 I CA 0.888 62.220 61.300 0.054 0.000 1.438 5060 I CB 0.153 38.177 38.000 0.039 0.000 1.342 5060 I HN 0.297 nan 8.210 nan 0.000 0.577 5061 K N 4.072 124.501 120.400 0.049 0.000 1.754 5061 K HA 0.614 4.934 4.320 0.000 0.000 0.264 5061 K C -0.452 176.183 176.600 0.058 0.000 0.932 5061 K CA -0.680 55.633 56.287 0.045 0.000 0.833 5061 K CB 0.818 33.343 32.500 0.042 0.000 2.355 5061 K HN 0.582 nan 8.250 nan 0.000 0.873 5062 C N -0.392 118.947 119.300 0.065 0.000 3.389 5062 C HA 0.211 4.671 4.460 0.000 0.000 0.133 5062 C C 1.734 176.763 174.990 0.066 0.000 2.714 5062 C CA -0.531 58.536 59.018 0.081 0.000 1.946 5062 C CB 0.186 27.992 27.740 0.109 0.000 3.241 5062 C HN 0.838 nan 8.230 nan 0.000 0.403 5063 c N 2.288 120.926 118.600 0.064 0.000 2.511 5063 c HA 0.331 4.901 4.570 0.000 0.000 0.300 5063 c C 1.272 175.384 174.090 0.036 0.000 1.393 5063 c CA -0.213 56.145 56.329 0.047 0.000 1.637 5063 c CB -2.388 40.150 42.510 0.047 0.000 1.637 5063 c HN 0.823 nan 8.230 nan 0.000 0.595 5064 G N 0.964 109.785 108.800 0.037 0.000 2.448 5064 G HA2 0.459 4.419 3.960 0.000 0.000 0.285 5064 G HA3 0.459 4.419 3.960 0.000 0.000 0.285 5064 G C 0.042 174.957 174.900 0.025 0.000 1.176 5064 G CA -0.049 45.068 45.100 0.028 0.000 0.852 5064 G HN 0.517 nan 8.290 nan 0.000 0.530 5065 S N 0.186 115.897 115.700 0.019 0.000 2.601 5065 S HA 0.715 5.185 4.470 0.000 0.000 0.271 5065 S C -0.296 174.312 174.600 0.013 0.000 1.305 5065 S CA -0.574 57.635 58.200 0.015 0.000 1.022 5065 S CB 1.199 64.405 63.200 0.011 0.000 0.940 5065 S HN 0.501 nan 8.310 nan 0.000 0.525 5066 L N 0.844 122.072 121.223 0.008 0.000 2.505 5066 L HA 0.562 4.902 4.340 0.000 0.000 0.259 5066 L C -0.844 176.021 176.870 -0.008 0.000 0.952 5066 L CA -0.356 54.486 54.840 0.003 0.000 0.840 5066 L CB 2.433 44.495 42.059 0.005 0.000 1.358 5066 L HN 0.792 nan 8.230 nan 0.000 0.409 5067 E N 1.633 121.828 120.200 -0.008 0.000 2.294 5067 E HA 0.283 4.633 4.350 0.000 0.000 0.272 5067 E C -1.430 175.165 176.600 -0.009 0.000 0.896 5067 E CA -0.602 55.789 56.400 -0.015 0.000 0.802 5067 E CB 2.102 31.794 29.700 -0.012 0.000 1.267 5067 E HN 0.491 nan 8.360 nan 0.000 0.406 5068 C N 2.493 121.785 119.300 -0.013 0.000 2.652 5068 C HA 0.149 4.609 4.460 0.000 0.000 0.412 5068 C C 0.373 175.367 174.990 0.007 0.000 1.294 5068 C CA -0.338 58.686 59.018 0.010 0.000 2.127 5068 C CB -0.164 27.586 27.740 0.017 0.000 2.691 5068 C HN 0.630 nan 8.230 nan 0.000 0.615 5069 Q N 2.690 122.504 119.800 0.023 0.000 2.331 5069 Q HA 0.450 4.790 4.340 0.000 0.000 0.267 5069 Q C -2.121 173.861 176.000 -0.031 0.000 1.006 5069 Q CA -1.068 54.729 55.803 -0.011 0.000 0.818 5069 Q CB 1.606 30.341 28.738 -0.005 0.000 1.276 5069 Q HN 0.631 nan 8.270 nan 0.000 0.450 5070 P HA 0.406 nan 4.420 nan 0.000 0.276 5070 P C -1.054 176.030 177.300 -0.361 0.000 1.244 5070 P CA -0.084 62.746 63.100 -0.451 0.000 0.801 5070 P CB 1.517 32.884 31.700 -0.556 0.000 1.006 5071 A N 0.817 123.348 122.820 -0.482 0.000 3.389 5071 A HA 0.756 5.076 4.320 0.000 0.000 0.179 5071 A C -0.766 176.714 177.584 -0.173 0.000 0.848 5071 A CA 0.171 52.095 52.037 -0.189 0.000 1.090 5071 A CB -0.053 18.922 19.000 -0.040 0.000 1.808 5071 A HN 0.589 nan 8.150 nan 0.000 0.715 5072 A N 0.343 123.059 122.820 -0.172 0.000 2.943 5072 A HA 0.683 5.003 4.320 0.000 0.000 0.327 5072 A C -0.752 176.641 177.584 -0.319 0.000 1.141 5072 A CA -0.380 51.570 52.037 -0.146 0.000 0.773 5072 A CB -0.085 18.824 19.000 -0.151 0.000 1.143 5072 A HN 0.646 nan 8.150 nan 0.000 0.463 5073 H N 0.238 119.362 119.070 0.089 0.000 3.220 5073 H HA 0.775 5.331 4.556 0.000 0.000 0.299 5073 H C -0.055 175.101 175.328 -0.287 0.000 1.604 5073 H CA -0.239 55.644 56.048 -0.275 0.000 1.260 5073 H CB 1.813 31.072 29.762 -0.838 0.000 1.846 5073 H HN 0.635 nan 8.280 nan 0.000 0.632 5074 A N 1.017 123.706 122.820 -0.219 0.000 2.276 5074 A HA 0.511 4.831 4.320 0.000 0.000 0.316 5074 A C -0.870 176.553 177.584 -0.267 0.000 1.229 5074 A CA -0.283 51.641 52.037 -0.189 0.000 0.851 5074 A CB -0.177 18.729 19.000 -0.156 0.000 1.165 5074 A HN 0.701 nan 8.150 nan 0.000 0.513 5075 D N -0.742 119.564 120.400 -0.157 0.000 10.695 5075 D HA -0.190 4.450 4.640 0.000 0.000 0.330 5075 D C -1.222 174.993 176.300 -0.141 0.000 3.085 5075 D CA 1.666 55.612 54.000 -0.090 0.000 2.708 5075 D CB -0.696 40.064 40.800 -0.066 0.000 1.181 5075 D HN 0.615 nan 8.370 nan 0.000 0.923 5076 Y N 0.350 120.674 120.300 0.040 0.000 2.379 5076 Y HA 0.377 4.927 4.550 0.000 0.000 0.342 5076 Y C -0.288 175.643 175.900 0.051 0.000 1.126 5076 Y CA -0.388 57.758 58.100 0.077 0.000 1.310 5076 Y CB 1.931 40.402 38.460 0.018 0.000 1.115 5076 Y HN 0.193 nan 8.280 nan 0.000 0.505 5077 T N 2.929 117.611 114.554 0.215 0.000 3.089 5077 T HA 0.344 4.694 4.350 0.000 0.000 0.340 5077 T C -1.107 173.619 174.700 0.043 0.000 1.008 5077 T CA -0.303 61.851 62.100 0.090 0.000 1.096 5077 T CB -0.036 68.839 68.868 0.011 0.000 1.024 5077 T HN 0.456 nan 8.240 nan 0.000 0.477 5078 C N 3.774 123.108 119.300 0.056 0.000 2.379 5078 C HA 0.703 5.163 4.460 0.000 0.000 0.323 5078 C C -0.028 174.903 174.990 -0.098 0.000 1.262 5078 C CA -1.167 57.843 59.018 -0.014 0.000 1.581 5078 C CB 0.641 28.413 27.740 0.053 0.000 2.221 5078 C HN 0.736 nan 8.230 nan 0.000 0.497 5079 K N 2.099 122.348 120.400 -0.251 0.000 2.507 5079 K HA 0.511 4.831 4.320 0.000 0.000 0.251 5079 K C -1.270 174.882 176.600 -0.746 0.000 0.943 5079 K CA -0.527 55.528 56.287 -0.387 0.000 0.794 5079 K CB 2.121 34.450 32.500 -0.286 0.000 1.188 5079 K HN 0.432 nan 8.250 nan 0.000 0.428 5080 V N 4.500 124.160 119.914 -0.423 0.000 2.439 5080 V HA 0.189 4.309 4.120 0.000 0.000 0.271 5080 V C -0.285 175.646 176.094 -0.271 0.000 1.040 5080 V CA -0.075 62.023 62.300 -0.338 0.000 1.002 5080 V CB -0.641 31.104 31.823 -0.130 0.000 1.000 5080 V HN 0.534 nan 8.190 nan 0.000 0.477 5081 F N 2.979 122.942 119.950 0.021 0.000 2.408 5081 F HA 0.689 5.216 4.527 0.000 0.000 0.344 5081 F C 0.942 176.738 175.800 -0.008 0.000 1.112 5081 F CA -0.489 57.513 58.000 0.003 0.000 1.096 5081 F CB 1.612 40.608 39.000 -0.006 0.000 1.129 5081 F HN 0.558 nan 8.300 nan 0.000 0.486 5082 G N 0.278 109.183 108.800 0.176 0.000 2.495 5082 G HA2 0.501 4.461 3.960 0.000 0.000 0.318 5082 G HA3 0.501 4.461 3.960 0.000 0.000 0.318 5082 G C 0.365 175.288 174.900 0.038 0.000 1.257 5082 G CA -0.384 44.766 45.100 0.083 0.000 0.962 5082 G HN 1.044 nan 8.290 nan 0.000 0.483 5083 G N -0.465 108.339 108.800 0.006 0.000 2.179 5083 G HA2 -0.147 3.813 3.960 0.000 0.000 0.220 5083 G HA3 -0.147 3.813 3.960 0.000 0.000 0.220 5083 G C 0.318 175.173 174.900 -0.075 0.000 0.990 5083 G CA 0.169 45.250 45.100 -0.033 0.000 0.646 5083 G HN 1.282 nan 8.290 nan 0.000 0.517 5084 V N 0.805 120.660 119.914 -0.099 0.000 2.732 5084 V HA 0.532 4.652 4.120 0.000 0.000 0.297 5084 V C 1.033 177.024 176.094 -0.172 0.000 1.060 5084 V CA 0.192 62.333 62.300 -0.265 0.000 1.038 5084 V CB 0.247 31.806 31.823 -0.439 0.000 1.003 5084 V HN 0.658 nan 8.190 nan 0.000 0.481 5085 Y N 2.817 123.103 120.300 -0.024 0.000 2.994 5085 Y HA -0.140 4.410 4.550 0.000 0.000 0.168 5085 Y C -1.386 174.464 175.900 -0.083 0.000 1.648 5085 Y CA -0.023 58.060 58.100 -0.030 0.000 0.924 5085 Y CB -1.294 37.151 38.460 -0.026 0.000 1.415 5085 Y HN 0.622 nan 8.280 nan 0.000 0.391 5086 P HA -0.038 nan 4.420 nan 0.000 0.230 5086 P C 0.066 176.974 177.300 -0.654 0.000 1.158 5086 P CA 1.434 64.334 63.100 -0.333 0.000 0.769 5086 P CB 0.293 31.789 31.700 -0.341 0.000 0.807 5087 F N -2.994 117.024 119.950 0.114 0.000 2.789 5087 F HA 0.332 4.859 4.527 0.000 0.000 0.319 5087 F C 1.932 177.758 175.800 0.043 0.000 1.168 5087 F CA -1.056 57.009 58.000 0.107 0.000 0.934 5087 F CB 0.589 39.704 39.000 0.192 0.000 1.375 5087 F HN -0.447 nan 8.300 nan 0.000 0.480 5088 M N -0.375 119.366 119.600 0.235 0.000 2.374 5088 M HA -0.113 4.367 4.480 0.000 0.000 0.264 5088 M C 0.604 176.810 176.300 -0.157 0.000 1.067 5088 M CA 1.906 57.127 55.300 -0.131 0.000 1.103 5088 M CB -0.092 32.312 32.600 -0.326 0.000 1.402 5088 M HN 0.558 nan 8.290 nan 0.000 0.444 5089 W N -0.493 120.835 121.300 0.047 0.000 3.290 5089 W HA 0.263 4.923 4.660 0.000 0.000 0.287 5089 W C 2.087 178.648 176.519 0.070 0.000 1.288 5089 W CA 0.227 57.590 57.345 0.031 0.000 1.725 5089 W CB -0.783 28.685 29.460 0.013 0.000 1.103 5089 W HN 0.151 nan 8.180 nan 0.000 0.670 5090 G N -0.051 108.916 108.800 0.278 0.000 2.395 5090 G HA2 0.286 4.246 3.960 0.000 0.000 0.214 5090 G HA3 0.286 4.246 3.960 0.000 0.000 0.214 5090 G C 1.433 176.450 174.900 0.196 0.000 1.177 5090 G CA 1.310 46.568 45.100 0.264 0.000 0.794 5090 G HN 0.361 nan 8.290 nan 0.000 0.532 5091 G N -1.083 107.720 108.800 0.006 0.000 4.018 5091 G HA2 0.221 4.181 3.960 0.000 0.000 0.195 5091 G HA3 0.221 4.181 3.960 0.000 0.000 0.195 5091 G C 1.209 175.864 174.900 -0.408 0.000 1.019 5091 G CA 0.614 45.612 45.100 -0.171 0.000 0.871 5091 G HN 0.925 nan 8.290 nan 0.000 0.339 5092 A N 0.380 122.807 122.820 -0.655 0.000 2.251 5092 A HA 0.513 4.833 4.320 0.000 0.000 0.209 5092 A C 1.174 178.559 177.584 -0.331 0.000 1.187 5092 A CA 1.473 53.178 52.037 -0.553 0.000 0.823 5092 A CB -0.469 18.103 19.000 -0.714 0.000 0.846 5092 A HN 0.788 nan 8.150 nan 0.000 0.486 5093 Q N -1.111 118.506 119.800 -0.304 0.000 2.460 5093 Q HA -0.186 4.154 4.340 0.000 0.000 0.311 5093 Q C -0.535 175.197 176.000 -0.446 0.000 1.396 5093 Q CA 0.384 55.977 55.803 -0.350 0.000 0.838 5093 Q CB -2.628 25.927 28.738 -0.304 0.000 1.140 5093 Q HN 0.699 nan 8.270 nan 0.000 0.415 5094 C N -0.534 118.571 119.300 -0.326 0.000 2.459 5094 C HA 0.410 4.870 4.460 0.000 0.000 0.374 5094 C C 1.350 176.137 174.990 -0.339 0.000 1.241 5094 C CA -0.471 58.400 59.018 -0.246 0.000 2.352 5094 C CB 0.097 27.803 27.740 -0.057 0.000 2.490 5094 C HN 0.546 nan 8.230 nan 0.000 0.583 5095 F N -0.436 119.548 119.950 0.055 0.000 2.704 5095 F HA 0.179 4.706 4.527 0.000 0.000 0.304 5095 F C 1.309 177.155 175.800 0.076 0.000 1.094 5095 F CA -0.181 57.868 58.000 0.082 0.000 1.275 5095 F CB -0.144 38.889 39.000 0.055 0.000 1.073 5095 F HN 0.465 nan 8.300 nan 0.000 0.586 5096 c N 1.118 119.821 118.600 0.172 0.000 2.539 5096 c HA 0.125 4.695 4.570 0.000 0.000 0.392 5096 c C 1.631 175.711 174.090 -0.017 0.000 1.269 5096 c CA -0.662 55.720 56.329 0.088 0.000 2.250 5096 c CB 0.829 43.378 42.510 0.065 0.000 2.584 5096 c HN 0.350 nan 8.230 nan 0.000 0.589 5097 D N 0.741 121.123 120.400 -0.030 0.000 2.091 5097 D HA -0.049 4.591 4.640 0.000 0.000 0.199 5097 D C 1.612 177.791 176.300 -0.203 0.000 0.980 5097 D CA 1.721 55.632 54.000 -0.148 0.000 0.831 5097 D CB 0.085 40.870 40.800 -0.025 0.000 0.987 5097 D HN 0.719 nan 8.370 nan 0.000 0.460 5098 S N -1.487 114.158 115.700 -0.092 0.000 3.067 5098 S HA 0.220 4.690 4.470 0.000 0.000 0.253 5098 S C -0.101 174.482 174.600 -0.028 0.000 0.942 5098 S CA -0.606 57.549 58.200 -0.074 0.000 1.197 5098 S CB 0.128 63.292 63.200 -0.060 0.000 1.143 5098 S HN 0.030 nan 8.310 nan 0.000 0.638 5099 E N 2.499 122.693 120.200 -0.010 0.000 2.731 5099 E HA 0.370 4.720 4.350 0.000 0.000 0.220 5099 E C -1.007 175.608 176.600 0.026 0.000 1.087 5099 E CA -0.330 56.077 56.400 0.012 0.000 1.020 5099 E CB 0.317 30.028 29.700 0.018 0.000 1.339 5099 E HN 0.397 nan 8.360 nan 0.000 0.444 5100 N N 1.212 119.931 118.700 0.032 0.000 2.235 5100 N HA 0.326 5.066 4.740 0.000 0.000 0.293 5100 N C -0.942 174.609 175.510 0.069 0.000 1.083 5100 N CA -0.410 52.675 53.050 0.059 0.000 0.801 5100 N CB 2.275 40.810 38.487 0.081 0.000 1.559 5100 N HN 0.265 nan 8.380 nan 0.000 0.472 5101 S N 0.590 116.336 115.700 0.077 0.000 2.627 5101 S HA 0.612 5.082 4.470 0.000 0.000 0.283 5101 S C -1.079 173.575 174.600 0.091 0.000 1.127 5101 S CA -0.749 57.497 58.200 0.077 0.000 0.863 5101 S CB 2.722 65.948 63.200 0.042 0.000 1.121 5101 S HN 0.525 nan 8.310 nan 0.000 0.479 5102 Q N 0.221 120.070 119.800 0.082 0.000 2.456 5102 Q HA 0.486 4.826 4.340 0.000 0.000 0.283 5102 Q C 0.219 176.219 176.000 -0.002 0.000 1.084 5102 Q CA -0.947 54.906 55.803 0.083 0.000 0.801 5102 Q CB 2.222 31.063 28.738 0.171 0.000 1.434 5102 Q HN 0.700 nan 8.270 nan 0.000 0.419 5103 M N -0.223 119.380 119.600 0.005 0.000 2.276 5103 M HA 0.065 4.545 4.480 0.000 0.000 0.262 5103 M C 0.008 176.270 176.300 -0.063 0.000 1.098 5103 M CA 0.622 55.903 55.300 -0.032 0.000 1.167 5103 M CB 0.229 32.830 32.600 0.002 0.000 1.337 5103 M HN 0.709 nan 8.290 nan 0.000 0.446 5104 S N 2.408 118.119 115.700 0.018 0.000 3.391 5104 S HA -0.101 4.369 4.470 0.000 0.000 0.458 5104 S C -0.542 174.083 174.600 0.041 0.000 0.812 5104 S CA 0.354 58.613 58.200 0.098 0.000 1.366 5104 S CB -0.919 62.404 63.200 0.204 0.000 0.943 5104 S HN 0.449 nan 8.310 nan 0.000 0.680 5105 E N 0.814 121.007 120.200 -0.011 0.000 2.212 5105 E HA 0.781 5.131 4.350 0.000 0.000 0.270 5105 E C -0.072 176.378 176.600 -0.249 0.000 0.956 5105 E CA -0.731 55.567 56.400 -0.169 0.000 0.825 5105 E CB 1.761 31.311 29.700 -0.252 0.000 1.167 5105 E HN 0.620 nan 8.360 nan 0.000 0.400 5106 A N 2.447 124.989 122.820 -0.463 0.000 2.500 5106 A HA 0.481 4.801 4.320 0.000 0.000 0.288 5106 A C -1.777 175.611 177.584 -0.326 0.000 1.045 5106 A CA -0.585 51.241 52.037 -0.352 0.000 0.830 5106 A CB 0.192 19.112 19.000 -0.133 0.000 1.337 5106 A HN 0.619 nan 8.150 nan 0.000 0.400 5107 Y N 0.300 120.522 120.300 -0.131 0.000 2.686 5107 Y HA 0.784 5.334 4.550 0.000 0.000 0.330 5107 Y C 0.068 175.886 175.900 -0.136 0.000 1.082 5107 Y CA -1.651 56.331 58.100 -0.196 0.000 1.158 5107 Y CB 2.270 40.552 38.460 -0.297 0.000 1.333 5107 Y HN 0.356 nan 8.280 nan 0.000 0.519 5108 V N 1.139 121.073 119.914 0.032 0.000 2.488 5108 V HA 0.252 4.372 4.120 0.000 0.000 0.293 5108 V C -0.790 175.267 176.094 -0.060 0.000 1.027 5108 V CA -0.959 61.326 62.300 -0.024 0.000 0.862 5108 V CB 1.314 33.087 31.823 -0.084 0.000 1.008 5108 V HN 0.722 nan 8.190 nan 0.000 0.428 5109 E N 3.324 123.527 120.200 0.005 0.000 2.232 5109 E HA 0.606 4.956 4.350 0.000 0.000 0.265 5109 E C -0.756 175.917 176.600 0.122 0.000 1.001 5109 E CA -1.008 55.406 56.400 0.024 0.000 0.870 5109 E CB 2.084 31.802 29.700 0.030 0.000 1.175 5109 E HN 0.494 nan 8.360 nan 0.000 0.407 5110 L N 2.162 123.478 121.223 0.156 0.000 2.499 5110 L HA 0.003 4.343 4.340 0.000 0.000 0.273 5110 L C 0.836 177.818 176.870 0.188 0.000 1.195 5110 L CA -0.152 54.855 54.840 0.279 0.000 0.882 5110 L CB -0.015 42.173 42.059 0.215 0.000 1.133 5110 L HN 0.575 nan 8.230 nan 0.000 0.483 5111 S N 2.407 118.218 115.700 0.185 0.000 2.587 5111 S HA 0.185 4.655 4.470 0.000 0.000 0.260 5111 S C 1.098 175.718 174.600 0.034 0.000 1.353 5111 S CA -0.169 58.081 58.200 0.083 0.000 0.995 5111 S CB 1.166 64.386 63.200 0.034 0.000 0.912 5111 S HN 0.690 nan 8.310 nan 0.000 0.568 5112 A N 0.161 122.990 122.820 0.015 0.000 2.016 5112 A HA 0.064 4.384 4.320 0.000 0.000 0.217 5112 A C 1.469 179.035 177.584 -0.030 0.000 1.162 5112 A CA 0.860 52.897 52.037 0.000 0.000 0.662 5112 A CB -0.553 18.450 19.000 0.005 0.000 0.812 5112 A HN 0.815 nan 8.150 nan 0.000 0.450 5113 D N -1.114 119.257 120.400 -0.048 0.000 2.340 5113 D HA 0.042 4.682 4.640 0.000 0.000 0.220 5113 D C 1.245 177.453 176.300 -0.154 0.000 1.039 5113 D CA 0.197 54.149 54.000 -0.079 0.000 0.866 5113 D CB -0.161 40.601 40.800 -0.063 0.000 0.913 5113 D HN 0.382 nan 8.370 nan 0.000 0.523 5114 C N 0.532 119.721 119.300 -0.184 0.000 2.495 5114 C HA 0.133 4.593 4.460 0.000 0.000 0.275 5114 C C 2.734 177.410 174.990 -0.524 0.000 1.392 5114 C CA 0.429 59.214 59.018 -0.387 0.000 1.766 5114 C CB -0.677 26.923 27.740 -0.233 0.000 1.933 5114 C HN 0.380 nan 8.230 nan 0.000 0.519 5115 A N 0.300 122.994 122.820 -0.210 0.000 1.940 5115 A HA -0.147 4.173 4.320 0.000 0.000 0.219 5115 A C 2.200 179.719 177.584 -0.109 0.000 1.176 5115 A CA 2.520 54.497 52.037 -0.100 0.000 0.631 5115 A CB -0.463 18.518 19.000 -0.031 0.000 0.814 5115 A HN 0.570 nan 8.150 nan 0.000 0.446 5116 S N -0.396 115.219 115.700 -0.142 0.000 2.289 5116 S HA 0.043 4.513 4.470 0.000 0.000 0.193 5116 S C 0.273 174.801 174.600 -0.121 0.000 1.002 5116 S CA -0.115 58.030 58.200 -0.091 0.000 0.951 5116 S CB -0.362 62.801 63.200 -0.061 0.000 0.920 5116 S HN 0.563 nan 8.310 nan 0.000 0.502 5117 D N 1.769 122.082 120.400 -0.146 0.000 2.458 5117 D HA 0.298 4.938 4.640 0.000 0.000 0.243 5117 D C -0.056 176.113 176.300 -0.218 0.000 1.146 5117 D CA 0.874 54.802 54.000 -0.119 0.000 0.877 5117 D CB 0.363 41.113 40.800 -0.083 0.000 1.176 5117 D HN 0.289 nan 8.370 nan 0.000 0.461 5118 H N -0.309 118.709 119.070 -0.088 0.000 3.110 5118 H HA 0.706 5.262 4.556 0.000 0.000 0.277 5118 H C -1.247 173.963 175.328 -0.196 0.000 1.571 5118 H CA -0.801 55.163 56.048 -0.140 0.000 1.206 5118 H CB 1.637 31.336 29.762 -0.105 0.000 1.852 5118 H HN 0.364 nan 8.280 nan 0.000 0.629 5119 A N 1.284 124.067 122.820 -0.061 0.000 2.429 5119 A HA 0.437 4.757 4.320 0.000 0.000 0.289 5119 A C -1.314 176.152 177.584 -0.197 0.000 1.043 5119 A CA -0.641 51.244 52.037 -0.255 0.000 0.722 5119 A CB 1.236 20.043 19.000 -0.322 0.000 1.243 5119 A HN 0.511 nan 8.150 nan 0.000 0.415 5120 Q N 1.630 121.320 119.800 -0.183 0.000 2.368 5120 Q HA 0.566 4.906 4.340 0.000 0.000 0.256 5120 Q C 0.037 175.936 176.000 -0.168 0.000 0.980 5120 Q CA -0.451 55.267 55.803 -0.143 0.000 0.887 5120 Q CB 1.988 30.663 28.738 -0.106 0.000 1.221 5120 Q HN 0.888 nan 8.270 nan 0.000 0.458 5121 A N 4.500 127.231 122.820 -0.148 0.000 2.409 5121 A HA 0.585 4.905 4.320 0.000 0.000 0.267 5121 A C -0.329 177.208 177.584 -0.079 0.000 1.127 5121 A CA -0.008 51.904 52.037 -0.208 0.000 0.795 5121 A CB 0.145 19.077 19.000 -0.113 0.000 1.061 5121 A HN 0.768 nan 8.150 nan 0.000 0.502 5122 I N 1.051 121.553 120.570 -0.113 0.000 3.095 5122 I HA 0.367 4.537 4.170 0.000 0.000 0.310 5122 I C -0.312 175.763 176.117 -0.071 0.000 1.196 5122 I CA -0.732 60.527 61.300 -0.068 0.000 0.985 5122 I CB 2.661 40.597 38.000 -0.106 0.000 1.250 5122 I HN 0.527 nan 8.210 nan 0.000 0.446 5123 K N 2.969 123.332 120.400 -0.062 0.000 2.484 5123 K HA 0.437 4.757 4.320 0.000 0.000 0.226 5123 K C -1.066 175.361 176.600 -0.288 0.000 1.031 5123 K CA -0.491 55.726 56.287 -0.116 0.000 1.026 5123 K CB 1.600 34.114 32.500 0.022 0.000 1.412 5123 K HN 0.266 nan 8.250 nan 0.000 0.492 5124 V N 4.538 124.259 119.914 -0.323 0.000 2.599 5124 V HA -0.024 4.096 4.120 0.000 0.000 0.300 5124 V C 0.570 176.332 176.094 -0.554 0.000 1.034 5124 V CA 0.620 62.732 62.300 -0.313 0.000 1.115 5124 V CB 0.026 31.730 31.823 -0.198 0.000 0.934 5124 V HN 0.698 nan 8.190 nan 0.000 0.485 5125 H N 1.212 120.264 119.070 -0.029 0.000 3.742 5125 H HA 0.271 4.827 4.556 0.000 0.000 0.342 5125 H C 0.300 175.610 175.328 -0.030 0.000 1.682 5125 H CA -0.601 55.429 56.048 -0.031 0.000 1.177 5125 H CB 0.498 30.248 29.762 -0.020 0.000 1.602 5125 H HN 0.450 nan 8.280 nan 0.000 0.699 5126 T N 1.911 116.549 114.554 0.140 0.000 2.417 5126 T HA 0.030 4.380 4.350 0.000 0.000 0.202 5126 T C 0.429 175.149 174.700 0.033 0.000 1.204 5126 T CA 0.504 62.633 62.100 0.048 0.000 3.616 5126 T CB -1.386 67.496 68.868 0.023 0.000 0.734 5126 T HN 0.562 nan 8.240 nan 0.000 0.256 5127 A N 2.974 125.806 122.820 0.021 0.000 2.488 5127 A HA 0.609 4.929 4.320 0.000 0.000 0.249 5127 A C 0.803 178.400 177.584 0.021 0.000 1.083 5127 A CA -0.240 51.814 52.037 0.028 0.000 0.768 5127 A CB 0.226 19.248 19.000 0.037 0.000 1.017 5127 A HN 1.002 nan 8.150 nan 0.000 0.496 5128 A N 2.873 125.715 122.820 0.035 0.000 2.269 5128 A HA 0.851 5.171 4.320 0.000 0.000 0.319 5128 A C -0.032 177.580 177.584 0.047 0.000 1.110 5128 A CA -0.519 51.545 52.037 0.044 0.000 0.847 5128 A CB 0.642 19.678 19.000 0.060 0.000 1.161 5128 A HN 0.860 nan 8.150 nan 0.000 0.497 5129 M N 0.411 120.043 119.600 0.055 0.000 2.446 5129 M HA 0.445 4.926 4.480 0.000 0.000 0.294 5129 M C -1.311 175.010 176.300 0.035 0.000 1.158 5129 M CA -0.205 55.124 55.300 0.049 0.000 0.899 5129 M CB 2.707 35.337 32.600 0.050 0.000 1.687 5129 M HN 0.628 nan 8.290 nan 0.000 0.455 5130 K N 2.209 122.606 120.400 -0.005 0.000 2.656 5130 K HA 0.587 4.907 4.320 0.000 0.000 0.253 5130 K C -1.750 174.824 176.600 -0.044 0.000 1.002 5130 K CA -0.619 55.624 56.287 -0.073 0.000 0.880 5130 K CB 2.698 35.062 32.500 -0.228 0.000 1.232 5130 K HN 0.411 nan 8.250 nan 0.000 0.456 5131 V N 1.444 121.349 119.914 -0.015 0.000 2.407 5131 V HA 0.386 4.506 4.120 0.000 0.000 0.291 5131 V C 0.473 176.569 176.094 0.002 0.000 1.018 5131 V CA -0.913 61.386 62.300 -0.001 0.000 0.842 5131 V CB 1.771 33.608 31.823 0.024 0.000 0.996 5131 V HN 0.909 nan 8.190 nan 0.000 0.426 5132 G N 5.810 114.605 108.800 -0.008 0.000 2.605 5132 G HA2 0.426 4.386 3.960 0.000 0.000 0.301 5132 G HA3 0.426 4.386 3.960 0.000 0.000 0.301 5132 G C -0.256 174.658 174.900 0.025 0.000 0.881 5132 G CA -0.197 44.907 45.100 0.006 0.000 1.553 5132 G HN 0.616 nan 8.290 nan 0.000 0.483 5133 L N 2.771 124.023 121.223 0.048 0.000 2.290 5133 L HA 0.336 4.676 4.340 0.000 0.000 0.284 5133 L C 1.102 178.027 176.870 0.093 0.000 1.078 5133 L CA -0.665 54.212 54.840 0.062 0.000 0.815 5133 L CB 1.022 43.117 42.059 0.059 0.000 1.162 5133 L HN 0.398 nan 8.230 nan 0.000 0.435 5134 R N 3.708 124.269 120.500 0.103 0.000 2.590 5134 R HA 0.461 4.801 4.340 0.000 0.000 0.274 5134 R C -0.653 175.706 176.300 0.098 0.000 1.061 5134 R CA -0.009 56.213 56.100 0.203 0.000 1.081 5134 R CB 0.688 31.096 30.300 0.180 0.000 0.984 5134 R HN 0.524 nan 8.270 nan 0.000 0.448 5135 I N 2.425 123.035 120.570 0.067 0.000 2.498 5135 I HA 0.366 4.536 4.170 0.000 0.000 0.290 5135 I C -0.804 175.199 176.117 -0.190 0.000 1.032 5135 I CA -0.951 60.280 61.300 -0.115 0.000 1.073 5135 I CB 2.180 40.139 38.000 -0.068 0.000 1.251 5135 I HN 0.215 nan 8.210 nan 0.000 0.426 5136 V N 6.376 126.067 119.914 -0.372 0.000 2.733 5136 V HA 0.360 4.480 4.120 0.000 0.000 0.306 5136 V C -1.001 174.825 176.094 -0.448 0.000 1.084 5136 V CA -0.393 61.742 62.300 -0.274 0.000 0.905 5136 V CB 2.021 33.759 31.823 -0.141 0.000 1.010 5136 V HN 0.704 nan 8.190 nan 0.000 0.424 5137 Y N 2.780 123.065 120.300 -0.026 0.000 2.898 5137 Y HA 0.547 5.097 4.550 0.000 0.000 0.249 5137 Y C 0.929 176.806 175.900 -0.039 0.000 1.108 5137 Y CA 0.206 58.281 58.100 -0.042 0.000 1.184 5137 Y CB 1.620 40.036 38.460 -0.073 0.000 1.245 5137 Y HN 0.929 nan 8.280 nan 0.000 0.611 5138 G N 0.373 109.234 108.800 0.101 0.000 2.251 5138 G HA2 -0.184 3.776 3.960 0.000 0.000 0.058 5138 G HA3 -0.184 3.776 3.960 0.000 0.000 0.058 5138 G C 0.007 174.931 174.900 0.040 0.000 0.922 5138 G CA -0.171 44.970 45.100 0.070 0.000 1.133 5138 G HN 0.016 nan 8.290 nan 0.000 0.410 5139 N N 0.956 119.675 118.700 0.032 0.000 2.373 5139 N HA 0.179 4.919 4.740 0.000 0.000 0.181 5139 N C 0.324 175.830 175.510 -0.006 0.000 1.082 5139 N CA 0.851 53.912 53.050 0.018 0.000 0.885 5139 N CB 0.364 38.867 38.487 0.026 0.000 0.977 5139 N HN 0.427 nan 8.380 nan 0.000 0.462 5140 T N 0.301 114.848 114.554 -0.012 0.000 2.909 5140 T HA 0.372 4.722 4.350 0.000 0.000 0.286 5140 T C 0.073 174.716 174.700 -0.094 0.000 1.002 5140 T CA -0.019 62.053 62.100 -0.047 0.000 1.074 5140 T CB 1.544 70.393 68.868 -0.032 0.000 0.984 5140 T HN -0.064 nan 8.240 nan 0.000 0.495 5141 T N 1.927 116.377 114.554 -0.174 0.000 3.209 5141 T HA 0.383 4.733 4.350 0.000 0.000 0.366 5141 T C -0.072 174.273 174.700 -0.592 0.000 1.293 5141 T CA -0.901 61.010 62.100 -0.315 0.000 1.417 5141 T CB 0.180 68.886 68.868 -0.270 0.000 1.013 5141 T HN 0.617 nan 8.240 nan 0.000 0.572 5142 S N 1.764 117.180 115.700 -0.473 0.000 2.525 5142 S HA 0.820 5.290 4.470 0.000 0.000 0.290 5142 S C -0.639 173.696 174.600 -0.443 0.000 1.152 5142 S CA -0.875 57.046 58.200 -0.465 0.000 1.072 5142 S CB 0.881 63.974 63.200 -0.179 0.000 1.027 5142 S HN 0.463 nan 8.310 nan 0.000 0.500 5143 F N 1.685 121.633 119.950 -0.003 0.000 2.449 5143 F HA 0.566 5.093 4.527 0.000 0.000 0.342 5143 F C -0.178 175.624 175.800 0.004 0.000 1.127 5143 F CA -0.970 57.027 58.000 -0.005 0.000 0.975 5143 F CB 1.299 40.294 39.000 -0.008 0.000 1.146 5143 F HN 0.275 nan 8.300 nan 0.000 0.444 5144 L N 3.043 124.375 121.223 0.180 0.000 2.370 5144 L HA 0.450 4.790 4.340 0.000 0.000 0.266 5144 L C -0.882 176.039 176.870 0.085 0.000 1.002 5144 L CA -1.034 53.873 54.840 0.111 0.000 0.818 5144 L CB 2.334 44.445 42.059 0.088 0.000 1.325 5144 L HN 0.499 nan 8.230 nan 0.000 0.418 5145 D N 3.065 123.502 120.400 0.061 0.000 2.468 5145 D HA 0.237 4.877 4.640 0.000 0.000 0.218 5145 D C -0.494 175.823 176.300 0.028 0.000 1.155 5145 D CA -0.004 54.003 54.000 0.011 0.000 0.924 5145 D CB 1.691 42.476 40.800 -0.026 0.000 1.029 5145 D HN 0.001 nan 8.370 nan 0.000 0.515 5146 V N 2.877 122.818 119.914 0.046 0.000 2.427 5146 V HA 0.154 4.274 4.120 0.000 0.000 0.286 5146 V C -0.203 175.960 176.094 0.114 0.000 1.034 5146 V CA -0.906 61.472 62.300 0.130 0.000 0.893 5146 V CB 0.708 32.602 31.823 0.119 0.000 0.982 5146 V HN 0.303 nan 8.190 nan 0.000 0.452 5147 Y N 2.806 123.119 120.300 0.021 0.000 2.442 5147 Y HA 0.215 4.765 4.550 0.000 0.000 0.330 5147 Y C 0.643 176.553 175.900 0.016 0.000 1.129 5147 Y CA -0.450 57.661 58.100 0.017 0.000 1.365 5147 Y CB 0.469 38.936 38.460 0.012 0.000 1.233 5147 Y HN 0.352 nan 8.280 nan 0.000 0.529 5148 V N 5.197 125.198 119.914 0.144 0.000 2.326 5148 V HA 0.191 4.311 4.120 0.000 0.000 0.249 5148 V C 0.013 176.154 176.094 0.078 0.000 1.114 5148 V CA -0.014 62.339 62.300 0.089 0.000 1.028 5148 V CB -1.069 30.790 31.823 0.059 0.000 1.170 5148 V HN 0.766 nan 8.190 nan 0.000 0.494 5149 N N 2.900 121.641 118.700 0.068 0.000 2.935 5149 N HA 0.287 5.027 4.740 0.000 0.000 0.248 5149 N C 0.495 176.018 175.510 0.022 0.000 1.276 5149 N CA 0.051 53.124 53.050 0.038 0.000 0.906 5149 N CB 2.170 40.681 38.487 0.039 0.000 1.564 5149 N HN 0.356 nan 8.380 nan 0.000 0.500 5150 G N -0.018 108.786 108.800 0.007 0.000 3.327 5150 G HA2 0.218 4.178 3.960 0.000 0.000 0.240 5150 G HA3 0.218 4.178 3.960 0.000 0.000 0.240 5150 G C 0.693 175.589 174.900 -0.007 0.000 1.222 5150 G CA 0.322 45.423 45.100 0.001 0.000 0.871 5150 G HN 0.316 nan 8.290 nan 0.000 0.525 5151 V N -0.540 119.366 119.914 -0.013 0.000 3.013 5151 V HA 0.100 4.221 4.120 0.000 0.000 0.238 5151 V C 1.268 177.338 176.094 -0.041 0.000 1.161 5151 V CA 0.864 63.148 62.300 -0.028 0.000 1.170 5151 V CB 0.283 32.084 31.823 -0.036 0.000 0.917 5151 V HN 0.149 nan 8.190 nan 0.000 0.478 5152 T N 4.531 119.056 114.554 -0.048 0.000 2.747 5152 T HA 0.328 4.678 4.350 0.000 0.000 0.301 5152 T C -2.007 172.680 174.700 -0.022 0.000 0.952 5152 T CA -0.670 61.386 62.100 -0.074 0.000 0.983 5152 T CB 1.166 69.933 68.868 -0.168 0.000 0.930 5152 T HN 0.333 nan 8.240 nan 0.000 0.494 5153 P HA 0.502 nan 4.420 nan 0.000 0.289 5153 P C 0.277 177.589 177.300 0.019 0.000 1.299 5153 P CA -0.352 62.751 63.100 0.005 0.000 0.766 5153 P CB 0.951 32.649 31.700 -0.004 0.000 1.226 5154 G N -1.875 106.943 108.800 0.030 0.000 3.209 5154 G HA2 0.593 4.553 3.960 0.000 0.000 0.236 5154 G HA3 0.593 4.553 3.960 0.000 0.000 0.236 5154 G C -0.284 174.635 174.900 0.032 0.000 1.329 5154 G CA -0.109 45.016 45.100 0.042 0.000 1.015 5154 G HN 0.441 nan 8.290 nan 0.000 0.571 5155 T N -1.572 113.005 114.554 0.037 0.000 3.689 5155 T HA 0.123 4.473 4.350 0.000 0.000 0.293 5155 T C 2.091 176.810 174.700 0.031 0.000 0.955 5155 T CA 1.528 63.644 62.100 0.028 0.000 1.130 5155 T CB -0.653 68.229 68.868 0.023 0.000 1.138 5155 T HN 1.528 nan 8.240 nan 0.000 0.477 5156 S N 3.294 119.017 115.700 0.037 0.000 4.155 5156 S HA -0.389 4.081 4.470 0.000 0.000 0.538 5156 S C 0.682 175.295 174.600 0.022 0.000 1.284 5156 S CA 2.250 60.470 58.200 0.034 0.000 3.676 5156 S CB -1.505 61.729 63.200 0.057 0.000 1.966 5156 S HN 0.881 nan 8.310 nan 0.000 0.455 5157 K N 1.800 122.219 120.400 0.032 0.000 2.961 5157 K HA 0.527 4.847 4.320 0.000 0.000 0.187 5157 K C -0.797 175.807 176.600 0.007 0.000 1.110 5157 K CA 0.064 56.363 56.287 0.020 0.000 0.968 5157 K CB 0.255 32.776 32.500 0.035 0.000 1.287 5157 K HN 0.384 nan 8.250 nan 0.000 0.578 5158 D N 1.145 121.547 120.400 0.004 0.000 2.983 5158 D HA -0.171 4.469 4.640 0.000 0.000 0.225 5158 D C -0.487 175.807 176.300 -0.012 0.000 1.174 5158 D CA 1.000 54.998 54.000 -0.004 0.000 0.831 5158 D CB -0.677 40.117 40.800 -0.009 0.000 1.104 5158 D HN 0.503 nan 8.370 nan 0.000 0.421 5159 L N -0.164 121.057 121.223 -0.003 0.000 2.354 5159 L HA 0.367 4.707 4.340 0.000 0.000 0.269 5159 L C 0.797 177.673 176.870 0.011 0.000 1.005 5159 L CA -0.820 54.014 54.840 -0.011 0.000 0.819 5159 L CB 1.938 43.983 42.059 -0.023 0.000 1.311 5159 L HN -0.338 nan 8.230 nan 0.000 0.423 5160 K N 2.430 122.833 120.400 0.006 0.000 2.180 5160 K HA 0.291 4.611 4.320 0.000 0.000 0.250 5160 K C -0.882 175.736 176.600 0.030 0.000 1.135 5160 K CA -0.342 55.955 56.287 0.015 0.000 1.037 5160 K CB 0.700 33.203 32.500 0.006 0.000 1.624 5160 K HN 0.264 nan 8.250 nan 0.000 0.382 5161 V N 4.828 124.772 119.914 0.049 0.000 2.427 5161 V HA 0.188 4.308 4.120 0.000 0.000 0.268 5161 V C 0.385 176.512 176.094 0.056 0.000 1.046 5161 V CA -0.236 62.106 62.300 0.069 0.000 0.970 5161 V CB 0.235 32.116 31.823 0.096 0.000 1.001 5161 V HN 0.511 nan 8.190 nan 0.000 0.476 5162 I N 3.837 124.437 120.570 0.050 0.000 2.377 5162 I HA 0.450 4.620 4.170 0.000 0.000 0.293 5162 I C 1.227 177.370 176.117 0.043 0.000 0.987 5162 I CA -0.446 60.878 61.300 0.040 0.000 1.185 5162 I CB 1.854 39.870 38.000 0.026 0.000 1.341 5162 I HN 0.662 nan 8.210 nan 0.000 0.455 5163 A N 4.801 127.650 122.820 0.047 0.000 1.854 5163 A HA 0.372 4.692 4.320 0.000 0.000 0.214 5163 A C 1.201 178.801 177.584 0.027 0.000 1.192 5163 A CA 1.016 53.079 52.037 0.044 0.000 0.611 5163 A CB -0.722 18.316 19.000 0.063 0.000 0.832 5163 A HN 1.189 nan 8.150 nan 0.000 0.442 5164 G N -0.910 107.904 108.800 0.024 0.000 2.862 5164 G HA2 -0.020 3.940 3.960 0.000 0.000 0.686 5164 G HA3 -0.020 3.940 3.960 0.000 0.000 0.686 5164 G C -2.749 172.155 174.900 0.007 0.000 1.134 5164 G CA -0.306 44.800 45.100 0.011 0.000 0.791 5164 G HN 0.482 nan 8.290 nan 0.000 0.592 5165 P HA 0.343 nan 4.420 nan 0.000 0.271 5165 P C 0.693 177.983 177.300 -0.016 0.000 1.220 5165 P CA -0.052 63.043 63.100 -0.009 0.000 0.768 5165 P CB 0.675 32.364 31.700 -0.018 0.000 0.848 5166 I N 2.223 122.782 120.570 -0.018 0.000 2.696 5166 I HA -0.058 4.112 4.170 0.000 0.000 0.284 5166 I C 1.986 178.081 176.117 -0.037 0.000 1.129 5166 I CA 0.153 61.442 61.300 -0.019 0.000 1.410 5166 I CB 0.355 38.351 38.000 -0.006 0.000 1.399 5166 I HN 0.389 nan 8.210 nan 0.000 0.579 5167 S N 3.145 118.830 115.700 -0.024 0.000 2.522 5167 S HA 0.122 4.592 4.470 0.000 0.000 0.227 5167 S C 0.816 175.389 174.600 -0.045 0.000 0.986 5167 S CA 0.021 58.203 58.200 -0.031 0.000 0.929 5167 S CB -0.018 63.177 63.200 -0.007 0.000 0.769 5167 S HN 0.704 nan 8.310 nan 0.000 0.529 5168 A N 2.132 124.934 122.820 -0.030 0.000 2.260 5168 A HA 0.603 4.923 4.320 0.000 0.000 0.312 5168 A C 0.685 178.128 177.584 -0.236 0.000 1.321 5168 A CA -0.412 51.615 52.037 -0.017 0.000 0.928 5168 A CB 0.427 19.517 19.000 0.150 0.000 1.158 5168 A HN 0.506 nan 8.150 nan 0.000 0.542 5169 S N 1.822 117.220 115.700 -0.504 0.000 2.526 5169 S HA 0.371 4.841 4.470 0.000 0.000 0.247 5169 S C -0.504 173.734 174.600 -0.604 0.000 1.076 5169 S CA -0.390 57.516 58.200 -0.490 0.000 1.105 5169 S CB -0.842 62.115 63.200 -0.404 0.000 0.793 5169 S HN 0.409 nan 8.310 nan 0.000 0.458 5170 F N 2.088 121.846 119.950 -0.320 0.000 2.404 5170 F HA 0.425 4.952 4.527 0.000 0.000 0.358 5170 F C 0.839 176.410 175.800 -0.382 0.000 1.120 5170 F CA -0.486 57.341 58.000 -0.289 0.000 1.144 5170 F CB 1.054 39.924 39.000 -0.216 0.000 1.133 5170 F HN -0.005 nan 8.300 nan 0.000 0.495 5171 T N 4.892 119.403 114.554 -0.071 0.000 2.824 5171 T HA 0.242 4.592 4.350 0.000 0.000 0.280 5171 T C -1.356 173.303 174.700 -0.068 0.000 0.995 5171 T CA -1.115 60.941 62.100 -0.074 0.000 1.009 5171 T CB 1.752 70.605 68.868 -0.025 0.000 0.955 5171 T HN 0.400 nan 8.240 nan 0.000 0.452 5172 P HA 0.077 nan 4.420 nan 0.000 0.229 5172 P C -0.261 176.785 177.300 -0.422 0.000 1.160 5172 P CA 0.428 63.320 63.100 -0.348 0.000 0.777 5172 P CB 0.149 31.525 31.700 -0.541 0.000 0.814 5173 F N 0.331 120.280 119.950 -0.003 0.000 2.408 5173 F HA 0.288 4.815 4.527 0.000 0.000 0.344 5173 F C 1.323 177.075 175.800 -0.079 0.000 1.112 5173 F CA -0.987 56.988 58.000 -0.043 0.000 1.096 5173 F CB 0.740 39.703 39.000 -0.061 0.000 1.129 5173 F HN -0.248 nan 8.300 nan 0.000 0.486 5174 D N 0.573 121.027 120.400 0.090 0.000 2.261 5174 D HA 0.059 4.699 4.640 0.000 0.000 0.289 5174 D C 1.697 177.909 176.300 -0.147 0.000 1.162 5174 D CA 0.188 54.165 54.000 -0.038 0.000 1.089 5174 D CB 0.197 41.038 40.800 0.070 0.000 1.162 5174 D HN 0.487 nan 8.370 nan 0.000 0.521 5175 H N -0.352 118.712 119.070 -0.010 0.000 2.428 5175 H HA 0.139 4.695 4.556 0.000 0.000 0.296 5175 H C 0.195 175.430 175.328 -0.155 0.000 1.062 5175 H CA 0.894 56.884 56.048 -0.097 0.000 1.350 5175 H CB 0.550 30.316 29.762 0.006 0.000 1.403 5175 H HN 0.038 nan 8.280 nan 0.000 0.533 5176 K N 0.945 121.377 120.400 0.053 0.000 2.482 5176 K HA 0.487 4.807 4.320 0.000 0.000 0.251 5176 K C -1.360 175.220 176.600 -0.032 0.000 0.936 5176 K CA -0.435 55.848 56.287 -0.005 0.000 0.791 5176 K CB 3.594 36.127 32.500 0.054 0.000 1.213 5176 K HN -0.214 nan 8.250 nan 0.000 0.428 5177 V N 3.255 123.105 119.914 -0.107 0.000 2.524 5177 V HA 0.304 4.425 4.120 0.000 0.000 0.297 5177 V C -0.636 175.347 176.094 -0.186 0.000 1.035 5177 V CA -0.898 61.321 62.300 -0.135 0.000 0.867 5177 V CB 1.861 33.587 31.823 -0.162 0.000 1.004 5177 V HN 0.483 nan 8.190 nan 0.000 0.426 5178 V N 5.986 125.781 119.914 -0.199 0.000 2.547 5178 V HA 0.538 4.658 4.120 0.000 0.000 0.299 5178 V C 0.070 176.165 176.094 0.001 0.000 1.040 5178 V CA -0.604 61.592 62.300 -0.174 0.000 0.913 5178 V CB 2.078 33.751 31.823 -0.251 0.000 0.992 5178 V HN 0.660 nan 8.190 nan 0.000 0.449 5179 I N 3.769 124.316 120.570 -0.039 0.000 2.499 5179 I HA 0.436 4.606 4.170 0.000 0.000 0.296 5179 I C -0.217 175.908 176.117 0.015 0.000 0.992 5179 I CA -0.351 60.964 61.300 0.025 0.000 1.297 5179 I CB 0.695 38.667 38.000 -0.047 0.000 1.410 5179 I HN 0.567 nan 8.210 nan 0.000 0.507 5180 H N 6.323 125.493 119.070 0.166 0.000 3.240 5180 H HA 0.378 4.934 4.556 0.000 0.000 0.326 5180 H C 0.030 175.454 175.328 0.159 0.000 1.015 5180 H CA -0.492 55.691 56.048 0.226 0.000 1.504 5180 H CB 1.503 31.530 29.762 0.440 0.000 1.754 5180 H HN 0.685 nan 8.280 nan 0.000 0.505 5181 R N 1.837 122.439 120.500 0.169 0.000 1.368 5181 R HA -0.243 4.097 4.340 0.000 0.000 0.041 5181 R C 0.799 177.145 176.300 0.075 0.000 0.958 5181 R CA 2.068 58.236 56.100 0.113 0.000 1.925 5181 R CB -1.404 28.977 30.300 0.134 0.000 0.221 5181 R HN 0.755 nan 8.270 nan 0.000 0.717 5182 G N 0.127 108.973 108.800 0.077 0.000 5.414 5182 G HA2 0.495 4.455 3.960 0.000 0.000 0.202 5182 G HA3 0.495 4.455 3.960 0.000 0.000 0.202 5182 G C -0.594 174.307 174.900 0.001 0.000 0.727 5182 G CA -0.490 44.628 45.100 0.030 0.000 0.670 5182 G HN 0.027 nan 8.290 nan 0.000 0.442 5183 L N -0.370 120.853 121.223 -0.001 0.000 2.303 5183 L HA 0.807 5.147 4.340 0.000 0.000 0.256 5183 L C -0.709 176.031 176.870 -0.217 0.000 1.034 5183 L CA -1.483 53.262 54.840 -0.158 0.000 0.832 5183 L CB 2.692 44.589 42.059 -0.271 0.000 1.403 5183 L HN -0.135 nan 8.230 nan 0.000 0.419 5184 V N 0.829 120.505 119.914 -0.397 0.000 2.482 5184 V HA 0.445 4.565 4.120 0.000 0.000 0.295 5184 V C -1.280 174.574 176.094 -0.400 0.000 1.026 5184 V CA -0.578 61.565 62.300 -0.261 0.000 0.856 5184 V CB 1.372 33.165 31.823 -0.050 0.000 1.001 5184 V HN 0.434 nan 8.190 nan 0.000 0.424 5185 Y N 2.130 122.285 120.300 -0.241 0.000 2.587 5185 Y HA 0.552 5.102 4.550 0.000 0.000 0.337 5185 Y C 0.546 176.221 175.900 -0.376 0.000 1.065 5185 Y CA -1.333 56.529 58.100 -0.396 0.000 1.126 5185 Y CB 1.302 39.232 38.460 -0.883 0.000 1.279 5185 Y HN 0.437 nan 8.280 nan 0.000 0.489 5186 N N 1.599 120.275 118.700 -0.042 0.000 2.589 5186 N HA 0.205 4.945 4.740 0.000 0.000 0.232 5186 N C -1.506 174.098 175.510 0.156 0.000 1.015 5186 N CA -0.226 52.852 53.050 0.048 0.000 0.931 5186 N CB 0.000 38.553 38.487 0.109 0.000 1.150 5186 N HN 0.601 nan 8.380 nan 0.000 0.512 5187 Y N -0.275 120.053 120.300 0.048 0.000 2.457 5187 Y HA 0.216 4.766 4.550 0.000 0.000 0.333 5187 Y C 0.660 176.578 175.900 0.029 0.000 1.119 5187 Y CA -0.973 57.118 58.100 -0.016 0.000 1.143 5187 Y CB 1.935 40.279 38.460 -0.193 0.000 1.230 5187 Y HN 0.233 nan 8.280 nan 0.000 0.469 5188 D N 3.016 123.544 120.400 0.212 0.000 3.133 5188 D HA 0.148 4.788 4.640 0.000 0.000 0.288 5188 D C -0.847 175.539 176.300 0.144 0.000 1.346 5188 D CA -0.132 53.971 54.000 0.173 0.000 0.934 5188 D CB -0.207 40.693 40.800 0.166 0.000 1.042 5188 D HN 0.216 nan 8.370 nan 0.000 0.506 5189 F N 2.420 122.278 119.950 -0.152 0.000 2.563 5189 F HA 0.144 4.671 4.527 0.000 0.000 0.363 5189 F C -1.087 174.723 175.800 0.017 0.000 1.123 5189 F CA -1.682 56.232 58.000 -0.142 0.000 1.307 5189 F CB 0.046 38.970 39.000 -0.128 0.000 1.115 5189 F HN 0.128 nan 8.300 nan 0.000 0.592 5190 P HA 0.018 nan 4.420 nan 0.000 0.271 5190 P C -0.715 176.699 177.300 0.191 0.000 1.233 5190 P CA -0.307 62.864 63.100 0.118 0.000 0.789 5190 P CB 0.580 32.317 31.700 0.061 0.000 0.951 5191 E N 0.102 120.417 120.200 0.192 0.000 2.373 5191 E HA 0.048 4.398 4.350 0.000 0.000 0.267 5191 E C -0.401 176.385 176.600 0.309 0.000 1.032 5191 E CA -0.163 56.401 56.400 0.274 0.000 0.889 5191 E CB 0.068 29.873 29.700 0.175 0.000 0.984 5191 E HN 0.332 nan 8.360 nan 0.000 0.425 5192 Y N 0.839 121.181 120.300 0.071 0.000 2.713 5192 Y HA 0.138 4.688 4.550 0.000 0.000 0.341 5192 Y C 1.481 177.448 175.900 0.112 0.000 1.167 5192 Y CA 0.726 58.883 58.100 0.096 0.000 1.503 5192 Y CB 0.004 38.391 38.460 -0.121 0.000 1.199 5192 Y HN 0.825 nan 8.280 nan 0.000 0.525 5193 G N 1.848 110.803 108.800 0.259 0.000 2.131 5193 G HA2 -0.053 3.907 3.960 0.000 0.000 0.223 5193 G HA3 -0.053 3.907 3.960 0.000 0.000 0.223 5193 G C 0.342 175.316 174.900 0.122 0.000 0.990 5193 G CA -0.010 45.194 45.100 0.173 0.000 0.671 5193 G HN 1.225 nan 8.290 nan 0.000 0.521 5194 A N -0.208 122.685 122.820 0.123 0.000 2.676 5194 A HA 0.739 5.059 4.320 0.000 0.000 0.258 5194 A C 0.640 178.270 177.584 0.077 0.000 0.898 5194 A CA 0.150 52.241 52.037 0.089 0.000 1.087 5194 A CB 0.025 19.080 19.000 0.091 0.000 1.214 5194 A HN 0.428 nan 8.150 nan 0.000 0.474 5195 M N 0.609 120.252 119.600 0.071 0.000 2.232 5195 M HA 0.269 4.749 4.480 0.000 0.000 0.321 5195 M C 0.088 176.407 176.300 0.031 0.000 1.101 5195 M CA 1.013 56.343 55.300 0.050 0.000 1.181 5195 M CB 0.555 33.179 32.600 0.040 0.000 1.432 5195 M HN 0.273 nan 8.290 nan 0.000 0.457 5196 K N 1.514 121.926 120.400 0.020 0.000 2.532 5196 K HA 0.342 4.662 4.320 0.000 0.000 0.265 5196 K C -2.149 174.444 176.600 -0.011 0.000 0.948 5196 K CA -1.529 54.763 56.287 0.008 0.000 0.842 5196 K CB 1.963 34.472 32.500 0.015 0.000 1.392 5196 K HN 0.315 nan 8.250 nan 0.000 0.436 5197 P HA -0.035 nan 4.420 nan 0.000 0.251 5197 P C 0.518 177.774 177.300 -0.073 0.000 1.251 5197 P CA 0.431 63.501 63.100 -0.051 0.000 0.763 5197 P CB -0.121 31.551 31.700 -0.046 0.000 1.067 5198 G N -0.056 108.716 108.800 -0.045 0.000 3.210 5198 G HA2 0.339 4.299 3.960 0.000 0.000 0.220 5198 G HA3 0.339 4.299 3.960 0.000 0.000 0.220 5198 G C 0.586 175.461 174.900 -0.043 0.000 1.200 5198 G CA 0.473 45.545 45.100 -0.046 0.000 0.834 5198 G HN 0.577 nan 8.290 nan 0.000 0.524 5199 A N -1.207 121.565 122.820 -0.081 0.000 6.624 5199 A HA -0.041 4.279 4.320 0.000 0.000 0.226 5199 A C 0.787 178.485 177.584 0.190 0.000 2.318 5199 A CA 0.387 52.387 52.037 -0.062 0.000 0.686 5199 A CB -1.585 17.238 19.000 -0.294 0.000 0.893 5199 A HN 1.347 nan 8.150 nan 0.000 0.362 5200 F N -1.978 118.105 119.950 0.221 0.000 3.074 5200 F HA -0.089 4.438 4.527 0.000 0.000 0.289 5200 F C 1.195 176.606 175.800 -0.648 0.000 0.863 5200 F CA 1.270 59.028 58.000 -0.404 0.000 1.121 5200 F CB -0.917 37.704 39.000 -0.631 0.000 1.169 5200 F HN 2.407 nan 8.300 nan 0.000 0.570 5201 G N 0.579 109.367 108.800 -0.018 0.000 2.927 5201 G HA2 0.115 4.075 3.960 0.000 0.000 0.234 5201 G HA3 0.115 4.075 3.960 0.000 0.000 0.234 5201 G C -0.390 174.590 174.900 0.132 0.000 3.444 5201 G CA -0.166 44.983 45.100 0.083 0.000 0.715 5201 G HN 0.302 nan 8.290 nan 0.000 0.422 5202 D N 0.399 120.952 120.400 0.255 0.000 1.989 5202 D HA 0.158 4.798 4.640 0.000 0.000 0.259 5202 D C 1.431 177.809 176.300 0.130 0.000 0.992 5202 D CA 0.780 54.904 54.000 0.207 0.000 0.912 5202 D CB 0.308 41.361 40.800 0.421 0.000 1.083 5202 D HN 0.390 nan 8.370 nan 0.000 0.441 5203 I N 1.417 122.056 120.570 0.114 0.000 2.317 5203 I HA 0.147 4.317 4.170 0.000 0.000 0.286 5203 I C -0.305 175.824 176.117 0.020 0.000 1.119 5203 I CA -0.350 60.843 61.300 -0.178 0.000 1.228 5203 I CB 0.087 37.621 38.000 -0.776 0.000 1.476 5203 I HN 0.060 nan 8.210 nan 0.000 0.514 5204 Q N 3.657 123.403 119.800 -0.090 0.000 2.373 5204 Q HA 0.633 4.973 4.340 0.000 0.000 0.255 5204 Q C -0.064 175.622 176.000 -0.524 0.000 0.980 5204 Q CA -0.282 55.340 55.803 -0.303 0.000 0.882 5204 Q CB 1.779 30.182 28.738 -0.559 0.000 1.249 5204 Q HN 0.748 nan 8.270 nan 0.000 0.438 5205 A N 1.147 123.697 122.820 -0.450 0.000 2.479 5205 A HA 0.455 4.775 4.320 0.000 0.000 0.296 5205 A C 0.515 178.019 177.584 -0.134 0.000 1.121 5205 A CA -0.632 51.233 52.037 -0.287 0.000 0.743 5205 A CB 1.435 20.373 19.000 -0.103 0.000 1.323 5205 A HN 0.717 nan 8.150 nan 0.000 0.415 5206 T N 0.771 115.357 114.554 0.054 0.000 2.701 5206 T HA 0.041 4.391 4.350 0.000 0.000 0.263 5206 T C 1.113 175.880 174.700 0.113 0.000 1.040 5206 T CA 2.071 64.295 62.100 0.207 0.000 1.147 5206 T CB -0.290 68.677 68.868 0.165 0.000 0.865 5206 T HN 1.188 nan 8.240 nan 0.000 0.426 5207 S N -1.142 114.579 115.700 0.035 0.000 3.121 5207 S HA 0.504 4.974 4.470 0.000 0.000 0.324 5207 S C 0.840 175.413 174.600 -0.044 0.000 1.192 5207 S CA -0.840 57.358 58.200 -0.003 0.000 0.937 5207 S CB 0.536 63.747 63.200 0.018 0.000 1.336 5207 S HN 0.093 nan 8.310 nan 0.000 0.664 5208 L N 0.568 121.775 121.223 -0.026 0.000 2.131 5208 L HA 0.170 4.510 4.340 0.000 0.000 0.206 5208 L C 0.710 177.606 176.870 0.043 0.000 1.087 5208 L CA 1.015 55.858 54.840 0.004 0.000 0.767 5208 L CB -0.408 41.671 42.059 0.032 0.000 0.917 5208 L HN 0.681 nan 8.230 nan 0.000 0.441 5209 T N 0.211 114.785 114.554 0.033 0.000 3.427 5209 T HA 0.227 4.577 4.350 0.000 0.000 0.306 5209 T C 0.271 174.991 174.700 0.034 0.000 1.733 5209 T CA -0.329 61.794 62.100 0.038 0.000 1.599 5209 T CB 0.397 69.285 68.868 0.034 0.000 0.964 5209 T HN 0.240 nan 8.240 nan 0.000 0.701 5210 S N 0.944 116.665 115.700 0.034 0.000 2.719 5210 S HA 0.650 5.120 4.470 0.000 0.000 0.285 5210 S C 0.227 174.847 174.600 0.033 0.000 1.137 5210 S CA -0.805 57.415 58.200 0.032 0.000 1.012 5210 S CB 1.725 64.940 63.200 0.026 0.000 1.134 5210 S HN 0.362 nan 8.310 nan 0.000 0.544 5211 K N -0.367 120.051 120.400 0.031 0.000 3.017 5211 K HA 0.282 4.602 4.320 0.000 0.000 0.178 5211 K C -1.716 174.899 176.600 0.024 0.000 1.103 5211 K CA -0.058 56.247 56.287 0.030 0.000 1.084 5211 K CB 0.508 33.026 32.500 0.030 0.000 0.711 5211 K HN 0.542 nan 8.250 nan 0.000 0.416 5212 D N 1.399 121.811 120.400 0.020 0.000 2.478 5212 D HA 0.313 4.953 4.640 0.000 0.000 0.240 5212 D C -1.000 175.298 176.300 -0.003 0.000 1.364 5212 D CA -0.219 53.790 54.000 0.016 0.000 0.987 5212 D CB 1.287 42.106 40.800 0.033 0.000 1.328 5212 D HN 0.050 nan 8.370 nan 0.000 0.584 5213 L N 2.314 123.525 121.223 -0.020 0.000 2.313 5213 L HA 0.702 5.042 4.340 0.000 0.000 0.268 5213 L C -0.069 176.770 176.870 -0.051 0.000 1.010 5213 L CA -0.897 53.908 54.840 -0.058 0.000 0.814 5213 L CB 2.032 44.042 42.059 -0.082 0.000 1.304 5213 L HN 0.217 nan 8.230 nan 0.000 0.441 5214 I N 0.805 121.328 120.570 -0.079 0.000 2.722 5214 I HA 0.761 4.931 4.170 0.000 0.000 0.292 5214 I C -0.673 175.401 176.117 -0.071 0.000 1.267 5214 I CA -0.337 60.937 61.300 -0.043 0.000 1.036 5214 I CB 2.135 40.141 38.000 0.011 0.000 1.281 5214 I HN 0.762 nan 8.210 nan 0.000 0.423 5215 A N 3.529 126.318 122.820 -0.052 0.000 2.483 5215 A HA 0.876 5.196 4.320 0.000 0.000 0.294 5215 A C -1.366 176.198 177.584 -0.034 0.000 1.077 5215 A CA -0.378 51.623 52.037 -0.060 0.000 0.633 5215 A CB 1.763 20.685 19.000 -0.131 0.000 1.318 5215 A HN 0.871 nan 8.150 nan 0.000 0.455 5216 S N -0.691 114.989 115.700 -0.033 0.000 2.548 5216 S HA 0.385 4.855 4.470 0.000 0.000 0.168 5216 S C -0.480 174.103 174.600 -0.027 0.000 1.068 5216 S CA 0.269 58.456 58.200 -0.021 0.000 1.129 5216 S CB 0.026 63.224 63.200 -0.002 0.000 1.435 5216 S HN 1.019 nan 8.310 nan 0.000 0.410 5217 T N 1.094 115.625 114.554 -0.038 0.000 3.330 5217 T HA 0.242 4.592 4.350 0.000 0.000 0.249 5217 T C 0.117 174.799 174.700 -0.031 0.000 0.980 5217 T CA -0.034 62.045 62.100 -0.035 0.000 0.920 5217 T CB -0.746 68.103 68.868 -0.032 0.000 1.065 5217 T HN 0.717 nan 8.240 nan 0.000 0.588 5218 D N 1.066 121.450 120.400 -0.027 0.000 2.708 5218 D HA -0.154 4.486 4.640 0.000 0.000 0.236 5218 D C -0.300 175.984 176.300 -0.027 0.000 1.146 5218 D CA 0.316 54.302 54.000 -0.024 0.000 0.662 5218 D CB -1.570 39.214 40.800 -0.027 0.000 1.059 5218 D HN 0.551 nan 8.370 nan 0.000 0.428 5219 I N 0.554 121.103 120.570 -0.035 0.000 2.496 5219 I HA 0.191 4.361 4.170 0.000 0.000 0.285 5219 I C 1.007 177.084 176.117 -0.066 0.000 1.080 5219 I CA 0.163 61.429 61.300 -0.057 0.000 1.404 5219 I CB 0.802 38.754 38.000 -0.080 0.000 1.403 5219 I HN -0.089 nan 8.210 nan 0.000 0.539 5220 R N 6.499 126.954 120.500 -0.075 0.000 2.538 5220 R HA 0.532 4.872 4.340 0.000 0.000 0.292 5220 R C -1.307 174.949 176.300 -0.073 0.000 1.008 5220 R CA -0.890 55.179 56.100 -0.052 0.000 0.896 5220 R CB 2.107 32.405 30.300 -0.003 0.000 1.187 5220 R HN 0.511 nan 8.270 nan 0.000 0.440 5221 L N 4.657 125.851 121.223 -0.049 0.000 2.349 5221 L HA 0.422 4.762 4.340 0.000 0.000 0.275 5221 L C -0.193 176.840 176.870 0.271 0.000 1.115 5221 L CA -0.354 54.538 54.840 0.086 0.000 0.820 5221 L CB 0.440 42.635 42.059 0.227 0.000 1.135 5221 L HN 0.387 nan 8.230 nan 0.000 0.445 5222 L N 3.247 124.655 121.223 0.309 0.000 2.346 5222 L HA 0.434 4.774 4.340 0.000 0.000 0.274 5222 L C -0.062 176.580 176.870 -0.380 0.000 1.007 5222 L CA -0.944 53.897 54.840 0.003 0.000 0.818 5222 L CB 1.907 43.985 42.059 0.032 0.000 1.284 5222 L HN 0.529 nan 8.230 nan 0.000 0.424 5223 K N 3.779 123.808 120.400 -0.619 0.000 2.378 5223 K HA 0.203 4.523 4.320 0.000 0.000 0.288 5223 K C -2.101 174.225 176.600 -0.457 0.000 1.057 5223 K CA -1.321 54.434 56.287 -0.885 0.000 0.971 5223 K CB 0.125 32.265 32.500 -0.600 0.000 0.975 5223 K HN 0.341 nan 8.250 nan 0.000 0.475 5224 P HA -0.007 nan 4.420 nan 0.000 0.272 5224 P C -0.682 176.484 177.300 -0.222 0.000 1.240 5224 P CA -0.468 62.493 63.100 -0.232 0.000 0.791 5224 P CB 0.870 32.469 31.700 -0.169 0.000 0.978 5225 S N -0.647 114.970 115.700 -0.139 0.000 2.578 5225 S HA 0.593 5.063 4.470 0.000 0.000 0.283 5225 S C 0.158 174.700 174.600 -0.096 0.000 1.195 5225 S CA -0.927 57.206 58.200 -0.112 0.000 1.050 5225 S CB 1.083 64.250 63.200 -0.056 0.000 1.012 5225 S HN 0.635 nan 8.310 nan 0.000 0.511 5226 A N 2.205 124.970 122.820 -0.092 0.000 2.475 5226 A HA 0.459 4.779 4.320 0.000 0.000 0.293 5226 A C 0.715 178.364 177.584 0.108 0.000 1.252 5226 A CA -0.243 51.791 52.037 -0.004 0.000 0.920 5226 A CB -0.484 18.524 19.000 0.013 0.000 1.125 5226 A HN 0.990 nan 8.150 nan 0.000 0.528 5227 K N 1.374 121.880 120.400 0.177 0.000 3.098 5227 K HA 0.135 4.455 4.320 0.000 0.000 0.258 5227 K C -0.442 176.234 176.600 0.127 0.000 2.409 5227 K CA -0.287 56.086 56.287 0.143 0.000 1.470 5227 K CB 0.381 32.950 32.500 0.114 0.000 2.673 5227 K HN 0.637 nan 8.250 nan 0.000 0.463 5228 N N 1.230 119.996 118.700 0.111 0.000 2.225 5228 N HA 0.244 4.984 4.740 0.000 0.000 0.298 5228 N C -0.929 174.466 175.510 -0.192 0.000 1.076 5228 N CA -0.356 52.650 53.050 -0.074 0.000 0.792 5228 N CB 2.957 41.363 38.487 -0.134 0.000 1.498 5228 N HN -0.143 nan 8.380 nan 0.000 0.474 5229 V N 3.974 123.729 119.914 -0.266 0.000 2.442 5229 V HA -0.016 4.104 4.120 0.000 0.000 0.272 5229 V C 0.135 176.016 176.094 -0.355 0.000 0.989 5229 V CA 0.721 62.915 62.300 -0.176 0.000 1.123 5229 V CB -1.273 30.431 31.823 -0.199 0.000 1.008 5229 V HN 0.518 nan 8.190 nan 0.000 0.469 5230 H N 2.825 121.939 119.070 0.074 0.000 2.941 5230 H HA 0.641 5.197 4.556 0.000 0.000 0.344 5230 H C -0.722 174.570 175.328 -0.060 0.000 1.235 5230 H CA -0.883 55.158 56.048 -0.012 0.000 1.149 5230 H CB 2.473 32.214 29.762 -0.035 0.000 1.885 5230 H HN 0.260 nan 8.280 nan 0.000 0.558 5231 V N 2.783 122.694 119.914 -0.005 0.000 2.462 5231 V HA 0.168 4.288 4.120 0.000 0.000 0.257 5231 V C -2.337 173.419 176.094 -0.563 0.000 0.944 5231 V CA -1.165 60.971 62.300 -0.274 0.000 0.903 5231 V CB 0.689 32.364 31.823 -0.246 0.000 1.128 5231 V HN 0.506 nan 8.190 nan 0.000 0.486 5232 P HA 0.443 nan 4.420 nan 0.000 0.282 5232 P C -1.216 175.901 177.300 -0.306 0.000 1.274 5232 P CA 0.024 62.926 63.100 -0.330 0.000 0.770 5232 P CB 0.808 32.406 31.700 -0.171 0.000 0.867 5233 Y N -0.183 120.113 120.300 -0.006 0.000 2.576 5233 Y HA 0.360 4.910 4.550 0.000 0.000 0.346 5233 Y C 0.704 176.598 175.900 -0.011 0.000 1.018 5233 Y CA -1.095 57.005 58.100 0.000 0.000 1.050 5233 Y CB 2.408 40.877 38.460 0.015 0.000 1.280 5233 Y HN 0.117 nan 8.280 nan 0.000 0.474 5234 T N 2.602 117.260 114.554 0.175 0.000 3.029 5234 T HA 0.271 4.621 4.350 0.000 0.000 0.346 5234 T C -0.573 174.160 174.700 0.054 0.000 1.211 5234 T CA -0.630 61.516 62.100 0.077 0.000 1.009 5234 T CB 0.026 68.919 68.868 0.042 0.000 1.084 5234 T HN 0.430 nan 8.240 nan 0.000 0.536 5235 Q N 1.554 121.386 119.800 0.052 0.000 2.227 5235 Q HA 0.701 5.041 4.340 0.000 0.000 0.245 5235 Q C -0.028 175.975 176.000 0.005 0.000 0.926 5235 Q CA -0.664 55.156 55.803 0.029 0.000 0.895 5235 Q CB 1.217 29.983 28.738 0.047 0.000 1.230 5235 Q HN 0.717 nan 8.270 nan 0.000 0.450 5236 A N 1.276 124.090 122.820 -0.010 0.000 2.366 5236 A HA 0.557 4.877 4.320 0.000 0.000 0.272 5236 A C 0.198 177.763 177.584 -0.033 0.000 1.135 5236 A CA -0.136 51.882 52.037 -0.032 0.000 0.804 5236 A CB -0.202 18.771 19.000 -0.046 0.000 1.064 5236 A HN 0.864 nan 8.150 nan 0.000 0.499 5237 S N 2.339 118.008 115.700 -0.053 0.000 2.525 5237 S HA 0.421 4.891 4.470 0.000 0.000 0.285 5237 S C 0.829 175.379 174.600 -0.085 0.000 1.283 5237 S CA 0.229 58.394 58.200 -0.058 0.000 1.072 5237 S CB -0.375 62.779 63.200 -0.077 0.000 0.867 5237 S HN 1.778 nan 8.310 nan 0.000 0.492 5238 S N 2.559 118.233 115.700 -0.044 0.000 2.573 5238 S HA 0.275 4.745 4.470 0.000 0.000 0.297 5238 S C 1.349 175.832 174.600 -0.194 0.000 1.280 5238 S CA -0.212 57.954 58.200 -0.056 0.000 1.061 5238 S CB 0.635 63.868 63.200 0.055 0.000 0.812 5238 S HN 1.108 nan 8.310 nan 0.000 0.500 5239 G N 0.907 109.486 108.800 -0.368 0.000 2.650 5239 G HA2 0.046 4.006 3.960 0.000 0.000 0.214 5239 G HA3 0.046 4.006 3.960 0.000 0.000 0.214 5239 G C 0.642 175.225 174.900 -0.528 0.000 1.136 5239 G CA -0.230 44.507 45.100 -0.606 0.000 0.789 5239 G HN 0.746 nan 8.290 nan 0.000 0.536 5240 F N 0.354 120.296 119.950 -0.013 0.000 2.661 5240 F HA 0.156 4.683 4.527 0.000 0.000 0.298 5240 F C 2.501 178.327 175.800 0.043 0.000 1.137 5240 F CA 0.499 58.565 58.000 0.110 0.000 1.454 5240 F CB 0.378 39.422 39.000 0.073 0.000 1.103 5240 F HN 0.184 nan 8.300 nan 0.000 0.577 5241 E N -0.248 120.001 120.200 0.082 0.000 2.400 5241 E HA 0.011 4.362 4.350 0.000 0.000 0.195 5241 E C 1.915 178.495 176.600 -0.034 0.000 1.012 5241 E CA 0.343 56.764 56.400 0.035 0.000 0.875 5241 E CB 0.139 29.840 29.700 0.002 0.000 0.859 5241 E HN 0.472 nan 8.360 nan 0.000 0.498 5242 M N -1.353 118.149 119.600 -0.163 0.000 2.492 5242 M HA 0.054 4.534 4.480 0.000 0.000 0.255 5242 M C 1.032 177.184 176.300 -0.247 0.000 1.139 5242 M CA 0.446 55.582 55.300 -0.273 0.000 1.096 5242 M CB 0.136 32.458 32.600 -0.464 0.000 1.360 5242 M HN 0.143 nan 8.290 nan 0.000 0.480 5243 W N 1.418 122.663 121.300 -0.092 0.000 3.077 5243 W HA -0.001 4.659 4.660 0.000 0.000 0.245 5243 W C 1.397 177.879 176.519 -0.062 0.000 1.316 5243 W CA 0.111 57.377 57.345 -0.132 0.000 1.537 5243 W CB 0.186 29.596 29.460 -0.082 0.000 1.131 5243 W HN 0.101 nan 8.180 nan 0.000 0.695 5244 K N 0.005 120.524 120.400 0.198 0.000 2.458 5244 K HA 0.042 4.362 4.320 0.000 0.000 0.194 5244 K C 0.834 177.493 176.600 0.097 0.000 1.024 5244 K CA 0.318 56.687 56.287 0.138 0.000 1.108 5244 K CB 0.105 32.672 32.500 0.112 0.000 0.846 5244 K HN 0.121 nan 8.250 nan 0.000 0.518 5245 N N 0.345 119.100 118.700 0.092 0.000 2.612 5245 N HA -0.025 4.715 4.740 0.000 0.000 0.224 5245 N C 0.813 176.377 175.510 0.091 0.000 1.051 5245 N CA 0.427 53.514 53.050 0.062 0.000 0.889 5245 N CB 0.110 38.602 38.487 0.008 0.000 1.449 5245 N HN -0.009 nan 8.380 nan 0.000 0.442 5246 N N 1.252 120.042 118.700 0.150 0.000 2.362 5246 N HA 0.042 4.783 4.740 0.000 0.000 0.204 5246 N C 1.083 176.692 175.510 0.165 0.000 1.166 5246 N CA 0.029 53.195 53.050 0.193 0.000 0.831 5246 N CB 0.039 38.712 38.487 0.311 0.000 1.008 5246 N HN 0.202 nan 8.380 nan 0.000 0.472 5247 S N -1.090 114.683 115.700 0.121 0.000 2.353 5247 S HA -0.045 4.425 4.470 0.000 0.000 0.222 5247 S C 1.548 176.227 174.600 0.132 0.000 1.035 5247 S CA 1.010 59.237 58.200 0.045 0.000 1.025 5247 S CB -0.896 62.303 63.200 -0.001 0.000 0.902 5247 S HN 0.449 nan 8.310 nan 0.000 0.440 5248 G N 2.664 111.552 108.800 0.147 0.000 2.583 5248 G HA2 -0.373 3.587 3.960 0.000 0.000 0.292 5248 G HA3 -0.373 3.587 3.960 0.000 0.000 0.292 5248 G C -0.240 174.785 174.900 0.208 0.000 1.203 5248 G CA 0.134 45.330 45.100 0.160 0.000 0.987 5248 G HN 0.801 nan 8.290 nan 0.000 0.554 5249 R N 1.969 122.583 120.500 0.191 0.000 3.924 5249 R HA 0.074 4.414 4.340 0.000 0.000 0.279 5249 R C -1.235 175.208 176.300 0.237 0.000 0.562 5249 R CA 0.424 56.628 56.100 0.174 0.000 1.007 5249 R CB 0.224 30.615 30.300 0.152 0.000 0.920 5249 R HN 0.474 nan 8.270 nan 0.000 0.332 5250 P HA -0.026 nan 4.420 nan 0.000 0.245 5250 P C 0.625 177.821 177.300 -0.172 0.000 1.203 5250 P CA 0.356 63.432 63.100 -0.039 0.000 0.792 5250 P CB 0.383 32.077 31.700 -0.011 0.000 0.997 5251 L N -2.226 118.962 121.223 -0.058 0.000 4.252 5251 L HA -0.381 3.959 4.340 0.000 0.000 0.370 5251 L C 2.354 179.181 176.870 -0.071 0.000 0.743 5251 L CA 2.138 56.941 54.840 -0.061 0.000 2.767 5251 L CB -2.003 40.020 42.059 -0.060 0.000 0.809 5251 L HN 0.061 nan 8.230 nan 0.000 0.696 5252 Q N -0.121 119.620 119.800 -0.098 0.000 2.170 5252 Q HA -0.211 4.129 4.340 0.000 0.000 0.203 5252 Q C 1.699 177.668 176.000 -0.052 0.000 0.976 5252 Q CA 2.023 57.782 55.803 -0.073 0.000 0.858 5252 Q CB -0.073 28.613 28.738 -0.088 0.000 0.907 5252 Q HN 0.647 nan 8.270 nan 0.000 0.433 5253 E N -0.299 119.874 120.200 -0.045 0.000 2.250 5253 E HA -0.017 4.333 4.350 0.000 0.000 0.192 5253 E C 0.453 177.034 176.600 -0.032 0.000 0.986 5253 E CA 0.633 57.014 56.400 -0.031 0.000 0.849 5253 E CB 0.444 30.134 29.700 -0.017 0.000 0.797 5253 E HN 0.095 nan 8.360 nan 0.000 0.482 5254 T N 1.656 116.191 114.554 -0.032 0.000 3.256 5254 T HA 0.329 4.679 4.350 0.000 0.000 0.237 5254 T C -0.084 174.590 174.700 -0.044 0.000 0.908 5254 T CA -0.242 61.838 62.100 -0.033 0.000 0.966 5254 T CB 0.184 69.042 68.868 -0.017 0.000 1.134 5254 T HN 0.068 nan 8.240 nan 0.000 0.573 5255 A N 3.913 126.703 122.820 -0.049 0.000 2.444 5255 A HA 0.430 4.750 4.320 0.000 0.000 0.273 5255 A C -1.873 175.686 177.584 -0.042 0.000 1.136 5255 A CA -1.278 50.729 52.037 -0.050 0.000 0.799 5255 A CB -0.031 18.940 19.000 -0.049 0.000 1.081 5255 A HN 0.251 nan 8.150 nan 0.000 0.509 5256 P HA 0.317 nan 4.420 nan 0.000 0.276 5256 P C -0.630 176.801 177.300 0.219 0.000 1.264 5256 P CA 0.050 63.197 63.100 0.077 0.000 0.769 5256 P CB -0.136 31.666 31.700 0.171 0.000 0.840 5257 F N 2.424 122.317 119.950 -0.093 0.000 3.056 5257 F HA -0.154 4.373 4.527 0.000 0.000 0.301 5257 F C 1.488 177.219 175.800 -0.116 0.000 0.907 5257 F CA 1.129 59.065 58.000 -0.105 0.000 1.113 5257 F CB -2.496 36.426 39.000 -0.130 0.000 1.123 5257 F HN 0.668 nan 8.300 nan 0.000 0.661 5258 G N -1.019 107.778 108.800 -0.006 0.000 2.166 5258 G HA2 -0.392 3.568 3.960 0.000 0.000 0.260 5258 G HA3 -0.392 3.568 3.960 0.000 0.000 0.260 5258 G C 0.803 175.681 174.900 -0.036 0.000 0.986 5258 G CA 0.261 45.345 45.100 -0.026 0.000 0.683 5258 G HN 1.068 nan 8.290 nan 0.000 0.527 5259 c N -0.016 118.560 118.600 -0.039 0.000 2.820 5259 c HA 0.636 5.206 4.570 0.000 0.000 0.359 5259 c C 1.089 175.146 174.090 -0.055 0.000 1.357 5259 c CA 0.491 56.775 56.329 -0.075 0.000 2.197 5259 c CB 0.246 42.699 42.510 -0.095 0.000 2.569 5259 c HN 0.594 nan 8.230 nan 0.000 0.753 5260 K N 1.123 121.495 120.400 -0.047 0.000 2.263 5260 K HA 0.793 5.113 4.320 0.000 0.000 0.249 5260 K C -1.405 175.202 176.600 0.011 0.000 1.076 5260 K CA -0.616 55.657 56.287 -0.022 0.000 0.884 5260 K CB 1.481 33.971 32.500 -0.017 0.000 1.394 5260 K HN 0.630 nan 8.250 nan 0.000 0.476 5261 I N 0.533 121.124 120.570 0.035 0.000 2.722 5261 I HA 0.348 4.518 4.170 0.000 0.000 0.292 5261 I C -1.134 175.017 176.117 0.057 0.000 1.267 5261 I CA -0.867 60.494 61.300 0.102 0.000 1.036 5261 I CB 2.206 40.274 38.000 0.113 0.000 1.281 5261 I HN 0.699 nan 8.210 nan 0.000 0.423 5262 A N 4.384 127.241 122.820 0.061 0.000 2.281 5262 A HA 0.776 5.096 4.320 0.000 0.000 0.329 5262 A C 0.483 178.060 177.584 -0.013 0.000 1.122 5262 A CA -0.423 51.622 52.037 0.013 0.000 0.850 5262 A CB 1.329 20.333 19.000 0.006 0.000 1.207 5262 A HN 0.490 nan 8.150 nan 0.000 0.495 5263 V N 0.927 120.829 119.914 -0.020 0.000 2.339 5263 V HA -0.082 4.038 4.120 0.000 0.000 0.234 5263 V C 2.100 178.170 176.094 -0.039 0.000 1.053 5263 V CA 1.473 63.756 62.300 -0.028 0.000 1.042 5263 V CB -0.982 30.831 31.823 -0.015 0.000 0.678 5263 V HN 0.883 nan 8.190 nan 0.000 0.475 5264 N N 0.998 119.680 118.700 -0.031 0.000 2.084 5264 N HA -0.093 4.647 4.740 0.000 0.000 0.190 5264 N C -0.403 175.078 175.510 -0.048 0.000 1.030 5264 N CA 2.073 55.103 53.050 -0.034 0.000 0.849 5264 N CB -1.315 37.158 38.487 -0.023 0.000 1.012 5264 N HN 0.490 nan 8.380 nan 0.000 0.423 5265 P HA 0.234 nan 4.420 nan 0.000 0.261 5265 P C -0.052 177.190 177.300 -0.095 0.000 1.268 5265 P CA 0.190 63.254 63.100 -0.059 0.000 0.833 5265 P CB 0.561 32.238 31.700 -0.038 0.000 1.231 5266 L N -1.070 120.086 121.223 -0.113 0.000 3.677 5266 L HA -0.221 4.119 4.340 0.000 0.000 0.464 5266 L C 0.335 177.100 176.870 -0.174 0.000 1.278 5266 L CA 0.353 55.067 54.840 -0.209 0.000 0.806 5266 L CB -1.763 40.084 42.059 -0.354 0.000 1.610 5266 L HN 0.184 nan 8.230 nan 0.000 0.867 5267 R N 0.403 120.903 120.500 -0.002 0.000 2.668 5267 R HA 0.802 5.142 4.340 0.000 0.000 0.279 5267 R C 0.157 176.583 176.300 0.210 0.000 0.976 5267 R CA 0.065 56.226 56.100 0.102 0.000 0.978 5267 R CB 1.564 31.890 30.300 0.044 0.000 1.133 5267 R HN 0.271 nan 8.270 nan 0.000 0.484 5268 A N 2.902 125.866 122.820 0.240 0.000 2.253 5268 A HA 0.464 4.784 4.320 0.000 0.000 0.316 5268 A C -0.698 176.930 177.584 0.072 0.000 1.327 5268 A CA -0.542 51.590 52.037 0.159 0.000 0.917 5268 A CB 0.682 19.768 19.000 0.144 0.000 1.162 5268 A HN 0.402 nan 8.150 nan 0.000 0.535 5269 V N 2.240 122.172 119.914 0.029 0.000 2.732 5269 V HA 0.379 4.499 4.120 0.000 0.000 0.310 5269 V C 0.319 176.390 176.094 -0.038 0.000 1.053 5269 V CA -0.507 61.791 62.300 -0.004 0.000 0.957 5269 V CB 1.383 33.203 31.823 -0.005 0.000 1.018 5269 V HN 0.981 nan 8.190 nan 0.000 0.452 5270 D N 0.582 120.953 120.400 -0.049 0.000 2.811 5270 D HA -0.180 4.460 4.640 0.000 0.000 0.231 5270 D C -0.090 176.143 176.300 -0.112 0.000 1.157 5270 D CA 0.730 54.691 54.000 -0.066 0.000 0.716 5270 D CB -0.807 39.963 40.800 -0.051 0.000 1.077 5270 D HN 0.654 nan 8.370 nan 0.000 0.428 5271 c N 2.071 120.563 118.600 -0.181 0.000 2.223 5271 c HA 0.412 4.982 4.570 0.000 0.000 0.324 5271 c C 1.151 174.888 174.090 -0.589 0.000 1.196 5271 c CA -0.985 55.118 56.329 -0.376 0.000 1.628 5271 c CB 0.258 42.498 42.510 -0.451 0.000 2.229 5271 c HN 0.383 nan 8.230 nan 0.000 0.486 5272 S N 3.093 118.528 115.700 -0.441 0.000 2.549 5272 S HA 0.469 4.939 4.470 0.000 0.000 0.279 5272 S C -0.424 173.819 174.600 -0.594 0.000 1.321 5272 S CA 0.148 58.125 58.200 -0.371 0.000 1.054 5272 S CB 0.769 63.875 63.200 -0.157 0.000 0.899 5272 S HN 0.774 nan 8.310 nan 0.000 0.497 5273 Y N 1.918 122.131 120.300 -0.144 0.000 2.811 5273 Y HA 0.527 5.077 4.550 0.000 0.000 0.117 5273 Y C 1.749 177.570 175.900 -0.131 0.000 0.894 5273 Y CA -0.428 57.573 58.100 -0.166 0.000 1.862 5273 Y CB -0.096 38.324 38.460 -0.067 0.000 1.207 5273 Y HN 0.788 nan 8.280 nan 0.000 0.259 5274 G N -0.222 108.667 108.800 0.147 0.000 3.387 5274 G HA2 0.310 4.270 3.960 0.000 0.000 0.194 5274 G HA3 0.310 4.270 3.960 0.000 0.000 0.194 5274 G C -1.106 173.808 174.900 0.024 0.000 1.417 5274 G CA -0.521 44.615 45.100 0.060 0.000 0.777 5274 G HN 0.213 nan 8.290 nan 0.000 0.721 5275 N N -0.193 118.512 118.700 0.007 0.000 2.225 5275 N HA 0.456 5.196 4.740 0.000 0.000 0.298 5275 N C -1.460 174.031 175.510 -0.031 0.000 1.076 5275 N CA -0.340 52.693 53.050 -0.030 0.000 0.792 5275 N CB 2.857 41.322 38.487 -0.036 0.000 1.498 5275 N HN 0.160 nan 8.380 nan 0.000 0.474 5276 I N 2.976 123.509 120.570 -0.060 0.000 2.371 5276 I HA 0.220 4.390 4.170 0.000 0.000 0.282 5276 I C -2.097 173.989 176.117 -0.052 0.000 1.031 5276 I CA -1.883 59.390 61.300 -0.045 0.000 1.180 5276 I CB 1.746 39.722 38.000 -0.041 0.000 1.336 5276 I HN 0.113 nan 8.210 nan 0.000 0.467 5277 P HA 0.207 nan 4.420 nan 0.000 0.273 5277 P C -0.399 176.898 177.300 -0.006 0.000 1.319 5277 P CA 0.204 63.292 63.100 -0.021 0.000 0.885 5277 P CB 0.321 32.014 31.700 -0.012 0.000 1.015 5278 I N 3.099 123.667 120.570 -0.004 0.000 2.353 5278 I HA 0.209 4.379 4.170 0.000 0.000 0.293 5278 I C 0.659 176.799 176.117 0.039 0.000 0.992 5278 I CA -0.198 61.114 61.300 0.020 0.000 1.268 5278 I CB 1.276 39.291 38.000 0.026 0.000 1.387 5278 I HN 0.319 nan 8.210 nan 0.000 0.478 5279 S N 7.064 122.791 115.700 0.045 0.000 2.594 5279 S HA 0.769 5.239 4.470 0.000 0.000 0.296 5279 S C -0.800 173.833 174.600 0.055 0.000 1.124 5279 S CA -0.766 57.466 58.200 0.053 0.000 1.011 5279 S CB 1.594 64.815 63.200 0.034 0.000 1.016 5279 S HN 0.450 nan 8.310 nan 0.000 0.485 5280 I N 1.758 122.370 120.570 0.070 0.000 2.533 5280 I HA 0.315 4.485 4.170 0.000 0.000 0.290 5280 I C -1.047 175.092 176.117 0.036 0.000 1.056 5280 I CA -0.750 60.577 61.300 0.045 0.000 1.057 5280 I CB 2.133 40.150 38.000 0.029 0.000 1.240 5280 I HN 0.571 nan 8.210 nan 0.000 0.423 5281 D N 7.558 127.963 120.400 0.007 0.000 2.551 5281 D HA 0.269 4.909 4.640 0.000 0.000 0.223 5281 D C 0.219 176.517 176.300 -0.003 0.000 1.144 5281 D CA 0.162 54.159 54.000 -0.005 0.000 1.025 5281 D CB 0.364 41.157 40.800 -0.013 0.000 1.085 5281 D HN 0.326 nan 8.370 nan 0.000 0.506 5282 I N 3.952 124.538 120.570 0.026 0.000 2.436 5282 I HA 0.067 4.237 4.170 0.000 0.000 0.289 5282 I C -1.551 174.627 176.117 0.101 0.000 1.083 5282 I CA -1.392 59.892 61.300 -0.026 0.000 1.372 5282 I CB 0.443 38.336 38.000 -0.179 0.000 1.408 5282 I HN -0.046 nan 8.210 nan 0.000 0.516 5283 P HA 0.094 nan 4.420 nan 0.000 0.277 5283 P C -0.087 177.297 177.300 0.139 0.000 1.276 5283 P CA -0.337 62.797 63.100 0.057 0.000 0.788 5283 P CB 0.735 32.441 31.700 0.008 0.000 1.114 5284 N N -0.026 118.710 118.700 0.060 0.000 2.244 5284 N HA -0.120 4.620 4.740 0.000 0.000 0.183 5284 N C 1.753 177.310 175.510 0.078 0.000 1.016 5284 N CA 1.414 54.473 53.050 0.014 0.000 0.866 5284 N CB -0.767 37.701 38.487 -0.032 0.000 0.980 5284 N HN 0.462 nan 8.380 nan 0.000 0.430 5285 A N 1.048 123.901 122.820 0.055 0.000 2.015 5285 A HA 0.114 4.434 4.320 0.000 0.000 0.219 5285 A C 2.324 179.924 177.584 0.025 0.000 1.163 5285 A CA 1.501 53.566 52.037 0.047 0.000 0.646 5285 A CB -0.379 18.636 19.000 0.024 0.000 0.806 5285 A HN 0.322 nan 8.150 nan 0.000 0.448 5286 A N -1.277 121.523 122.820 -0.033 0.000 2.016 5286 A HA 0.248 4.568 4.320 0.000 0.000 0.217 5286 A C 0.789 178.254 177.584 -0.199 0.000 1.162 5286 A CA 0.149 52.091 52.037 -0.158 0.000 0.662 5286 A CB -0.458 18.354 19.000 -0.313 0.000 0.812 5286 A HN 0.392 nan 8.150 nan 0.000 0.450 5287 F N 2.100 122.013 119.950 -0.062 0.000 2.666 5287 F HA 0.243 4.770 4.527 0.000 0.000 0.362 5287 F C 0.713 176.570 175.800 0.095 0.000 1.190 5287 F CA -0.637 57.349 58.000 -0.023 0.000 1.328 5287 F CB -0.633 38.258 39.000 -0.183 0.000 1.682 5287 F HN 0.220 nan 8.300 nan 0.000 0.623 5288 I N -0.883 119.791 120.570 0.175 0.000 2.836 5288 I HA 0.239 4.409 4.170 0.000 0.000 0.285 5288 I C 0.785 177.013 176.117 0.185 0.000 1.174 5288 I CA -0.765 60.631 61.300 0.161 0.000 1.405 5288 I CB 0.364 38.422 38.000 0.095 0.000 1.385 5288 I HN 0.439 nan 8.210 nan 0.000 0.594 5289 R N 2.126 122.715 120.500 0.148 0.000 2.979 5289 R HA -0.098 4.242 4.340 0.000 0.000 0.272 5289 R C -0.464 175.906 176.300 0.117 0.000 0.981 5289 R CA 0.438 56.607 56.100 0.116 0.000 0.653 5289 R CB -1.518 28.846 30.300 0.106 0.000 1.397 5289 R HN 0.987 nan 8.270 nan 0.000 0.416 5290 T N -0.429 114.173 114.554 0.080 0.000 2.701 5290 T HA 0.039 4.389 4.350 0.000 0.000 0.303 5290 T C 1.608 176.269 174.700 -0.065 0.000 1.030 5290 T CA 0.046 62.123 62.100 -0.039 0.000 1.010 5290 T CB 0.939 69.741 68.868 -0.110 0.000 1.007 5290 T HN 0.529 nan 8.240 nan 0.000 0.532 5291 S N -0.343 115.274 115.700 -0.138 0.000 2.555 5291 S HA -0.075 4.395 4.470 0.000 0.000 0.230 5291 S C 1.134 175.692 174.600 -0.069 0.000 0.978 5291 S CA 0.579 58.724 58.200 -0.092 0.000 0.934 5291 S CB -0.158 62.976 63.200 -0.111 0.000 0.766 5291 S HN 0.600 nan 8.310 nan 0.000 0.533 5292 D N 1.030 121.387 120.400 -0.072 0.000 2.333 5292 D HA 0.336 4.976 4.640 0.000 0.000 0.208 5292 D C 1.731 178.014 176.300 -0.028 0.000 0.984 5292 D CA 0.841 54.812 54.000 -0.048 0.000 0.873 5292 D CB 0.400 41.170 40.800 -0.050 0.000 0.935 5292 D HN 0.548 nan 8.370 nan 0.000 0.521 5293 A N 1.198 124.007 122.820 -0.020 0.000 1.997 5293 A HA 0.207 4.527 4.320 0.000 0.000 0.214 5293 A C -1.597 175.983 177.584 -0.008 0.000 1.458 5293 A CA -0.018 52.014 52.037 -0.008 0.000 0.692 5293 A CB -1.097 17.905 19.000 0.004 0.000 1.145 5293 A HN 0.087 nan 8.150 nan 0.000 0.515 5294 P HA 0.419 nan 4.420 nan 0.000 0.276 5294 P C -1.222 176.067 177.300 -0.018 0.000 1.230 5294 P CA 0.481 63.577 63.100 -0.007 0.000 0.776 5294 P CB 1.072 32.773 31.700 0.003 0.000 0.888 5295 L N 2.906 124.115 121.223 -0.023 0.000 2.574 5295 L HA 0.196 4.536 4.340 0.000 0.000 0.258 5295 L C -0.044 176.806 176.870 -0.034 0.000 1.520 5295 L CA -0.708 54.116 54.840 -0.026 0.000 0.775 5295 L CB 1.332 43.380 42.059 -0.018 0.000 1.028 5295 L HN 0.078 nan 8.230 nan 0.000 0.516 5296 V N 0.377 120.253 119.914 -0.064 0.000 2.740 5296 V HA 0.113 4.233 4.120 0.000 0.000 0.303 5296 V C 1.132 177.192 176.094 -0.056 0.000 1.054 5296 V CA 0.330 62.572 62.300 -0.097 0.000 1.106 5296 V CB 1.256 32.929 31.823 -0.250 0.000 0.957 5296 V HN 0.779 nan 8.190 nan 0.000 0.486 5297 S N 3.262 118.954 115.700 -0.013 0.000 2.389 5297 S HA 0.233 4.703 4.470 0.000 0.000 0.230 5297 S C 0.455 175.081 174.600 0.044 0.000 1.197 5297 S CA -0.383 57.828 58.200 0.018 0.000 1.092 5297 S CB -0.049 63.172 63.200 0.035 0.000 1.050 5297 S HN 0.662 nan 8.310 nan 0.000 0.466 5298 T N 1.860 116.454 114.554 0.067 0.000 2.867 5298 T HA 0.354 4.704 4.350 0.000 0.000 0.297 5298 T C -0.252 174.541 174.700 0.155 0.000 0.989 5298 T CA -0.219 61.932 62.100 0.084 0.000 1.159 5298 T CB 0.117 69.023 68.868 0.063 0.000 0.928 5298 T HN 0.416 nan 8.240 nan 0.000 0.538 5299 V N 5.386 125.401 119.914 0.168 0.000 2.465 5299 V HA 0.366 4.486 4.120 0.000 0.000 0.279 5299 V C 0.364 176.546 176.094 0.146 0.000 1.045 5299 V CA -0.427 62.035 62.300 0.271 0.000 0.938 5299 V CB 1.116 33.108 31.823 0.282 0.000 0.986 5299 V HN 0.752 nan 8.190 nan 0.000 0.467 5300 K N 3.098 123.552 120.400 0.089 0.000 2.328 5300 K HA 0.838 5.158 4.320 0.000 0.000 0.246 5300 K C -1.547 175.044 176.600 -0.015 0.000 0.955 5300 K CA -0.521 55.778 56.287 0.020 0.000 0.817 5300 K CB 2.141 34.636 32.500 -0.009 0.000 1.208 5300 K HN 0.661 nan 8.250 nan 0.000 0.432 5301 C N 1.251 120.549 119.300 -0.003 0.000 2.871 5301 C HA 0.397 4.857 4.460 0.000 0.000 0.378 5301 C C -1.084 173.903 174.990 -0.005 0.000 1.052 5301 C CA -0.919 58.096 59.018 -0.005 0.000 1.250 5301 C CB 1.342 29.102 27.740 0.034 0.000 1.689 5301 C HN 0.842 nan 8.230 nan 0.000 0.506 5302 E N 1.197 121.387 120.200 -0.017 0.000 2.356 5302 E HA 0.634 4.984 4.350 0.000 0.000 0.275 5302 E C -1.349 175.243 176.600 -0.012 0.000 0.904 5302 E CA -0.581 55.811 56.400 -0.014 0.000 0.757 5302 E CB 2.561 32.248 29.700 -0.023 0.000 1.232 5302 E HN 0.434 nan 8.360 nan 0.000 0.442 5303 V N 1.499 121.410 119.914 -0.005 0.000 2.732 5303 V HA 0.413 4.533 4.120 0.000 0.000 0.310 5303 V C 0.533 176.621 176.094 -0.009 0.000 1.053 5303 V CA -0.080 62.219 62.300 -0.001 0.000 0.957 5303 V CB 1.464 33.293 31.823 0.010 0.000 1.018 5303 V HN 0.957 nan 8.190 nan 0.000 0.452 5304 S N 1.680 117.374 115.700 -0.009 0.000 4.585 5304 S HA 0.281 4.751 4.470 0.000 0.000 0.155 5304 S C 0.173 174.769 174.600 -0.007 0.000 0.954 5304 S CA -0.544 57.650 58.200 -0.010 0.000 1.213 5304 S CB 0.064 63.256 63.200 -0.013 0.000 1.901 5304 S HN 0.592 nan 8.310 nan 0.000 0.805 5305 E N 1.093 121.291 120.200 -0.003 0.000 2.220 5305 E HA 0.461 4.811 4.350 0.000 0.000 0.272 5305 E C -1.297 175.303 176.600 -0.000 0.000 1.099 5305 E CA -0.171 56.230 56.400 0.001 0.000 0.907 5305 E CB 0.380 30.084 29.700 0.007 0.000 1.022 5305 E HN 0.366 nan 8.360 nan 0.000 0.428 5306 C N 2.837 122.132 119.300 -0.009 0.000 2.642 5306 C HA 0.412 4.872 4.460 0.000 0.000 0.344 5306 C C 0.018 174.987 174.990 -0.034 0.000 1.110 5306 C CA -0.708 58.298 59.018 -0.019 0.000 1.298 5306 C CB 1.673 29.397 27.740 -0.027 0.000 1.827 5306 C HN 0.635 nan 8.230 nan 0.000 0.467 5307 T N 1.088 115.631 114.554 -0.019 0.000 2.916 5307 T HA 0.513 4.863 4.350 0.000 0.000 0.292 5307 T C -0.750 173.955 174.700 0.009 0.000 1.064 5307 T CA -0.431 61.672 62.100 0.005 0.000 1.011 5307 T CB 0.712 69.619 68.868 0.065 0.000 1.152 5307 T HN 0.456 nan 8.240 nan 0.000 0.510 5308 Y N 2.317 122.622 120.300 0.009 0.000 2.903 5308 Y HA 0.044 4.594 4.550 0.000 0.000 0.338 5308 Y C 1.865 177.767 175.900 0.004 0.000 1.265 5308 Y CA 0.324 58.429 58.100 0.008 0.000 1.532 5308 Y CB 0.136 38.600 38.460 0.006 0.000 1.293 5308 Y HN 0.741 nan 8.280 nan 0.000 0.609 5316 A N 2.725 125.536 122.820 -0.016 0.000 2.411 5316 A HA 0.409 4.729 4.320 0.000 0.000 0.251 5316 A C 0.448 177.998 177.584 -0.056 0.000 1.317 5316 A CA 0.590 52.622 52.037 -0.009 0.000 0.904 5316 A CB -0.654 18.371 19.000 0.042 0.000 0.993 5316 A HN 1.002 nan 8.150 nan 0.000 0.504 5317 T N 0.160 114.639 114.554 -0.126 0.000 3.177 5317 T HA -0.155 4.195 4.350 0.000 0.000 0.439 5317 T C 0.133 174.718 174.700 -0.193 0.000 0.771 5317 T CA 1.044 63.044 62.100 -0.167 0.000 2.254 5317 T CB -1.651 67.148 68.868 -0.115 0.000 1.667 5317 T HN 0.459 nan 8.240 nan 0.000 0.619 5318 L N 1.524 122.582 121.223 -0.276 0.000 3.029 5318 L HA 0.216 4.556 4.340 0.000 0.000 0.231 5318 L C 1.128 177.527 176.870 -0.785 0.000 1.327 5318 L CA -0.374 54.176 54.840 -0.483 0.000 1.166 5318 L CB 0.082 41.933 42.059 -0.347 0.000 1.532 5318 L HN 0.456 nan 8.230 nan 0.000 0.473 5319 Q N 0.735 120.259 119.800 -0.461 0.000 2.255 5319 Q HA 0.169 4.509 4.340 0.000 0.000 0.280 5319 Q C -0.986 174.837 176.000 -0.294 0.000 1.068 5319 Q CA 0.758 56.377 55.803 -0.308 0.000 0.911 5319 Q CB 0.468 29.121 28.738 -0.142 0.000 1.157 5319 Q HN 0.365 nan 8.270 nan 0.000 0.380 5320 Y N 0.256 120.567 120.300 0.019 0.000 2.675 5320 Y HA 0.664 5.214 4.550 0.000 0.000 0.328 5320 Y C -0.085 175.828 175.900 0.022 0.000 1.092 5320 Y CA -1.414 56.701 58.100 0.025 0.000 1.190 5320 Y CB 1.718 40.199 38.460 0.035 0.000 1.350 5320 Y HN 0.180 nan 8.280 nan 0.000 0.525 5321 V N 1.651 121.696 119.914 0.218 0.000 2.509 5321 V HA 0.406 4.526 4.120 0.000 0.000 0.289 5321 V C -0.961 175.178 176.094 0.075 0.000 1.026 5321 V CA -0.647 61.721 62.300 0.112 0.000 0.872 5321 V CB 1.008 32.878 31.823 0.079 0.000 1.017 5321 V HN 0.815 nan 8.190 nan 0.000 0.436 5322 S N 2.061 117.796 115.700 0.059 0.000 2.720 5322 S HA 0.658 5.128 4.470 0.000 0.000 0.287 5322 S C -1.468 173.142 174.600 0.018 0.000 1.168 5322 S CA -1.047 57.170 58.200 0.028 0.000 0.832 5322 S CB 2.563 65.772 63.200 0.016 0.000 1.166 5322 S HN 0.490 nan 8.310 nan 0.000 0.493 5323 D N 1.350 121.753 120.400 0.005 0.000 2.317 5323 D HA 0.404 5.045 4.640 0.000 0.000 0.234 5323 D C -0.491 175.803 176.300 -0.010 0.000 1.112 5323 D CA 0.076 54.075 54.000 -0.001 0.000 0.840 5323 D CB 0.728 41.526 40.800 -0.003 0.000 1.078 5323 D HN 0.467 nan 8.370 nan 0.000 0.486 5324 R N 1.842 122.333 120.500 -0.016 0.000 1.430 5324 R HA -0.158 4.182 4.340 0.000 0.000 0.404 5324 R C -0.400 175.863 176.300 -0.061 0.000 1.314 5324 R CA 0.441 56.520 56.100 -0.035 0.000 1.171 5324 R CB -0.414 29.867 30.300 -0.033 0.000 3.410 5324 R HN 0.564 nan 8.270 nan 0.000 0.488 5325 E N 0.652 120.791 120.200 -0.101 0.000 2.398 5325 E HA 0.377 4.727 4.350 0.000 0.000 0.263 5325 E C 0.637 177.040 176.600 -0.329 0.000 1.046 5325 E CA 0.731 57.006 56.400 -0.209 0.000 0.908 5325 E CB 0.919 30.462 29.700 -0.262 0.000 0.963 5325 E HN 0.672 nan 8.360 nan 0.000 0.431 5326 G N 1.769 110.302 108.800 -0.445 0.000 1.875 5326 G HA2 0.122 4.082 3.960 0.000 0.000 0.218 5326 G HA3 0.122 4.082 3.960 0.000 0.000 0.218 5326 G C -0.428 174.497 174.900 0.043 0.000 1.648 5326 G CA -0.334 44.599 45.100 -0.278 0.000 0.941 5326 G HN 0.592 nan 8.290 nan 0.000 0.689 5327 Q N -0.636 119.347 119.800 0.306 0.000 1.659 5327 Q HA -0.343 3.997 4.340 0.000 0.000 0.347 5327 Q C 1.040 177.198 176.000 0.264 0.000 0.831 5327 Q CA 2.427 58.396 55.803 0.276 0.000 0.873 5327 Q CB -1.171 27.657 28.738 0.151 0.000 3.305 5327 Q HN 2.538 nan 8.270 nan 0.000 0.659 5328 C N 0.831 120.232 119.300 0.168 0.000 3.055 5328 C HA -0.036 4.424 4.460 0.000 0.000 0.306 5328 C C -2.573 172.506 174.990 0.148 0.000 0.855 5328 C CA -0.297 58.807 59.018 0.142 0.000 2.714 5328 C CB -0.768 27.064 27.740 0.153 0.000 1.521 5328 C HN 0.552 nan 8.230 nan 0.000 0.454 5329 P HA 0.498 nan 4.420 nan 0.000 0.282 5329 P C -0.596 176.791 177.300 0.145 0.000 1.262 5329 P CA 0.218 63.402 63.100 0.140 0.000 0.773 5329 P CB 1.363 33.153 31.700 0.149 0.000 0.879 5330 V N 5.029 125.010 119.914 0.112 0.000 2.638 5330 V HA 0.438 4.558 4.120 0.000 0.000 0.306 5330 V C -0.239 175.772 176.094 -0.138 0.000 1.052 5330 V CA -0.376 61.983 62.300 0.099 0.000 0.885 5330 V CB 1.763 33.752 31.823 0.278 0.000 0.999 5330 V HN 0.688 nan 8.190 nan 0.000 0.424 5331 H N 1.134 120.185 119.070 -0.031 0.000 3.012 5331 H HA 0.475 5.031 4.556 0.000 0.000 0.367 5331 H C -0.214 174.955 175.328 -0.264 0.000 1.211 5331 H CA -0.356 55.589 56.048 -0.171 0.000 1.139 5331 H CB 2.519 32.166 29.762 -0.193 0.000 1.838 5331 H HN 0.741 nan 8.280 nan 0.000 0.550 5332 S N 0.922 116.583 115.700 -0.064 0.000 2.584 5332 S HA 0.129 4.599 4.470 0.000 0.000 0.270 5332 S C 0.442 174.830 174.600 -0.354 0.000 1.346 5332 S CA -0.088 58.034 58.200 -0.131 0.000 1.018 5332 S CB 1.003 64.135 63.200 -0.113 0.000 0.899 5332 S HN 0.726 nan 8.310 nan 0.000 0.542 5333 H N -0.679 118.415 119.070 0.039 0.000 3.535 5333 H HA 0.387 4.943 4.556 0.000 0.000 0.260 5333 H C 0.362 175.718 175.328 0.047 0.000 1.173 5333 H CA -0.131 55.943 56.048 0.044 0.000 1.168 5333 H CB 0.669 30.466 29.762 0.060 0.000 1.568 5333 H HN 0.526 nan 8.280 nan 0.000 0.602 5334 S N 0.279 116.053 115.700 0.123 0.000 2.647 5334 S HA 0.144 4.614 4.470 0.000 0.000 0.284 5334 S C 1.467 176.095 174.600 0.047 0.000 1.134 5334 S CA 0.057 58.333 58.200 0.125 0.000 1.027 5334 S CB 1.243 64.595 63.200 0.252 0.000 1.180 5334 S HN 0.408 nan 8.310 nan 0.000 0.521 5335 S N -0.548 115.195 115.700 0.071 0.000 2.548 5335 S HA 0.247 4.717 4.470 0.000 0.000 0.215 5335 S C 0.384 174.978 174.600 -0.010 0.000 0.976 5335 S CA -0.168 58.053 58.200 0.035 0.000 0.908 5335 S CB 0.042 63.278 63.200 0.059 0.000 0.781 5335 S HN 0.501 nan 8.310 nan 0.000 0.519 5336 T N 1.613 116.121 114.554 -0.077 0.000 2.883 5336 T HA 0.730 5.080 4.350 0.000 0.000 0.296 5336 T C -0.840 173.490 174.700 -0.616 0.000 1.117 5336 T CA -0.017 61.962 62.100 -0.202 0.000 1.006 5336 T CB 1.590 70.463 68.868 0.008 0.000 1.191 5336 T HN 1.181 nan 8.240 nan 0.000 0.508 5337 A N 1.600 124.134 122.820 -0.476 0.000 1.856 5337 A HA 0.053 4.373 4.320 0.000 0.000 0.234 5337 A C 0.134 177.512 177.584 -0.343 0.000 1.328 5337 A CA -0.060 51.677 52.037 -0.499 0.000 0.673 5337 A CB -2.106 16.316 19.000 -0.962 0.000 1.190 5337 A HN 0.781 nan 8.150 nan 0.000 0.248 5338 T N 3.948 118.375 114.554 -0.211 0.000 2.829 5338 T HA 0.633 4.983 4.350 0.000 0.000 0.282 5338 T C 0.921 175.527 174.700 -0.157 0.000 0.990 5338 T CA -0.531 61.473 62.100 -0.160 0.000 1.028 5338 T CB 1.237 70.036 68.868 -0.114 0.000 0.951 5338 T HN 0.617 nan 8.240 nan 0.000 0.460 5339 L N 1.966 123.077 121.223 -0.187 0.000 2.475 5339 L HA 0.224 4.564 4.340 0.000 0.000 0.250 5339 L C 1.830 178.589 176.870 -0.185 0.000 1.224 5339 L CA -0.352 54.342 54.840 -0.243 0.000 0.821 5339 L CB 0.267 42.054 42.059 -0.453 0.000 1.141 5339 L HN 0.730 nan 8.230 nan 0.000 0.494 5340 Q N -0.505 119.195 119.800 -0.166 0.000 2.387 5340 Q HA 0.158 4.498 4.340 0.000 0.000 0.212 5340 Q C -0.134 175.821 176.000 -0.075 0.000 0.925 5340 Q CA 0.474 56.225 55.803 -0.087 0.000 0.901 5340 Q CB 0.782 29.504 28.738 -0.026 0.000 1.020 5340 Q HN 0.608 nan 8.270 nan 0.000 0.545 5341 E N -0.253 119.904 120.200 -0.071 0.000 2.281 5341 E HA 0.240 4.590 4.350 0.000 0.000 0.257 5341 E C 0.187 176.716 176.600 -0.118 0.000 0.971 5341 E CA -0.004 56.413 56.400 0.030 0.000 0.839 5341 E CB 1.879 31.735 29.700 0.260 0.000 1.238 5341 E HN 0.046 nan 8.360 nan 0.000 0.412 5342 S N -0.695 115.032 115.700 0.046 0.000 3.414 5342 S HA 0.070 4.540 4.470 0.000 0.000 0.193 5342 S C 0.687 175.429 174.600 0.236 0.000 0.825 5342 S CA -0.254 57.925 58.200 -0.034 0.000 0.837 5342 S CB -0.138 63.018 63.200 -0.075 0.000 0.940 5342 S HN 0.323 nan 8.310 nan 0.000 0.639 5343 T N 2.854 117.490 114.554 0.137 0.000 2.776 5343 T HA 0.616 4.966 4.350 0.000 0.000 0.292 5343 T C -1.025 173.657 174.700 -0.029 0.000 0.921 5343 T CA -0.083 62.073 62.100 0.093 0.000 1.038 5343 T CB 0.163 69.063 68.868 0.054 0.000 0.910 5343 T HN 0.288 nan 8.240 nan 0.000 0.536 5344 V N 5.671 125.542 119.914 -0.071 0.000 2.524 5344 V HA 0.257 4.377 4.120 0.000 0.000 0.297 5344 V C 0.125 176.090 176.094 -0.216 0.000 1.035 5344 V CA -1.206 60.906 62.300 -0.313 0.000 0.867 5344 V CB 1.183 32.690 31.823 -0.526 0.000 1.004 5344 V HN 0.815 nan 8.190 nan 0.000 0.426 5353 T N 3.550 118.148 114.554 0.074 0.000 3.182 5353 T HA 0.404 4.754 4.350 0.000 0.000 0.274 5353 T C -0.116 174.653 174.700 0.115 0.000 0.997 5353 T CA 0.289 62.430 62.100 0.068 0.000 1.082 5353 T CB 0.094 69.029 68.868 0.113 0.000 1.005 5353 T HN 0.234 nan 8.240 nan 0.000 0.688 5354 V N 4.274 124.179 119.914 -0.015 0.000 2.715 5354 V HA 0.119 4.239 4.120 0.000 0.000 0.299 5354 V C 0.569 176.565 176.094 -0.163 0.000 1.054 5354 V CA -0.227 62.006 62.300 -0.112 0.000 1.077 5354 V CB 0.244 31.963 31.823 -0.173 0.000 0.972 5354 V HN 0.753 nan 8.190 nan 0.000 0.484 5355 H N 4.546 123.382 119.070 -0.389 0.000 2.970 5355 H HA 0.445 5.001 4.556 0.000 0.000 0.315 5355 H C -0.655 174.469 175.328 -0.341 0.000 0.992 5355 H CA -0.151 55.734 56.048 -0.272 0.000 1.363 5355 H CB 1.352 31.017 29.762 -0.162 0.000 1.532 5355 H HN 0.552 nan 8.280 nan 0.000 0.514 5356 F N 0.801 120.758 119.950 0.012 0.000 3.064 5356 F HA 0.495 5.022 4.527 0.000 0.000 0.322 5356 F C 0.149 175.942 175.800 -0.012 0.000 1.463 5356 F CA -0.713 57.285 58.000 -0.004 0.000 1.044 5356 F CB 1.832 40.816 39.000 -0.026 0.000 1.743 5356 F HN 0.463 nan 8.300 nan 0.000 0.423 5357 S N -0.662 115.180 115.700 0.236 0.000 2.680 5357 S HA 0.526 4.996 4.470 0.000 0.000 0.284 5357 S C -1.327 173.287 174.600 0.025 0.000 1.055 5357 S CA -1.008 57.248 58.200 0.094 0.000 0.849 5357 S CB 1.417 64.663 63.200 0.077 0.000 1.068 5357 S HN 0.535 nan 8.310 nan 0.000 0.453 5358 T N 0.404 114.961 114.554 0.005 0.000 2.716 5358 T HA 0.931 5.281 4.350 0.000 0.000 0.286 5358 T C -0.737 173.949 174.700 -0.022 0.000 1.052 5358 T CA -0.478 61.604 62.100 -0.031 0.000 1.024 5358 T CB 1.674 70.522 68.868 -0.034 0.000 1.349 5358 T HN 1.877 nan 8.240 nan 0.000 0.525 5359 A N 1.628 124.425 122.820 -0.037 0.000 3.158 5359 A HA 0.650 4.970 4.320 0.000 0.000 0.302 5359 A C -0.025 177.545 177.584 -0.024 0.000 1.162 5359 A CA -0.643 51.380 52.037 -0.023 0.000 0.824 5359 A CB 0.045 19.033 19.000 -0.021 0.000 1.322 5359 A HN 0.857 nan 8.150 nan 0.000 0.510 5360 S N 1.031 116.733 115.700 0.004 0.000 2.726 5360 S HA 0.841 5.311 4.470 0.000 0.000 0.308 5360 S C -1.306 173.329 174.600 0.058 0.000 1.115 5360 S CA -0.810 57.423 58.200 0.056 0.000 0.965 5360 S CB 1.075 64.385 63.200 0.183 0.000 1.145 5360 S HN 0.323 nan 8.310 nan 0.000 0.532 5361 P HA 0.153 nan 4.420 nan 0.000 0.200 5361 P C 0.334 177.626 177.300 -0.013 0.000 1.198 5361 P CA 1.016 64.129 63.100 0.021 0.000 0.892 5361 P CB 0.105 31.840 31.700 0.059 0.000 0.724 5362 Q N -2.129 117.674 119.800 0.005 0.000 1.977 5362 Q HA 0.353 4.693 4.340 0.000 0.000 0.214 5362 Q C 0.397 176.345 176.000 -0.087 0.000 0.740 5362 Q CA -0.243 55.536 55.803 -0.040 0.000 0.893 5362 Q CB 0.911 29.618 28.738 -0.052 0.000 1.203 5362 Q HN 0.201 nan 8.270 nan 0.000 0.436 5363 A N 1.638 124.371 122.820 -0.146 0.000 2.386 5363 A HA 0.291 4.611 4.320 0.000 0.000 0.248 5363 A C -0.094 177.123 177.584 -0.612 0.000 1.082 5363 A CA -0.205 51.608 52.037 -0.373 0.000 0.789 5363 A CB 0.251 18.969 19.000 -0.469 0.000 1.025 5363 A HN 0.152 nan 8.150 nan 0.000 0.490 5364 N N 0.504 118.888 118.700 -0.527 0.000 2.472 5364 N HA 0.513 5.253 4.740 0.000 0.000 0.277 5364 N C -1.019 174.139 175.510 -0.587 0.000 1.081 5364 N CA 0.438 53.251 53.050 -0.396 0.000 0.973 5364 N CB 0.754 39.130 38.487 -0.186 0.000 1.105 5364 N HN 0.517 nan 8.380 nan 0.000 0.470 5365 F N 0.580 120.539 119.950 0.015 0.000 2.671 5365 F HA 0.583 5.110 4.527 0.000 0.000 0.373 5365 F C 1.056 176.881 175.800 0.041 0.000 1.122 5365 F CA -0.930 57.087 58.000 0.028 0.000 1.082 5365 F CB 0.939 39.955 39.000 0.026 0.000 1.399 5365 F HN 0.119 nan 8.300 nan 0.000 0.509 5366 I N 0.163 120.908 120.570 0.293 0.000 0.000 5366 I HA 0.866 5.036 4.170 0.000 0.000 0.000 5366 I C -0.022 176.218 176.117 0.205 0.000 0.000 5366 I CA -0.833 60.585 61.300 0.197 0.000 0.000 5366 I CB 1.501 39.603 38.000 0.170 0.000 0.000 5366 I HN 0.509 nan 8.210 nan 0.000 0.000 5367 V N -0.385 nan 119.914 nan 0.000 0.000 5367 V HA 0.782 4.902 4.120 0.000 0.000 0.000 5367 V C -0.717 nan 176.094 nan 0.000 0.000 5367 V CA 0.025 62.449 62.300 0.207 0.000 0.000 5367 V CB 1.157 nan 31.823 nan 0.000 0.000 5367 V HN 1.065 nan 8.190 nan 0.000 0.000 5368 S N -1.631 nan 115.700 nan 0.000 0.000 5368 S HA 1.263 5.733 4.470 0.000 0.000 0.000 5368 S C -0.416 nan 174.600 nan 0.000 0.000 5368 S CA 0.303 58.660 58.200 0.261 0.000 0.000 5368 S CB 0.126 nan 63.200 nan 0.000 0.000 5368 S HN 2.944 nan 8.310 nan 0.000 0.000 5369 L N -2.502 nan 121.223 nan 0.000 0.000 5369 L HA 1.027 5.367 4.340 0.000 0.000 0.000 5369 L C 0.155 nan 176.870 nan 0.000 0.000 5369 L CA -0.118 54.954 54.840 0.386 0.000 0.000 5369 L CB -0.178 nan 42.059 nan 0.000 0.000 5369 L HN 3.091 nan 8.230 nan 0.000 0.000 5370 C N -1.754 nan 119.300 nan 0.000 0.000 5370 C HA 1.147 5.607 4.460 0.000 0.000 0.000 5370 C C 0.515 nan 174.990 nan 0.000 0.000 5370 C CA -0.069 58.954 59.018 0.008 0.000 0.000 5370 C CB 0.952 nan 27.740 nan 0.000 0.000 5370 C HN 3.256 nan 8.230 nan 0.000 0.000 5371 G N -0.976 nan 108.800 nan 0.000 0.000 5371 G HA2 1.156 5.116 3.960 0.000 0.000 0.000 5371 G HA3 1.156 5.116 3.960 0.000 0.000 0.000 5371 G C -0.942 nan 174.900 nan 0.000 0.000 5371 G CA 1.271 46.379 45.100 0.014 0.000 0.000 5371 G HN 2.982 nan 8.290 nan 0.000 0.000 5372 K N -2.533 nan 120.400 nan 0.000 0.000 5372 K HA 1.158 5.478 4.320 0.000 0.000 0.000 5372 K C -0.334 nan 176.600 nan 0.000 0.000 5372 K CA 1.019 57.279 56.287 -0.046 0.000 0.000 5372 K CB 0.302 nan 32.500 nan 0.000 0.000 5372 K HN 2.696 nan 8.250 nan 0.000 0.000 5373 K N -1.744 nan 120.400 nan 0.000 0.000 5373 K HA 1.071 5.391 4.320 0.000 0.000 0.000 5373 K C 0.294 nan 176.600 nan 0.000 0.000 5373 K CA 1.025 57.370 56.287 0.097 0.000 0.000 5373 K CB -0.002 nan 32.500 nan 0.000 0.000 5373 K HN 2.803 nan 8.250 nan 0.000 0.000 5374 T N -2.108 nan 114.554 nan 0.000 0.000 5374 T HA 1.088 5.438 4.350 0.000 0.000 0.000 5374 T C 0.442 nan 174.700 nan 0.000 0.000 5374 T CA 0.914 63.088 62.100 0.122 0.000 0.000 5374 T CB 0.084 nan 68.868 nan 0.000 0.000 5374 T HN 2.678 nan 8.240 nan 0.000 0.000 5375 T N -2.138 nan 114.554 nan 0.000 0.000 5375 T HA 0.963 5.313 4.350 0.000 0.000 0.000 5375 T C -0.008 nan 174.700 nan 0.000 0.000 5375 T CA 0.502 62.658 62.100 0.095 0.000 0.000 5375 T CB -0.295 nan 68.868 nan 0.000 0.000 5375 T HN 2.917 nan 8.240 nan 0.000 0.000 5376 C N -1.181 nan 119.300 nan 0.000 0.000 5376 C HA 1.250 5.710 4.460 0.000 0.000 0.000 5376 C C 0.034 nan 174.990 nan 0.000 0.000 5376 C CA 0.634 59.689 59.018 0.061 0.000 0.000 5376 C CB -0.007 nan 27.740 nan 0.000 0.000 5376 C HN 2.761 nan 8.230 nan 0.000 0.000 5377 N N -0.837 nan 118.700 nan 0.000 0.000 5377 N HA 1.160 5.900 4.740 0.000 0.000 0.000 5377 N C -0.596 nan 175.510 nan 0.000 0.000 5377 N CA 1.050 54.107 53.050 0.010 0.000 0.000 5377 N CB 0.388 nan 38.487 nan 0.000 0.000 5377 N HN 2.978 nan 8.380 nan 0.000 0.000 5378 A N -2.643 nan 122.820 nan 0.000 0.000 5378 A HA 1.156 5.476 4.320 0.000 0.000 0.000 5378 A C -0.278 nan 177.584 nan 0.000 0.000 5378 A CA 1.489 53.523 52.037 -0.005 0.000 0.000 5378 A CB -0.487 nan 19.000 nan 0.000 0.000 5378 A HN 2.730 nan 8.150 nan 0.000 0.000 5379 E N -2.023 nan 120.200 nan 0.000 0.000 5379 E HA 0.886 5.236 4.350 0.000 0.000 0.000 5379 E C -0.092 nan 176.600 nan 0.000 0.000 5379 E CA 0.310 56.696 56.400 -0.023 0.000 0.000 5379 E CB -0.059 nan 29.700 nan 0.000 0.000 5379 E HN 2.887 nan 8.360 nan 0.000 0.000 5380 C N 0.000 nan 119.300 nan 0.000 2.653 5380 C HA 0.000 4.460 4.460 0.000 0.000 0.325 5380 C CA 0.000 58.962 59.018 -0.093 0.000 1.963 5380 C CB 0.000 nan 27.740 nan 0.000 2.134 5380 C HN 0.000 nan 8.230 nan 0.000 0.568