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 3fu3_1_A DATA FIRST_RESID 4 DATA SEQUENCE VDTCSLASPA SVCRTKHLHL RCSVDFTRRT LTGTAALTVQ SQEDNLRSLV DATA SEQUENCE LDTKDLTIEK VVINGQEVKY ALGERQSYKG SPMEISLPIA LSKNQEIVIE DATA SEQUENCE ISFETSPKSS ALQWLTPEQT SGKEHPYLFS QCQAIHCRAI LPCQDTPSVK DATA SEQUENCE LTYTAEVSVP KELVALMSAI RDGETPDPED PSRKIYKFIQ KVPIPCYLIA DATA SEQUENCE LVVGALESRQ IGPRTLVWSE KEQVEKSAYE FSETESMLKI AEDLGGPYVW DATA SEQUENCE GQYDLLVLPP SFPYGGMENP CLTFVTPTLL AGDKSLSNVI AHEISHSWTG DATA SEQUENCE NLVTNKTWDH FWLNEGHTVY LERHICGRLF GEKFRHFNAL GGWGELQNSV DATA SEQUENCE KTFGETHPFT KLVVDLTDID PDVAYSSVPY EKGFALLFYL EQLLGGPEIF DATA SEQUENCE LGFLKAYVEK FSYKSITTDD WKDFLYSYFK DKVDVLNQVD WNAWLYSPGL DATA SEQUENCE PPIKPNYDMT LTNACIALSQ RWITAKEDDL NSFNATDLKD LSSHQLNEFL DATA SEQUENCE AQTLQRAPLP LGHIKRMQEV YNFNAINNSE IRFRWLRLCI QSKWEDAIPL DATA SEQUENCE ALKMATEQGR MKFTRPLFKD LAAFDKSHDQ AVRTYQEHKA SMHPVTAMLV DATA SEQUENCE GKDLKV 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.127 176.094 0.056 0.000 1.182 4 V CA 0.000 62.327 62.300 0.044 0.000 1.235 4 V CB 0.000 31.846 31.823 0.039 0.000 1.184 5 D N 1.992 122.421 120.400 0.048 0.000 2.411 5 D HA 0.368 4.994 4.640 -0.024 0.000 0.225 5 D C 1.434 177.780 176.300 0.076 0.000 1.156 5 D CA 0.576 54.613 54.000 0.061 0.000 0.874 5 D CB 1.734 42.561 40.800 0.044 0.000 1.034 5 D HN 1.016 nan 8.370 nan 0.000 0.502 6 T N -0.182 114.425 114.554 0.089 0.000 3.113 6 T HA -0.092 4.243 4.350 -0.024 0.000 0.263 6 T C 1.792 176.554 174.700 0.103 0.000 1.143 6 T CA 0.310 62.461 62.100 0.086 0.000 1.090 6 T CB -0.399 68.521 68.868 0.087 0.000 0.922 6 T HN 0.419 nan 8.240 nan 0.000 0.521 7 C N 1.347 120.732 119.300 0.142 0.000 2.594 7 C HA 0.436 4.882 4.460 -0.024 0.000 0.265 7 C C 1.462 176.517 174.990 0.109 0.000 1.351 7 C CA -0.471 58.644 59.018 0.161 0.000 1.744 7 C CB -1.026 26.863 27.740 0.248 0.000 1.890 7 C HN 0.625 nan 8.230 nan 0.000 0.551 8 S N -0.097 115.655 115.700 0.088 0.000 2.501 8 S HA 0.607 5.063 4.470 -0.024 0.000 0.301 8 S C 0.258 174.873 174.600 0.025 0.000 1.096 8 S CA -0.567 57.665 58.200 0.054 0.000 1.063 8 S CB 0.629 63.867 63.200 0.063 0.000 1.042 8 S HN 0.420 nan 8.310 nan 0.000 0.494 9 L N 3.131 124.357 121.223 0.005 0.000 2.607 9 L HA 0.401 4.727 4.340 -0.024 0.000 0.228 9 L C 1.165 178.037 176.870 0.003 0.000 1.123 9 L CA -0.272 54.566 54.840 -0.003 0.000 0.890 9 L CB -0.518 41.529 42.059 -0.020 0.000 1.103 9 L HN 0.645 nan 8.230 nan 0.000 0.468 10 A N -0.035 122.790 122.820 0.008 0.000 2.287 10 A HA 0.443 4.749 4.320 -0.024 0.000 0.273 10 A C 0.617 178.207 177.584 0.011 0.000 1.091 10 A CA -0.272 51.770 52.037 0.007 0.000 0.817 10 A CB 0.309 19.312 19.000 0.006 0.000 1.069 10 A HN 0.193 nan 8.150 nan 0.000 0.492 11 S N 2.685 118.391 115.700 0.010 0.000 2.563 11 S HA 0.213 4.668 4.470 -0.024 0.000 0.294 11 S C -1.992 172.615 174.600 0.012 0.000 1.279 11 S CA -0.372 57.835 58.200 0.012 0.000 1.069 11 S CB -0.332 62.875 63.200 0.012 0.000 0.828 11 S HN 0.640 nan 8.310 nan 0.000 0.497 12 P HA 0.182 nan 4.420 nan 0.000 0.273 12 P C 0.402 177.709 177.300 0.011 0.000 1.250 12 P CA -0.412 62.696 63.100 0.013 0.000 0.793 12 P CB 0.564 32.273 31.700 0.015 0.000 1.011 13 A N 1.245 124.070 122.820 0.009 0.000 2.070 13 A HA -0.139 4.166 4.320 -0.024 0.000 0.220 13 A C 2.086 179.674 177.584 0.008 0.000 1.159 13 A CA 1.910 53.951 52.037 0.007 0.000 0.656 13 A CB -1.557 17.445 19.000 0.003 0.000 0.800 13 A HN 0.649 nan 8.150 nan 0.000 0.453 14 S N -1.279 114.426 115.700 0.009 0.000 2.522 14 S HA 0.048 4.503 4.470 -0.024 0.000 0.227 14 S C 1.410 176.016 174.600 0.010 0.000 0.986 14 S CA 1.044 59.249 58.200 0.009 0.000 0.929 14 S CB -0.075 63.131 63.200 0.011 0.000 0.769 14 S HN 0.205 nan 8.310 nan 0.000 0.529 15 V N 0.838 120.758 119.914 0.010 0.000 2.627 15 V HA 0.265 4.370 4.120 -0.024 0.000 0.239 15 V C 1.123 177.223 176.094 0.010 0.000 1.077 15 V CA 0.782 63.088 62.300 0.010 0.000 1.103 15 V CB 0.242 32.071 31.823 0.011 0.000 0.802 15 V HN 0.910 nan 8.190 nan 0.000 0.482 16 C N -0.488 118.818 119.300 0.010 0.000 3.239 16 C HA 0.793 5.239 4.460 -0.024 0.000 0.317 16 C C -0.893 174.103 174.990 0.011 0.000 1.310 16 C CA -1.294 57.730 59.018 0.011 0.000 1.371 16 C CB 1.615 29.362 27.740 0.012 0.000 1.714 16 C HN 0.412 nan 8.230 nan 0.000 0.473 17 R N 0.769 121.276 120.500 0.012 0.000 2.532 17 R HA 0.635 4.961 4.340 -0.024 0.000 0.297 17 R C -0.810 175.500 176.300 0.018 0.000 0.984 17 R CA -0.278 55.829 56.100 0.013 0.000 0.884 17 R CB 2.276 32.583 30.300 0.011 0.000 1.182 17 R HN 0.853 nan 8.270 nan 0.000 0.442 18 T N 3.634 118.199 114.554 0.018 0.000 2.834 18 T HA 0.085 4.421 4.350 -0.024 0.000 0.298 18 T C 0.965 175.687 174.700 0.037 0.000 0.966 18 T CA -0.296 61.819 62.100 0.026 0.000 1.141 18 T CB 0.782 69.657 68.868 0.013 0.000 0.905 18 T HN 0.246 nan 8.240 nan 0.000 0.535 19 K N 1.567 122.003 120.400 0.060 0.000 2.276 19 K HA 0.154 4.459 4.320 -0.024 0.000 0.198 19 K C 0.523 177.210 176.600 0.146 0.000 1.052 19 K CA 0.730 57.065 56.287 0.079 0.000 0.984 19 K CB 0.126 32.668 32.500 0.070 0.000 0.836 19 K HN 0.751 nan 8.250 nan 0.000 0.490 20 H N -1.269 117.826 119.070 0.043 0.000 3.046 20 H HA 0.461 5.005 4.556 -0.021 0.000 0.363 20 H C -1.974 173.407 175.328 0.088 0.000 1.203 20 H CA -0.994 55.098 56.048 0.072 0.000 1.169 20 H CB 1.335 31.137 29.762 0.067 0.000 1.851 20 H HN -0.094 nan 8.280 nan 0.000 0.546 21 L N 4.299 125.333 121.223 -0.315 0.000 2.333 21 L HA 0.390 4.716 4.340 -0.024 0.000 0.280 21 L C -1.514 175.333 176.870 -0.038 0.000 1.004 21 L CA -0.367 54.413 54.840 -0.099 0.000 0.820 21 L CB 1.279 43.268 42.059 -0.117 0.000 1.247 21 L HN 0.802 nan 8.230 nan 0.000 0.416 22 H N 5.800 124.941 119.070 0.119 0.000 2.551 22 H HA 0.411 4.954 4.556 -0.022 0.000 0.321 22 H C -1.649 173.758 175.328 0.133 0.000 1.028 22 H CA -0.698 55.455 56.048 0.175 0.000 1.215 22 H CB 1.759 31.656 29.762 0.224 0.000 1.414 22 H HN 0.683 nan 8.280 nan 0.000 0.480 23 L N 6.244 127.254 121.223 -0.355 0.000 2.287 23 L HA 0.407 4.732 4.340 -0.024 0.000 0.287 23 L C -0.567 176.156 176.870 -0.246 0.000 1.022 23 L CA -0.428 54.309 54.840 -0.172 0.000 0.814 23 L CB 1.027 43.040 42.059 -0.077 0.000 1.217 23 L HN 0.626 nan 8.230 nan 0.000 0.420 24 R N 5.438 125.899 120.500 -0.065 0.000 2.435 24 R HA 0.701 5.027 4.340 -0.024 0.000 0.308 24 R C -1.367 174.934 176.300 0.001 0.000 0.975 24 R CA -0.406 55.693 56.100 -0.002 0.000 0.867 24 R CB 0.773 31.129 30.300 0.094 0.000 1.171 24 R HN 0.946 nan 8.270 nan 0.000 0.470 25 C N 0.214 119.519 119.300 0.008 0.000 3.291 25 C HA 0.802 5.247 4.460 -0.024 0.000 0.316 25 C C -0.703 174.289 174.990 0.002 0.000 1.391 25 C CA -0.927 58.074 59.018 -0.029 0.000 1.394 25 C CB 1.762 29.490 27.740 -0.021 0.000 1.744 25 C HN 0.693 nan 8.230 nan 0.000 0.461 26 S N 0.105 115.792 115.700 -0.022 0.000 2.521 26 S HA 0.742 5.197 4.470 -0.024 0.000 0.295 26 S C -1.098 173.508 174.600 0.010 0.000 1.098 26 S CA -0.331 57.875 58.200 0.010 0.000 0.999 26 S CB 1.350 64.551 63.200 0.002 0.000 1.034 26 S HN 0.981 nan 8.310 nan 0.000 0.483 27 V N 4.647 124.580 119.914 0.032 0.000 2.350 27 V HA 0.378 4.484 4.120 -0.024 0.000 0.276 27 V C -0.312 175.784 176.094 0.002 0.000 1.028 27 V CA -0.627 61.675 62.300 0.005 0.000 0.860 27 V CB 1.319 33.096 31.823 -0.078 0.000 0.990 27 V HN 0.842 nan 8.190 nan 0.000 0.453 28 D N 3.961 124.346 120.400 -0.024 0.000 2.454 28 D HA 0.310 4.936 4.640 -0.024 0.000 0.225 28 D C 0.494 176.696 176.300 -0.163 0.000 1.081 28 D CA -0.393 53.581 54.000 -0.044 0.000 0.864 28 D CB 1.030 41.789 40.800 -0.069 0.000 1.040 28 D HN 0.334 nan 8.370 nan 0.000 0.517 29 F N 1.051 121.048 119.950 0.078 0.000 2.259 29 F HA -0.118 4.393 4.527 -0.027 0.000 0.298 29 F C 2.644 178.386 175.800 -0.097 0.000 1.088 29 F CA 1.226 59.265 58.000 0.065 0.000 1.358 29 F CB -0.255 38.862 39.000 0.196 0.000 1.040 29 F HN 0.383 nan 8.300 nan 0.000 0.505 30 T N -1.535 113.072 114.554 0.089 0.000 2.821 30 T HA -0.160 4.176 4.350 -0.024 0.000 0.267 30 T C 1.895 176.528 174.700 -0.112 0.000 1.046 30 T CA 1.102 63.204 62.100 0.003 0.000 1.139 30 T CB -0.344 68.535 68.868 0.019 0.000 0.871 30 T HN 0.250 nan 8.240 nan 0.000 0.454 31 R N 0.567 120.955 120.500 -0.187 0.000 2.280 31 R HA 0.323 4.648 4.340 -0.024 0.000 0.195 31 R C 0.298 176.310 176.300 -0.481 0.000 0.935 31 R CA -0.235 55.712 56.100 -0.254 0.000 1.033 31 R CB 0.093 30.282 30.300 -0.185 0.000 0.964 31 R HN 0.289 nan 8.270 nan 0.000 0.489 32 R N 1.292 121.293 120.500 -0.832 0.000 3.333 32 R HA -0.138 4.187 4.340 -0.024 0.000 0.256 32 R C -0.709 174.816 176.300 -1.292 0.000 1.010 32 R CA 1.109 56.072 56.100 -1.895 0.000 0.680 32 R CB -2.230 27.116 30.300 -1.589 0.000 1.102 32 R HN 0.379 nan 8.270 nan 0.000 0.440 33 T N -2.555 111.586 114.554 -0.689 0.000 2.906 33 T HA 0.672 5.008 4.350 -0.024 0.000 0.295 33 T C -0.246 174.505 174.700 0.085 0.000 1.061 33 T CA -1.107 60.904 62.100 -0.149 0.000 1.000 33 T CB 2.539 71.329 68.868 -0.130 0.000 1.103 33 T HN 0.215 nan 8.240 nan 0.000 0.486 34 L N 1.860 123.182 121.223 0.164 0.000 2.296 34 L HA 0.730 5.056 4.340 -0.024 0.000 0.286 34 L C -0.802 176.036 176.870 -0.054 0.000 1.023 34 L CA -0.166 54.731 54.840 0.096 0.000 0.812 34 L CB 1.631 43.781 42.059 0.153 0.000 1.223 34 L HN 0.952 nan 8.230 nan 0.000 0.421 35 T N 3.702 118.160 114.554 -0.160 0.000 2.861 35 T HA 0.874 5.210 4.350 -0.024 0.000 0.287 35 T C -0.067 174.388 174.700 -0.408 0.000 1.003 35 T CA -0.122 61.783 62.100 -0.324 0.000 0.977 35 T CB 1.776 70.532 68.868 -0.187 0.000 0.996 35 T HN 0.975 nan 8.240 nan 0.000 0.448 36 G N 1.577 109.963 108.800 -0.690 0.000 2.452 36 G HA2 0.501 4.447 3.960 -0.024 0.000 0.224 36 G HA3 0.501 4.447 3.960 -0.024 0.000 0.224 36 G C -1.074 173.553 174.900 -0.455 0.000 1.208 36 G CA -0.115 44.724 45.100 -0.434 0.000 0.946 36 G HN 0.995 nan 8.290 nan 0.000 0.481 37 T N -2.035 112.449 114.554 -0.116 0.000 2.861 37 T HA 0.803 5.138 4.350 -0.024 0.000 0.287 37 T C -0.364 174.499 174.700 0.270 0.000 1.003 37 T CA 0.304 62.464 62.100 0.101 0.000 0.977 37 T CB 1.844 70.761 68.868 0.082 0.000 0.996 37 T HN 1.992 nan 8.240 nan 0.000 0.448 38 A N 2.223 125.255 122.820 0.354 0.000 2.267 38 A HA 0.807 5.112 4.320 -0.024 0.000 0.315 38 A C 0.315 177.978 177.584 0.132 0.000 1.297 38 A CA -0.870 51.286 52.037 0.200 0.000 0.865 38 A CB 0.103 19.139 19.000 0.061 0.000 1.165 38 A HN 1.422 nan 8.150 nan 0.000 0.513 39 A N 3.704 126.614 122.820 0.151 0.000 2.260 39 A HA 0.630 4.936 4.320 -0.024 0.000 0.312 39 A C -0.414 177.250 177.584 0.133 0.000 1.321 39 A CA -0.282 51.842 52.037 0.146 0.000 0.928 39 A CB -0.091 19.025 19.000 0.193 0.000 1.158 39 A HN 0.803 nan 8.150 nan 0.000 0.542 40 L N 2.804 124.078 121.223 0.085 0.000 2.272 40 L HA 0.333 4.658 4.340 -0.024 0.000 0.289 40 L C 0.109 177.028 176.870 0.081 0.000 1.032 40 L CA -0.362 54.520 54.840 0.071 0.000 0.810 40 L CB 1.688 43.763 42.059 0.027 0.000 1.205 40 L HN 0.599 nan 8.230 nan 0.000 0.422 41 T N 3.247 117.868 114.554 0.111 0.000 2.727 41 T HA 0.336 4.672 4.350 -0.024 0.000 0.295 41 T C 0.064 174.803 174.700 0.065 0.000 0.915 41 T CA -0.229 61.925 62.100 0.090 0.000 1.066 41 T CB 0.818 69.754 68.868 0.113 0.000 0.891 41 T HN 0.176 nan 8.240 nan 0.000 0.516 42 V N 4.362 124.302 119.914 0.043 0.000 2.555 42 V HA 0.429 4.535 4.120 -0.024 0.000 0.302 42 V C -0.000 176.108 176.094 0.024 0.000 1.038 42 V CA -0.909 61.410 62.300 0.031 0.000 0.887 42 V CB 1.904 33.742 31.823 0.024 0.000 0.991 42 V HN 0.762 nan 8.190 nan 0.000 0.434 43 Q N 2.347 122.159 119.800 0.020 0.000 2.325 43 Q HA 0.437 4.763 4.340 -0.024 0.000 0.262 43 Q C -0.184 175.822 176.000 0.011 0.000 0.968 43 Q CA -0.230 55.581 55.803 0.014 0.000 0.877 43 Q CB 1.656 30.401 28.738 0.011 0.000 1.253 43 Q HN 0.809 nan 8.270 nan 0.000 0.448 44 S N 2.678 118.384 115.700 0.010 0.000 2.549 44 S HA 0.054 4.509 4.470 -0.024 0.000 0.283 44 S C 0.413 175.017 174.600 0.007 0.000 1.320 44 S CA -0.042 58.163 58.200 0.009 0.000 1.058 44 S CB 0.657 63.862 63.200 0.009 0.000 0.882 44 S HN 0.712 nan 8.310 nan 0.000 0.498 45 Q N 2.321 122.125 119.800 0.008 0.000 2.247 45 Q HA 0.342 4.667 4.340 -0.024 0.000 0.211 45 Q C -0.316 175.688 176.000 0.006 0.000 0.861 45 Q CA 0.323 56.129 55.803 0.006 0.000 0.949 45 Q CB 0.568 29.311 28.738 0.007 0.000 1.115 45 Q HN 0.719 nan 8.270 nan 0.000 0.507 46 E N 0.440 120.644 120.200 0.007 0.000 2.343 46 E HA 0.241 4.577 4.350 -0.024 0.000 0.270 46 E C -1.384 175.220 176.600 0.006 0.000 0.895 46 E CA -0.681 55.723 56.400 0.007 0.000 0.767 46 E CB 1.718 31.423 29.700 0.008 0.000 1.248 46 E HN -0.088 nan 8.360 nan 0.000 0.440 47 D N 0.753 121.156 120.400 0.006 0.000 2.372 47 D HA 0.026 4.652 4.640 -0.024 0.000 0.243 47 D C 0.060 176.364 176.300 0.006 0.000 1.121 47 D CA 0.460 54.464 54.000 0.005 0.000 0.898 47 D CB 0.407 41.210 40.800 0.005 0.000 1.202 47 D HN 0.463 nan 8.370 nan 0.000 0.428 48 N N 1.723 120.427 118.700 0.006 0.000 2.740 48 N HA -0.213 4.513 4.740 -0.024 0.000 0.248 48 N C -1.357 174.158 175.510 0.008 0.000 1.062 48 N CA 0.150 53.204 53.050 0.007 0.000 0.704 48 N CB -1.267 37.223 38.487 0.006 0.000 0.968 48 N HN 0.388 nan 8.380 nan 0.000 0.547 49 L N 0.673 121.901 121.223 0.009 0.000 2.361 49 L HA 0.322 4.648 4.340 -0.024 0.000 0.278 49 L C 1.315 178.193 176.870 0.012 0.000 1.113 49 L CA 0.488 55.334 54.840 0.011 0.000 0.849 49 L CB 0.574 42.639 42.059 0.011 0.000 1.155 49 L HN 0.257 nan 8.230 nan 0.000 0.452 50 R N 1.865 122.373 120.500 0.013 0.000 2.446 50 R HA 0.286 4.612 4.340 -0.024 0.000 0.254 50 R C -0.387 175.924 176.300 0.019 0.000 0.918 50 R CA 0.486 56.595 56.100 0.015 0.000 1.069 50 R CB 0.469 30.776 30.300 0.013 0.000 1.194 50 R HN 0.799 nan 8.270 nan 0.000 0.534 51 S N -0.082 115.629 115.700 0.019 0.000 2.588 51 S HA 0.603 5.058 4.470 -0.024 0.000 0.269 51 S C -1.178 173.435 174.600 0.022 0.000 1.157 51 S CA -1.094 57.120 58.200 0.024 0.000 0.824 51 S CB 1.692 64.907 63.200 0.025 0.000 1.126 51 S HN 0.159 nan 8.310 nan 0.000 0.464 52 L N -0.673 120.565 121.223 0.025 0.000 2.469 52 L HA 1.009 5.335 4.340 -0.024 0.000 0.256 52 L C -1.927 174.956 176.870 0.023 0.000 1.006 52 L CA -1.027 53.826 54.840 0.021 0.000 0.832 52 L CB 1.881 43.951 42.059 0.018 0.000 1.421 52 L HN 0.587 nan 8.230 nan 0.000 0.410 53 V N 2.970 122.894 119.914 0.017 0.000 2.495 53 V HA 0.565 4.670 4.120 -0.024 0.000 0.298 53 V C -0.085 176.013 176.094 0.006 0.000 1.031 53 V CA -0.363 61.947 62.300 0.016 0.000 0.871 53 V CB 1.556 33.388 31.823 0.014 0.000 0.988 53 V HN 0.661 nan 8.190 nan 0.000 0.432 54 L N 2.686 123.909 121.223 -0.000 0.000 2.333 54 L HA 0.618 4.943 4.340 -0.024 0.000 0.269 54 L C -0.278 176.579 176.870 -0.020 0.000 1.010 54 L CA -0.847 53.983 54.840 -0.017 0.000 0.818 54 L CB 1.857 43.894 42.059 -0.036 0.000 1.306 54 L HN 0.522 nan 8.230 nan 0.000 0.430 55 D N 1.234 121.618 120.400 -0.027 0.000 2.345 55 D HA 0.354 4.980 4.640 -0.024 0.000 0.247 55 D C -0.102 176.168 176.300 -0.051 0.000 1.108 55 D CA 0.367 54.349 54.000 -0.031 0.000 0.894 55 D CB 1.775 42.562 40.800 -0.022 0.000 1.203 55 D HN 0.640 nan 8.370 nan 0.000 0.430 56 T N -1.321 113.207 114.554 -0.043 0.000 2.868 56 T HA 0.583 4.919 4.350 -0.024 0.000 0.306 56 T C -0.798 173.885 174.700 -0.030 0.000 1.224 56 T CA -1.081 60.988 62.100 -0.052 0.000 1.012 56 T CB 2.656 71.497 68.868 -0.045 0.000 1.221 56 T HN 0.308 nan 8.240 nan 0.000 0.499 57 K N 0.978 121.366 120.400 -0.021 0.000 2.615 57 K HA 0.350 4.656 4.320 -0.024 0.000 0.249 57 K C -1.009 175.601 176.600 0.018 0.000 0.977 57 K CA -0.481 55.808 56.287 0.003 0.000 0.833 57 K CB 0.828 33.337 32.500 0.016 0.000 1.208 57 K HN 0.790 nan 8.250 nan 0.000 0.443 58 D N 2.702 123.116 120.400 0.023 0.000 2.751 58 D HA -0.210 4.416 4.640 -0.024 0.000 0.233 58 D C -0.505 175.821 176.300 0.043 0.000 1.149 58 D CA 1.057 55.076 54.000 0.032 0.000 0.682 58 D CB -0.729 40.092 40.800 0.035 0.000 1.068 58 D HN 0.441 nan 8.370 nan 0.000 0.429 59 L N 0.304 121.551 121.223 0.041 0.000 2.309 59 L HA 0.317 4.643 4.340 -0.024 0.000 0.282 59 L C 0.865 177.782 176.870 0.078 0.000 1.036 59 L CA -0.395 54.486 54.840 0.069 0.000 0.806 59 L CB 1.741 43.817 42.059 0.027 0.000 1.220 59 L HN -0.217 nan 8.230 nan 0.000 0.429 60 T N 4.056 118.672 114.554 0.103 0.000 2.733 60 T HA 0.429 4.764 4.350 -0.024 0.000 0.294 60 T C 0.032 174.795 174.700 0.106 0.000 0.956 60 T CA -0.372 61.781 62.100 0.088 0.000 0.987 60 T CB 0.625 69.530 68.868 0.062 0.000 0.920 60 T HN 0.142 nan 8.240 nan 0.000 0.470 61 I N 3.339 123.964 120.570 0.092 0.000 2.331 61 I HA 0.278 4.434 4.170 -0.024 0.000 0.292 61 I C 1.321 177.480 176.117 0.069 0.000 0.998 61 I CA -0.526 60.797 61.300 0.038 0.000 1.267 61 I CB 1.287 39.216 38.000 -0.119 0.000 1.386 61 I HN 0.790 nan 8.210 nan 0.000 0.476 62 E N 6.256 126.477 120.200 0.034 0.000 2.127 62 E HA 0.029 4.365 4.350 -0.024 0.000 0.191 62 E C -0.047 176.602 176.600 0.082 0.000 0.964 62 E CA 0.690 57.124 56.400 0.058 0.000 0.832 62 E CB 0.722 30.434 29.700 0.021 0.000 0.790 62 E HN 0.710 nan 8.360 nan 0.000 0.465 63 K N -1.410 118.990 120.400 -0.000 0.000 2.660 63 K HA 0.372 4.677 4.320 -0.024 0.000 0.285 63 K C -1.637 174.912 176.600 -0.084 0.000 0.997 63 K CA -0.871 55.434 56.287 0.030 0.000 0.861 63 K CB 1.696 34.237 32.500 0.068 0.000 1.469 63 K HN -0.121 nan 8.250 nan 0.000 0.395 64 V N 1.489 121.381 119.914 -0.035 0.000 2.487 64 V HA 0.475 4.581 4.120 -0.024 0.000 0.298 64 V C -0.933 175.182 176.094 0.035 0.000 1.028 64 V CA -0.797 61.481 62.300 -0.037 0.000 0.860 64 V CB 1.662 33.448 31.823 -0.061 0.000 0.991 64 V HN 0.572 nan 8.190 nan 0.000 0.427 65 V N 6.419 126.350 119.914 0.029 0.000 2.448 65 V HA 0.593 4.698 4.120 -0.024 0.000 0.295 65 V C -0.416 175.698 176.094 0.034 0.000 1.025 65 V CA -0.383 61.939 62.300 0.036 0.000 0.859 65 V CB 1.888 33.731 31.823 0.034 0.000 0.988 65 V HN 0.721 nan 8.190 nan 0.000 0.431 66 I N 4.368 124.959 120.570 0.034 0.000 2.499 66 I HA 0.484 4.640 4.170 -0.024 0.000 0.288 66 I C -0.033 176.099 176.117 0.025 0.000 1.048 66 I CA -0.696 60.622 61.300 0.030 0.000 1.062 66 I CB 2.038 40.056 38.000 0.031 0.000 1.238 66 I HN 0.618 nan 8.210 nan 0.000 0.426 67 N N 4.633 123.346 118.700 0.021 0.000 2.735 67 N HA -0.194 4.532 4.740 -0.024 0.000 0.248 67 N C 0.896 176.416 175.510 0.016 0.000 1.083 67 N CA 1.389 54.449 53.050 0.016 0.000 0.703 67 N CB -1.001 37.495 38.487 0.014 0.000 1.005 67 N HN 1.208 nan 8.380 nan 0.000 0.550 68 G N -1.182 107.629 108.800 0.018 0.000 2.184 68 G HA2 -0.354 3.592 3.960 -0.024 0.000 0.264 68 G HA3 -0.354 3.592 3.960 -0.024 0.000 0.264 68 G C -0.245 174.667 174.900 0.021 0.000 0.975 68 G CA 0.816 45.927 45.100 0.018 0.000 0.642 68 G HN 0.760 nan 8.290 nan 0.000 0.536 69 Q N 0.707 120.522 119.800 0.025 0.000 2.353 69 Q HA 0.456 4.781 4.340 -0.024 0.000 0.268 69 Q C -0.426 175.597 176.000 0.038 0.000 1.045 69 Q CA -0.580 55.239 55.803 0.028 0.000 0.811 69 Q CB 1.327 30.080 28.738 0.025 0.000 1.305 69 Q HN 0.513 nan 8.270 nan 0.000 0.447 70 E N 1.603 121.829 120.200 0.043 0.000 2.384 70 E HA 0.240 4.575 4.350 -0.024 0.000 0.266 70 E C 0.056 176.697 176.600 0.070 0.000 1.012 70 E CA -0.132 56.306 56.400 0.062 0.000 0.901 70 E CB 1.166 30.907 29.700 0.068 0.000 0.967 70 E HN 0.503 nan 8.360 nan 0.000 0.435 71 V N -0.236 119.736 119.914 0.096 0.000 3.046 71 V HA 0.515 4.620 4.120 -0.024 0.000 0.316 71 V C -0.461 175.721 176.094 0.147 0.000 1.104 71 V CA -1.301 61.057 62.300 0.097 0.000 1.006 71 V CB 1.841 33.714 31.823 0.083 0.000 1.058 71 V HN 0.332 nan 8.190 nan 0.000 0.440 72 K N 2.262 122.721 120.400 0.099 0.000 2.298 72 K HA 0.574 4.880 4.320 -0.024 0.000 0.280 72 K C -0.759 175.927 176.600 0.143 0.000 1.032 72 K CA 0.167 56.492 56.287 0.063 0.000 0.958 72 K CB 0.484 32.987 32.500 0.005 0.000 0.978 72 K HN 0.923 nan 8.250 nan 0.000 0.472 73 Y N -0.980 119.328 120.300 0.012 0.000 2.597 73 Y HA 0.792 5.328 4.550 -0.023 0.000 0.340 73 Y C -1.312 174.594 175.900 0.010 0.000 1.097 73 Y CA -1.546 56.561 58.100 0.012 0.000 1.037 73 Y CB 1.278 39.748 38.460 0.016 0.000 1.305 73 Y HN 0.472 nan 8.280 nan 0.000 0.463 74 A N 2.846 125.705 122.820 0.065 0.000 2.515 74 A HA 0.759 5.065 4.320 -0.024 0.000 0.298 74 A C -2.051 175.601 177.584 0.114 0.000 1.059 74 A CA -0.944 51.087 52.037 -0.011 0.000 0.698 74 A CB 1.537 20.510 19.000 -0.044 0.000 1.289 74 A HN 0.839 nan 8.150 nan 0.000 0.404 75 L N 2.188 123.467 121.223 0.093 0.000 2.282 75 L HA 0.566 4.892 4.340 -0.024 0.000 0.288 75 L C 1.129 178.021 176.870 0.037 0.000 1.033 75 L CA -0.485 54.406 54.840 0.085 0.000 0.807 75 L CB 1.672 43.793 42.059 0.102 0.000 1.209 75 L HN 0.935 nan 8.230 nan 0.000 0.423 76 G N 1.808 110.624 108.800 0.027 0.000 2.621 76 G HA2 0.211 4.156 3.960 -0.024 0.000 0.271 76 G HA3 0.211 4.156 3.960 -0.024 0.000 0.271 76 G C -0.209 174.694 174.900 0.004 0.000 1.236 76 G CA -0.577 44.529 45.100 0.010 0.000 0.958 76 G HN 0.491 nan 8.290 nan 0.000 0.512 77 E N -0.015 120.183 120.200 -0.003 0.000 2.437 77 E HA 0.001 4.337 4.350 -0.024 0.000 0.263 77 E C 0.820 177.410 176.600 -0.015 0.000 1.030 77 E CA 0.030 56.426 56.400 -0.008 0.000 0.934 77 E CB 0.483 30.176 29.700 -0.011 0.000 0.943 77 E HN 0.379 nan 8.360 nan 0.000 0.444 78 R N 1.964 122.456 120.500 -0.015 0.000 2.570 78 R HA -0.050 4.276 4.340 -0.024 0.000 0.277 78 R C -0.115 176.156 176.300 -0.047 0.000 1.039 78 R CA 0.406 56.490 56.100 -0.027 0.000 1.065 78 R CB 0.340 30.631 30.300 -0.016 0.000 0.964 78 R HN 0.436 nan 8.270 nan 0.000 0.428 79 Q N 2.865 122.616 119.800 -0.081 0.000 2.842 79 Q HA 0.112 4.438 4.340 -0.024 0.000 0.323 79 Q C 0.085 175.960 176.000 -0.208 0.000 1.111 79 Q CA -0.214 55.513 55.803 -0.127 0.000 1.047 79 Q CB 1.166 29.820 28.738 -0.139 0.000 1.280 79 Q HN 0.913 nan 8.270 nan 0.000 0.475 80 S N 0.541 116.166 115.700 -0.124 0.000 3.736 80 S HA -0.361 4.095 4.470 -0.024 0.000 0.627 80 S C 0.980 175.515 174.600 -0.109 0.000 2.426 80 S CA 1.844 59.991 58.200 -0.090 0.000 4.022 80 S CB -1.070 62.079 63.200 -0.084 0.000 0.237 80 S HN 0.822 nan 8.310 nan 0.000 0.967 81 Y N 0.959 121.260 120.300 0.001 0.000 2.403 81 Y HA 0.200 4.735 4.550 -0.024 0.000 0.291 81 Y C 2.011 177.890 175.900 -0.035 0.000 1.143 81 Y CA 1.410 59.503 58.100 -0.012 0.000 1.257 81 Y CB -0.606 37.842 38.460 -0.021 0.000 0.984 81 Y HN 0.429 nan 8.280 nan 0.000 0.550 82 K N 0.996 121.088 120.400 -0.513 0.000 2.365 82 K HA 0.198 4.504 4.320 -0.024 0.000 0.199 82 K C 1.355 177.879 176.600 -0.126 0.000 1.045 82 K CA 0.566 56.687 56.287 -0.276 0.000 0.962 82 K CB -0.336 31.957 32.500 -0.345 0.000 0.759 82 K HN 0.626 nan 8.250 nan 0.000 0.469 83 G N 0.644 109.381 108.800 -0.105 0.000 2.584 83 G HA2 -0.227 3.718 3.960 -0.024 0.000 0.229 83 G HA3 -0.227 3.718 3.960 -0.024 0.000 0.229 83 G C -0.769 174.101 174.900 -0.050 0.000 1.320 83 G CA -0.440 44.630 45.100 -0.051 0.000 0.891 83 G HN 0.169 nan 8.290 nan 0.000 0.573 84 S N 2.947 118.631 115.700 -0.027 0.000 2.478 84 S HA 0.703 5.158 4.470 -0.024 0.000 0.312 84 S C -2.493 172.102 174.600 -0.010 0.000 1.094 84 S CA -0.689 57.502 58.200 -0.016 0.000 1.081 84 S CB 2.555 65.757 63.200 0.002 0.000 1.007 84 S HN 0.753 nan 8.310 nan 0.000 0.475 85 P HA 0.139 nan 4.420 nan 0.000 0.271 85 P C -0.972 176.341 177.300 0.022 0.000 1.216 85 P CA -0.331 62.770 63.100 0.001 0.000 0.771 85 P CB 0.524 32.224 31.700 -0.000 0.000 0.864 86 M N 2.796 122.411 119.600 0.025 0.000 2.072 86 M HA 0.263 4.729 4.480 -0.024 0.000 0.331 86 M C -0.211 176.126 176.300 0.061 0.000 1.004 86 M CA -0.549 54.786 55.300 0.058 0.000 0.952 86 M CB 0.934 33.554 32.600 0.033 0.000 1.511 86 M HN 0.305 nan 8.290 nan 0.000 0.422 87 E N 5.296 125.546 120.200 0.083 0.000 2.227 87 E HA 0.464 4.800 4.350 -0.024 0.000 0.282 87 E C -1.533 175.134 176.600 0.111 0.000 1.015 87 E CA -0.465 55.977 56.400 0.071 0.000 0.823 87 E CB 1.154 30.883 29.700 0.049 0.000 1.081 87 E HN 0.757 nan 8.360 nan 0.000 0.396 88 I N 3.240 123.863 120.570 0.087 0.000 2.406 88 I HA 0.167 4.323 4.170 -0.024 0.000 0.290 88 I C -0.459 175.701 176.117 0.071 0.000 0.999 88 I CA -0.722 60.641 61.300 0.105 0.000 1.124 88 I CB 2.071 40.116 38.000 0.075 0.000 1.289 88 I HN 0.388 nan 8.210 nan 0.000 0.441 89 S N 7.155 122.898 115.700 0.073 0.000 2.448 89 S HA 0.403 4.859 4.470 -0.024 0.000 0.279 89 S C 0.038 174.665 174.600 0.046 0.000 1.195 89 S CA -0.608 57.620 58.200 0.047 0.000 1.051 89 S CB 0.146 63.368 63.200 0.038 0.000 0.948 89 S HN 0.342 nan 8.310 nan 0.000 0.493 90 L N 5.614 126.858 121.223 0.035 0.000 2.416 90 L HA 0.167 4.493 4.340 -0.024 0.000 0.272 90 L C -0.820 176.066 176.870 0.027 0.000 1.161 90 L CA -1.534 53.325 54.840 0.031 0.000 0.845 90 L CB 0.229 42.303 42.059 0.025 0.000 1.119 90 L HN 0.427 nan 8.230 nan 0.000 0.464 91 P HA -0.052 nan 4.420 nan 0.000 0.217 91 P C 0.209 177.519 177.300 0.017 0.000 1.150 91 P CA 1.383 64.496 63.100 0.023 0.000 0.832 91 P CB 0.418 32.132 31.700 0.023 0.000 0.787 92 I N -0.979 119.601 120.570 0.016 0.000 2.545 92 I HA 0.445 4.600 4.170 -0.024 0.000 0.292 92 I C 0.005 176.129 176.117 0.012 0.000 1.040 92 I CA -1.668 59.640 61.300 0.013 0.000 1.068 92 I CB 2.118 40.125 38.000 0.011 0.000 1.251 92 I HN -0.190 nan 8.210 nan 0.000 0.424 93 A N 7.122 129.949 122.820 0.011 0.000 2.540 93 A HA 0.429 4.734 4.320 -0.024 0.000 0.239 93 A C -0.297 177.292 177.584 0.009 0.000 1.061 93 A CA 0.255 52.298 52.037 0.010 0.000 0.758 93 A CB 0.056 19.061 19.000 0.008 0.000 0.991 93 A HN 0.668 nan 8.150 nan 0.000 0.502 94 L N 2.357 123.586 121.223 0.009 0.000 2.325 94 L HA 0.379 4.704 4.340 -0.024 0.000 0.278 94 L C 0.629 177.503 176.870 0.007 0.000 1.023 94 L CA -0.464 54.381 54.840 0.008 0.000 0.811 94 L CB 1.780 43.845 42.059 0.010 0.000 1.249 94 L HN 0.702 nan 8.230 nan 0.000 0.431 95 S N 0.919 116.622 115.700 0.005 0.000 2.632 95 S HA 0.180 4.636 4.470 -0.024 0.000 0.267 95 S C -0.096 174.506 174.600 0.004 0.000 1.276 95 S CA -0.603 57.599 58.200 0.004 0.000 0.998 95 S CB 1.111 64.312 63.200 0.002 0.000 0.953 95 S HN 0.455 nan 8.310 nan 0.000 0.547 96 K N 1.384 121.786 120.400 0.003 0.000 2.484 96 K HA -0.036 4.270 4.320 -0.024 0.000 0.280 96 K C 0.169 176.770 176.600 0.002 0.000 1.013 96 K CA 0.406 56.695 56.287 0.003 0.000 1.029 96 K CB -0.044 32.458 32.500 0.002 0.000 0.902 96 K HN 0.580 nan 8.250 nan 0.000 0.481 97 N N 1.132 119.833 118.700 0.002 0.000 2.965 97 N HA -0.238 4.488 4.740 -0.024 0.000 0.232 97 N C -0.692 174.818 175.510 0.000 0.000 0.913 97 N CA 1.032 54.082 53.050 0.000 0.000 0.981 97 N CB -0.935 37.550 38.487 -0.003 0.000 1.077 97 N HN 0.802 nan 8.380 nan 0.000 0.589 98 Q N 1.218 121.020 119.800 0.002 0.000 2.337 98 Q HA 0.140 4.466 4.340 -0.024 0.000 0.270 98 Q C -0.527 175.476 176.000 0.005 0.000 1.002 98 Q CA 0.550 56.355 55.803 0.002 0.000 0.888 98 Q CB 0.530 29.270 28.738 0.004 0.000 1.222 98 Q HN 0.163 nan 8.270 nan 0.000 0.400 99 E N 4.300 124.502 120.200 0.004 0.000 2.183 99 E HA 0.476 4.812 4.350 -0.024 0.000 0.271 99 E C -0.550 176.056 176.600 0.010 0.000 0.919 99 E CA -0.548 55.856 56.400 0.008 0.000 0.781 99 E CB 1.473 31.176 29.700 0.006 0.000 1.140 99 E HN 0.566 nan 8.360 nan 0.000 0.402 100 I N -1.985 118.595 120.570 0.016 0.000 3.108 100 I HA 0.651 4.807 4.170 -0.024 0.000 0.312 100 I C -0.830 175.303 176.117 0.026 0.000 1.095 100 I CA -1.339 59.971 61.300 0.018 0.000 1.000 100 I CB 1.847 39.858 38.000 0.018 0.000 1.229 100 I HN 0.130 nan 8.210 nan 0.000 0.454 101 V N 3.837 123.767 119.914 0.027 0.000 2.417 101 V HA 0.492 4.598 4.120 -0.024 0.000 0.291 101 V C -0.162 175.955 176.094 0.038 0.000 1.024 101 V CA -0.327 61.996 62.300 0.039 0.000 0.861 101 V CB 1.440 33.286 31.823 0.038 0.000 0.985 101 V HN 0.479 nan 8.190 nan 0.000 0.436 102 I N 3.986 124.581 120.570 0.042 0.000 2.382 102 I HA 0.433 4.589 4.170 -0.024 0.000 0.286 102 I C -0.024 176.119 176.117 0.043 0.000 1.002 102 I CA -0.264 61.057 61.300 0.035 0.000 1.135 102 I CB 1.743 39.757 38.000 0.024 0.000 1.288 102 I HN 0.632 nan 8.210 nan 0.000 0.448 103 E N 7.497 127.724 120.200 0.044 0.000 2.092 103 E HA 0.509 4.845 4.350 -0.024 0.000 0.271 103 E C -1.147 175.480 176.600 0.046 0.000 0.919 103 E CA -0.588 55.849 56.400 0.061 0.000 0.760 103 E CB 1.106 30.845 29.700 0.064 0.000 1.106 103 E HN 0.500 nan 8.360 nan 0.000 0.408 104 I N 3.262 123.871 120.570 0.064 0.000 2.339 104 I HA 0.193 4.349 4.170 -0.024 0.000 0.290 104 I C -0.213 176.003 176.117 0.164 0.000 0.994 104 I CA -0.546 60.786 61.300 0.052 0.000 1.191 104 I CB 1.928 39.929 38.000 0.000 0.000 1.343 104 I HN 0.344 nan 8.210 nan 0.000 0.458 105 S N 6.935 122.683 115.700 0.081 0.000 2.475 105 S HA 0.670 5.125 4.470 -0.024 0.000 0.281 105 S C -0.527 174.126 174.600 0.089 0.000 1.198 105 S CA -0.474 57.752 58.200 0.044 0.000 1.063 105 S CB 0.378 63.571 63.200 -0.011 0.000 0.972 105 S HN 0.478 nan 8.310 nan 0.000 0.486 106 F N 0.264 120.188 119.950 -0.042 0.000 2.685 106 F HA 0.816 5.329 4.527 -0.024 0.000 0.315 106 F C -0.869 174.918 175.800 -0.022 0.000 1.126 106 F CA -1.150 56.825 58.000 -0.042 0.000 0.950 106 F CB 1.350 40.319 39.000 -0.051 0.000 1.360 106 F HN 0.450 nan 8.300 nan 0.000 0.469 107 E N 0.781 121.043 120.200 0.104 0.000 2.314 107 E HA 0.456 4.791 4.350 -0.024 0.000 0.272 107 E C -1.188 175.539 176.600 0.211 0.000 0.884 107 E CA -0.957 55.464 56.400 0.034 0.000 0.753 107 E CB 2.261 31.944 29.700 -0.030 0.000 1.213 107 E HN 0.924 nan 8.360 nan 0.000 0.432 108 T N 0.402 115.079 114.554 0.204 0.000 2.882 108 T HA 0.290 4.625 4.350 -0.024 0.000 0.287 108 T C 0.431 175.185 174.700 0.090 0.000 1.014 108 T CA -0.736 61.472 62.100 0.180 0.000 1.049 108 T CB 1.547 70.540 68.868 0.208 0.000 1.001 108 T HN 0.261 nan 8.240 nan 0.000 0.525 109 S N 1.607 117.350 115.700 0.073 0.000 2.565 109 S HA 0.325 4.780 4.470 -0.024 0.000 0.274 109 S C -1.540 173.072 174.600 0.020 0.000 1.309 109 S CA -1.594 56.623 58.200 0.027 0.000 1.043 109 S CB 0.389 63.604 63.200 0.026 0.000 0.939 109 S HN 0.586 nan 8.310 nan 0.000 0.504 110 P HA -0.118 nan 4.420 nan 0.000 0.218 110 P C 0.500 177.795 177.300 -0.007 0.000 1.146 110 P CA 1.278 64.296 63.100 -0.137 0.000 0.813 110 P CB -0.026 31.551 31.700 -0.205 0.000 0.778 111 K N -0.783 119.619 120.400 0.003 0.000 2.504 111 K HA 0.153 4.459 4.320 -0.024 0.000 0.199 111 K C 0.414 177.030 176.600 0.026 0.000 1.028 111 K CA -0.234 56.062 56.287 0.014 0.000 1.164 111 K CB -0.280 32.219 32.500 -0.001 0.000 0.877 111 K HN -0.182 nan 8.250 nan 0.000 0.508 112 S N 1.498 117.235 115.700 0.061 0.000 2.673 112 S HA -0.075 4.380 4.470 -0.024 0.000 0.308 112 S C 1.154 175.746 174.600 -0.014 0.000 1.246 112 S CA 0.148 58.378 58.200 0.050 0.000 1.077 112 S CB 0.424 63.677 63.200 0.088 0.000 0.814 112 S HN 0.571 nan 8.310 nan 0.000 0.503 113 S N 4.214 119.911 115.700 -0.005 0.000 2.507 113 S HA 0.012 4.468 4.470 -0.024 0.000 0.235 113 S C 1.686 176.133 174.600 -0.256 0.000 0.988 113 S CA 0.461 58.603 58.200 -0.096 0.000 0.944 113 S CB -0.345 62.888 63.200 0.054 0.000 0.762 113 S HN 0.945 nan 8.310 nan 0.000 0.526 114 A N 0.808 123.561 122.820 -0.112 0.000 2.072 114 A HA 0.496 4.801 4.320 -0.024 0.000 0.216 114 A C 0.795 178.301 177.584 -0.130 0.000 1.156 114 A CA 0.165 52.149 52.037 -0.087 0.000 0.701 114 A CB -0.164 18.847 19.000 0.019 0.000 0.816 114 A HN 0.548 nan 8.150 nan 0.000 0.458 115 L N -0.586 120.507 121.223 -0.216 0.000 2.362 115 L HA 0.479 4.805 4.340 -0.024 0.000 0.271 115 L C -0.294 176.269 176.870 -0.513 0.000 1.002 115 L CA -0.534 54.092 54.840 -0.358 0.000 0.818 115 L CB 1.962 43.825 42.059 -0.327 0.000 1.298 115 L HN 0.250 nan 8.230 nan 0.000 0.420 116 Q N 1.512 120.856 119.800 -0.761 0.000 2.331 116 Q HA 0.345 4.671 4.340 -0.024 0.000 0.267 116 Q C -1.916 173.781 176.000 -0.506 0.000 1.006 116 Q CA -0.646 54.783 55.803 -0.623 0.000 0.818 116 Q CB 1.561 29.879 28.738 -0.700 0.000 1.276 116 Q HN 0.487 nan 8.270 nan 0.000 0.450 117 W N 4.726 125.944 121.300 -0.137 0.000 2.335 117 W HA 0.414 5.067 4.660 -0.011 0.000 0.307 117 W C -1.045 175.525 176.519 0.085 0.000 1.117 117 W CA -0.483 56.874 57.345 0.020 0.000 1.228 117 W CB 0.722 30.188 29.460 0.010 0.000 1.240 117 W HN 0.426 nan 8.180 nan 0.000 0.468 118 L N 3.434 124.878 121.223 0.369 0.000 2.317 118 L HA 0.492 4.818 4.340 -0.024 0.000 0.281 118 L C 0.927 177.960 176.870 0.271 0.000 1.024 118 L CA -0.712 54.292 54.840 0.274 0.000 0.810 118 L CB 1.230 43.431 42.059 0.237 0.000 1.240 118 L HN 0.439 nan 8.230 nan 0.000 0.427 119 T N -0.240 114.425 114.554 0.185 0.000 2.860 119 T HA 0.231 4.566 4.350 -0.024 0.000 0.299 119 T C -1.869 172.893 174.700 0.104 0.000 1.045 119 T CA -1.290 60.891 62.100 0.133 0.000 1.071 119 T CB 0.668 69.588 68.868 0.087 0.000 0.985 119 T HN 0.412 nan 8.240 nan 0.000 0.537 120 P HA -0.204 nan 4.420 nan 0.000 0.216 120 P C 1.613 178.937 177.300 0.040 0.000 1.154 120 P CA 1.609 64.734 63.100 0.041 0.000 0.865 120 P CB -0.073 31.625 31.700 -0.003 0.000 0.789 121 E N 0.142 120.363 120.200 0.034 0.000 2.265 121 E HA -0.231 4.105 4.350 -0.024 0.000 0.196 121 E C 1.458 178.083 176.600 0.041 0.000 0.996 121 E CA 1.022 57.440 56.400 0.030 0.000 0.832 121 E CB -0.728 28.985 29.700 0.023 0.000 0.756 121 E HN 0.377 nan 8.360 nan 0.000 0.491 122 Q N 1.235 121.069 119.800 0.056 0.000 2.444 122 Q HA 0.028 4.354 4.340 -0.024 0.000 0.206 122 Q C 0.606 176.627 176.000 0.036 0.000 0.948 122 Q CA 0.933 56.772 55.803 0.059 0.000 0.946 122 Q CB 0.548 29.337 28.738 0.085 0.000 1.027 122 Q HN 0.385 nan 8.270 nan 0.000 0.513 123 T N -4.417 110.158 114.554 0.034 0.000 2.936 123 T HA 0.305 4.640 4.350 -0.024 0.000 0.282 123 T C 1.115 175.824 174.700 0.014 0.000 1.003 123 T CA -0.648 61.458 62.100 0.010 0.000 1.005 123 T CB 1.727 70.635 68.868 0.066 0.000 1.097 123 T HN -0.183 nan 8.240 nan 0.000 0.532 124 S N 0.630 116.334 115.700 0.007 0.000 2.356 124 S HA 0.032 4.488 4.470 -0.024 0.000 0.223 124 S C 2.218 176.840 174.600 0.036 0.000 1.032 124 S CA 1.424 59.636 58.200 0.021 0.000 1.005 124 S CB -0.980 62.233 63.200 0.022 0.000 0.867 124 S HN 0.958 nan 8.310 nan 0.000 0.449 125 G N 0.402 109.237 108.800 0.058 0.000 2.551 125 G HA2 -0.011 3.935 3.960 -0.024 0.000 0.216 125 G HA3 -0.011 3.935 3.960 -0.024 0.000 0.216 125 G C 0.454 175.376 174.900 0.037 0.000 1.137 125 G CA 0.389 45.526 45.100 0.063 0.000 0.798 125 G HN 0.314 nan 8.290 nan 0.000 0.536 126 K N -0.651 119.768 120.400 0.032 0.000 3.529 126 K HA -0.252 4.054 4.320 -0.024 0.000 0.313 126 K C 1.102 177.681 176.600 -0.034 0.000 1.316 126 K CA 1.685 57.976 56.287 0.007 0.000 0.988 126 K CB -1.414 31.088 32.500 0.003 0.000 1.252 126 K HN 0.640 nan 8.250 nan 0.000 0.438 127 E N 0.148 120.307 120.200 -0.069 0.000 2.162 127 E HA 0.009 4.345 4.350 -0.024 0.000 0.193 127 E C 0.281 176.669 176.600 -0.353 0.000 0.953 127 E CA 0.146 56.400 56.400 -0.243 0.000 0.849 127 E CB 0.437 29.925 29.700 -0.354 0.000 0.810 127 E HN 0.415 nan 8.360 nan 0.000 0.470 128 H N 0.784 119.850 119.070 -0.008 0.000 2.573 128 H HA 0.326 4.868 4.556 -0.024 0.000 0.351 128 H C -2.188 173.102 175.328 -0.064 0.000 1.163 128 H CA -2.239 53.775 56.048 -0.057 0.000 1.205 128 H CB 1.411 31.138 29.762 -0.060 0.000 1.605 128 H HN 0.199 nan 8.280 nan 0.000 0.525 129 P HA 0.133 nan 4.420 nan 0.000 0.279 129 P C -1.109 176.173 177.300 -0.031 0.000 1.282 129 P CA -0.161 62.882 63.100 -0.095 0.000 0.788 129 P CB 1.370 32.878 31.700 -0.319 0.000 1.139 130 Y N -0.622 119.734 120.300 0.094 0.000 2.519 130 Y HA 0.553 5.084 4.550 -0.033 0.000 0.336 130 Y C -1.675 174.421 175.900 0.327 0.000 1.089 130 Y CA -1.065 57.155 58.100 0.200 0.000 1.025 130 Y CB 1.626 40.177 38.460 0.152 0.000 1.318 130 Y HN 0.291 nan 8.280 nan 0.000 0.452 131 L N 7.359 128.702 121.223 0.199 0.000 2.408 131 L HA 0.808 5.133 4.340 -0.024 0.000 0.268 131 L C -1.959 174.881 176.870 -0.050 0.000 0.986 131 L CA -0.727 54.034 54.840 -0.131 0.000 0.820 131 L CB 1.445 43.150 42.059 -0.591 0.000 1.303 131 L HN 0.483 nan 8.230 nan 0.000 0.411 132 F N 1.759 121.680 119.950 -0.049 0.000 2.613 132 F HA 0.912 5.425 4.527 -0.024 0.000 0.310 132 F C -0.583 175.256 175.800 0.064 0.000 1.085 132 F CA -0.557 57.469 58.000 0.043 0.000 0.945 132 F CB 1.258 40.381 39.000 0.205 0.000 1.298 132 F HN 0.598 nan 8.300 nan 0.000 0.455 133 S N 1.478 117.406 115.700 0.380 0.000 2.681 133 S HA 0.759 5.214 4.470 -0.024 0.000 0.299 133 S C -0.969 173.901 174.600 0.449 0.000 1.113 133 S CA -0.552 57.784 58.200 0.226 0.000 1.013 133 S CB 1.862 65.102 63.200 0.067 0.000 1.076 133 S HN 0.947 nan 8.310 nan 0.000 0.534 134 Q N 0.618 120.586 119.800 0.280 0.000 2.709 134 Q HA 0.411 4.736 4.340 -0.024 0.000 0.232 134 Q C -0.785 175.301 176.000 0.143 0.000 0.856 134 Q CA -0.480 55.482 55.803 0.265 0.000 0.788 134 Q CB 0.298 29.262 28.738 0.377 0.000 1.386 134 Q HN 0.779 nan 8.270 nan 0.000 0.453 135 C N 1.961 121.325 119.300 0.106 0.000 2.533 135 C HA 0.201 4.646 4.460 -0.024 0.000 0.272 135 C C 1.002 176.067 174.990 0.125 0.000 1.371 135 C CA 0.058 59.157 59.018 0.134 0.000 1.758 135 C CB -0.127 27.659 27.740 0.075 0.000 1.972 135 C HN 0.744 nan 8.230 nan 0.000 0.522 136 Q N 0.435 120.266 119.800 0.051 0.000 2.311 136 Q HA 0.332 4.658 4.340 -0.024 0.000 0.272 136 Q C 0.873 176.691 176.000 -0.304 0.000 1.012 136 Q CA 0.150 55.839 55.803 -0.189 0.000 0.891 136 Q CB 0.982 29.583 28.738 -0.229 0.000 1.201 136 Q HN 0.518 nan 8.270 nan 0.000 0.391 137 A N 4.805 127.226 122.820 -0.664 0.000 1.887 137 A HA 0.026 4.331 4.320 -0.024 0.000 0.212 137 A C 1.198 178.386 177.584 -0.661 0.000 1.198 137 A CA 0.895 52.176 52.037 -1.259 0.000 0.628 137 A CB 0.024 17.780 19.000 -2.074 0.000 0.847 137 A HN 0.822 nan 8.150 nan 0.000 0.449 138 I N -5.109 115.105 120.570 -0.593 0.000 3.176 138 I HA 0.430 4.585 4.170 -0.024 0.000 0.339 138 I C 0.202 176.086 176.117 -0.389 0.000 1.505 138 I CA -0.332 60.764 61.300 -0.340 0.000 0.969 138 I CB 0.187 38.038 38.000 -0.249 0.000 1.636 138 I HN 0.102 nan 8.210 nan 0.000 0.523 139 H N -0.319 118.719 119.070 -0.054 0.000 2.622 139 H HA 0.162 4.698 4.556 -0.033 0.000 0.269 139 H C 1.894 177.207 175.328 -0.026 0.000 0.977 139 H CA 0.215 56.246 56.048 -0.030 0.000 1.179 139 H CB 0.625 30.374 29.762 -0.021 0.000 1.458 139 H HN 0.677 nan 8.280 nan 0.000 0.531 140 C N 2.295 121.628 119.300 0.055 0.000 2.413 140 C HA -0.141 4.305 4.460 -0.024 0.000 0.277 140 C C 3.006 177.970 174.990 -0.044 0.000 1.265 140 C CA 1.181 60.197 59.018 -0.002 0.000 1.752 140 C CB -0.705 27.026 27.740 -0.015 0.000 1.998 140 C HN 0.636 nan 8.230 nan 0.000 0.489 141 R N 1.002 121.482 120.500 -0.034 0.000 2.241 141 R HA -0.011 4.314 4.340 -0.024 0.000 0.224 141 R C 1.781 178.050 176.300 -0.051 0.000 1.101 141 R CA 1.694 57.758 56.100 -0.059 0.000 0.995 141 R CB -0.610 29.666 30.300 -0.041 0.000 0.870 141 R HN 0.489 nan 8.270 nan 0.000 0.463 142 A N 0.668 123.487 122.820 -0.001 0.000 2.251 142 A HA 0.222 4.528 4.320 -0.024 0.000 0.209 142 A C 1.732 179.320 177.584 0.007 0.000 1.187 142 A CA 0.201 52.251 52.037 0.023 0.000 0.823 142 A CB -0.058 18.992 19.000 0.085 0.000 0.846 142 A HN 0.347 nan 8.150 nan 0.000 0.486 143 I N -1.279 119.265 120.570 -0.043 0.000 3.565 143 I HA 0.213 4.369 4.170 -0.024 0.000 0.287 143 I C -0.087 175.896 176.117 -0.224 0.000 1.193 143 I CA 0.305 61.575 61.300 -0.050 0.000 1.402 143 I CB 0.522 38.490 38.000 -0.054 0.000 1.284 143 I HN 0.355 nan 8.210 nan 0.000 0.454 144 L N -2.904 118.096 121.223 -0.372 0.000 2.622 144 L HA 0.668 4.994 4.340 -0.024 0.000 0.258 144 L C -3.201 173.386 176.870 -0.471 0.000 0.996 144 L CA -1.972 52.418 54.840 -0.750 0.000 0.858 144 L CB 0.740 42.417 42.059 -0.637 0.000 1.449 144 L HN -0.296 nan 8.230 nan 0.000 0.411 145 P HA 0.438 nan 4.420 nan 0.000 0.276 145 P C -0.914 176.272 177.300 -0.190 0.000 1.235 145 P CA -0.300 62.643 63.100 -0.262 0.000 0.772 145 P CB 0.703 32.267 31.700 -0.226 0.000 0.871 146 C N 0.662 119.889 119.300 -0.123 0.000 3.275 146 C HA 0.372 4.818 4.460 -0.024 0.000 0.340 146 C C -0.815 174.148 174.990 -0.045 0.000 1.366 146 C CA -0.948 58.020 59.018 -0.084 0.000 1.227 146 C CB 0.790 28.473 27.740 -0.095 0.000 1.512 146 C HN 0.464 nan 8.230 nan 0.000 0.461 147 Q N 1.116 120.902 119.800 -0.024 0.000 2.452 147 Q HA 0.202 4.528 4.340 -0.024 0.000 0.230 147 Q C -0.570 175.439 176.000 0.016 0.000 1.180 147 Q CA 0.271 56.073 55.803 -0.002 0.000 0.914 147 Q CB 0.263 29.003 28.738 0.003 0.000 1.408 147 Q HN 0.605 nan 8.270 nan 0.000 0.520 148 D N 2.467 122.882 120.400 0.025 0.000 2.608 148 D HA 0.035 4.661 4.640 -0.024 0.000 0.224 148 D C -0.947 175.429 176.300 0.127 0.000 1.123 148 D CA 0.287 54.325 54.000 0.063 0.000 1.030 148 D CB 0.135 40.958 40.800 0.037 0.000 1.093 148 D HN 0.305 nan 8.370 nan 0.000 0.497 149 T N 1.037 115.663 114.554 0.119 0.000 2.993 149 T HA 0.378 4.713 4.350 -0.024 0.000 0.312 149 T C -2.425 172.313 174.700 0.063 0.000 1.115 149 T CA -1.587 60.574 62.100 0.103 0.000 1.027 149 T CB 1.968 70.863 68.868 0.044 0.000 1.116 149 T HN -0.097 nan 8.240 nan 0.000 0.464 150 P HA 0.074 nan 4.420 nan 0.000 0.245 150 P C 1.172 178.428 177.300 -0.073 0.000 1.212 150 P CA 0.294 63.371 63.100 -0.039 0.000 0.774 150 P CB -0.076 31.446 31.700 -0.297 0.000 0.999 151 S N -1.748 113.908 115.700 -0.073 0.000 2.522 151 S HA 0.058 4.514 4.470 -0.024 0.000 0.227 151 S C 0.806 175.392 174.600 -0.022 0.000 0.986 151 S CA 0.021 58.189 58.200 -0.053 0.000 0.929 151 S CB -0.657 62.517 63.200 -0.043 0.000 0.769 151 S HN -0.071 nan 8.310 nan 0.000 0.529 152 V N 1.989 121.898 119.914 -0.008 0.000 2.448 152 V HA 0.474 4.579 4.120 -0.024 0.000 0.295 152 V C -0.452 175.644 176.094 0.004 0.000 1.025 152 V CA -0.737 61.564 62.300 0.002 0.000 0.859 152 V CB 1.746 33.573 31.823 0.006 0.000 0.988 152 V HN 0.255 nan 8.190 nan 0.000 0.431 153 K N 5.719 126.125 120.400 0.009 0.000 2.345 153 K HA 0.820 5.126 4.320 -0.024 0.000 0.255 153 K C -1.201 175.414 176.600 0.026 0.000 0.934 153 K CA -0.653 55.644 56.287 0.017 0.000 0.801 153 K CB 2.459 34.978 32.500 0.031 0.000 1.137 153 K HN 0.647 nan 8.250 nan 0.000 0.424 154 L N -1.265 119.977 121.223 0.032 0.000 2.376 154 L HA 0.650 4.975 4.340 -0.024 0.000 0.258 154 L C -0.048 176.860 176.870 0.065 0.000 1.013 154 L CA -0.931 53.934 54.840 0.042 0.000 0.822 154 L CB 1.843 43.913 42.059 0.019 0.000 1.388 154 L HN 0.590 nan 8.230 nan 0.000 0.413 155 T N -1.303 113.298 114.554 0.079 0.000 2.881 155 T HA 0.691 5.027 4.350 -0.024 0.000 0.278 155 T C -0.637 174.007 174.700 -0.094 0.000 0.982 155 T CA -0.359 61.788 62.100 0.079 0.000 0.989 155 T CB 1.270 70.256 68.868 0.196 0.000 1.058 155 T HN 0.869 nan 8.240 nan 0.000 0.529 156 Y N -1.443 118.724 120.300 -0.222 0.000 2.597 156 Y HA 0.725 5.254 4.550 -0.035 0.000 0.340 156 Y C -0.830 175.030 175.900 -0.067 0.000 1.097 156 Y CA -1.150 56.713 58.100 -0.395 0.000 1.037 156 Y CB 1.223 39.534 38.460 -0.248 0.000 1.305 156 Y HN 1.015 nan 8.280 nan 0.000 0.463 157 T N 0.256 114.932 114.554 0.202 0.000 2.906 157 T HA 0.969 5.304 4.350 -0.024 0.000 0.295 157 T C -0.869 173.980 174.700 0.248 0.000 1.061 157 T CA -0.381 61.897 62.100 0.297 0.000 1.000 157 T CB 1.672 70.845 68.868 0.509 0.000 1.103 157 T HN 1.602 nan 8.240 nan 0.000 0.486 158 A N 1.552 124.515 122.820 0.237 0.000 2.574 158 A HA 0.756 5.061 4.320 -0.024 0.000 0.297 158 A C -1.352 176.348 177.584 0.192 0.000 1.062 158 A CA -1.072 51.048 52.037 0.138 0.000 0.686 158 A CB 1.432 20.615 19.000 0.306 0.000 1.285 158 A HN 0.875 nan 8.150 nan 0.000 0.403 159 E N 0.751 121.010 120.200 0.097 0.000 2.218 159 E HA 0.554 4.889 4.350 -0.024 0.000 0.263 159 E C -1.339 175.355 176.600 0.156 0.000 0.879 159 E CA -0.822 55.663 56.400 0.141 0.000 0.762 159 E CB 2.458 32.228 29.700 0.117 0.000 1.166 159 E HN 0.304 nan 8.360 nan 0.000 0.415 160 V N 2.093 122.146 119.914 0.232 0.000 2.444 160 V HA 0.327 4.432 4.120 -0.024 0.000 0.294 160 V C -0.283 175.937 176.094 0.211 0.000 1.022 160 V CA -0.762 61.669 62.300 0.219 0.000 0.850 160 V CB 1.709 33.703 31.823 0.285 0.000 0.992 160 V HN 0.670 nan 8.190 nan 0.000 0.426 161 S N 4.681 120.465 115.700 0.140 0.000 2.438 161 S HA 0.760 5.215 4.470 -0.024 0.000 0.293 161 S C -0.490 174.201 174.600 0.151 0.000 1.141 161 S CA -0.415 57.862 58.200 0.128 0.000 1.080 161 S CB 0.935 64.181 63.200 0.077 0.000 0.978 161 S HN 1.048 nan 8.310 nan 0.000 0.479 162 V N 2.602 122.634 119.914 0.197 0.000 3.130 162 V HA 0.777 4.882 4.120 -0.024 0.000 0.310 162 V C -3.029 173.191 176.094 0.209 0.000 1.158 162 V CA -2.962 59.475 62.300 0.228 0.000 1.029 162 V CB 1.112 33.093 31.823 0.263 0.000 1.057 162 V HN 0.601 nan 8.190 nan 0.000 0.436 163 P HA 0.110 nan 4.420 nan 0.000 0.265 163 P C 0.504 177.888 177.300 0.139 0.000 1.187 163 P CA 0.109 63.309 63.100 0.166 0.000 0.766 163 P CB 0.352 32.154 31.700 0.169 0.000 0.820 164 K N 3.728 124.190 120.400 0.103 0.000 2.283 164 K HA -0.141 4.165 4.320 -0.024 0.000 0.202 164 K C 0.956 177.604 176.600 0.080 0.000 1.048 164 K CA 1.204 57.544 56.287 0.089 0.000 0.948 164 K CB -0.200 32.332 32.500 0.053 0.000 0.742 164 K HN 0.387 nan 8.250 nan 0.000 0.458 165 E N 1.444 121.672 120.200 0.047 0.000 2.502 165 E HA 0.018 4.354 4.350 -0.024 0.000 0.194 165 E C 0.618 177.151 176.600 -0.113 0.000 1.062 165 E CA 0.172 56.560 56.400 -0.021 0.000 0.867 165 E CB -0.167 29.524 29.700 -0.015 0.000 0.888 165 E HN 0.376 nan 8.360 nan 0.000 0.510 166 L N 0.514 121.717 121.223 -0.032 0.000 2.331 166 L HA 0.503 4.829 4.340 -0.024 0.000 0.268 166 L C -0.241 176.651 176.870 0.035 0.000 1.015 166 L CA -1.309 53.495 54.840 -0.060 0.000 0.807 166 L CB 1.971 44.000 42.059 -0.049 0.000 1.293 166 L HN -0.234 nan 8.230 nan 0.000 0.451 167 V N 0.534 120.381 119.914 -0.113 0.000 2.540 167 V HA 0.660 4.766 4.120 -0.024 0.000 0.302 167 V C -0.077 175.694 176.094 -0.539 0.000 1.035 167 V CA -0.617 61.457 62.300 -0.377 0.000 0.873 167 V CB 1.697 33.401 31.823 -0.198 0.000 0.992 167 V HN 0.842 nan 8.190 nan 0.000 0.428 168 A N 5.716 127.972 122.820 -0.940 0.000 2.312 168 A HA 0.945 5.250 4.320 -0.024 0.000 0.326 168 A C -0.881 176.483 177.584 -0.368 0.000 1.172 168 A CA -0.452 51.307 52.037 -0.463 0.000 0.821 168 A CB 0.740 19.671 19.000 -0.114 0.000 1.166 168 A HN 0.785 nan 8.150 nan 0.000 0.493 169 L N 1.690 122.686 121.223 -0.379 0.000 2.371 169 L HA 0.693 5.019 4.340 -0.024 0.000 0.262 169 L C -0.246 176.256 176.870 -0.614 0.000 1.006 169 L CA -0.366 54.211 54.840 -0.439 0.000 0.818 169 L CB 2.223 43.935 42.059 -0.578 0.000 1.354 169 L HN 0.737 nan 8.230 nan 0.000 0.415 170 M N 0.061 119.185 119.600 -0.794 0.000 2.704 170 M HA 0.300 4.765 4.480 -0.024 0.000 0.284 170 M C -0.209 175.939 176.300 -0.254 0.000 1.275 170 M CA -0.711 54.224 55.300 -0.607 0.000 0.811 170 M CB 2.514 34.522 32.600 -0.985 0.000 1.741 170 M HN 0.566 nan 8.290 nan 0.000 0.458 171 S N 0.468 116.103 115.700 -0.109 0.000 4.183 171 S HA 0.656 5.112 4.470 -0.024 0.000 0.195 171 S C -0.366 174.233 174.600 -0.002 0.000 1.421 171 S CA -0.283 57.881 58.200 -0.061 0.000 0.920 171 S CB -0.931 62.209 63.200 -0.100 0.000 1.525 171 S HN 0.745 nan 8.310 nan 0.000 0.447 172 A N 2.114 124.918 122.820 -0.027 0.000 2.515 172 A HA 0.590 4.895 4.320 -0.024 0.000 0.292 172 A C -1.112 176.526 177.584 0.090 0.000 1.065 172 A CA -0.954 51.062 52.037 -0.035 0.000 0.641 172 A CB 0.418 19.311 19.000 -0.179 0.000 1.306 172 A HN 0.394 nan 8.150 nan 0.000 0.441 173 I N 1.430 122.057 120.570 0.095 0.000 2.441 173 I HA 0.241 4.396 4.170 -0.024 0.000 0.287 173 I C 0.816 177.041 176.117 0.180 0.000 1.049 173 I CA -0.014 61.365 61.300 0.132 0.000 1.381 173 I CB 0.580 38.635 38.000 0.092 0.000 1.409 173 I HN 0.636 nan 8.210 nan 0.000 0.523 174 R N 3.990 124.602 120.500 0.187 0.000 2.484 174 R HA 0.001 4.327 4.340 -0.024 0.000 0.293 174 R C -0.059 176.243 176.300 0.002 0.000 1.023 174 R CA 0.129 56.290 56.100 0.102 0.000 1.037 174 R CB 0.485 30.864 30.300 0.132 0.000 0.951 174 R HN 0.472 nan 8.270 nan 0.000 0.418 175 D N 1.225 121.550 120.400 -0.124 0.000 2.535 175 D HA 0.208 4.833 4.640 -0.024 0.000 0.229 175 D C -0.053 176.186 176.300 -0.101 0.000 1.238 175 D CA 0.439 54.391 54.000 -0.079 0.000 0.824 175 D CB 0.681 41.445 40.800 -0.059 0.000 1.045 175 D HN 0.780 nan 8.370 nan 0.000 0.500 176 G N 0.822 109.551 108.800 -0.119 0.000 2.440 176 G HA2 0.122 4.068 3.960 -0.024 0.000 0.684 176 G HA3 0.122 4.068 3.960 -0.024 0.000 0.684 176 G C -1.114 173.684 174.900 -0.169 0.000 1.309 176 G CA -0.478 44.562 45.100 -0.101 0.000 0.931 176 G HN 0.240 nan 8.290 nan 0.000 0.612 177 E N -1.475 118.613 120.200 -0.187 0.000 2.340 177 E HA 0.832 5.168 4.350 -0.024 0.000 0.273 177 E C -0.330 176.124 176.600 -0.244 0.000 0.891 177 E CA -0.431 55.758 56.400 -0.352 0.000 0.757 177 E CB 2.541 31.881 29.700 -0.600 0.000 1.231 177 E HN 1.331 nan 8.360 nan 0.000 0.439 178 T N -1.042 113.363 114.554 -0.248 0.000 2.868 178 T HA 0.525 4.860 4.350 -0.024 0.000 0.306 178 T C -2.917 171.698 174.700 -0.142 0.000 1.224 178 T CA -2.179 59.831 62.100 -0.151 0.000 1.012 178 T CB 1.280 70.090 68.868 -0.096 0.000 1.221 178 T HN 0.247 nan 8.240 nan 0.000 0.499 179 P HA 0.223 nan 4.420 nan 0.000 0.269 179 P C -0.652 176.621 177.300 -0.045 0.000 1.209 179 P CA -0.129 62.935 63.100 -0.061 0.000 0.776 179 P CB 0.277 31.955 31.700 -0.036 0.000 0.876 180 D N 3.184 123.569 120.400 -0.026 0.000 2.339 180 D HA 0.065 4.690 4.640 -0.024 0.000 0.256 180 D C -1.524 174.774 176.300 -0.004 0.000 1.214 180 D CA -1.913 52.082 54.000 -0.008 0.000 0.877 180 D CB 0.504 41.310 40.800 0.010 0.000 1.111 180 D HN 0.141 nan 8.370 nan 0.000 0.478 181 P HA -0.030 nan 4.420 nan 0.000 0.226 181 P C 0.527 177.829 177.300 0.003 0.000 1.153 181 P CA 0.764 63.863 63.100 -0.002 0.000 0.777 181 P CB 0.350 32.049 31.700 -0.002 0.000 0.794 182 E N -1.028 119.176 120.200 0.006 0.000 2.442 182 E HA 0.008 4.344 4.350 -0.024 0.000 0.195 182 E C 0.044 176.651 176.600 0.010 0.000 1.030 182 E CA 0.328 56.733 56.400 0.008 0.000 0.869 182 E CB 0.119 29.825 29.700 0.010 0.000 0.857 182 E HN 0.102 nan 8.360 nan 0.000 0.505 183 D N -0.758 119.650 120.400 0.012 0.000 2.251 183 D HA 0.056 4.682 4.640 -0.024 0.000 0.210 183 D C -2.512 173.799 176.300 0.018 0.000 1.304 183 D CA -1.440 52.570 54.000 0.017 0.000 0.912 183 D CB 1.237 42.051 40.800 0.024 0.000 1.553 183 D HN -0.234 nan 8.370 nan 0.000 0.526 184 P HA 0.023 nan 4.420 nan 0.000 0.245 184 P C 1.069 178.382 177.300 0.021 0.000 1.212 184 P CA 0.378 63.486 63.100 0.013 0.000 0.774 184 P CB 0.128 31.834 31.700 0.010 0.000 0.999 185 S N -1.656 114.061 115.700 0.030 0.000 2.607 185 S HA 0.114 4.570 4.470 -0.024 0.000 0.224 185 S C 0.844 175.476 174.600 0.053 0.000 0.969 185 S CA -0.175 58.050 58.200 0.042 0.000 0.927 185 S CB -0.401 62.827 63.200 0.046 0.000 0.772 185 S HN 0.045 nan 8.310 nan 0.000 0.533 186 R N 0.021 120.548 120.500 0.046 0.000 2.888 186 R HA 0.636 4.962 4.340 -0.024 0.000 0.266 186 R C -1.066 175.252 176.300 0.030 0.000 1.020 186 R CA -0.836 55.299 56.100 0.058 0.000 0.963 186 R CB 1.481 31.820 30.300 0.065 0.000 1.197 186 R HN 0.088 nan 8.270 nan 0.000 0.481 187 K N 1.226 121.649 120.400 0.039 0.000 2.318 187 K HA 0.494 4.799 4.320 -0.024 0.000 0.249 187 K C -0.809 175.768 176.600 -0.039 0.000 0.942 187 K CA -0.632 55.621 56.287 -0.056 0.000 0.808 187 K CB 2.049 34.466 32.500 -0.138 0.000 1.189 187 K HN 0.373 nan 8.250 nan 0.000 0.428 188 I N 3.198 123.694 120.570 -0.124 0.000 2.321 188 I HA 0.246 4.402 4.170 -0.024 0.000 0.291 188 I C -0.881 175.111 176.117 -0.207 0.000 0.998 188 I CA -0.697 60.566 61.300 -0.063 0.000 1.227 188 I CB 0.572 38.554 38.000 -0.030 0.000 1.368 188 I HN 0.423 nan 8.210 nan 0.000 0.466 189 Y N 5.734 126.009 120.300 -0.041 0.000 2.342 189 Y HA 0.455 4.993 4.550 -0.019 0.000 0.334 189 Y C 0.130 175.779 175.900 -0.418 0.000 1.067 189 Y CA -0.558 57.411 58.100 -0.218 0.000 1.128 189 Y CB 1.427 39.811 38.460 -0.127 0.000 1.200 189 Y HN 0.383 nan 8.280 nan 0.000 0.464 190 K N 3.152 123.239 120.400 -0.521 0.000 2.208 190 K HA 0.681 4.986 4.320 -0.024 0.000 0.247 190 K C -1.708 174.382 176.600 -0.850 0.000 0.953 190 K CA -0.794 55.222 56.287 -0.452 0.000 0.837 190 K CB 1.751 34.150 32.500 -0.169 0.000 1.131 190 K HN 0.414 nan 8.250 nan 0.000 0.431 191 F N 1.278 121.274 119.950 0.076 0.000 2.608 191 F HA 0.523 5.043 4.527 -0.011 0.000 0.309 191 F C -0.609 175.176 175.800 -0.025 0.000 1.103 191 F CA -0.899 57.118 58.000 0.029 0.000 0.954 191 F CB 1.538 40.570 39.000 0.054 0.000 1.267 191 F HN 0.312 nan 8.300 nan 0.000 0.444 192 I N 2.401 123.022 120.570 0.085 0.000 2.534 192 I HA 0.465 4.620 4.170 -0.024 0.000 0.288 192 I C -1.610 174.402 176.117 -0.175 0.000 1.077 192 I CA -0.531 60.743 61.300 -0.044 0.000 1.051 192 I CB 1.629 39.641 38.000 0.019 0.000 1.234 192 I HN 0.612 nan 8.210 nan 0.000 0.425 193 Q N 6.687 126.255 119.800 -0.387 0.000 2.413 193 Q HA 0.370 4.696 4.340 -0.024 0.000 0.258 193 Q C -0.510 175.412 176.000 -0.130 0.000 1.037 193 Q CA -0.224 55.383 55.803 -0.326 0.000 0.764 193 Q CB 1.479 29.817 28.738 -0.668 0.000 1.217 193 Q HN 0.646 nan 8.270 nan 0.000 0.490 194 K N 1.726 122.091 120.400 -0.058 0.000 2.400 194 K HA 0.161 4.467 4.320 -0.024 0.000 0.194 194 K C -0.169 176.383 176.600 -0.080 0.000 1.033 194 K CA 0.219 56.478 56.287 -0.046 0.000 1.021 194 K CB 0.683 33.148 32.500 -0.057 0.000 0.808 194 K HN 0.316 nan 8.250 nan 0.000 0.505 195 V N 3.669 123.534 119.914 -0.081 0.000 2.407 195 V HA 0.165 4.271 4.120 -0.024 0.000 0.278 195 V C -2.368 173.731 176.094 0.008 0.000 1.037 195 V CA -2.357 59.849 62.300 -0.156 0.000 0.900 195 V CB 1.008 32.520 31.823 -0.517 0.000 0.983 195 V HN 0.001 nan 8.190 nan 0.000 0.459 196 P HA 0.290 nan 4.420 nan 0.000 0.268 196 P C -0.599 176.781 177.300 0.134 0.000 1.204 196 P CA 0.233 63.371 63.100 0.064 0.000 0.768 196 P CB 0.359 32.078 31.700 0.032 0.000 0.842 197 I N -0.132 120.504 120.570 0.109 0.000 2.865 197 I HA 0.679 4.835 4.170 -0.024 0.000 0.302 197 I C -2.819 173.280 176.117 -0.030 0.000 1.140 197 I CA -3.433 57.906 61.300 0.066 0.000 1.021 197 I CB 2.644 40.683 38.000 0.065 0.000 1.233 197 I HN 0.073 nan 8.210 nan 0.000 0.427 198 P HA 0.054 nan 4.420 nan 0.000 0.272 198 P C 0.787 177.967 177.300 -0.201 0.000 1.223 198 P CA -0.302 62.712 63.100 -0.144 0.000 0.784 198 P CB 1.123 32.715 31.700 -0.181 0.000 0.923 199 C N 0.646 119.905 119.300 -0.067 0.000 2.456 199 C HA -0.067 4.379 4.460 -0.024 0.000 0.279 199 C C 2.587 177.551 174.990 -0.044 0.000 1.427 199 C CA 0.182 59.154 59.018 -0.076 0.000 1.778 199 C CB -2.592 25.121 27.740 -0.045 0.000 1.842 199 C HN 0.630 nan 8.230 nan 0.000 0.531 200 Y N 1.087 121.413 120.300 0.043 0.000 2.483 200 Y HA 0.182 4.680 4.550 -0.086 0.000 0.291 200 Y C 1.821 177.705 175.900 -0.026 0.000 1.143 200 Y CA 0.720 58.851 58.100 0.050 0.000 1.289 200 Y CB -0.905 37.681 38.460 0.209 0.000 0.983 200 Y HN 0.273 nan 8.280 nan 0.000 0.556 201 L N 0.826 121.800 121.223 -0.416 0.000 2.591 201 L HA 0.179 4.505 4.340 -0.024 0.000 0.228 201 L C 0.506 177.236 176.870 -0.232 0.000 1.133 201 L CA -0.132 54.492 54.840 -0.359 0.000 0.880 201 L CB -0.134 41.638 42.059 -0.480 0.000 1.033 201 L HN 0.163 nan 8.230 nan 0.000 0.450 202 I N 1.005 121.443 120.570 -0.220 0.000 2.618 202 I HA 0.140 4.296 4.170 -0.024 0.000 0.284 202 I C 0.442 176.415 176.117 -0.239 0.000 1.146 202 I CA 0.196 61.322 61.300 -0.289 0.000 1.425 202 I CB 0.613 38.364 38.000 -0.415 0.000 1.383 202 I HN 0.043 nan 8.210 nan 0.000 0.562 203 A N 6.957 129.635 122.820 -0.237 0.000 2.572 203 A HA 0.857 5.162 4.320 -0.024 0.000 0.295 203 A C -1.639 175.861 177.584 -0.140 0.000 1.072 203 A CA -0.486 51.425 52.037 -0.211 0.000 0.691 203 A CB 1.867 20.598 19.000 -0.449 0.000 1.291 203 A HN 0.541 nan 8.150 nan 0.000 0.404 204 L N 1.426 122.632 121.223 -0.029 0.000 2.455 204 L HA 0.845 5.171 4.340 -0.024 0.000 0.264 204 L C -1.497 175.389 176.870 0.028 0.000 0.968 204 L CA -0.568 54.223 54.840 -0.082 0.000 0.827 204 L CB 1.975 43.947 42.059 -0.145 0.000 1.317 204 L HN 1.072 nan 8.230 nan 0.000 0.407 205 V N 5.424 125.274 119.914 -0.107 0.000 2.789 205 V HA 0.878 4.984 4.120 -0.024 0.000 0.311 205 V C -1.549 174.359 176.094 -0.310 0.000 1.073 205 V CA -0.346 61.827 62.300 -0.211 0.000 0.921 205 V CB 2.407 34.022 31.823 -0.346 0.000 1.009 205 V HN 0.606 nan 8.190 nan 0.000 0.426 206 V N 5.661 125.367 119.914 -0.346 0.000 2.623 206 V HA 1.021 5.127 4.120 -0.024 0.000 0.304 206 V C 0.333 176.217 176.094 -0.350 0.000 1.054 206 V CA 0.463 62.621 62.300 -0.236 0.000 0.882 206 V CB 1.116 32.945 31.823 0.010 0.000 1.002 206 V HN 1.369 nan 8.190 nan 0.000 0.424 207 G N 2.709 111.300 108.800 -0.348 0.000 2.428 207 G HA2 0.608 4.554 3.960 -0.024 0.000 0.304 207 G HA3 0.608 4.554 3.960 -0.024 0.000 0.304 207 G C -0.993 173.810 174.900 -0.161 0.000 1.303 207 G CA -0.072 44.835 45.100 -0.321 0.000 0.825 207 G HN 1.096 nan 8.290 nan 0.000 0.484 208 A N 0.455 123.249 122.820 -0.044 0.000 2.915 208 A HA 0.635 4.941 4.320 -0.024 0.000 0.292 208 A C 0.094 177.718 177.584 0.067 0.000 1.632 208 A CA -0.018 51.994 52.037 -0.042 0.000 1.337 208 A CB -0.988 18.009 19.000 -0.005 0.000 1.111 208 A HN 0.526 nan 8.150 nan 0.000 0.569 209 L N 1.617 122.883 121.223 0.072 0.000 2.309 209 L HA 0.481 4.807 4.340 -0.024 0.000 0.282 209 L C 0.312 177.328 176.870 0.244 0.000 1.036 209 L CA -0.317 54.638 54.840 0.191 0.000 0.806 209 L CB 1.538 43.723 42.059 0.211 0.000 1.220 209 L HN 0.602 nan 8.230 nan 0.000 0.429 210 E N 1.137 121.450 120.200 0.189 0.000 2.320 210 E HA 0.593 4.929 4.350 -0.024 0.000 0.264 210 E C -1.094 175.409 176.600 -0.162 0.000 0.923 210 E CA -0.709 55.716 56.400 0.043 0.000 0.796 210 E CB 2.460 32.164 29.700 0.007 0.000 1.262 210 E HN 0.611 nan 8.360 nan 0.000 0.428 211 S N 0.995 116.404 115.700 -0.484 0.000 2.568 211 S HA 0.699 5.155 4.470 -0.024 0.000 0.293 211 S C -0.666 173.660 174.600 -0.456 0.000 1.089 211 S CA -0.990 56.688 58.200 -0.869 0.000 0.945 211 S CB 2.325 64.463 63.200 -1.770 0.000 1.077 211 S HN 0.566 nan 8.310 nan 0.000 0.485 212 R N 1.042 121.324 120.500 -0.364 0.000 2.621 212 R HA 0.393 4.719 4.340 -0.024 0.000 0.284 212 R C -1.108 175.100 176.300 -0.153 0.000 0.998 212 R CA -0.485 55.498 56.100 -0.195 0.000 0.895 212 R CB 1.760 31.999 30.300 -0.101 0.000 1.195 212 R HN 0.871 nan 8.270 nan 0.000 0.450 213 Q N 4.246 123.987 119.800 -0.099 0.000 2.304 213 Q HA 0.198 4.524 4.340 -0.024 0.000 0.260 213 Q C 0.401 176.399 176.000 -0.004 0.000 0.965 213 Q CA 0.107 55.884 55.803 -0.044 0.000 0.898 213 Q CB 0.836 29.561 28.738 -0.023 0.000 1.196 213 Q HN 0.784 nan 8.270 nan 0.000 0.402 214 I N 0.209 120.794 120.570 0.025 0.000 4.327 214 I HA 0.602 4.758 4.170 -0.024 0.000 0.331 214 I C 0.400 176.551 176.117 0.056 0.000 1.348 214 I CA -0.244 61.085 61.300 0.048 0.000 1.152 214 I CB 1.049 39.094 38.000 0.075 0.000 1.151 214 I HN 0.529 nan 8.210 nan 0.000 0.410 215 G N 1.336 110.170 108.800 0.058 0.000 2.600 215 G HA2 0.398 4.343 3.960 -0.024 0.000 0.293 215 G HA3 0.398 4.343 3.960 -0.024 0.000 0.293 215 G C -2.669 172.265 174.900 0.057 0.000 1.408 215 G CA -0.429 44.705 45.100 0.057 0.000 0.782 215 G HN -0.234 nan 8.290 nan 0.000 0.482 216 P HA -0.060 nan 4.420 nan 0.000 0.222 216 P C 0.798 178.142 177.300 0.074 0.000 1.147 216 P CA 0.942 64.076 63.100 0.056 0.000 0.790 216 P CB 0.213 31.944 31.700 0.051 0.000 0.780 217 R N -1.940 118.611 120.500 0.086 0.000 2.642 217 R HA 0.381 4.707 4.340 -0.024 0.000 0.435 217 R C -0.717 175.669 176.300 0.143 0.000 1.046 217 R CA -0.318 55.852 56.100 0.116 0.000 1.103 217 R CB -0.162 30.210 30.300 0.120 0.000 1.425 217 R HN -0.194 nan 8.270 nan 0.000 0.586 218 T N 2.127 116.756 114.554 0.125 0.000 3.031 218 T HA 0.414 4.749 4.350 -0.024 0.000 0.305 218 T C -0.697 174.058 174.700 0.092 0.000 0.985 218 T CA -0.518 61.665 62.100 0.138 0.000 1.008 218 T CB 1.777 70.748 68.868 0.172 0.000 1.005 218 T HN 0.112 nan 8.240 nan 0.000 0.444 219 L N 3.137 124.415 121.223 0.091 0.000 2.325 219 L HA 0.750 5.076 4.340 -0.024 0.000 0.278 219 L C 0.412 177.279 176.870 -0.004 0.000 1.023 219 L CA -1.445 53.378 54.840 -0.028 0.000 0.811 219 L CB 1.670 43.639 42.059 -0.151 0.000 1.249 219 L HN 0.455 nan 8.230 nan 0.000 0.431 220 V N -1.326 118.550 119.914 -0.064 0.000 2.465 220 V HA 0.448 4.554 4.120 -0.024 0.000 0.279 220 V C -1.146 174.871 176.094 -0.128 0.000 1.045 220 V CA -0.482 61.831 62.300 0.023 0.000 0.938 220 V CB 0.810 32.705 31.823 0.119 0.000 0.986 220 V HN 0.644 nan 8.190 nan 0.000 0.467 221 W N 2.899 124.202 121.300 0.005 0.000 2.632 221 W HA 0.822 5.467 4.660 -0.025 0.000 0.328 221 W C 0.378 176.888 176.519 -0.016 0.000 1.044 221 W CA -0.110 57.227 57.345 -0.013 0.000 1.225 221 W CB 2.062 31.491 29.460 -0.052 0.000 1.396 221 W HN 0.909 nan 8.180 nan 0.000 0.499 222 S N 0.228 116.066 115.700 0.231 0.000 2.655 222 S HA 0.236 4.692 4.470 -0.024 0.000 0.266 222 S C -1.206 173.491 174.600 0.161 0.000 1.149 222 S CA -0.888 57.410 58.200 0.163 0.000 0.818 222 S CB 0.600 63.863 63.200 0.106 0.000 1.130 222 S HN 0.478 nan 8.310 nan 0.000 0.476 223 E N 1.524 121.813 120.200 0.147 0.000 2.415 223 E HA 0.071 4.407 4.350 -0.024 0.000 0.262 223 E C 0.710 177.360 176.600 0.083 0.000 1.038 223 E CA -0.090 56.386 56.400 0.127 0.000 0.921 223 E CB 0.499 30.266 29.700 0.112 0.000 0.950 223 E HN 0.524 nan 8.360 nan 0.000 0.438 224 K N 2.345 122.789 120.400 0.073 0.000 2.107 224 K HA -0.298 4.007 4.320 -0.024 0.000 0.211 224 K C 1.302 177.923 176.600 0.035 0.000 1.049 224 K CA 2.009 58.325 56.287 0.047 0.000 0.927 224 K CB 0.076 32.605 32.500 0.048 0.000 0.714 224 K HN 0.363 nan 8.250 nan 0.000 0.452 225 E N 0.108 120.330 120.200 0.038 0.000 2.265 225 E HA -0.183 4.153 4.350 -0.024 0.000 0.196 225 E C 1.673 178.285 176.600 0.020 0.000 0.996 225 E CA 1.191 57.606 56.400 0.025 0.000 0.832 225 E CB 0.071 29.786 29.700 0.025 0.000 0.756 225 E HN 0.328 nan 8.360 nan 0.000 0.491 226 Q N -1.083 118.734 119.800 0.028 0.000 2.352 226 Q HA 0.135 4.461 4.340 -0.024 0.000 0.212 226 Q C 1.750 177.767 176.000 0.028 0.000 0.888 226 Q CA 0.009 55.829 55.803 0.027 0.000 0.934 226 Q CB 0.601 29.361 28.738 0.038 0.000 1.093 226 Q HN 0.093 nan 8.270 nan 0.000 0.523 227 V N 0.782 120.712 119.914 0.026 0.000 2.255 227 V HA -0.316 3.790 4.120 -0.024 0.000 0.247 227 V C 2.148 178.247 176.094 0.009 0.000 1.051 227 V CA 2.328 64.638 62.300 0.017 0.000 1.018 227 V CB -0.358 31.462 31.823 -0.006 0.000 0.641 227 V HN 0.459 nan 8.190 nan 0.000 0.445 228 E N 0.013 120.214 120.200 0.002 0.000 2.031 228 E HA -0.250 4.085 4.350 -0.024 0.000 0.193 228 E C 2.359 178.963 176.600 0.006 0.000 0.994 228 E CA 1.437 57.838 56.400 0.001 0.000 0.800 228 E CB -0.083 29.611 29.700 -0.010 0.000 0.752 228 E HN 0.511 nan 8.360 nan 0.000 0.447 229 K N -0.014 120.380 120.400 -0.011 0.000 2.063 229 K HA -0.105 4.200 4.320 -0.024 0.000 0.208 229 K C 2.365 178.923 176.600 -0.070 0.000 1.048 229 K CA 1.414 57.687 56.287 -0.023 0.000 0.928 229 K CB -0.064 32.417 32.500 -0.033 0.000 0.713 229 K HN 0.030 nan 8.250 nan 0.000 0.442 230 S N 0.755 116.412 115.700 -0.072 0.000 2.368 230 S HA -0.129 4.327 4.470 -0.024 0.000 0.224 230 S C 2.091 176.623 174.600 -0.113 0.000 1.029 230 S CA 1.170 59.283 58.200 -0.145 0.000 0.988 230 S CB -0.164 63.099 63.200 0.105 0.000 0.838 230 S HN 0.429 nan 8.310 nan 0.000 0.462 231 A N 0.528 123.354 122.820 0.009 0.000 1.902 231 A HA -0.142 4.164 4.320 -0.024 0.000 0.217 231 A C 1.961 179.565 177.584 0.034 0.000 1.181 231 A CA 1.647 53.713 52.037 0.047 0.000 0.623 231 A CB -0.921 18.105 19.000 0.044 0.000 0.818 231 A HN 0.586 nan 8.150 nan 0.000 0.443 232 Y N 0.366 120.612 120.300 -0.090 0.000 2.133 232 Y HA -0.169 4.367 4.550 -0.023 0.000 0.287 232 Y C 2.369 178.183 175.900 -0.143 0.000 1.134 232 Y CA 2.329 60.377 58.100 -0.087 0.000 1.133 232 Y CB -0.400 38.010 38.460 -0.083 0.000 0.987 232 Y HN 0.387 nan 8.280 nan 0.000 0.502 233 E N -0.220 119.811 120.200 -0.281 0.000 2.118 233 E HA -0.184 4.152 4.350 -0.024 0.000 0.195 233 E C 0.760 177.088 176.600 -0.453 0.000 0.992 233 E CA 1.578 57.669 56.400 -0.515 0.000 0.804 233 E CB -0.370 28.809 29.700 -0.868 0.000 0.741 233 E HN 0.456 nan 8.360 nan 0.000 0.458 234 F N -0.271 119.677 119.950 -0.004 0.000 2.750 234 F HA 0.262 4.792 4.527 0.004 0.000 0.297 234 F C 1.663 177.468 175.800 0.007 0.000 1.138 234 F CA 0.090 58.107 58.000 0.028 0.000 1.346 234 F CB -0.352 38.694 39.000 0.076 0.000 0.965 234 F HN -0.021 nan 8.300 nan 0.000 0.514 235 S N -0.838 114.879 115.700 0.028 0.000 2.474 235 S HA -0.168 4.287 4.470 -0.024 0.000 0.235 235 S C 1.389 176.008 174.600 0.033 0.000 0.997 235 S CA 1.008 59.209 58.200 0.002 0.000 0.949 235 S CB -0.409 62.725 63.200 -0.111 0.000 0.766 235 S HN 0.523 nan 8.310 nan 0.000 0.517 236 E N 0.907 121.142 120.200 0.058 0.000 2.511 236 E HA 0.028 4.363 4.350 -0.024 0.000 0.196 236 E C 1.511 178.157 176.600 0.075 0.000 1.066 236 E CA 0.645 57.081 56.400 0.060 0.000 0.871 236 E CB -0.285 29.465 29.700 0.084 0.000 0.863 236 E HN 0.548 nan 8.360 nan 0.000 0.520 237 T N 1.207 115.830 114.554 0.116 0.000 2.635 237 T HA -0.260 4.075 4.350 -0.024 0.000 0.267 237 T C 1.807 176.531 174.700 0.041 0.000 1.040 237 T CA 1.822 63.990 62.100 0.113 0.000 1.156 237 T CB -0.185 68.803 68.868 0.200 0.000 0.863 237 T HN 0.190 nan 8.240 nan 0.000 0.430 238 E N 1.529 121.757 120.200 0.046 0.000 2.085 238 E HA -0.141 4.195 4.350 -0.024 0.000 0.194 238 E C 2.365 178.961 176.600 -0.006 0.000 0.994 238 E CA 1.863 58.271 56.400 0.014 0.000 0.801 238 E CB -0.477 29.240 29.700 0.028 0.000 0.743 238 E HN 0.569 nan 8.360 nan 0.000 0.453 239 S N -0.368 115.330 115.700 -0.002 0.000 2.382 239 S HA -0.204 4.252 4.470 -0.024 0.000 0.228 239 S C 2.163 176.746 174.600 -0.029 0.000 1.027 239 S CA 1.461 59.650 58.200 -0.019 0.000 0.991 239 S CB -0.428 62.754 63.200 -0.030 0.000 0.823 239 S HN 0.304 nan 8.310 nan 0.000 0.469 240 M N 0.831 120.418 119.600 -0.021 0.000 2.117 240 M HA 0.025 4.491 4.480 -0.024 0.000 0.262 240 M C 2.245 178.520 176.300 -0.042 0.000 1.065 240 M CA 1.413 56.700 55.300 -0.022 0.000 1.114 240 M CB -0.629 31.975 32.600 0.007 0.000 1.361 240 M HN 0.317 nan 8.290 nan 0.000 0.408 241 L N -0.130 121.050 121.223 -0.072 0.000 2.046 241 L HA -0.241 4.085 4.340 -0.024 0.000 0.208 241 L C 2.477 179.346 176.870 -0.001 0.000 1.077 241 L CA 1.418 56.213 54.840 -0.075 0.000 0.747 241 L CB -0.572 41.376 42.059 -0.184 0.000 0.896 241 L HN 0.252 nan 8.230 nan 0.000 0.432 242 K N 0.053 120.445 120.400 -0.013 0.000 2.057 242 K HA -0.158 4.147 4.320 -0.024 0.000 0.207 242 K C 2.071 178.657 176.600 -0.023 0.000 1.049 242 K CA 1.386 57.673 56.287 0.000 0.000 0.931 242 K CB -0.202 32.296 32.500 -0.004 0.000 0.714 242 K HN 0.269 nan 8.250 nan 0.000 0.440 243 I N 0.793 121.338 120.570 -0.042 0.000 2.252 243 I HA -0.253 3.902 4.170 -0.024 0.000 0.245 243 I C 2.488 178.531 176.117 -0.123 0.000 1.102 243 I CA 0.988 62.249 61.300 -0.064 0.000 1.385 243 I CB -0.343 37.627 38.000 -0.051 0.000 1.064 243 I HN 0.127 nan 8.210 nan 0.000 0.414 244 A N 0.445 123.174 122.820 -0.152 0.000 1.908 244 A HA -0.248 4.058 4.320 -0.024 0.000 0.218 244 A C 2.221 179.422 177.584 -0.637 0.000 1.181 244 A CA 1.807 53.616 52.037 -0.380 0.000 0.627 244 A CB -0.618 18.227 19.000 -0.258 0.000 0.818 244 A HN 0.450 nan 8.150 nan 0.000 0.445 245 E N -0.739 119.316 120.200 -0.241 0.000 2.077 245 E HA -0.228 4.107 4.350 -0.024 0.000 0.193 245 E C 1.751 178.277 176.600 -0.123 0.000 0.989 245 E CA 1.139 57.509 56.400 -0.051 0.000 0.800 245 E CB -0.201 29.601 29.700 0.170 0.000 0.746 245 E HN 0.648 nan 8.360 nan 0.000 0.452 246 D N 0.636 120.970 120.400 -0.111 0.000 2.149 246 D HA -0.144 4.482 4.640 -0.024 0.000 0.198 246 D C 1.880 178.097 176.300 -0.139 0.000 0.990 246 D CA 1.016 54.962 54.000 -0.090 0.000 0.839 246 D CB 0.017 40.779 40.800 -0.063 0.000 0.948 246 D HN 0.115 nan 8.370 nan 0.000 0.460 247 L N -1.145 119.944 121.223 -0.222 0.000 2.162 247 L HA 0.218 4.544 4.340 -0.024 0.000 0.205 247 L C 2.444 179.126 176.870 -0.314 0.000 1.086 247 L CA 1.096 55.797 54.840 -0.231 0.000 0.778 247 L CB -0.241 41.690 42.059 -0.214 0.000 0.928 247 L HN 0.091 nan 8.230 nan 0.000 0.446 248 G N -1.038 107.405 108.800 -0.596 0.000 2.833 248 G HA2 0.454 4.399 3.960 -0.024 0.000 0.210 248 G HA3 0.454 4.399 3.960 -0.024 0.000 0.210 248 G C 0.715 175.399 174.900 -0.360 0.000 1.139 248 G CA 0.510 45.130 45.100 -0.800 0.000 0.771 248 G HN 0.515 nan 8.290 nan 0.000 0.535 249 G N -0.362 108.349 108.800 -0.149 0.000 2.631 249 G HA2 -0.009 3.937 3.960 -0.024 0.000 0.504 249 G HA3 -0.009 3.937 3.960 -0.024 0.000 0.504 249 G C -3.009 172.133 174.900 0.404 0.000 1.306 249 G CA -0.758 44.419 45.100 0.128 0.000 0.897 249 G HN 0.166 nan 8.290 nan 0.000 0.520 250 P HA 0.171 nan 4.420 nan 0.000 0.261 250 P C -0.383 177.177 177.300 0.434 0.000 1.173 250 P CA 0.319 63.611 63.100 0.319 0.000 0.760 250 P CB 0.129 31.919 31.700 0.152 0.000 0.783 251 Y N 4.594 125.085 120.300 0.318 0.000 2.587 251 Y HA 0.158 4.685 4.550 -0.038 0.000 0.344 251 Y C 1.253 177.133 175.900 -0.035 0.000 1.061 251 Y CA -0.023 58.126 58.100 0.081 0.000 1.370 251 Y CB 0.337 38.902 38.460 0.175 0.000 1.163 251 Y HN 0.217 nan 8.280 nan 0.000 0.527 252 V N 3.281 122.812 119.914 -0.638 0.000 3.649 252 V HA 0.037 4.143 4.120 -0.024 0.000 0.275 252 V C 0.589 176.259 176.094 -0.706 0.000 1.281 252 V CA 0.232 62.162 62.300 -0.617 0.000 1.143 252 V CB -0.782 30.640 31.823 -0.668 0.000 0.892 252 V HN 0.847 nan 8.190 nan 0.000 0.441 253 W N 1.048 121.907 121.300 -0.735 0.000 3.278 253 W HA 0.650 5.339 4.660 0.048 0.000 0.308 253 W C 1.867 178.324 176.519 -0.104 0.000 1.253 253 W CA 0.694 57.753 57.345 -0.476 0.000 1.759 253 W CB 0.267 29.333 29.460 -0.657 0.000 1.093 253 W HN 0.505 nan 8.180 nan 0.000 0.648 254 G N 0.649 109.576 108.800 0.212 0.000 4.163 254 G HA2 -0.385 3.560 3.960 -0.024 0.000 0.300 254 G HA3 -0.385 3.560 3.960 -0.024 0.000 0.300 254 G C 0.190 175.355 174.900 0.441 0.000 1.488 254 G CA 0.430 45.699 45.100 0.281 0.000 1.052 254 G HN 0.187 nan 8.290 nan 0.000 0.687 255 Q N 0.072 120.107 119.800 0.392 0.000 2.230 255 Q HA 0.691 5.017 4.340 -0.024 0.000 0.248 255 Q C -1.192 175.084 176.000 0.459 0.000 0.915 255 Q CA -0.642 55.368 55.803 0.344 0.000 0.900 255 Q CB 1.044 29.926 28.738 0.239 0.000 1.229 255 Q HN 0.671 nan 8.270 nan 0.000 0.439 256 Y N 3.084 123.493 120.300 0.182 0.000 2.805 256 Y HA 0.370 4.894 4.550 -0.043 0.000 0.339 256 Y C -1.319 174.649 175.900 0.113 0.000 1.012 256 Y CA -0.818 57.352 58.100 0.116 0.000 1.262 256 Y CB 0.602 38.996 38.460 -0.110 0.000 1.100 256 Y HN 0.639 nan 8.280 nan 0.000 0.559 257 D N 3.945 124.236 120.400 -0.181 0.000 2.340 257 D HA 0.500 5.126 4.640 -0.024 0.000 0.251 257 D C -0.763 175.381 176.300 -0.259 0.000 1.080 257 D CA -0.108 53.855 54.000 -0.061 0.000 0.971 257 D CB 1.892 42.803 40.800 0.185 0.000 1.137 257 D HN 0.505 nan 8.370 nan 0.000 0.475 258 L N 1.020 122.219 121.223 -0.040 0.000 2.362 258 L HA 0.483 4.808 4.340 -0.024 0.000 0.271 258 L C -1.016 175.892 176.870 0.064 0.000 1.002 258 L CA -1.070 53.728 54.840 -0.069 0.000 0.818 258 L CB 1.871 43.885 42.059 -0.075 0.000 1.298 258 L HN 0.087 nan 8.230 nan 0.000 0.420 259 L N 3.713 124.904 121.223 -0.053 0.000 2.349 259 L HA 0.555 4.881 4.340 -0.024 0.000 0.278 259 L C -0.897 175.854 176.870 -0.199 0.000 0.996 259 L CA -0.327 54.438 54.840 -0.125 0.000 0.825 259 L CB 1.858 43.659 42.059 -0.431 0.000 1.243 259 L HN 0.251 nan 8.230 nan 0.000 0.412 260 V N 6.294 126.165 119.914 -0.071 0.000 2.348 260 V HA 0.327 4.433 4.120 -0.024 0.000 0.270 260 V C 0.453 176.453 176.094 -0.157 0.000 1.037 260 V CA -0.671 61.591 62.300 -0.063 0.000 0.872 260 V CB 0.898 32.788 31.823 0.113 0.000 1.002 260 V HN 0.562 nan 8.190 nan 0.000 0.464 261 L N 6.877 127.903 121.223 -0.328 0.000 2.475 261 L HA 0.453 4.779 4.340 -0.024 0.000 0.253 261 L C -1.887 174.807 176.870 -0.293 0.000 1.198 261 L CA -1.526 53.055 54.840 -0.432 0.000 0.814 261 L CB 0.609 42.181 42.059 -0.810 0.000 1.134 261 L HN 0.384 nan 8.230 nan 0.000 0.478 262 P HA 0.165 nan 4.420 nan 0.000 0.273 262 P C -2.073 175.178 177.300 -0.083 0.000 1.250 262 P CA -1.080 61.877 63.100 -0.238 0.000 0.793 262 P CB -0.182 31.326 31.700 -0.321 0.000 1.011 263 P HA -0.144 nan 4.420 nan 0.000 0.220 263 P C 1.209 178.557 177.300 0.079 0.000 1.148 263 P CA 1.539 64.665 63.100 0.044 0.000 0.803 263 P CB -0.393 31.335 31.700 0.047 0.000 0.782 264 S N -1.941 113.832 115.700 0.122 0.000 2.603 264 S HA -0.063 4.393 4.470 -0.024 0.000 0.229 264 S C 0.573 175.296 174.600 0.204 0.000 0.972 264 S CA -0.354 57.956 58.200 0.183 0.000 0.935 264 S CB -1.394 61.965 63.200 0.265 0.000 0.769 264 S HN -0.023 nan 8.310 nan 0.000 0.536 265 F N 4.894 124.803 119.950 -0.067 0.000 2.602 265 F HA 0.231 4.690 4.527 -0.113 0.000 0.385 265 F C -1.581 174.100 175.800 -0.198 0.000 1.063 265 F CA -2.302 55.571 58.000 -0.212 0.000 1.233 265 F CB 0.766 39.534 39.000 -0.387 0.000 1.067 265 F HN 0.027 nan 8.300 nan 0.000 0.564 266 P HA -0.060 nan 4.420 nan 0.000 0.236 266 P C -0.968 175.614 177.300 -1.197 0.000 1.177 266 P CA 1.214 63.706 63.100 -1.013 0.000 0.773 266 P CB 0.067 31.021 31.700 -1.244 0.000 0.878 267 Y N -1.721 118.051 120.300 -0.879 0.000 2.598 267 Y HA 0.566 5.128 4.550 0.020 0.000 0.340 267 Y C 2.095 177.904 175.900 -0.151 0.000 1.038 267 Y CA -0.597 57.221 58.100 -0.471 0.000 1.100 267 Y CB 0.356 38.576 38.460 -0.400 0.000 1.281 267 Y HN -0.314 nan 8.280 nan 0.000 0.488 268 G N 0.061 108.913 108.800 0.086 0.000 2.422 268 G HA2 0.284 4.230 3.960 -0.024 0.000 0.218 268 G HA3 0.284 4.230 3.960 -0.024 0.000 0.218 268 G C 0.421 175.479 174.900 0.264 0.000 1.146 268 G CA 0.990 46.149 45.100 0.100 0.000 0.769 268 G HN 0.974 nan 8.290 nan 0.000 0.547 269 G N -1.954 107.059 108.800 0.355 0.000 2.608 269 G HA2 0.526 4.472 3.960 -0.024 0.000 0.291 269 G HA3 0.526 4.472 3.960 -0.024 0.000 0.291 269 G C -1.835 173.324 174.900 0.431 0.000 1.425 269 G CA -0.617 44.732 45.100 0.415 0.000 0.787 269 G HN 0.334 nan 8.290 nan 0.000 0.484 270 M N 1.246 121.061 119.600 0.358 0.000 2.271 270 M HA 0.373 4.839 4.480 -0.024 0.000 0.285 270 M C -0.003 176.332 176.300 0.058 0.000 1.059 270 M CA -0.934 54.482 55.300 0.192 0.000 0.940 270 M CB 1.981 34.717 32.600 0.227 0.000 1.636 270 M HN 0.557 nan 8.290 nan 0.000 0.460 271 E N 2.335 122.542 120.200 0.012 0.000 2.528 271 E HA 0.049 4.384 4.350 -0.024 0.000 0.237 271 E C -1.093 175.408 176.600 -0.164 0.000 1.408 271 E CA 0.029 56.420 56.400 -0.015 0.000 1.571 271 E CB -1.155 28.507 29.700 -0.063 0.000 1.395 271 E HN 0.806 nan 8.360 nan 0.000 0.438 272 N N 3.575 122.132 118.700 -0.238 0.000 2.447 272 N HA 0.054 4.780 4.740 -0.024 0.000 0.263 272 N C -2.371 172.955 175.510 -0.306 0.000 1.226 272 N CA -0.981 51.868 53.050 -0.335 0.000 0.906 272 N CB 0.427 38.593 38.487 -0.534 0.000 1.060 272 N HN 0.210 nan 8.380 nan 0.000 0.468 273 P HA -0.075 nan 4.420 nan 0.000 0.264 273 P C 0.151 177.312 177.300 -0.232 0.000 1.193 273 P CA -0.004 62.779 63.100 -0.529 0.000 0.763 273 P CB 0.502 31.778 31.700 -0.706 0.000 0.810 274 C N 0.893 120.120 119.300 -0.122 0.000 5.688 274 C HA -0.205 4.241 4.460 -0.024 0.000 0.291 274 C C 0.522 175.478 174.990 -0.056 0.000 2.111 274 C CA 0.628 59.664 59.018 0.031 0.000 1.870 274 C CB -2.415 25.370 27.740 0.075 0.000 2.828 274 C HN 0.641 nan 8.230 nan 0.000 0.449 275 L N 1.299 122.446 121.223 -0.126 0.000 2.492 275 L HA 0.458 4.784 4.340 -0.024 0.000 0.259 275 L C 0.104 176.938 176.870 -0.060 0.000 1.229 275 L CA 0.419 55.201 54.840 -0.096 0.000 0.903 275 L CB 0.696 42.749 42.059 -0.009 0.000 1.114 275 L HN 0.194 nan 8.230 nan 0.000 0.494 276 T N 3.471 117.902 114.554 -0.205 0.000 2.902 276 T HA 0.263 4.598 4.350 -0.024 0.000 0.301 276 T C -0.224 174.548 174.700 0.120 0.000 1.012 276 T CA 0.692 62.754 62.100 -0.062 0.000 1.151 276 T CB -0.077 68.739 68.868 -0.087 0.000 0.946 276 T HN 0.124 nan 8.240 nan 0.000 0.542 277 F N 3.523 123.350 119.950 -0.205 0.000 2.408 277 F HA 0.538 5.107 4.527 0.069 0.000 0.344 277 F C 0.480 176.072 175.800 -0.347 0.000 1.112 277 F CA -1.524 56.246 58.000 -0.384 0.000 1.096 277 F CB 0.985 39.647 39.000 -0.564 0.000 1.129 277 F HN 0.278 nan 8.300 nan 0.000 0.486 278 V N -0.317 119.441 119.914 -0.260 0.000 2.962 278 V HA 0.632 4.738 4.120 -0.024 0.000 0.313 278 V C -0.189 175.842 176.094 -0.105 0.000 1.099 278 V CA -0.890 61.341 62.300 -0.114 0.000 0.971 278 V CB 1.344 33.082 31.823 -0.141 0.000 1.028 278 V HN 0.725 nan 8.190 nan 0.000 0.430 279 T N 3.581 118.218 114.554 0.139 0.000 2.930 279 T HA 0.340 4.676 4.350 -0.024 0.000 0.306 279 T C -1.065 173.714 174.700 0.132 0.000 1.045 279 T CA -0.574 61.629 62.100 0.171 0.000 1.134 279 T CB 1.107 70.089 68.868 0.190 0.000 0.961 279 T HN 0.858 nan 8.240 nan 0.000 0.545 280 P HA -0.006 nan 4.420 nan 0.000 0.237 280 P C 1.255 178.639 177.300 0.140 0.000 1.178 280 P CA 0.716 63.886 63.100 0.116 0.000 0.766 280 P CB -0.368 31.366 31.700 0.058 0.000 0.876 281 T N -3.153 111.496 114.554 0.160 0.000 3.098 281 T HA 0.000 4.336 4.350 -0.024 0.000 0.266 281 T C 1.725 176.551 174.700 0.209 0.000 1.145 281 T CA 0.363 62.580 62.100 0.194 0.000 1.092 281 T CB -1.090 67.960 68.868 0.303 0.000 0.908 281 T HN 0.070 nan 8.240 nan 0.000 0.526 282 L N -0.028 121.334 121.223 0.232 0.000 2.376 282 L HA 0.233 4.558 4.340 -0.024 0.000 0.219 282 L C 1.128 178.121 176.870 0.205 0.000 1.133 282 L CA 0.506 55.514 54.840 0.279 0.000 0.816 282 L CB -0.435 41.891 42.059 0.446 0.000 0.933 282 L HN 0.331 nan 8.230 nan 0.000 0.449 283 L N 0.812 122.116 121.223 0.136 0.000 2.391 283 L HA 0.110 4.435 4.340 -0.024 0.000 0.249 283 L C 1.573 178.461 176.870 0.031 0.000 1.308 283 L CA -0.443 54.415 54.840 0.029 0.000 1.209 283 L CB 0.119 42.187 42.059 0.015 0.000 1.401 283 L HN 0.086 nan 8.230 nan 0.000 0.416 284 A N 1.048 123.891 122.820 0.038 0.000 2.067 284 A HA 0.253 4.558 4.320 -0.024 0.000 0.217 284 A C 1.887 179.484 177.584 0.022 0.000 1.156 284 A CA 0.928 52.983 52.037 0.029 0.000 0.683 284 A CB -0.083 18.934 19.000 0.028 0.000 0.808 284 A HN 0.792 nan 8.150 nan 0.000 0.455 285 G N -0.156 108.666 108.800 0.037 0.000 2.194 285 G HA2 -0.274 3.671 3.960 -0.024 0.000 0.236 285 G HA3 -0.274 3.671 3.960 -0.024 0.000 0.236 285 G C 0.262 175.247 174.900 0.143 0.000 0.987 285 G CA 0.973 46.108 45.100 0.057 0.000 0.635 285 G HN 0.943 nan 8.290 nan 0.000 0.520 286 D N -0.605 119.866 120.400 0.118 0.000 2.538 286 D HA 0.226 4.852 4.640 -0.024 0.000 0.241 286 D C 1.004 177.344 176.300 0.067 0.000 1.297 286 D CA 0.436 54.513 54.000 0.128 0.000 0.804 286 D CB -0.412 40.415 40.800 0.045 0.000 1.122 286 D HN 0.487 nan 8.370 nan 0.000 0.519 287 K N -0.231 120.193 120.400 0.039 0.000 3.500 287 K HA -0.223 4.083 4.320 -0.024 0.000 0.313 287 K C 1.180 177.833 176.600 0.087 0.000 1.338 287 K CA 1.072 57.377 56.287 0.030 0.000 0.963 287 K CB -2.301 30.184 32.500 -0.025 0.000 1.267 287 K HN 0.320 nan 8.250 nan 0.000 0.448 288 S N 0.465 116.187 115.700 0.037 0.000 2.474 288 S HA -0.044 4.412 4.470 -0.024 0.000 0.235 288 S C 1.347 176.007 174.600 0.100 0.000 0.997 288 S CA 0.725 58.913 58.200 -0.020 0.000 0.949 288 S CB -0.080 62.977 63.200 -0.238 0.000 0.766 288 S HN 0.411 nan 8.310 nan 0.000 0.517 289 L N 2.378 123.689 121.223 0.146 0.000 2.791 289 L HA 0.275 4.601 4.340 -0.024 0.000 0.239 289 L C 2.009 179.036 176.870 0.262 0.000 1.203 289 L CA 0.266 55.228 54.840 0.203 0.000 1.002 289 L CB -0.212 41.958 42.059 0.186 0.000 1.295 289 L HN 0.428 nan 8.230 nan 0.000 0.504 290 S N -0.371 115.502 115.700 0.289 0.000 2.507 290 S HA -0.164 4.292 4.470 -0.024 0.000 0.235 290 S C 1.746 176.514 174.600 0.281 0.000 0.988 290 S CA 0.911 59.298 58.200 0.312 0.000 0.944 290 S CB -0.488 62.900 63.200 0.312 0.000 0.762 290 S HN 0.677 nan 8.310 nan 0.000 0.526 291 N N 2.018 120.888 118.700 0.282 0.000 2.289 291 N HA -0.108 4.618 4.740 -0.024 0.000 0.184 291 N C 1.515 177.154 175.510 0.216 0.000 1.016 291 N CA 1.371 54.569 53.050 0.247 0.000 0.872 291 N CB -0.759 37.859 38.487 0.219 0.000 0.973 291 N HN 0.423 nan 8.380 nan 0.000 0.433 292 V N 1.584 121.615 119.914 0.195 0.000 2.427 292 V HA -0.163 3.942 4.120 -0.024 0.000 0.248 292 V C 2.564 178.784 176.094 0.209 0.000 1.051 292 V CA 0.949 63.355 62.300 0.177 0.000 1.048 292 V CB -0.386 31.518 31.823 0.135 0.000 0.666 292 V HN 0.219 nan 8.190 nan 0.000 0.456 293 I N 0.757 121.430 120.570 0.172 0.000 2.202 293 I HA -0.183 3.972 4.170 -0.024 0.000 0.242 293 I C 2.771 178.999 176.117 0.185 0.000 1.091 293 I CA 1.836 63.227 61.300 0.152 0.000 1.368 293 I CB -1.809 36.260 38.000 0.115 0.000 1.058 293 I HN 0.298 nan 8.210 nan 0.000 0.410 294 A N 0.323 123.255 122.820 0.186 0.000 1.892 294 A HA -0.317 3.988 4.320 -0.024 0.000 0.218 294 A C 2.333 180.023 177.584 0.176 0.000 1.188 294 A CA 2.386 54.519 52.037 0.160 0.000 0.631 294 A CB -1.255 17.849 19.000 0.172 0.000 0.822 294 A HN 0.572 nan 8.150 nan 0.000 0.447 295 H N -0.483 118.660 119.070 0.123 0.000 2.321 295 H HA -0.094 4.429 4.556 -0.056 0.000 0.300 295 H C 2.016 177.429 175.328 0.143 0.000 1.087 295 H CA 1.902 58.014 56.048 0.107 0.000 1.319 295 H CB 0.098 29.941 29.762 0.135 0.000 1.379 295 H HN 0.403 nan 8.280 nan 0.000 0.501 296 E N 0.425 120.833 120.200 0.346 0.000 2.072 296 E HA -0.123 4.213 4.350 -0.024 0.000 0.191 296 E C 2.562 179.349 176.600 0.312 0.000 0.985 296 E CA 0.947 57.576 56.400 0.382 0.000 0.801 296 E CB -0.243 29.679 29.700 0.369 0.000 0.750 296 E HN 0.603 nan 8.360 nan 0.000 0.452 297 I N 1.171 121.864 120.570 0.204 0.000 2.163 297 I HA -0.289 3.867 4.170 -0.024 0.000 0.243 297 I C 2.273 178.561 176.117 0.285 0.000 1.085 297 I CA 1.138 62.474 61.300 0.060 0.000 1.347 297 I CB -0.238 37.698 38.000 -0.107 0.000 1.044 297 I HN -0.028 nan 8.210 nan 0.000 0.408 298 S N -0.694 115.133 115.700 0.211 0.000 2.399 298 S HA -0.194 4.262 4.470 -0.024 0.000 0.231 298 S C 1.903 176.678 174.600 0.292 0.000 1.022 298 S CA 0.900 59.252 58.200 0.253 0.000 0.983 298 S CB -0.480 62.737 63.200 0.029 0.000 0.803 298 S HN 0.435 nan 8.310 nan 0.000 0.480 299 H N 1.731 120.885 119.070 0.140 0.000 2.492 299 H HA -0.000 4.584 4.556 0.046 0.000 0.296 299 H C 2.190 177.554 175.328 0.060 0.000 1.095 299 H CA 1.206 57.307 56.048 0.088 0.000 1.281 299 H CB -0.449 29.337 29.762 0.041 0.000 1.374 299 H HN 0.333 nan 8.280 nan 0.000 0.545 300 S N -0.446 115.350 115.700 0.159 0.000 2.465 300 S HA -0.152 4.303 4.470 -0.024 0.000 0.241 300 S C 1.696 176.173 174.600 -0.204 0.000 1.000 300 S CA 0.753 58.842 58.200 -0.185 0.000 0.964 300 S CB -0.031 62.964 63.200 -0.342 0.000 0.763 300 S HN 0.550 nan 8.310 nan 0.000 0.512 301 W N 1.269 122.673 121.300 0.173 0.000 3.008 301 W HA 0.146 4.791 4.660 -0.025 0.000 0.259 301 W C 0.659 177.208 176.519 0.051 0.000 1.045 301 W CA 0.382 57.786 57.345 0.098 0.000 1.814 301 W CB -1.000 28.503 29.460 0.071 0.000 1.089 301 W HN 0.167 nan 8.180 nan 0.000 0.606 302 T N -0.591 114.163 114.554 0.334 0.000 2.794 302 T HA 0.584 4.920 4.350 -0.024 0.000 0.304 302 T C 0.650 175.494 174.700 0.241 0.000 0.973 302 T CA 0.518 62.743 62.100 0.209 0.000 0.972 302 T CB 0.914 69.915 68.868 0.222 0.000 0.952 302 T HN 0.393 nan 8.240 nan 0.000 0.509 303 G N 4.386 113.284 108.800 0.164 0.000 3.131 303 G HA2 -0.254 3.692 3.960 -0.024 0.000 0.198 303 G HA3 -0.254 3.692 3.960 -0.024 0.000 0.198 303 G C 0.970 175.941 174.900 0.119 0.000 1.435 303 G CA -0.062 45.154 45.100 0.193 0.000 1.016 303 G HN 0.541 nan 8.290 nan 0.000 0.499 304 N N 0.531 119.280 118.700 0.081 0.000 2.368 304 N HA 0.297 5.022 4.740 -0.024 0.000 0.176 304 N C 2.197 177.810 175.510 0.172 0.000 1.021 304 N CA 1.041 54.103 53.050 0.020 0.000 0.888 304 N CB -0.016 38.340 38.487 -0.219 0.000 0.995 304 N HN 0.485 nan 8.380 nan 0.000 0.437 305 L N -0.138 121.146 121.223 0.102 0.000 2.185 305 L HA 0.185 4.511 4.340 -0.024 0.000 0.198 305 L C 0.039 176.816 176.870 -0.155 0.000 1.079 305 L CA 0.440 55.224 54.840 -0.094 0.000 0.780 305 L CB 0.220 42.139 42.059 -0.232 0.000 0.955 305 L HN -0.151 nan 8.230 nan 0.000 0.462 306 V N 0.585 120.420 119.914 -0.132 0.000 2.364 306 V HA 0.257 4.362 4.120 -0.024 0.000 0.272 306 V C -0.229 175.798 176.094 -0.111 0.000 1.036 306 V CA -0.293 61.895 62.300 -0.186 0.000 0.880 306 V CB 1.061 32.665 31.823 -0.365 0.000 0.991 306 V HN 0.191 nan 8.190 nan 0.000 0.460 307 T N 4.090 118.584 114.554 -0.101 0.000 2.885 307 T HA 0.364 4.699 4.350 -0.024 0.000 0.285 307 T C -0.066 174.560 174.700 -0.123 0.000 1.019 307 T CA -0.764 61.304 62.100 -0.052 0.000 1.010 307 T CB 1.234 70.098 68.868 -0.005 0.000 1.022 307 T HN 0.816 nan 8.240 nan 0.000 0.466 308 N N 1.557 120.178 118.700 -0.132 0.000 2.454 308 N HA 0.061 4.787 4.740 -0.024 0.000 0.260 308 N C 0.691 176.053 175.510 -0.246 0.000 1.218 308 N CA -0.300 52.637 53.050 -0.189 0.000 0.904 308 N CB 0.858 39.255 38.487 -0.150 0.000 1.065 308 N HN 0.622 nan 8.380 nan 0.000 0.462 309 K N 0.397 120.680 120.400 -0.195 0.000 2.103 309 K HA -0.074 4.232 4.320 -0.024 0.000 0.204 309 K C 0.198 176.686 176.600 -0.186 0.000 1.052 309 K CA 1.209 57.395 56.287 -0.167 0.000 0.945 309 K CB 0.053 32.471 32.500 -0.136 0.000 0.722 309 K HN 0.893 nan 8.250 nan 0.000 0.443 310 T N -5.009 109.464 114.554 -0.135 0.000 2.838 310 T HA 0.215 4.551 4.350 -0.024 0.000 0.292 310 T C -0.003 174.547 174.700 -0.250 0.000 1.113 310 T CA -0.926 61.056 62.100 -0.197 0.000 1.008 310 T CB 0.327 69.219 68.868 0.041 0.000 1.259 310 T HN 0.273 nan 8.240 nan 0.000 0.520 311 W N 0.120 121.442 121.300 0.036 0.000 2.800 311 W HA 0.154 4.785 4.660 -0.049 0.000 0.249 311 W C 1.288 177.810 176.519 0.004 0.000 1.294 311 W CA -0.085 57.246 57.345 -0.023 0.000 1.402 311 W CB -0.122 29.249 29.460 -0.148 0.000 1.126 311 W HN 0.698 nan 8.180 nan 0.000 0.652 312 D N -1.185 119.283 120.400 0.113 0.000 2.263 312 D HA -0.139 4.487 4.640 -0.024 0.000 0.208 312 D C 1.315 177.515 176.300 -0.166 0.000 0.971 312 D CA 1.292 55.250 54.000 -0.070 0.000 0.867 312 D CB -0.290 40.363 40.800 -0.245 0.000 0.929 312 D HN 0.328 nan 8.370 nan 0.000 0.492 313 H N -1.069 118.119 119.070 0.196 0.000 2.486 313 H HA 0.074 4.614 4.556 -0.027 0.000 0.284 313 H C 1.027 176.400 175.328 0.076 0.000 1.103 313 H CA -0.396 55.747 56.048 0.158 0.000 1.089 313 H CB -0.191 29.586 29.762 0.025 0.000 1.603 313 H HN 0.064 nan 8.280 nan 0.000 0.557 314 F N 2.303 122.325 119.950 0.120 0.000 2.236 314 F HA -0.250 4.244 4.527 -0.056 0.000 0.302 314 F C 2.344 178.174 175.800 0.051 0.000 1.073 314 F CA 1.146 59.213 58.000 0.111 0.000 1.336 314 F CB -0.226 38.908 39.000 0.223 0.000 1.040 314 F HN 0.383 nan 8.300 nan 0.000 0.507 315 W N 0.784 122.071 121.300 -0.021 0.000 2.364 315 W HA -0.214 4.434 4.660 -0.020 0.000 0.281 315 W C 1.495 177.929 176.519 -0.141 0.000 1.219 315 W CA 1.107 58.358 57.345 -0.157 0.000 1.220 315 W CB -1.475 27.938 29.460 -0.079 0.000 1.127 315 W HN 0.130 nan 8.180 nan 0.000 0.556 316 L N 1.487 122.041 121.223 -1.115 0.000 2.012 316 L HA -0.286 4.040 4.340 -0.024 0.000 0.210 316 L C 2.564 179.234 176.870 -0.334 0.000 1.073 316 L CA 2.018 56.273 54.840 -0.976 0.000 0.748 316 L CB -1.284 40.324 42.059 -0.752 0.000 0.891 316 L HN -0.020 nan 8.230 nan 0.000 0.431 317 N N -0.347 118.191 118.700 -0.271 0.000 2.043 317 N HA -0.179 4.546 4.740 -0.024 0.000 0.193 317 N C 1.869 177.302 175.510 -0.129 0.000 1.037 317 N CA 1.326 54.305 53.050 -0.118 0.000 0.851 317 N CB -0.103 38.315 38.487 -0.115 0.000 1.027 317 N HN 0.272 nan 8.380 nan 0.000 0.422 318 E N -0.486 119.481 120.200 -0.390 0.000 2.086 318 E HA 0.087 4.422 4.350 -0.024 0.000 0.190 318 E C 2.099 178.625 176.600 -0.124 0.000 0.975 318 E CA 0.762 56.898 56.400 -0.440 0.000 0.813 318 E CB -0.792 28.220 29.700 -1.147 0.000 0.768 318 E HN 0.384 nan 8.360 nan 0.000 0.457 319 G N 0.985 109.778 108.800 -0.012 0.000 2.446 319 G HA2 -0.283 3.663 3.960 -0.024 0.000 0.217 319 G HA3 -0.283 3.663 3.960 -0.024 0.000 0.217 319 G C 1.263 176.262 174.900 0.165 0.000 1.168 319 G CA 1.233 46.437 45.100 0.173 0.000 0.771 319 G HN 0.322 nan 8.290 nan 0.000 0.551 320 H N -0.221 118.901 119.070 0.086 0.000 2.423 320 H HA 0.055 4.595 4.556 -0.028 0.000 0.297 320 H C 2.894 178.345 175.328 0.204 0.000 1.075 320 H CA 1.594 57.751 56.048 0.183 0.000 1.342 320 H CB -0.109 29.723 29.762 0.116 0.000 1.395 320 H HN 0.286 nan 8.280 nan 0.000 0.530 321 T N -0.216 114.415 114.554 0.129 0.000 2.737 321 T HA -0.121 4.214 4.350 -0.024 0.000 0.265 321 T C 2.292 176.991 174.700 -0.001 0.000 1.038 321 T CA 1.272 63.293 62.100 -0.133 0.000 1.144 321 T CB -0.391 68.025 68.868 -0.753 0.000 0.866 321 T HN 0.096 nan 8.240 nan 0.000 0.434 322 V N 0.590 120.623 119.914 0.198 0.000 2.332 322 V HA -0.191 3.915 4.120 -0.024 0.000 0.248 322 V C 2.016 178.303 176.094 0.322 0.000 1.055 322 V CA 1.626 64.111 62.300 0.307 0.000 1.038 322 V CB -0.762 31.257 31.823 0.327 0.000 0.651 322 V HN 0.490 nan 8.190 nan 0.000 0.450 323 Y N 0.264 120.809 120.300 0.409 0.000 2.128 323 Y HA -0.250 4.284 4.550 -0.028 0.000 0.284 323 Y C 2.290 178.415 175.900 0.375 0.000 1.154 323 Y CA 1.794 60.193 58.100 0.498 0.000 1.149 323 Y CB -0.221 38.480 38.460 0.402 0.000 0.976 323 Y HN 0.112 nan 8.280 nan 0.000 0.505 324 L N 0.115 121.552 121.223 0.356 0.000 2.046 324 L HA -0.224 4.102 4.340 -0.024 0.000 0.208 324 L C 2.617 179.561 176.870 0.122 0.000 1.077 324 L CA 1.914 56.890 54.840 0.227 0.000 0.747 324 L CB -0.664 41.505 42.059 0.183 0.000 0.896 324 L HN 0.369 nan 8.230 nan 0.000 0.432 325 E N 0.544 120.806 120.200 0.103 0.000 2.070 325 E HA -0.293 4.042 4.350 -0.024 0.000 0.197 325 E C 2.266 178.901 176.600 0.060 0.000 1.004 325 E CA 1.569 58.028 56.400 0.099 0.000 0.805 325 E CB 0.013 29.810 29.700 0.162 0.000 0.744 325 E HN 0.414 nan 8.360 nan 0.000 0.451 326 R N -0.818 119.665 120.500 -0.028 0.000 2.115 326 R HA -0.072 4.253 4.340 -0.024 0.000 0.226 326 R C 2.577 178.802 176.300 -0.124 0.000 1.100 326 R CA 1.135 57.154 56.100 -0.134 0.000 0.980 326 R CB -0.297 29.819 30.300 -0.307 0.000 0.875 326 R HN 0.359 nan 8.270 nan 0.000 0.445 327 H N 0.690 119.717 119.070 -0.071 0.000 2.353 327 H HA -0.093 4.447 4.556 -0.026 0.000 0.300 327 H C 2.167 177.500 175.328 0.008 0.000 1.090 327 H CA 1.498 57.522 56.048 -0.040 0.000 1.327 327 H CB -0.093 29.620 29.762 -0.081 0.000 1.383 327 H HN 0.173 nan 8.280 nan 0.000 0.508 328 I N -0.165 120.481 120.570 0.127 0.000 2.142 328 I HA -0.305 3.850 4.170 -0.024 0.000 0.240 328 I C 2.725 178.896 176.117 0.089 0.000 1.078 328 I CA 1.015 62.362 61.300 0.077 0.000 1.343 328 I CB -0.319 37.718 38.000 0.062 0.000 1.046 328 I HN 0.211 nan 8.210 nan 0.000 0.405 329 C N 0.897 120.295 119.300 0.163 0.000 2.413 329 C HA -0.119 4.327 4.460 -0.024 0.000 0.277 329 C C 2.967 178.168 174.990 0.351 0.000 1.265 329 C CA 1.034 60.247 59.018 0.326 0.000 1.752 329 C CB -1.817 26.167 27.740 0.407 0.000 1.998 329 C HN 0.696 nan 8.230 nan 0.000 0.489 330 G N 0.111 109.051 108.800 0.234 0.000 2.422 330 G HA2 -0.183 3.763 3.960 -0.024 0.000 0.218 330 G HA3 -0.183 3.763 3.960 -0.024 0.000 0.218 330 G C 1.824 176.820 174.900 0.160 0.000 1.146 330 G CA 0.411 45.648 45.100 0.228 0.000 0.769 330 G HN 0.462 nan 8.290 nan 0.000 0.547 331 R N -0.140 120.418 120.500 0.097 0.000 2.092 331 R HA 0.130 4.455 4.340 -0.024 0.000 0.231 331 R C 2.609 178.859 176.300 -0.082 0.000 1.119 331 R CA 0.519 56.633 56.100 0.025 0.000 0.970 331 R CB -0.667 29.639 30.300 0.009 0.000 0.864 331 R HN 0.389 nan 8.270 nan 0.000 0.440 332 L N -0.916 120.177 121.223 -0.216 0.000 2.131 332 L HA -0.045 4.280 4.340 -0.024 0.000 0.206 332 L C 1.191 177.642 176.870 -0.698 0.000 1.087 332 L CA 1.169 55.652 54.840 -0.595 0.000 0.767 332 L CB -0.056 41.376 42.059 -1.046 0.000 0.917 332 L HN 0.062 nan 8.230 nan 0.000 0.441 333 F N -1.019 118.938 119.950 0.011 0.000 2.746 333 F HA 0.483 4.994 4.527 -0.028 0.000 0.320 333 F C 0.928 176.730 175.800 0.002 0.000 1.097 333 F CA -0.040 57.904 58.000 -0.092 0.000 1.195 333 F CB 0.411 39.163 39.000 -0.413 0.000 1.056 333 F HN -0.017 nan 8.300 nan 0.000 0.562 334 G N 0.863 109.788 108.800 0.209 0.000 2.539 334 G HA2 -0.137 3.809 3.960 -0.024 0.000 0.686 334 G HA3 -0.137 3.809 3.960 -0.024 0.000 0.686 334 G C 0.100 175.150 174.900 0.250 0.000 1.258 334 G CA -0.302 44.912 45.100 0.190 0.000 0.846 334 G HN 0.060 nan 8.290 nan 0.000 0.647 335 E N 0.256 120.579 120.200 0.205 0.000 2.110 335 E HA -0.058 4.278 4.350 -0.024 0.000 0.193 335 E C 2.311 179.074 176.600 0.272 0.000 0.988 335 E CA 2.179 58.723 56.400 0.240 0.000 0.804 335 E CB -0.127 29.689 29.700 0.193 0.000 0.745 335 E HN 0.594 nan 8.360 nan 0.000 0.458 336 K N -0.800 119.724 120.400 0.207 0.000 2.103 336 K HA -0.156 4.150 4.320 -0.024 0.000 0.207 336 K C 1.939 178.733 176.600 0.323 0.000 1.048 336 K CA 1.330 57.743 56.287 0.210 0.000 0.930 336 K CB -0.323 32.268 32.500 0.151 0.000 0.716 336 K HN 0.165 nan 8.250 nan 0.000 0.444 337 F N 1.794 121.835 119.950 0.150 0.000 2.146 337 F HA -0.087 4.425 4.527 -0.026 0.000 0.298 337 F C 2.415 178.330 175.800 0.193 0.000 1.096 337 F CA 1.170 59.252 58.000 0.137 0.000 1.275 337 F CB -0.102 38.946 39.000 0.080 0.000 1.008 337 F HN -0.141 nan 8.300 nan 0.000 0.480 338 R N -0.751 119.859 120.500 0.183 0.000 2.083 338 R HA -0.196 4.130 4.340 -0.024 0.000 0.237 338 R C 2.419 178.703 176.300 -0.026 0.000 1.137 338 R CA 1.946 58.054 56.100 0.012 0.000 0.951 338 R CB -0.672 29.668 30.300 0.065 0.000 0.851 338 R HN 0.406 nan 8.270 nan 0.000 0.434 339 H N -1.033 118.080 119.070 0.071 0.000 2.387 339 H HA -0.169 4.373 4.556 -0.023 0.000 0.299 339 H C 1.950 177.334 175.328 0.095 0.000 1.090 339 H CA 1.750 57.882 56.048 0.140 0.000 1.332 339 H CB -0.207 29.700 29.762 0.241 0.000 1.386 339 H HN 0.250 nan 8.280 nan 0.000 0.516 340 F N 2.241 122.216 119.950 0.041 0.000 2.069 340 F HA -0.244 4.267 4.527 -0.026 0.000 0.298 340 F C 1.968 177.643 175.800 -0.209 0.000 1.113 340 F CA 1.896 59.855 58.000 -0.068 0.000 1.214 340 F CB -0.424 38.532 39.000 -0.073 0.000 0.978 340 F HN 0.044 nan 8.300 nan 0.000 0.474 341 N N 0.173 118.699 118.700 -0.290 0.000 2.166 341 N HA -0.154 4.572 4.740 -0.024 0.000 0.186 341 N C 1.961 177.207 175.510 -0.441 0.000 1.019 341 N CA 1.152 53.947 53.050 -0.424 0.000 0.856 341 N CB -0.392 37.818 38.487 -0.462 0.000 0.993 341 N HN 0.427 nan 8.380 nan 0.000 0.426 342 A N 0.803 123.380 122.820 -0.404 0.000 1.877 342 A HA -0.089 4.216 4.320 -0.024 0.000 0.216 342 A C 2.094 179.550 177.584 -0.213 0.000 1.186 342 A CA 0.997 52.806 52.037 -0.379 0.000 0.620 342 A CB -0.696 18.065 19.000 -0.399 0.000 0.822 342 A HN 0.253 nan 8.150 nan 0.000 0.443 343 L N 0.126 121.156 121.223 -0.322 0.000 2.141 343 L HA 0.030 4.356 4.340 -0.024 0.000 0.209 343 L C 2.359 178.995 176.870 -0.391 0.000 1.094 343 L CA 2.063 56.539 54.840 -0.606 0.000 0.763 343 L CB -0.983 40.803 42.059 -0.454 0.000 0.908 343 L HN 0.305 nan 8.230 nan 0.000 0.437 344 G N -0.985 107.553 108.800 -0.437 0.000 2.418 344 G HA2 -0.228 3.718 3.960 -0.024 0.000 0.217 344 G HA3 -0.228 3.718 3.960 -0.024 0.000 0.217 344 G C 1.525 176.290 174.900 -0.225 0.000 1.158 344 G CA 0.565 45.440 45.100 -0.374 0.000 0.771 344 G HN 0.568 nan 8.290 nan 0.000 0.545 345 G N -0.225 108.443 108.800 -0.220 0.000 2.422 345 G HA2 -0.236 3.710 3.960 -0.024 0.000 0.218 345 G HA3 -0.236 3.710 3.960 -0.024 0.000 0.218 345 G C 1.580 176.478 174.900 -0.004 0.000 1.146 345 G CA 0.828 45.850 45.100 -0.131 0.000 0.769 345 G HN 0.437 nan 8.290 nan 0.000 0.547 346 W N 1.924 123.134 121.300 -0.150 0.000 2.358 346 W HA -0.078 4.568 4.660 -0.024 0.000 0.303 346 W C 2.243 178.698 176.519 -0.107 0.000 1.208 346 W CA 1.508 58.798 57.345 -0.093 0.000 1.274 346 W CB -0.487 28.841 29.460 -0.220 0.000 1.138 346 W HN 0.226 nan 8.180 nan 0.000 0.515 347 G N 0.612 109.401 108.800 -0.019 0.000 2.442 347 G HA2 -0.298 3.647 3.960 -0.024 0.000 0.219 347 G HA3 -0.298 3.647 3.960 -0.024 0.000 0.219 347 G C 1.372 176.189 174.900 -0.138 0.000 1.141 347 G CA 0.982 46.032 45.100 -0.083 0.000 0.763 347 G HN 0.188 nan 8.290 nan 0.000 0.554 348 E N 0.032 120.156 120.200 -0.127 0.000 2.077 348 E HA -0.092 4.244 4.350 -0.024 0.000 0.193 348 E C 2.493 179.010 176.600 -0.138 0.000 0.989 348 E CA 0.573 56.906 56.400 -0.113 0.000 0.800 348 E CB -0.465 29.178 29.700 -0.095 0.000 0.746 348 E HN 0.386 nan 8.360 nan 0.000 0.452 349 L N 1.562 122.667 121.223 -0.196 0.000 2.083 349 L HA -0.198 4.128 4.340 -0.024 0.000 0.209 349 L C 2.180 178.869 176.870 -0.301 0.000 1.083 349 L CA 1.723 56.413 54.840 -0.250 0.000 0.752 349 L CB -0.498 41.335 42.059 -0.376 0.000 0.899 349 L HN 0.077 nan 8.230 nan 0.000 0.433 350 Q N -0.652 118.919 119.800 -0.382 0.000 2.061 350 Q HA -0.235 4.091 4.340 -0.024 0.000 0.204 350 Q C 1.972 177.877 176.000 -0.158 0.000 0.984 350 Q CA 1.863 57.498 55.803 -0.279 0.000 0.846 350 Q CB -0.267 28.338 28.738 -0.222 0.000 0.902 350 Q HN 0.579 nan 8.270 nan 0.000 0.421 351 N N 0.085 118.704 118.700 -0.135 0.000 2.043 351 N HA -0.128 4.598 4.740 -0.024 0.000 0.193 351 N C 1.867 177.318 175.510 -0.099 0.000 1.037 351 N CA 1.488 54.476 53.050 -0.104 0.000 0.851 351 N CB -0.553 37.878 38.487 -0.092 0.000 1.027 351 N HN 0.046 nan 8.380 nan 0.000 0.422 352 S N 0.219 115.872 115.700 -0.079 0.000 2.356 352 S HA -0.053 4.403 4.470 -0.024 0.000 0.223 352 S C 2.216 176.868 174.600 0.087 0.000 1.032 352 S CA 0.838 59.028 58.200 -0.016 0.000 1.005 352 S CB -0.254 62.996 63.200 0.084 0.000 0.867 352 S HN 0.101 nan 8.310 nan 0.000 0.449 353 V N 1.817 121.751 119.914 0.033 0.000 2.307 353 V HA -0.153 3.953 4.120 -0.024 0.000 0.245 353 V C 2.407 178.517 176.094 0.027 0.000 1.045 353 V CA 1.608 63.935 62.300 0.046 0.000 1.024 353 V CB -0.515 31.276 31.823 -0.054 0.000 0.651 353 V HN 0.406 nan 8.190 nan 0.000 0.449 354 K N -0.154 120.227 120.400 -0.032 0.000 2.032 354 K HA -0.201 4.104 4.320 -0.024 0.000 0.209 354 K C 2.227 178.803 176.600 -0.041 0.000 1.048 354 K CA 2.085 58.350 56.287 -0.037 0.000 0.927 354 K CB -0.306 32.160 32.500 -0.056 0.000 0.712 354 K HN 0.511 nan 8.250 nan 0.000 0.441 355 T N 0.555 115.054 114.554 -0.091 0.000 2.708 355 T HA -0.108 4.227 4.350 -0.024 0.000 0.266 355 T C 1.579 176.177 174.700 -0.170 0.000 1.037 355 T CA 1.378 63.376 62.100 -0.170 0.000 1.146 355 T CB -0.282 68.416 68.868 -0.282 0.000 0.865 355 T HN 0.120 nan 8.240 nan 0.000 0.435 356 F N 1.382 121.277 119.950 -0.092 0.000 2.206 356 F HA 0.306 4.816 4.527 -0.028 0.000 0.298 356 F C 1.776 177.565 175.800 -0.018 0.000 1.090 356 F CA 0.827 58.737 58.000 -0.150 0.000 1.323 356 F CB -0.561 38.288 39.000 -0.253 0.000 1.028 356 F HN 0.382 nan 8.300 nan 0.000 0.492 357 G N 0.242 109.154 108.800 0.187 0.000 2.906 357 G HA2 -0.120 3.825 3.960 -0.024 0.000 0.686 357 G HA3 -0.120 3.825 3.960 -0.024 0.000 0.686 357 G C 0.342 175.314 174.900 0.120 0.000 1.170 357 G CA -0.213 44.965 45.100 0.131 0.000 0.775 357 G HN 0.404 nan 8.290 nan 0.000 0.630 358 E N -0.234 119.998 120.200 0.054 0.000 2.516 358 E HA -0.008 4.328 4.350 -0.024 0.000 0.199 358 E C 1.653 178.262 176.600 0.015 0.000 1.069 358 E CA 1.358 57.771 56.400 0.022 0.000 0.876 358 E CB 0.004 29.699 29.700 -0.008 0.000 0.843 358 E HN 0.867 nan 8.360 nan 0.000 0.530 359 T N -2.775 111.795 114.554 0.026 0.000 3.054 359 T HA -0.006 4.329 4.350 -0.024 0.000 0.255 359 T C 0.584 175.278 174.700 -0.010 0.000 1.035 359 T CA -0.537 61.562 62.100 -0.002 0.000 0.941 359 T CB -0.196 68.660 68.868 -0.020 0.000 1.026 359 T HN 0.179 nan 8.240 nan 0.000 0.533 360 H N 3.061 122.093 119.070 -0.064 0.000 2.964 360 H HA 0.153 4.695 4.556 -0.023 0.000 0.328 360 H C -1.862 173.365 175.328 -0.169 0.000 1.030 360 H CA -1.412 54.557 56.048 -0.131 0.000 1.445 360 H CB 1.682 31.383 29.762 -0.102 0.000 1.449 360 H HN 0.028 nan 8.280 nan 0.000 0.581 361 P HA -0.135 nan 4.420 nan 0.000 0.219 361 P C 0.872 178.304 177.300 0.220 0.000 1.146 361 P CA 0.988 64.076 63.100 -0.020 0.000 0.808 361 P CB 0.052 31.664 31.700 -0.147 0.000 0.779 362 F N -0.814 119.182 119.950 0.078 0.000 2.811 362 F HA 0.059 4.576 4.527 -0.017 0.000 0.301 362 F C 1.833 177.356 175.800 -0.461 0.000 1.151 362 F CA 0.701 58.515 58.000 -0.309 0.000 1.412 362 F CB -1.842 36.727 39.000 -0.719 0.000 1.113 362 F HN 0.038 nan 8.300 nan 0.000 0.579 363 T N -3.216 111.264 114.554 -0.124 0.000 3.107 363 T HA 0.093 4.428 4.350 -0.024 0.000 0.249 363 T C 0.742 175.417 174.700 -0.043 0.000 1.096 363 T CA -0.191 61.849 62.100 -0.099 0.000 1.012 363 T CB -0.151 68.684 68.868 -0.054 0.000 0.977 363 T HN -0.019 nan 8.240 nan 0.000 0.527 364 K N 0.703 121.102 120.400 -0.001 0.000 2.355 364 K HA 0.288 4.593 4.320 -0.024 0.000 0.270 364 K C 0.769 177.355 176.600 -0.023 0.000 1.003 364 K CA -0.512 55.776 56.287 0.003 0.000 0.957 364 K CB 1.011 33.547 32.500 0.061 0.000 0.939 364 K HN -0.046 nan 8.250 nan 0.000 0.482 365 L N 3.062 124.227 121.223 -0.097 0.000 2.072 365 L HA -0.032 4.294 4.340 -0.024 0.000 0.205 365 L C 0.200 176.995 176.870 -0.125 0.000 1.079 365 L CA 1.469 56.189 54.840 -0.200 0.000 0.752 365 L CB 0.473 42.258 42.059 -0.458 0.000 0.906 365 L HN 0.321 nan 8.230 nan 0.000 0.436 366 V N 1.378 121.240 119.914 -0.088 0.000 2.394 366 V HA 0.407 4.513 4.120 -0.024 0.000 0.282 366 V C -0.245 175.911 176.094 0.104 0.000 1.031 366 V CA -0.574 61.767 62.300 0.068 0.000 0.881 366 V CB 1.226 33.117 31.823 0.114 0.000 0.982 366 V HN 0.067 nan 8.190 nan 0.000 0.451 367 V N 1.157 121.123 119.914 0.086 0.000 2.815 367 V HA 0.705 4.811 4.120 -0.024 0.000 0.314 367 V C -0.568 175.572 176.094 0.078 0.000 1.064 367 V CA -0.845 61.515 62.300 0.099 0.000 0.952 367 V CB 2.129 34.007 31.823 0.092 0.000 1.020 367 V HN 0.746 nan 8.190 nan 0.000 0.439 368 D N 2.229 122.690 120.400 0.102 0.000 2.396 368 D HA 0.359 4.984 4.640 -0.024 0.000 0.225 368 D C 0.447 176.808 176.300 0.102 0.000 1.121 368 D CA -0.137 53.917 54.000 0.089 0.000 0.853 368 D CB 0.994 41.846 40.800 0.086 0.000 1.043 368 D HN 0.627 nan 8.370 nan 0.000 0.500 369 L N 2.798 124.072 121.223 0.086 0.000 2.627 369 L HA 0.118 4.444 4.340 -0.024 0.000 0.232 369 L C 0.655 177.594 176.870 0.114 0.000 1.150 369 L CA 0.009 54.898 54.840 0.083 0.000 0.917 369 L CB -0.206 41.886 42.059 0.055 0.000 1.104 369 L HN 0.311 nan 8.230 nan 0.000 0.445 370 T N 0.996 115.618 114.554 0.112 0.000 2.871 370 T HA -0.059 4.277 4.350 -0.024 0.000 0.296 370 T C 0.493 175.276 174.700 0.138 0.000 0.998 370 T CA 0.145 62.314 62.100 0.115 0.000 1.162 370 T CB 0.173 69.093 68.868 0.087 0.000 0.947 370 T HN 0.324 nan 8.240 nan 0.000 0.536 371 D N 0.372 120.880 120.400 0.179 0.000 3.039 371 D HA -0.151 4.475 4.640 -0.024 0.000 0.222 371 D C -0.156 176.296 176.300 0.252 0.000 1.179 371 D CA 0.790 54.927 54.000 0.229 0.000 0.880 371 D CB -0.811 40.074 40.800 0.141 0.000 1.115 371 D HN 0.426 nan 8.370 nan 0.000 0.416 372 I N 0.931 121.616 120.570 0.192 0.000 2.378 372 I HA 0.165 4.320 4.170 -0.024 0.000 0.291 372 I C 0.639 176.587 176.117 -0.282 0.000 0.992 372 I CA -0.796 60.527 61.300 0.039 0.000 1.154 372 I CB 1.623 39.679 38.000 0.093 0.000 1.315 372 I HN -0.233 nan 8.210 nan 0.000 0.448 373 D N 9.179 129.143 120.400 -0.727 0.000 2.412 373 D HA 0.069 4.694 4.640 -0.024 0.000 0.257 373 D C -1.627 174.371 176.300 -0.504 0.000 1.217 373 D CA -1.492 51.868 54.000 -1.065 0.000 0.897 373 D CB 1.515 41.761 40.800 -0.924 0.000 1.132 373 D HN 0.219 nan 8.370 nan 0.000 0.493 374 P HA -0.118 nan 4.420 nan 0.000 0.218 374 P C 0.696 177.798 177.300 -0.329 0.000 1.146 374 P CA 0.775 63.634 63.100 -0.402 0.000 0.813 374 P CB 0.326 31.703 31.700 -0.539 0.000 0.778 375 D N -1.138 119.098 120.400 -0.275 0.000 2.178 375 D HA -0.088 4.538 4.640 -0.024 0.000 0.201 375 D C 1.854 178.115 176.300 -0.066 0.000 0.980 375 D CA 0.941 54.862 54.000 -0.132 0.000 0.842 375 D CB -0.435 40.331 40.800 -0.057 0.000 0.948 375 D HN 0.054 nan 8.370 nan 0.000 0.472 376 V N 0.838 120.684 119.914 -0.114 0.000 2.591 376 V HA -0.050 4.056 4.120 -0.024 0.000 0.249 376 V C 2.343 178.409 176.094 -0.047 0.000 1.053 376 V CA 1.386 63.676 62.300 -0.016 0.000 1.068 376 V CB -0.380 31.455 31.823 0.019 0.000 0.689 376 V HN 0.150 nan 8.190 nan 0.000 0.462 377 A N -1.288 121.328 122.820 -0.340 0.000 2.072 377 A HA -0.008 4.297 4.320 -0.024 0.000 0.216 377 A C 1.131 178.517 177.584 -0.331 0.000 1.156 377 A CA 0.051 51.589 52.037 -0.831 0.000 0.701 377 A CB -0.456 17.926 19.000 -1.029 0.000 0.816 377 A HN 0.528 nan 8.150 nan 0.000 0.458 378 Y N 2.154 122.331 120.300 -0.204 0.000 2.717 378 Y HA 0.273 4.812 4.550 -0.020 0.000 0.330 378 Y C 0.691 176.663 175.900 0.119 0.000 1.217 378 Y CA 0.626 58.707 58.100 -0.031 0.000 1.506 378 Y CB 0.316 38.769 38.460 -0.012 0.000 1.268 378 Y HN 0.393 nan 8.280 nan 0.000 0.561 379 S N 1.289 116.714 115.700 -0.458 0.000 2.683 379 S HA 0.238 4.693 4.470 -0.024 0.000 0.269 379 S C 0.266 174.711 174.600 -0.258 0.000 1.165 379 S CA -0.365 57.696 58.200 -0.232 0.000 0.840 379 S CB 0.534 63.876 63.200 0.237 0.000 1.169 379 S HN 0.856 nan 8.310 nan 0.000 0.490 380 S N 0.022 115.659 115.700 -0.105 0.000 2.561 380 S HA 0.057 4.513 4.470 -0.024 0.000 0.225 380 S C 1.645 176.332 174.600 0.144 0.000 0.977 380 S CA 0.739 58.907 58.200 -0.054 0.000 0.926 380 S CB -0.662 62.461 63.200 -0.128 0.000 0.769 380 S HN 0.711 nan 8.310 nan 0.000 0.533 381 V N 3.591 123.582 119.914 0.128 0.000 2.255 381 V HA -0.095 4.010 4.120 -0.024 0.000 0.247 381 V C -0.089 176.089 176.094 0.141 0.000 1.051 381 V CA 2.124 64.488 62.300 0.106 0.000 1.018 381 V CB -1.564 30.290 31.823 0.050 0.000 0.641 381 V HN 0.445 nan 8.190 nan 0.000 0.445 382 P HA -0.154 nan 4.420 nan 0.000 0.220 382 P C 1.217 178.588 177.300 0.118 0.000 1.148 382 P CA 1.598 64.790 63.100 0.153 0.000 0.803 382 P CB -0.096 31.691 31.700 0.145 0.000 0.782 383 Y N 0.923 121.270 120.300 0.078 0.000 2.109 383 Y HA -0.127 4.395 4.550 -0.047 0.000 0.285 383 Y C 2.699 178.702 175.900 0.171 0.000 1.131 383 Y CA 1.445 59.611 58.100 0.109 0.000 1.121 383 Y CB -0.920 37.571 38.460 0.052 0.000 0.987 383 Y HN -0.068 nan 8.280 nan 0.000 0.495 384 E N -0.134 120.250 120.200 0.308 0.000 2.140 384 E HA -0.076 4.260 4.350 -0.024 0.000 0.191 384 E C 2.009 178.779 176.600 0.283 0.000 0.973 384 E CA 0.478 57.037 56.400 0.265 0.000 0.829 384 E CB -0.180 29.593 29.700 0.121 0.000 0.781 384 E HN 0.371 nan 8.360 nan 0.000 0.466 385 K N 0.622 121.131 120.400 0.183 0.000 2.097 385 K HA -0.069 4.237 4.320 -0.024 0.000 0.205 385 K C 2.068 178.778 176.600 0.184 0.000 1.050 385 K CA 1.181 57.569 56.287 0.168 0.000 0.938 385 K CB -0.193 32.339 32.500 0.052 0.000 0.718 385 K HN 0.117 nan 8.250 nan 0.000 0.442 386 G N 0.719 109.629 108.800 0.183 0.000 2.433 386 G HA2 -0.289 3.656 3.960 -0.024 0.000 0.216 386 G HA3 -0.289 3.656 3.960 -0.024 0.000 0.216 386 G C 1.312 176.352 174.900 0.233 0.000 1.186 386 G CA 0.675 45.915 45.100 0.233 0.000 0.779 386 G HN 0.388 nan 8.290 nan 0.000 0.543 387 F N 2.530 122.596 119.950 0.193 0.000 2.126 387 F HA -0.008 4.504 4.527 -0.025 0.000 0.299 387 F C 2.772 178.723 175.800 0.251 0.000 1.096 387 F CA 1.489 59.619 58.000 0.217 0.000 1.255 387 F CB -0.266 38.854 39.000 0.199 0.000 0.997 387 F HN 0.232 nan 8.300 nan 0.000 0.479 388 A N 0.502 123.508 122.820 0.310 0.000 1.877 388 A HA -0.178 4.128 4.320 -0.024 0.000 0.216 388 A C 2.117 179.776 177.584 0.125 0.000 1.186 388 A CA 1.708 53.983 52.037 0.397 0.000 0.620 388 A CB -1.349 18.092 19.000 0.735 0.000 0.822 388 A HN 0.504 nan 8.150 nan 0.000 0.443 389 L N -0.008 121.169 121.223 -0.076 0.000 1.990 389 L HA -0.178 4.148 4.340 -0.024 0.000 0.213 389 L C 2.310 178.908 176.870 -0.453 0.000 1.072 389 L CA 1.952 56.397 54.840 -0.659 0.000 0.755 389 L CB -0.636 41.099 42.059 -0.539 0.000 0.889 389 L HN 0.429 nan 8.230 nan 0.000 0.432 390 L N -2.047 118.971 121.223 -0.341 0.000 2.093 390 L HA -0.203 4.123 4.340 -0.024 0.000 0.208 390 L C 2.424 178.875 176.870 -0.698 0.000 1.085 390 L CA 1.175 55.716 54.840 -0.498 0.000 0.755 390 L CB -0.665 41.125 42.059 -0.448 0.000 0.904 390 L HN 0.285 nan 8.230 nan 0.000 0.435 391 F N -0.201 119.336 119.950 -0.687 0.000 2.163 391 F HA -0.230 4.284 4.527 -0.022 0.000 0.297 391 F C 2.552 178.086 175.800 -0.443 0.000 1.094 391 F CA 1.027 58.691 58.000 -0.559 0.000 1.290 391 F CB -0.452 38.108 39.000 -0.733 0.000 1.017 391 F HN 0.022 nan 8.300 nan 0.000 0.483 392 Y N 0.740 120.751 120.300 -0.482 0.000 2.128 392 Y HA -0.226 4.309 4.550 -0.025 0.000 0.284 392 Y C 1.991 177.534 175.900 -0.595 0.000 1.154 392 Y CA 2.020 59.817 58.100 -0.505 0.000 1.149 392 Y CB -0.819 37.407 38.460 -0.390 0.000 0.976 392 Y HN 0.104 nan 8.280 nan 0.000 0.505 393 L N 0.397 121.079 121.223 -0.901 0.000 2.046 393 L HA -0.218 4.108 4.340 -0.024 0.000 0.208 393 L C 2.639 178.911 176.870 -0.997 0.000 1.077 393 L CA 1.937 56.184 54.840 -0.989 0.000 0.747 393 L CB -0.782 40.823 42.059 -0.757 0.000 0.896 393 L HN 0.345 nan 8.230 nan 0.000 0.432 394 E N 0.253 119.758 120.200 -1.158 0.000 2.070 394 E HA -0.306 4.029 4.350 -0.024 0.000 0.197 394 E C 2.142 178.446 176.600 -0.493 0.000 1.004 394 E CA 1.754 57.697 56.400 -0.761 0.000 0.805 394 E CB -0.024 29.408 29.700 -0.447 0.000 0.744 394 E HN 0.565 nan 8.360 nan 0.000 0.451 395 Q N -0.115 119.324 119.800 -0.601 0.000 2.083 395 Q HA -0.132 4.193 4.340 -0.024 0.000 0.198 395 Q C 2.396 178.142 176.000 -0.424 0.000 0.969 395 Q CA 0.988 56.502 55.803 -0.482 0.000 0.838 395 Q CB -0.096 28.314 28.738 -0.547 0.000 0.900 395 Q HN 0.266 nan 8.270 nan 0.000 0.436 396 L N 0.399 121.280 121.223 -0.571 0.000 2.079 396 L HA -0.152 4.173 4.340 -0.024 0.000 0.210 396 L C 1.639 178.256 176.870 -0.422 0.000 1.081 396 L CA 1.649 56.168 54.840 -0.535 0.000 0.752 396 L CB -0.024 41.558 42.059 -0.795 0.000 0.896 396 L HN 0.175 nan 8.230 nan 0.000 0.433 397 L N -1.784 119.171 121.223 -0.446 0.000 2.667 397 L HA 0.363 4.689 4.340 -0.024 0.000 0.232 397 L C 1.210 177.955 176.870 -0.209 0.000 1.138 397 L CA 0.516 55.104 54.840 -0.419 0.000 0.921 397 L CB 0.067 41.688 42.059 -0.731 0.000 1.180 397 L HN 0.410 nan 8.230 nan 0.000 0.487 398 G N -0.931 107.778 108.800 -0.152 0.000 2.227 398 G HA2 0.099 4.044 3.960 -0.024 0.000 0.168 398 G HA3 0.099 4.044 3.960 -0.024 0.000 0.168 398 G C 0.453 175.352 174.900 -0.001 0.000 1.006 398 G CA -0.329 44.740 45.100 -0.051 0.000 0.684 398 G HN 0.713 nan 8.290 nan 0.000 0.489 399 G N -0.660 108.131 108.800 -0.015 0.000 2.525 399 G HA2 0.360 4.305 3.960 -0.024 0.000 0.685 399 G HA3 0.360 4.305 3.960 -0.024 0.000 0.685 399 G C -1.057 173.944 174.900 0.169 0.000 1.290 399 G CA 0.246 45.371 45.100 0.043 0.000 0.915 399 G HN 0.544 nan 8.290 nan 0.000 0.548 400 P HA -0.079 nan 4.420 nan 0.000 0.215 400 P C 1.396 178.866 177.300 0.282 0.000 1.157 400 P CA 1.984 65.303 63.100 0.365 0.000 0.868 400 P CB 0.028 31.975 31.700 0.412 0.000 0.788 401 E N -0.338 119.978 120.200 0.193 0.000 2.058 401 E HA -0.150 4.186 4.350 -0.024 0.000 0.194 401 E C 2.256 178.966 176.600 0.182 0.000 0.997 401 E CA 0.982 57.468 56.400 0.144 0.000 0.801 401 E CB -0.542 29.223 29.700 0.108 0.000 0.746 401 E HN 0.240 nan 8.360 nan 0.000 0.450 402 I N 0.059 120.764 120.570 0.225 0.000 2.179 402 I HA -0.251 3.905 4.170 -0.024 0.000 0.242 402 I C 2.204 178.573 176.117 0.421 0.000 1.088 402 I CA 0.941 62.422 61.300 0.302 0.000 1.357 402 I CB -0.158 38.017 38.000 0.291 0.000 1.051 402 I HN 0.083 nan 8.210 nan 0.000 0.409 403 F N 1.113 121.235 119.950 0.285 0.000 2.259 403 F HA -0.099 4.412 4.527 -0.027 0.000 0.298 403 F C 2.165 178.172 175.800 0.344 0.000 1.088 403 F CA 1.277 59.482 58.000 0.341 0.000 1.358 403 F CB -0.114 39.017 39.000 0.219 0.000 1.040 403 F HN -0.103 nan 8.300 nan 0.000 0.505 404 L N -0.711 120.705 121.223 0.323 0.000 2.191 404 L HA -0.128 4.197 4.340 -0.024 0.000 0.212 404 L C 2.676 179.565 176.870 0.031 0.000 1.103 404 L CA 1.112 56.042 54.840 0.149 0.000 0.769 404 L CB -1.280 40.789 42.059 0.017 0.000 0.908 404 L HN 0.269 nan 8.230 nan 0.000 0.438 405 G N -0.187 108.654 108.800 0.068 0.000 2.402 405 G HA2 -0.327 3.618 3.960 -0.024 0.000 0.216 405 G HA3 -0.327 3.618 3.960 -0.024 0.000 0.216 405 G C 1.462 176.232 174.900 -0.216 0.000 1.162 405 G CA 0.552 45.678 45.100 0.042 0.000 0.777 405 G HN 0.345 nan 8.290 nan 0.000 0.539 406 F N 1.109 120.678 119.950 -0.635 0.000 2.095 406 F HA -0.057 4.455 4.527 -0.024 0.000 0.298 406 F C 2.216 177.697 175.800 -0.532 0.000 1.104 406 F CA 1.417 58.688 58.000 -1.216 0.000 1.232 406 F CB -0.368 37.987 39.000 -1.076 0.000 0.987 406 F HN 0.112 nan 8.300 nan 0.000 0.475 407 L N 1.191 122.120 121.223 -0.490 0.000 2.012 407 L HA -0.195 4.131 4.340 -0.024 0.000 0.210 407 L C 2.506 179.258 176.870 -0.196 0.000 1.073 407 L CA 2.223 56.885 54.840 -0.297 0.000 0.748 407 L CB -1.153 40.936 42.059 0.050 0.000 0.891 407 L HN 0.274 nan 8.230 nan 0.000 0.431 408 K N -0.960 119.340 120.400 -0.165 0.000 2.057 408 K HA -0.145 4.161 4.320 -0.024 0.000 0.207 408 K C 1.964 178.480 176.600 -0.141 0.000 1.049 408 K CA 1.267 57.480 56.287 -0.123 0.000 0.931 408 K CB -0.206 32.242 32.500 -0.087 0.000 0.714 408 K HN 0.443 nan 8.250 nan 0.000 0.440 409 A N 0.325 123.040 122.820 -0.175 0.000 1.930 409 A HA -0.184 4.122 4.320 -0.024 0.000 0.217 409 A C 2.024 179.466 177.584 -0.238 0.000 1.175 409 A CA 1.352 53.339 52.037 -0.083 0.000 0.627 409 A CB -0.820 18.247 19.000 0.112 0.000 0.815 409 A HN 0.607 nan 8.150 nan 0.000 0.443 410 Y N 0.744 120.741 120.300 -0.506 0.000 2.145 410 Y HA -0.189 4.344 4.550 -0.028 0.000 0.286 410 Y C 2.211 177.871 175.900 -0.401 0.000 1.145 410 Y CA 2.022 59.726 58.100 -0.661 0.000 1.148 410 Y CB -0.515 37.509 38.460 -0.727 0.000 0.981 410 Y HN 0.047 nan 8.280 nan 0.000 0.507 411 V N 1.037 120.731 119.914 -0.366 0.000 2.287 411 V HA -0.332 3.773 4.120 -0.024 0.000 0.248 411 V C 2.256 178.169 176.094 -0.302 0.000 1.053 411 V CA 2.402 64.516 62.300 -0.310 0.000 1.027 411 V CB -0.753 31.043 31.823 -0.046 0.000 0.646 411 V HN 0.454 nan 8.190 nan 0.000 0.447 412 E N -0.072 119.976 120.200 -0.252 0.000 2.038 412 E HA -0.301 4.035 4.350 -0.024 0.000 0.195 412 E C 2.239 178.640 176.600 -0.332 0.000 1.000 412 E CA 1.637 57.903 56.400 -0.223 0.000 0.803 412 E CB -0.232 29.379 29.700 -0.147 0.000 0.750 412 E HN 0.387 nan 8.360 nan 0.000 0.448 413 K N 0.456 120.538 120.400 -0.530 0.000 2.044 413 K HA -0.169 4.137 4.320 -0.024 0.000 0.210 413 K C 1.218 177.332 176.600 -0.811 0.000 1.049 413 K CA 1.580 57.376 56.287 -0.817 0.000 0.927 413 K CB -0.247 31.348 32.500 -1.509 0.000 0.713 413 K HN 0.071 nan 8.250 nan 0.000 0.443 414 F N 0.461 120.107 119.950 -0.506 0.000 2.653 414 F HA 0.352 4.864 4.527 -0.024 0.000 0.304 414 F C 0.338 175.916 175.800 -0.371 0.000 1.092 414 F CA -0.394 57.345 58.000 -0.435 0.000 1.279 414 F CB -0.053 38.608 39.000 -0.565 0.000 1.044 414 F HN -0.265 nan 8.300 nan 0.000 0.564 415 S N 0.183 115.725 115.700 -0.264 0.000 2.558 415 S HA -0.072 4.384 4.470 -0.024 0.000 0.293 415 S C 0.088 174.496 174.600 -0.321 0.000 1.292 415 S CA 0.313 58.249 58.200 -0.440 0.000 1.063 415 S CB -0.405 62.438 63.200 -0.594 0.000 0.831 415 S HN 0.526 nan 8.310 nan 0.000 0.499 416 Y N -1.057 119.186 120.300 -0.095 0.000 4.798 416 Y HA -0.291 4.245 4.550 -0.024 0.000 0.237 416 Y C 0.454 176.320 175.900 -0.056 0.000 1.017 416 Y CA 0.815 58.864 58.100 -0.085 0.000 2.010 416 Y CB -2.004 36.389 38.460 -0.112 0.000 1.582 416 Y HN 0.482 nan 8.280 nan 0.000 0.621 417 K N 0.031 120.444 120.400 0.022 0.000 2.306 417 K HA 0.795 5.101 4.320 -0.024 0.000 0.236 417 K C -0.293 176.284 176.600 -0.039 0.000 1.013 417 K CA -0.878 55.420 56.287 0.018 0.000 0.857 417 K CB 1.930 34.470 32.500 0.066 0.000 1.214 417 K HN -0.102 nan 8.250 nan 0.000 0.449 418 S N 1.348 117.016 115.700 -0.053 0.000 2.519 418 S HA 0.551 5.007 4.470 -0.024 0.000 0.309 418 S C -0.483 174.026 174.600 -0.151 0.000 1.100 418 S CA -0.866 57.272 58.200 -0.104 0.000 1.059 418 S CB 0.446 63.596 63.200 -0.084 0.000 1.008 418 S HN 0.569 nan 8.310 nan 0.000 0.478 419 I N -0.030 120.400 120.570 -0.234 0.000 3.042 419 I HA 0.839 4.995 4.170 -0.024 0.000 0.310 419 I C -0.081 175.845 176.117 -0.319 0.000 1.117 419 I CA -0.873 60.238 61.300 -0.315 0.000 1.003 419 I CB 2.245 39.890 38.000 -0.592 0.000 1.228 419 I HN 0.576 nan 8.210 nan 0.000 0.443 420 T N -1.253 113.089 114.554 -0.353 0.000 2.922 420 T HA 0.343 4.679 4.350 -0.024 0.000 0.281 420 T C 0.833 175.355 174.700 -0.296 0.000 1.005 420 T CA -0.176 61.565 62.100 -0.598 0.000 0.982 420 T CB 1.396 69.877 68.868 -0.645 0.000 1.158 420 T HN 0.681 nan 8.240 nan 0.000 0.566 421 T N 0.926 115.367 114.554 -0.187 0.000 2.833 421 T HA -0.089 4.246 4.350 -0.024 0.000 0.269 421 T C 1.310 176.212 174.700 0.338 0.000 1.054 421 T CA 1.521 63.808 62.100 0.311 0.000 1.135 421 T CB -0.579 68.672 68.868 0.638 0.000 0.869 421 T HN 0.631 nan 8.240 nan 0.000 0.466 422 D N 1.342 121.847 120.400 0.174 0.000 2.097 422 D HA -0.090 4.535 4.640 -0.024 0.000 0.195 422 D C 2.033 178.416 176.300 0.138 0.000 0.989 422 D CA 0.968 55.057 54.000 0.147 0.000 0.827 422 D CB -0.353 40.502 40.800 0.091 0.000 0.966 422 D HN 0.366 nan 8.370 nan 0.000 0.456 423 D N -0.353 120.094 120.400 0.079 0.000 2.097 423 D HA -0.154 4.471 4.640 -0.024 0.000 0.195 423 D C 1.978 178.400 176.300 0.203 0.000 0.989 423 D CA 0.598 54.642 54.000 0.072 0.000 0.827 423 D CB -0.503 40.182 40.800 -0.191 0.000 0.966 423 D HN 0.343 nan 8.370 nan 0.000 0.456 424 W N 2.353 123.663 121.300 0.017 0.000 2.335 424 W HA -0.177 4.472 4.660 -0.020 0.000 0.311 424 W C 2.395 179.108 176.519 0.324 0.000 1.213 424 W CA 1.649 59.120 57.345 0.210 0.000 1.274 424 W CB -0.113 29.420 29.460 0.122 0.000 1.148 424 W HN -0.157 nan 8.180 nan 0.000 0.498 425 K N 0.120 120.674 120.400 0.256 0.000 2.057 425 K HA -0.216 4.090 4.320 -0.024 0.000 0.207 425 K C 1.721 178.327 176.600 0.010 0.000 1.049 425 K CA 2.010 58.241 56.287 -0.092 0.000 0.931 425 K CB -0.436 32.041 32.500 -0.038 0.000 0.714 425 K HN 0.023 nan 8.250 nan 0.000 0.440 426 D N 0.033 120.499 120.400 0.110 0.000 2.104 426 D HA -0.195 4.431 4.640 -0.024 0.000 0.194 426 D C 1.606 178.047 176.300 0.236 0.000 0.994 426 D CA 1.071 55.163 54.000 0.153 0.000 0.830 426 D CB -0.256 40.648 40.800 0.173 0.000 0.959 426 D HN 0.198 nan 8.370 nan 0.000 0.452 427 F N 0.876 120.943 119.950 0.196 0.000 2.259 427 F HA -0.074 4.440 4.527 -0.022 0.000 0.298 427 F C 2.073 178.003 175.800 0.217 0.000 1.088 427 F CA 0.471 58.620 58.000 0.248 0.000 1.358 427 F CB -0.232 39.036 39.000 0.446 0.000 1.040 427 F HN -0.111 nan 8.300 nan 0.000 0.505 428 L N -0.367 120.865 121.223 0.015 0.000 2.012 428 L HA -0.256 4.070 4.340 -0.024 0.000 0.210 428 L C 2.050 178.819 176.870 -0.168 0.000 1.073 428 L CA 2.004 56.678 54.840 -0.277 0.000 0.748 428 L CB -1.195 40.425 42.059 -0.731 0.000 0.891 428 L HN 0.189 nan 8.230 nan 0.000 0.431 429 Y N -1.146 119.072 120.300 -0.136 0.000 2.293 429 Y HA -0.210 4.325 4.550 -0.025 0.000 0.291 429 Y C 3.007 178.865 175.900 -0.070 0.000 1.137 429 Y CA 1.776 59.840 58.100 -0.060 0.000 1.202 429 Y CB -0.495 37.929 38.460 -0.059 0.000 0.990 429 Y HN 0.331 nan 8.280 nan 0.000 0.537 430 S N -1.064 114.640 115.700 0.007 0.000 2.355 430 S HA -0.256 4.199 4.470 -0.024 0.000 0.222 430 S C 1.994 176.450 174.600 -0.240 0.000 1.031 430 S CA 1.148 59.291 58.200 -0.095 0.000 0.993 430 S CB -0.686 62.464 63.200 -0.083 0.000 0.859 430 S HN 0.555 nan 8.310 nan 0.000 0.453 431 Y N 0.435 120.382 120.300 -0.588 0.000 2.224 431 Y HA 0.050 4.587 4.550 -0.021 0.000 0.289 431 Y C 0.664 176.179 175.900 -0.642 0.000 1.146 431 Y CA 1.472 59.153 58.100 -0.697 0.000 1.182 431 Y CB -0.056 37.870 38.460 -0.889 0.000 0.983 431 Y HN 0.318 nan 8.280 nan 0.000 0.524 432 F N 1.209 121.079 119.950 -0.135 0.000 2.925 432 F HA 0.215 4.726 4.527 -0.026 0.000 0.302 432 F C 1.574 177.269 175.800 -0.175 0.000 1.189 432 F CA -0.649 57.250 58.000 -0.168 0.000 1.346 432 F CB -0.294 38.587 39.000 -0.198 0.000 0.954 432 F HN 0.016 nan 8.300 nan 0.000 0.506 433 K N -1.068 119.307 120.400 -0.042 0.000 2.152 433 K HA -0.182 4.123 4.320 -0.024 0.000 0.206 433 K C 0.574 177.174 176.600 -0.001 0.000 1.048 433 K CA 1.859 58.141 56.287 -0.008 0.000 0.933 433 K CB -0.174 32.309 32.500 -0.029 0.000 0.721 433 K HN 0.063 nan 8.250 nan 0.000 0.447 434 D N 1.135 121.525 120.400 -0.017 0.000 2.378 434 D HA -0.002 4.624 4.640 -0.024 0.000 0.227 434 D C 0.353 176.657 176.300 0.007 0.000 1.012 434 D CA 0.875 54.870 54.000 -0.009 0.000 0.905 434 D CB 0.283 41.067 40.800 -0.026 0.000 0.895 434 D HN 0.343 nan 8.370 nan 0.000 0.532 435 K N -0.633 119.776 120.400 0.015 0.000 2.734 435 K HA 0.153 4.459 4.320 -0.024 0.000 0.200 435 K C 1.078 177.639 176.600 -0.065 0.000 1.120 435 K CA -0.035 56.234 56.287 -0.029 0.000 1.067 435 K CB 1.497 33.966 32.500 -0.052 0.000 0.771 435 K HN -0.167 nan 8.250 nan 0.000 0.481 436 V N 2.300 122.203 119.914 -0.018 0.000 2.469 436 V HA -0.311 3.794 4.120 -0.024 0.000 0.251 436 V C 2.059 178.188 176.094 0.057 0.000 1.064 436 V CA 2.388 64.703 62.300 0.026 0.000 1.066 436 V CB -0.406 31.505 31.823 0.146 0.000 0.667 436 V HN 0.519 nan 8.190 nan 0.000 0.461 437 D N 0.268 120.686 120.400 0.029 0.000 2.104 437 D HA -0.172 4.453 4.640 -0.024 0.000 0.194 437 D C 2.094 178.391 176.300 -0.004 0.000 0.994 437 D CA 1.611 55.626 54.000 0.025 0.000 0.830 437 D CB -0.781 40.023 40.800 0.008 0.000 0.959 437 D HN 0.381 nan 8.370 nan 0.000 0.452 438 V N 1.478 121.358 119.914 -0.057 0.000 2.261 438 V HA -0.233 3.873 4.120 -0.024 0.000 0.246 438 V C 2.922 178.943 176.094 -0.122 0.000 1.047 438 V CA 1.293 63.525 62.300 -0.113 0.000 1.015 438 V CB -0.698 31.017 31.823 -0.180 0.000 0.642 438 V HN 0.176 nan 8.190 nan 0.000 0.446 439 L N 0.199 121.341 121.223 -0.134 0.000 2.187 439 L HA -0.224 4.101 4.340 -0.024 0.000 0.213 439 L C 2.079 179.052 176.870 0.172 0.000 1.100 439 L CA 1.852 56.639 54.840 -0.089 0.000 0.765 439 L CB -0.771 41.060 42.059 -0.380 0.000 0.904 439 L HN 0.499 nan 8.230 nan 0.000 0.437 440 N N -1.002 117.809 118.700 0.186 0.000 2.494 440 N HA -0.121 4.604 4.740 -0.024 0.000 0.182 440 N C 1.429 177.012 175.510 0.122 0.000 1.076 440 N CA 0.055 53.251 53.050 0.244 0.000 0.908 440 N CB 0.165 38.779 38.487 0.212 0.000 0.967 440 N HN 0.315 nan 8.380 nan 0.000 0.449 441 Q N 0.364 120.186 119.800 0.037 0.000 2.435 441 Q HA 0.078 4.404 4.340 -0.024 0.000 0.207 441 Q C 0.254 176.239 176.000 -0.025 0.000 0.956 441 Q CA 0.257 56.065 55.803 0.008 0.000 0.917 441 Q CB -0.033 28.699 28.738 -0.009 0.000 0.997 441 Q HN 0.163 nan 8.270 nan 0.000 0.497 442 V N 2.970 122.797 119.914 -0.144 0.000 2.529 442 V HA -0.036 4.070 4.120 -0.024 0.000 0.292 442 V C 0.429 176.315 176.094 -0.347 0.000 1.028 442 V CA -0.362 61.724 62.300 -0.356 0.000 1.074 442 V CB 0.689 31.885 31.823 -1.045 0.000 0.958 442 V HN 0.074 nan 8.190 nan 0.000 0.481 443 D N 4.294 124.650 120.400 -0.073 0.000 2.470 443 D HA 0.076 4.702 4.640 -0.024 0.000 0.226 443 D C 0.668 177.061 176.300 0.155 0.000 1.196 443 D CA -0.074 53.951 54.000 0.041 0.000 0.979 443 D CB 0.129 40.949 40.800 0.032 0.000 1.059 443 D HN 0.585 nan 8.370 nan 0.000 0.515 444 W N 2.314 123.792 121.300 0.296 0.000 2.388 444 W HA -0.144 4.500 4.660 -0.026 0.000 0.294 444 W C 2.233 178.912 176.519 0.266 0.000 1.212 444 W CA 0.298 57.818 57.345 0.293 0.000 1.271 444 W CB -0.220 29.406 29.460 0.276 0.000 1.126 444 W HN 0.354 nan 8.180 nan 0.000 0.535 445 N N 0.681 119.670 118.700 0.482 0.000 2.084 445 N HA -0.189 4.537 4.740 -0.024 0.000 0.190 445 N C 1.722 177.404 175.510 0.287 0.000 1.030 445 N CA 2.396 55.707 53.050 0.435 0.000 0.849 445 N CB -0.598 38.063 38.487 0.289 0.000 1.012 445 N HN 0.039 nan 8.380 nan 0.000 0.423 446 A N -0.611 122.300 122.820 0.151 0.000 1.873 446 A HA -0.073 4.233 4.320 -0.024 0.000 0.215 446 A C 2.124 179.669 177.584 -0.064 0.000 1.186 446 A CA 1.247 53.278 52.037 -0.010 0.000 0.616 446 A CB -1.328 17.590 19.000 -0.136 0.000 0.823 446 A HN 0.562 nan 8.150 nan 0.000 0.442 447 W N 0.032 121.300 121.300 -0.055 0.000 2.333 447 W HA -0.117 4.528 4.660 -0.026 0.000 0.316 447 W C 2.161 178.556 176.519 -0.208 0.000 1.215 447 W CA 1.479 58.749 57.345 -0.125 0.000 1.278 447 W CB -0.316 29.074 29.460 -0.118 0.000 1.154 447 W HN 0.220 nan 8.180 nan 0.000 0.486 448 L N -2.354 118.871 121.223 0.003 0.000 2.162 448 L HA -0.087 4.238 4.340 -0.024 0.000 0.205 448 L C 1.287 177.826 176.870 -0.552 0.000 1.086 448 L CA 0.946 55.506 54.840 -0.468 0.000 0.778 448 L CB -0.505 41.058 42.059 -0.827 0.000 0.928 448 L HN 0.042 nan 8.230 nan 0.000 0.446 449 Y N -1.723 118.632 120.300 0.091 0.000 2.471 449 Y HA 0.272 4.808 4.550 -0.023 0.000 0.249 449 Y C 0.975 176.893 175.900 0.029 0.000 1.116 449 Y CA -0.598 57.541 58.100 0.064 0.000 1.240 449 Y CB 0.349 38.863 38.460 0.089 0.000 1.251 449 Y HN -0.133 nan 8.280 nan 0.000 0.527 450 S N 3.461 119.225 115.700 0.107 0.000 2.541 450 S HA 0.379 4.834 4.470 -0.024 0.000 0.283 450 S C -2.426 172.167 174.600 -0.012 0.000 1.196 450 S CA -1.319 56.905 58.200 0.041 0.000 1.062 450 S CB 1.291 64.493 63.200 0.003 0.000 1.009 450 S HN -0.045 nan 8.310 nan 0.000 0.502 451 P HA 0.440 nan 4.420 nan 0.000 0.275 451 P C 0.506 177.772 177.300 -0.056 0.000 1.266 451 P CA 0.180 63.266 63.100 -0.024 0.000 0.793 451 P CB 0.110 31.805 31.700 -0.008 0.000 1.074 452 G N -0.949 107.818 108.800 -0.055 0.000 2.698 452 G HA2 -0.174 3.772 3.960 -0.024 0.000 0.225 452 G HA3 -0.174 3.772 3.960 -0.024 0.000 0.225 452 G C -0.739 174.080 174.900 -0.135 0.000 1.345 452 G CA -0.636 44.418 45.100 -0.076 0.000 0.871 452 G HN 0.574 nan 8.290 nan 0.000 0.540 453 L N 1.627 122.758 121.223 -0.153 0.000 2.461 453 L HA 0.279 4.605 4.340 -0.024 0.000 0.272 453 L C -1.336 175.377 176.870 -0.261 0.000 1.197 453 L CA -1.235 53.473 54.840 -0.220 0.000 0.836 453 L CB 0.342 42.305 42.059 -0.161 0.000 1.105 453 L HN 0.409 nan 8.230 nan 0.000 0.477 454 P HA 0.025 nan 4.420 nan 0.000 0.268 454 P C -1.929 175.025 177.300 -0.577 0.000 1.208 454 P CA -0.909 61.770 63.100 -0.702 0.000 0.777 454 P CB -0.004 31.201 31.700 -0.825 0.000 0.875 455 P HA -0.014 nan 4.420 nan 0.000 0.226 455 P C 0.137 177.229 177.300 -0.347 0.000 1.153 455 P CA 1.598 64.417 63.100 -0.468 0.000 0.777 455 P CB 0.424 31.842 31.700 -0.470 0.000 0.794 456 I N -0.215 120.096 120.570 -0.432 0.000 2.582 456 I HA 0.289 4.445 4.170 -0.024 0.000 0.292 456 I C 0.148 176.181 176.117 -0.140 0.000 1.066 456 I CA -1.179 59.973 61.300 -0.246 0.000 1.053 456 I CB 2.814 40.612 38.000 -0.336 0.000 1.241 456 I HN -0.198 nan 8.210 nan 0.000 0.421 457 K N 7.060 127.359 120.400 -0.169 0.000 2.248 457 K HA 0.469 4.775 4.320 -0.024 0.000 0.281 457 K C -2.399 174.040 176.600 -0.269 0.000 1.054 457 K CA -1.311 54.719 56.287 -0.430 0.000 0.903 457 K CB 1.225 33.374 32.500 -0.585 0.000 1.077 457 K HN 0.230 nan 8.250 nan 0.000 0.474 458 P HA -0.014 nan 4.420 nan 0.000 0.271 458 P C -1.079 175.939 177.300 -0.469 0.000 1.238 458 P CA -0.222 62.688 63.100 -0.317 0.000 0.794 458 P CB 0.418 31.923 31.700 -0.326 0.000 0.959 459 N N 0.861 119.302 118.700 -0.433 0.000 2.444 459 N HA 0.196 4.921 4.740 -0.024 0.000 0.271 459 N C -0.857 174.526 175.510 -0.212 0.000 1.069 459 N CA 0.094 53.001 53.050 -0.238 0.000 0.965 459 N CB 0.104 38.510 38.487 -0.134 0.000 1.092 459 N HN 0.363 nan 8.380 nan 0.000 0.476 460 Y N -0.351 120.066 120.300 0.195 0.000 2.376 460 Y HA 0.165 4.699 4.550 -0.026 0.000 0.340 460 Y C 0.410 176.491 175.900 0.302 0.000 0.965 460 Y CA -1.174 57.142 58.100 0.360 0.000 1.078 460 Y CB 1.306 39.883 38.460 0.196 0.000 1.193 460 Y HN 0.419 nan 8.280 nan 0.000 0.452 461 D N 2.391 123.118 120.400 0.545 0.000 2.455 461 D HA 0.045 4.670 4.640 -0.024 0.000 0.241 461 D C 0.498 176.947 176.300 0.249 0.000 1.138 461 D CA 0.413 54.530 54.000 0.194 0.000 0.877 461 D CB 0.812 41.549 40.800 -0.104 0.000 1.187 461 D HN 0.434 nan 8.370 nan 0.000 0.451 462 M N 2.092 121.794 119.600 0.169 0.000 2.337 462 M HA 0.008 4.474 4.480 -0.024 0.000 0.256 462 M C 1.735 178.132 176.300 0.161 0.000 1.075 462 M CA 0.200 55.598 55.300 0.163 0.000 1.024 462 M CB -0.595 32.080 32.600 0.125 0.000 1.429 462 M HN 0.417 nan 8.290 nan 0.000 0.497 463 T N 2.110 116.747 114.554 0.139 0.000 2.594 463 T HA -0.200 4.136 4.350 -0.024 0.000 0.266 463 T C 1.878 176.662 174.700 0.140 0.000 1.070 463 T CA 1.616 63.786 62.100 0.118 0.000 1.166 463 T CB -0.416 68.507 68.868 0.092 0.000 0.862 463 T HN 0.360 nan 8.240 nan 0.000 0.436 464 L N 0.331 121.671 121.223 0.195 0.000 2.418 464 L HA 0.026 4.352 4.340 -0.024 0.000 0.218 464 L C 2.586 179.649 176.870 0.322 0.000 1.125 464 L CA 0.824 55.772 54.840 0.179 0.000 0.835 464 L CB -0.475 41.628 42.059 0.073 0.000 0.953 464 L HN 0.305 nan 8.230 nan 0.000 0.454 465 T N -1.382 113.401 114.554 0.383 0.000 3.035 465 T HA -0.020 4.316 4.350 -0.024 0.000 0.259 465 T C 1.527 176.359 174.700 0.221 0.000 1.078 465 T CA 0.551 62.860 62.100 0.348 0.000 1.132 465 T CB -0.156 68.834 68.868 0.202 0.000 0.900 465 T HN 0.361 nan 8.240 nan 0.000 0.480 466 N N 1.794 120.598 118.700 0.174 0.000 2.061 466 N HA -0.136 4.590 4.740 -0.024 0.000 0.193 466 N C 2.132 177.725 175.510 0.138 0.000 1.030 466 N CA 1.210 54.341 53.050 0.135 0.000 0.856 466 N CB -0.178 38.374 38.487 0.108 0.000 1.023 466 N HN 0.356 nan 8.380 nan 0.000 0.424 467 A N 0.329 123.231 122.820 0.135 0.000 1.969 467 A HA -0.110 4.195 4.320 -0.024 0.000 0.218 467 A C 2.360 180.040 177.584 0.159 0.000 1.169 467 A CA 0.911 53.021 52.037 0.120 0.000 0.635 467 A CB -0.730 18.320 19.000 0.083 0.000 0.810 467 A HN 0.477 nan 8.150 nan 0.000 0.445 468 C N -0.658 118.768 119.300 0.211 0.000 2.453 468 C HA -0.020 4.425 4.460 -0.024 0.000 0.277 468 C C 2.517 177.694 174.990 0.312 0.000 1.262 468 C CA 0.804 59.997 59.018 0.290 0.000 1.718 468 C CB -1.307 26.619 27.740 0.310 0.000 2.031 468 C HN 0.631 nan 8.230 nan 0.000 0.480 469 I N 1.742 122.446 120.570 0.225 0.000 2.226 469 I HA -0.215 3.941 4.170 -0.024 0.000 0.245 469 I C 2.832 179.075 176.117 0.211 0.000 1.100 469 I CA 1.588 63.003 61.300 0.192 0.000 1.374 469 I CB -0.706 37.377 38.000 0.138 0.000 1.057 469 I HN 0.286 nan 8.210 nan 0.000 0.413 470 A N 0.891 123.824 122.820 0.189 0.000 1.873 470 A HA -0.258 4.048 4.320 -0.024 0.000 0.218 470 A C 2.269 179.999 177.584 0.244 0.000 1.193 470 A CA 1.883 54.026 52.037 0.177 0.000 0.629 470 A CB -0.964 18.115 19.000 0.132 0.000 0.826 470 A HN 0.374 nan 8.150 nan 0.000 0.447 471 L N -0.323 121.071 121.223 0.285 0.000 2.056 471 L HA -0.074 4.252 4.340 -0.024 0.000 0.207 471 L C 2.663 179.957 176.870 0.706 0.000 1.078 471 L CA 2.402 57.475 54.840 0.388 0.000 0.749 471 L CB -0.772 41.364 42.059 0.128 0.000 0.901 471 L HN 0.391 nan 8.230 nan 0.000 0.433 472 S N -1.271 114.859 115.700 0.717 0.000 2.359 472 S HA -0.237 4.219 4.470 -0.024 0.000 0.224 472 S C 1.981 176.832 174.600 0.418 0.000 1.035 472 S CA 1.435 59.965 58.200 0.550 0.000 1.018 472 S CB -0.210 63.147 63.200 0.262 0.000 0.876 472 S HN 0.562 nan 8.310 nan 0.000 0.448 473 Q N 0.610 120.601 119.800 0.318 0.000 2.119 473 Q HA 0.009 4.334 4.340 -0.024 0.000 0.201 473 Q C 2.399 178.561 176.000 0.270 0.000 0.972 473 Q CA 1.029 56.977 55.803 0.242 0.000 0.847 473 Q CB -0.416 28.426 28.738 0.173 0.000 0.903 473 Q HN 0.560 nan 8.270 nan 0.000 0.433 474 R N -0.847 119.842 120.500 0.316 0.000 2.091 474 R HA -0.178 4.148 4.340 -0.024 0.000 0.238 474 R C 2.030 178.574 176.300 0.406 0.000 1.136 474 R CA 1.551 57.832 56.100 0.302 0.000 0.959 474 R CB -0.214 30.278 30.300 0.320 0.000 0.856 474 R HN 0.312 nan 8.270 nan 0.000 0.437 475 W N 0.399 121.932 121.300 0.387 0.000 2.409 475 W HA -0.003 4.644 4.660 -0.023 0.000 0.299 475 W C 1.968 178.657 176.519 0.283 0.000 1.203 475 W CA 0.576 58.074 57.345 0.255 0.000 1.298 475 W CB -0.193 29.338 29.460 0.119 0.000 1.127 475 W HN -0.008 nan 8.180 nan 0.000 0.528 476 I N -0.000 120.826 120.570 0.427 0.000 2.226 476 I HA -0.286 3.869 4.170 -0.024 0.000 0.245 476 I C 2.479 178.724 176.117 0.214 0.000 1.100 476 I CA 1.899 63.351 61.300 0.254 0.000 1.374 476 I CB -0.857 37.242 38.000 0.164 0.000 1.057 476 I HN 0.008 nan 8.210 nan 0.000 0.413 477 T N -1.160 113.523 114.554 0.214 0.000 3.113 477 T HA 0.299 4.634 4.350 -0.024 0.000 0.256 477 T C 0.895 175.700 174.700 0.175 0.000 1.131 477 T CA 0.063 62.258 62.100 0.158 0.000 1.074 477 T CB -0.310 68.627 68.868 0.115 0.000 0.944 477 T HN 0.209 nan 8.240 nan 0.000 0.516 478 A N 1.438 124.413 122.820 0.258 0.000 2.511 478 A HA 0.525 4.830 4.320 -0.024 0.000 0.242 478 A C 0.274 178.025 177.584 0.279 0.000 1.069 478 A CA -0.302 51.864 52.037 0.215 0.000 0.763 478 A CB 0.148 19.279 19.000 0.218 0.000 1.001 478 A HN 0.437 nan 8.150 nan 0.000 0.498 479 K N 0.285 120.760 120.400 0.125 0.000 2.267 479 K HA 0.314 4.620 4.320 -0.024 0.000 0.236 479 K C 1.246 177.879 176.600 0.054 0.000 1.030 479 K CA -0.238 56.126 56.287 0.129 0.000 0.930 479 K CB 0.588 33.127 32.500 0.065 0.000 1.182 479 K HN 0.790 nan 8.250 nan 0.000 0.474 480 E N 0.854 121.096 120.200 0.070 0.000 2.097 480 E HA -0.269 4.067 4.350 -0.024 0.000 0.196 480 E C 0.658 177.235 176.600 -0.038 0.000 1.000 480 E CA 2.002 58.411 56.400 0.014 0.000 0.804 480 E CB 0.042 29.762 29.700 0.033 0.000 0.740 480 E HN 0.649 nan 8.360 nan 0.000 0.454 481 D N -0.199 120.181 120.400 -0.034 0.000 2.378 481 D HA -0.144 4.481 4.640 -0.024 0.000 0.227 481 D C 0.754 176.995 176.300 -0.100 0.000 1.012 481 D CA 0.624 54.590 54.000 -0.057 0.000 0.905 481 D CB -0.109 40.665 40.800 -0.043 0.000 0.895 481 D HN 0.205 nan 8.370 nan 0.000 0.532 482 D N -0.044 120.282 120.400 -0.124 0.000 2.392 482 D HA 0.091 4.717 4.640 -0.024 0.000 0.206 482 D C 2.220 178.337 176.300 -0.304 0.000 1.046 482 D CA -0.082 53.786 54.000 -0.220 0.000 0.865 482 D CB 0.439 41.120 40.800 -0.198 0.000 0.969 482 D HN 0.260 nan 8.370 nan 0.000 0.509 483 L N 1.201 122.317 121.223 -0.179 0.000 2.127 483 L HA -0.142 4.183 4.340 -0.024 0.000 0.211 483 L C 2.281 179.097 176.870 -0.090 0.000 1.089 483 L CA 0.824 55.610 54.840 -0.090 0.000 0.757 483 L CB -0.479 41.522 42.059 -0.097 0.000 0.899 483 L HN 0.073 nan 8.230 nan 0.000 0.434 484 N N 0.212 118.830 118.700 -0.137 0.000 2.289 484 N HA -0.194 4.531 4.740 -0.024 0.000 0.184 484 N C 1.959 177.360 175.510 -0.182 0.000 1.016 484 N CA 1.558 54.534 53.050 -0.123 0.000 0.872 484 N CB 0.157 38.580 38.487 -0.106 0.000 0.973 484 N HN 0.391 nan 8.380 nan 0.000 0.433 485 S N -0.655 114.846 115.700 -0.332 0.000 2.474 485 S HA -0.012 4.444 4.470 -0.024 0.000 0.235 485 S C 0.585 174.907 174.600 -0.464 0.000 0.997 485 S CA 0.071 58.017 58.200 -0.422 0.000 0.949 485 S CB -0.443 62.425 63.200 -0.554 0.000 0.766 485 S HN 0.130 nan 8.310 nan 0.000 0.517 486 F N 3.267 123.059 119.950 -0.264 0.000 2.399 486 F HA 0.553 5.066 4.527 -0.023 0.000 0.342 486 F C 0.691 176.422 175.800 -0.114 0.000 1.106 486 F CA -0.615 57.251 58.000 -0.224 0.000 1.196 486 F CB 0.605 39.358 39.000 -0.410 0.000 1.163 486 F HN 0.522 nan 8.300 nan 0.000 0.547 487 N N -0.204 118.616 118.700 0.199 0.000 3.116 487 N HA 0.515 5.240 4.740 -0.024 0.000 0.244 487 N C -0.131 175.537 175.510 0.263 0.000 1.485 487 N CA -0.390 52.738 53.050 0.131 0.000 0.884 487 N CB 0.881 39.399 38.487 0.051 0.000 1.415 487 N HN 0.453 nan 8.380 nan 0.000 0.524 488 A N -0.323 122.607 122.820 0.183 0.000 2.032 488 A HA -0.178 4.127 4.320 -0.024 0.000 0.221 488 A C 2.009 179.661 177.584 0.112 0.000 1.165 488 A CA 2.511 54.663 52.037 0.191 0.000 0.645 488 A CB -1.698 17.355 19.000 0.090 0.000 0.807 488 A HN 0.903 nan 8.150 nan 0.000 0.453 489 T N -2.135 112.472 114.554 0.088 0.000 2.929 489 T HA -0.159 4.177 4.350 -0.024 0.000 0.271 489 T C 1.162 175.887 174.700 0.042 0.000 1.085 489 T CA 1.448 63.575 62.100 0.046 0.000 1.125 489 T CB -0.543 68.342 68.868 0.029 0.000 0.874 489 T HN 0.457 nan 8.240 nan 0.000 0.494 490 D N 1.801 122.262 120.400 0.101 0.000 2.182 490 D HA -0.037 4.589 4.640 -0.024 0.000 0.201 490 D C 1.775 178.025 176.300 -0.083 0.000 0.986 490 D CA 0.950 54.989 54.000 0.064 0.000 0.847 490 D CB -0.189 40.750 40.800 0.231 0.000 0.942 490 D HN 0.481 nan 8.370 nan 0.000 0.467 491 L N 0.048 121.182 121.223 -0.148 0.000 2.607 491 L HA 0.127 4.453 4.340 -0.024 0.000 0.228 491 L C 2.179 178.989 176.870 -0.099 0.000 1.123 491 L CA -0.097 54.620 54.840 -0.204 0.000 0.890 491 L CB -0.017 41.867 42.059 -0.292 0.000 1.103 491 L HN -0.156 nan 8.230 nan 0.000 0.468 492 K N 1.012 121.378 120.400 -0.057 0.000 2.097 492 K HA -0.163 4.143 4.320 -0.024 0.000 0.206 492 K C 0.445 177.025 176.600 -0.033 0.000 1.049 492 K CA 1.365 57.631 56.287 -0.035 0.000 0.933 492 K CB 0.164 32.653 32.500 -0.017 0.000 0.717 492 K HN 0.280 nan 8.250 nan 0.000 0.442 493 D N 0.569 120.949 120.400 -0.034 0.000 2.358 493 D HA 0.124 4.749 4.640 -0.024 0.000 0.224 493 D C -0.203 176.077 176.300 -0.033 0.000 1.123 493 D CA 0.098 54.082 54.000 -0.028 0.000 0.833 493 D CB 0.189 40.980 40.800 -0.016 0.000 0.946 493 D HN 0.138 nan 8.370 nan 0.000 0.505 494 L N 1.048 122.243 121.223 -0.046 0.000 2.307 494 L HA 0.278 4.604 4.340 -0.024 0.000 0.284 494 L C 0.950 177.796 176.870 -0.041 0.000 1.023 494 L CA -0.726 54.089 54.840 -0.041 0.000 0.810 494 L CB 1.662 43.688 42.059 -0.054 0.000 1.231 494 L HN -0.116 nan 8.230 nan 0.000 0.423 495 S N 0.536 116.212 115.700 -0.039 0.000 2.617 495 S HA 0.061 4.517 4.470 -0.024 0.000 0.259 495 S C 1.300 175.885 174.600 -0.026 0.000 1.301 495 S CA -0.131 58.048 58.200 -0.034 0.000 0.984 495 S CB 1.224 64.413 63.200 -0.019 0.000 0.954 495 S HN 0.746 nan 8.310 nan 0.000 0.572 496 S N 0.252 115.910 115.700 -0.071 0.000 2.399 496 S HA -0.216 4.240 4.470 -0.024 0.000 0.231 496 S C 1.477 176.025 174.600 -0.088 0.000 1.022 496 S CA 1.503 59.633 58.200 -0.116 0.000 0.983 496 S CB -1.213 61.874 63.200 -0.188 0.000 0.803 496 S HN 0.868 nan 8.310 nan 0.000 0.480 497 H N 1.578 120.666 119.070 0.031 0.000 2.353 497 H HA 0.027 4.568 4.556 -0.026 0.000 0.300 497 H C 2.546 178.007 175.328 0.222 0.000 1.090 497 H CA 1.909 58.044 56.048 0.145 0.000 1.327 497 H CB -0.313 29.541 29.762 0.153 0.000 1.383 497 H HN 0.488 nan 8.280 nan 0.000 0.508 498 Q N 0.051 119.966 119.800 0.191 0.000 2.119 498 Q HA -0.083 4.242 4.340 -0.024 0.000 0.201 498 Q C 2.235 178.364 176.000 0.215 0.000 0.972 498 Q CA 0.770 56.703 55.803 0.217 0.000 0.847 498 Q CB 0.061 28.836 28.738 0.061 0.000 0.903 498 Q HN 0.459 nan 8.270 nan 0.000 0.433 499 L N 0.652 121.942 121.223 0.111 0.000 2.017 499 L HA -0.227 4.099 4.340 -0.024 0.000 0.208 499 L C 2.219 179.149 176.870 0.100 0.000 1.073 499 L CA 1.294 56.183 54.840 0.081 0.000 0.745 499 L CB -0.531 41.506 42.059 -0.036 0.000 0.894 499 L HN 0.342 nan 8.230 nan 0.000 0.432 500 N N 0.279 119.021 118.700 0.069 0.000 2.061 500 N HA -0.278 4.447 4.740 -0.024 0.000 0.193 500 N C 1.746 177.308 175.510 0.085 0.000 1.030 500 N CA 1.806 54.889 53.050 0.055 0.000 0.856 500 N CB 0.004 38.545 38.487 0.089 0.000 1.023 500 N HN 0.201 nan 8.380 nan 0.000 0.424 501 E N -0.576 119.737 120.200 0.189 0.000 2.107 501 E HA -0.116 4.219 4.350 -0.024 0.000 0.191 501 E C 1.764 178.443 176.600 0.133 0.000 0.982 501 E CA 0.736 57.222 56.400 0.144 0.000 0.809 501 E CB -0.666 29.172 29.700 0.230 0.000 0.756 501 E HN 0.459 nan 8.360 nan 0.000 0.459 502 F N 0.847 120.838 119.950 0.068 0.000 2.091 502 F HA -0.196 4.316 4.527 -0.024 0.000 0.299 502 F C 1.736 177.539 175.800 0.005 0.000 1.103 502 F CA 1.728 59.758 58.000 0.050 0.000 1.228 502 F CB -0.469 38.561 39.000 0.049 0.000 0.984 502 F HN 0.077 nan 8.300 nan 0.000 0.477 503 L N 0.049 121.079 121.223 -0.322 0.000 2.056 503 L HA -0.165 4.160 4.340 -0.024 0.000 0.207 503 L C 2.883 179.578 176.870 -0.292 0.000 1.078 503 L CA 1.142 55.719 54.840 -0.437 0.000 0.749 503 L CB -1.252 40.646 42.059 -0.268 0.000 0.901 503 L HN 0.301 nan 8.230 nan 0.000 0.433 504 A N -0.629 122.093 122.820 -0.162 0.000 1.883 504 A HA -0.254 4.052 4.320 -0.024 0.000 0.217 504 A C 2.266 179.770 177.584 -0.134 0.000 1.186 504 A CA 1.540 53.504 52.037 -0.122 0.000 0.624 504 A CB -0.449 18.510 19.000 -0.068 0.000 0.822 504 A HN 0.403 nan 8.150 nan 0.000 0.444 505 Q N -0.655 119.070 119.800 -0.126 0.000 2.084 505 Q HA -0.122 4.204 4.340 -0.024 0.000 0.202 505 Q C 2.242 178.165 176.000 -0.129 0.000 0.978 505 Q CA 2.086 57.835 55.803 -0.091 0.000 0.844 505 Q CB -0.972 27.753 28.738 -0.021 0.000 0.898 505 Q HN 0.703 nan 8.270 nan 0.000 0.426 506 T N 1.832 116.237 114.554 -0.248 0.000 2.777 506 T HA -0.103 4.233 4.350 -0.024 0.000 0.266 506 T C 1.868 176.455 174.700 -0.188 0.000 1.040 506 T CA 0.725 62.677 62.100 -0.248 0.000 1.141 506 T CB -0.269 68.311 68.868 -0.479 0.000 0.868 506 T HN 0.083 nan 8.240 nan 0.000 0.444 507 L N 1.428 122.526 121.223 -0.208 0.000 2.127 507 L HA -0.072 4.254 4.340 -0.024 0.000 0.211 507 L C 2.376 179.161 176.870 -0.141 0.000 1.089 507 L CA 1.680 56.410 54.840 -0.183 0.000 0.757 507 L CB -0.746 41.190 42.059 -0.205 0.000 0.899 507 L HN 0.253 nan 8.230 nan 0.000 0.434 508 Q N -0.880 118.849 119.800 -0.118 0.000 2.234 508 Q HA -0.186 4.139 4.340 -0.024 0.000 0.206 508 Q C 1.392 177.348 176.000 -0.074 0.000 0.980 508 Q CA 1.337 57.088 55.803 -0.088 0.000 0.869 508 Q CB 0.041 28.738 28.738 -0.067 0.000 0.912 508 Q HN 0.378 nan 8.270 nan 0.000 0.436 509 R N -0.501 119.954 120.500 -0.074 0.000 2.427 509 R HA 0.263 4.589 4.340 -0.024 0.000 0.262 509 R C -0.383 175.872 176.300 -0.075 0.000 0.943 509 R CA -0.034 56.032 56.100 -0.058 0.000 1.081 509 R CB 0.657 30.939 30.300 -0.031 0.000 1.166 509 R HN 0.052 nan 8.270 nan 0.000 0.534 510 A N 2.185 124.946 122.820 -0.100 0.000 2.407 510 A HA 0.391 4.697 4.320 -0.024 0.000 0.248 510 A C -1.893 175.628 177.584 -0.106 0.000 1.082 510 A CA -0.996 50.971 52.037 -0.117 0.000 0.785 510 A CB -0.162 18.750 19.000 -0.147 0.000 1.020 510 A HN 0.044 nan 8.150 nan 0.000 0.489 511 P HA 0.521 nan 4.420 nan 0.000 0.279 511 P C -1.017 176.208 177.300 -0.126 0.000 1.252 511 P CA -0.434 62.586 63.100 -0.132 0.000 0.811 511 P CB 0.842 32.458 31.700 -0.139 0.000 1.035 512 L N 2.908 124.048 121.223 -0.138 0.000 2.358 512 L HA 0.518 4.843 4.340 -0.024 0.000 0.268 512 L C -2.112 174.646 176.870 -0.188 0.000 1.032 512 L CA -2.124 52.620 54.840 -0.162 0.000 0.805 512 L CB 0.087 42.081 42.059 -0.107 0.000 1.253 512 L HN 0.285 nan 8.230 nan 0.000 0.452 513 P HA -0.006 nan 4.420 nan 0.000 0.267 513 P C 0.542 177.780 177.300 -0.104 0.000 1.200 513 P CA -0.296 62.691 63.100 -0.188 0.000 0.772 513 P CB 0.486 32.044 31.700 -0.236 0.000 0.855 514 L N 3.816 124.975 121.223 -0.106 0.000 2.079 514 L HA -0.098 4.228 4.340 -0.024 0.000 0.210 514 L C 2.195 178.955 176.870 -0.183 0.000 1.081 514 L CA 2.475 57.211 54.840 -0.172 0.000 0.752 514 L CB -1.628 40.342 42.059 -0.149 0.000 0.896 514 L HN 0.551 nan 8.230 nan 0.000 0.433 515 G N -2.180 106.593 108.800 -0.045 0.000 2.442 515 G HA2 -0.315 3.630 3.960 -0.024 0.000 0.219 515 G HA3 -0.315 3.630 3.960 -0.024 0.000 0.219 515 G C 1.312 176.262 174.900 0.084 0.000 1.141 515 G CA 1.050 46.154 45.100 0.006 0.000 0.763 515 G HN 0.528 nan 8.290 nan 0.000 0.554 516 H N 0.188 119.254 119.070 -0.007 0.000 2.357 516 H HA 0.049 4.590 4.556 -0.024 0.000 0.301 516 H C 2.621 177.940 175.328 -0.015 0.000 1.082 516 H CA 0.796 56.925 56.048 0.135 0.000 1.342 516 H CB -0.065 29.811 29.762 0.189 0.000 1.389 516 H HN 0.209 nan 8.280 nan 0.000 0.511 517 I N 0.834 121.392 120.570 -0.021 0.000 2.252 517 I HA -0.186 3.969 4.170 -0.024 0.000 0.245 517 I C 1.959 177.900 176.117 -0.292 0.000 1.102 517 I CA 1.179 62.396 61.300 -0.139 0.000 1.385 517 I CB -0.804 37.067 38.000 -0.214 0.000 1.064 517 I HN 0.220 nan 8.210 nan 0.000 0.414 518 K N 0.288 120.358 120.400 -0.550 0.000 2.063 518 K HA -0.223 4.083 4.320 -0.024 0.000 0.208 518 K C 2.235 178.717 176.600 -0.195 0.000 1.048 518 K CA 1.302 57.237 56.287 -0.586 0.000 0.928 518 K CB -0.139 32.050 32.500 -0.518 0.000 0.713 518 K HN 0.025 nan 8.250 nan 0.000 0.442 519 R N 1.229 121.671 120.500 -0.098 0.000 2.081 519 R HA 0.000 4.326 4.340 -0.024 0.000 0.235 519 R C 2.044 178.295 176.300 -0.081 0.000 1.131 519 R CA 1.510 57.606 56.100 -0.006 0.000 0.960 519 R CB -0.319 30.059 30.300 0.129 0.000 0.856 519 R HN 0.142 nan 8.270 nan 0.000 0.436 520 M N -0.022 119.445 119.600 -0.222 0.000 2.082 520 M HA -0.243 4.223 4.480 -0.024 0.000 0.258 520 M C 2.236 178.253 176.300 -0.471 0.000 1.069 520 M CA 2.208 57.164 55.300 -0.573 0.000 1.102 520 M CB -0.333 31.957 32.600 -0.516 0.000 1.336 520 M HN 0.208 nan 8.290 nan 0.000 0.404 521 Q N 0.773 120.511 119.800 -0.103 0.000 2.079 521 Q HA -0.201 4.124 4.340 -0.024 0.000 0.200 521 Q C 1.635 177.600 176.000 -0.057 0.000 0.974 521 Q CA 2.051 57.864 55.803 0.018 0.000 0.840 521 Q CB -0.363 28.711 28.738 0.559 0.000 0.898 521 Q HN 0.552 nan 8.270 nan 0.000 0.430 522 E N -0.783 119.390 120.200 -0.045 0.000 2.085 522 E HA -0.172 4.164 4.350 -0.024 0.000 0.194 522 E C 1.671 178.206 176.600 -0.109 0.000 0.994 522 E CA 2.043 58.416 56.400 -0.044 0.000 0.801 522 E CB 0.054 29.736 29.700 -0.029 0.000 0.743 522 E HN 0.397 nan 8.360 nan 0.000 0.453 523 V N -2.176 117.599 119.914 -0.232 0.000 3.125 523 V HA 0.020 4.125 4.120 -0.024 0.000 0.249 523 V C 1.392 177.358 176.094 -0.213 0.000 1.113 523 V CA 0.573 62.722 62.300 -0.251 0.000 1.106 523 V CB -0.402 31.231 31.823 -0.316 0.000 0.768 523 V HN 0.180 nan 8.190 nan 0.000 0.468 524 Y N 0.514 120.583 120.300 -0.385 0.000 2.442 524 Y HA 0.394 4.930 4.550 -0.024 0.000 0.250 524 Y C 1.345 176.916 175.900 -0.549 0.000 1.113 524 Y CA -0.786 56.935 58.100 -0.631 0.000 1.273 524 Y CB -0.957 36.665 38.460 -1.398 0.000 1.138 524 Y HN 0.459 nan 8.280 nan 0.000 0.522 525 N N 0.439 118.980 118.700 -0.265 0.000 2.714 525 N HA -0.257 4.469 4.740 -0.024 0.000 0.252 525 N C 0.026 175.454 175.510 -0.137 0.000 1.014 525 N CA -0.096 52.870 53.050 -0.140 0.000 0.735 525 N CB -0.868 37.591 38.487 -0.047 0.000 0.924 525 N HN 0.084 nan 8.380 nan 0.000 0.540 526 F N 0.508 120.196 119.950 -0.436 0.000 2.307 526 F HA -0.096 4.418 4.527 -0.022 0.000 0.301 526 F C 2.230 177.748 175.800 -0.471 0.000 1.076 526 F CA 0.771 58.328 58.000 -0.739 0.000 1.383 526 F CB -0.489 37.482 39.000 -1.714 0.000 1.055 526 F HN 0.294 nan 8.300 nan 0.000 0.526 527 N N 0.217 118.942 118.700 0.042 0.000 2.289 527 N HA -0.115 4.610 4.740 -0.024 0.000 0.184 527 N C 1.926 177.507 175.510 0.117 0.000 1.016 527 N CA 1.153 54.346 53.050 0.238 0.000 0.872 527 N CB -0.416 38.220 38.487 0.248 0.000 0.973 527 N HN 0.242 nan 8.380 nan 0.000 0.433 528 A N 0.128 122.986 122.820 0.063 0.000 2.208 528 A HA 0.148 4.453 4.320 -0.024 0.000 0.209 528 A C 0.897 178.500 177.584 0.032 0.000 1.161 528 A CA -0.100 51.962 52.037 0.042 0.000 0.782 528 A CB -0.150 18.866 19.000 0.027 0.000 0.816 528 A HN 0.139 nan 8.150 nan 0.000 0.477 529 I N 1.031 121.621 120.570 0.032 0.000 2.441 529 I HA 0.065 4.220 4.170 -0.024 0.000 0.287 529 I C 0.358 176.478 176.117 0.006 0.000 1.049 529 I CA -0.411 60.894 61.300 0.009 0.000 1.381 529 I CB 0.858 38.844 38.000 -0.023 0.000 1.409 529 I HN 0.192 nan 8.210 nan 0.000 0.523 530 N N 3.621 122.319 118.700 -0.004 0.000 2.322 530 N HA -0.033 4.692 4.740 -0.024 0.000 0.181 530 N C 0.550 176.050 175.510 -0.016 0.000 1.088 530 N CA 0.132 53.178 53.050 -0.005 0.000 0.885 530 N CB -0.010 38.477 38.487 -0.001 0.000 1.013 530 N HN 0.565 nan 8.380 nan 0.000 0.472 531 N N 2.163 120.849 118.700 -0.024 0.000 2.365 531 N HA -0.082 4.644 4.740 -0.024 0.000 0.265 531 N C 1.202 176.681 175.510 -0.052 0.000 1.288 531 N CA 0.265 53.298 53.050 -0.028 0.000 0.869 531 N CB 0.808 39.269 38.487 -0.044 0.000 1.071 531 N HN 0.154 nan 8.380 nan 0.000 0.480 532 S N 3.663 119.334 115.700 -0.048 0.000 2.368 532 S HA -0.109 4.346 4.470 -0.024 0.000 0.224 532 S C 1.285 175.661 174.600 -0.374 0.000 1.029 532 S CA 0.640 58.725 58.200 -0.193 0.000 0.988 532 S CB -0.076 63.081 63.200 -0.072 0.000 0.838 532 S HN 0.628 nan 8.310 nan 0.000 0.462 533 E N 1.584 121.724 120.200 -0.100 0.000 2.051 533 E HA -0.038 4.297 4.350 -0.024 0.000 0.192 533 E C 2.202 178.814 176.600 0.020 0.000 0.991 533 E CA 1.275 57.694 56.400 0.031 0.000 0.799 533 E CB -0.459 29.334 29.700 0.156 0.000 0.748 533 E HN 0.612 nan 8.360 nan 0.000 0.449 534 I N 0.646 121.193 120.570 -0.038 0.000 2.179 534 I HA -0.263 3.893 4.170 -0.024 0.000 0.242 534 I C 2.861 178.935 176.117 -0.073 0.000 1.088 534 I CA 1.063 62.308 61.300 -0.093 0.000 1.357 534 I CB -0.306 37.604 38.000 -0.151 0.000 1.051 534 I HN 0.028 nan 8.210 nan 0.000 0.409 535 R N 0.716 121.182 120.500 -0.055 0.000 2.081 535 R HA -0.237 4.088 4.340 -0.024 0.000 0.235 535 R C 2.470 178.769 176.300 -0.001 0.000 1.131 535 R CA 1.793 57.904 56.100 0.018 0.000 0.960 535 R CB -0.425 29.866 30.300 -0.015 0.000 0.856 535 R HN 0.252 nan 8.270 nan 0.000 0.436 536 F N 1.455 121.224 119.950 -0.303 0.000 2.065 536 F HA -0.224 4.294 4.527 -0.016 0.000 0.298 536 F C 2.124 177.828 175.800 -0.160 0.000 1.112 536 F CA 1.834 59.637 58.000 -0.328 0.000 1.212 536 F CB -0.273 38.353 39.000 -0.622 0.000 0.975 536 F HN -0.075 nan 8.300 nan 0.000 0.476 537 R N -0.383 119.915 120.500 -0.337 0.000 2.092 537 R HA -0.218 4.107 4.340 -0.024 0.000 0.231 537 R C 2.408 178.559 176.300 -0.248 0.000 1.119 537 R CA 1.634 57.482 56.100 -0.420 0.000 0.970 537 R CB -1.152 29.023 30.300 -0.208 0.000 0.864 537 R HN 0.670 nan 8.270 nan 0.000 0.440 538 W N 1.703 122.822 121.300 -0.302 0.000 2.335 538 W HA -0.210 4.435 4.660 -0.026 0.000 0.311 538 W C 1.318 177.745 176.519 -0.153 0.000 1.213 538 W CA 1.258 58.479 57.345 -0.207 0.000 1.274 538 W CB -0.182 29.180 29.460 -0.164 0.000 1.148 538 W HN 0.073 nan 8.180 nan 0.000 0.498 539 L N 0.659 121.658 121.223 -0.374 0.000 2.056 539 L HA -0.191 4.135 4.340 -0.024 0.000 0.207 539 L C 2.881 179.496 176.870 -0.425 0.000 1.078 539 L CA 1.311 55.866 54.840 -0.475 0.000 0.749 539 L CB -0.918 40.976 42.059 -0.276 0.000 0.901 539 L HN -0.077 nan 8.230 nan 0.000 0.433 540 R N -0.163 120.081 120.500 -0.428 0.000 2.091 540 R HA -0.199 4.126 4.340 -0.024 0.000 0.238 540 R C 2.245 178.334 176.300 -0.352 0.000 1.136 540 R CA 1.364 57.223 56.100 -0.401 0.000 0.959 540 R CB -0.643 29.339 30.300 -0.529 0.000 0.856 540 R HN 0.191 nan 8.270 nan 0.000 0.437 541 L N 0.832 121.842 121.223 -0.355 0.000 2.042 541 L HA -0.208 4.118 4.340 -0.024 0.000 0.210 541 L C 2.159 178.825 176.870 -0.340 0.000 1.076 541 L CA 1.693 56.353 54.840 -0.298 0.000 0.749 541 L CB -0.564 41.375 42.059 -0.200 0.000 0.893 541 L HN 0.193 nan 8.230 nan 0.000 0.432 542 C N -0.558 118.451 119.300 -0.485 0.000 2.453 542 C HA -0.117 4.329 4.460 -0.024 0.000 0.277 542 C C 2.697 177.526 174.990 -0.268 0.000 1.262 542 C CA 0.438 59.231 59.018 -0.376 0.000 1.718 542 C CB -0.917 26.509 27.740 -0.523 0.000 2.031 542 C HN 0.558 nan 8.230 nan 0.000 0.480 543 I N 0.987 121.374 120.570 -0.304 0.000 2.179 543 I HA -0.201 3.955 4.170 -0.024 0.000 0.242 543 I C 2.565 178.422 176.117 -0.433 0.000 1.088 543 I CA 1.708 62.825 61.300 -0.305 0.000 1.357 543 I CB -1.675 36.219 38.000 -0.176 0.000 1.051 543 I HN 0.515 nan 8.210 nan 0.000 0.409 544 Q N 0.122 119.732 119.800 -0.316 0.000 2.226 544 Q HA -0.098 4.228 4.340 -0.024 0.000 0.204 544 Q C 1.994 177.815 176.000 -0.298 0.000 0.975 544 Q CA 1.352 56.987 55.803 -0.280 0.000 0.866 544 Q CB -0.092 28.520 28.738 -0.211 0.000 0.915 544 Q HN 0.382 nan 8.270 nan 0.000 0.440 545 S N 0.211 115.736 115.700 -0.291 0.000 2.593 545 S HA 0.067 4.522 4.470 -0.024 0.000 0.217 545 S C -0.108 174.319 174.600 -0.289 0.000 0.966 545 S CA 0.053 58.105 58.200 -0.247 0.000 0.914 545 S CB 0.158 63.240 63.200 -0.196 0.000 0.776 545 S HN 0.295 nan 8.310 nan 0.000 0.523 546 K N -0.264 119.822 120.400 -0.524 0.000 3.218 546 K HA -0.161 4.145 4.320 -0.024 0.000 0.276 546 K C -0.900 175.582 176.600 -0.198 0.000 1.173 546 K CA 0.362 56.162 56.287 -0.811 0.000 0.812 546 K CB -1.511 30.716 32.500 -0.455 0.000 1.275 546 K HN 0.444 nan 8.250 nan 0.000 0.504 547 W N 2.769 123.891 121.300 -0.298 0.000 2.416 547 W HA 0.190 4.836 4.660 -0.024 0.000 0.318 547 W C 0.870 177.428 176.519 0.066 0.000 1.150 547 W CA -0.871 56.421 57.345 -0.088 0.000 1.392 547 W CB 0.054 29.427 29.460 -0.144 0.000 1.311 547 W HN 0.145 nan 8.180 nan 0.000 0.436 548 E N 2.015 122.449 120.200 0.390 0.000 2.160 548 E HA -0.257 4.079 4.350 -0.024 0.000 0.195 548 E C 1.082 177.632 176.600 -0.082 0.000 0.991 548 E CA 1.660 58.191 56.400 0.218 0.000 0.810 548 E CB 0.235 30.039 29.700 0.174 0.000 0.742 548 E HN 0.395 nan 8.360 nan 0.000 0.466 549 D N 0.434 120.606 120.400 -0.380 0.000 2.221 549 D HA -0.121 4.505 4.640 -0.024 0.000 0.204 549 D C 1.634 177.575 176.300 -0.598 0.000 0.982 549 D CA 1.131 54.782 54.000 -0.581 0.000 0.857 549 D CB -0.120 40.118 40.800 -0.937 0.000 0.934 549 D HN 0.201 nan 8.370 nan 0.000 0.475 550 A N -0.162 122.278 122.820 -0.633 0.000 2.169 550 A HA 0.044 4.350 4.320 -0.024 0.000 0.212 550 A C 2.129 179.568 177.584 -0.242 0.000 1.153 550 A CA 0.049 51.812 52.037 -0.457 0.000 0.756 550 A CB -0.400 18.332 19.000 -0.447 0.000 0.813 550 A HN 0.155 nan 8.150 nan 0.000 0.471 551 I N 0.902 121.382 120.570 -0.150 0.000 2.091 551 I HA -0.194 3.962 4.170 -0.024 0.000 0.239 551 I C -0.271 175.779 176.117 -0.111 0.000 1.061 551 I CA 1.776 63.027 61.300 -0.081 0.000 1.317 551 I CB -0.983 36.992 38.000 -0.040 0.000 1.031 551 I HN 0.243 nan 8.210 nan 0.000 0.401 552 P HA -0.147 nan 4.420 nan 0.000 0.218 552 P C 1.927 179.164 177.300 -0.106 0.000 1.149 552 P CA 1.598 64.640 63.100 -0.097 0.000 0.817 552 P CB -0.083 31.566 31.700 -0.084 0.000 0.785 553 L N -0.585 120.561 121.223 -0.128 0.000 2.056 553 L HA -0.112 4.214 4.340 -0.024 0.000 0.207 553 L C 2.794 179.590 176.870 -0.124 0.000 1.078 553 L CA 1.624 56.395 54.840 -0.115 0.000 0.749 553 L CB -1.341 40.644 42.059 -0.123 0.000 0.901 553 L HN -0.059 nan 8.230 nan 0.000 0.433 554 A N 0.262 122.990 122.820 -0.153 0.000 1.898 554 A HA -0.132 4.173 4.320 -0.024 0.000 0.216 554 A C 2.283 179.745 177.584 -0.204 0.000 1.181 554 A CA 1.272 53.208 52.037 -0.168 0.000 0.620 554 A CB -0.685 18.213 19.000 -0.171 0.000 0.819 554 A HN 0.319 nan 8.150 nan 0.000 0.442 555 L N -0.523 120.581 121.223 -0.199 0.000 2.042 555 L HA -0.238 4.087 4.340 -0.024 0.000 0.210 555 L C 2.652 179.397 176.870 -0.208 0.000 1.076 555 L CA 2.077 56.773 54.840 -0.240 0.000 0.749 555 L CB -0.396 41.574 42.059 -0.148 0.000 0.893 555 L HN 0.507 nan 8.230 nan 0.000 0.432 556 K N 0.282 120.601 120.400 -0.135 0.000 2.009 556 K HA -0.262 4.044 4.320 -0.024 0.000 0.210 556 K C 2.257 178.802 176.600 -0.092 0.000 1.049 556 K CA 1.885 58.115 56.287 -0.094 0.000 0.929 556 K CB -0.178 32.285 32.500 -0.062 0.000 0.714 556 K HN 0.121 nan 8.250 nan 0.000 0.440 557 M N 0.235 119.779 119.600 -0.092 0.000 2.149 557 M HA -0.152 4.314 4.480 -0.024 0.000 0.261 557 M C 1.955 178.215 176.300 -0.067 0.000 1.064 557 M CA 1.850 57.111 55.300 -0.065 0.000 1.102 557 M CB -0.105 32.459 32.600 -0.060 0.000 1.369 557 M HN 0.318 nan 8.290 nan 0.000 0.408 558 A N -0.508 122.217 122.820 -0.158 0.000 1.972 558 A HA -0.147 4.158 4.320 -0.024 0.000 0.219 558 A C 2.086 179.621 177.584 -0.081 0.000 1.169 558 A CA 2.099 54.013 52.037 -0.206 0.000 0.635 558 A CB -0.970 17.623 19.000 -0.677 0.000 0.810 558 A HN 0.703 nan 8.150 nan 0.000 0.446 559 T N -3.986 110.492 114.554 -0.126 0.000 3.000 559 T HA 0.157 4.493 4.350 -0.024 0.000 0.248 559 T C 1.422 176.096 174.700 -0.042 0.000 1.034 559 T CA 0.709 62.736 62.100 -0.121 0.000 1.060 559 T CB -0.073 68.532 68.868 -0.438 0.000 0.983 559 T HN 0.489 nan 8.240 nan 0.000 0.482 560 E N 1.183 121.368 120.200 -0.025 0.000 2.358 560 E HA 0.038 4.374 4.350 -0.024 0.000 0.195 560 E C 0.563 177.187 176.600 0.041 0.000 1.010 560 E CA 0.463 56.873 56.400 0.018 0.000 0.856 560 E CB 0.132 29.837 29.700 0.009 0.000 0.795 560 E HN 0.739 nan 8.360 nan 0.000 0.504 561 Q N -1.798 118.032 119.800 0.049 0.000 2.528 561 Q HA 0.544 4.869 4.340 -0.024 0.000 0.289 561 Q C 0.238 176.284 176.000 0.078 0.000 1.091 561 Q CA -0.816 55.031 55.803 0.074 0.000 0.797 561 Q CB 1.212 30.009 28.738 0.099 0.000 1.466 561 Q HN -0.060 nan 8.270 nan 0.000 0.436 562 G N -0.280 108.557 108.800 0.061 0.000 3.979 562 G HA2 0.112 4.058 3.960 -0.024 0.000 0.287 562 G HA3 0.112 4.058 3.960 -0.024 0.000 0.287 562 G C -0.485 174.365 174.900 -0.083 0.000 1.011 562 G CA -0.542 44.576 45.100 0.029 0.000 0.818 562 G HN 0.435 nan 8.290 nan 0.000 0.470 563 R N 0.954 121.395 120.500 -0.099 0.000 2.421 563 R HA 0.227 4.553 4.340 -0.024 0.000 0.305 563 R C 1.533 177.641 176.300 -0.320 0.000 1.039 563 R CA -0.232 55.701 56.100 -0.279 0.000 1.003 563 R CB 0.266 30.361 30.300 -0.341 0.000 0.959 563 R HN 0.156 nan 8.270 nan 0.000 0.427 564 M N 3.539 122.902 119.600 -0.394 0.000 2.159 564 M HA -0.219 4.246 4.480 -0.024 0.000 0.263 564 M C 2.046 178.193 176.300 -0.255 0.000 1.063 564 M CA 1.664 56.793 55.300 -0.286 0.000 1.110 564 M CB -0.283 32.114 32.600 -0.337 0.000 1.374 564 M HN 0.632 nan 8.290 nan 0.000 0.411 565 K N 0.448 120.610 120.400 -0.397 0.000 2.144 565 K HA -0.213 4.092 4.320 -0.024 0.000 0.209 565 K C 1.378 177.639 176.600 -0.565 0.000 1.047 565 K CA 1.770 57.760 56.287 -0.495 0.000 0.927 565 K CB 0.035 32.080 32.500 -0.758 0.000 0.716 565 K HN 0.179 nan 8.250 nan 0.000 0.454 566 F N -0.247 119.402 119.950 -0.502 0.000 2.315 566 F HA 0.092 4.612 4.527 -0.012 0.000 0.284 566 F C 2.551 178.288 175.800 -0.106 0.000 1.049 566 F CA 0.625 58.260 58.000 -0.609 0.000 1.323 566 F CB -1.072 37.649 39.000 -0.465 0.000 1.113 566 F HN -0.099 nan 8.300 nan 0.000 0.544 567 T N 0.884 115.512 114.554 0.123 0.000 2.684 567 T HA -0.188 4.148 4.350 -0.024 0.000 0.267 567 T C 2.165 177.010 174.700 0.241 0.000 1.036 567 T CA 1.667 63.869 62.100 0.171 0.000 1.148 567 T CB -0.245 68.716 68.868 0.156 0.000 0.863 567 T HN 0.120 nan 8.240 nan 0.000 0.436 568 R N 0.616 121.200 120.500 0.139 0.000 2.070 568 R HA -0.054 4.272 4.340 -0.024 0.000 0.233 568 R C -0.471 175.921 176.300 0.153 0.000 1.137 568 R CA 1.516 57.691 56.100 0.125 0.000 0.945 568 R CB -1.278 29.038 30.300 0.027 0.000 0.845 568 R HN 0.364 nan 8.270 nan 0.000 0.430 569 P HA -0.082 nan 4.420 nan 0.000 0.221 569 P C 1.100 178.497 177.300 0.162 0.000 1.150 569 P CA 1.035 64.244 63.100 0.182 0.000 0.800 569 P CB 0.028 31.920 31.700 0.320 0.000 0.787 570 L N -2.397 118.950 121.223 0.207 0.000 2.017 570 L HA -0.166 4.160 4.340 -0.024 0.000 0.208 570 L C 2.304 179.151 176.870 -0.038 0.000 1.073 570 L CA 1.496 56.363 54.840 0.044 0.000 0.745 570 L CB -0.919 41.139 42.059 -0.002 0.000 0.894 570 L HN -0.094 nan 8.230 nan 0.000 0.432 571 F N 0.499 120.462 119.950 0.021 0.000 2.134 571 F HA -0.230 4.281 4.527 -0.027 0.000 0.299 571 F C 2.517 178.302 175.800 -0.025 0.000 1.097 571 F CA 1.497 59.487 58.000 -0.017 0.000 1.264 571 F CB -0.374 38.596 39.000 -0.049 0.000 1.001 571 F HN -0.085 nan 8.300 nan 0.000 0.479 572 K N -0.024 120.476 120.400 0.166 0.000 2.032 572 K HA -0.194 4.112 4.320 -0.024 0.000 0.209 572 K C 1.732 178.371 176.600 0.064 0.000 1.048 572 K CA 1.823 58.160 56.287 0.083 0.000 0.927 572 K CB -0.322 32.203 32.500 0.042 0.000 0.712 572 K HN 0.128 nan 8.250 nan 0.000 0.441 573 D N 0.818 121.240 120.400 0.036 0.000 2.097 573 D HA -0.137 4.488 4.640 -0.024 0.000 0.195 573 D C 1.897 178.236 176.300 0.066 0.000 0.989 573 D CA 1.012 55.018 54.000 0.010 0.000 0.827 573 D CB -0.257 40.509 40.800 -0.056 0.000 0.966 573 D HN 0.083 nan 8.370 nan 0.000 0.456 574 L N 0.500 121.755 121.223 0.055 0.000 2.079 574 L HA -0.174 4.152 4.340 -0.024 0.000 0.210 574 L C 2.397 179.341 176.870 0.123 0.000 1.081 574 L CA 1.242 56.132 54.840 0.084 0.000 0.752 574 L CB -0.374 41.675 42.059 -0.018 0.000 0.896 574 L HN -0.000 nan 8.230 nan 0.000 0.433 575 A N -0.418 122.474 122.820 0.120 0.000 1.968 575 A HA 0.004 4.310 4.320 -0.024 0.000 0.217 575 A C 2.412 180.163 177.584 0.277 0.000 1.169 575 A CA 1.330 53.456 52.037 0.148 0.000 0.638 575 A CB -0.469 18.587 19.000 0.093 0.000 0.812 575 A HN 0.378 nan 8.150 nan 0.000 0.446 576 A N -1.558 121.373 122.820 0.185 0.000 2.123 576 A HA 0.274 4.580 4.320 -0.024 0.000 0.214 576 A C 0.626 178.339 177.584 0.214 0.000 1.152 576 A CA 0.093 52.223 52.037 0.156 0.000 0.728 576 A CB -0.286 18.762 19.000 0.081 0.000 0.814 576 A HN 0.430 nan 8.150 nan 0.000 0.464 577 F N 2.512 122.486 119.950 0.041 0.000 2.413 577 F HA 0.310 4.822 4.527 -0.025 0.000 0.359 577 F C 0.756 176.590 175.800 0.056 0.000 1.122 577 F CA -1.824 56.191 58.000 0.025 0.000 1.160 577 F CB 0.521 39.522 39.000 0.001 0.000 1.146 577 F HN 0.328 nan 8.300 nan 0.000 0.514 578 D N 3.790 124.269 120.400 0.132 0.000 2.182 578 D HA -0.237 4.389 4.640 -0.024 0.000 0.201 578 D C 1.325 177.480 176.300 -0.241 0.000 0.986 578 D CA 1.422 55.394 54.000 -0.047 0.000 0.847 578 D CB -0.224 40.562 40.800 -0.023 0.000 0.942 578 D HN 0.422 nan 8.370 nan 0.000 0.467 579 K N 0.082 120.071 120.400 -0.685 0.000 2.283 579 K HA 0.012 4.318 4.320 -0.024 0.000 0.202 579 K C 1.744 178.030 176.600 -0.524 0.000 1.048 579 K CA 1.254 57.110 56.287 -0.718 0.000 0.948 579 K CB -0.074 31.786 32.500 -1.066 0.000 0.742 579 K HN 0.441 nan 8.250 nan 0.000 0.458 580 S N -0.881 114.529 115.700 -0.484 0.000 2.603 580 S HA 0.017 4.473 4.470 -0.024 0.000 0.232 580 S C 1.620 176.194 174.600 -0.044 0.000 1.016 580 S CA -0.447 57.639 58.200 -0.190 0.000 0.976 580 S CB -0.207 62.936 63.200 -0.096 0.000 0.921 580 S HN 0.276 nan 8.310 nan 0.000 0.516 581 H N 2.549 121.566 119.070 -0.087 0.000 2.289 581 H HA -0.129 4.413 4.556 -0.024 0.000 0.296 581 H C 0.930 176.266 175.328 0.014 0.000 1.091 581 H CA 2.333 58.376 56.048 -0.010 0.000 1.274 581 H CB -0.364 29.392 29.762 -0.011 0.000 1.364 581 H HN 0.323 nan 8.280 nan 0.000 0.490 582 D N 0.414 120.854 120.400 0.067 0.000 2.144 582 D HA -0.114 4.512 4.640 -0.024 0.000 0.200 582 D C 2.491 178.784 176.300 -0.012 0.000 0.978 582 D CA 0.810 54.830 54.000 0.032 0.000 0.833 582 D CB -0.257 40.587 40.800 0.075 0.000 0.961 582 D HN 0.549 nan 8.370 nan 0.000 0.470 583 Q N 0.259 120.053 119.800 -0.011 0.000 2.084 583 Q HA -0.073 4.253 4.340 -0.024 0.000 0.202 583 Q C 2.200 178.228 176.000 0.047 0.000 0.978 583 Q CA 1.440 57.248 55.803 0.008 0.000 0.844 583 Q CB -0.091 28.637 28.738 -0.015 0.000 0.898 583 Q HN 0.223 nan 8.270 nan 0.000 0.426 584 A N 0.258 123.094 122.820 0.028 0.000 1.858 584 A HA -0.166 4.139 4.320 -0.024 0.000 0.216 584 A C 2.335 180.040 177.584 0.202 0.000 1.190 584 A CA 1.551 53.680 52.037 0.153 0.000 0.617 584 A CB -0.894 18.171 19.000 0.108 0.000 0.827 584 A HN 0.219 nan 8.150 nan 0.000 0.443 585 V N 0.124 120.038 119.914 -0.001 0.000 2.287 585 V HA -0.277 3.829 4.120 -0.024 0.000 0.248 585 V C 2.696 178.860 176.094 0.117 0.000 1.053 585 V CA 2.412 64.725 62.300 0.021 0.000 1.027 585 V CB -0.828 30.941 31.823 -0.091 0.000 0.646 585 V HN 0.675 nan 8.190 nan 0.000 0.447 586 R N -0.280 120.269 120.500 0.083 0.000 2.073 586 R HA -0.170 4.156 4.340 -0.024 0.000 0.234 586 R C 2.369 178.748 176.300 0.131 0.000 1.134 586 R CA 2.153 58.302 56.100 0.082 0.000 0.952 586 R CB -0.513 29.821 30.300 0.056 0.000 0.850 586 R HN 0.542 nan 8.270 nan 0.000 0.433 587 T N 0.319 114.996 114.554 0.204 0.000 2.708 587 T HA -0.217 4.118 4.350 -0.024 0.000 0.266 587 T C 1.376 176.315 174.700 0.399 0.000 1.037 587 T CA 1.630 63.922 62.100 0.320 0.000 1.146 587 T CB -0.565 68.483 68.868 0.300 0.000 0.865 587 T HN 0.402 nan 8.240 nan 0.000 0.435 588 Y N 1.999 122.419 120.300 0.200 0.000 2.081 588 Y HA -0.258 4.276 4.550 -0.026 0.000 0.280 588 Y C 2.524 178.432 175.900 0.014 0.000 1.163 588 Y CA 1.632 59.707 58.100 -0.041 0.000 1.135 588 Y CB -0.624 37.620 38.460 -0.361 0.000 0.970 588 Y HN 0.239 nan 8.280 nan 0.000 0.498 589 Q N -0.079 119.613 119.800 -0.179 0.000 2.135 589 Q HA -0.223 4.102 4.340 -0.024 0.000 0.204 589 Q C 2.181 178.061 176.000 -0.201 0.000 0.981 589 Q CA 2.046 57.691 55.803 -0.265 0.000 0.856 589 Q CB -0.168 28.527 28.738 -0.072 0.000 0.902 589 Q HN 0.639 nan 8.270 nan 0.000 0.425 590 E N -0.751 119.399 120.200 -0.084 0.000 2.150 590 E HA -0.172 4.164 4.350 -0.024 0.000 0.193 590 E C 1.401 177.863 176.600 -0.230 0.000 0.985 590 E CA 0.974 57.296 56.400 -0.130 0.000 0.814 590 E CB 0.096 29.732 29.700 -0.106 0.000 0.752 590 E HN 0.480 nan 8.360 nan 0.000 0.466 591 H N -0.460 118.551 119.070 -0.098 0.000 2.595 591 H HA 0.120 4.662 4.556 -0.024 0.000 0.265 591 H C 1.623 176.874 175.328 -0.128 0.000 0.953 591 H CA 0.439 56.452 56.048 -0.059 0.000 1.197 591 H CB 0.298 30.085 29.762 0.042 0.000 1.438 591 H HN -0.058 nan 8.280 nan 0.000 0.531 592 K N 1.190 121.461 120.400 -0.216 0.000 2.066 592 K HA -0.309 3.997 4.320 -0.024 0.000 0.221 592 K C 2.195 178.715 176.600 -0.133 0.000 1.056 592 K CA 1.930 58.017 56.287 -0.334 0.000 0.950 592 K CB -0.258 31.932 32.500 -0.517 0.000 0.726 592 K HN 0.317 nan 8.250 nan 0.000 0.456 593 A N -0.038 122.716 122.820 -0.110 0.000 1.972 593 A HA -0.116 4.190 4.320 -0.024 0.000 0.219 593 A C 1.906 179.478 177.584 -0.020 0.000 1.169 593 A CA 2.011 54.010 52.037 -0.063 0.000 0.635 593 A CB -0.393 18.568 19.000 -0.066 0.000 0.810 593 A HN 0.541 nan 8.150 nan 0.000 0.446 594 S N -1.664 114.037 115.700 0.002 0.000 2.557 594 S HA 0.446 4.902 4.470 -0.024 0.000 0.223 594 S C 0.555 175.203 174.600 0.080 0.000 0.969 594 S CA -0.408 57.819 58.200 0.045 0.000 0.927 594 S CB -0.315 62.915 63.200 0.050 0.000 0.806 594 S HN 0.428 nan 8.310 nan 0.000 0.489 595 M N 2.061 121.705 119.600 0.072 0.000 2.227 595 M HA 0.260 4.726 4.480 -0.024 0.000 0.316 595 M C 0.732 177.086 176.300 0.090 0.000 1.144 595 M CA -0.500 54.864 55.300 0.106 0.000 1.121 595 M CB 0.362 33.026 32.600 0.107 0.000 1.440 595 M HN 0.287 nan 8.290 nan 0.000 0.473 596 H N 3.353 122.446 119.070 0.040 0.000 2.897 596 H HA 0.034 4.579 4.556 -0.019 0.000 0.347 596 H C -1.832 173.478 175.328 -0.030 0.000 1.068 596 H CA -0.653 55.394 56.048 -0.002 0.000 1.426 596 H CB 0.927 30.694 29.762 0.008 0.000 1.410 596 H HN 0.362 nan 8.280 nan 0.000 0.597 597 P HA -0.145 nan 4.420 nan 0.000 0.217 597 P C 1.624 178.922 177.300 -0.003 0.000 1.150 597 P CA 0.711 63.721 63.100 -0.150 0.000 0.832 597 P CB 0.375 31.935 31.700 -0.233 0.000 0.787 598 V N 0.354 120.346 119.914 0.129 0.000 2.379 598 V HA -0.170 3.936 4.120 -0.024 0.000 0.245 598 V C 2.609 178.733 176.094 0.050 0.000 1.044 598 V CA 2.489 64.841 62.300 0.087 0.000 1.036 598 V CB -1.941 29.907 31.823 0.041 0.000 0.664 598 V HN 0.162 nan 8.190 nan 0.000 0.453 599 T N 0.696 115.295 114.554 0.075 0.000 2.746 599 T HA -0.182 4.153 4.350 -0.024 0.000 0.267 599 T C 2.107 176.832 174.700 0.041 0.000 1.039 599 T CA 1.633 63.731 62.100 -0.003 0.000 1.142 599 T CB -0.489 68.374 68.868 -0.009 0.000 0.866 599 T HN 0.558 nan 8.240 nan 0.000 0.444 600 A N 2.251 125.128 122.820 0.095 0.000 1.892 600 A HA -0.132 4.174 4.320 -0.024 0.000 0.218 600 A C 2.318 179.987 177.584 0.143 0.000 1.188 600 A CA 1.919 54.055 52.037 0.165 0.000 0.631 600 A CB -0.751 18.310 19.000 0.102 0.000 0.822 600 A HN 0.419 nan 8.150 nan 0.000 0.447 601 M N -0.341 119.301 119.600 0.070 0.000 2.086 601 M HA -0.084 4.381 4.480 -0.024 0.000 0.261 601 M C 2.002 178.296 176.300 -0.009 0.000 1.067 601 M CA 1.790 57.117 55.300 0.044 0.000 1.116 601 M CB -0.762 31.861 32.600 0.038 0.000 1.348 601 M HN 0.430 nan 8.290 nan 0.000 0.407 602 L N -0.613 120.593 121.223 -0.028 0.000 2.072 602 L HA -0.161 4.165 4.340 -0.024 0.000 0.205 602 L C 2.466 179.260 176.870 -0.127 0.000 1.079 602 L CA 0.661 55.468 54.840 -0.055 0.000 0.752 602 L CB -0.790 41.244 42.059 -0.043 0.000 0.906 602 L HN 0.084 nan 8.230 nan 0.000 0.436 603 V N 0.371 120.172 119.914 -0.190 0.000 2.332 603 V HA -0.237 3.869 4.120 -0.024 0.000 0.248 603 V C 2.642 178.337 176.094 -0.664 0.000 1.055 603 V CA 2.063 64.120 62.300 -0.404 0.000 1.038 603 V CB -1.322 30.207 31.823 -0.491 0.000 0.651 603 V HN 0.583 nan 8.190 nan 0.000 0.450 604 G N -0.292 108.124 108.800 -0.640 0.000 2.446 604 G HA2 -0.267 3.679 3.960 -0.024 0.000 0.217 604 G HA3 -0.267 3.679 3.960 -0.024 0.000 0.217 604 G C 1.656 176.404 174.900 -0.253 0.000 1.168 604 G CA 0.973 45.766 45.100 -0.512 0.000 0.771 604 G HN 0.468 nan 8.290 nan 0.000 0.551 605 K N 0.328 120.641 120.400 -0.146 0.000 2.032 605 K HA -0.101 4.204 4.320 -0.024 0.000 0.209 605 K C 2.202 178.746 176.600 -0.093 0.000 1.048 605 K CA 1.425 57.665 56.287 -0.078 0.000 0.927 605 K CB -0.225 32.258 32.500 -0.028 0.000 0.712 605 K HN 0.177 nan 8.250 nan 0.000 0.441 606 D N 0.808 121.131 120.400 -0.128 0.000 2.149 606 D HA -0.143 4.483 4.640 -0.024 0.000 0.198 606 D C 1.588 177.822 176.300 -0.109 0.000 0.990 606 D CA 1.004 54.944 54.000 -0.100 0.000 0.839 606 D CB -0.033 40.707 40.800 -0.101 0.000 0.948 606 D HN 0.027 nan 8.370 nan 0.000 0.460 607 L N 0.241 121.343 121.223 -0.202 0.000 2.599 607 L HA 0.086 4.412 4.340 -0.024 0.000 0.230 607 L C 0.563 177.381 176.870 -0.087 0.000 1.141 607 L CA 0.397 55.134 54.840 -0.172 0.000 0.877 607 L CB -0.665 41.193 42.059 -0.335 0.000 1.009 607 L HN -0.007 nan 8.230 nan 0.000 0.447 608 K N -0.622 119.734 120.400 -0.073 0.000 3.150 608 K HA -0.155 4.151 4.320 -0.024 0.000 0.267 608 K C -0.111 176.483 176.600 -0.010 0.000 1.028 608 K CA 0.691 56.964 56.287 -0.023 0.000 0.753 608 K CB -1.772 30.734 32.500 0.010 0.000 1.288 608 K HN 0.301 nan 8.250 nan 0.000 0.473 609 V N 0.000 119.896 119.914 -0.030 0.000 2.409 609 V HA 0.000 4.106 4.120 -0.024 0.000 0.244 609 V CA 0.000 62.312 62.300 0.021 0.000 1.235 609 V CB 0.000 31.854 31.823 0.051 0.000 1.184 609 V HN 0.000 nan 8.190 nan 0.000 0.556