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 2jla_1_C DATA FIRST_RESID 2 DATA SEQUENCE SVSAFNRRWA AVILEALTRH GVRHICIAPG SRSTPLTLAA AENSAFIHHT DATA SEQUENCE HFDERGLGHL ALGLAKVSKQ PVAVIVTSGT AVANLYPALI EAGLTGEKLI DATA SEQUENCE LLTADRPPEL IDCGANQAIR QPGXFASHPT HSISLPRPTQ DIPARWLVST DATA SEQUENCE IDHALGTLHA GGVHINCPFA EPLYGEXDDT GLSWQQRLGD WWQDDKPWLR DATA SEQUENCE EAPRLESEKQ RDWFFWRQKR GVVVAGRXSA EEGKKVALWA QTLGWPLIGD DATA SEQUENCE VLSQTGQPLP CADLWLGNAK ATSELQQAQI VVQLGSSLTG KRLLQWQASC DATA SEQUENCE EPEEYWIVDD IEGRLDPAHH RGRRLIANIA DWLELHPAEK RQPWCVEIPR DATA SEQUENCE LAEQAXQAVI ARRDAFGEAQ LAHRICDYLP EQGQLFVGNS LVVRLIDALS DATA SEQUENCE QLPAGYPVYS NRGASGIDGL LSTAAGVQRA SGKPTLAIVG DLSALYDLNA DATA SEQUENCE LALLRQVSAP LVLIVVNNNG GQIFSLLPTP QSERERFYLX PQNVHFEHAA DATA SEQUENCE AXFELKYHRP QNWQELETAF ADAWRTPTTT VIEXVVNDTD GAQTLQQLLA DATA SEQUENCE QVSHL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.623 174.600 0.039 0.000 1.055 2 S CA 0.000 58.209 58.200 0.015 0.000 1.107 2 S CB 0.000 63.217 63.200 0.028 0.000 0.593 3 V N 3.838 123.762 119.914 0.017 0.000 2.282 3 V HA -0.153 3.965 4.120 -0.003 0.000 0.249 3 V C 2.759 178.883 176.094 0.049 0.000 1.057 3 V CA 2.642 64.964 62.300 0.036 0.000 1.032 3 V CB -1.110 30.712 31.823 -0.002 0.000 0.645 3 V HN 0.881 nan 8.190 nan 0.000 0.447 4 S N -0.025 115.681 115.700 0.011 0.000 2.359 4 S HA -0.263 4.206 4.470 -0.003 0.000 0.223 4 S C 2.121 176.711 174.600 -0.016 0.000 1.039 4 S CA 1.995 60.179 58.200 -0.026 0.000 1.042 4 S CB -0.458 62.732 63.200 -0.016 0.000 0.915 4 S HN 0.660 nan 8.310 nan 0.000 0.439 5 A N 0.000 122.838 122.820 0.029 0.000 1.933 5 A HA 0.029 4.348 4.320 -0.003 0.000 0.218 5 A C 1.996 179.628 177.584 0.079 0.000 1.175 5 A CA 1.509 53.574 52.037 0.046 0.000 0.628 5 A CB -0.955 18.083 19.000 0.064 0.000 0.814 5 A HN 0.671 nan 8.150 nan 0.000 0.444 6 F N 1.411 121.336 119.950 -0.041 0.000 2.259 6 F HA -0.105 4.421 4.527 -0.003 0.000 0.298 6 F C 1.877 177.678 175.800 0.001 0.000 1.088 6 F CA 1.461 59.429 58.000 -0.054 0.000 1.358 6 F CB -0.192 38.727 39.000 -0.134 0.000 1.040 6 F HN 0.202 nan 8.300 nan 0.000 0.505 7 N N 0.587 119.250 118.700 -0.060 0.000 2.205 7 N HA -0.160 4.579 4.740 -0.003 0.000 0.186 7 N C 1.851 177.293 175.510 -0.114 0.000 1.015 7 N CA 1.216 54.223 53.050 -0.071 0.000 0.862 7 N CB -0.352 38.049 38.487 -0.143 0.000 0.986 7 N HN 0.401 nan 8.380 nan 0.000 0.429 8 R N 0.251 120.681 120.500 -0.117 0.000 2.127 8 R HA 0.182 4.521 4.340 -0.003 0.000 0.217 8 R C 1.957 178.270 176.300 0.022 0.000 1.074 8 R CA 0.310 56.373 56.100 -0.061 0.000 0.991 8 R CB 0.143 30.410 30.300 -0.054 0.000 0.895 8 R HN 0.150 nan 8.270 nan 0.000 0.450 9 R N 0.275 120.757 120.500 -0.029 0.000 2.092 9 R HA -0.140 4.199 4.340 -0.003 0.000 0.231 9 R C 1.896 178.296 176.300 0.166 0.000 1.119 9 R CA 0.896 57.036 56.100 0.067 0.000 0.970 9 R CB -0.457 29.866 30.300 0.039 0.000 0.864 9 R HN 0.441 nan 8.270 nan 0.000 0.440 10 W N 1.604 122.712 121.300 -0.321 0.000 2.354 10 W HA -0.160 4.498 4.660 -0.003 0.000 0.315 10 W C 1.943 178.549 176.519 0.146 0.000 1.206 10 W CA 1.916 59.180 57.345 -0.135 0.000 1.290 10 W CB -0.241 29.024 29.460 -0.324 0.000 1.152 10 W HN 0.094 nan 8.180 nan 0.000 0.489 11 A N 0.807 123.868 122.820 0.403 0.000 1.933 11 A HA -0.058 4.261 4.320 -0.003 0.000 0.218 11 A C 2.146 179.877 177.584 0.246 0.000 1.175 11 A CA 2.505 54.741 52.037 0.331 0.000 0.628 11 A CB -1.287 17.852 19.000 0.232 0.000 0.814 11 A HN 0.322 nan 8.150 nan 0.000 0.444 12 A N -0.416 122.554 122.820 0.250 0.000 1.940 12 A HA -0.049 4.270 4.320 -0.003 0.000 0.219 12 A C 2.226 180.057 177.584 0.412 0.000 1.176 12 A CA 1.900 54.128 52.037 0.318 0.000 0.631 12 A CB -0.942 18.242 19.000 0.307 0.000 0.814 12 A HN 0.397 nan 8.150 nan 0.000 0.446 13 V N 0.219 120.363 119.914 0.384 0.000 2.295 13 V HA -0.287 3.831 4.120 -0.003 0.000 0.246 13 V C 2.428 178.586 176.094 0.108 0.000 1.049 13 V CA 2.074 64.515 62.300 0.235 0.000 1.024 13 V CB -0.726 31.151 31.823 0.090 0.000 0.648 13 V HN 0.587 nan 8.190 nan 0.000 0.447 14 I N -0.563 120.054 120.570 0.079 0.000 2.127 14 I HA -0.300 3.869 4.170 -0.003 0.000 0.241 14 I C 2.347 178.559 176.117 0.159 0.000 1.075 14 I CA 1.785 63.124 61.300 0.064 0.000 1.334 14 I CB -0.351 37.702 38.000 0.088 0.000 1.040 14 I HN 0.251 nan 8.210 nan 0.000 0.405 15 L N 0.141 121.501 121.223 0.228 0.000 2.109 15 L HA -0.183 4.155 4.340 -0.003 0.000 0.207 15 L C 2.551 179.649 176.870 0.379 0.000 1.086 15 L CA 1.196 56.228 54.840 0.321 0.000 0.760 15 L CB -0.420 41.838 42.059 0.332 0.000 0.910 15 L HN 0.157 nan 8.230 nan 0.000 0.437 16 E N 0.307 120.691 120.200 0.307 0.000 2.077 16 E HA -0.224 4.124 4.350 -0.003 0.000 0.193 16 E C 2.167 178.873 176.600 0.177 0.000 0.989 16 E CA 1.471 57.988 56.400 0.195 0.000 0.800 16 E CB -0.189 29.628 29.700 0.196 0.000 0.746 16 E HN 0.374 nan 8.360 nan 0.000 0.452 17 A N 0.729 123.720 122.820 0.286 0.000 1.892 17 A HA -0.211 4.107 4.320 -0.003 0.000 0.218 17 A C 2.352 180.098 177.584 0.270 0.000 1.188 17 A CA 1.798 54.015 52.037 0.299 0.000 0.631 17 A CB -0.964 18.127 19.000 0.152 0.000 0.822 17 A HN 0.368 nan 8.150 nan 0.000 0.447 18 L N -1.042 120.341 121.223 0.267 0.000 2.127 18 L HA -0.181 4.157 4.340 -0.003 0.000 0.211 18 L C 2.749 179.758 176.870 0.232 0.000 1.089 18 L CA 1.711 56.729 54.840 0.297 0.000 0.757 18 L CB -1.079 41.156 42.059 0.292 0.000 0.899 18 L HN 0.367 nan 8.230 nan 0.000 0.434 19 T N -0.485 114.143 114.554 0.124 0.000 2.737 19 T HA -0.174 4.175 4.350 -0.003 0.000 0.269 19 T C 1.851 176.492 174.700 -0.100 0.000 1.040 19 T CA 1.202 63.261 62.100 -0.069 0.000 1.142 19 T CB -0.117 68.629 68.868 -0.204 0.000 0.861 19 T HN 0.226 nan 8.240 nan 0.000 0.456 20 R N 0.705 121.125 120.500 -0.132 0.000 2.307 20 R HA 0.064 4.402 4.340 -0.003 0.000 0.199 20 R C 0.829 176.900 176.300 -0.382 0.000 1.000 20 R CA 0.623 56.556 56.100 -0.279 0.000 1.023 20 R CB -0.346 29.771 30.300 -0.306 0.000 0.908 20 R HN 0.612 nan 8.270 nan 0.000 0.473 21 H N -0.835 118.243 119.070 0.012 0.000 2.512 21 H HA 0.231 4.785 4.556 -0.003 0.000 0.276 21 H C 0.640 175.975 175.328 0.011 0.000 1.126 21 H CA 0.328 56.384 56.048 0.013 0.000 1.060 21 H CB 0.788 30.563 29.762 0.021 0.000 1.646 21 H HN 0.290 nan 8.280 nan 0.000 0.571 22 G N 1.500 110.333 108.800 0.056 0.000 2.160 22 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.244 22 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.244 22 G C 0.181 175.118 174.900 0.062 0.000 1.022 22 G CA 0.249 45.367 45.100 0.030 0.000 0.741 22 G HN 0.226 nan 8.290 nan 0.000 0.508 23 V N 0.033 120.010 119.914 0.105 0.000 2.470 23 V HA 0.505 4.623 4.120 -0.003 0.000 0.276 23 V C 1.301 177.480 176.094 0.141 0.000 1.040 23 V CA 0.980 63.381 62.300 0.167 0.000 1.008 23 V CB 1.305 33.286 31.823 0.264 0.000 0.990 23 V HN 0.509 nan 8.190 nan 0.000 0.477 24 R N 2.863 123.428 120.500 0.109 0.000 2.320 24 R HA 0.203 4.541 4.340 -0.003 0.000 0.193 24 R C 0.770 177.051 176.300 -0.032 0.000 0.885 24 R CA 0.404 56.479 56.100 -0.042 0.000 1.085 24 R CB 0.309 30.493 30.300 -0.194 0.000 1.253 24 R HN 0.755 nan 8.270 nan 0.000 0.636 25 H N 0.109 119.286 119.070 0.178 0.000 2.511 25 H HA 0.365 4.919 4.556 -0.003 0.000 0.346 25 H C -0.630 174.787 175.328 0.148 0.000 1.128 25 H CA -0.157 56.006 56.048 0.191 0.000 1.342 25 H CB 1.563 31.438 29.762 0.190 0.000 1.470 25 H HN 0.151 nan 8.280 nan 0.000 0.546 26 I N 1.638 122.338 120.570 0.216 0.000 2.569 26 I HA 0.198 4.366 4.170 -0.003 0.000 0.290 26 I C -1.085 175.121 176.117 0.148 0.000 1.088 26 I CA -0.383 60.944 61.300 0.045 0.000 1.047 26 I CB 1.068 38.881 38.000 -0.311 0.000 1.237 26 I HN 0.503 nan 8.210 nan 0.000 0.421 27 C N 7.830 127.194 119.300 0.107 0.000 2.281 27 C HA 0.611 5.069 4.460 -0.003 0.000 0.323 27 C C -0.102 174.941 174.990 0.089 0.000 1.270 27 C CA -0.609 58.484 59.018 0.125 0.000 1.559 27 C CB -0.202 27.579 27.740 0.068 0.000 2.239 27 C HN 0.464 nan 8.230 nan 0.000 0.488 28 I N 3.293 123.928 120.570 0.107 0.000 2.406 28 I HA 0.621 4.789 4.170 -0.003 0.000 0.290 28 I C 0.468 176.636 176.117 0.086 0.000 0.999 28 I CA 0.009 61.359 61.300 0.082 0.000 1.124 28 I CB 1.416 39.459 38.000 0.072 0.000 1.289 28 I HN 0.706 nan 8.210 nan 0.000 0.441 29 A N 7.519 130.383 122.820 0.074 0.000 2.299 29 A HA 0.927 5.246 4.320 -0.003 0.000 0.332 29 A C -2.608 175.017 177.584 0.069 0.000 1.131 29 A CA -1.569 50.511 52.037 0.071 0.000 0.844 29 A CB 0.494 19.532 19.000 0.063 0.000 1.251 29 A HN 0.435 nan 8.150 nan 0.000 0.486 30 P HA 0.601 nan 4.420 nan 0.000 0.276 30 P C -0.000 177.339 177.300 0.066 0.000 1.244 30 P CA 0.014 63.154 63.100 0.067 0.000 0.801 30 P CB 1.347 33.087 31.700 0.068 0.000 1.006 31 G N -1.082 107.758 108.800 0.067 0.000 2.355 31 G HA2 0.274 4.232 3.960 -0.003 0.000 0.296 31 G HA3 0.274 4.232 3.960 -0.003 0.000 0.296 31 G C 0.155 175.107 174.900 0.086 0.000 1.507 31 G CA 0.073 45.215 45.100 0.071 0.000 0.823 31 G HN 0.376 nan 8.290 nan 0.000 0.569 32 S N -0.819 114.940 115.700 0.098 0.000 2.371 32 S HA -0.017 4.452 4.470 -0.003 0.000 0.219 32 S C 2.332 176.970 174.600 0.064 0.000 1.040 32 S CA 1.487 59.773 58.200 0.143 0.000 0.958 32 S CB -0.192 63.109 63.200 0.169 0.000 0.860 32 S HN 0.552 nan 8.310 nan 0.000 0.487 33 R N 1.993 122.527 120.500 0.056 0.000 2.159 33 R HA 0.001 4.339 4.340 -0.003 0.000 0.237 33 R C 2.159 178.481 176.300 0.037 0.000 1.131 33 R CA 2.064 58.192 56.100 0.046 0.000 0.982 33 R CB -0.992 29.359 30.300 0.085 0.000 0.868 33 R HN 0.571 nan 8.270 nan 0.000 0.453 34 S N -1.871 113.854 115.700 0.042 0.000 2.561 34 S HA -0.035 4.434 4.470 -0.003 0.000 0.225 34 S C 1.722 176.276 174.600 -0.077 0.000 0.977 34 S CA 0.829 59.049 58.200 0.033 0.000 0.926 34 S CB -0.304 62.936 63.200 0.066 0.000 0.769 34 S HN 0.235 nan 8.310 nan 0.000 0.533 35 T N 3.907 118.391 114.554 -0.117 0.000 2.602 35 T HA -0.145 4.204 4.350 -0.003 0.000 0.264 35 T C -0.664 173.880 174.700 -0.260 0.000 1.085 35 T CA 2.384 64.381 62.100 -0.172 0.000 1.164 35 T CB -1.621 67.069 68.868 -0.298 0.000 0.860 35 T HN 0.420 nan 8.240 nan 0.000 0.442 36 P HA -0.013 nan 4.420 nan 0.000 0.216 36 P C 1.537 178.655 177.300 -0.302 0.000 1.150 36 P CA 0.984 63.753 63.100 -0.552 0.000 0.837 36 P CB -0.197 30.724 31.700 -1.298 0.000 0.786 37 L N -1.682 119.410 121.223 -0.220 0.000 2.044 37 L HA -0.115 4.223 4.340 -0.003 0.000 0.205 37 L C 2.316 179.181 176.870 -0.008 0.000 1.075 37 L CA 1.687 56.522 54.840 -0.009 0.000 0.747 37 L CB -1.601 40.517 42.059 0.098 0.000 0.903 37 L HN -0.019 nan 8.230 nan 0.000 0.435 38 T N 0.246 114.784 114.554 -0.027 0.000 2.867 38 T HA -0.077 4.271 4.350 -0.003 0.000 0.268 38 T C 1.951 176.642 174.700 -0.015 0.000 1.057 38 T CA 1.073 63.166 62.100 -0.012 0.000 1.136 38 T CB -0.124 68.743 68.868 -0.001 0.000 0.874 38 T HN 0.173 nan 8.240 nan 0.000 0.466 39 L N 0.634 121.843 121.223 -0.025 0.000 2.095 39 L HA 0.062 4.400 4.340 -0.003 0.000 0.204 39 L C 3.108 179.993 176.870 0.025 0.000 1.080 39 L CA 0.928 55.763 54.840 -0.008 0.000 0.759 39 L CB -0.766 41.283 42.059 -0.017 0.000 0.914 39 L HN 0.215 nan 8.230 nan 0.000 0.439 40 A N 0.611 123.452 122.820 0.035 0.000 1.883 40 A HA -0.240 4.079 4.320 -0.003 0.000 0.217 40 A C 2.559 180.241 177.584 0.163 0.000 1.186 40 A CA 2.042 54.139 52.037 0.101 0.000 0.624 40 A CB -0.780 18.290 19.000 0.116 0.000 0.822 40 A HN 0.398 nan 8.150 nan 0.000 0.444 41 A N -0.441 122.451 122.820 0.121 0.000 1.902 41 A HA 0.149 4.467 4.320 -0.003 0.000 0.217 41 A C 2.440 180.219 177.584 0.324 0.000 1.181 41 A CA 2.189 54.312 52.037 0.144 0.000 0.623 41 A CB -0.887 18.091 19.000 -0.036 0.000 0.818 41 A HN 1.137 nan 8.150 nan 0.000 0.443 42 A N 0.308 123.178 122.820 0.085 0.000 2.067 42 A HA -0.018 4.300 4.320 -0.003 0.000 0.217 42 A C 1.819 179.426 177.584 0.039 0.000 1.156 42 A CA 1.249 53.210 52.037 -0.127 0.000 0.683 42 A CB -0.410 18.470 19.000 -0.199 0.000 0.808 42 A HN 0.767 nan 8.150 nan 0.000 0.455 43 E N -0.585 119.680 120.200 0.109 0.000 2.442 43 E HA -0.015 4.333 4.350 -0.003 0.000 0.195 43 E C 0.360 177.057 176.600 0.161 0.000 1.030 43 E CA -0.116 56.348 56.400 0.108 0.000 0.869 43 E CB -0.255 29.490 29.700 0.076 0.000 0.857 43 E HN 0.355 nan 8.360 nan 0.000 0.505 44 N N 2.171 121.031 118.700 0.267 0.000 2.439 44 N HA -0.014 4.724 4.740 -0.003 0.000 0.243 44 N C 0.175 175.832 175.510 0.244 0.000 1.088 44 N CA -0.034 53.175 53.050 0.264 0.000 0.940 44 N CB 1.258 39.984 38.487 0.398 0.000 1.180 44 N HN 0.138 nan 8.380 nan 0.000 0.505 45 S N 1.904 117.666 115.700 0.103 0.000 2.701 45 S HA 0.076 4.544 4.470 -0.003 0.000 0.220 45 S C 1.451 176.010 174.600 -0.069 0.000 0.954 45 S CA 0.093 58.333 58.200 0.068 0.000 0.936 45 S CB 0.004 63.232 63.200 0.046 0.000 0.777 45 S HN 0.491 nan 8.310 nan 0.000 0.518 46 A N 0.479 123.159 122.820 -0.234 0.000 2.119 46 A HA 0.383 4.702 4.320 -0.003 0.000 0.216 46 A C 0.294 177.597 177.584 -0.467 0.000 1.152 46 A CA 0.182 51.968 52.037 -0.418 0.000 0.708 46 A CB -0.370 18.252 19.000 -0.630 0.000 0.805 46 A HN 0.521 nan 8.150 nan 0.000 0.460 47 F N -0.672 119.164 119.950 -0.190 0.000 2.397 47 F HA 0.537 5.062 4.527 -0.003 0.000 0.331 47 F C 0.186 175.693 175.800 -0.489 0.000 1.090 47 F CA -1.162 56.618 58.000 -0.366 0.000 1.065 47 F CB 1.046 39.739 39.000 -0.513 0.000 1.184 47 F HN -0.128 nan 8.300 nan 0.000 0.499 48 I N 3.079 123.536 120.570 -0.190 0.000 2.301 48 I HA 0.173 4.341 4.170 -0.003 0.000 0.292 48 I C -0.613 175.331 176.117 -0.288 0.000 1.046 48 I CA -0.368 60.794 61.300 -0.230 0.000 1.282 48 I CB 0.212 38.114 38.000 -0.162 0.000 1.409 48 I HN 0.504 nan 8.210 nan 0.000 0.484 49 H N 5.207 124.218 119.070 -0.098 0.000 2.580 49 H HA 0.416 4.971 4.556 -0.003 0.000 0.322 49 H C -0.521 174.648 175.328 -0.266 0.000 1.082 49 H CA -0.325 55.666 56.048 -0.095 0.000 1.383 49 H CB 0.543 30.291 29.762 -0.023 0.000 1.450 49 H HN 0.447 nan 8.280 nan 0.000 0.505 50 H N 1.498 120.670 119.070 0.170 0.000 2.524 50 H HA 0.369 4.923 4.556 -0.003 0.000 0.353 50 H C -0.114 175.277 175.328 0.104 0.000 1.136 50 H CA -0.726 55.390 56.048 0.113 0.000 1.193 50 H CB 2.022 31.823 29.762 0.065 0.000 1.558 50 H HN 0.750 nan 8.280 nan 0.000 0.515 51 T N -0.339 114.339 114.554 0.208 0.000 2.907 51 T HA 0.508 4.856 4.350 -0.003 0.000 0.292 51 T C -0.801 174.020 174.700 0.202 0.000 1.043 51 T CA -0.793 61.408 62.100 0.169 0.000 1.003 51 T CB 2.785 71.731 68.868 0.130 0.000 1.084 51 T HN 0.761 nan 8.240 nan 0.000 0.483 52 H N 0.784 119.874 119.070 0.034 0.000 3.042 52 H HA 0.484 5.038 4.556 -0.003 0.000 0.346 52 H C -0.333 174.980 175.328 -0.026 0.000 1.294 52 H CA -1.263 54.746 56.048 -0.064 0.000 1.141 52 H CB 1.070 30.724 29.762 -0.179 0.000 1.872 52 H HN 0.589 nan 8.280 nan 0.000 0.541 53 F N -0.563 118.953 119.950 -0.723 0.000 2.582 53 F HA 0.300 4.825 4.527 -0.003 0.000 0.290 53 F C 0.369 175.971 175.800 -0.329 0.000 1.115 53 F CA -0.267 57.503 58.000 -0.384 0.000 1.445 53 F CB 0.272 39.127 39.000 -0.240 0.000 1.126 53 F HN 0.339 nan 8.300 nan 0.000 0.574 54 D N 1.628 121.548 120.400 -0.800 0.000 2.396 54 D HA 0.102 4.741 4.640 -0.003 0.000 0.225 54 D C 0.706 176.986 176.300 -0.033 0.000 1.121 54 D CA 0.046 53.929 54.000 -0.196 0.000 0.853 54 D CB 1.293 42.021 40.800 -0.119 0.000 1.043 54 D HN 0.228 nan 8.370 nan 0.000 0.500 55 E N 2.465 122.688 120.200 0.039 0.000 2.160 55 E HA -0.186 4.162 4.350 -0.003 0.000 0.195 55 E C 1.838 178.487 176.600 0.082 0.000 0.991 55 E CA 0.919 57.358 56.400 0.066 0.000 0.810 55 E CB 0.127 29.869 29.700 0.070 0.000 0.742 55 E HN 0.458 nan 8.360 nan 0.000 0.466 56 R N 0.056 120.621 120.500 0.107 0.000 2.091 56 R HA -0.128 4.210 4.340 -0.003 0.000 0.238 56 R C 2.289 178.696 176.300 0.177 0.000 1.136 56 R CA 1.714 57.894 56.100 0.133 0.000 0.959 56 R CB -0.530 29.877 30.300 0.178 0.000 0.856 56 R HN 0.287 nan 8.270 nan 0.000 0.437 57 G N 1.180 110.080 108.800 0.168 0.000 2.402 57 G HA2 -0.266 3.693 3.960 -0.003 0.000 0.216 57 G HA3 -0.266 3.693 3.960 -0.003 0.000 0.216 57 G C 1.352 176.281 174.900 0.048 0.000 1.162 57 G CA 0.639 45.802 45.100 0.105 0.000 0.777 57 G HN 0.323 nan 8.290 nan 0.000 0.539 58 L N 1.451 122.749 121.223 0.125 0.000 2.081 58 L HA 0.040 4.379 4.340 -0.003 0.000 0.212 58 L C 2.801 179.662 176.870 -0.015 0.000 1.080 58 L CA 2.319 57.193 54.840 0.057 0.000 0.754 58 L CB -0.702 41.409 42.059 0.088 0.000 0.893 58 L HN 0.186 nan 8.230 nan 0.000 0.433 59 G N -2.146 106.634 108.800 -0.035 0.000 2.404 59 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.215 59 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.215 59 G C 1.304 176.095 174.900 -0.181 0.000 1.174 59 G CA 1.034 46.058 45.100 -0.128 0.000 0.780 59 G HN 0.578 nan 8.290 nan 0.000 0.537 60 H N -0.716 118.303 119.070 -0.085 0.000 2.423 60 H HA 0.035 4.590 4.556 -0.003 0.000 0.297 60 H C 2.310 177.543 175.328 -0.158 0.000 1.075 60 H CA 0.947 56.928 56.048 -0.111 0.000 1.342 60 H CB 0.027 29.720 29.762 -0.116 0.000 1.395 60 H HN 0.289 nan 8.280 nan 0.000 0.530 61 L N 0.649 121.827 121.223 -0.076 0.000 2.012 61 L HA -0.150 4.188 4.340 -0.003 0.000 0.210 61 L C 2.351 179.099 176.870 -0.203 0.000 1.073 61 L CA 1.850 56.579 54.840 -0.186 0.000 0.748 61 L CB -0.877 41.051 42.059 -0.219 0.000 0.891 61 L HN 0.246 nan 8.230 nan 0.000 0.431 62 A N -0.579 122.152 122.820 -0.149 0.000 1.877 62 A HA -0.218 4.100 4.320 -0.003 0.000 0.216 62 A C 2.284 179.795 177.584 -0.122 0.000 1.186 62 A CA 1.920 53.878 52.037 -0.131 0.000 0.620 62 A CB -1.145 17.808 19.000 -0.079 0.000 0.822 62 A HN 0.509 nan 8.150 nan 0.000 0.443 63 L N 0.196 121.357 121.223 -0.104 0.000 2.013 63 L HA -0.146 4.192 4.340 -0.003 0.000 0.212 63 L C 2.437 179.261 176.870 -0.076 0.000 1.073 63 L CA 2.545 57.342 54.840 -0.072 0.000 0.753 63 L CB -0.978 41.052 42.059 -0.047 0.000 0.890 63 L HN 0.337 nan 8.230 nan 0.000 0.432 64 G N -0.626 108.107 108.800 -0.112 0.000 2.446 64 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.217 64 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.217 64 G C 1.576 176.345 174.900 -0.218 0.000 1.168 64 G CA 1.238 46.239 45.100 -0.165 0.000 0.771 64 G HN 0.454 nan 8.290 nan 0.000 0.551 65 L N 0.644 121.711 121.223 -0.260 0.000 2.056 65 L HA -0.002 4.336 4.340 -0.003 0.000 0.207 65 L C 3.432 180.191 176.870 -0.184 0.000 1.078 65 L CA 0.988 55.635 54.840 -0.322 0.000 0.749 65 L CB -0.471 41.288 42.059 -0.500 0.000 0.901 65 L HN 0.291 nan 8.230 nan 0.000 0.433 66 A N 0.100 122.851 122.820 -0.115 0.000 1.883 66 A HA -0.285 4.034 4.320 -0.003 0.000 0.217 66 A C 2.395 179.958 177.584 -0.034 0.000 1.186 66 A CA 2.121 54.131 52.037 -0.044 0.000 0.624 66 A CB -0.555 18.427 19.000 -0.029 0.000 0.822 66 A HN 0.317 nan 8.150 nan 0.000 0.444 67 K N -0.640 119.734 120.400 -0.045 0.000 2.034 67 K HA -0.165 4.154 4.320 -0.003 0.000 0.214 67 K C 1.870 178.463 176.600 -0.011 0.000 1.051 67 K CA 2.072 58.358 56.287 -0.003 0.000 0.931 67 K CB -0.307 32.194 32.500 0.002 0.000 0.715 67 K HN 0.271 nan 8.250 nan 0.000 0.446 68 V N 0.470 120.290 119.914 -0.156 0.000 2.407 68 V HA -0.153 3.965 4.120 -0.003 0.000 0.245 68 V C 2.219 178.297 176.094 -0.028 0.000 1.041 68 V CA 1.955 64.148 62.300 -0.178 0.000 1.040 68 V CB 0.137 31.739 31.823 -0.368 0.000 0.671 68 V HN 0.544 nan 8.190 nan 0.000 0.455 69 S N -0.950 114.732 115.700 -0.030 0.000 2.527 69 S HA -0.054 4.414 4.470 -0.003 0.000 0.222 69 S C 1.003 175.625 174.600 0.037 0.000 0.985 69 S CA 0.127 58.342 58.200 0.025 0.000 0.921 69 S CB -0.258 62.984 63.200 0.071 0.000 0.772 69 S HN 0.592 nan 8.310 nan 0.000 0.529 70 K N 0.586 121.002 120.400 0.028 0.000 3.012 70 K HA -0.146 4.172 4.320 -0.003 0.000 0.259 70 K C -0.695 175.921 176.600 0.026 0.000 0.989 70 K CA 0.795 57.097 56.287 0.025 0.000 0.728 70 K CB -1.689 30.826 32.500 0.025 0.000 1.260 70 K HN 0.544 nan 8.250 nan 0.000 0.480 71 Q N -0.272 119.553 119.800 0.042 0.000 2.399 71 Q HA 0.441 4.779 4.340 -0.003 0.000 0.276 71 Q C -2.458 173.579 176.000 0.061 0.000 1.098 71 Q CA -2.148 53.688 55.803 0.055 0.000 0.827 71 Q CB 1.909 30.692 28.738 0.077 0.000 1.386 71 Q HN -0.046 nan 8.270 nan 0.000 0.443 72 P HA 0.140 nan 4.420 nan 0.000 0.271 72 P C -0.601 176.757 177.300 0.097 0.000 1.216 72 P CA -0.103 63.036 63.100 0.065 0.000 0.771 72 P CB 0.732 32.470 31.700 0.063 0.000 0.864 73 V N 2.954 122.916 119.914 0.080 0.000 2.459 73 V HA 0.570 4.688 4.120 -0.003 0.000 0.295 73 V C 0.483 176.621 176.094 0.074 0.000 1.029 73 V CA -0.785 61.576 62.300 0.101 0.000 0.874 73 V CB 1.528 33.384 31.823 0.055 0.000 0.985 73 V HN 0.727 nan 8.190 nan 0.000 0.438 74 A N 4.717 127.587 122.820 0.085 0.000 2.303 74 A HA 0.868 5.186 4.320 -0.003 0.000 0.317 74 A C -0.660 176.939 177.584 0.024 0.000 1.149 74 A CA -0.442 51.622 52.037 0.044 0.000 0.822 74 A CB 1.233 20.243 19.000 0.017 0.000 1.131 74 A HN 0.690 nan 8.150 nan 0.000 0.493 75 V N 2.276 122.205 119.914 0.025 0.000 2.735 75 V HA 0.526 4.644 4.120 -0.003 0.000 0.310 75 V C -0.611 175.510 176.094 0.045 0.000 1.061 75 V CA -0.258 62.059 62.300 0.028 0.000 0.913 75 V CB 1.789 33.622 31.823 0.015 0.000 1.005 75 V HN 0.762 nan 8.190 nan 0.000 0.428 76 I N 4.358 124.958 120.570 0.050 0.000 2.478 76 I HA 0.674 4.842 4.170 -0.003 0.000 0.287 76 I C -0.757 175.406 176.117 0.076 0.000 1.042 76 I CA -0.734 60.607 61.300 0.068 0.000 1.067 76 I CB 2.074 40.104 38.000 0.050 0.000 1.233 76 I HN 0.550 nan 8.210 nan 0.000 0.431 77 V N 1.518 121.489 119.914 0.094 0.000 3.078 77 V HA 0.631 4.750 4.120 -0.003 0.000 0.311 77 V C -0.247 175.907 176.094 0.101 0.000 1.138 77 V CA -0.538 61.816 62.300 0.090 0.000 1.007 77 V CB 1.701 33.576 31.823 0.087 0.000 1.045 77 V HN 0.654 nan 8.190 nan 0.000 0.432 78 T N 1.621 116.228 114.554 0.089 0.000 2.754 78 T HA 0.437 4.785 4.350 -0.003 0.000 0.286 78 T C 0.667 175.420 174.700 0.087 0.000 0.997 78 T CA 0.499 62.654 62.100 0.091 0.000 0.982 78 T CB 0.854 69.768 68.868 0.077 0.000 1.027 78 T HN 1.766 nan 8.240 nan 0.000 0.529 79 S N 0.671 116.421 115.700 0.083 0.000 2.584 79 S HA 0.574 5.042 4.470 -0.003 0.000 0.270 79 S C 0.835 175.465 174.600 0.049 0.000 1.346 79 S CA 0.093 58.332 58.200 0.066 0.000 1.018 79 S CB -0.039 63.197 63.200 0.060 0.000 0.899 79 S HN 1.712 nan 8.310 nan 0.000 0.542 80 G N 1.071 109.889 108.800 0.031 0.000 2.451 80 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.208 80 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.208 80 G C 0.642 175.554 174.900 0.020 0.000 1.248 80 G CA 0.677 45.790 45.100 0.022 0.000 0.989 80 G HN 1.881 nan 8.290 nan 0.000 0.559 81 T N -0.762 113.809 114.554 0.028 0.000 2.897 81 T HA 0.200 4.548 4.350 -0.003 0.000 0.271 81 T C 2.576 177.308 174.700 0.055 0.000 1.084 81 T CA 2.581 64.704 62.100 0.037 0.000 1.123 81 T CB -0.501 68.393 68.868 0.045 0.000 0.865 81 T HN 2.083 nan 8.240 nan 0.000 0.496 82 A N 1.426 124.280 122.820 0.057 0.000 1.917 82 A HA -0.035 4.283 4.320 -0.003 0.000 0.219 82 A C 2.620 180.251 177.584 0.078 0.000 1.182 82 A CA 1.958 54.036 52.037 0.069 0.000 0.633 82 A CB -1.164 17.877 19.000 0.068 0.000 0.819 82 A HN 0.470 nan 8.150 nan 0.000 0.448 83 V N -0.275 119.679 119.914 0.066 0.000 2.307 83 V HA -0.211 3.908 4.120 -0.003 0.000 0.245 83 V C 3.035 179.202 176.094 0.120 0.000 1.045 83 V CA 1.811 64.160 62.300 0.083 0.000 1.024 83 V CB -1.468 30.361 31.823 0.010 0.000 0.651 83 V HN 0.619 nan 8.190 nan 0.000 0.449 84 A N 0.369 123.219 122.820 0.049 0.000 1.948 84 A HA -0.291 4.027 4.320 -0.003 0.000 0.220 84 A C 2.075 179.770 177.584 0.186 0.000 1.177 84 A CA 2.164 54.252 52.037 0.085 0.000 0.636 84 A CB -0.849 18.182 19.000 0.052 0.000 0.815 84 A HN 0.632 nan 8.150 nan 0.000 0.449 85 N N -0.214 118.571 118.700 0.142 0.000 2.443 85 N HA -0.074 4.664 4.740 -0.003 0.000 0.184 85 N C 1.393 176.969 175.510 0.110 0.000 1.037 85 N CA 1.111 54.242 53.050 0.134 0.000 0.896 85 N CB -0.213 38.341 38.487 0.111 0.000 0.959 85 N HN 0.550 nan 8.380 nan 0.000 0.442 86 L N -0.344 120.940 121.223 0.101 0.000 2.478 86 L HA -0.090 4.249 4.340 -0.003 0.000 0.223 86 L C 2.100 178.936 176.870 -0.056 0.000 1.140 86 L CA 0.239 55.066 54.840 -0.022 0.000 0.842 86 L CB -0.448 41.570 42.059 -0.069 0.000 0.953 86 L HN 0.093 nan 8.230 nan 0.000 0.452 87 Y N 1.731 122.006 120.300 -0.042 0.000 2.114 87 Y HA -0.185 4.364 4.550 -0.003 0.000 0.282 87 Y C -0.078 175.722 175.900 -0.168 0.000 1.165 87 Y CA 1.206 59.259 58.100 -0.079 0.000 1.148 87 Y CB -1.695 36.831 38.460 0.109 0.000 0.972 87 Y HN 0.158 nan 8.280 nan 0.000 0.504 88 P HA -0.169 nan 4.420 nan 0.000 0.214 88 P C 1.627 178.804 177.300 -0.205 0.000 1.163 88 P CA 2.628 65.671 63.100 -0.094 0.000 0.883 88 P CB -0.304 31.417 31.700 0.035 0.000 0.788 89 A N -0.759 121.817 122.820 -0.407 0.000 1.940 89 A HA -0.193 4.126 4.320 -0.003 0.000 0.219 89 A C 2.158 179.594 177.584 -0.246 0.000 1.176 89 A CA 1.538 53.290 52.037 -0.475 0.000 0.631 89 A CB -1.704 16.956 19.000 -0.568 0.000 0.814 89 A HN 0.152 nan 8.150 nan 0.000 0.446 90 L N -0.175 120.909 121.223 -0.233 0.000 2.046 90 L HA -0.095 4.243 4.340 -0.003 0.000 0.208 90 L C 2.215 179.015 176.870 -0.117 0.000 1.077 90 L CA 1.723 56.438 54.840 -0.209 0.000 0.747 90 L CB -0.448 41.383 42.059 -0.380 0.000 0.896 90 L HN 0.429 nan 8.230 nan 0.000 0.432 91 I N -0.602 119.884 120.570 -0.141 0.000 2.179 91 I HA -0.268 3.900 4.170 -0.003 0.000 0.242 91 I C 2.488 178.572 176.117 -0.055 0.000 1.088 91 I CA 1.388 62.605 61.300 -0.138 0.000 1.357 91 I CB -0.252 37.553 38.000 -0.325 0.000 1.051 91 I HN 0.323 nan 8.210 nan 0.000 0.409 92 E N 1.328 121.491 120.200 -0.063 0.000 2.058 92 E HA -0.238 4.111 4.350 -0.003 0.000 0.194 92 E C 2.144 178.738 176.600 -0.010 0.000 0.997 92 E CA 1.793 58.182 56.400 -0.019 0.000 0.801 92 E CB -0.252 29.453 29.700 0.007 0.000 0.746 92 E HN 0.414 nan 8.360 nan 0.000 0.450 93 A N 0.288 123.089 122.820 -0.033 0.000 1.917 93 A HA -0.149 4.169 4.320 -0.003 0.000 0.219 93 A C 2.517 180.102 177.584 0.002 0.000 1.182 93 A CA 2.101 54.126 52.037 -0.022 0.000 0.633 93 A CB -1.572 17.399 19.000 -0.048 0.000 0.819 93 A HN 0.445 nan 8.150 nan 0.000 0.448 94 G N -0.473 108.336 108.800 0.014 0.000 2.469 94 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.220 94 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.220 94 G C 1.495 176.420 174.900 0.041 0.000 1.136 94 G CA 1.233 46.360 45.100 0.046 0.000 0.759 94 G HN 0.472 nan 8.290 nan 0.000 0.562 95 L N 0.412 121.656 121.223 0.035 0.000 2.354 95 L HA 0.129 4.467 4.340 -0.003 0.000 0.212 95 L C 2.849 179.733 176.870 0.023 0.000 1.091 95 L CA 1.423 56.281 54.840 0.030 0.000 0.828 95 L CB 0.091 42.167 42.059 0.028 0.000 0.973 95 L HN 0.388 nan 8.230 nan 0.000 0.461 96 T N -5.337 109.229 114.554 0.021 0.000 2.971 96 T HA 0.378 4.727 4.350 -0.003 0.000 0.252 96 T C 1.371 176.083 174.700 0.019 0.000 1.022 96 T CA 0.566 62.678 62.100 0.020 0.000 0.980 96 T CB 1.150 70.033 68.868 0.025 0.000 1.044 96 T HN 0.326 nan 8.240 nan 0.000 0.501 97 G N 1.038 109.848 108.800 0.016 0.000 2.380 97 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.197 97 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.197 97 G C -0.224 174.675 174.900 -0.001 0.000 1.001 97 G CA -0.304 44.801 45.100 0.008 0.000 0.668 97 G HN 0.557 nan 8.290 nan 0.000 0.483 98 E N 1.457 121.658 120.200 0.002 0.000 2.653 98 E HA 0.284 4.632 4.350 -0.003 0.000 0.264 98 E C 0.378 176.974 176.600 -0.007 0.000 0.949 98 E CA 0.766 57.164 56.400 -0.003 0.000 0.953 98 E CB 0.343 30.039 29.700 -0.008 0.000 0.925 98 E HN 0.398 nan 8.360 nan 0.000 0.475 99 K N 3.362 123.760 120.400 -0.003 0.000 2.184 99 K HA 0.216 4.534 4.320 -0.003 0.000 0.259 99 K C -0.608 175.996 176.600 0.007 0.000 1.119 99 K CA -0.112 56.177 56.287 0.004 0.000 0.991 99 K CB 0.200 32.706 32.500 0.009 0.000 1.522 99 K HN 0.312 nan 8.250 nan 0.000 0.405 100 L N 4.761 125.981 121.223 -0.006 0.000 2.265 100 L HA 0.351 4.689 4.340 -0.003 0.000 0.289 100 L C -0.136 176.737 176.870 0.005 0.000 1.033 100 L CA -0.801 54.031 54.840 -0.014 0.000 0.814 100 L CB 0.802 42.829 42.059 -0.054 0.000 1.203 100 L HN 0.359 nan 8.230 nan 0.000 0.423 101 I N 5.746 126.332 120.570 0.027 0.000 2.287 101 I HA 0.210 4.378 4.170 -0.003 0.000 0.290 101 I C 0.050 176.204 176.117 0.062 0.000 1.069 101 I CA -0.215 61.115 61.300 0.050 0.000 1.237 101 I CB 0.697 38.732 38.000 0.058 0.000 1.418 101 I HN 0.490 nan 8.210 nan 0.000 0.481 102 L N 7.139 128.414 121.223 0.087 0.000 2.302 102 L HA 0.353 4.692 4.340 -0.003 0.000 0.285 102 L C 0.042 177.036 176.870 0.207 0.000 1.090 102 L CA -0.310 54.599 54.840 0.114 0.000 0.866 102 L CB 0.171 42.266 42.059 0.059 0.000 1.244 102 L HN 0.384 nan 8.230 nan 0.000 0.435 103 L N 3.916 125.233 121.223 0.157 0.000 2.302 103 L HA 0.275 4.614 4.340 -0.003 0.000 0.285 103 L C 0.593 177.580 176.870 0.194 0.000 1.090 103 L CA -0.245 54.699 54.840 0.174 0.000 0.866 103 L CB 0.266 42.409 42.059 0.139 0.000 1.244 103 L HN 0.552 nan 8.230 nan 0.000 0.435 104 T N 0.188 114.889 114.554 0.245 0.000 2.772 104 T HA 0.693 5.041 4.350 -0.003 0.000 0.288 104 T C 0.262 175.083 174.700 0.201 0.000 0.994 104 T CA -0.744 61.494 62.100 0.230 0.000 0.951 104 T CB 1.634 70.676 68.868 0.290 0.000 0.933 104 T HN 0.531 nan 8.240 nan 0.000 0.447 105 A N 3.161 126.098 122.820 0.196 0.000 2.483 105 A HA 0.514 4.833 4.320 -0.003 0.000 0.238 105 A C 0.231 177.898 177.584 0.138 0.000 1.070 105 A CA -0.223 51.945 52.037 0.219 0.000 0.770 105 A CB 0.040 19.179 19.000 0.233 0.000 1.008 105 A HN 0.933 nan 8.150 nan 0.000 0.497 106 D N -0.517 119.943 120.400 0.100 0.000 2.596 106 D HA 0.431 5.069 4.640 -0.003 0.000 0.234 106 D C -0.224 176.102 176.300 0.044 0.000 1.181 106 D CA -0.591 53.438 54.000 0.048 0.000 0.856 106 D CB 1.144 41.947 40.800 0.004 0.000 1.498 106 D HN 0.483 nan 8.370 nan 0.000 0.446 107 R N 1.520 122.038 120.500 0.030 0.000 2.726 107 R HA 0.404 4.743 4.340 -0.003 0.000 0.272 107 R C -2.067 174.223 176.300 -0.016 0.000 1.097 107 R CA -1.391 54.721 56.100 0.021 0.000 1.198 107 R CB -1.033 29.277 30.300 0.016 0.000 1.114 107 R HN 0.357 nan 8.270 nan 0.000 0.550 108 P HA 0.128 nan 4.420 nan 0.000 0.274 108 P C -1.934 175.339 177.300 -0.045 0.000 1.246 108 P CA -1.483 61.584 63.100 -0.055 0.000 0.795 108 P CB 0.117 31.785 31.700 -0.054 0.000 1.006 109 P HA -0.238 nan 4.420 nan 0.000 0.217 109 P C 1.128 178.408 177.300 -0.032 0.000 1.162 109 P CA 1.908 64.983 63.100 -0.042 0.000 0.901 109 P CB -0.303 31.368 31.700 -0.048 0.000 0.793 110 E N -0.470 119.710 120.200 -0.034 0.000 2.267 110 E HA -0.117 4.231 4.350 -0.003 0.000 0.197 110 E C 1.662 178.250 176.600 -0.019 0.000 0.998 110 E CA 0.753 57.137 56.400 -0.026 0.000 0.830 110 E CB -1.070 28.613 29.700 -0.028 0.000 0.751 110 E HN 0.323 nan 8.360 nan 0.000 0.491 111 L N 0.834 122.047 121.223 -0.017 0.000 2.653 111 L HA 0.172 4.511 4.340 -0.003 0.000 0.231 111 L C -0.128 176.737 176.870 -0.009 0.000 1.153 111 L CA -0.391 54.444 54.840 -0.010 0.000 0.933 111 L CB 0.131 42.187 42.059 -0.004 0.000 1.175 111 L HN 0.086 nan 8.230 nan 0.000 0.473 112 I N -0.061 120.501 120.570 -0.013 0.000 2.385 112 I HA 0.206 4.374 4.170 -0.003 0.000 0.294 112 I C 0.154 176.265 176.117 -0.010 0.000 0.988 112 I CA -0.189 61.104 61.300 -0.012 0.000 1.265 112 I CB 1.098 39.088 38.000 -0.015 0.000 1.388 112 I HN 0.087 nan 8.210 nan 0.000 0.480 113 D N 4.136 124.531 120.400 -0.008 0.000 2.716 113 D HA -0.170 4.468 4.640 -0.003 0.000 0.239 113 D C 0.309 176.605 176.300 -0.006 0.000 1.125 113 D CA 0.924 54.920 54.000 -0.007 0.000 0.681 113 D CB -1.018 39.777 40.800 -0.008 0.000 1.070 113 D HN 0.887 nan 8.370 nan 0.000 0.432 114 C N -3.249 116.048 119.300 -0.004 0.000 3.607 114 C HA 0.679 5.137 4.460 -0.003 0.000 0.304 114 C C 1.709 176.698 174.990 -0.002 0.000 2.634 114 C CA 0.467 59.483 59.018 -0.004 0.000 1.594 114 C CB 0.210 27.947 27.740 -0.006 0.000 3.304 114 C HN 0.838 nan 8.230 nan 0.000 0.392 115 G N 1.370 110.169 108.800 -0.001 0.000 2.234 115 G HA2 0.070 4.028 3.960 -0.003 0.000 0.260 115 G HA3 0.070 4.028 3.960 -0.003 0.000 0.260 115 G C 0.609 175.511 174.900 0.003 0.000 0.987 115 G CA 0.312 45.412 45.100 0.001 0.000 0.625 115 G HN 2.165 nan 8.290 nan 0.000 0.532 116 A N 0.289 123.111 122.820 0.003 0.000 2.609 116 A HA 0.357 4.675 4.320 -0.003 0.000 0.232 116 A C 0.805 178.394 177.584 0.009 0.000 1.041 116 A CA 0.863 52.904 52.037 0.006 0.000 0.753 116 A CB 0.089 19.092 19.000 0.005 0.000 0.966 116 A HN 0.753 nan 8.150 nan 0.000 0.510 117 N N 1.528 120.235 118.700 0.012 0.000 2.508 117 N HA 0.039 4.777 4.740 -0.003 0.000 0.264 117 N C 0.459 175.980 175.510 0.019 0.000 1.216 117 N CA 0.673 53.732 53.050 0.015 0.000 0.943 117 N CB 0.416 38.913 38.487 0.016 0.000 1.113 117 N HN 0.789 nan 8.380 nan 0.000 0.447 118 Q N -0.266 119.546 119.800 0.019 0.000 2.368 118 Q HA -0.229 4.110 4.340 -0.003 0.000 0.352 118 Q C -1.277 174.735 176.000 0.020 0.000 1.301 118 Q CA 0.874 56.690 55.803 0.022 0.000 1.059 118 Q CB -1.757 26.998 28.738 0.029 0.000 1.281 118 Q HN 0.477 nan 8.270 nan 0.000 0.406 119 A N 1.643 124.471 122.820 0.013 0.000 2.319 119 A HA 0.823 5.142 4.320 -0.003 0.000 0.310 119 A C -0.079 177.506 177.584 0.001 0.000 1.152 119 A CA -0.597 51.446 52.037 0.009 0.000 0.783 119 A CB 0.958 19.962 19.000 0.007 0.000 1.184 119 A HN 0.754 nan 8.150 nan 0.000 0.474 120 I N -1.344 119.223 120.570 -0.004 0.000 3.095 120 I HA 0.590 4.758 4.170 -0.003 0.000 0.310 120 I C -0.439 175.664 176.117 -0.023 0.000 1.196 120 I CA -1.315 59.976 61.300 -0.014 0.000 0.985 120 I CB 1.990 39.978 38.000 -0.020 0.000 1.250 120 I HN 0.541 nan 8.210 nan 0.000 0.446 121 R N 2.735 123.217 120.500 -0.029 0.000 2.457 121 R HA 0.102 4.441 4.340 -0.003 0.000 0.335 121 R C 0.228 176.494 176.300 -0.057 0.000 1.003 121 R CA 0.278 56.357 56.100 -0.035 0.000 1.003 121 R CB 0.458 30.740 30.300 -0.030 0.000 0.950 121 R HN 0.698 nan 8.270 nan 0.000 0.428 122 Q N 2.166 121.938 119.800 -0.047 0.000 2.387 122 Q HA 0.097 4.435 4.340 -0.003 0.000 0.212 122 Q C -1.531 174.459 176.000 -0.018 0.000 0.925 122 Q CA -0.169 55.601 55.803 -0.055 0.000 0.901 122 Q CB -0.141 28.592 28.738 -0.008 0.000 1.020 122 Q HN 0.420 nan 8.270 nan 0.000 0.545 123 P HA 0.012 nan 4.420 nan 0.000 0.256 123 P C -0.106 177.192 177.300 -0.003 0.000 1.173 123 P CA 1.484 64.575 63.100 -0.014 0.000 0.768 123 P CB 0.262 31.950 31.700 -0.021 0.000 0.758 127 A N 1.291 124.272 122.820 0.268 0.000 5.324 127 A HA -0.451 3.867 4.320 -0.003 0.000 0.337 127 A C 1.821 179.519 177.584 0.190 0.000 1.730 127 A CA 2.662 54.831 52.037 0.221 0.000 0.711 127 A CB -1.950 17.196 19.000 0.242 0.000 1.434 127 A HN 1.052 nan 8.150 nan 0.000 0.400 128 S N -1.110 114.636 115.700 0.076 0.000 2.603 128 S HA 0.053 4.521 4.470 -0.003 0.000 0.220 128 S C 1.308 175.857 174.600 -0.086 0.000 0.967 128 S CA 1.033 59.202 58.200 -0.052 0.000 0.920 128 S CB -0.534 62.575 63.200 -0.152 0.000 0.773 128 S HN 0.711 nan 8.310 nan 0.000 0.529 129 H N 1.875 121.049 119.070 0.173 0.000 2.470 129 H HA 0.223 4.777 4.556 -0.003 0.000 0.289 129 H C -1.668 173.709 175.328 0.081 0.000 1.033 129 H CA 0.089 56.220 56.048 0.139 0.000 1.331 129 H CB -1.279 28.614 29.762 0.219 0.000 1.414 129 H HN 0.449 nan 8.280 nan 0.000 0.545 130 P HA 0.091 nan 4.420 nan 0.000 0.276 130 P C 0.826 178.149 177.300 0.038 0.000 1.244 130 P CA 0.087 63.254 63.100 0.111 0.000 0.801 130 P CB 1.080 32.888 31.700 0.179 0.000 1.006 131 T N -1.152 113.389 114.554 -0.021 0.000 2.809 131 T HA -0.023 4.325 4.350 -0.003 0.000 0.260 131 T C 0.414 174.893 174.700 -0.369 0.000 1.039 131 T CA 1.381 63.370 62.100 -0.184 0.000 1.141 131 T CB -0.384 68.368 68.868 -0.192 0.000 0.869 131 T HN 0.429 nan 8.240 nan 0.000 0.437 132 H N 0.186 119.290 119.070 0.057 0.000 2.637 132 H HA 0.549 5.104 4.556 -0.002 0.000 0.363 132 H C -0.960 174.424 175.328 0.092 0.000 1.131 132 H CA -0.548 55.538 56.048 0.063 0.000 1.183 132 H CB 1.799 31.581 29.762 0.034 0.000 1.637 132 H HN 0.006 nan 8.280 nan 0.000 0.531 133 S N 3.421 119.247 115.700 0.209 0.000 2.622 133 S HA 0.347 4.816 4.470 -0.003 0.000 0.283 133 S C 0.473 175.115 174.600 0.071 0.000 1.197 133 S CA -0.621 57.668 58.200 0.148 0.000 1.146 133 S CB 0.072 63.367 63.200 0.158 0.000 1.007 133 S HN 0.353 nan 8.310 nan 0.000 0.478 134 I N 2.087 122.674 120.570 0.027 0.000 2.474 134 I HA 0.280 4.448 4.170 -0.003 0.000 0.287 134 I C 0.628 176.709 176.117 -0.060 0.000 1.048 134 I CA -0.114 61.186 61.300 0.000 0.000 1.383 134 I CB 1.301 39.292 38.000 -0.014 0.000 1.412 134 I HN 0.429 nan 8.210 nan 0.000 0.531 135 S N 7.289 122.990 115.700 0.002 0.000 2.269 135 S HA 0.469 4.937 4.470 -0.003 0.000 0.194 135 S C -0.284 174.365 174.600 0.083 0.000 1.547 135 S CA -0.680 57.514 58.200 -0.011 0.000 1.186 135 S CB -0.098 63.097 63.200 -0.008 0.000 1.069 135 S HN 0.386 nan 8.310 nan 0.000 0.473 136 L N 5.262 126.552 121.223 0.111 0.000 2.485 136 L HA 0.272 4.610 4.340 -0.003 0.000 0.275 136 L C -1.511 175.473 176.870 0.190 0.000 1.207 136 L CA -1.343 53.651 54.840 0.257 0.000 0.855 136 L CB -0.048 42.197 42.059 0.309 0.000 1.114 136 L HN 0.393 nan 8.230 nan 0.000 0.485 137 P HA 0.048 nan 4.420 nan 0.000 0.274 137 P C -0.607 176.666 177.300 -0.045 0.000 1.260 137 P CA -0.640 62.503 63.100 0.071 0.000 0.793 137 P CB 0.470 32.189 31.700 0.032 0.000 1.048 138 R N 0.924 121.344 120.500 -0.132 0.000 2.522 138 R HA 0.119 4.458 4.340 -0.003 0.000 0.284 138 R C -1.918 174.131 176.300 -0.419 0.000 1.032 138 R CA -1.098 54.855 56.100 -0.245 0.000 1.049 138 R CB -0.627 29.567 30.300 -0.176 0.000 0.956 138 R HN 0.341 nan 8.270 nan 0.000 0.422 139 P HA 0.026 nan 4.420 nan 0.000 0.267 139 P C -0.909 176.054 177.300 -0.561 0.000 1.209 139 P CA 0.188 62.444 63.100 -1.407 0.000 0.763 139 P CB 1.333 32.176 31.700 -1.428 0.000 0.816 140 T N 1.463 115.823 114.554 -0.323 0.000 2.894 140 T HA 0.164 4.513 4.350 -0.003 0.000 0.309 140 T C 0.627 175.241 174.700 -0.143 0.000 1.208 140 T CA -0.498 61.476 62.100 -0.209 0.000 1.016 140 T CB 1.187 69.963 68.868 -0.154 0.000 1.192 140 T HN 0.267 nan 8.240 nan 0.000 0.491 141 Q N 0.831 120.273 119.800 -0.597 0.000 2.435 141 Q HA -0.017 4.321 4.340 -0.003 0.000 0.207 141 Q C 0.498 176.560 176.000 0.103 0.000 0.956 141 Q CA 0.761 56.312 55.803 -0.419 0.000 0.917 141 Q CB 0.173 28.585 28.738 -0.543 0.000 0.997 141 Q HN 0.595 nan 8.270 nan 0.000 0.497 142 D N 0.317 120.738 120.400 0.036 0.000 2.348 142 D HA 0.031 4.670 4.640 -0.003 0.000 0.216 142 D C 0.150 176.535 176.300 0.141 0.000 0.970 142 D CA 0.678 54.724 54.000 0.076 0.000 0.889 142 D CB 0.294 41.089 40.800 -0.007 0.000 0.912 142 D HN 0.210 nan 8.370 nan 0.000 0.524 143 I N 1.742 122.475 120.570 0.272 0.000 2.336 143 I HA 0.211 4.380 4.170 -0.003 0.000 0.292 143 I C -2.268 174.175 176.117 0.544 0.000 0.991 143 I CA -2.293 59.175 61.300 0.279 0.000 1.227 143 I CB 1.949 40.094 38.000 0.243 0.000 1.366 143 I HN -0.335 nan 8.210 nan 0.000 0.466 144 P HA 0.104 nan 4.420 nan 0.000 0.275 144 P C 0.313 177.534 177.300 -0.132 0.000 1.228 144 P CA -0.246 62.899 63.100 0.075 0.000 0.786 144 P CB 1.002 32.685 31.700 -0.028 0.000 0.927 145 A N 4.162 126.476 122.820 -0.844 0.000 1.978 145 A HA -0.249 4.070 4.320 -0.003 0.000 0.220 145 A C 2.000 179.116 177.584 -0.780 0.000 1.170 145 A CA 1.663 53.078 52.037 -1.036 0.000 0.636 145 A CB -0.994 17.088 19.000 -1.529 0.000 0.810 145 A HN 0.681 nan 8.150 nan 0.000 0.448 146 R N -1.934 118.095 120.500 -0.785 0.000 2.152 146 R HA -0.197 4.141 4.340 -0.003 0.000 0.232 146 R C 2.003 177.991 176.300 -0.520 0.000 1.117 146 R CA 1.553 57.073 56.100 -0.968 0.000 0.981 146 R CB -0.665 29.196 30.300 -0.733 0.000 0.870 146 R HN 0.675 nan 8.270 nan 0.000 0.451 147 W N 1.562 122.635 121.300 -0.378 0.000 2.408 147 W HA -0.103 4.555 4.660 -0.003 0.000 0.311 147 W C 1.877 178.245 176.519 -0.252 0.000 1.190 147 W CA 0.806 58.019 57.345 -0.220 0.000 1.321 147 W CB -0.318 29.082 29.460 -0.100 0.000 1.143 147 W HN 0.067 nan 8.180 nan 0.000 0.501 148 L N 0.609 121.686 121.223 -0.243 0.000 2.012 148 L HA -0.179 4.159 4.340 -0.003 0.000 0.210 148 L C 2.478 178.988 176.870 -0.599 0.000 1.073 148 L CA 2.204 56.726 54.840 -0.530 0.000 0.748 148 L CB -1.643 40.140 42.059 -0.461 0.000 0.891 148 L HN 0.064 nan 8.230 nan 0.000 0.431 149 V N -1.519 118.019 119.914 -0.627 0.000 2.490 149 V HA -0.245 3.873 4.120 -0.003 0.000 0.250 149 V C 2.456 178.295 176.094 -0.426 0.000 1.061 149 V CA 2.097 64.031 62.300 -0.611 0.000 1.064 149 V CB -0.036 31.164 31.823 -1.038 0.000 0.670 149 V HN 0.615 nan 8.190 nan 0.000 0.461 150 S N -0.531 114.900 115.700 -0.449 0.000 2.387 150 S HA -0.141 4.327 4.470 -0.003 0.000 0.226 150 S C 1.887 176.301 174.600 -0.310 0.000 1.026 150 S CA 1.675 59.727 58.200 -0.247 0.000 0.972 150 S CB -0.296 62.807 63.200 -0.162 0.000 0.814 150 S HN 0.769 nan 8.310 nan 0.000 0.477 151 T N 2.788 116.987 114.554 -0.592 0.000 2.652 151 T HA -0.042 4.306 4.350 -0.003 0.000 0.267 151 T C 1.749 176.268 174.700 -0.303 0.000 1.039 151 T CA 1.298 63.065 62.100 -0.555 0.000 1.153 151 T CB -0.467 67.829 68.868 -0.953 0.000 0.863 151 T HN 0.288 nan 8.240 nan 0.000 0.428 152 I N 1.316 121.707 120.570 -0.297 0.000 2.179 152 I HA -0.178 3.990 4.170 -0.003 0.000 0.242 152 I C 2.368 178.391 176.117 -0.157 0.000 1.088 152 I CA 1.262 62.452 61.300 -0.184 0.000 1.357 152 I CB -0.390 37.536 38.000 -0.123 0.000 1.051 152 I HN 0.097 nan 8.210 nan 0.000 0.409 153 D N -0.415 119.950 120.400 -0.058 0.000 2.182 153 D HA -0.251 4.387 4.640 -0.003 0.000 0.201 153 D C 1.949 178.213 176.300 -0.059 0.000 0.986 153 D CA 1.459 55.497 54.000 0.062 0.000 0.847 153 D CB -0.267 40.617 40.800 0.140 0.000 0.942 153 D HN 0.495 nan 8.370 nan 0.000 0.467 154 H N 0.361 119.326 119.070 -0.176 0.000 2.307 154 H HA 0.084 4.638 4.556 -0.003 0.000 0.303 154 H C 1.908 177.041 175.328 -0.325 0.000 1.073 154 H CA 2.136 58.064 56.048 -0.199 0.000 1.338 154 H CB -0.234 29.411 29.762 -0.195 0.000 1.389 154 H HN 0.008 nan 8.280 nan 0.000 0.503 155 A N 0.336 122.872 122.820 -0.473 0.000 1.917 155 A HA -0.155 4.164 4.320 -0.003 0.000 0.219 155 A C 2.337 179.606 177.584 -0.525 0.000 1.182 155 A CA 1.994 53.621 52.037 -0.682 0.000 0.633 155 A CB -0.858 17.946 19.000 -0.326 0.000 0.819 155 A HN 0.443 nan 8.150 nan 0.000 0.448 156 L N -0.945 120.004 121.223 -0.456 0.000 2.102 156 L HA 0.119 4.457 4.340 -0.003 0.000 0.202 156 L C 2.778 179.435 176.870 -0.355 0.000 1.076 156 L CA 1.585 56.143 54.840 -0.470 0.000 0.761 156 L CB -0.907 40.618 42.059 -0.891 0.000 0.921 156 L HN 0.377 nan 8.230 nan 0.000 0.444 157 G N -1.378 107.225 108.800 -0.329 0.000 2.450 157 G HA2 -0.263 3.696 3.960 -0.003 0.000 0.220 157 G HA3 -0.263 3.696 3.960 -0.003 0.000 0.220 157 G C 1.469 176.317 174.900 -0.087 0.000 1.130 157 G CA 1.399 46.445 45.100 -0.089 0.000 0.760 157 G HN 0.448 nan 8.290 nan 0.000 0.557 158 T N -1.879 112.563 114.554 -0.185 0.000 3.086 158 T HA 0.352 4.700 4.350 -0.003 0.000 0.250 158 T C 0.804 175.539 174.700 0.058 0.000 1.074 158 T CA -0.488 61.554 62.100 -0.096 0.000 0.988 158 T CB 0.139 68.868 68.868 -0.232 0.000 0.988 158 T HN 0.030 nan 8.240 nan 0.000 0.530 159 L N 2.785 124.028 121.223 0.034 0.000 2.433 159 L HA 0.326 4.664 4.340 -0.003 0.000 0.284 159 L C 1.261 178.184 176.870 0.087 0.000 1.120 159 L CA -0.079 54.828 54.840 0.111 0.000 0.879 159 L CB 0.040 42.137 42.059 0.064 0.000 1.232 159 L HN 0.297 nan 8.230 nan 0.000 0.454 160 H N 4.363 123.446 119.070 0.021 0.000 2.299 160 H HA 0.344 4.899 4.556 -0.003 0.000 0.302 160 H C 0.363 175.695 175.328 0.006 0.000 1.078 160 H CA 1.233 57.286 56.048 0.009 0.000 1.323 160 H CB 0.414 30.177 29.762 0.001 0.000 1.381 160 H HN 0.702 nan 8.280 nan 0.000 0.498 161 A N -1.764 121.091 122.820 0.058 0.000 2.586 161 A HA 0.586 4.904 4.320 -0.003 0.000 0.290 161 A C -0.109 177.492 177.584 0.029 0.000 1.086 161 A CA -0.191 51.848 52.037 0.003 0.000 0.665 161 A CB 0.607 19.614 19.000 0.012 0.000 1.279 161 A HN 1.045 nan 8.150 nan 0.000 0.423 162 G N -1.318 107.490 108.800 0.014 0.000 2.710 162 G HA2 0.482 4.441 3.960 -0.003 0.000 0.668 162 G HA3 0.482 4.441 3.960 -0.003 0.000 0.668 162 G C 0.404 175.312 174.900 0.012 0.000 1.320 162 G CA -0.011 45.097 45.100 0.013 0.000 0.860 162 G HN 2.271 nan 8.290 nan 0.000 0.538 163 G N -1.616 107.188 108.800 0.006 0.000 2.476 163 G HA2 0.704 4.662 3.960 -0.003 0.000 0.286 163 G HA3 0.704 4.662 3.960 -0.003 0.000 0.286 163 G C -0.333 174.597 174.900 0.049 0.000 1.177 163 G CA 0.193 45.296 45.100 0.004 0.000 0.870 163 G HN 1.481 nan 8.290 nan 0.000 0.528 164 V N 1.056 121.014 119.914 0.073 0.000 2.540 164 V HA 0.318 4.436 4.120 -0.003 0.000 0.302 164 V C -0.422 175.781 176.094 0.181 0.000 1.035 164 V CA -0.841 61.540 62.300 0.135 0.000 0.873 164 V CB 1.638 33.531 31.823 0.115 0.000 0.992 164 V HN 0.892 nan 8.190 nan 0.000 0.428 165 H N 5.374 124.513 119.070 0.114 0.000 2.556 165 H HA 0.577 5.131 4.556 -0.003 0.000 0.310 165 H C -1.073 174.338 175.328 0.138 0.000 1.057 165 H CA -0.838 55.306 56.048 0.159 0.000 1.264 165 H CB 1.077 31.018 29.762 0.299 0.000 1.404 165 H HN 0.576 nan 8.280 nan 0.000 0.462 166 I N 5.393 126.077 120.570 0.191 0.000 2.388 166 I HA 0.041 4.209 4.170 -0.003 0.000 0.281 166 I C -0.229 175.895 176.117 0.011 0.000 1.046 166 I CA -0.537 60.780 61.300 0.028 0.000 1.187 166 I CB 0.818 38.860 38.000 0.071 0.000 1.351 166 I HN 0.577 nan 8.210 nan 0.000 0.472 167 N N 5.284 123.866 118.700 -0.197 0.000 2.458 167 N HA 0.287 5.025 4.740 -0.003 0.000 0.270 167 N C -1.155 174.344 175.510 -0.019 0.000 1.102 167 N CA -0.104 52.897 53.050 -0.082 0.000 0.967 167 N CB 0.732 39.113 38.487 -0.177 0.000 1.078 167 N HN 0.497 nan 8.380 nan 0.000 0.471 168 C N 6.003 125.301 119.300 -0.003 0.000 2.521 168 C HA 0.428 4.886 4.460 -0.003 0.000 0.291 168 C C -2.361 172.404 174.990 -0.376 0.000 1.074 168 C CA -1.518 57.417 59.018 -0.138 0.000 1.495 168 C CB 0.368 28.103 27.740 -0.010 0.000 1.862 168 C HN 0.654 nan 8.230 nan 0.000 0.418 169 P HA 0.296 nan 4.420 nan 0.000 0.268 169 P C -0.823 176.015 177.300 -0.770 0.000 1.205 169 P CA 0.327 63.207 63.100 -0.367 0.000 0.771 169 P CB 0.256 31.811 31.700 -0.242 0.000 0.858 170 F N 0.891 120.801 119.950 -0.067 0.000 2.562 170 F HA 0.544 5.069 4.527 -0.003 0.000 0.319 170 F C 0.465 176.209 175.800 -0.093 0.000 1.154 170 F CA -1.003 56.932 58.000 -0.110 0.000 0.931 170 F CB 1.405 40.348 39.000 -0.094 0.000 1.198 170 F HN 0.219 nan 8.300 nan 0.000 0.444 171 A N 2.202 125.054 122.820 0.054 0.000 2.332 171 A HA 0.423 4.741 4.320 -0.003 0.000 0.258 171 A C 0.048 177.644 177.584 0.020 0.000 1.087 171 A CA -0.382 51.663 52.037 0.014 0.000 0.802 171 A CB 0.447 19.430 19.000 -0.028 0.000 1.042 171 A HN 0.780 nan 8.150 nan 0.000 0.489 172 E N 2.143 122.345 120.200 0.004 0.000 2.376 172 E HA 0.446 4.794 4.350 -0.003 0.000 0.236 172 E C -2.713 173.884 176.600 -0.006 0.000 0.962 172 E CA -1.522 54.874 56.400 -0.007 0.000 0.768 172 E CB 0.583 30.287 29.700 0.006 0.000 1.236 172 E HN 0.356 nan 8.360 nan 0.000 0.431 173 P HA 0.326 nan 4.420 nan 0.000 0.304 173 P C 0.151 177.403 177.300 -0.080 0.000 1.385 173 P CA -0.591 62.502 63.100 -0.012 0.000 0.896 173 P CB 1.554 33.256 31.700 0.004 0.000 0.958 174 L N 1.314 122.434 121.223 -0.172 0.000 2.513 174 L HA 0.191 4.529 4.340 -0.003 0.000 0.222 174 L C 0.070 176.562 176.870 -0.630 0.000 1.096 174 L CA 0.515 55.071 54.840 -0.473 0.000 0.857 174 L CB -0.112 41.517 42.059 -0.718 0.000 1.026 174 L HN 0.357 nan 8.230 nan 0.000 0.469 175 Y N -0.756 119.529 120.300 -0.025 0.000 2.587 175 Y HA 0.750 5.299 4.550 -0.003 0.000 0.337 175 Y C 0.715 176.607 175.900 -0.014 0.000 1.065 175 Y CA -0.442 57.645 58.100 -0.022 0.000 1.126 175 Y CB 1.839 40.289 38.460 -0.018 0.000 1.279 175 Y HN -0.084 nan 8.280 nan 0.000 0.489 176 G N 0.236 109.130 108.800 0.156 0.000 2.356 176 G HA2 0.170 4.129 3.960 -0.003 0.000 0.266 176 G HA3 0.170 4.129 3.960 -0.003 0.000 0.266 176 G C -1.649 173.288 174.900 0.061 0.000 1.312 176 G CA -0.921 44.229 45.100 0.083 0.000 0.922 176 G HN 0.422 nan 8.290 nan 0.000 0.480 180 D N 0.779 121.204 120.400 0.041 0.000 2.652 180 D HA 0.116 4.754 4.640 -0.003 0.000 0.247 180 D C -0.140 176.208 176.300 0.080 0.000 1.232 180 D CA -0.166 53.867 54.000 0.055 0.000 0.863 180 D CB -0.948 39.877 40.800 0.042 0.000 1.023 180 D HN 0.347 nan 8.370 nan 0.000 0.474 181 T N -0.166 114.438 114.554 0.084 0.000 2.934 181 T HA 0.365 4.713 4.350 -0.003 0.000 0.306 181 T C 1.684 176.506 174.700 0.204 0.000 1.042 181 T CA 0.477 62.642 62.100 0.109 0.000 1.145 181 T CB 0.892 69.817 68.868 0.096 0.000 0.982 181 T HN 0.531 nan 8.240 nan 0.000 0.544 182 G N 1.894 110.845 108.800 0.253 0.000 2.212 182 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.266 182 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.266 182 G C 0.836 175.998 174.900 0.436 0.000 0.978 182 G CA 0.283 45.656 45.100 0.456 0.000 0.632 182 G HN 0.657 nan 8.290 nan 0.000 0.537 183 L N 1.034 122.411 121.223 0.257 0.000 2.046 183 L HA 0.008 4.346 4.340 -0.003 0.000 0.208 183 L C 2.532 179.520 176.870 0.195 0.000 1.077 183 L CA 3.065 58.011 54.840 0.176 0.000 0.747 183 L CB -1.079 41.032 42.059 0.086 0.000 0.896 183 L HN 0.356 nan 8.230 nan 0.000 0.432 184 S N -0.804 115.019 115.700 0.205 0.000 2.359 184 S HA -0.280 4.188 4.470 -0.003 0.000 0.224 184 S C 1.586 176.347 174.600 0.269 0.000 1.035 184 S CA 1.919 60.236 58.200 0.194 0.000 1.018 184 S CB -0.547 62.755 63.200 0.169 0.000 0.876 184 S HN 0.698 nan 8.310 nan 0.000 0.448 185 W N 1.888 123.280 121.300 0.154 0.000 2.358 185 W HA -0.131 4.528 4.660 -0.003 0.000 0.303 185 W C 2.303 178.945 176.519 0.206 0.000 1.208 185 W CA 1.498 58.958 57.345 0.190 0.000 1.274 185 W CB -0.469 29.167 29.460 0.294 0.000 1.138 185 W HN 0.333 nan 8.180 nan 0.000 0.515 186 Q N -0.132 119.952 119.800 0.474 0.000 2.084 186 Q HA -0.282 4.057 4.340 -0.003 0.000 0.202 186 Q C 2.217 178.408 176.000 0.319 0.000 0.978 186 Q CA 1.832 57.848 55.803 0.354 0.000 0.844 186 Q CB -0.431 28.520 28.738 0.357 0.000 0.898 186 Q HN 0.476 nan 8.270 nan 0.000 0.426 187 Q N -0.065 119.855 119.800 0.199 0.000 2.437 187 Q HA -0.066 4.273 4.340 -0.003 0.000 0.210 187 Q C 1.432 177.527 176.000 0.159 0.000 0.972 187 Q CA 0.415 56.325 55.803 0.179 0.000 0.903 187 Q CB 0.148 28.949 28.738 0.105 0.000 0.967 187 Q HN 0.179 nan 8.270 nan 0.000 0.486 188 R N -0.150 120.389 120.500 0.064 0.000 2.357 188 R HA -0.017 4.321 4.340 -0.003 0.000 0.202 188 R C 1.194 177.483 176.300 -0.019 0.000 1.047 188 R CA 0.437 56.541 56.100 0.006 0.000 1.034 188 R CB 0.125 30.379 30.300 -0.077 0.000 0.875 188 R HN 0.261 nan 8.270 nan 0.000 0.473 189 L N -0.674 120.554 121.223 0.009 0.000 2.592 189 L HA 0.173 4.511 4.340 -0.003 0.000 0.227 189 L C 1.341 178.409 176.870 0.329 0.000 1.127 189 L CA 0.058 54.859 54.840 -0.065 0.000 0.884 189 L CB -0.224 41.602 42.059 -0.387 0.000 1.065 189 L HN 0.320 nan 8.230 nan 0.000 0.457 190 G N 2.161 111.162 108.800 0.336 0.000 2.594 190 G HA2 -0.434 3.524 3.960 -0.003 0.000 0.297 190 G HA3 -0.434 3.524 3.960 -0.003 0.000 0.297 190 G C 0.305 175.444 174.900 0.399 0.000 1.273 190 G CA 0.583 45.878 45.100 0.325 0.000 0.974 190 G HN 0.575 nan 8.290 nan 0.000 0.552 191 D N -0.386 120.193 120.400 0.298 0.000 2.324 191 D HA 0.114 4.752 4.640 -0.003 0.000 0.235 191 D C 1.445 177.891 176.300 0.244 0.000 1.095 191 D CA 0.885 55.032 54.000 0.245 0.000 0.871 191 D CB -0.446 40.439 40.800 0.143 0.000 0.906 191 D HN 0.610 nan 8.370 nan 0.000 0.522 192 W N 0.207 121.587 121.300 0.133 0.000 2.392 192 W HA -0.044 4.614 4.660 -0.003 0.000 0.279 192 W C 0.809 177.302 176.519 -0.043 0.000 1.225 192 W CA 0.466 57.837 57.345 0.044 0.000 1.233 192 W CB -0.311 29.226 29.460 0.128 0.000 1.122 192 W HN 0.019 nan 8.180 nan 0.000 0.561 193 W N 0.198 121.565 121.300 0.112 0.000 2.611 193 W HA -0.106 4.553 4.660 -0.003 0.000 0.251 193 W C 1.676 178.071 176.519 -0.207 0.000 1.265 193 W CA 0.884 58.164 57.345 -0.109 0.000 1.295 193 W CB -0.244 29.266 29.460 0.083 0.000 1.129 193 W HN -0.044 nan 8.180 nan 0.000 0.630 194 Q N -0.976 118.839 119.800 0.025 0.000 2.189 194 Q HA 0.066 4.405 4.340 -0.003 0.000 0.223 194 Q C 0.140 176.066 176.000 -0.123 0.000 0.828 194 Q CA 0.093 55.874 55.803 -0.035 0.000 0.967 194 Q CB 0.347 29.097 28.738 0.020 0.000 1.139 194 Q HN -0.063 nan 8.270 nan 0.000 0.497 195 D N 0.466 120.734 120.400 -0.220 0.000 2.387 195 D HA 0.029 4.667 4.640 -0.003 0.000 0.251 195 D C 0.173 176.294 176.300 -0.298 0.000 1.141 195 D CA -0.075 53.791 54.000 -0.223 0.000 0.987 195 D CB 1.022 41.704 40.800 -0.197 0.000 1.116 195 D HN 0.077 nan 8.370 nan 0.000 0.491 196 D N -0.531 119.739 120.400 -0.217 0.000 2.431 196 D HA 0.097 4.735 4.640 -0.003 0.000 0.213 196 D C -0.263 175.924 176.300 -0.189 0.000 1.130 196 D CA -0.100 53.775 54.000 -0.208 0.000 0.834 196 D CB 0.141 40.854 40.800 -0.145 0.000 0.985 196 D HN 0.154 nan 8.370 nan 0.000 0.504 197 K N 0.492 120.791 120.400 -0.168 0.000 2.306 197 K HA 0.593 4.911 4.320 -0.003 0.000 0.236 197 K C -2.807 173.774 176.600 -0.032 0.000 1.013 197 K CA -2.143 54.081 56.287 -0.105 0.000 0.857 197 K CB 1.333 33.800 32.500 -0.055 0.000 1.214 197 K HN -0.192 nan 8.250 nan 0.000 0.449 198 P HA -0.089 nan 4.420 nan 0.000 0.272 198 P C 0.065 177.555 177.300 0.316 0.000 1.223 198 P CA -0.326 62.855 63.100 0.134 0.000 0.784 198 P CB 0.440 32.141 31.700 0.002 0.000 0.923 199 W N 3.515 124.897 121.300 0.135 0.000 2.335 199 W HA -0.060 4.598 4.660 -0.003 0.000 0.311 199 W C -0.424 176.047 176.519 -0.080 0.000 1.213 199 W CA 1.248 58.508 57.345 -0.143 0.000 1.274 199 W CB 0.045 29.161 29.460 -0.573 0.000 1.148 199 W HN 0.171 nan 8.180 nan 0.000 0.498 200 L N 3.658 124.943 121.223 0.104 0.000 2.345 200 L HA 0.347 4.685 4.340 -0.003 0.000 0.274 200 L C -0.168 176.737 176.870 0.057 0.000 0.999 200 L CA -0.462 54.391 54.840 0.021 0.000 0.849 200 L CB 1.062 43.170 42.059 0.082 0.000 1.220 200 L HN -0.006 nan 8.230 nan 0.000 0.422 201 R N 3.426 123.936 120.500 0.017 0.000 2.210 201 R HA 0.335 4.673 4.340 -0.003 0.000 0.338 201 R C -0.503 175.816 176.300 0.032 0.000 1.062 201 R CA -0.407 55.716 56.100 0.038 0.000 0.902 201 R CB 1.207 31.515 30.300 0.013 0.000 1.050 201 R HN 0.597 nan 8.270 nan 0.000 0.461 202 E N 3.082 123.312 120.200 0.049 0.000 2.402 202 E HA 0.373 4.721 4.350 -0.003 0.000 0.244 202 E C -1.514 175.100 176.600 0.022 0.000 0.945 202 E CA -0.568 55.854 56.400 0.037 0.000 0.774 202 E CB 1.453 31.188 29.700 0.058 0.000 1.296 202 E HN 0.801 nan 8.360 nan 0.000 0.414 203 A N 5.404 128.239 122.820 0.026 0.000 3.266 203 A HA 0.353 4.672 4.320 -0.003 0.000 0.310 203 A C -2.413 175.190 177.584 0.032 0.000 1.066 203 A CA -0.979 51.074 52.037 0.028 0.000 0.839 203 A CB 0.287 19.311 19.000 0.039 0.000 1.192 203 A HN 0.463 nan 8.150 nan 0.000 0.496 204 P HA 0.275 nan 4.420 nan 0.000 0.271 204 P C -0.418 176.912 177.300 0.051 0.000 1.216 204 P CA -0.081 63.041 63.100 0.036 0.000 0.771 204 P CB 0.697 32.416 31.700 0.033 0.000 0.864 205 R N 1.564 122.094 120.500 0.050 0.000 2.490 205 R HA 0.365 4.703 4.340 -0.003 0.000 0.280 205 R C -0.102 176.231 176.300 0.054 0.000 1.077 205 R CA -0.681 55.460 56.100 0.068 0.000 1.065 205 R CB 0.332 30.665 30.300 0.056 0.000 1.003 205 R HN 0.413 nan 8.270 nan 0.000 0.470 206 L N 2.228 123.491 121.223 0.067 0.000 2.316 206 L HA 0.378 4.717 4.340 -0.003 0.000 0.280 206 L C -0.898 175.977 176.870 0.009 0.000 1.006 206 L CA 0.159 54.990 54.840 -0.014 0.000 0.836 206 L CB 1.260 43.223 42.059 -0.159 0.000 1.221 206 L HN 0.661 nan 8.230 nan 0.000 0.418 207 E N 2.551 122.760 120.200 0.015 0.000 2.343 207 E HA 0.483 4.831 4.350 -0.003 0.000 0.278 207 E C -1.206 175.417 176.600 0.038 0.000 0.910 207 E CA -0.633 55.794 56.400 0.045 0.000 0.757 207 E CB 1.938 31.679 29.700 0.067 0.000 1.218 207 E HN 0.613 nan 8.360 nan 0.000 0.435 208 S N 1.716 117.450 115.700 0.058 0.000 2.580 208 S HA 0.139 4.607 4.470 -0.003 0.000 0.274 208 S C -0.241 174.415 174.600 0.094 0.000 1.329 208 S CA -0.405 57.832 58.200 0.062 0.000 1.036 208 S CB 0.858 64.096 63.200 0.063 0.000 0.919 208 S HN 0.401 nan 8.310 nan 0.000 0.515 209 E N 1.174 121.418 120.200 0.073 0.000 2.371 209 E HA 0.109 4.457 4.350 -0.003 0.000 0.257 209 E C -0.020 176.649 176.600 0.116 0.000 1.134 209 E CA -0.479 55.964 56.400 0.072 0.000 0.919 209 E CB 0.499 30.227 29.700 0.047 0.000 1.025 209 E HN 0.387 nan 8.360 nan 0.000 0.438 210 K N 2.254 122.703 120.400 0.082 0.000 2.453 210 K HA -0.085 4.233 4.320 -0.003 0.000 0.280 210 K C -0.462 176.265 176.600 0.211 0.000 1.045 210 K CA -0.141 56.201 56.287 0.092 0.000 1.059 210 K CB 0.422 32.878 32.500 -0.074 0.000 0.901 210 K HN 0.279 nan 8.250 nan 0.000 0.475 211 Q N 4.275 124.346 119.800 0.452 0.000 2.301 211 Q HA -0.042 4.296 4.340 -0.003 0.000 0.262 211 Q C 0.477 176.723 176.000 0.410 0.000 1.168 211 Q CA 0.578 56.590 55.803 0.348 0.000 0.908 211 Q CB 0.475 29.372 28.738 0.266 0.000 1.348 211 Q HN 0.567 nan 8.270 nan 0.000 0.441 212 R N 1.471 122.136 120.500 0.276 0.000 2.285 212 R HA -0.120 4.218 4.340 -0.003 0.000 0.213 212 R C 0.503 176.976 176.300 0.289 0.000 1.068 212 R CA 1.172 57.404 56.100 0.221 0.000 1.004 212 R CB 0.389 30.761 30.300 0.121 0.000 0.873 212 R HN 0.543 nan 8.270 nan 0.000 0.467 213 D N -1.015 119.654 120.400 0.449 0.000 2.402 213 D HA -0.127 4.512 4.640 -0.003 0.000 0.216 213 D C 1.272 178.034 176.300 0.771 0.000 1.128 213 D CA -0.368 53.935 54.000 0.505 0.000 0.833 213 D CB -0.683 40.388 40.800 0.450 0.000 0.971 213 D HN 0.269 nan 8.370 nan 0.000 0.503 214 W N 0.903 122.611 121.300 0.681 0.000 2.304 214 W HA -0.296 4.362 4.660 -0.004 0.000 0.315 214 W C 0.611 177.508 176.519 0.630 0.000 1.233 214 W CA 0.814 58.613 57.345 0.756 0.000 1.261 214 W CB -0.394 29.502 29.460 0.726 0.000 1.150 214 W HN -0.108 nan 8.180 nan 0.000 0.494 215 F N 0.059 120.016 119.950 0.012 0.000 2.236 215 F HA -0.203 4.322 4.527 -0.003 0.000 0.302 215 F C 2.285 177.993 175.800 -0.153 0.000 1.073 215 F CA 1.711 59.604 58.000 -0.178 0.000 1.336 215 F CB -1.672 37.320 39.000 -0.015 0.000 1.040 215 F HN -0.077 nan 8.300 nan 0.000 0.507 216 F N -1.319 118.636 119.950 0.008 0.000 2.118 216 F HA -0.114 4.411 4.527 -0.003 0.000 0.293 216 F C 1.980 177.617 175.800 -0.271 0.000 1.102 216 F CA 1.319 59.207 58.000 -0.187 0.000 1.247 216 F CB -0.664 38.159 39.000 -0.296 0.000 1.017 216 F HN -0.113 nan 8.300 nan 0.000 0.475 217 W N 1.387 122.683 121.300 -0.008 0.000 2.436 217 W HA -0.022 4.636 4.660 -0.003 0.000 0.284 217 W C 2.592 178.942 176.519 -0.282 0.000 1.225 217 W CA 0.973 58.237 57.345 -0.136 0.000 1.271 217 W CB -0.468 29.062 29.460 0.117 0.000 1.114 217 W HN -0.075 nan 8.180 nan 0.000 0.559 218 R N 1.369 121.552 120.500 -0.528 0.000 2.261 218 R HA -0.216 4.122 4.340 -0.003 0.000 0.236 218 R C 1.080 177.154 176.300 -0.377 0.000 1.141 218 R CA 1.703 57.255 56.100 -0.913 0.000 1.001 218 R CB -0.456 28.817 30.300 -1.712 0.000 0.866 218 R HN 0.319 nan 8.270 nan 0.000 0.468 219 Q N -0.214 119.411 119.800 -0.291 0.000 2.282 219 Q HA 0.136 4.475 4.340 -0.003 0.000 0.206 219 Q C -0.168 175.737 176.000 -0.159 0.000 0.878 219 Q CA -0.113 55.562 55.803 -0.215 0.000 0.944 219 Q CB 0.753 29.316 28.738 -0.290 0.000 1.100 219 Q HN 0.102 nan 8.270 nan 0.000 0.509 220 K N 0.668 120.992 120.400 -0.127 0.000 2.209 220 K HA 0.310 4.628 4.320 -0.003 0.000 0.238 220 K C -0.036 176.359 176.600 -0.342 0.000 1.028 220 K CA -0.496 55.652 56.287 -0.231 0.000 0.935 220 K CB 0.479 32.865 32.500 -0.191 0.000 1.162 220 K HN -0.024 nan 8.250 nan 0.000 0.485 221 R N 0.618 120.736 120.500 -0.637 0.000 2.272 221 R HA 0.242 4.581 4.340 -0.003 0.000 0.334 221 R C 0.407 175.997 176.300 -1.184 0.000 1.117 221 R CA -0.145 55.204 56.100 -1.252 0.000 0.966 221 R CB 0.066 29.372 30.300 -1.656 0.000 1.049 221 R HN 0.612 nan 8.270 nan 0.000 0.477 222 G N 1.084 108.883 108.800 -1.669 0.000 2.489 222 G HA2 0.540 4.498 3.960 -0.003 0.000 0.327 222 G HA3 0.540 4.498 3.960 -0.003 0.000 0.327 222 G C -1.017 173.363 174.900 -0.867 0.000 1.189 222 G CA -0.417 43.485 45.100 -1.996 0.000 0.962 222 G HN 0.281 nan 8.290 nan 0.000 0.486 223 V N 0.339 120.062 119.914 -0.318 0.000 2.588 223 V HA 0.411 4.529 4.120 -0.003 0.000 0.304 223 V C -0.265 175.994 176.094 0.274 0.000 1.042 223 V CA -0.670 61.706 62.300 0.127 0.000 0.877 223 V CB 1.865 33.800 31.823 0.188 0.000 0.996 223 V HN 0.564 nan 8.190 nan 0.000 0.425 224 V N 5.331 125.474 119.914 0.382 0.000 2.383 224 V HA 0.436 4.554 4.120 -0.003 0.000 0.275 224 V C -0.054 176.183 176.094 0.238 0.000 1.036 224 V CA -0.535 61.994 62.300 0.382 0.000 0.889 224 V CB 1.527 33.633 31.823 0.471 0.000 0.985 224 V HN 0.576 nan 8.190 nan 0.000 0.459 225 V N 4.340 124.371 119.914 0.194 0.000 2.398 225 V HA 0.723 4.841 4.120 -0.003 0.000 0.286 225 V C 0.398 176.562 176.094 0.116 0.000 1.026 225 V CA -0.383 62.009 62.300 0.153 0.000 0.868 225 V CB 1.677 33.611 31.823 0.184 0.000 0.982 225 V HN 0.985 nan 8.190 nan 0.000 0.443 226 A N 4.265 127.140 122.820 0.092 0.000 2.316 226 A HA 0.803 5.121 4.320 -0.003 0.000 0.324 226 A C 0.515 178.118 177.584 0.032 0.000 1.375 226 A CA 0.087 52.159 52.037 0.059 0.000 0.882 226 A CB 0.722 19.761 19.000 0.066 0.000 1.152 226 A HN 0.925 nan 8.150 nan 0.000 0.512 227 G N 0.780 109.590 108.800 0.016 0.000 2.582 227 G HA2 0.384 4.343 3.960 -0.003 0.000 0.232 227 G HA3 0.384 4.343 3.960 -0.003 0.000 0.232 227 G C 0.564 175.453 174.900 -0.019 0.000 1.458 227 G CA -0.601 44.500 45.100 0.001 0.000 1.062 227 G HN 0.838 nan 8.290 nan 0.000 0.566 231 A N 1.273 124.043 122.820 -0.083 0.000 1.917 231 A HA -0.074 4.244 4.320 -0.003 0.000 0.219 231 A C 1.974 179.534 177.584 -0.039 0.000 1.182 231 A CA 1.981 53.975 52.037 -0.071 0.000 0.633 231 A CB -1.006 17.941 19.000 -0.089 0.000 0.819 231 A HN 0.823 nan 8.150 nan 0.000 0.448 232 E N -0.020 120.162 120.200 -0.031 0.000 2.106 232 E HA -0.162 4.187 4.350 -0.003 0.000 0.192 232 E C 1.999 178.590 176.600 -0.014 0.000 0.984 232 E CA 1.302 57.691 56.400 -0.018 0.000 0.806 232 E CB -0.348 29.345 29.700 -0.013 0.000 0.750 232 E HN 0.791 nan 8.360 nan 0.000 0.458 233 E N -0.124 120.063 120.200 -0.022 0.000 2.051 233 E HA -0.147 4.201 4.350 -0.003 0.000 0.192 233 E C 2.176 178.765 176.600 -0.018 0.000 0.991 233 E CA 0.983 57.367 56.400 -0.026 0.000 0.799 233 E CB -0.338 29.340 29.700 -0.037 0.000 0.748 233 E HN 0.274 nan 8.360 nan 0.000 0.449 234 G N 2.051 110.840 108.800 -0.017 0.000 2.513 234 G HA2 -0.333 3.625 3.960 -0.003 0.000 0.219 234 G HA3 -0.333 3.625 3.960 -0.003 0.000 0.219 234 G C 1.479 176.390 174.900 0.019 0.000 1.160 234 G CA 1.152 46.251 45.100 -0.002 0.000 0.767 234 G HN 0.141 nan 8.290 nan 0.000 0.571 235 K N 0.406 120.814 120.400 0.014 0.000 2.009 235 K HA -0.091 4.227 4.320 -0.003 0.000 0.210 235 K C 2.636 179.262 176.600 0.043 0.000 1.049 235 K CA 1.525 57.828 56.287 0.025 0.000 0.929 235 K CB -0.192 32.317 32.500 0.016 0.000 0.714 235 K HN 0.222 nan 8.250 nan 0.000 0.440 236 K N 0.581 121.002 120.400 0.035 0.000 2.032 236 K HA -0.147 4.171 4.320 -0.003 0.000 0.209 236 K C 2.107 178.765 176.600 0.096 0.000 1.048 236 K CA 1.456 57.774 56.287 0.051 0.000 0.927 236 K CB -0.283 32.225 32.500 0.013 0.000 0.712 236 K HN -0.062 nan 8.250 nan 0.000 0.441 237 V N 1.478 121.432 119.914 0.067 0.000 2.287 237 V HA -0.317 3.801 4.120 -0.003 0.000 0.248 237 V C 2.384 178.610 176.094 0.220 0.000 1.053 237 V CA 2.099 64.478 62.300 0.132 0.000 1.027 237 V CB -0.831 31.033 31.823 0.069 0.000 0.646 237 V HN 0.419 nan 8.190 nan 0.000 0.447 238 A N -0.225 122.677 122.820 0.137 0.000 1.873 238 A HA -0.234 4.085 4.320 -0.003 0.000 0.218 238 A C 2.251 179.912 177.584 0.128 0.000 1.193 238 A CA 2.111 54.219 52.037 0.118 0.000 0.629 238 A CB -0.727 18.316 19.000 0.072 0.000 0.826 238 A HN 0.391 nan 8.150 nan 0.000 0.447 239 L N -2.007 119.292 121.223 0.127 0.000 2.042 239 L HA -0.184 4.154 4.340 -0.003 0.000 0.210 239 L C 2.247 179.211 176.870 0.157 0.000 1.076 239 L CA 2.327 57.237 54.840 0.116 0.000 0.749 239 L CB -1.313 40.810 42.059 0.106 0.000 0.893 239 L HN 0.785 nan 8.230 nan 0.000 0.432 240 W N 0.342 121.648 121.300 0.009 0.000 2.379 240 W HA -0.162 4.496 4.660 -0.003 0.000 0.307 240 W C 2.517 179.020 176.519 -0.026 0.000 1.200 240 W CA 2.372 59.718 57.345 0.003 0.000 1.297 240 W CB -0.279 29.202 29.460 0.036 0.000 1.140 240 W HN 0.193 nan 8.180 nan 0.000 0.507 241 A N 0.100 123.048 122.820 0.213 0.000 1.883 241 A HA -0.330 3.988 4.320 -0.003 0.000 0.217 241 A C 2.017 179.559 177.584 -0.071 0.000 1.186 241 A CA 2.178 54.235 52.037 0.033 0.000 0.624 241 A CB -1.289 17.839 19.000 0.214 0.000 0.822 241 A HN 0.582 nan 8.150 nan 0.000 0.444 242 Q N -0.970 118.823 119.800 -0.013 0.000 2.084 242 Q HA -0.167 4.172 4.340 -0.003 0.000 0.202 242 Q C 2.069 178.015 176.000 -0.090 0.000 0.978 242 Q CA 2.148 57.931 55.803 -0.034 0.000 0.844 242 Q CB -0.318 28.416 28.738 -0.007 0.000 0.898 242 Q HN 0.611 nan 8.270 nan 0.000 0.426 243 T N 1.502 115.982 114.554 -0.124 0.000 2.684 243 T HA -0.137 4.211 4.350 -0.003 0.000 0.267 243 T C 1.758 176.303 174.700 -0.258 0.000 1.036 243 T CA 1.378 63.381 62.100 -0.162 0.000 1.148 243 T CB -0.220 68.562 68.868 -0.144 0.000 0.863 243 T HN 0.268 nan 8.240 nan 0.000 0.436 244 L N 0.461 121.413 121.223 -0.452 0.000 2.265 244 L HA 0.096 4.435 4.340 -0.003 0.000 0.215 244 L C 2.036 178.766 176.870 -0.233 0.000 1.117 244 L CA 0.782 55.259 54.840 -0.606 0.000 0.782 244 L CB -0.811 40.414 42.059 -1.389 0.000 0.914 244 L HN 0.531 nan 8.230 nan 0.000 0.441 245 G N -1.635 107.111 108.800 -0.091 0.000 2.160 245 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.251 245 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.251 245 G C -0.328 174.747 174.900 0.290 0.000 1.008 245 G CA -0.358 44.788 45.100 0.077 0.000 0.724 245 G HN 0.165 nan 8.290 nan 0.000 0.514 246 W N 0.883 122.170 121.300 -0.022 0.000 2.315 246 W HA 0.533 5.192 4.660 -0.002 0.000 0.316 246 W C -1.625 174.840 176.519 -0.090 0.000 1.211 246 W CA -3.118 54.250 57.345 0.039 0.000 1.201 246 W CB 0.312 29.828 29.460 0.093 0.000 1.184 246 W HN 0.019 nan 8.180 nan 0.000 0.544 247 P HA -0.013 nan 4.420 nan 0.000 0.263 247 P C -0.574 176.774 177.300 0.081 0.000 1.195 247 P CA -0.078 62.967 63.100 -0.092 0.000 0.762 247 P CB 0.834 32.380 31.700 -0.256 0.000 0.799 248 L N 5.577 126.849 121.223 0.082 0.000 2.255 248 L HA 0.372 4.710 4.340 -0.003 0.000 0.289 248 L C -0.330 176.619 176.870 0.132 0.000 1.046 248 L CA -0.461 54.460 54.840 0.135 0.000 0.816 248 L CB 0.029 42.168 42.059 0.133 0.000 1.197 248 L HN 0.218 nan 8.230 nan 0.000 0.427 249 I N 5.592 126.245 120.570 0.138 0.000 2.291 249 I HA 0.390 4.558 4.170 -0.003 0.000 0.292 249 I C 0.828 176.996 176.117 0.084 0.000 1.064 249 I CA -0.103 61.271 61.300 0.123 0.000 1.269 249 I CB 0.906 38.929 38.000 0.038 0.000 1.418 249 I HN 0.776 nan 8.210 nan 0.000 0.485 250 G N 4.059 112.904 108.800 0.075 0.000 2.368 250 G HA2 0.312 4.270 3.960 -0.003 0.000 0.320 250 G HA3 0.312 4.270 3.960 -0.003 0.000 0.320 250 G C -0.843 174.069 174.900 0.020 0.000 1.158 250 G CA -0.370 44.760 45.100 0.051 0.000 0.912 250 G HN 0.542 nan 8.290 nan 0.000 0.456 251 D N 1.119 121.525 120.400 0.009 0.000 2.344 251 D HA 0.183 4.821 4.640 -0.003 0.000 0.244 251 D C 1.873 178.162 176.300 -0.018 0.000 1.134 251 D CA -0.486 53.507 54.000 -0.011 0.000 0.930 251 D CB 1.519 42.312 40.800 -0.012 0.000 1.175 251 D HN 0.084 nan 8.370 nan 0.000 0.437 252 V N 1.821 121.717 119.914 -0.029 0.000 2.370 252 V HA -0.265 3.853 4.120 -0.003 0.000 0.252 252 V C 2.105 178.172 176.094 -0.044 0.000 1.068 252 V CA 1.549 63.827 62.300 -0.035 0.000 1.061 252 V CB -0.960 30.835 31.823 -0.046 0.000 0.656 252 V HN 0.562 nan 8.190 nan 0.000 0.455 253 L N 1.205 122.397 121.223 -0.051 0.000 2.492 253 L HA -0.016 4.322 4.340 -0.003 0.000 0.223 253 L C 2.656 179.490 176.870 -0.061 0.000 1.132 253 L CA 1.058 55.857 54.840 -0.068 0.000 0.850 253 L CB -0.656 41.363 42.059 -0.067 0.000 0.966 253 L HN 0.557 nan 8.230 nan 0.000 0.454 254 S N 0.006 115.685 115.700 -0.036 0.000 2.383 254 S HA -0.227 4.241 4.470 -0.003 0.000 0.227 254 S C 1.171 175.756 174.600 -0.025 0.000 1.026 254 S CA 0.762 58.948 58.200 -0.023 0.000 0.981 254 S CB -0.171 63.031 63.200 0.002 0.000 0.818 254 S HN 0.543 nan 8.310 nan 0.000 0.472 255 Q N 0.262 120.050 119.800 -0.021 0.000 2.481 255 Q HA -0.157 4.182 4.340 -0.003 0.000 0.258 255 Q C 1.034 177.038 176.000 0.007 0.000 0.961 255 Q CA 1.053 56.851 55.803 -0.008 0.000 1.121 255 Q CB -2.737 25.984 28.738 -0.029 0.000 1.503 255 Q HN 0.930 nan 8.270 nan 0.000 0.544 256 T N -4.949 109.614 114.554 0.015 0.000 2.995 256 T HA 0.235 4.583 4.350 -0.003 0.000 0.269 256 T C 1.686 176.403 174.700 0.028 0.000 1.091 256 T CA 0.988 63.106 62.100 0.030 0.000 1.128 256 T CB 0.340 69.236 68.868 0.046 0.000 0.891 256 T HN 1.018 nan 8.240 nan 0.000 0.492 257 G N 1.266 110.078 108.800 0.019 0.000 2.258 257 G HA2 -0.293 3.666 3.960 -0.003 0.000 0.233 257 G HA3 -0.293 3.666 3.960 -0.003 0.000 0.233 257 G C 0.146 175.054 174.900 0.014 0.000 1.006 257 G CA -0.118 44.989 45.100 0.012 0.000 0.620 257 G HN 0.724 nan 8.290 nan 0.000 0.511 258 Q N -0.831 118.985 119.800 0.028 0.000 2.448 258 Q HA -0.168 4.171 4.340 -0.003 0.000 0.357 258 Q C -1.224 174.798 176.000 0.037 0.000 1.443 258 Q CA 0.582 56.410 55.803 0.042 0.000 0.996 258 Q CB -0.827 27.935 28.738 0.040 0.000 1.180 258 Q HN 0.557 nan 8.270 nan 0.000 0.338 259 P HA -0.151 nan 4.420 nan 0.000 0.222 259 P C 0.266 177.560 177.300 -0.010 0.000 1.147 259 P CA 1.243 64.344 63.100 0.003 0.000 0.790 259 P CB 0.317 32.014 31.700 -0.005 0.000 0.780 260 L N 1.691 122.935 121.223 0.035 0.000 2.599 260 L HA 0.378 4.717 4.340 -0.003 0.000 0.241 260 L C -2.148 174.877 176.870 0.258 0.000 1.207 260 L CA -2.157 52.712 54.840 0.050 0.000 0.987 260 L CB 1.042 43.102 42.059 0.002 0.000 1.318 260 L HN -0.116 nan 8.230 nan 0.000 0.458 261 P HA 0.015 nan 4.420 nan 0.000 0.273 261 P C 0.299 177.762 177.300 0.272 0.000 1.250 261 P CA -0.092 63.110 63.100 0.170 0.000 0.793 261 P CB 0.962 32.718 31.700 0.092 0.000 1.011 262 C N -1.049 118.333 119.300 0.136 0.000 4.350 262 C HA -0.098 4.360 4.460 -0.003 0.000 0.302 262 C C 2.162 177.061 174.990 -0.151 0.000 1.390 262 C CA 0.191 59.247 59.018 0.063 0.000 2.016 262 C CB -3.285 24.527 27.740 0.121 0.000 1.271 262 C HN 0.751 nan 8.230 nan 0.000 0.760 263 A N 0.551 123.168 122.820 -0.340 0.000 1.903 263 A HA -0.270 4.048 4.320 -0.003 0.000 0.219 263 A C 1.842 178.884 177.584 -0.904 0.000 1.191 263 A CA 2.644 54.033 52.037 -1.081 0.000 0.638 263 A CB -0.525 18.114 19.000 -0.601 0.000 0.823 263 A HN 0.720 nan 8.150 nan 0.000 0.451 264 D N -0.632 119.507 120.400 -0.436 0.000 2.228 264 D HA -0.132 4.507 4.640 -0.003 0.000 0.203 264 D C 1.758 177.908 176.300 -0.250 0.000 0.988 264 D CA 1.316 55.145 54.000 -0.285 0.000 0.864 264 D CB -0.104 40.599 40.800 -0.161 0.000 0.928 264 D HN 0.508 nan 8.370 nan 0.000 0.469 265 L N -0.413 120.669 121.223 -0.235 0.000 2.130 265 L HA 0.055 4.394 4.340 -0.003 0.000 0.200 265 L C 2.545 179.372 176.870 -0.072 0.000 1.075 265 L CA 0.652 55.427 54.840 -0.109 0.000 0.768 265 L CB -0.870 41.177 42.059 -0.020 0.000 0.933 265 L HN 0.345 nan 8.230 nan 0.000 0.451 266 W N 0.384 121.642 121.300 -0.069 0.000 2.467 266 W HA -0.037 4.622 4.660 -0.003 0.000 0.275 266 W C 1.674 178.134 176.519 -0.099 0.000 1.239 266 W CA 0.188 57.483 57.345 -0.083 0.000 1.266 266 W CB -0.830 28.575 29.460 -0.092 0.000 1.112 266 W HN 0.086 nan 8.180 nan 0.000 0.576 267 L N 1.843 122.831 121.223 -0.392 0.000 2.261 267 L HA -0.052 4.286 4.340 -0.003 0.000 0.216 267 L C 2.690 179.504 176.870 -0.093 0.000 1.114 267 L CA 1.439 56.099 54.840 -0.301 0.000 0.777 267 L CB -1.175 40.572 42.059 -0.520 0.000 0.910 267 L HN 0.132 nan 8.230 nan 0.000 0.440 268 G N -0.868 107.882 108.800 -0.083 0.000 2.776 268 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.209 268 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.209 268 G C 0.578 175.467 174.900 -0.018 0.000 1.145 268 G CA -0.100 44.973 45.100 -0.046 0.000 0.791 268 G HN 0.247 nan 8.290 nan 0.000 0.530 269 N N 0.405 119.122 118.700 0.028 0.000 2.424 269 N HA 0.379 5.117 4.740 -0.003 0.000 0.271 269 N C 1.331 176.872 175.510 0.052 0.000 0.985 269 N CA 0.107 53.179 53.050 0.036 0.000 0.921 269 N CB 1.752 40.283 38.487 0.073 0.000 1.149 269 N HN -0.070 nan 8.380 nan 0.000 0.492 270 A N 4.734 127.575 122.820 0.035 0.000 1.986 270 A HA -0.177 4.142 4.320 -0.003 0.000 0.220 270 A C 1.909 179.528 177.584 0.058 0.000 1.171 270 A CA 1.443 53.510 52.037 0.049 0.000 0.640 270 A CB -0.201 18.823 19.000 0.040 0.000 0.811 270 A HN 0.811 nan 8.150 nan 0.000 0.451 271 K N -0.519 119.908 120.400 0.045 0.000 2.148 271 K HA -0.013 4.306 4.320 -0.003 0.000 0.204 271 K C 2.218 178.839 176.600 0.035 0.000 1.050 271 K CA 1.004 57.312 56.287 0.034 0.000 0.942 271 K CB -0.252 32.255 32.500 0.012 0.000 0.724 271 K HN 0.470 nan 8.250 nan 0.000 0.446 272 A N 1.182 124.036 122.820 0.057 0.000 1.930 272 A HA -0.102 4.216 4.320 -0.003 0.000 0.215 272 A C 2.217 179.853 177.584 0.087 0.000 1.176 272 A CA 1.719 53.800 52.037 0.074 0.000 0.632 272 A CB -0.745 18.399 19.000 0.239 0.000 0.819 272 A HN 0.354 nan 8.150 nan 0.000 0.445 273 T N -0.083 114.535 114.554 0.106 0.000 2.737 273 T HA -0.147 4.201 4.350 -0.003 0.000 0.265 273 T C 2.153 176.964 174.700 0.185 0.000 1.038 273 T CA 1.780 63.978 62.100 0.164 0.000 1.144 273 T CB -0.831 68.147 68.868 0.183 0.000 0.866 273 T HN 0.646 nan 8.240 nan 0.000 0.434 274 S N 1.650 117.428 115.700 0.131 0.000 2.423 274 S HA -0.070 4.398 4.470 -0.003 0.000 0.231 274 S C 2.019 176.697 174.600 0.131 0.000 1.014 274 S CA 0.999 59.271 58.200 0.121 0.000 0.965 274 S CB -0.451 62.801 63.200 0.085 0.000 0.785 274 S HN 0.638 nan 8.310 nan 0.000 0.495 275 E N 1.115 121.385 120.200 0.117 0.000 2.106 275 E HA 0.010 4.358 4.350 -0.003 0.000 0.192 275 E C 1.855 178.609 176.600 0.256 0.000 0.984 275 E CA 0.764 57.250 56.400 0.143 0.000 0.806 275 E CB -0.181 29.541 29.700 0.038 0.000 0.750 275 E HN 0.551 nan 8.360 nan 0.000 0.458 276 L N 0.520 121.881 121.223 0.230 0.000 2.291 276 L HA -0.112 4.226 4.340 -0.003 0.000 0.214 276 L C 2.362 179.465 176.870 0.387 0.000 1.120 276 L CA 0.642 55.688 54.840 0.343 0.000 0.799 276 L CB -0.119 42.084 42.059 0.239 0.000 0.925 276 L HN 0.199 nan 8.230 nan 0.000 0.446 277 Q N -0.283 119.688 119.800 0.286 0.000 2.364 277 Q HA -0.218 4.121 4.340 -0.003 0.000 0.209 277 Q C 1.858 177.923 176.000 0.109 0.000 0.977 277 Q CA 1.020 56.939 55.803 0.194 0.000 0.885 277 Q CB 0.097 28.921 28.738 0.144 0.000 0.941 277 Q HN 0.603 nan 8.270 nan 0.000 0.464 278 Q N -0.401 119.461 119.800 0.103 0.000 2.435 278 Q HA 0.117 4.456 4.340 -0.003 0.000 0.207 278 Q C 0.254 176.090 176.000 -0.274 0.000 0.956 278 Q CA 0.076 55.840 55.803 -0.064 0.000 0.917 278 Q CB 0.202 28.911 28.738 -0.049 0.000 0.997 278 Q HN 0.185 nan 8.270 nan 0.000 0.497 279 A N 1.255 123.983 122.820 -0.153 0.000 2.548 279 A HA -0.060 4.259 4.320 -0.003 0.000 0.247 279 A C 0.626 178.082 177.584 -0.213 0.000 1.067 279 A CA 0.168 52.053 52.037 -0.254 0.000 0.757 279 A CB 0.358 19.391 19.000 0.056 0.000 0.996 279 A HN 0.312 nan 8.150 nan 0.000 0.504 280 Q N 1.282 120.900 119.800 -0.305 0.000 2.396 280 Q HA 0.374 4.713 4.340 -0.003 0.000 0.220 280 Q C 0.166 176.067 176.000 -0.165 0.000 0.900 280 Q CA 0.542 56.255 55.803 -0.151 0.000 0.925 280 Q CB 0.592 29.276 28.738 -0.089 0.000 1.065 280 Q HN 0.819 nan 8.270 nan 0.000 0.535 281 I N -0.190 120.185 120.570 -0.324 0.000 2.686 281 I HA 0.368 4.537 4.170 -0.003 0.000 0.295 281 I C -1.712 174.131 176.117 -0.457 0.000 1.114 281 I CA -1.145 59.891 61.300 -0.440 0.000 1.038 281 I CB 2.205 39.899 38.000 -0.510 0.000 1.238 281 I HN -0.332 nan 8.210 nan 0.000 0.420 282 V N 7.560 127.199 119.914 -0.457 0.000 2.409 282 V HA 0.378 4.496 4.120 -0.003 0.000 0.290 282 V C -0.557 175.238 176.094 -0.499 0.000 1.017 282 V CA -0.590 61.453 62.300 -0.429 0.000 0.841 282 V CB 1.647 33.168 31.823 -0.503 0.000 1.003 282 V HN 0.461 nan 8.190 nan 0.000 0.426 283 V N 5.384 125.218 119.914 -0.134 0.000 2.333 283 V HA 0.382 4.500 4.120 -0.003 0.000 0.274 283 V C 0.099 176.224 176.094 0.052 0.000 1.028 283 V CA -0.350 61.974 62.300 0.041 0.000 0.851 283 V CB 1.359 33.426 31.823 0.406 0.000 1.000 283 V HN 0.900 nan 8.190 nan 0.000 0.456 284 Q N 4.518 124.284 119.800 -0.057 0.000 2.290 284 Q HA 0.631 4.970 4.340 -0.003 0.000 0.259 284 Q C -1.625 174.342 176.000 -0.055 0.000 0.941 284 Q CA -0.677 55.127 55.803 0.001 0.000 0.912 284 Q CB 1.507 30.286 28.738 0.068 0.000 1.244 284 Q HN 0.655 nan 8.270 nan 0.000 0.441 285 L N 3.502 124.693 121.223 -0.053 0.000 2.341 285 L HA 0.707 5.046 4.340 -0.003 0.000 0.278 285 L C 0.495 177.320 176.870 -0.076 0.000 1.005 285 L CA 0.092 54.850 54.840 -0.136 0.000 0.818 285 L CB 1.863 43.819 42.059 -0.171 0.000 1.259 285 L HN 0.934 nan 8.230 nan 0.000 0.418 286 G N 2.344 111.089 108.800 -0.092 0.000 2.698 286 G HA2 0.103 4.061 3.960 -0.003 0.000 0.233 286 G HA3 0.103 4.061 3.960 -0.003 0.000 0.233 286 G C -0.292 174.593 174.900 -0.026 0.000 1.352 286 G CA -0.086 44.982 45.100 -0.054 0.000 0.879 286 G HN 1.228 nan 8.290 nan 0.000 0.567 287 S N -3.558 112.134 115.700 -0.014 0.000 2.862 287 S HA 0.738 5.207 4.470 -0.003 0.000 0.300 287 S C 0.412 175.011 174.600 -0.002 0.000 1.240 287 S CA 0.737 58.938 58.200 0.002 0.000 1.025 287 S CB 0.637 63.839 63.200 0.003 0.000 1.340 287 S HN 2.579 nan 8.310 nan 0.000 0.544 288 S N 0.438 116.138 115.700 0.000 0.000 3.608 288 S HA -0.103 4.365 4.470 -0.003 0.000 0.382 288 S C -0.167 174.429 174.600 -0.007 0.000 0.945 288 S CA 0.224 58.420 58.200 -0.005 0.000 1.256 288 S CB -1.874 61.320 63.200 -0.011 0.000 0.913 288 S HN 0.814 nan 8.310 nan 0.000 0.518 289 L N 1.201 122.427 121.223 0.005 0.000 2.514 289 L HA 0.118 4.456 4.340 -0.003 0.000 0.280 289 L C 1.817 178.682 176.870 -0.008 0.000 1.223 289 L CA 1.214 56.059 54.840 0.008 0.000 0.864 289 L CB 0.045 42.124 42.059 0.033 0.000 1.118 289 L HN 0.470 nan 8.230 nan 0.000 0.494 290 T N 1.287 115.829 114.554 -0.019 0.000 2.898 290 T HA 0.129 4.477 4.350 -0.003 0.000 0.241 290 T C 0.756 175.435 174.700 -0.034 0.000 1.024 290 T CA 0.651 62.732 62.100 -0.032 0.000 1.174 290 T CB -0.179 68.664 68.868 -0.042 0.000 0.873 290 T HN 0.734 nan 8.240 nan 0.000 0.422 291 G N 0.913 109.687 108.800 -0.043 0.000 2.444 291 G HA2 0.365 4.324 3.960 -0.003 0.000 0.268 291 G HA3 0.365 4.324 3.960 -0.003 0.000 0.268 291 G C 0.671 175.546 174.900 -0.042 0.000 1.203 291 G CA -0.398 44.670 45.100 -0.053 0.000 0.835 291 G HN 0.173 nan 8.290 nan 0.000 0.543 292 K N 0.881 121.256 120.400 -0.042 0.000 2.032 292 K HA -0.141 4.177 4.320 -0.003 0.000 0.209 292 K C 2.499 179.086 176.600 -0.021 0.000 1.048 292 K CA 1.401 57.671 56.287 -0.028 0.000 0.927 292 K CB -0.156 32.326 32.500 -0.030 0.000 0.712 292 K HN 0.366 nan 8.250 nan 0.000 0.441 293 R N 0.135 120.606 120.500 -0.048 0.000 2.091 293 R HA -0.072 4.267 4.340 -0.003 0.000 0.238 293 R C 2.177 178.476 176.300 -0.003 0.000 1.136 293 R CA 1.393 57.464 56.100 -0.049 0.000 0.959 293 R CB -0.912 29.310 30.300 -0.130 0.000 0.856 293 R HN 0.346 nan 8.270 nan 0.000 0.437 294 L N 0.056 121.259 121.223 -0.033 0.000 2.056 294 L HA -0.039 4.300 4.340 -0.003 0.000 0.207 294 L C 1.741 178.694 176.870 0.138 0.000 1.078 294 L CA 1.640 56.508 54.840 0.046 0.000 0.749 294 L CB -0.466 41.582 42.059 -0.018 0.000 0.901 294 L HN 0.175 nan 8.230 nan 0.000 0.433 295 L N -0.833 120.427 121.223 0.062 0.000 2.017 295 L HA -0.228 4.110 4.340 -0.003 0.000 0.208 295 L C 2.705 179.603 176.870 0.045 0.000 1.073 295 L CA 1.545 56.413 54.840 0.046 0.000 0.745 295 L CB -0.579 41.486 42.059 0.009 0.000 0.894 295 L HN 0.371 nan 8.230 nan 0.000 0.432 296 Q N -1.296 118.535 119.800 0.051 0.000 2.084 296 Q HA -0.272 4.066 4.340 -0.003 0.000 0.202 296 Q C 2.019 178.067 176.000 0.079 0.000 0.978 296 Q CA 2.114 57.944 55.803 0.045 0.000 0.844 296 Q CB -0.289 28.474 28.738 0.042 0.000 0.898 296 Q HN 0.573 nan 8.270 nan 0.000 0.426 297 W N 1.479 122.768 121.300 -0.019 0.000 2.355 297 W HA -0.199 4.461 4.660 0.000 0.000 0.309 297 W C 2.225 178.769 176.519 0.042 0.000 1.206 297 W CA 1.371 58.719 57.345 0.006 0.000 1.284 297 W CB -0.227 29.226 29.460 -0.013 0.000 1.145 297 W HN 0.090 nan 8.180 nan 0.000 0.502 298 Q N 0.600 120.390 119.800 -0.016 0.000 2.112 298 Q HA -0.257 4.081 4.340 -0.003 0.000 0.206 298 Q C 2.211 178.092 176.000 -0.198 0.000 0.987 298 Q CA 2.477 58.161 55.803 -0.197 0.000 0.858 298 Q CB -0.791 27.973 28.738 0.042 0.000 0.905 298 Q HN 0.412 nan 8.270 nan 0.000 0.420 299 A N 0.145 122.893 122.820 -0.119 0.000 1.969 299 A HA -0.135 4.183 4.320 -0.003 0.000 0.218 299 A C 2.193 179.691 177.584 -0.143 0.000 1.169 299 A CA 1.974 53.940 52.037 -0.118 0.000 0.635 299 A CB -0.448 18.491 19.000 -0.102 0.000 0.810 299 A HN 0.555 nan 8.150 nan 0.000 0.445 300 S N -0.836 114.757 115.700 -0.177 0.000 2.470 300 S HA -0.020 4.448 4.470 -0.003 0.000 0.222 300 S C 1.137 175.623 174.600 -0.189 0.000 1.024 300 S CA 0.375 58.482 58.200 -0.154 0.000 0.931 300 S CB -1.557 61.585 63.200 -0.096 0.000 0.791 300 S HN 0.988 nan 8.310 nan 0.000 0.513 301 C N 1.891 120.954 119.300 -0.395 0.000 2.657 301 C HA 0.587 5.045 4.460 -0.003 0.000 0.404 301 C C 0.259 175.199 174.990 -0.084 0.000 1.291 301 C CA -0.709 58.073 59.018 -0.393 0.000 2.218 301 C CB -0.270 26.886 27.740 -0.974 0.000 2.687 301 C HN 0.577 nan 8.230 nan 0.000 0.634 302 E N 2.396 122.578 120.200 -0.030 0.000 3.898 302 E HA 0.296 4.644 4.350 -0.003 0.000 0.219 302 E C -2.205 174.420 176.600 0.043 0.000 1.207 302 E CA -0.927 55.502 56.400 0.049 0.000 1.240 302 E CB 0.501 30.220 29.700 0.032 0.000 1.239 302 E HN 0.728 nan 8.360 nan 0.000 0.422 303 P HA 0.070 nan 4.420 nan 0.000 0.276 303 P C 0.579 177.893 177.300 0.023 0.000 1.252 303 P CA -0.233 62.865 63.100 -0.003 0.000 0.802 303 P CB 1.462 33.123 31.700 -0.064 0.000 1.035 304 E N -0.031 120.177 120.200 0.014 0.000 2.085 304 E HA -0.148 4.200 4.350 -0.003 0.000 0.194 304 E C 0.065 176.671 176.600 0.010 0.000 0.994 304 E CA 1.182 57.620 56.400 0.064 0.000 0.801 304 E CB 0.285 30.093 29.700 0.180 0.000 0.743 304 E HN 0.489 nan 8.360 nan 0.000 0.453 305 E N -1.343 118.781 120.200 -0.128 0.000 2.340 305 E HA 0.229 4.578 4.350 -0.003 0.000 0.273 305 E C -1.852 174.706 176.600 -0.069 0.000 0.891 305 E CA -0.691 55.649 56.400 -0.100 0.000 0.757 305 E CB 1.829 31.347 29.700 -0.304 0.000 1.231 305 E HN 0.046 nan 8.360 nan 0.000 0.439 306 Y N 1.568 121.891 120.300 0.038 0.000 2.331 306 Y HA 0.367 4.916 4.550 -0.001 0.000 0.334 306 Y C -1.464 174.628 175.900 0.320 0.000 0.960 306 Y CA -0.650 57.469 58.100 0.032 0.000 1.130 306 Y CB 0.974 39.367 38.460 -0.112 0.000 1.164 306 Y HN 0.430 nan 8.280 nan 0.000 0.458 307 W N 7.265 128.448 121.300 -0.195 0.000 2.600 307 W HA 0.611 5.269 4.660 -0.004 0.000 0.325 307 W C -1.275 175.179 176.519 -0.108 0.000 1.034 307 W CA -1.602 55.687 57.345 -0.092 0.000 1.226 307 W CB 1.270 30.669 29.460 -0.101 0.000 1.379 307 W HN 0.321 nan 8.180 nan 0.000 0.466 308 I N 4.040 124.685 120.570 0.126 0.000 2.411 308 I HA 0.274 4.442 4.170 -0.003 0.000 0.284 308 I C -0.509 175.510 176.117 -0.164 0.000 1.012 308 I CA -0.977 60.330 61.300 0.012 0.000 1.119 308 I CB 1.241 39.291 38.000 0.083 0.000 1.261 308 I HN -0.127 nan 8.210 nan 0.000 0.448 309 V N 5.409 125.128 119.914 -0.325 0.000 2.370 309 V HA 0.508 4.626 4.120 -0.003 0.000 0.279 309 V C -0.438 175.460 176.094 -0.327 0.000 1.029 309 V CA -0.142 61.833 62.300 -0.542 0.000 0.870 309 V CB 1.469 32.605 31.823 -1.145 0.000 0.984 309 V HN 0.645 nan 8.190 nan 0.000 0.451 310 D N 2.036 122.301 120.400 -0.225 0.000 2.663 310 D HA 0.216 4.855 4.640 -0.003 0.000 0.233 310 D C -0.046 176.220 176.300 -0.057 0.000 1.240 310 D CA -0.412 53.516 54.000 -0.121 0.000 0.774 310 D CB 2.300 43.057 40.800 -0.072 0.000 1.443 310 D HN 0.586 nan 8.370 nan 0.000 0.441 311 D N 0.599 120.991 120.400 -0.013 0.000 2.363 311 D HA 0.032 4.671 4.640 -0.003 0.000 0.220 311 D C 1.280 177.679 176.300 0.166 0.000 0.994 311 D CA 0.288 54.323 54.000 0.059 0.000 0.890 311 D CB -0.369 40.441 40.800 0.017 0.000 0.906 311 D HN 0.527 nan 8.370 nan 0.000 0.530 312 I N -2.369 118.260 120.570 0.097 0.000 2.934 312 I HA 0.438 4.606 4.170 -0.003 0.000 0.315 312 I C 0.050 176.210 176.117 0.071 0.000 0.997 312 I CA -1.131 60.246 61.300 0.129 0.000 1.184 312 I CB 1.058 39.098 38.000 0.066 0.000 1.400 312 I HN -0.282 nan 8.210 nan 0.000 0.549 313 E N 1.235 121.461 120.200 0.043 0.000 2.267 313 E HA 0.634 4.982 4.350 -0.003 0.000 0.258 313 E C -0.075 176.515 176.600 -0.017 0.000 1.074 313 E CA -0.394 55.988 56.400 -0.031 0.000 0.915 313 E CB 1.043 30.698 29.700 -0.075 0.000 1.186 313 E HN 1.105 nan 8.360 nan 0.000 0.439 314 G N 0.553 109.337 108.800 -0.028 0.000 2.758 314 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.686 314 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.686 314 G C -0.684 174.213 174.900 -0.005 0.000 1.389 314 G CA -0.786 44.305 45.100 -0.015 0.000 0.845 314 G HN 0.421 nan 8.290 nan 0.000 0.572 315 R N -0.504 120.000 120.500 0.007 0.000 2.640 315 R HA 0.288 4.626 4.340 -0.003 0.000 0.270 315 R C 1.101 177.413 176.300 0.020 0.000 1.024 315 R CA 0.509 56.623 56.100 0.023 0.000 1.085 315 R CB 0.167 30.496 30.300 0.049 0.000 0.963 315 R HN 0.477 nan 8.270 nan 0.000 0.426 316 L N 0.592 121.825 121.223 0.016 0.000 3.039 316 L HA 0.158 4.496 4.340 -0.003 0.000 0.269 316 L C 0.046 176.908 176.870 -0.012 0.000 1.169 316 L CA -0.164 54.680 54.840 0.006 0.000 0.986 316 L CB 0.453 42.517 42.059 0.009 0.000 1.377 316 L HN 0.511 nan 8.230 nan 0.000 0.575 317 D N 1.810 122.194 120.400 -0.027 0.000 2.428 317 D HA 0.192 4.830 4.640 -0.003 0.000 0.221 317 D C -1.728 174.429 176.300 -0.239 0.000 1.123 317 D CA -2.008 51.925 54.000 -0.113 0.000 0.869 317 D CB 1.577 42.304 40.800 -0.121 0.000 1.032 317 D HN -0.083 nan 8.370 nan 0.000 0.506 318 P HA 0.050 nan 4.420 nan 0.000 0.229 318 P C 0.765 177.577 177.300 -0.813 0.000 1.160 318 P CA 0.414 63.253 63.100 -0.434 0.000 0.777 318 P CB 0.313 31.890 31.700 -0.206 0.000 0.814 319 A N -0.822 121.653 122.820 -0.575 0.000 2.208 319 A HA -0.053 4.265 4.320 -0.003 0.000 0.209 319 A C 0.229 177.457 177.584 -0.594 0.000 1.161 319 A CA 0.154 51.860 52.037 -0.551 0.000 0.782 319 A CB -1.153 17.612 19.000 -0.392 0.000 0.816 319 A HN 0.257 nan 8.150 nan 0.000 0.477 320 H N -0.516 118.435 119.070 -0.199 0.000 2.756 320 H HA -0.161 4.394 4.556 -0.002 0.000 0.315 320 H C -0.570 174.648 175.328 -0.182 0.000 1.210 320 H CA 0.971 56.928 56.048 -0.152 0.000 1.150 320 H CB -2.560 27.130 29.762 -0.121 0.000 1.463 320 H HN 0.782 nan 8.280 nan 0.000 0.427 321 H N 0.375 119.370 119.070 -0.126 0.000 2.771 321 H HA 0.176 4.732 4.556 -0.000 0.000 0.364 321 H C 1.277 176.612 175.328 0.011 0.000 1.133 321 H CA -0.055 55.940 56.048 -0.088 0.000 1.423 321 H CB 0.613 30.270 29.762 -0.175 0.000 1.425 321 H HN 0.296 nan 8.280 nan 0.000 0.606 322 R N 1.498 122.092 120.500 0.157 0.000 2.484 322 R HA 0.303 4.642 4.340 -0.003 0.000 0.293 322 R C 0.150 176.564 176.300 0.191 0.000 1.023 322 R CA 0.869 57.051 56.100 0.138 0.000 1.037 322 R CB -0.332 30.035 30.300 0.111 0.000 0.951 322 R HN 0.925 nan 8.270 nan 0.000 0.418 323 G N 3.266 112.168 108.800 0.171 0.000 2.512 323 G HA2 0.149 4.107 3.960 -0.003 0.000 0.181 323 G HA3 0.149 4.107 3.960 -0.003 0.000 0.181 323 G C -1.497 173.469 174.900 0.110 0.000 1.173 323 G CA -0.863 44.366 45.100 0.214 0.000 0.988 323 G HN 0.504 nan 8.290 nan 0.000 0.485 324 R N -0.285 120.254 120.500 0.066 0.000 2.628 324 R HA 0.659 4.997 4.340 -0.003 0.000 0.288 324 R C -1.235 175.002 176.300 -0.104 0.000 0.980 324 R CA -1.006 54.999 56.100 -0.158 0.000 0.891 324 R CB 2.587 32.507 30.300 -0.633 0.000 1.188 324 R HN 0.431 nan 8.270 nan 0.000 0.450 325 R N 3.485 123.924 120.500 -0.101 0.000 2.312 325 R HA 0.356 4.695 4.340 -0.003 0.000 0.310 325 R C -1.333 174.895 176.300 -0.120 0.000 1.064 325 R CA -0.284 55.769 56.100 -0.079 0.000 0.983 325 R CB 0.142 30.424 30.300 -0.031 0.000 1.139 325 R HN 0.550 nan 8.270 nan 0.000 0.536 326 L N 5.445 126.561 121.223 -0.177 0.000 2.295 326 L HA 0.583 4.921 4.340 -0.003 0.000 0.285 326 L C -0.075 176.695 176.870 -0.166 0.000 1.035 326 L CA -0.795 53.939 54.840 -0.177 0.000 0.806 326 L CB 1.668 43.576 42.059 -0.252 0.000 1.214 326 L HN 0.460 nan 8.230 nan 0.000 0.426 327 I N 3.218 123.742 120.570 -0.076 0.000 2.382 327 I HA 0.783 4.951 4.170 -0.003 0.000 0.286 327 I C -0.033 176.098 176.117 0.024 0.000 1.002 327 I CA -0.172 61.103 61.300 -0.042 0.000 1.135 327 I CB 1.649 39.623 38.000 -0.044 0.000 1.288 327 I HN 0.792 nan 8.210 nan 0.000 0.448 328 A N 5.554 128.391 122.820 0.028 0.000 2.567 328 A HA 0.303 4.621 4.320 -0.003 0.000 0.291 328 A C -1.288 176.331 177.584 0.059 0.000 1.048 328 A CA -0.793 51.301 52.037 0.095 0.000 0.661 328 A CB 1.223 20.359 19.000 0.227 0.000 1.288 328 A HN 0.688 nan 8.150 nan 0.000 0.424 329 N N 0.687 119.434 118.700 0.078 0.000 2.483 329 N HA 0.125 4.864 4.740 -0.003 0.000 0.264 329 N C 0.875 176.421 175.510 0.060 0.000 1.197 329 N CA -0.073 53.004 53.050 0.046 0.000 0.927 329 N CB 0.466 38.977 38.487 0.040 0.000 1.065 329 N HN 0.533 nan 8.380 nan 0.000 0.461 330 I N 3.614 124.186 120.570 0.003 0.000 2.127 330 I HA -0.312 3.857 4.170 -0.003 0.000 0.241 330 I C 2.413 178.539 176.117 0.015 0.000 1.075 330 I CA 1.488 62.777 61.300 -0.019 0.000 1.334 330 I CB -0.384 37.566 38.000 -0.084 0.000 1.040 330 I HN 0.694 nan 8.210 nan 0.000 0.405 331 A N 0.591 123.409 122.820 -0.002 0.000 1.917 331 A HA -0.295 4.023 4.320 -0.003 0.000 0.219 331 A C 1.929 179.523 177.584 0.017 0.000 1.182 331 A CA 2.456 54.490 52.037 -0.005 0.000 0.633 331 A CB -0.770 18.227 19.000 -0.004 0.000 0.819 331 A HN 0.394 nan 8.150 nan 0.000 0.448 332 D N -1.744 118.684 120.400 0.047 0.000 2.097 332 D HA -0.175 4.464 4.640 -0.003 0.000 0.195 332 D C 1.567 177.917 176.300 0.083 0.000 0.989 332 D CA 1.264 55.297 54.000 0.055 0.000 0.827 332 D CB -0.492 40.350 40.800 0.070 0.000 0.966 332 D HN 0.741 nan 8.370 nan 0.000 0.456 333 W N 1.152 122.419 121.300 -0.054 0.000 2.363 333 W HA -0.067 4.592 4.660 -0.003 0.000 0.296 333 W C 1.974 178.464 176.519 -0.048 0.000 1.212 333 W CA 1.007 58.344 57.345 -0.012 0.000 1.260 333 W CB -0.202 29.197 29.460 -0.101 0.000 1.131 333 W HN -0.068 nan 8.180 nan 0.000 0.530 334 L N 0.010 121.255 121.223 0.037 0.000 2.141 334 L HA -0.168 4.170 4.340 -0.003 0.000 0.209 334 L C 2.372 179.160 176.870 -0.137 0.000 1.094 334 L CA 1.303 55.998 54.840 -0.241 0.000 0.763 334 L CB -0.793 41.042 42.059 -0.373 0.000 0.908 334 L HN -0.031 nan 8.230 nan 0.000 0.437 335 E N -0.056 120.098 120.200 -0.078 0.000 2.208 335 E HA -0.186 4.163 4.350 -0.003 0.000 0.193 335 E C 2.019 178.556 176.600 -0.106 0.000 0.988 335 E CA 0.853 57.225 56.400 -0.047 0.000 0.828 335 E CB 0.054 29.738 29.700 -0.027 0.000 0.763 335 E HN 0.297 nan 8.360 nan 0.000 0.478 336 L N -0.040 121.042 121.223 -0.235 0.000 2.418 336 L HA -0.004 4.334 4.340 -0.003 0.000 0.218 336 L C 0.171 176.576 176.870 -0.775 0.000 1.125 336 L CA 1.394 55.967 54.840 -0.445 0.000 0.835 336 L CB 0.107 41.870 42.059 -0.493 0.000 0.953 336 L HN -0.022 nan 8.230 nan 0.000 0.454 337 H N -0.099 118.688 119.070 -0.472 0.000 2.386 337 H HA 0.367 4.921 4.556 -0.002 0.000 0.232 337 H C -2.437 172.855 175.328 -0.060 0.000 1.416 337 H CA -2.126 53.541 56.048 -0.635 0.000 1.285 337 H CB -0.222 28.500 29.762 -1.734 0.000 1.625 337 H HN 0.147 nan 8.280 nan 0.000 0.521 338 P HA 0.166 nan 4.420 nan 0.000 0.271 338 P C -0.101 177.521 177.300 0.536 0.000 1.233 338 P CA -0.264 63.084 63.100 0.414 0.000 0.789 338 P CB 1.183 33.023 31.700 0.232 0.000 0.951 339 A N 0.758 123.749 122.820 0.286 0.000 2.306 339 A HA 0.480 4.799 4.320 -0.003 0.000 0.330 339 A C -0.152 177.345 177.584 -0.145 0.000 1.146 339 A CA -0.529 51.448 52.037 -0.100 0.000 0.827 339 A CB 0.604 19.316 19.000 -0.480 0.000 1.178 339 A HN 0.593 nan 8.150 nan 0.000 0.490 340 E N 0.703 120.745 120.200 -0.263 0.000 2.256 340 E HA 0.277 4.626 4.350 -0.003 0.000 0.267 340 E C -0.825 175.651 176.600 -0.208 0.000 0.892 340 E CA -0.791 55.482 56.400 -0.211 0.000 0.775 340 E CB 1.430 30.986 29.700 -0.240 0.000 1.207 340 E HN 0.607 nan 8.360 nan 0.000 0.420 341 K N 3.260 123.575 120.400 -0.142 0.000 2.453 341 K HA 0.009 4.328 4.320 -0.003 0.000 0.280 341 K C -0.560 175.970 176.600 -0.118 0.000 1.045 341 K CA 0.791 57.007 56.287 -0.119 0.000 1.059 341 K CB 0.372 32.825 32.500 -0.079 0.000 0.901 341 K HN 0.375 nan 8.250 nan 0.000 0.475 342 R N 2.772 123.204 120.500 -0.114 0.000 2.740 342 R HA 0.092 4.430 4.340 -0.003 0.000 0.273 342 R C -1.215 175.070 176.300 -0.025 0.000 0.998 342 R CA -1.100 54.956 56.100 -0.074 0.000 0.900 342 R CB 1.474 31.723 30.300 -0.086 0.000 1.223 342 R HN 0.485 nan 8.270 nan 0.000 0.466 343 Q N 2.583 122.383 119.800 0.000 0.000 2.286 343 Q HA 0.097 4.435 4.340 -0.003 0.000 0.290 343 Q C -2.244 173.802 176.000 0.076 0.000 1.049 343 Q CA -0.814 55.002 55.803 0.022 0.000 0.923 343 Q CB 0.479 29.229 28.738 0.021 0.000 1.183 343 Q HN 0.169 nan 8.270 nan 0.000 0.383 344 P HA -0.057 nan 4.420 nan 0.000 0.268 344 P C 0.055 177.399 177.300 0.074 0.000 1.204 344 P CA 0.047 63.167 63.100 0.033 0.000 0.768 344 P CB 0.230 31.890 31.700 -0.067 0.000 0.842 345 W N 1.964 123.260 121.300 -0.007 0.000 2.704 345 W HA 0.135 4.793 4.660 -0.003 0.000 0.266 345 W C -0.697 175.791 176.519 -0.052 0.000 1.266 345 W CA -0.066 57.259 57.345 -0.034 0.000 1.377 345 W CB -1.185 28.248 29.460 -0.045 0.000 1.082 345 W HN 0.044 nan 8.180 nan 0.000 0.608 346 C N 2.688 121.612 119.300 -0.626 0.000 2.601 346 C HA 0.281 4.740 4.460 -0.003 0.000 0.409 346 C C 1.804 176.617 174.990 -0.295 0.000 1.293 346 C CA -0.161 58.509 59.018 -0.580 0.000 2.101 346 C CB 1.393 28.645 27.740 -0.814 0.000 2.639 346 C HN 0.201 nan 8.230 nan 0.000 0.592 347 V N 1.758 121.547 119.914 -0.209 0.000 3.137 347 V HA 0.024 4.143 4.120 -0.003 0.000 0.236 347 V C 2.008 178.004 176.094 -0.163 0.000 1.260 347 V CA 0.606 62.816 62.300 -0.150 0.000 1.244 347 V CB -0.415 31.361 31.823 -0.079 0.000 1.016 347 V HN 0.785 nan 8.190 nan 0.000 0.477 348 E N 0.714 120.818 120.200 -0.160 0.000 2.072 348 E HA -0.082 4.267 4.350 -0.003 0.000 0.191 348 E C 2.148 178.597 176.600 -0.251 0.000 0.985 348 E CA 1.290 57.595 56.400 -0.159 0.000 0.801 348 E CB -0.037 29.597 29.700 -0.110 0.000 0.750 348 E HN 0.519 nan 8.360 nan 0.000 0.452 349 I N 1.340 121.696 120.570 -0.356 0.000 2.202 349 I HA -0.186 3.982 4.170 -0.003 0.000 0.242 349 I C -0.712 175.026 176.117 -0.632 0.000 1.091 349 I CA 1.033 61.983 61.300 -0.583 0.000 1.368 349 I CB -1.062 36.505 38.000 -0.722 0.000 1.058 349 I HN 0.067 nan 8.210 nan 0.000 0.410 350 P HA -0.172 nan 4.420 nan 0.000 0.216 350 P C 1.455 178.579 177.300 -0.293 0.000 1.150 350 P CA 1.268 64.149 63.100 -0.366 0.000 0.837 350 P CB 0.003 31.544 31.700 -0.265 0.000 0.786 351 R N 0.114 120.467 120.500 -0.245 0.000 2.075 351 R HA -0.084 4.254 4.340 -0.003 0.000 0.230 351 R C 2.303 178.491 176.300 -0.188 0.000 1.140 351 R CA 1.541 57.535 56.100 -0.178 0.000 0.928 351 R CB -1.525 28.693 30.300 -0.136 0.000 0.834 351 R HN 0.058 nan 8.270 nan 0.000 0.429 352 L N 0.006 121.094 121.223 -0.225 0.000 1.997 352 L HA -0.270 4.068 4.340 -0.003 0.000 0.216 352 L C 2.563 179.304 176.870 -0.215 0.000 1.074 352 L CA 1.740 56.468 54.840 -0.187 0.000 0.763 352 L CB -0.855 41.095 42.059 -0.181 0.000 0.890 352 L HN 0.429 nan 8.230 nan 0.000 0.434 353 A N -0.773 121.753 122.820 -0.490 0.000 1.917 353 A HA -0.280 4.038 4.320 -0.003 0.000 0.219 353 A C 2.295 179.800 177.584 -0.131 0.000 1.182 353 A CA 2.079 53.866 52.037 -0.416 0.000 0.633 353 A CB -0.569 18.051 19.000 -0.632 0.000 0.819 353 A HN 0.492 nan 8.150 nan 0.000 0.448 354 E N -0.543 119.567 120.200 -0.151 0.000 2.106 354 E HA -0.197 4.151 4.350 -0.003 0.000 0.192 354 E C 2.243 178.814 176.600 -0.049 0.000 0.984 354 E CA 1.246 57.596 56.400 -0.085 0.000 0.806 354 E CB -0.120 29.524 29.700 -0.094 0.000 0.750 354 E HN 0.805 nan 8.360 nan 0.000 0.458 355 Q N 0.323 120.091 119.800 -0.053 0.000 2.119 355 Q HA -0.019 4.320 4.340 -0.003 0.000 0.201 355 Q C 1.167 177.166 176.000 -0.001 0.000 0.972 355 Q CA 0.687 56.474 55.803 -0.026 0.000 0.847 355 Q CB -0.130 28.592 28.738 -0.027 0.000 0.903 355 Q HN 0.115 nan 8.270 nan 0.000 0.433 359 A N 0.450 123.254 122.820 -0.026 0.000 1.933 359 A HA -0.117 4.202 4.320 -0.003 0.000 0.218 359 A C 1.850 179.393 177.584 -0.069 0.000 1.175 359 A CA 1.940 53.958 52.037 -0.030 0.000 0.628 359 A CB -0.476 18.517 19.000 -0.011 0.000 0.814 359 A HN 0.176 nan 8.150 nan 0.000 0.444 360 V N -0.016 119.831 119.914 -0.110 0.000 2.323 360 V HA -0.224 3.895 4.120 -0.003 0.000 0.244 360 V C 2.370 178.246 176.094 -0.364 0.000 1.041 360 V CA 1.778 63.930 62.300 -0.246 0.000 1.025 360 V CB -0.750 30.898 31.823 -0.292 0.000 0.656 360 V HN 0.558 nan 8.190 nan 0.000 0.451 361 I N 0.954 121.385 120.570 -0.232 0.000 2.248 361 I HA -0.312 3.856 4.170 -0.003 0.000 0.248 361 I C 2.653 178.738 176.117 -0.053 0.000 1.107 361 I CA 1.575 62.824 61.300 -0.085 0.000 1.373 361 I CB -0.544 37.466 38.000 0.016 0.000 1.055 361 I HN 0.307 nan 8.210 nan 0.000 0.418 362 A N 0.541 123.329 122.820 -0.053 0.000 2.024 362 A HA -0.170 4.149 4.320 -0.003 0.000 0.220 362 A C 1.994 179.569 177.584 -0.014 0.000 1.164 362 A CA 1.428 53.451 52.037 -0.025 0.000 0.643 362 A CB -0.340 18.649 19.000 -0.019 0.000 0.806 362 A HN 0.357 nan 8.150 nan 0.000 0.451 363 R N -0.485 119.990 120.500 -0.042 0.000 2.466 363 R HA 0.088 4.426 4.340 -0.003 0.000 0.279 363 R C 1.165 177.490 176.300 0.042 0.000 0.976 363 R CA 0.428 56.528 56.100 -0.001 0.000 1.081 363 R CB -0.094 30.197 30.300 -0.016 0.000 1.215 363 R HN 0.788 nan 8.270 nan 0.000 0.546 364 R N -0.048 120.478 120.500 0.043 0.000 2.280 364 R HA 0.017 4.355 4.340 -0.003 0.000 0.207 364 R C 0.314 176.712 176.300 0.163 0.000 1.043 364 R CA 0.842 57.012 56.100 0.115 0.000 1.006 364 R CB -0.014 30.361 30.300 0.124 0.000 0.885 364 R HN -0.046 nan 8.270 nan 0.000 0.467 365 D N 1.949 122.466 120.400 0.195 0.000 2.194 365 D HA 0.042 4.680 4.640 -0.003 0.000 0.204 365 D C 0.629 177.252 176.300 0.538 0.000 0.964 365 D CA 0.921 55.107 54.000 0.310 0.000 0.846 365 D CB -0.123 40.794 40.800 0.195 0.000 0.962 365 D HN 0.345 nan 8.370 nan 0.000 0.490 366 A N 0.702 123.755 122.820 0.388 0.000 2.511 366 A HA 0.005 4.324 4.320 -0.003 0.000 0.242 366 A C -0.140 177.715 177.584 0.453 0.000 1.069 366 A CA -0.169 52.071 52.037 0.338 0.000 0.763 366 A CB -0.270 18.855 19.000 0.208 0.000 1.001 366 A HN 0.076 nan 8.150 nan 0.000 0.498 367 F N 3.368 123.328 119.950 0.017 0.000 2.666 367 F HA 0.435 4.960 4.527 -0.002 0.000 0.362 367 F C 0.945 176.649 175.800 -0.160 0.000 1.190 367 F CA -0.074 57.733 58.000 -0.322 0.000 1.328 367 F CB -0.485 38.219 39.000 -0.494 0.000 1.682 367 F HN 0.574 nan 8.300 nan 0.000 0.623 368 G N 1.440 110.197 108.800 -0.071 0.000 2.685 368 G HA2 0.280 4.239 3.960 -0.003 0.000 0.298 368 G HA3 0.280 4.239 3.960 -0.003 0.000 0.298 368 G C 0.469 175.328 174.900 -0.068 0.000 1.277 368 G CA -0.416 44.632 45.100 -0.086 0.000 0.986 368 G HN 0.414 nan 8.290 nan 0.000 0.487 369 E N -0.452 119.711 120.200 -0.062 0.000 2.150 369 E HA -0.037 4.312 4.350 -0.003 0.000 0.193 369 E C 2.228 178.854 176.600 0.044 0.000 0.985 369 E CA 1.210 57.592 56.400 -0.030 0.000 0.814 369 E CB -0.110 29.567 29.700 -0.037 0.000 0.752 369 E HN 0.377 nan 8.360 nan 0.000 0.466 370 A N 1.382 124.236 122.820 0.057 0.000 1.877 370 A HA -0.250 4.068 4.320 -0.003 0.000 0.216 370 A C 2.181 179.852 177.584 0.146 0.000 1.186 370 A CA 1.835 53.919 52.037 0.077 0.000 0.620 370 A CB -0.514 18.519 19.000 0.055 0.000 0.822 370 A HN 0.216 nan 8.150 nan 0.000 0.443 371 Q N -0.352 119.573 119.800 0.208 0.000 2.084 371 Q HA -0.030 4.308 4.340 -0.003 0.000 0.202 371 Q C 2.067 178.288 176.000 0.368 0.000 0.978 371 Q CA 1.156 57.157 55.803 0.331 0.000 0.844 371 Q CB -0.424 28.610 28.738 0.492 0.000 0.898 371 Q HN 0.664 nan 8.270 nan 0.000 0.426 372 L N -0.104 121.345 121.223 0.377 0.000 1.990 372 L HA -0.277 4.061 4.340 -0.003 0.000 0.213 372 L C 2.092 179.082 176.870 0.201 0.000 1.072 372 L CA 1.702 56.733 54.840 0.319 0.000 0.755 372 L CB -0.654 41.481 42.059 0.127 0.000 0.889 372 L HN 0.348 nan 8.230 nan 0.000 0.432 373 A N -0.682 122.223 122.820 0.142 0.000 1.892 373 A HA -0.361 3.957 4.320 -0.003 0.000 0.218 373 A C 2.061 179.711 177.584 0.110 0.000 1.188 373 A CA 2.194 54.293 52.037 0.103 0.000 0.631 373 A CB -1.121 17.924 19.000 0.075 0.000 0.822 373 A HN 0.747 nan 8.150 nan 0.000 0.447 374 H N -0.220 118.875 119.070 0.041 0.000 2.352 374 H HA -0.033 4.521 4.556 -0.003 0.000 0.299 374 H C 1.814 177.128 175.328 -0.022 0.000 1.097 374 H CA 2.113 58.164 56.048 0.005 0.000 1.311 374 H CB -0.118 29.646 29.762 0.004 0.000 1.377 374 H HN 0.451 nan 8.280 nan 0.000 0.504 375 R N -0.606 119.770 120.500 -0.206 0.000 2.334 375 R HA 0.111 4.450 4.340 -0.003 0.000 0.216 375 R C 1.632 177.860 176.300 -0.119 0.000 0.905 375 R CA 0.250 56.162 56.100 -0.313 0.000 1.064 375 R CB 0.102 30.234 30.300 -0.281 0.000 1.046 375 R HN 0.249 nan 8.270 nan 0.000 0.508 376 I N 0.793 121.371 120.570 0.013 0.000 2.479 376 I HA -0.366 3.802 4.170 -0.003 0.000 0.258 376 I C 1.568 177.652 176.117 -0.055 0.000 1.165 376 I CA 1.066 62.436 61.300 0.116 0.000 1.422 376 I CB -0.166 37.879 38.000 0.074 0.000 1.087 376 I HN 0.264 nan 8.210 nan 0.000 0.441 377 C N 0.489 119.663 119.300 -0.210 0.000 2.413 377 C HA -0.172 4.286 4.460 -0.003 0.000 0.276 377 C C 2.176 176.935 174.990 -0.385 0.000 1.248 377 C CA 1.024 59.865 59.018 -0.296 0.000 1.742 377 C CB -1.304 26.266 27.740 -0.284 0.000 2.017 377 C HN 0.509 nan 8.230 nan 0.000 0.481 378 D N -0.390 119.683 120.400 -0.546 0.000 2.384 378 D HA -0.090 4.549 4.640 -0.003 0.000 0.222 378 D C 0.857 176.618 176.300 -0.899 0.000 0.976 378 D CA 1.202 54.746 54.000 -0.760 0.000 0.915 378 D CB -0.287 39.906 40.800 -1.012 0.000 0.896 378 D HN 0.647 nan 8.370 nan 0.000 0.523 379 Y N -0.408 119.695 120.300 -0.328 0.000 2.557 379 Y HA 0.303 4.851 4.550 -0.003 0.000 0.247 379 Y C 0.634 176.345 175.900 -0.316 0.000 1.164 379 Y CA -0.500 57.271 58.100 -0.548 0.000 1.218 379 Y CB 0.122 38.054 38.460 -0.881 0.000 1.210 379 Y HN -0.200 nan 8.280 nan 0.000 0.529 380 L N 4.732 125.833 121.223 -0.204 0.000 2.360 380 L HA 0.253 4.592 4.340 -0.003 0.000 0.276 380 L C -2.043 174.672 176.870 -0.257 0.000 1.121 380 L CA -1.927 52.779 54.840 -0.223 0.000 0.845 380 L CB 0.454 42.166 42.059 -0.579 0.000 1.143 380 L HN -0.086 nan 8.230 nan 0.000 0.452 381 P HA 0.021 nan 4.420 nan 0.000 0.268 381 P C -0.550 176.609 177.300 -0.234 0.000 1.205 381 P CA -0.144 62.530 63.100 -0.711 0.000 0.771 381 P CB 0.570 31.707 31.700 -0.939 0.000 0.858 382 E N 2.465 122.503 120.200 -0.271 0.000 2.366 382 E HA -0.024 4.325 4.350 -0.003 0.000 0.266 382 E C 0.174 176.724 176.600 -0.084 0.000 1.015 382 E CA 0.009 56.349 56.400 -0.100 0.000 0.906 382 E CB 0.055 29.691 29.700 -0.107 0.000 0.979 382 E HN 0.294 nan 8.360 nan 0.000 0.443 383 Q N 0.171 119.943 119.800 -0.047 0.000 2.463 383 Q HA -0.184 4.154 4.340 -0.003 0.000 0.299 383 Q C -0.142 175.777 176.000 -0.136 0.000 1.353 383 Q CA 1.164 56.905 55.803 -0.103 0.000 0.828 383 Q CB -2.018 26.679 28.738 -0.069 0.000 1.157 383 Q HN 0.782 nan 8.270 nan 0.000 0.436 384 G N -0.481 108.210 108.800 -0.181 0.000 3.209 384 G HA2 0.745 4.703 3.960 -0.003 0.000 0.236 384 G HA3 0.745 4.703 3.960 -0.003 0.000 0.236 384 G C -0.776 173.988 174.900 -0.227 0.000 1.329 384 G CA -0.578 44.461 45.100 -0.101 0.000 1.015 384 G HN 0.127 nan 8.290 nan 0.000 0.571 385 Q N -1.201 118.658 119.800 0.098 0.000 2.416 385 Q HA 0.598 4.936 4.340 -0.003 0.000 0.281 385 Q C -1.784 174.467 176.000 0.420 0.000 1.067 385 Q CA -0.861 55.077 55.803 0.224 0.000 0.809 385 Q CB 2.898 31.812 28.738 0.294 0.000 1.418 385 Q HN 0.429 nan 8.270 nan 0.000 0.411 386 L N 1.681 123.170 121.223 0.443 0.000 2.322 386 L HA 0.627 4.966 4.340 -0.003 0.000 0.281 386 L C -1.777 175.311 176.870 0.363 0.000 1.014 386 L CA -0.555 54.496 54.840 0.352 0.000 0.815 386 L CB 1.250 43.452 42.059 0.240 0.000 1.247 386 L HN 0.691 nan 8.230 nan 0.000 0.421 387 F N 5.999 126.069 119.950 0.201 0.000 2.402 387 F HA 0.655 5.180 4.527 -0.003 0.000 0.355 387 F C -0.924 174.937 175.800 0.101 0.000 1.123 387 F CA -0.669 57.428 58.000 0.163 0.000 1.021 387 F CB 1.270 40.340 39.000 0.117 0.000 1.160 387 F HN 0.250 nan 8.300 nan 0.000 0.451 388 V N 6.378 126.012 119.914 -0.468 0.000 2.439 388 V HA 0.568 4.686 4.120 -0.003 0.000 0.282 388 V C 0.857 176.671 176.094 -0.466 0.000 1.039 388 V CA -0.445 61.675 62.300 -0.300 0.000 0.913 388 V CB 0.800 32.507 31.823 -0.194 0.000 0.983 388 V HN 0.933 nan 8.190 nan 0.000 0.460 389 G N 3.472 112.181 108.800 -0.152 0.000 2.588 389 G HA2 0.251 4.210 3.960 -0.003 0.000 0.278 389 G HA3 0.251 4.210 3.960 -0.003 0.000 0.278 389 G C -0.001 174.840 174.900 -0.098 0.000 1.307 389 G CA -0.558 44.501 45.100 -0.068 0.000 1.016 389 G HN 0.642 nan 8.290 nan 0.000 0.503 390 N N -1.164 117.502 118.700 -0.058 0.000 2.514 390 N HA 0.381 5.119 4.740 -0.003 0.000 0.299 390 N C 0.997 176.476 175.510 -0.052 0.000 1.292 390 N CA 0.214 53.228 53.050 -0.061 0.000 0.963 390 N CB 0.808 39.266 38.487 -0.049 0.000 1.124 390 N HN 0.661 nan 8.380 nan 0.000 0.580 391 S N -0.958 114.705 115.700 -0.061 0.000 3.949 391 S HA -0.254 4.214 4.470 -0.003 0.000 0.626 391 S C 1.094 175.646 174.600 -0.080 0.000 2.168 391 S CA 0.950 59.099 58.200 -0.085 0.000 4.124 391 S CB -1.238 61.909 63.200 -0.087 0.000 0.220 391 S HN 0.438 nan 8.310 nan 0.000 0.750 392 L N 1.621 122.799 121.223 -0.077 0.000 2.217 392 L HA 0.131 4.470 4.340 -0.003 0.000 0.211 392 L C 2.516 179.360 176.870 -0.043 0.000 1.107 392 L CA 2.211 57.013 54.840 -0.063 0.000 0.783 392 L CB -0.901 41.123 42.059 -0.058 0.000 0.919 392 L HN 0.564 nan 8.230 nan 0.000 0.442 393 V N -1.537 118.355 119.914 -0.037 0.000 2.261 393 V HA -0.231 3.887 4.120 -0.003 0.000 0.246 393 V C 2.441 178.516 176.094 -0.031 0.000 1.047 393 V CA 1.985 64.270 62.300 -0.025 0.000 1.015 393 V CB -0.022 31.791 31.823 -0.017 0.000 0.642 393 V HN 0.259 nan 8.190 nan 0.000 0.446 394 V N 0.320 120.204 119.914 -0.050 0.000 2.287 394 V HA -0.308 3.810 4.120 -0.003 0.000 0.248 394 V C 2.723 178.788 176.094 -0.047 0.000 1.053 394 V CA 2.837 65.102 62.300 -0.058 0.000 1.027 394 V CB -0.621 31.154 31.823 -0.080 0.000 0.646 394 V HN 0.628 nan 8.190 nan 0.000 0.447 395 R N -0.833 119.638 120.500 -0.047 0.000 2.091 395 R HA -0.124 4.215 4.340 -0.003 0.000 0.238 395 R C 2.282 178.562 176.300 -0.034 0.000 1.136 395 R CA 2.073 58.147 56.100 -0.045 0.000 0.959 395 R CB -0.385 29.886 30.300 -0.050 0.000 0.856 395 R HN 0.491 nan 8.270 nan 0.000 0.437 396 L N 0.050 121.259 121.223 -0.023 0.000 2.027 396 L HA -0.163 4.175 4.340 -0.003 0.000 0.206 396 L C 2.309 179.184 176.870 0.008 0.000 1.074 396 L CA 1.227 56.064 54.840 -0.005 0.000 0.745 396 L CB -0.343 41.719 42.059 0.006 0.000 0.898 396 L HN 0.218 nan 8.230 nan 0.000 0.433 397 I N 0.062 120.634 120.570 0.004 0.000 2.179 397 I HA -0.335 3.834 4.170 -0.003 0.000 0.242 397 I C 2.232 178.347 176.117 -0.003 0.000 1.088 397 I CA 1.701 63.006 61.300 0.008 0.000 1.357 397 I CB -0.415 37.584 38.000 -0.003 0.000 1.051 397 I HN 0.326 nan 8.210 nan 0.000 0.409 398 D N 1.083 121.471 120.400 -0.020 0.000 2.104 398 D HA -0.211 4.427 4.640 -0.003 0.000 0.194 398 D C 2.091 178.373 176.300 -0.031 0.000 0.994 398 D CA 1.775 55.757 54.000 -0.030 0.000 0.830 398 D CB 0.077 40.851 40.800 -0.044 0.000 0.959 398 D HN 0.323 nan 8.370 nan 0.000 0.452 399 A N -0.701 122.101 122.820 -0.030 0.000 1.970 399 A HA 0.120 4.439 4.320 -0.003 0.000 0.216 399 A C 2.159 179.739 177.584 -0.006 0.000 1.170 399 A CA 0.786 52.801 52.037 -0.037 0.000 0.645 399 A CB -0.185 18.789 19.000 -0.043 0.000 0.816 399 A HN 0.376 nan 8.150 nan 0.000 0.447 400 L N -1.020 120.218 121.223 0.026 0.000 2.717 400 L HA 0.166 4.505 4.340 -0.003 0.000 0.239 400 L C 1.123 178.090 176.870 0.161 0.000 1.086 400 L CA 0.512 55.392 54.840 0.067 0.000 0.897 400 L CB 0.255 42.353 42.059 0.065 0.000 1.214 400 L HN 0.414 nan 8.230 nan 0.000 0.508 401 S N -0.697 115.063 115.700 0.100 0.000 2.704 401 S HA 0.406 4.874 4.470 -0.003 0.000 0.305 401 S C -0.487 174.129 174.600 0.026 0.000 1.107 401 S CA -0.537 57.707 58.200 0.073 0.000 0.993 401 S CB 2.268 65.469 63.200 0.002 0.000 1.110 401 S HN 0.153 nan 8.310 nan 0.000 0.534 402 Q N 1.728 121.523 119.800 -0.010 0.000 2.558 402 Q HA 0.420 4.759 4.340 -0.003 0.000 0.252 402 Q C -1.205 174.764 176.000 -0.053 0.000 1.015 402 Q CA -0.473 55.321 55.803 -0.017 0.000 0.720 402 Q CB 0.435 29.169 28.738 -0.007 0.000 1.215 402 Q HN 0.753 nan 8.270 nan 0.000 0.500 403 L N 4.528 125.720 121.223 -0.052 0.000 2.461 403 L HA 0.353 4.692 4.340 -0.003 0.000 0.272 403 L C -1.809 175.028 176.870 -0.055 0.000 1.197 403 L CA -1.719 53.074 54.840 -0.078 0.000 0.836 403 L CB -0.068 41.953 42.059 -0.063 0.000 1.105 403 L HN 0.464 nan 8.230 nan 0.000 0.477 404 P HA 0.113 nan 4.420 nan 0.000 0.275 404 P C -0.658 176.660 177.300 0.030 0.000 1.227 404 P CA -0.472 62.613 63.100 -0.025 0.000 0.781 404 P CB 0.887 32.566 31.700 -0.036 0.000 0.906 405 A N 2.397 125.231 122.820 0.023 0.000 2.565 405 A HA 0.375 4.693 4.320 -0.003 0.000 0.237 405 A C 1.570 179.181 177.584 0.045 0.000 1.053 405 A CA 0.859 52.913 52.037 0.029 0.000 0.755 405 A CB -1.476 17.537 19.000 0.021 0.000 0.980 405 A HN 0.921 nan 8.150 nan 0.000 0.506 406 G N 0.521 109.341 108.800 0.034 0.000 2.205 406 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.261 406 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.261 406 G C 0.176 175.083 174.900 0.013 0.000 0.980 406 G CA 0.686 45.795 45.100 0.014 0.000 0.632 406 G HN 1.314 nan 8.290 nan 0.000 0.533 407 Y N 2.857 123.126 120.300 -0.051 0.000 2.480 407 Y HA 0.483 5.031 4.550 -0.003 0.000 0.341 407 Y C -1.812 174.042 175.900 -0.077 0.000 1.031 407 Y CA -1.881 56.187 58.100 -0.053 0.000 1.295 407 Y CB 1.051 39.479 38.460 -0.052 0.000 1.162 407 Y HN 0.056 nan 8.280 nan 0.000 0.523 408 P HA 0.002 nan 4.420 nan 0.000 0.262 408 P C -1.198 175.999 177.300 -0.172 0.000 1.199 408 P CA 0.331 63.289 63.100 -0.237 0.000 0.763 408 P CB 0.629 32.228 31.700 -0.168 0.000 0.790 409 V N 5.678 125.379 119.914 -0.356 0.000 2.540 409 V HA 0.428 4.547 4.120 -0.003 0.000 0.302 409 V C -0.561 175.228 176.094 -0.509 0.000 1.035 409 V CA -0.424 61.730 62.300 -0.243 0.000 0.873 409 V CB 1.097 32.856 31.823 -0.106 0.000 0.992 409 V HN 0.404 nan 8.190 nan 0.000 0.428 410 Y N 1.973 122.281 120.300 0.013 0.000 2.536 410 Y HA 0.799 5.348 4.550 -0.003 0.000 0.347 410 Y C 0.376 176.099 175.900 -0.295 0.000 1.000 410 Y CA -0.587 57.506 58.100 -0.012 0.000 1.051 410 Y CB 2.535 41.100 38.460 0.176 0.000 1.259 410 Y HN 0.724 nan 8.280 nan 0.000 0.468 411 S N 0.292 115.907 115.700 -0.140 0.000 2.587 411 S HA 0.444 4.912 4.470 -0.003 0.000 0.269 411 S C -1.854 172.671 174.600 -0.124 0.000 1.154 411 S CA -1.209 56.717 58.200 -0.456 0.000 0.824 411 S CB 1.440 64.458 63.200 -0.304 0.000 1.118 411 S HN 0.505 nan 8.310 nan 0.000 0.462 412 N N 0.548 119.189 118.700 -0.099 0.000 2.955 412 N HA 0.425 5.164 4.740 -0.003 0.000 0.242 412 N C -0.111 175.389 175.510 -0.016 0.000 1.123 412 N CA -0.250 52.821 53.050 0.035 0.000 0.949 412 N CB 0.881 39.436 38.487 0.114 0.000 1.214 412 N HN 0.550 nan 8.380 nan 0.000 0.504 413 R N -0.141 120.345 120.500 -0.023 0.000 2.509 413 R HA 0.317 4.656 4.340 -0.003 0.000 0.300 413 R C 1.561 177.853 176.300 -0.013 0.000 0.985 413 R CA -0.134 55.947 56.100 -0.033 0.000 1.092 413 R CB 0.139 30.407 30.300 -0.053 0.000 1.237 413 R HN 0.476 nan 8.270 nan 0.000 0.546 414 G N -0.287 108.514 108.800 0.001 0.000 2.616 414 G HA2 -0.176 3.783 3.960 -0.003 0.000 0.215 414 G HA3 -0.176 3.783 3.960 -0.003 0.000 0.215 414 G C 1.042 175.943 174.900 0.003 0.000 1.284 414 G CA 0.674 45.777 45.100 0.005 0.000 0.823 414 G HN 0.335 nan 8.290 nan 0.000 0.569 415 A N -0.772 122.049 122.820 0.002 0.000 2.275 415 A HA 0.493 4.812 4.320 -0.003 0.000 0.212 415 A C 1.457 179.038 177.584 -0.005 0.000 1.201 415 A CA 1.158 53.193 52.037 -0.003 0.000 0.843 415 A CB -0.135 18.856 19.000 -0.015 0.000 0.873 415 A HN 0.835 nan 8.150 nan 0.000 0.492 416 S N -0.673 115.023 115.700 -0.008 0.000 3.581 416 S HA -0.155 4.314 4.470 -0.003 0.000 0.354 416 S C 0.879 175.466 174.600 -0.022 0.000 1.059 416 S CA 0.388 58.578 58.200 -0.017 0.000 1.060 416 S CB -1.890 61.300 63.200 -0.018 0.000 0.908 416 S HN 1.380 nan 8.310 nan 0.000 0.475 417 G N 0.663 109.446 108.800 -0.027 0.000 2.491 417 G HA2 0.414 4.372 3.960 -0.003 0.000 0.238 417 G HA3 0.414 4.372 3.960 -0.003 0.000 0.238 417 G C 0.779 175.607 174.900 -0.120 0.000 1.277 417 G CA -0.191 44.868 45.100 -0.068 0.000 0.851 417 G HN 0.868 nan 8.290 nan 0.000 0.573 418 I N -0.860 119.602 120.570 -0.180 0.000 3.891 418 I HA 0.233 4.401 4.170 -0.003 0.000 0.331 418 I C 0.862 176.626 176.117 -0.588 0.000 1.406 418 I CA -0.225 60.946 61.300 -0.215 0.000 1.139 418 I CB 0.503 38.484 38.000 -0.031 0.000 1.056 418 I HN 0.357 nan 8.210 nan 0.000 0.399 419 D N 1.425 121.348 120.400 -0.795 0.000 2.333 419 D HA 0.031 4.670 4.640 -0.003 0.000 0.208 419 D C 1.423 177.307 176.300 -0.693 0.000 0.984 419 D CA 0.831 54.126 54.000 -1.175 0.000 0.873 419 D CB 0.151 40.441 40.800 -0.850 0.000 0.935 419 D HN 0.423 nan 8.370 nan 0.000 0.521 420 G N 0.202 108.526 108.800 -0.794 0.000 4.773 420 G HA2 0.283 4.241 3.960 -0.003 0.000 0.269 420 G HA3 0.283 4.241 3.960 -0.003 0.000 0.269 420 G C 0.983 175.527 174.900 -0.593 0.000 0.992 420 G CA -0.324 44.102 45.100 -1.122 0.000 0.775 420 G HN 0.125 nan 8.290 nan 0.000 0.471 421 L N -0.070 120.972 121.223 -0.302 0.000 2.023 421 L HA 0.043 4.382 4.340 -0.003 0.000 0.205 421 L C 2.781 179.497 176.870 -0.257 0.000 1.073 421 L CA 0.959 55.738 54.840 -0.102 0.000 0.745 421 L CB -0.358 41.754 42.059 0.088 0.000 0.900 421 L HN 0.223 nan 8.230 nan 0.000 0.435 422 L N -0.260 120.835 121.223 -0.213 0.000 1.989 422 L HA -0.225 4.113 4.340 -0.003 0.000 0.211 422 L C 2.897 179.580 176.870 -0.312 0.000 1.071 422 L CA 1.791 56.486 54.840 -0.243 0.000 0.749 422 L CB -0.996 40.964 42.059 -0.165 0.000 0.890 422 L HN 0.391 nan 8.230 nan 0.000 0.431 423 S N -1.370 114.153 115.700 -0.293 0.000 2.382 423 S HA -0.170 4.299 4.470 -0.003 0.000 0.228 423 S C 1.942 176.368 174.600 -0.289 0.000 1.027 423 S CA 1.604 59.625 58.200 -0.299 0.000 0.991 423 S CB -0.911 62.139 63.200 -0.250 0.000 0.823 423 S HN 0.371 nan 8.310 nan 0.000 0.469 424 T N 3.039 117.420 114.554 -0.289 0.000 2.652 424 T HA -0.009 4.339 4.350 -0.003 0.000 0.267 424 T C 2.274 176.659 174.700 -0.526 0.000 1.039 424 T CA 1.540 63.463 62.100 -0.296 0.000 1.153 424 T CB -0.984 67.778 68.868 -0.176 0.000 0.863 424 T HN 0.624 nan 8.240 nan 0.000 0.428 425 A N 1.684 123.985 122.820 -0.864 0.000 1.927 425 A HA -0.039 4.279 4.320 -0.003 0.000 0.220 425 A C 2.672 179.993 177.584 -0.439 0.000 1.185 425 A CA 2.244 53.761 52.037 -0.865 0.000 0.639 425 A CB -1.284 17.253 19.000 -0.771 0.000 0.820 425 A HN 0.545 nan 8.150 nan 0.000 0.451 426 A N -0.741 121.864 122.820 -0.360 0.000 1.917 426 A HA 0.045 4.363 4.320 -0.003 0.000 0.219 426 A C 2.437 179.860 177.584 -0.268 0.000 1.182 426 A CA 2.179 54.055 52.037 -0.269 0.000 0.633 426 A CB -1.408 17.428 19.000 -0.272 0.000 0.819 426 A HN 0.823 nan 8.150 nan 0.000 0.448 427 G N -0.866 107.748 108.800 -0.309 0.000 2.403 427 G HA2 -0.034 3.925 3.960 -0.003 0.000 0.216 427 G HA3 -0.034 3.925 3.960 -0.003 0.000 0.216 427 G C 1.488 176.204 174.900 -0.308 0.000 1.154 427 G CA 1.044 45.945 45.100 -0.332 0.000 0.784 427 G HN 0.313 nan 8.290 nan 0.000 0.538 428 V N 1.544 121.274 119.914 -0.307 0.000 2.324 428 V HA -0.280 3.839 4.120 -0.003 0.000 0.250 428 V C 2.907 178.857 176.094 -0.240 0.000 1.060 428 V CA 2.604 64.711 62.300 -0.322 0.000 1.042 428 V CB -0.439 31.207 31.823 -0.295 0.000 0.650 428 V HN 0.669 nan 8.190 nan 0.000 0.450 429 Q N 0.362 120.061 119.800 -0.168 0.000 2.163 429 Q HA -0.100 4.239 4.340 -0.003 0.000 0.198 429 Q C 2.126 178.081 176.000 -0.073 0.000 0.954 429 Q CA 1.429 57.182 55.803 -0.083 0.000 0.851 429 Q CB -0.498 28.225 28.738 -0.024 0.000 0.928 429 Q HN 0.446 nan 8.270 nan 0.000 0.459 430 R N 0.496 120.935 120.500 -0.102 0.000 2.096 430 R HA -0.074 4.264 4.340 -0.003 0.000 0.240 430 R C 2.395 178.661 176.300 -0.057 0.000 1.139 430 R CA 1.885 57.950 56.100 -0.058 0.000 0.952 430 R CB -0.763 29.486 30.300 -0.084 0.000 0.854 430 R HN 0.478 nan 8.270 nan 0.000 0.436 431 A N -0.017 122.706 122.820 -0.163 0.000 1.933 431 A HA -0.193 4.125 4.320 -0.003 0.000 0.218 431 A C 2.100 179.666 177.584 -0.031 0.000 1.175 431 A CA 2.091 54.042 52.037 -0.143 0.000 0.628 431 A CB -0.461 18.401 19.000 -0.231 0.000 0.814 431 A HN 0.486 nan 8.150 nan 0.000 0.444 432 S N -2.795 112.874 115.700 -0.051 0.000 2.483 432 S HA 0.384 4.853 4.470 -0.003 0.000 0.221 432 S C 1.537 176.142 174.600 0.008 0.000 1.030 432 S CA 1.184 59.374 58.200 -0.016 0.000 0.925 432 S CB -0.188 62.995 63.200 -0.029 0.000 0.795 432 S HN 1.929 nan 8.310 nan 0.000 0.511 433 G N 1.686 110.493 108.800 0.012 0.000 2.155 433 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.257 433 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.257 433 G C -0.048 174.871 174.900 0.032 0.000 0.983 433 G CA 0.532 45.650 45.100 0.030 0.000 0.676 433 G HN 0.600 nan 8.290 nan 0.000 0.528 434 K N 1.049 121.464 120.400 0.025 0.000 2.118 434 K HA 0.397 4.715 4.320 -0.003 0.000 0.264 434 K C -2.208 174.434 176.600 0.069 0.000 1.000 434 K CA -1.770 54.535 56.287 0.029 0.000 0.929 434 K CB 1.085 33.590 32.500 0.009 0.000 1.021 434 K HN 0.026 nan 8.250 nan 0.000 0.463 435 P HA -0.032 nan 4.420 nan 0.000 0.264 435 P C -0.809 176.600 177.300 0.181 0.000 1.193 435 P CA 0.245 63.436 63.100 0.152 0.000 0.763 435 P CB 0.443 32.140 31.700 -0.006 0.000 0.810 436 T N 3.857 118.612 114.554 0.334 0.000 2.848 436 T HA 0.400 4.748 4.350 -0.003 0.000 0.285 436 T C -0.521 174.470 174.700 0.484 0.000 0.995 436 T CA -0.435 61.858 62.100 0.322 0.000 0.970 436 T CB 1.064 70.053 68.868 0.202 0.000 0.976 436 T HN 0.183 nan 8.240 nan 0.000 0.441 437 L N 3.630 125.140 121.223 0.478 0.000 2.282 437 L HA 0.838 5.176 4.340 -0.003 0.000 0.288 437 L C -0.335 176.744 176.870 0.347 0.000 1.033 437 L CA -0.388 54.740 54.840 0.481 0.000 0.807 437 L CB 0.433 42.809 42.059 0.528 0.000 1.209 437 L HN 0.778 nan 8.230 nan 0.000 0.423 438 A N 6.152 129.135 122.820 0.273 0.000 2.340 438 A HA 0.827 5.145 4.320 -0.003 0.000 0.331 438 A C -1.068 176.633 177.584 0.196 0.000 1.140 438 A CA -0.555 51.642 52.037 0.267 0.000 0.801 438 A CB 1.072 20.171 19.000 0.166 0.000 1.234 438 A HN 0.840 nan 8.150 nan 0.000 0.469 439 I N 1.471 122.159 120.570 0.197 0.000 2.692 439 I HA 0.706 4.874 4.170 -0.003 0.000 0.293 439 I C -1.833 174.334 176.117 0.083 0.000 1.200 439 I CA -0.600 60.763 61.300 0.106 0.000 1.036 439 I CB 2.035 40.092 38.000 0.095 0.000 1.258 439 I HN 0.526 nan 8.210 nan 0.000 0.421 440 V N 5.721 125.651 119.914 0.026 0.000 2.950 440 V HA 0.561 4.680 4.120 -0.003 0.000 0.295 440 V C 0.282 176.355 176.094 -0.034 0.000 1.297 440 V CA -0.192 62.116 62.300 0.013 0.000 0.962 440 V CB 1.996 33.831 31.823 0.020 0.000 1.081 440 V HN 0.919 nan 8.190 nan 0.000 0.432 441 G N 1.831 110.621 108.800 -0.018 0.000 2.651 441 G HA2 0.281 4.240 3.960 -0.003 0.000 0.260 441 G HA3 0.281 4.240 3.960 -0.003 0.000 0.260 441 G C 0.804 175.692 174.900 -0.020 0.000 1.216 441 G CA 0.494 45.586 45.100 -0.014 0.000 0.913 441 G HN 0.875 nan 8.290 nan 0.000 0.535 442 D N -0.367 120.050 120.400 0.028 0.000 2.117 442 D HA -0.151 4.487 4.640 -0.003 0.000 0.198 442 D C 2.350 178.791 176.300 0.235 0.000 0.982 442 D CA 0.678 54.758 54.000 0.133 0.000 0.828 442 D CB -0.204 40.754 40.800 0.263 0.000 0.967 442 D HN 0.325 nan 8.370 nan 0.000 0.464 443 L N 0.808 122.137 121.223 0.175 0.000 2.083 443 L HA -0.131 4.207 4.340 -0.003 0.000 0.209 443 L C 2.722 179.721 176.870 0.215 0.000 1.083 443 L CA 0.997 55.951 54.840 0.189 0.000 0.752 443 L CB -0.438 41.724 42.059 0.172 0.000 0.899 443 L HN 0.042 nan 8.230 nan 0.000 0.433 444 S N 0.220 116.013 115.700 0.156 0.000 2.356 444 S HA -0.159 4.309 4.470 -0.003 0.000 0.223 444 S C 2.196 176.872 174.600 0.126 0.000 1.032 444 S CA 1.296 59.571 58.200 0.125 0.000 1.005 444 S CB -0.256 62.973 63.200 0.049 0.000 0.867 444 S HN 0.510 nan 8.310 nan 0.000 0.449 445 A N 1.204 124.072 122.820 0.080 0.000 1.930 445 A HA 0.035 4.353 4.320 -0.003 0.000 0.217 445 A C 2.141 179.874 177.584 0.248 0.000 1.175 445 A CA 1.053 53.131 52.037 0.068 0.000 0.627 445 A CB -0.705 18.181 19.000 -0.190 0.000 0.815 445 A HN 0.430 nan 8.150 nan 0.000 0.443 446 L N -2.287 119.145 121.223 0.348 0.000 2.046 446 L HA -0.201 4.138 4.340 -0.003 0.000 0.208 446 L C 2.521 179.528 176.870 0.228 0.000 1.077 446 L CA 1.728 56.747 54.840 0.298 0.000 0.747 446 L CB -0.539 41.661 42.059 0.236 0.000 0.896 446 L HN 0.603 nan 8.230 nan 0.000 0.432 447 Y N 0.103 120.463 120.300 0.100 0.000 2.097 447 Y HA -0.312 4.236 4.550 -0.003 0.000 0.282 447 Y C 1.711 177.642 175.900 0.051 0.000 1.152 447 Y CA 1.534 59.673 58.100 0.065 0.000 1.136 447 Y CB 0.221 38.708 38.460 0.044 0.000 0.975 447 Y HN 0.126 nan 8.280 nan 0.000 0.498 448 D N -0.061 120.498 120.400 0.264 0.000 2.587 448 D HA 0.019 4.657 4.640 -0.003 0.000 0.233 448 D C 1.297 177.653 176.300 0.093 0.000 1.213 448 D CA -0.038 54.035 54.000 0.122 0.000 0.827 448 D CB -0.132 40.648 40.800 -0.034 0.000 1.006 448 D HN 0.302 nan 8.370 nan 0.000 0.490 449 L N 1.293 122.610 121.223 0.157 0.000 2.042 449 L HA -0.190 4.148 4.340 -0.003 0.000 0.210 449 L C 1.669 178.613 176.870 0.122 0.000 1.076 449 L CA 1.761 56.703 54.840 0.169 0.000 0.749 449 L CB -0.615 41.580 42.059 0.227 0.000 0.893 449 L HN 0.175 nan 8.230 nan 0.000 0.432 450 N N 0.049 118.847 118.700 0.164 0.000 2.573 450 N HA -0.086 4.653 4.740 -0.003 0.000 0.187 450 N C 1.493 176.979 175.510 -0.040 0.000 1.107 450 N CA 1.148 54.318 53.050 0.199 0.000 0.918 450 N CB -0.675 38.088 38.487 0.459 0.000 0.966 450 N HN 0.376 nan 8.380 nan 0.000 0.448 451 A N 1.002 123.748 122.820 -0.123 0.000 2.168 451 A HA 0.060 4.379 4.320 -0.003 0.000 0.215 451 A C 2.076 179.448 177.584 -0.352 0.000 1.152 451 A CA 0.694 52.557 52.037 -0.290 0.000 0.716 451 A CB -0.710 18.135 19.000 -0.258 0.000 0.794 451 A HN 0.490 nan 8.150 nan 0.000 0.465 452 L N -3.450 117.530 121.223 -0.407 0.000 2.551 452 L HA 0.111 4.450 4.340 -0.003 0.000 0.228 452 L C 2.210 178.679 176.870 -0.669 0.000 1.153 452 L CA 0.952 55.516 54.840 -0.459 0.000 0.851 452 L CB -1.219 40.693 42.059 -0.246 0.000 0.959 452 L HN 0.226 nan 8.230 nan 0.000 0.451 453 A N 1.975 124.277 122.820 -0.862 0.000 1.892 453 A HA -0.167 4.151 4.320 -0.003 0.000 0.218 453 A C 2.334 179.846 177.584 -0.120 0.000 1.188 453 A CA 1.951 53.785 52.037 -0.339 0.000 0.631 453 A CB -0.739 18.326 19.000 0.109 0.000 0.822 453 A HN 0.512 nan 8.150 nan 0.000 0.447 454 L N -0.865 120.229 121.223 -0.215 0.000 2.093 454 L HA -0.091 4.248 4.340 -0.003 0.000 0.208 454 L C 2.096 178.894 176.870 -0.119 0.000 1.085 454 L CA 0.712 55.444 54.840 -0.180 0.000 0.755 454 L CB -0.425 41.434 42.059 -0.333 0.000 0.904 454 L HN 0.332 nan 8.230 nan 0.000 0.435 455 L N -0.597 120.540 121.223 -0.142 0.000 2.622 455 L HA -0.078 4.261 4.340 -0.003 0.000 0.233 455 L C 2.337 179.191 176.870 -0.027 0.000 1.156 455 L CA 0.356 55.143 54.840 -0.089 0.000 0.866 455 L CB -0.379 41.619 42.059 -0.101 0.000 0.980 455 L HN 0.182 nan 8.230 nan 0.000 0.448 456 R N -0.320 120.179 120.500 -0.002 0.000 2.153 456 R HA -0.010 4.329 4.340 -0.003 0.000 0.218 456 R C 0.624 176.952 176.300 0.047 0.000 1.072 456 R CA 0.643 56.773 56.100 0.050 0.000 0.990 456 R CB 0.092 30.451 30.300 0.099 0.000 0.889 456 R HN 0.361 nan 8.270 nan 0.000 0.452 457 Q N 0.694 120.515 119.800 0.034 0.000 2.563 457 Q HA 0.302 4.640 4.340 -0.003 0.000 0.232 457 Q C -1.553 174.468 176.000 0.034 0.000 1.106 457 Q CA -0.260 55.570 55.803 0.045 0.000 0.913 457 Q CB 1.891 30.668 28.738 0.064 0.000 1.175 457 Q HN -0.058 nan 8.270 nan 0.000 0.540 458 V N 1.242 121.178 119.914 0.036 0.000 2.789 458 V HA 0.267 4.385 4.120 -0.003 0.000 0.311 458 V C 0.472 176.596 176.094 0.051 0.000 1.073 458 V CA -0.119 62.202 62.300 0.034 0.000 0.921 458 V CB 2.363 34.200 31.823 0.023 0.000 1.009 458 V HN 0.749 nan 8.190 nan 0.000 0.426 459 S N 3.596 119.329 115.700 0.055 0.000 2.540 459 S HA 0.690 5.158 4.470 -0.003 0.000 0.218 459 S C 0.204 174.846 174.600 0.070 0.000 0.977 459 S CA 0.353 58.590 58.200 0.061 0.000 0.918 459 S CB 0.448 63.684 63.200 0.060 0.000 0.806 459 S HN 1.531 nan 8.310 nan 0.000 0.496 460 A N 1.550 124.421 122.820 0.085 0.000 2.610 460 A HA 0.750 5.068 4.320 -0.003 0.000 0.291 460 A C -3.256 174.423 177.584 0.158 0.000 1.086 460 A CA -1.750 50.357 52.037 0.117 0.000 0.677 460 A CB 0.493 19.560 19.000 0.111 0.000 1.278 460 A HN 0.128 nan 8.150 nan 0.000 0.414 461 P HA 0.259 nan 4.420 nan 0.000 0.264 461 P C -0.796 176.700 177.300 0.327 0.000 1.193 461 P CA 0.411 63.669 63.100 0.263 0.000 0.763 461 P CB 0.576 32.527 31.700 0.418 0.000 0.810 462 L N 4.501 125.824 121.223 0.167 0.000 2.325 462 L HA 0.406 4.745 4.340 -0.003 0.000 0.281 462 L C -0.809 176.066 176.870 0.009 0.000 1.004 462 L CA -0.952 53.983 54.840 0.157 0.000 0.823 462 L CB 1.712 43.820 42.059 0.081 0.000 1.236 462 L HN 0.024 nan 8.230 nan 0.000 0.415 463 V N 5.859 125.768 119.914 -0.008 0.000 2.383 463 V HA 0.285 4.403 4.120 -0.003 0.000 0.275 463 V C -0.185 175.891 176.094 -0.029 0.000 1.036 463 V CA -0.499 61.701 62.300 -0.167 0.000 0.889 463 V CB 1.504 33.096 31.823 -0.385 0.000 0.985 463 V HN 0.551 nan 8.190 nan 0.000 0.459 464 L N 7.649 128.823 121.223 -0.081 0.000 2.264 464 L HA 0.559 4.897 4.340 -0.003 0.000 0.287 464 L C -0.269 176.548 176.870 -0.087 0.000 1.039 464 L CA 0.271 55.082 54.840 -0.047 0.000 0.829 464 L CB 0.663 42.689 42.059 -0.056 0.000 1.211 464 L HN 0.502 nan 8.230 nan 0.000 0.427 465 I N 5.847 126.389 120.570 -0.045 0.000 2.371 465 I HA 0.234 4.402 4.170 -0.003 0.000 0.290 465 I C -0.429 175.631 176.117 -0.094 0.000 1.028 465 I CA -0.627 60.629 61.300 -0.075 0.000 1.345 465 I CB 1.305 39.298 38.000 -0.013 0.000 1.407 465 I HN 0.256 nan 8.210 nan 0.000 0.501 466 V N 7.838 127.660 119.914 -0.153 0.000 2.294 466 V HA 0.162 4.281 4.120 -0.003 0.000 0.272 466 V C 0.249 176.250 176.094 -0.156 0.000 1.027 466 V CA -0.656 61.503 62.300 -0.234 0.000 0.823 466 V CB 1.335 32.850 31.823 -0.514 0.000 1.030 466 V HN 0.405 nan 8.190 nan 0.000 0.457 467 V N 4.795 124.647 119.914 -0.103 0.000 2.446 467 V HA 0.169 4.288 4.120 -0.003 0.000 0.276 467 V C 0.499 176.578 176.094 -0.026 0.000 1.030 467 V CA 0.056 62.318 62.300 -0.064 0.000 1.033 467 V CB 0.901 32.694 31.823 -0.050 0.000 0.993 467 V HN 0.850 nan 8.190 nan 0.000 0.477 468 N N 4.760 123.473 118.700 0.022 0.000 2.626 468 N HA 0.232 4.970 4.740 -0.003 0.000 0.242 468 N C 0.220 175.776 175.510 0.076 0.000 1.005 468 N CA -0.599 52.512 53.050 0.101 0.000 0.905 468 N CB 0.828 39.450 38.487 0.224 0.000 1.128 468 N HN 0.704 nan 8.380 nan 0.000 0.512 469 N N 2.092 120.827 118.700 0.058 0.000 2.234 469 N HA 0.120 4.858 4.740 -0.003 0.000 0.227 469 N C -0.307 175.235 175.510 0.054 0.000 1.151 469 N CA -0.385 52.692 53.050 0.045 0.000 0.865 469 N CB -0.184 38.319 38.487 0.027 0.000 1.066 469 N HN 0.337 nan 8.380 nan 0.000 0.515 470 N N 0.152 118.890 118.700 0.063 0.000 2.726 470 N HA -0.100 4.638 4.740 -0.003 0.000 0.253 470 N C -0.181 175.367 175.510 0.062 0.000 1.059 470 N CA 1.312 54.391 53.050 0.049 0.000 0.701 470 N CB -1.321 37.181 38.487 0.025 0.000 0.899 470 N HN 0.921 nan 8.380 nan 0.000 0.548 471 G N -1.911 106.940 108.800 0.085 0.000 2.340 471 G HA2 0.424 4.383 3.960 -0.003 0.000 0.527 471 G HA3 0.424 4.383 3.960 -0.003 0.000 0.527 471 G C 0.189 175.165 174.900 0.126 0.000 1.381 471 G CA 0.079 45.245 45.100 0.110 0.000 1.001 471 G HN 0.876 nan 8.290 nan 0.000 0.626 472 G N -0.009 108.905 108.800 0.189 0.000 2.852 472 G HA2 0.389 4.348 3.960 -0.003 0.000 0.280 472 G HA3 0.389 4.348 3.960 -0.003 0.000 0.280 472 G C 0.951 175.906 174.900 0.093 0.000 0.731 472 G CA 0.106 45.304 45.100 0.163 0.000 2.037 472 G HN 0.541 nan 8.290 nan 0.000 0.560 473 Q N 1.128 120.949 119.800 0.035 0.000 2.508 473 Q HA -0.070 4.268 4.340 -0.003 0.000 0.214 473 Q C 2.230 178.193 176.000 -0.061 0.000 0.979 473 Q CA 0.203 56.019 55.803 0.022 0.000 0.911 473 Q CB -0.036 28.714 28.738 0.019 0.000 0.969 473 Q HN 0.828 nan 8.270 nan 0.000 0.504 474 I N -0.290 120.153 120.570 -0.212 0.000 2.423 474 I HA -0.253 3.915 4.170 -0.003 0.000 0.254 474 I C 0.941 176.861 176.117 -0.329 0.000 1.151 474 I CA 0.929 62.036 61.300 -0.322 0.000 1.421 474 I CB 0.016 37.745 38.000 -0.451 0.000 1.079 474 I HN 0.047 nan 8.210 nan 0.000 0.431 475 F N -0.571 119.406 119.950 0.046 0.000 2.811 475 F HA 0.021 4.546 4.527 -0.003 0.000 0.301 475 F C 2.314 178.096 175.800 -0.030 0.000 1.151 475 F CA 0.069 58.077 58.000 0.014 0.000 1.412 475 F CB -0.279 38.774 39.000 0.087 0.000 1.113 475 F HN -0.038 nan 8.300 nan 0.000 0.579 476 S N 0.354 116.115 115.700 0.101 0.000 2.406 476 S HA -0.061 4.407 4.470 -0.003 0.000 0.224 476 S C 1.911 176.523 174.600 0.020 0.000 1.030 476 S CA 0.409 58.641 58.200 0.054 0.000 0.958 476 S CB -0.200 63.026 63.200 0.043 0.000 0.811 476 S HN 0.339 nan 8.310 nan 0.000 0.489 477 L N 2.052 123.274 121.223 -0.002 0.000 2.007 477 L HA 0.203 4.542 4.340 -0.003 0.000 0.205 477 L C 0.482 177.348 176.870 -0.008 0.000 1.073 477 L CA 1.336 56.168 54.840 -0.015 0.000 0.744 477 L CB -0.677 41.359 42.059 -0.037 0.000 0.898 477 L HN 0.194 nan 8.230 nan 0.000 0.435 478 L N 1.960 123.182 121.223 -0.002 0.000 2.506 478 L HA 0.075 4.413 4.340 -0.003 0.000 0.281 478 L C -1.489 175.381 176.870 0.001 0.000 1.228 478 L CA -1.013 53.837 54.840 0.017 0.000 0.850 478 L CB -0.195 41.907 42.059 0.071 0.000 1.110 478 L HN 0.206 nan 8.230 nan 0.000 0.496 479 P HA 0.004 nan 4.420 nan 0.000 0.249 479 P C 0.042 177.303 177.300 -0.064 0.000 1.686 479 P CA -0.258 62.827 63.100 -0.026 0.000 0.873 479 P CB -0.912 30.780 31.700 -0.013 0.000 1.828 480 T N -0.997 113.486 114.554 -0.119 0.000 2.900 480 T HA 0.262 4.611 4.350 -0.003 0.000 0.307 480 T C -2.057 172.526 174.700 -0.195 0.000 1.065 480 T CA -1.652 60.280 62.100 -0.280 0.000 1.105 480 T CB -0.340 68.153 68.868 -0.626 0.000 0.979 480 T HN 0.068 nan 8.240 nan 0.000 0.544 481 P HA 0.131 nan 4.420 nan 0.000 0.268 481 P C 0.452 177.725 177.300 -0.045 0.000 1.205 481 P CA -0.241 62.816 63.100 -0.072 0.000 0.771 481 P CB 0.896 32.580 31.700 -0.026 0.000 0.858 482 Q N 2.949 122.743 119.800 -0.010 0.000 2.020 482 Q HA -0.162 4.176 4.340 -0.003 0.000 0.202 482 Q C 2.049 178.075 176.000 0.043 0.000 0.982 482 Q CA 2.575 58.385 55.803 0.012 0.000 0.838 482 Q CB -0.808 27.938 28.738 0.014 0.000 0.899 482 Q HN 0.573 nan 8.270 nan 0.000 0.423 483 S N -0.365 115.366 115.700 0.052 0.000 2.555 483 S HA -0.054 4.415 4.470 -0.003 0.000 0.230 483 S C 0.794 175.470 174.600 0.126 0.000 0.978 483 S CA 0.876 59.120 58.200 0.073 0.000 0.934 483 S CB -0.100 63.134 63.200 0.057 0.000 0.766 483 S HN 0.566 nan 8.310 nan 0.000 0.533 484 E N 0.512 120.814 120.200 0.171 0.000 2.676 484 E HA 0.215 4.564 4.350 -0.003 0.000 0.222 484 E C 1.469 178.306 176.600 0.396 0.000 0.968 484 E CA -0.323 56.273 56.400 0.327 0.000 1.090 484 E CB -0.233 29.660 29.700 0.322 0.000 1.066 484 E HN 0.518 nan 8.360 nan 0.000 0.496 485 R N 1.965 122.610 120.500 0.241 0.000 2.070 485 R HA -0.107 4.231 4.340 -0.003 0.000 0.233 485 R C 2.151 178.578 176.300 0.212 0.000 1.137 485 R CA 1.878 58.108 56.100 0.217 0.000 0.945 485 R CB -0.001 30.340 30.300 0.069 0.000 0.845 485 R HN 0.109 nan 8.270 nan 0.000 0.430 486 E N -0.063 120.217 120.200 0.132 0.000 2.058 486 E HA -0.239 4.110 4.350 -0.003 0.000 0.194 486 E C 2.139 178.756 176.600 0.028 0.000 0.997 486 E CA 1.184 57.632 56.400 0.080 0.000 0.801 486 E CB 0.006 29.732 29.700 0.044 0.000 0.746 486 E HN 0.273 nan 8.360 nan 0.000 0.450 487 R N -0.871 119.615 120.500 -0.023 0.000 2.075 487 R HA -0.043 4.295 4.340 -0.003 0.000 0.226 487 R C 1.562 177.619 176.300 -0.404 0.000 1.114 487 R CA 0.995 56.927 56.100 -0.281 0.000 0.972 487 R CB 0.072 30.077 30.300 -0.493 0.000 0.869 487 R HN 0.131 nan 8.270 nan 0.000 0.437 488 F N -1.945 117.974 119.950 -0.052 0.000 2.678 488 F HA 0.217 4.743 4.527 -0.002 0.000 0.305 488 F C 0.619 176.124 175.800 -0.491 0.000 1.090 488 F CA -0.190 57.669 58.000 -0.236 0.000 1.272 488 F CB 0.518 39.352 39.000 -0.276 0.000 1.060 488 F HN -0.010 nan 8.300 nan 0.000 0.576 489 Y N -0.992 119.266 120.300 -0.069 0.000 3.183 489 Y HA 0.320 4.868 4.550 -0.003 0.000 0.200 489 Y C 1.140 176.988 175.900 -0.087 0.000 0.912 489 Y CA -0.561 57.335 58.100 -0.339 0.000 1.642 489 Y CB -0.351 37.877 38.460 -0.386 0.000 1.447 489 Y HN -0.370 nan 8.280 nan 0.000 0.421 493 Q N 0.300 120.094 119.800 -0.011 0.000 2.319 493 Q HA 0.108 4.447 4.340 -0.003 0.000 0.209 493 Q C -0.089 175.865 176.000 -0.076 0.000 0.884 493 Q CA 0.162 55.941 55.803 -0.039 0.000 0.938 493 Q CB 0.158 28.880 28.738 -0.026 0.000 1.098 493 Q HN 0.486 nan 8.270 nan 0.000 0.517 494 N N 0.562 119.212 118.700 -0.083 0.000 2.607 494 N HA -0.175 4.563 4.740 -0.003 0.000 0.285 494 N C -1.034 174.369 175.510 -0.178 0.000 1.151 494 N CA 0.467 53.444 53.050 -0.120 0.000 0.749 494 N CB -0.889 37.553 38.487 -0.075 0.000 0.923 494 N HN 0.012 nan 8.380 nan 0.000 0.552 495 V N 1.338 121.075 119.914 -0.294 0.000 3.178 495 V HA 0.456 4.574 4.120 -0.003 0.000 0.302 495 V C -0.489 175.273 176.094 -0.553 0.000 1.262 495 V CA -0.748 61.342 62.300 -0.349 0.000 1.030 495 V CB 2.731 34.352 31.823 -0.337 0.000 1.074 495 V HN 0.531 nan 8.190 nan 0.000 0.438 496 H N 1.897 120.831 119.070 -0.227 0.000 2.949 496 H HA 0.543 5.098 4.556 -0.003 0.000 0.310 496 H C -0.765 174.320 175.328 -0.405 0.000 1.405 496 H CA -0.415 55.553 56.048 -0.132 0.000 1.253 496 H CB 1.814 31.584 29.762 0.013 0.000 1.932 496 H HN 0.572 nan 8.280 nan 0.000 0.602 497 F N -0.523 119.515 119.950 0.147 0.000 2.746 497 F HA 0.095 4.620 4.527 -0.003 0.000 0.320 497 F C 2.136 177.733 175.800 -0.338 0.000 1.097 497 F CA -0.072 57.943 58.000 0.026 0.000 1.195 497 F CB 0.563 39.654 39.000 0.152 0.000 1.056 497 F HN 0.564 nan 8.300 nan 0.000 0.562 498 E N 0.598 120.379 120.200 -0.699 0.000 2.108 498 E HA -0.296 4.052 4.350 -0.003 0.000 0.203 498 E C 1.758 177.954 176.600 -0.674 0.000 1.022 498 E CA 2.231 57.850 56.400 -1.301 0.000 0.823 498 E CB -0.159 28.966 29.700 -0.958 0.000 0.744 498 E HN 0.453 nan 8.360 nan 0.000 0.456 499 H N -0.410 118.501 119.070 -0.264 0.000 2.363 499 H HA 0.016 4.570 4.556 -0.003 0.000 0.301 499 H C 2.125 177.395 175.328 -0.096 0.000 1.074 499 H CA 1.201 57.153 56.048 -0.161 0.000 1.354 499 H CB -0.421 29.262 29.762 -0.131 0.000 1.397 499 H HN 0.384 nan 8.280 nan 0.000 0.516 500 A N 1.649 124.519 122.820 0.083 0.000 1.851 500 A HA -0.187 4.131 4.320 -0.003 0.000 0.216 500 A C 2.753 180.472 177.584 0.226 0.000 1.195 500 A CA 2.255 54.407 52.037 0.193 0.000 0.622 500 A CB -1.129 18.050 19.000 0.298 0.000 0.831 500 A HN 0.434 nan 8.150 nan 0.000 0.444 501 A N 0.053 122.960 122.820 0.146 0.000 1.884 501 A HA 0.187 4.505 4.320 -0.003 0.000 0.219 501 A C 1.906 179.545 177.584 0.092 0.000 1.197 501 A CA 1.966 54.089 52.037 0.144 0.000 0.637 501 A CB -1.500 17.565 19.000 0.108 0.000 0.827 501 A HN 1.484 nan 8.150 nan 0.000 0.450 505 E N 1.500 121.771 120.200 0.119 0.000 2.228 505 E HA -0.201 4.147 4.350 -0.003 0.000 0.213 505 E C -0.804 175.852 176.600 0.093 0.000 1.282 505 E CA 0.417 56.863 56.400 0.078 0.000 0.707 505 E CB -1.075 28.662 29.700 0.062 0.000 1.150 505 E HN 0.385 nan 8.360 nan 0.000 0.362 506 L N 0.504 121.792 121.223 0.109 0.000 2.325 506 L HA 0.403 4.741 4.340 -0.003 0.000 0.278 506 L C 0.678 177.581 176.870 0.056 0.000 1.023 506 L CA -0.940 53.951 54.840 0.085 0.000 0.811 506 L CB 1.265 43.388 42.059 0.107 0.000 1.249 506 L HN -0.043 nan 8.230 nan 0.000 0.431 507 K N 1.781 122.188 120.400 0.012 0.000 2.414 507 K HA 0.206 4.524 4.320 -0.003 0.000 0.272 507 K C -1.178 175.400 176.600 -0.036 0.000 0.993 507 K CA 0.112 56.373 56.287 -0.044 0.000 0.964 507 K CB 0.520 32.970 32.500 -0.082 0.000 0.925 507 K HN 0.395 nan 8.250 nan 0.000 0.487 508 Y N 2.178 122.310 120.300 -0.279 0.000 2.470 508 Y HA 0.307 4.856 4.550 -0.003 0.000 0.341 508 Y C -1.046 174.592 175.900 -0.437 0.000 1.021 508 Y CA -0.740 57.214 58.100 -0.244 0.000 1.025 508 Y CB 1.362 39.744 38.460 -0.131 0.000 1.266 508 Y HN 0.605 nan 8.280 nan 0.000 0.448 509 H N 4.086 122.627 119.070 -0.881 0.000 2.907 509 H HA 0.557 5.111 4.556 -0.003 0.000 0.361 509 H C -1.083 173.717 175.328 -0.879 0.000 1.194 509 H CA -1.090 54.544 56.048 -0.690 0.000 1.152 509 H CB 2.484 32.013 29.762 -0.388 0.000 1.867 509 H HN 0.725 nan 8.280 nan 0.000 0.561 510 R N 1.905 122.243 120.500 -0.270 0.000 2.754 510 R HA 0.212 4.551 4.340 -0.003 0.000 0.255 510 R C -2.893 173.375 176.300 -0.054 0.000 1.723 510 R CA -1.334 54.666 56.100 -0.167 0.000 1.596 510 R CB 0.526 30.789 30.300 -0.061 0.000 1.424 510 R HN 0.314 nan 8.270 nan 0.000 0.662 511 P HA 0.050 nan 4.420 nan 0.000 0.271 511 P C -0.373 176.941 177.300 0.024 0.000 1.216 511 P CA -0.067 63.019 63.100 -0.024 0.000 0.771 511 P CB 1.338 33.042 31.700 0.007 0.000 0.864 512 Q N 1.368 121.077 119.800 -0.152 0.000 2.356 512 Q HA 0.099 4.437 4.340 -0.003 0.000 0.205 512 Q C 0.247 175.767 176.000 -0.801 0.000 0.901 512 Q CA 0.579 56.234 55.803 -0.247 0.000 0.938 512 Q CB -0.062 28.577 28.738 -0.165 0.000 1.081 512 Q HN 0.713 nan 8.270 nan 0.000 0.517 513 N N -3.159 114.860 118.700 -1.135 0.000 3.116 513 N HA 0.063 4.801 4.740 -0.003 0.000 0.244 513 N C -0.418 174.504 175.510 -0.980 0.000 1.485 513 N CA -0.754 51.353 53.050 -1.571 0.000 0.884 513 N CB -0.426 37.653 38.487 -0.680 0.000 1.415 513 N HN -0.123 nan 8.380 nan 0.000 0.524 514 W N -0.843 120.229 121.300 -0.381 0.000 2.321 514 W HA -0.155 4.503 4.660 -0.003 0.000 0.306 514 W C 2.345 178.903 176.519 0.065 0.000 1.217 514 W CA 1.436 58.829 57.345 0.080 0.000 1.257 514 W CB -0.226 29.331 29.460 0.162 0.000 1.145 514 W HN 0.718 nan 8.180 nan 0.000 0.509 515 Q N 1.155 121.063 119.800 0.180 0.000 2.084 515 Q HA -0.222 4.117 4.340 -0.003 0.000 0.202 515 Q C 1.741 177.781 176.000 0.067 0.000 0.978 515 Q CA 2.146 58.019 55.803 0.117 0.000 0.844 515 Q CB -0.405 28.364 28.738 0.052 0.000 0.898 515 Q HN 0.368 nan 8.270 nan 0.000 0.426 516 E N -0.579 119.610 120.200 -0.018 0.000 2.106 516 E HA -0.146 4.203 4.350 -0.003 0.000 0.192 516 E C 1.865 178.445 176.600 -0.034 0.000 0.984 516 E CA 0.950 57.313 56.400 -0.061 0.000 0.806 516 E CB -0.166 29.461 29.700 -0.122 0.000 0.750 516 E HN 0.324 nan 8.360 nan 0.000 0.458 517 L N 1.502 122.764 121.223 0.064 0.000 2.017 517 L HA -0.211 4.128 4.340 -0.003 0.000 0.208 517 L C 2.095 179.128 176.870 0.271 0.000 1.073 517 L CA 1.889 56.815 54.840 0.143 0.000 0.745 517 L CB -0.229 42.000 42.059 0.283 0.000 0.894 517 L HN 0.034 nan 8.230 nan 0.000 0.432 518 E N -1.336 119.076 120.200 0.354 0.000 2.085 518 E HA -0.230 4.118 4.350 -0.003 0.000 0.194 518 E C 1.967 178.711 176.600 0.241 0.000 0.994 518 E CA 1.929 58.559 56.400 0.383 0.000 0.801 518 E CB -0.096 29.783 29.700 0.299 0.000 0.743 518 E HN 0.552 nan 8.360 nan 0.000 0.453 519 T N 0.009 114.627 114.554 0.108 0.000 2.708 519 T HA -0.161 4.187 4.350 -0.003 0.000 0.266 519 T C 1.813 176.477 174.700 -0.060 0.000 1.037 519 T CA 1.258 63.370 62.100 0.019 0.000 1.146 519 T CB -0.305 68.539 68.868 -0.040 0.000 0.865 519 T HN 0.311 nan 8.240 nan 0.000 0.435 520 A N 0.628 123.336 122.820 -0.187 0.000 1.902 520 A HA -0.022 4.296 4.320 -0.003 0.000 0.217 520 A C 1.989 179.417 177.584 -0.259 0.000 1.181 520 A CA 1.336 53.138 52.037 -0.392 0.000 0.623 520 A CB -0.976 17.697 19.000 -0.546 0.000 0.818 520 A HN 0.432 nan 8.150 nan 0.000 0.443 521 F N 0.213 120.088 119.950 -0.125 0.000 2.075 521 F HA -0.127 4.398 4.527 -0.003 0.000 0.297 521 F C 2.843 178.553 175.800 -0.149 0.000 1.113 521 F CA 1.190 59.093 58.000 -0.161 0.000 1.218 521 F CB -0.716 38.368 39.000 0.140 0.000 0.984 521 F HN 0.260 nan 8.300 nan 0.000 0.472 522 A N -0.477 122.498 122.820 0.259 0.000 1.917 522 A HA -0.297 4.022 4.320 -0.003 0.000 0.219 522 A C 2.001 179.671 177.584 0.144 0.000 1.182 522 A CA 2.292 54.479 52.037 0.249 0.000 0.633 522 A CB -1.091 18.020 19.000 0.185 0.000 0.819 522 A HN 0.399 nan 8.150 nan 0.000 0.448 523 D N -0.469 119.958 120.400 0.044 0.000 2.117 523 D HA 0.001 4.640 4.640 -0.003 0.000 0.198 523 D C 2.111 178.403 176.300 -0.013 0.000 0.982 523 D CA 1.475 55.490 54.000 0.025 0.000 0.828 523 D CB -0.276 40.531 40.800 0.012 0.000 0.967 523 D HN 0.336 nan 8.370 nan 0.000 0.464 524 A N -0.208 122.518 122.820 -0.157 0.000 1.902 524 A HA -0.148 4.170 4.320 -0.003 0.000 0.217 524 A C 2.131 179.611 177.584 -0.174 0.000 1.181 524 A CA 1.296 53.158 52.037 -0.292 0.000 0.623 524 A CB -1.387 17.237 19.000 -0.627 0.000 0.818 524 A HN 0.482 nan 8.150 nan 0.000 0.443 525 W N -0.403 120.978 121.300 0.135 0.000 2.699 525 W HA 0.040 4.698 4.660 -0.003 0.000 0.249 525 W C 2.067 178.641 176.519 0.092 0.000 1.280 525 W CA 0.288 57.710 57.345 0.127 0.000 1.345 525 W CB 0.041 29.590 29.460 0.148 0.000 1.128 525 W HN 0.230 nan 8.180 nan 0.000 0.642 526 R N -0.201 120.447 120.500 0.246 0.000 2.313 526 R HA 0.055 4.393 4.340 -0.003 0.000 0.199 526 R C 0.619 176.999 176.300 0.133 0.000 0.958 526 R CA 0.699 56.902 56.100 0.172 0.000 1.047 526 R CB 0.023 30.398 30.300 0.125 0.000 0.955 526 R HN -0.148 nan 8.270 nan 0.000 0.481 527 T N 0.370 115.004 114.554 0.134 0.000 3.041 527 T HA 0.238 4.586 4.350 -0.003 0.000 0.321 527 T C -2.869 171.894 174.700 0.104 0.000 1.184 527 T CA -2.125 60.034 62.100 0.097 0.000 1.050 527 T CB 2.038 70.945 68.868 0.065 0.000 1.159 527 T HN -0.192 nan 8.240 nan 0.000 0.469 528 P HA 0.254 nan 4.420 nan 0.000 0.230 528 P C -0.324 177.018 177.300 0.071 0.000 1.791 528 P CA 0.038 63.193 63.100 0.091 0.000 1.020 528 P CB -0.955 30.791 31.700 0.078 0.000 1.977 529 T N -2.711 111.881 114.554 0.064 0.000 2.787 529 T HA 0.405 4.753 4.350 -0.003 0.000 0.297 529 T C -0.464 174.246 174.700 0.018 0.000 1.221 529 T CA -0.646 61.478 62.100 0.039 0.000 1.006 529 T CB 0.915 69.801 68.868 0.031 0.000 1.328 529 T HN -0.110 nan 8.240 nan 0.000 0.509 530 T N 2.395 116.952 114.554 0.005 0.000 2.728 530 T HA 0.529 4.877 4.350 -0.003 0.000 0.296 530 T C -0.285 174.388 174.700 -0.045 0.000 0.940 530 T CA -0.316 61.772 62.100 -0.020 0.000 1.013 530 T CB 0.563 69.424 68.868 -0.012 0.000 0.912 530 T HN 0.706 nan 8.240 nan 0.000 0.484 531 T N 3.546 118.036 114.554 -0.107 0.000 2.749 531 T HA 0.369 4.718 4.350 -0.003 0.000 0.287 531 T C 0.294 174.909 174.700 -0.142 0.000 0.970 531 T CA -0.550 61.468 62.100 -0.136 0.000 0.980 531 T CB 0.812 69.551 68.868 -0.214 0.000 0.924 531 T HN 0.318 nan 8.240 nan 0.000 0.456 532 V N 5.730 125.602 119.914 -0.071 0.000 2.432 532 V HA 0.353 4.471 4.120 -0.003 0.000 0.271 532 V C 0.180 176.168 176.094 -0.176 0.000 1.046 532 V CA -0.459 61.813 62.300 -0.046 0.000 0.945 532 V CB 0.352 32.262 31.823 0.144 0.000 0.992 532 V HN 0.777 nan 8.190 nan 0.000 0.471 533 I N 4.757 125.186 120.570 -0.234 0.000 2.355 533 I HA 0.433 4.601 4.170 -0.003 0.000 0.288 533 I C 0.323 176.307 176.117 -0.221 0.000 0.999 533 I CA -0.204 60.911 61.300 -0.308 0.000 1.163 533 I CB 1.543 39.317 38.000 -0.377 0.000 1.316 533 I HN 0.675 nan 8.210 nan 0.000 0.454 537 V N 3.720 123.645 119.914 0.018 0.000 2.925 537 V HA 0.482 4.601 4.120 -0.003 0.000 0.311 537 V C 0.029 176.134 176.094 0.018 0.000 1.104 537 V CA -0.906 61.384 62.300 -0.017 0.000 0.954 537 V CB 2.688 34.462 31.823 -0.080 0.000 1.022 537 V HN 0.982 nan 8.190 nan 0.000 0.427 538 N N 3.089 121.802 118.700 0.021 0.000 2.412 538 N HA -0.016 4.723 4.740 -0.003 0.000 0.258 538 N C 0.699 176.225 175.510 0.026 0.000 1.236 538 N CA 0.303 53.371 53.050 0.030 0.000 0.882 538 N CB 0.634 39.139 38.487 0.031 0.000 1.066 538 N HN 0.863 nan 8.380 nan 0.000 0.465 539 D N 0.939 121.358 120.400 0.033 0.000 2.170 539 D HA -0.248 4.390 4.640 -0.003 0.000 0.193 539 D C 1.148 177.466 176.300 0.029 0.000 1.004 539 D CA 1.842 55.862 54.000 0.035 0.000 0.860 539 D CB -0.322 40.503 40.800 0.041 0.000 0.931 539 D HN 0.431 nan 8.370 nan 0.000 0.448 540 T N -1.641 112.930 114.554 0.027 0.000 3.043 540 T HA 0.093 4.442 4.350 -0.003 0.000 0.272 540 T C 0.538 175.250 174.700 0.020 0.000 0.990 540 T CA -0.157 61.958 62.100 0.025 0.000 0.897 540 T CB -0.030 68.855 68.868 0.029 0.000 1.111 540 T HN -0.109 nan 8.240 nan 0.000 0.529 541 D N 0.903 121.315 120.400 0.020 0.000 2.178 541 D HA 0.037 4.675 4.640 -0.003 0.000 0.202 541 D C 2.127 178.438 176.300 0.019 0.000 0.974 541 D CA 1.247 55.260 54.000 0.022 0.000 0.841 541 D CB -0.308 40.507 40.800 0.025 0.000 0.953 541 D HN 0.530 nan 8.370 nan 0.000 0.478 542 G N 0.367 109.174 108.800 0.012 0.000 2.396 542 G HA2 -0.042 3.916 3.960 -0.003 0.000 0.214 542 G HA3 -0.042 3.916 3.960 -0.003 0.000 0.214 542 G C 1.669 176.572 174.900 0.004 0.000 1.166 542 G CA 0.829 45.934 45.100 0.009 0.000 0.793 542 G HN 0.359 nan 8.290 nan 0.000 0.533 543 A N 0.398 123.218 122.820 0.001 0.000 1.898 543 A HA -0.027 4.292 4.320 -0.003 0.000 0.216 543 A C 2.284 179.869 177.584 0.000 0.000 1.181 543 A CA 1.846 53.880 52.037 -0.005 0.000 0.620 543 A CB -0.445 18.552 19.000 -0.006 0.000 0.819 543 A HN 0.408 nan 8.150 nan 0.000 0.442 544 Q N -0.831 118.973 119.800 0.008 0.000 2.030 544 Q HA -0.158 4.181 4.340 -0.003 0.000 0.204 544 Q C 2.248 178.255 176.000 0.010 0.000 0.986 544 Q CA 2.194 58.003 55.803 0.011 0.000 0.843 544 Q CB -0.487 28.261 28.738 0.017 0.000 0.904 544 Q HN 0.673 nan 8.270 nan 0.000 0.420 545 T N 1.608 116.169 114.554 0.013 0.000 2.685 545 T HA -0.201 4.147 4.350 -0.003 0.000 0.268 545 T C 1.690 176.391 174.700 0.002 0.000 1.034 545 T CA 1.241 63.348 62.100 0.012 0.000 1.149 545 T CB -0.337 68.542 68.868 0.019 0.000 0.860 545 T HN 0.105 nan 8.240 nan 0.000 0.449 546 L N 1.149 122.371 121.223 -0.002 0.000 1.976 546 L HA -0.111 4.228 4.340 -0.003 0.000 0.209 546 L C 2.511 179.374 176.870 -0.012 0.000 1.071 546 L CA 1.821 56.655 54.840 -0.011 0.000 0.746 546 L CB -1.033 41.016 42.059 -0.016 0.000 0.890 546 L HN 0.269 nan 8.230 nan 0.000 0.432 547 Q N -1.073 118.722 119.800 -0.007 0.000 2.096 547 Q HA -0.281 4.057 4.340 -0.003 0.000 0.204 547 Q C 2.238 178.240 176.000 0.002 0.000 0.982 547 Q CA 2.191 57.991 55.803 -0.005 0.000 0.850 547 Q CB -0.270 28.468 28.738 -0.000 0.000 0.901 547 Q HN 0.629 nan 8.270 nan 0.000 0.422 548 Q N 0.197 120.002 119.800 0.008 0.000 2.061 548 Q HA -0.151 4.188 4.340 -0.003 0.000 0.204 548 Q C 2.096 178.104 176.000 0.013 0.000 0.984 548 Q CA 1.147 56.959 55.803 0.016 0.000 0.846 548 Q CB -0.095 28.654 28.738 0.017 0.000 0.902 548 Q HN 0.384 nan 8.270 nan 0.000 0.421 549 L N 0.029 121.253 121.223 0.002 0.000 2.156 549 L HA -0.160 4.178 4.340 -0.003 0.000 0.208 549 L C 2.233 179.100 176.870 -0.006 0.000 1.095 549 L CA 0.232 55.070 54.840 -0.004 0.000 0.770 549 L CB -0.225 41.823 42.059 -0.018 0.000 0.914 549 L HN 0.266 nan 8.230 nan 0.000 0.439 550 L N -0.019 121.195 121.223 -0.014 0.000 2.056 550 L HA -0.098 4.240 4.340 -0.003 0.000 0.207 550 L C 2.590 179.441 176.870 -0.032 0.000 1.078 550 L CA 1.937 56.761 54.840 -0.027 0.000 0.749 550 L CB -0.676 41.362 42.059 -0.035 0.000 0.901 550 L HN 0.125 nan 8.230 nan 0.000 0.433 551 A N -0.905 121.909 122.820 -0.010 0.000 1.877 551 A HA -0.295 4.024 4.320 -0.003 0.000 0.216 551 A C 2.335 179.950 177.584 0.050 0.000 1.186 551 A CA 1.882 53.923 52.037 0.006 0.000 0.620 551 A CB -0.823 18.218 19.000 0.069 0.000 0.822 551 A HN 0.649 nan 8.150 nan 0.000 0.443 552 Q N -0.341 119.498 119.800 0.065 0.000 2.061 552 Q HA -0.157 4.182 4.340 -0.003 0.000 0.204 552 Q C 1.943 177.981 176.000 0.064 0.000 0.984 552 Q CA 2.247 58.099 55.803 0.081 0.000 0.846 552 Q CB -0.194 28.571 28.738 0.046 0.000 0.902 552 Q HN 0.419 nan 8.270 nan 0.000 0.421 553 V N 0.904 120.835 119.914 0.027 0.000 2.548 553 V HA -0.184 3.934 4.120 -0.003 0.000 0.249 553 V C 2.404 178.501 176.094 0.004 0.000 1.055 553 V CA 1.591 63.907 62.300 0.027 0.000 1.065 553 V CB -0.412 31.433 31.823 0.036 0.000 0.681 553 V HN 0.526 nan 8.190 nan 0.000 0.462 554 S N -0.232 115.430 115.700 -0.064 0.000 2.447 554 S HA -0.225 4.243 4.470 -0.003 0.000 0.233 554 S C 1.598 176.075 174.600 -0.206 0.000 1.006 554 S CA 1.511 59.617 58.200 -0.157 0.000 0.957 554 S CB -0.611 62.429 63.200 -0.266 0.000 0.773 554 S HN 0.775 nan 8.310 nan 0.000 0.507 555 H N 0.287 119.369 119.070 0.020 0.000 2.551 555 H HA 0.463 5.018 4.556 -0.003 0.000 0.271 555 H C 0.574 175.910 175.328 0.013 0.000 0.984 555 H CA -0.451 55.606 56.048 0.015 0.000 1.164 555 H CB 0.093 29.862 29.762 0.011 0.000 1.437 555 H HN 0.292 nan 8.280 nan 0.000 0.550 556 L N 0.000 121.282 121.223 0.099 0.000 2.949 556 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 556 L CA 0.000 54.876 54.840 0.061 0.000 0.813 556 L CB 0.000 42.081 42.059 0.037 0.000 0.961 556 L HN 0.000 nan 8.230 nan 0.000 0.502