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 2nx1_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPNA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCRQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVQLPGG LGDKSGGMRE DATA SEQUENCE FIFPLIRAAV AVGCDGVFME THPEPEKALS DASTQLPLSQ LEGIIEAILE DATA SEQUENCE IREVASKYYE TI 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 2003 K HA 0.000 nan 4.320 nan 0.000 0.191 2003 K C 0.000 176.694 176.600 0.157 0.000 0.988 2003 K CA 0.000 56.365 56.287 0.131 0.000 0.838 2003 K CB 0.000 32.571 32.500 0.118 0.000 1.064 2004 F N 1.593 121.552 119.950 0.015 0.000 2.608 2004 F HA 0.166 4.694 4.527 0.001 0.000 0.380 2004 F C -0.117 175.642 175.800 -0.070 0.000 1.083 2004 F CA -0.387 57.605 58.000 -0.013 0.000 1.266 2004 F CB 0.505 39.486 39.000 -0.031 0.000 1.076 2004 F HN 0.411 nan 8.300 nan 0.000 0.574 2005 L N 6.759 127.604 121.223 -0.630 0.000 2.289 2005 L HA 0.523 4.864 4.340 0.001 0.000 0.285 2005 L C -1.134 175.325 176.870 -0.685 0.000 1.049 2005 L CA -0.360 54.174 54.840 -0.510 0.000 0.804 2005 L CB 1.475 43.325 42.059 -0.348 0.000 1.195 2005 L HN 0.362 nan 8.230 nan 0.000 0.428 2006 V N 6.816 126.412 119.914 -0.531 0.000 2.380 2006 V HA 0.402 4.523 4.120 0.001 0.000 0.286 2006 V C -0.082 175.827 176.094 -0.307 0.000 1.015 2006 V CA -0.438 61.582 62.300 -0.467 0.000 0.834 2006 V CB 1.377 32.789 31.823 -0.685 0.000 1.009 2006 V HN 0.549 nan 8.190 nan 0.000 0.428 2007 I N 4.610 125.029 120.570 -0.253 0.000 2.315 2007 I HA 0.776 4.947 4.170 0.001 0.000 0.291 2007 I C 0.409 176.290 176.117 -0.393 0.000 1.006 2007 I CA 0.027 61.161 61.300 -0.277 0.000 1.265 2007 I CB 1.409 39.255 38.000 -0.256 0.000 1.387 2007 I HN 0.695 nan 8.210 nan 0.000 0.475 2008 A N 4.599 127.215 122.820 -0.341 0.000 2.609 2008 A HA 1.001 5.321 4.320 0.001 0.000 0.291 2008 A C -0.410 176.876 177.584 -0.497 0.000 1.096 2008 A CA -0.188 51.626 52.037 -0.371 0.000 0.684 2008 A CB 1.974 20.892 19.000 -0.137 0.000 1.282 2008 A HN 0.937 nan 8.150 nan 0.000 0.412 2009 G N -0.370 108.130 108.800 -0.501 0.000 2.356 2009 G HA2 0.476 4.437 3.960 0.001 0.000 0.300 2009 G HA3 0.476 4.437 3.960 0.001 0.000 0.300 2009 G C -3.570 171.090 174.900 -0.400 0.000 1.331 2009 G CA -0.163 44.531 45.100 -0.676 0.000 0.905 2009 G HN 0.768 nan 8.290 nan 0.000 0.587 2010 P HA 0.165 nan 4.420 nan 0.000 0.275 2010 P C 0.599 177.873 177.300 -0.044 0.000 1.227 2010 P CA -0.078 62.973 63.100 -0.082 0.000 0.781 2010 P CB 1.611 33.302 31.700 -0.015 0.000 0.906 2011 N N 2.871 121.592 118.700 0.035 0.000 2.036 2011 N HA -0.170 4.571 4.740 0.001 0.000 0.195 2011 N C 0.358 175.940 175.510 0.120 0.000 1.037 2011 N CA 1.741 54.841 53.050 0.083 0.000 0.855 2011 N CB -0.231 38.323 38.487 0.113 0.000 1.033 2011 N HN 0.586 nan 8.380 nan 0.000 0.423 2012 A N -0.607 122.317 122.820 0.174 0.000 2.356 2012 A HA 0.556 4.877 4.320 0.001 0.000 0.323 2012 A C -0.517 177.244 177.584 0.294 0.000 1.119 2012 A CA -0.688 51.505 52.037 0.260 0.000 0.790 2012 A CB 0.931 20.175 19.000 0.406 0.000 1.273 2012 A HN 0.276 nan 8.150 nan 0.000 0.452 2013 I N 2.368 123.158 120.570 0.367 0.000 2.270 2013 I HA 0.033 4.204 4.170 0.001 0.000 0.300 2013 I C 0.815 177.244 176.117 0.521 0.000 1.186 2013 I CA 0.254 61.799 61.300 0.409 0.000 1.431 2013 I CB -0.185 38.087 38.000 0.453 0.000 1.485 2013 I HN 0.847 nan 8.210 nan 0.000 0.650 2014 E N 2.908 123.325 120.200 0.362 0.000 2.268 2014 E HA -0.081 4.269 4.350 0.001 0.000 0.195 2014 E C 0.395 177.189 176.600 0.323 0.000 0.995 2014 E CA 0.548 57.114 56.400 0.278 0.000 0.836 2014 E CB 0.121 29.839 29.700 0.030 0.000 0.763 2014 E HN 0.724 nan 8.360 nan 0.000 0.491 2015 S N -0.924 114.949 115.700 0.289 0.000 2.680 2015 S HA 0.023 4.493 4.470 0.001 0.000 0.284 2015 S C 0.210 174.946 174.600 0.228 0.000 1.055 2015 S CA -0.740 57.608 58.200 0.248 0.000 0.849 2015 S CB 0.946 64.222 63.200 0.127 0.000 1.068 2015 S HN 0.204 nan 8.310 nan 0.000 0.453 2016 E N 0.681 120.986 120.200 0.174 0.000 2.274 2016 E HA -0.108 4.243 4.350 0.001 0.000 0.194 2016 E C 1.399 178.031 176.600 0.053 0.000 0.996 2016 E CA 0.968 57.397 56.400 0.048 0.000 0.840 2016 E CB -0.162 29.482 29.700 -0.093 0.000 0.772 2016 E HN 0.768 nan 8.360 nan 0.000 0.491 2017 E N 0.921 121.160 120.200 0.065 0.000 2.051 2017 E HA -0.228 4.123 4.350 0.001 0.000 0.192 2017 E C 2.106 178.735 176.600 0.048 0.000 0.991 2017 E CA 1.154 57.582 56.400 0.047 0.000 0.799 2017 E CB -0.087 29.639 29.700 0.043 0.000 0.748 2017 E HN 0.357 nan 8.360 nan 0.000 0.449 2018 L N 1.064 122.320 121.223 0.054 0.000 2.046 2018 L HA -0.161 4.180 4.340 0.001 0.000 0.208 2018 L C 2.180 179.088 176.870 0.063 0.000 1.077 2018 L CA 1.581 56.433 54.840 0.020 0.000 0.747 2018 L CB -0.394 41.671 42.059 0.009 0.000 0.896 2018 L HN 0.249 nan 8.230 nan 0.000 0.432 2019 L N -1.275 120.026 121.223 0.130 0.000 2.131 2019 L HA -0.218 4.123 4.340 0.001 0.000 0.210 2019 L C 2.489 179.412 176.870 0.088 0.000 1.092 2019 L CA 1.150 56.116 54.840 0.210 0.000 0.759 2019 L CB -0.625 41.544 42.059 0.183 0.000 0.903 2019 L HN 0.354 nan 8.230 nan 0.000 0.435 2020 L N -0.268 121.007 121.223 0.086 0.000 2.095 2020 L HA -0.165 4.176 4.340 0.001 0.000 0.204 2020 L C 2.692 179.636 176.870 0.124 0.000 1.080 2020 L CA 1.031 55.979 54.840 0.181 0.000 0.759 2020 L CB -0.440 41.698 42.059 0.133 0.000 0.914 2020 L HN 0.227 nan 8.230 nan 0.000 0.439 2021 K N 0.355 120.786 120.400 0.053 0.000 2.026 2021 K HA -0.154 4.167 4.320 0.001 0.000 0.208 2021 K C 1.997 178.566 176.600 -0.050 0.000 1.048 2021 K CA 1.496 57.783 56.287 0.001 0.000 0.929 2021 K CB 0.030 32.522 32.500 -0.015 0.000 0.713 2021 K HN 0.054 nan 8.250 nan 0.000 0.439 2022 V N 0.624 120.531 119.914 -0.012 0.000 2.358 2022 V HA -0.138 3.983 4.120 0.001 0.000 0.246 2022 V C 2.412 178.496 176.094 -0.016 0.000 1.047 2022 V CA 2.042 64.349 62.300 0.011 0.000 1.035 2022 V CB -0.827 31.053 31.823 0.095 0.000 0.658 2022 V HN 0.615 nan 8.190 nan 0.000 0.452 2023 G N -0.510 108.250 108.800 -0.066 0.000 2.450 2023 G HA2 -0.309 3.652 3.960 0.001 0.000 0.220 2023 G HA3 -0.309 3.652 3.960 0.001 0.000 0.220 2023 G C 1.513 175.742 174.900 -1.119 0.000 1.130 2023 G CA 1.017 45.831 45.100 -0.476 0.000 0.760 2023 G HN 0.598 nan 8.290 nan 0.000 0.557 2024 E N 0.267 119.843 120.200 -1.039 0.000 2.051 2024 E HA -0.193 4.158 4.350 0.001 0.000 0.192 2024 E C 2.279 178.596 176.600 -0.472 0.000 0.991 2024 E CA 1.465 57.337 56.400 -0.880 0.000 0.799 2024 E CB -0.144 29.401 29.700 -0.259 0.000 0.748 2024 E HN 0.424 nan 8.360 nan 0.000 0.449 2025 E N 0.829 120.849 120.200 -0.300 0.000 2.072 2025 E HA -0.140 4.211 4.350 0.001 0.000 0.191 2025 E C 1.961 178.421 176.600 -0.234 0.000 0.985 2025 E CA 1.304 57.584 56.400 -0.199 0.000 0.801 2025 E CB -0.294 29.333 29.700 -0.121 0.000 0.750 2025 E HN 0.427 nan 8.360 nan 0.000 0.452 2026 I N 0.238 120.659 120.570 -0.249 0.000 2.454 2026 I HA -0.215 3.955 4.170 0.001 0.000 0.254 2026 I C 2.174 178.045 176.117 -0.410 0.000 1.156 2026 I CA 0.997 62.134 61.300 -0.271 0.000 1.433 2026 I CB -0.220 37.740 38.000 -0.066 0.000 1.082 2026 I HN 0.077 nan 8.210 nan 0.000 0.432 2027 K N 1.524 121.687 120.400 -0.395 0.000 2.062 2027 K HA -0.151 4.170 4.320 0.001 0.000 0.205 2027 K C 2.195 178.643 176.600 -0.253 0.000 1.051 2027 K CA 1.366 57.471 56.287 -0.303 0.000 0.941 2027 K CB -0.286 32.036 32.500 -0.296 0.000 0.719 2027 K HN 0.055 nan 8.250 nan 0.000 0.440 2028 R N -0.238 120.117 120.500 -0.242 0.000 2.091 2028 R HA -0.107 4.233 4.340 0.001 0.000 0.238 2028 R C 1.794 177.961 176.300 -0.221 0.000 1.136 2028 R CA 1.453 57.443 56.100 -0.184 0.000 0.959 2028 R CB -0.254 29.956 30.300 -0.149 0.000 0.856 2028 R HN 0.136 nan 8.270 nan 0.000 0.437 2029 L N 0.334 121.390 121.223 -0.280 0.000 2.093 2029 L HA -0.074 4.267 4.340 0.001 0.000 0.208 2029 L C 2.480 179.128 176.870 -0.371 0.000 1.085 2029 L CA 1.669 56.360 54.840 -0.248 0.000 0.755 2029 L CB -0.965 40.968 42.059 -0.211 0.000 0.904 2029 L HN 0.171 nan 8.230 nan 0.000 0.435 2030 S N -0.791 114.525 115.700 -0.641 0.000 2.370 2030 S HA -0.187 4.284 4.470 0.001 0.000 0.226 2030 S C 1.896 176.454 174.600 -0.069 0.000 1.033 2030 S CA 1.272 59.231 58.200 -0.402 0.000 1.011 2030 S CB -0.069 62.966 63.200 -0.276 0.000 0.852 2030 S HN 0.424 nan 8.310 nan 0.000 0.457 2031 E N 0.711 120.841 120.200 -0.118 0.000 2.216 2031 E HA -0.011 4.339 4.350 0.001 0.000 0.192 2031 E C 1.928 178.463 176.600 -0.108 0.000 0.988 2031 E CA 0.627 56.983 56.400 -0.073 0.000 0.834 2031 E CB -0.175 29.478 29.700 -0.079 0.000 0.772 2031 E HN 0.612 nan 8.360 nan 0.000 0.479 2032 K N -0.427 119.843 120.400 -0.217 0.000 2.262 2032 K HA 0.027 4.348 4.320 0.001 0.000 0.200 2032 K C -0.030 176.268 176.600 -0.504 0.000 1.049 2032 K CA 0.330 56.361 56.287 -0.428 0.000 0.979 2032 K CB 0.285 32.377 32.500 -0.680 0.000 0.773 2032 K HN -0.074 nan 8.250 nan 0.000 0.474 2033 F N 1.475 121.495 119.950 0.115 0.000 2.449 2033 F HA 0.311 4.838 4.527 0.001 0.000 0.344 2033 F C 0.521 176.450 175.800 0.214 0.000 1.180 2033 F CA -0.963 57.152 58.000 0.191 0.000 1.209 2033 F CB 1.355 40.543 39.000 0.314 0.000 1.440 2033 F HN -0.259 nan 8.300 nan 0.000 0.526 2034 K N 0.486 121.038 120.400 0.252 0.000 2.442 2034 K HA -0.150 4.171 4.320 0.001 0.000 0.198 2034 K C 1.607 178.327 176.600 0.200 0.000 1.044 2034 K CA 0.725 57.130 56.287 0.197 0.000 0.948 2034 K CB 0.141 32.711 32.500 0.117 0.000 0.762 2034 K HN 0.438 nan 8.250 nan 0.000 0.472 2035 E N 0.503 120.837 120.200 0.225 0.000 2.427 2035 E HA -0.011 4.340 4.350 0.001 0.000 0.196 2035 E C -0.222 176.485 176.600 0.178 0.000 1.028 2035 E CA 0.129 56.635 56.400 0.175 0.000 0.864 2035 E CB 0.400 30.194 29.700 0.156 0.000 0.813 2035 E HN -0.138 nan 8.360 nan 0.000 0.514 2036 V N 0.873 120.919 119.914 0.219 0.000 2.667 2036 V HA 0.299 4.420 4.120 0.001 0.000 0.308 2036 V C -0.207 175.936 176.094 0.082 0.000 1.048 2036 V CA -0.867 61.491 62.300 0.096 0.000 0.928 2036 V CB 1.820 33.587 31.823 -0.093 0.000 1.004 2036 V HN 0.004 nan 8.190 nan 0.000 0.444 2037 E N 2.713 122.881 120.200 -0.053 0.000 2.092 2037 E HA 0.421 4.772 4.350 0.001 0.000 0.271 2037 E C -1.567 174.964 176.600 -0.115 0.000 0.919 2037 E CA -0.470 55.939 56.400 0.016 0.000 0.760 2037 E CB 0.747 30.457 29.700 0.017 0.000 1.106 2037 E HN 0.497 nan 8.360 nan 0.000 0.408 2038 F N 2.816 122.790 119.950 0.040 0.000 2.394 2038 F HA 0.316 4.844 4.527 0.001 0.000 0.340 2038 F C 0.109 175.919 175.800 0.016 0.000 1.105 2038 F CA -0.547 57.465 58.000 0.020 0.000 1.124 2038 F CB 1.389 40.417 39.000 0.047 0.000 1.145 2038 F HN 0.115 nan 8.300 nan 0.000 0.505 2039 V N 4.502 124.493 119.914 0.128 0.000 2.483 2039 V HA 0.234 4.355 4.120 0.001 0.000 0.297 2039 V C -0.767 175.383 176.094 0.093 0.000 1.027 2039 V CA -1.041 61.311 62.300 0.086 0.000 0.855 2039 V CB 1.640 33.447 31.823 -0.027 0.000 0.995 2039 V HN 0.547 nan 8.190 nan 0.000 0.424 2040 F N 5.960 125.917 119.950 0.012 0.000 2.467 2040 F HA 0.511 5.039 4.527 0.001 0.000 0.362 2040 F C 0.267 176.046 175.800 -0.035 0.000 1.090 2040 F CA 0.250 58.243 58.000 -0.012 0.000 1.202 2040 F CB 0.502 39.511 39.000 0.014 0.000 1.113 2040 F HN 0.374 nan 8.300 nan 0.000 0.541 2041 K N 4.602 124.618 120.400 -0.639 0.000 2.316 2041 K HA 0.611 4.931 4.320 0.001 0.000 0.251 2041 K C -1.647 174.662 176.600 -0.484 0.000 0.934 2041 K CA -0.481 55.557 56.287 -0.414 0.000 0.802 2041 K CB 1.842 34.087 32.500 -0.424 0.000 1.171 2041 K HN 0.682 nan 8.250 nan 0.000 0.426 2042 S N 1.292 116.914 115.700 -0.130 0.000 2.583 2042 S HA 0.254 4.725 4.470 0.001 0.000 0.294 2042 S C -1.743 172.918 174.600 0.102 0.000 1.121 2042 S CA -0.547 57.649 58.200 -0.005 0.000 0.910 2042 S CB 0.890 64.154 63.200 0.107 0.000 1.102 2042 S HN 0.505 nan 8.310 nan 0.000 0.451 2043 S N 3.795 119.549 115.700 0.089 0.000 2.489 2043 S HA 0.339 4.810 4.470 0.001 0.000 0.277 2043 S C 0.945 175.601 174.600 0.094 0.000 1.230 2043 S CA -0.563 57.649 58.200 0.020 0.000 1.053 2043 S CB 0.172 63.360 63.200 -0.019 0.000 0.955 2043 S HN 0.695 nan 8.310 nan 0.000 0.488 2044 F N 0.740 120.801 119.950 0.185 0.000 2.661 2044 F HA 0.385 4.912 4.527 0.001 0.000 0.298 2044 F C 0.427 176.314 175.800 0.145 0.000 1.137 2044 F CA -0.271 57.848 58.000 0.198 0.000 1.454 2044 F CB -0.125 38.981 39.000 0.177 0.000 1.103 2044 F HN 0.466 nan 8.300 nan 0.000 0.577 2045 D N 0.075 120.323 120.400 -0.252 0.000 2.937 2045 D HA 0.228 4.869 4.640 0.001 0.000 0.215 2045 D C -1.561 174.539 176.300 -0.335 0.000 1.274 2045 D CA -0.641 53.232 54.000 -0.211 0.000 0.869 2045 D CB 1.213 41.955 40.800 -0.098 0.000 1.675 2045 D HN -0.169 nan 8.370 nan 0.000 0.538 2046 K N 2.944 123.183 120.400 -0.268 0.000 2.244 2046 K HA 0.546 4.866 4.320 0.001 0.000 0.263 2046 K C 0.299 176.725 176.600 -0.290 0.000 1.103 2046 K CA -0.402 55.751 56.287 -0.224 0.000 0.966 2046 K CB 1.043 33.490 32.500 -0.089 0.000 1.429 2046 K HN 0.454 nan 8.250 nan 0.000 0.434 2047 A N 2.709 125.239 122.820 -0.484 0.000 2.238 2047 A HA -0.073 4.248 4.320 0.001 0.000 0.208 2047 A C 0.979 178.470 177.584 -0.154 0.000 1.177 2047 A CA 0.581 52.385 52.037 -0.389 0.000 0.804 2047 A CB -0.582 18.017 19.000 -0.669 0.000 0.823 2047 A HN 0.816 nan 8.150 nan 0.000 0.482 2048 N N -1.417 117.233 118.700 -0.082 0.000 2.351 2048 N HA 0.122 4.863 4.740 0.001 0.000 0.254 2048 N C -0.279 175.270 175.510 0.066 0.000 1.241 2048 N CA -0.743 52.340 53.050 0.055 0.000 0.883 2048 N CB 0.468 39.074 38.487 0.198 0.000 1.202 2048 N HN -0.068 nan 8.380 nan 0.000 0.512 2049 R N 0.609 121.114 120.500 0.008 0.000 2.756 2049 R HA 0.068 4.409 4.340 0.001 0.000 0.264 2049 R C 0.909 177.228 176.300 0.031 0.000 1.026 2049 R CA 0.086 56.200 56.100 0.024 0.000 1.121 2049 R CB 0.495 30.796 30.300 0.002 0.000 0.999 2049 R HN 0.201 nan 8.270 nan 0.000 0.449 2050 S N 0.239 115.964 115.700 0.042 0.000 2.387 2050 S HA -0.078 4.393 4.470 0.001 0.000 0.226 2050 S C 0.987 175.583 174.600 -0.006 0.000 1.026 2050 S CA 0.885 59.101 58.200 0.028 0.000 0.972 2050 S CB 0.096 63.320 63.200 0.039 0.000 0.814 2050 S HN 0.608 nan 8.310 nan 0.000 0.477 2051 S N 0.094 115.790 115.700 -0.007 0.000 2.475 2051 S HA 0.403 4.874 4.470 0.001 0.000 0.298 2051 S C 0.665 175.217 174.600 -0.079 0.000 1.119 2051 S CA -0.695 57.479 58.200 -0.043 0.000 1.085 2051 S CB 0.989 64.188 63.200 -0.001 0.000 1.028 2051 S HN 0.166 nan 8.310 nan 0.000 0.489 2052 I N 4.258 124.716 120.570 -0.187 0.000 2.614 2052 I HA -0.023 4.148 4.170 0.001 0.000 0.258 2052 I C 1.294 177.321 176.117 -0.149 0.000 1.189 2052 I CA 1.793 62.967 61.300 -0.209 0.000 1.462 2052 I CB -0.330 37.486 38.000 -0.307 0.000 1.092 2052 I HN 0.843 nan 8.210 nan 0.000 0.442 2053 H N -1.340 117.732 119.070 0.004 0.000 2.539 2053 H HA 0.299 4.856 4.556 0.001 0.000 0.269 2053 H C 1.050 176.394 175.328 0.026 0.000 0.980 2053 H CA -0.231 55.824 56.048 0.011 0.000 1.152 2053 H CB 0.181 29.951 29.762 0.014 0.000 1.407 2053 H HN 0.178 nan 8.280 nan 0.000 0.564 2054 S N 0.510 116.278 115.700 0.113 0.000 2.632 2054 S HA 0.082 4.553 4.470 0.001 0.000 0.267 2054 S C -0.258 174.409 174.600 0.111 0.000 1.276 2054 S CA -0.775 57.493 58.200 0.113 0.000 0.998 2054 S CB 0.750 64.001 63.200 0.085 0.000 0.953 2054 S HN 0.223 nan 8.310 nan 0.000 0.547 2055 F N 1.632 121.583 119.950 0.003 0.000 2.538 2055 F HA 0.210 4.738 4.527 0.001 0.000 0.371 2055 F C 1.293 177.075 175.800 -0.031 0.000 1.087 2055 F CA 0.279 58.267 58.000 -0.021 0.000 1.250 2055 F CB 0.400 39.391 39.000 -0.015 0.000 1.110 2055 F HN 0.538 nan 8.300 nan 0.000 0.570 2056 R N 3.057 123.021 120.500 -0.894 0.000 2.194 2056 R HA 0.471 4.811 4.340 0.001 0.000 0.194 2056 R C 0.483 176.230 176.300 -0.921 0.000 0.985 2056 R CA 0.168 55.868 56.100 -0.668 0.000 1.104 2056 R CB 0.370 30.442 30.300 -0.381 0.000 1.092 2056 R HN 0.891 nan 8.270 nan 0.000 0.555 2057 G N -0.617 107.358 108.800 -1.374 0.000 2.362 2057 G HA2 -0.067 3.894 3.960 0.001 0.000 0.288 2057 G HA3 -0.067 3.894 3.960 0.001 0.000 0.288 2057 G C -1.164 173.409 174.900 -0.545 0.000 1.305 2057 G CA -0.846 43.778 45.100 -0.792 0.000 0.910 2057 G HN 0.301 nan 8.290 nan 0.000 0.518 2058 H N 0.116 119.181 119.070 -0.008 0.000 2.542 2058 H HA 0.520 5.076 4.556 0.001 0.000 0.283 2058 H C 1.121 176.488 175.328 0.064 0.000 1.059 2058 H CA 1.015 57.021 56.048 -0.071 0.000 1.162 2058 H CB 0.691 30.182 29.762 -0.452 0.000 1.539 2058 H HN 1.761 nan 8.280 nan 0.000 0.543 2059 G N -0.030 108.905 108.800 0.225 0.000 2.629 2059 G HA2 -0.216 3.744 3.960 0.001 0.000 0.686 2059 G HA3 -0.216 3.744 3.960 0.001 0.000 0.686 2059 G C 0.310 175.361 174.900 0.252 0.000 1.232 2059 G CA -0.277 44.967 45.100 0.239 0.000 0.803 2059 G HN 0.304 nan 8.290 nan 0.000 0.638 2060 L N 0.224 121.493 121.223 0.078 0.000 2.046 2060 L HA 0.040 4.381 4.340 0.001 0.000 0.208 2060 L C 2.714 179.488 176.870 -0.160 0.000 1.077 2060 L CA 2.512 57.133 54.840 -0.365 0.000 0.747 2060 L CB -0.258 41.522 42.059 -0.465 0.000 0.896 2060 L HN 0.847 nan 8.230 nan 0.000 0.432 2061 E N -1.123 119.083 120.200 0.010 0.000 2.051 2061 E HA -0.294 4.057 4.350 0.001 0.000 0.192 2061 E C 1.962 178.612 176.600 0.083 0.000 0.991 2061 E CA 1.721 58.144 56.400 0.039 0.000 0.799 2061 E CB -0.283 29.462 29.700 0.074 0.000 0.748 2061 E HN 0.584 nan 8.360 nan 0.000 0.449 2062 Y N 0.921 121.254 120.300 0.054 0.000 2.200 2062 Y HA -0.127 4.424 4.550 0.001 0.000 0.290 2062 Y C 2.251 178.208 175.900 0.095 0.000 1.137 2062 Y CA 1.731 59.878 58.100 0.078 0.000 1.163 2062 Y CB -0.427 38.110 38.460 0.129 0.000 0.988 2062 Y HN -0.010 nan 8.280 nan 0.000 0.518 2063 G N -0.672 108.300 108.800 0.287 0.000 2.402 2063 G HA2 -0.211 3.749 3.960 0.001 0.000 0.216 2063 G HA3 -0.211 3.749 3.960 0.001 0.000 0.216 2063 G C 1.651 176.610 174.900 0.098 0.000 1.162 2063 G CA 1.196 46.456 45.100 0.268 0.000 0.777 2063 G HN 0.344 nan 8.290 nan 0.000 0.539 2064 V N 0.912 120.824 119.914 -0.004 0.000 2.427 2064 V HA -0.133 3.988 4.120 0.001 0.000 0.248 2064 V C 2.671 178.740 176.094 -0.042 0.000 1.051 2064 V CA 2.193 64.475 62.300 -0.029 0.000 1.048 2064 V CB -0.295 31.480 31.823 -0.079 0.000 0.666 2064 V HN 0.468 nan 8.190 nan 0.000 0.456 2065 K N 0.557 120.907 120.400 -0.083 0.000 2.026 2065 K HA -0.171 4.150 4.320 0.001 0.000 0.208 2065 K C 2.192 178.700 176.600 -0.154 0.000 1.048 2065 K CA 1.651 57.865 56.287 -0.122 0.000 0.929 2065 K CB -0.335 32.069 32.500 -0.160 0.000 0.713 2065 K HN 0.394 nan 8.250 nan 0.000 0.439 2066 A N 1.495 124.185 122.820 -0.217 0.000 1.902 2066 A HA -0.106 4.214 4.320 0.001 0.000 0.217 2066 A C 2.164 179.703 177.584 -0.076 0.000 1.181 2066 A CA 1.272 53.197 52.037 -0.186 0.000 0.623 2066 A CB -0.599 18.276 19.000 -0.208 0.000 0.818 2066 A HN 0.346 nan 8.150 nan 0.000 0.443 2067 L N -1.109 120.110 121.223 -0.005 0.000 2.093 2067 L HA -0.156 4.185 4.340 0.001 0.000 0.208 2067 L C 2.779 179.635 176.870 -0.024 0.000 1.085 2067 L CA 1.621 56.482 54.840 0.035 0.000 0.755 2067 L CB -0.412 41.719 42.059 0.121 0.000 0.904 2067 L HN 0.487 nan 8.230 nan 0.000 0.435 2068 R N 0.693 121.171 120.500 -0.038 0.000 2.092 2068 R HA -0.226 4.115 4.340 0.001 0.000 0.231 2068 R C 2.306 178.556 176.300 -0.083 0.000 1.119 2068 R CA 1.525 57.595 56.100 -0.049 0.000 0.970 2068 R CB 0.009 30.279 30.300 -0.049 0.000 0.864 2068 R HN 0.053 nan 8.270 nan 0.000 0.440 2069 K N 0.293 120.629 120.400 -0.108 0.000 2.026 2069 K HA -0.083 4.238 4.320 0.001 0.000 0.208 2069 K C 1.800 178.294 176.600 -0.177 0.000 1.048 2069 K CA 1.833 58.035 56.287 -0.142 0.000 0.929 2069 K CB -0.459 31.954 32.500 -0.145 0.000 0.713 2069 K HN 0.068 nan 8.250 nan 0.000 0.439 2070 V N 1.542 121.357 119.914 -0.165 0.000 2.287 2070 V HA -0.277 3.844 4.120 0.001 0.000 0.248 2070 V C 2.522 178.554 176.094 -0.102 0.000 1.053 2070 V CA 2.326 64.524 62.300 -0.170 0.000 1.027 2070 V CB -0.579 30.976 31.823 -0.446 0.000 0.646 2070 V HN 0.493 nan 8.190 nan 0.000 0.447 2071 K N -0.014 120.334 120.400 -0.087 0.000 2.097 2071 K HA -0.215 4.106 4.320 0.001 0.000 0.206 2071 K C 2.052 178.620 176.600 -0.054 0.000 1.049 2071 K CA 1.875 58.142 56.287 -0.034 0.000 0.933 2071 K CB -0.094 32.400 32.500 -0.010 0.000 0.717 2071 K HN 0.613 nan 8.250 nan 0.000 0.442 2072 E N 0.153 120.294 120.200 -0.098 0.000 2.076 2072 E HA -0.167 4.184 4.350 0.001 0.000 0.190 2072 E C 1.932 178.425 176.600 -0.179 0.000 0.979 2072 E CA 0.967 57.300 56.400 -0.112 0.000 0.807 2072 E CB 0.088 29.723 29.700 -0.109 0.000 0.761 2072 E HN 0.403 nan 8.360 nan 0.000 0.454 2073 E N -0.327 119.688 120.200 -0.309 0.000 2.158 2073 E HA -0.093 4.257 4.350 0.001 0.000 0.191 2073 E C 0.837 177.062 176.600 -0.625 0.000 0.982 2073 E CA 0.730 56.804 56.400 -0.543 0.000 0.823 2073 E CB 0.227 29.427 29.700 -0.833 0.000 0.766 2073 E HN 0.153 nan 8.360 nan 0.000 0.468 2074 F N -1.025 118.865 119.950 -0.100 0.000 2.682 2074 F HA 0.358 4.885 4.527 0.001 0.000 0.308 2074 F C 1.215 176.977 175.800 -0.062 0.000 1.093 2074 F CA 0.324 58.271 58.000 -0.090 0.000 1.244 2074 F CB 1.042 39.968 39.000 -0.122 0.000 1.052 2074 F HN 0.047 nan 8.300 nan 0.000 0.573 2075 G N 1.917 110.758 108.800 0.068 0.000 2.305 2075 G HA2 -0.302 3.659 3.960 0.001 0.000 0.287 2075 G HA3 -0.302 3.659 3.960 0.001 0.000 0.287 2075 G C -0.092 174.856 174.900 0.080 0.000 1.036 2075 G CA 0.042 45.174 45.100 0.053 0.000 0.887 2075 G HN 0.311 nan 8.290 nan 0.000 0.505 2076 L N -0.559 120.721 121.223 0.095 0.000 2.322 2076 L HA 0.460 4.801 4.340 0.001 0.000 0.279 2076 L C 1.088 178.020 176.870 0.104 0.000 1.036 2076 L CA -1.001 53.906 54.840 0.110 0.000 0.807 2076 L CB 1.247 43.379 42.059 0.122 0.000 1.226 2076 L HN 0.041 nan 8.230 nan 0.000 0.433 2077 K N 2.391 122.861 120.400 0.117 0.000 2.276 2077 K HA 0.389 4.710 4.320 0.001 0.000 0.259 2077 K C -0.649 176.031 176.600 0.133 0.000 1.001 2077 K CA -0.312 56.036 56.287 0.102 0.000 0.927 2077 K CB 0.792 33.344 32.500 0.088 0.000 0.969 2077 K HN 0.299 nan 8.250 nan 0.000 0.490 2078 I N 0.649 121.288 120.570 0.115 0.000 2.689 2078 I HA 0.273 4.443 4.170 0.001 0.000 0.299 2078 I C -0.008 176.171 176.117 0.105 0.000 1.059 2078 I CA -0.439 60.951 61.300 0.149 0.000 1.055 2078 I CB 1.831 39.917 38.000 0.144 0.000 1.243 2078 I HN 0.553 nan 8.210 nan 0.000 0.425 2079 T N 2.841 117.458 114.554 0.105 0.000 3.032 2079 T HA 0.606 4.957 4.350 0.001 0.000 0.312 2079 T C -1.017 173.729 174.700 0.077 0.000 1.078 2079 T CA -0.206 61.932 62.100 0.063 0.000 1.028 2079 T CB 1.454 70.330 68.868 0.012 0.000 1.091 2079 T HN 0.846 nan 8.240 nan 0.000 0.457 2080 T N 2.698 117.302 114.554 0.083 0.000 2.868 2080 T HA 0.574 4.924 4.350 0.001 0.000 0.306 2080 T C -1.866 172.844 174.700 0.017 0.000 1.224 2080 T CA -0.724 61.428 62.100 0.086 0.000 1.012 2080 T CB 1.450 70.446 68.868 0.212 0.000 1.221 2080 T HN 0.792 nan 8.240 nan 0.000 0.499 2081 D N 2.543 122.885 120.400 -0.096 0.000 2.229 2081 D HA 0.532 5.172 4.640 0.001 0.000 0.249 2081 D C 0.275 176.285 176.300 -0.483 0.000 1.027 2081 D CA -0.644 53.215 54.000 -0.236 0.000 0.923 2081 D CB 0.961 41.623 40.800 -0.231 0.000 1.174 2081 D HN 0.761 nan 8.370 nan 0.000 0.443 2082 I N -2.781 117.489 120.570 -0.500 0.000 2.797 2082 I HA 0.504 4.675 4.170 0.001 0.000 0.307 2082 I C -0.383 175.243 176.117 -0.819 0.000 1.033 2082 I CA -0.973 59.995 61.300 -0.553 0.000 1.071 2082 I CB 2.015 39.887 38.000 -0.212 0.000 1.255 2082 I HN 0.330 nan 8.210 nan 0.000 0.445 2083 H N 0.242 119.258 119.070 -0.091 0.000 3.255 2083 H HA 0.447 5.004 4.556 0.001 0.000 0.256 2083 H C -0.580 174.716 175.328 -0.054 0.000 1.049 2083 H CA -0.244 55.764 56.048 -0.068 0.000 1.202 2083 H CB 0.830 30.558 29.762 -0.057 0.000 1.497 2083 H HN 0.585 nan 8.280 nan 0.000 0.503 2084 E N -0.236 119.917 120.200 -0.079 0.000 2.356 2084 E HA 0.256 4.607 4.350 0.001 0.000 0.275 2084 E C 0.039 176.527 176.600 -0.187 0.000 0.904 2084 E CA -0.301 56.060 56.400 -0.065 0.000 0.757 2084 E CB 2.444 32.184 29.700 0.065 0.000 1.232 2084 E HN -0.021 nan 8.360 nan 0.000 0.442 2085 S N 1.540 117.231 115.700 -0.015 0.000 2.389 2085 S HA -0.193 4.278 4.470 0.001 0.000 0.231 2085 S C 1.524 176.139 174.600 0.024 0.000 1.052 2085 S CA 1.936 60.147 58.200 0.019 0.000 1.053 2085 S CB -0.271 62.988 63.200 0.097 0.000 0.886 2085 S HN 0.737 nan 8.310 nan 0.000 0.456 2086 W N 1.738 123.069 121.300 0.052 0.000 2.525 2086 W HA -0.026 4.634 4.660 0.001 0.000 0.259 2086 W C 1.125 177.670 176.519 0.043 0.000 1.253 2086 W CA 0.608 57.979 57.345 0.043 0.000 1.262 2086 W CB -0.749 28.735 29.460 0.039 0.000 1.122 2086 W HN 0.416 nan 8.180 nan 0.000 0.607 2087 Q N 0.835 120.222 119.800 -0.688 0.000 2.389 2087 Q HA 0.048 4.389 4.340 0.001 0.000 0.204 2087 Q C 2.661 178.525 176.000 -0.225 0.000 0.944 2087 Q CA 1.037 56.457 55.803 -0.638 0.000 0.908 2087 Q CB -0.219 28.061 28.738 -0.763 0.000 1.002 2087 Q HN 0.282 nan 8.270 nan 0.000 0.493 2088 A N 1.908 124.648 122.820 -0.134 0.000 1.873 2088 A HA -0.311 4.010 4.320 0.001 0.000 0.218 2088 A C 1.960 179.534 177.584 -0.017 0.000 1.193 2088 A CA 1.871 53.876 52.037 -0.053 0.000 0.629 2088 A CB -0.584 18.403 19.000 -0.022 0.000 0.826 2088 A HN 0.424 nan 8.150 nan 0.000 0.447 2089 E N -0.487 119.721 120.200 0.013 0.000 2.023 2089 E HA -0.170 4.181 4.350 0.001 0.000 0.196 2089 E C -0.466 176.146 176.600 0.021 0.000 1.003 2089 E CA 1.657 58.076 56.400 0.030 0.000 0.809 2089 E CB -0.589 29.147 29.700 0.060 0.000 0.755 2089 E HN 0.520 nan 8.360 nan 0.000 0.449 2090 P HA -0.115 nan 4.420 nan 0.000 0.217 2090 P C 1.550 178.830 177.300 -0.033 0.000 1.150 2090 P CA 1.016 64.118 63.100 0.004 0.000 0.832 2090 P CB 0.037 31.751 31.700 0.024 0.000 0.787 2091 V N 0.917 120.798 119.914 -0.055 0.000 2.427 2091 V HA -0.158 3.963 4.120 0.001 0.000 0.248 2091 V C 2.794 178.892 176.094 0.006 0.000 1.051 2091 V CA 1.866 64.145 62.300 -0.035 0.000 1.048 2091 V CB -1.620 30.202 31.823 -0.002 0.000 0.666 2091 V HN 0.095 nan 8.190 nan 0.000 0.456 2092 A N -0.512 122.313 122.820 0.008 0.000 2.131 2092 A HA -0.194 4.127 4.320 0.001 0.000 0.220 2092 A C 2.120 179.715 177.584 0.019 0.000 1.158 2092 A CA 1.372 53.420 52.037 0.019 0.000 0.665 2092 A CB -0.338 18.673 19.000 0.018 0.000 0.795 2092 A HN 0.552 nan 8.150 nan 0.000 0.460 2093 E N -0.413 119.794 120.200 0.011 0.000 2.110 2093 E HA -0.113 4.237 4.350 0.001 0.000 0.193 2093 E C 1.788 178.395 176.600 0.013 0.000 0.988 2093 E CA 1.652 58.057 56.400 0.010 0.000 0.804 2093 E CB -0.145 29.556 29.700 0.002 0.000 0.745 2093 E HN 0.498 nan 8.360 nan 0.000 0.458 2094 V N 0.012 119.937 119.914 0.018 0.000 3.307 2094 V HA 0.213 4.334 4.120 0.001 0.000 0.244 2094 V C 0.872 176.994 176.094 0.047 0.000 1.196 2094 V CA 0.458 62.775 62.300 0.027 0.000 1.132 2094 V CB 0.310 32.148 31.823 0.026 0.000 0.875 2094 V HN 0.060 nan 8.190 nan 0.000 0.468 2095 A N 0.803 123.655 122.820 0.053 0.000 2.396 2095 A HA 0.180 4.500 4.320 0.001 0.000 0.279 2095 A C 0.972 178.589 177.584 0.055 0.000 1.165 2095 A CA -0.050 52.025 52.037 0.065 0.000 0.824 2095 A CB -0.169 18.874 19.000 0.071 0.000 1.100 2095 A HN 0.408 nan 8.150 nan 0.000 0.516 2096 D N 1.773 122.208 120.400 0.059 0.000 2.183 2096 D HA 0.010 4.650 4.640 0.001 0.000 0.203 2096 D C 0.197 176.533 176.300 0.059 0.000 0.969 2096 D CA 1.445 55.479 54.000 0.057 0.000 0.842 2096 D CB 0.244 41.079 40.800 0.059 0.000 0.957 2096 D HN 0.584 nan 8.370 nan 0.000 0.484 2097 I N 1.405 122.004 120.570 0.049 0.000 2.466 2097 I HA 0.267 4.438 4.170 0.001 0.000 0.289 2097 I C -0.421 175.719 176.117 0.039 0.000 1.026 2097 I CA -0.611 60.716 61.300 0.045 0.000 1.078 2097 I CB 2.723 40.717 38.000 -0.010 0.000 1.249 2097 I HN -0.297 nan 8.210 nan 0.000 0.429 2098 I N 5.699 126.294 120.570 0.041 0.000 2.315 2098 I HA 0.220 4.391 4.170 0.001 0.000 0.291 2098 I C 0.118 176.239 176.117 0.007 0.000 1.006 2098 I CA -0.276 61.038 61.300 0.023 0.000 1.265 2098 I CB 1.321 39.332 38.000 0.018 0.000 1.387 2098 I HN 0.597 nan 8.210 nan 0.000 0.475 2099 Q N 6.718 126.508 119.800 -0.017 0.000 2.256 2099 Q HA 0.411 4.751 4.340 0.001 0.000 0.254 2099 Q C -1.136 174.811 176.000 -0.088 0.000 0.916 2099 Q CA -0.675 55.103 55.803 -0.042 0.000 0.932 2099 Q CB 1.349 30.070 28.738 -0.028 0.000 1.207 2099 Q HN 0.490 nan 8.270 nan 0.000 0.426 2100 I N 6.509 127.029 120.570 -0.082 0.000 2.330 2100 I HA 0.341 4.511 4.170 0.001 0.000 0.289 2100 I C -2.202 173.845 176.117 -0.115 0.000 1.001 2100 I CA -2.625 58.622 61.300 -0.089 0.000 1.193 2100 I CB 0.929 38.901 38.000 -0.046 0.000 1.345 2100 I HN 0.538 nan 8.210 nan 0.000 0.461 2101 P HA 0.059 nan 4.420 nan 0.000 0.267 2101 P C 0.672 177.889 177.300 -0.137 0.000 1.200 2101 P CA 0.107 63.120 63.100 -0.144 0.000 0.772 2101 P CB 0.908 32.573 31.700 -0.058 0.000 0.855 2102 A N 2.896 125.558 122.820 -0.264 0.000 1.892 2102 A HA -0.235 4.086 4.320 0.001 0.000 0.218 2102 A C 1.683 179.266 177.584 -0.002 0.000 1.188 2102 A CA 1.825 53.711 52.037 -0.252 0.000 0.631 2102 A CB -1.677 17.071 19.000 -0.421 0.000 0.822 2102 A HN 0.508 nan 8.150 nan 0.000 0.447 2103 F N -0.316 119.665 119.950 0.052 0.000 2.333 2103 F HA 0.005 4.533 4.527 0.001 0.000 0.300 2103 F C 1.635 177.551 175.800 0.194 0.000 1.083 2103 F CA 0.463 58.588 58.000 0.208 0.000 1.395 2103 F CB -0.572 38.499 39.000 0.119 0.000 1.056 2103 F HN 0.104 nan 8.300 nan 0.000 0.529 2104 L N -0.463 120.921 121.223 0.268 0.000 2.700 2104 L HA 0.085 4.426 4.340 0.001 0.000 0.234 2104 L C 1.953 178.899 176.870 0.126 0.000 1.156 2104 L CA -0.052 54.891 54.840 0.172 0.000 0.946 2104 L CB -0.712 41.412 42.059 0.108 0.000 1.216 2104 L HN 0.243 nan 8.230 nan 0.000 0.493 2105 C N -1.236 118.147 119.300 0.139 0.000 2.430 2105 C HA 0.003 4.463 4.460 0.001 0.000 0.288 2105 C C 2.223 177.274 174.990 0.102 0.000 1.448 2105 C CA -0.043 59.020 59.018 0.076 0.000 1.784 2105 C CB -0.796 26.946 27.740 0.003 0.000 1.776 2105 C HN 0.444 nan 8.230 nan 0.000 0.547 2106 R N 0.066 120.660 120.500 0.157 0.000 2.397 2106 R HA 0.172 4.513 4.340 0.001 0.000 0.241 2106 R C 0.159 176.495 176.300 0.060 0.000 0.914 2106 R CA 0.144 56.309 56.100 0.109 0.000 1.071 2106 R CB -0.154 30.227 30.300 0.134 0.000 1.116 2106 R HN 0.595 nan 8.270 nan 0.000 0.524 2107 Q N 1.265 121.102 119.800 0.062 0.000 2.402 2107 Q HA 0.097 4.437 4.340 0.001 0.000 0.238 2107 Q C 0.790 176.810 176.000 0.034 0.000 1.126 2107 Q CA 0.189 56.018 55.803 0.043 0.000 0.904 2107 Q CB 0.823 29.591 28.738 0.050 0.000 1.357 2107 Q HN 0.041 nan 8.270 nan 0.000 0.491 2108 T N 1.383 115.951 114.554 0.023 0.000 2.653 2108 T HA -0.189 4.162 4.350 0.001 0.000 0.268 2108 T C 0.919 175.641 174.700 0.036 0.000 1.035 2108 T CA 1.768 63.880 62.100 0.020 0.000 1.154 2108 T CB 0.090 68.958 68.868 0.001 0.000 0.862 2108 T HN 0.474 nan 8.240 nan 0.000 0.441 2109 D N 0.547 120.970 120.400 0.039 0.000 2.178 2109 D HA -0.013 4.627 4.640 0.001 0.000 0.201 2109 D C 2.024 178.351 176.300 0.045 0.000 0.980 2109 D CA 0.477 54.507 54.000 0.049 0.000 0.842 2109 D CB -0.360 40.472 40.800 0.054 0.000 0.948 2109 D HN 0.189 nan 8.370 nan 0.000 0.472 2110 L N 0.606 121.850 121.223 0.035 0.000 2.027 2110 L HA -0.077 4.263 4.340 0.001 0.000 0.206 2110 L C 2.269 179.149 176.870 0.017 0.000 1.074 2110 L CA 1.257 56.107 54.840 0.017 0.000 0.745 2110 L CB -0.569 41.496 42.059 0.010 0.000 0.898 2110 L HN -0.018 nan 8.230 nan 0.000 0.433 2111 L N -1.327 119.912 121.223 0.027 0.000 2.012 2111 L HA -0.274 4.067 4.340 0.001 0.000 0.210 2111 L C 2.504 179.403 176.870 0.048 0.000 1.073 2111 L CA 1.465 56.325 54.840 0.033 0.000 0.748 2111 L CB -0.691 41.390 42.059 0.037 0.000 0.891 2111 L HN 0.274 nan 8.230 nan 0.000 0.431 2112 L N -0.508 120.754 121.223 0.064 0.000 2.046 2112 L HA -0.209 4.131 4.340 0.001 0.000 0.208 2112 L C 2.909 179.814 176.870 0.058 0.000 1.077 2112 L CA 1.160 56.050 54.840 0.083 0.000 0.747 2112 L CB -0.798 41.328 42.059 0.112 0.000 0.896 2112 L HN 0.266 nan 8.230 nan 0.000 0.432 2113 A N 0.120 122.968 122.820 0.047 0.000 1.908 2113 A HA -0.211 4.110 4.320 0.001 0.000 0.218 2113 A C 2.536 180.135 177.584 0.025 0.000 1.181 2113 A CA 1.912 53.971 52.037 0.037 0.000 0.627 2113 A CB -0.715 18.302 19.000 0.030 0.000 0.818 2113 A HN 0.420 nan 8.150 nan 0.000 0.445 2114 A N -0.227 122.604 122.820 0.018 0.000 1.877 2114 A HA 0.176 4.497 4.320 0.001 0.000 0.216 2114 A C 2.523 180.123 177.584 0.026 0.000 1.186 2114 A CA 2.102 54.148 52.037 0.015 0.000 0.620 2114 A CB -1.063 17.944 19.000 0.010 0.000 0.822 2114 A HN 1.097 nan 8.150 nan 0.000 0.443 2115 A N -0.058 122.782 122.820 0.033 0.000 1.933 2115 A HA -0.187 4.134 4.320 0.001 0.000 0.218 2115 A C 2.122 179.719 177.584 0.022 0.000 1.175 2115 A CA 2.044 54.100 52.037 0.032 0.000 0.628 2115 A CB -0.490 18.535 19.000 0.041 0.000 0.814 2115 A HN 0.590 nan 8.150 nan 0.000 0.444 2116 K N 0.028 120.442 120.400 0.022 0.000 2.103 2116 K HA -0.182 4.139 4.320 0.001 0.000 0.207 2116 K C 1.955 178.564 176.600 0.015 0.000 1.048 2116 K CA 2.036 58.332 56.287 0.015 0.000 0.930 2116 K CB -0.440 32.073 32.500 0.022 0.000 0.716 2116 K HN 0.606 nan 8.250 nan 0.000 0.444 2117 T N -3.012 111.554 114.554 0.020 0.000 2.977 2117 T HA 0.008 4.358 4.350 0.001 0.000 0.271 2117 T C 1.513 176.225 174.700 0.020 0.000 1.105 2117 T CA 1.220 63.333 62.100 0.020 0.000 1.116 2117 T CB -0.439 68.442 68.868 0.021 0.000 0.878 2117 T HN 0.500 nan 8.240 nan 0.000 0.509 2118 G N 1.171 109.982 108.800 0.019 0.000 2.199 2118 G HA2 -0.246 3.715 3.960 0.001 0.000 0.254 2118 G HA3 -0.246 3.715 3.960 0.001 0.000 0.254 2118 G C 0.376 175.293 174.900 0.029 0.000 0.982 2118 G CA 0.031 45.143 45.100 0.020 0.000 0.632 2118 G HN 0.640 nan 8.290 nan 0.000 0.529 2119 R N 0.698 121.219 120.500 0.035 0.000 2.652 2119 R HA 0.691 5.032 4.340 0.001 0.000 0.271 2119 R C 0.926 177.263 176.300 0.062 0.000 1.129 2119 R CA 0.267 56.395 56.100 0.047 0.000 1.200 2119 R CB -0.056 30.271 30.300 0.045 0.000 1.146 2119 R HN 0.709 nan 8.270 nan 0.000 0.581 2120 A N 0.697 123.569 122.820 0.087 0.000 2.351 2120 A HA 0.422 4.742 4.320 0.001 0.000 0.257 2120 A C -0.342 177.321 177.584 0.131 0.000 1.087 2120 A CA -0.401 51.717 52.037 0.134 0.000 0.798 2120 A CB 0.590 19.723 19.000 0.223 0.000 1.033 2120 A HN 0.324 nan 8.150 nan 0.000 0.488 2121 V N 2.508 122.515 119.914 0.155 0.000 2.531 2121 V HA 0.379 4.500 4.120 0.001 0.000 0.301 2121 V C -0.066 176.141 176.094 0.189 0.000 1.034 2121 V CA -0.753 61.622 62.300 0.124 0.000 0.865 2121 V CB 1.631 33.500 31.823 0.076 0.000 0.995 2121 V HN 0.971 nan 8.190 nan 0.000 0.424 2122 N N 3.378 122.152 118.700 0.123 0.000 2.479 2122 N HA 0.560 5.301 4.740 0.001 0.000 0.261 2122 N C -1.415 174.108 175.510 0.022 0.000 0.979 2122 N CA -0.396 52.720 53.050 0.110 0.000 0.930 2122 N CB 1.878 40.367 38.487 0.004 0.000 1.172 2122 N HN 0.450 nan 8.380 nan 0.000 0.499 2123 V N 3.730 123.657 119.914 0.021 0.000 2.394 2123 V HA 0.272 4.393 4.120 0.001 0.000 0.282 2123 V C 0.222 176.260 176.094 -0.093 0.000 1.031 2123 V CA -0.783 61.496 62.300 -0.034 0.000 0.881 2123 V CB 1.200 33.017 31.823 -0.010 0.000 0.982 2123 V HN 0.577 nan 8.190 nan 0.000 0.451 2124 K N 3.889 124.193 120.400 -0.159 0.000 2.383 2124 K HA 0.163 4.484 4.320 0.001 0.000 0.286 2124 K C 0.107 176.576 176.600 -0.218 0.000 1.051 2124 K CA -0.135 56.007 56.287 -0.242 0.000 0.974 2124 K CB 0.666 32.971 32.500 -0.325 0.000 0.968 2124 K HN 0.630 nan 8.250 nan 0.000 0.475 2125 K N 1.828 122.096 120.400 -0.221 0.000 2.412 2125 K HA 0.078 4.399 4.320 0.001 0.000 0.284 2125 K C 0.304 176.696 176.600 -0.346 0.000 1.046 2125 K CA -0.112 56.034 56.287 -0.235 0.000 0.999 2125 K CB 0.393 32.774 32.500 -0.197 0.000 0.941 2125 K HN 0.694 nan 8.250 nan 0.000 0.474 2126 G N 3.280 111.788 108.800 -0.486 0.000 2.391 2126 G HA2 -0.104 3.857 3.960 0.001 0.000 0.234 2126 G HA3 -0.104 3.857 3.960 0.001 0.000 0.234 2126 G C 0.207 174.636 174.900 -0.785 0.000 1.284 2126 G CA -0.386 44.188 45.100 -0.876 0.000 0.873 2126 G HN 0.812 nan 8.290 nan 0.000 0.549 2127 Q N 0.791 120.286 119.800 -0.508 0.000 2.439 2127 Q HA -0.048 4.293 4.340 0.001 0.000 0.211 2127 Q C 1.641 177.553 176.000 -0.147 0.000 0.978 2127 Q CA 1.318 56.996 55.803 -0.208 0.000 0.897 2127 Q CB -0.169 28.589 28.738 0.033 0.000 0.956 2127 Q HN 0.830 nan 8.270 nan 0.000 0.483 2128 F N -2.849 117.118 119.950 0.029 0.000 2.727 2128 F HA 0.357 4.884 4.527 0.001 0.000 0.302 2128 F C 0.157 175.941 175.800 -0.026 0.000 1.097 2128 F CA -0.818 57.188 58.000 0.009 0.000 1.330 2128 F CB -0.003 39.009 39.000 0.020 0.000 1.084 2128 F HN -0.145 nan 8.300 nan 0.000 0.578 2129 L N 1.723 122.765 121.223 -0.301 0.000 2.357 2129 L HA 0.709 5.049 4.340 0.001 0.000 0.273 2129 L C 0.265 176.992 176.870 -0.239 0.000 1.080 2129 L CA -1.167 53.559 54.840 -0.189 0.000 0.803 2129 L CB 1.209 43.096 42.059 -0.287 0.000 1.174 2129 L HN 0.222 nan 8.230 nan 0.000 0.443 2130 A N 4.821 127.463 122.820 -0.298 0.000 2.304 2130 A HA 0.614 4.934 4.320 0.001 0.000 0.301 2130 A C -1.848 175.304 177.584 -0.721 0.000 1.132 2130 A CA -1.255 50.399 52.037 -0.639 0.000 0.819 2130 A CB 0.189 18.679 19.000 -0.849 0.000 1.094 2130 A HN 0.712 nan 8.150 nan 0.000 0.492 2131 P HA -0.204 nan 4.420 nan 0.000 0.216 2131 P C 0.919 178.190 177.300 -0.048 0.000 1.154 2131 P CA 2.277 65.148 63.100 -0.382 0.000 0.865 2131 P CB -0.121 31.381 31.700 -0.331 0.000 0.789 2132 W N -0.646 120.791 121.300 0.229 0.000 2.595 2132 W HA 0.019 4.680 4.660 0.001 0.000 0.257 2132 W C 1.054 177.632 176.519 0.098 0.000 1.267 2132 W CA 0.512 58.042 57.345 0.308 0.000 1.300 2132 W CB -1.771 27.817 29.460 0.213 0.000 1.120 2132 W HN -0.110 nan 8.180 nan 0.000 0.618 2133 D N 0.984 121.391 120.400 0.011 0.000 2.310 2133 D HA -0.141 4.500 4.640 0.001 0.000 0.212 2133 D C 2.141 178.405 176.300 -0.061 0.000 0.965 2133 D CA 2.084 56.085 54.000 0.001 0.000 0.879 2133 D CB -0.583 40.198 40.800 -0.032 0.000 0.921 2133 D HN 0.387 nan 8.370 nan 0.000 0.510 2134 T N -1.563 112.980 114.554 -0.019 0.000 3.072 2134 T HA -0.074 4.277 4.350 0.001 0.000 0.266 2134 T C 1.717 176.228 174.700 -0.316 0.000 1.127 2134 T CA 0.585 62.671 62.100 -0.023 0.000 1.107 2134 T CB 0.095 69.081 68.868 0.197 0.000 0.910 2134 T HN 0.085 nan 8.240 nan 0.000 0.513 2135 K N 1.599 121.518 120.400 -0.803 0.000 2.063 2135 K HA -0.154 4.167 4.320 0.001 0.000 0.208 2135 K C 2.062 178.303 176.600 -0.599 0.000 1.048 2135 K CA 1.794 57.232 56.287 -1.415 0.000 0.928 2135 K CB -0.372 31.194 32.500 -1.556 0.000 0.713 2135 K HN 0.529 nan 8.250 nan 0.000 0.442 2136 N N -0.288 118.199 118.700 -0.354 0.000 2.244 2136 N HA -0.122 4.619 4.740 0.001 0.000 0.183 2136 N C 1.645 177.076 175.510 -0.132 0.000 1.016 2136 N CA 0.827 53.761 53.050 -0.193 0.000 0.866 2136 N CB 0.167 38.579 38.487 -0.124 0.000 0.980 2136 N HN -0.027 nan 8.380 nan 0.000 0.430 2137 V N 0.615 120.457 119.914 -0.120 0.000 2.270 2137 V HA -0.186 3.935 4.120 0.001 0.000 0.245 2137 V C 2.253 178.324 176.094 -0.039 0.000 1.043 2137 V CA 1.312 63.580 62.300 -0.054 0.000 1.014 2137 V CB -0.491 31.315 31.823 -0.028 0.000 0.645 2137 V HN 0.122 nan 8.190 nan 0.000 0.447 2138 V N 0.203 120.081 119.914 -0.059 0.000 2.332 2138 V HA -0.339 3.782 4.120 0.001 0.000 0.248 2138 V C 2.490 178.579 176.094 -0.008 0.000 1.055 2138 V CA 2.451 64.746 62.300 -0.009 0.000 1.038 2138 V CB -0.675 31.159 31.823 0.020 0.000 0.651 2138 V HN 0.720 nan 8.190 nan 0.000 0.450 2139 E N 0.260 120.428 120.200 -0.053 0.000 2.085 2139 E HA -0.271 4.079 4.350 0.001 0.000 0.194 2139 E C 2.255 178.879 176.600 0.039 0.000 0.994 2139 E CA 1.492 57.882 56.400 -0.017 0.000 0.801 2139 E CB -0.065 29.597 29.700 -0.064 0.000 0.743 2139 E HN 0.607 nan 8.360 nan 0.000 0.453 2140 K N 0.223 120.632 120.400 0.014 0.000 2.026 2140 K HA -0.132 4.188 4.320 0.001 0.000 0.208 2140 K C 2.336 179.015 176.600 0.133 0.000 1.048 2140 K CA 1.330 57.649 56.287 0.053 0.000 0.929 2140 K CB -0.169 32.339 32.500 0.012 0.000 0.713 2140 K HN 0.222 nan 8.250 nan 0.000 0.439 2141 L N 1.218 122.491 121.223 0.083 0.000 2.046 2141 L HA -0.206 4.134 4.340 0.001 0.000 0.208 2141 L C 2.327 179.247 176.870 0.084 0.000 1.077 2141 L CA 1.388 56.276 54.840 0.080 0.000 0.747 2141 L CB -0.330 41.761 42.059 0.053 0.000 0.896 2141 L HN 0.161 nan 8.230 nan 0.000 0.432 2142 K N -0.550 119.901 120.400 0.085 0.000 2.057 2142 K HA -0.199 4.122 4.320 0.001 0.000 0.206 2142 K C 2.079 178.731 176.600 0.087 0.000 1.050 2142 K CA 1.433 57.762 56.287 0.070 0.000 0.935 2142 K CB -0.288 32.250 32.500 0.064 0.000 0.715 2142 K HN 0.120 nan 8.250 nan 0.000 0.439 2143 F N 1.382 121.331 119.950 -0.003 0.000 2.216 2143 F HA -0.099 4.429 4.527 0.001 0.000 0.300 2143 F C 1.852 177.654 175.800 0.003 0.000 1.085 2143 F CA 1.557 59.557 58.000 -0.001 0.000 1.326 2143 F CB -0.274 38.723 39.000 -0.004 0.000 1.027 2143 F HN -0.028 nan 8.300 nan 0.000 0.497 2144 G N -1.067 107.797 108.800 0.107 0.000 2.920 2144 G HA2 0.266 4.227 3.960 0.001 0.000 0.208 2144 G HA3 0.266 4.227 3.960 0.001 0.000 0.208 2144 G C 1.283 176.157 174.900 -0.043 0.000 1.159 2144 G CA 0.351 45.465 45.100 0.023 0.000 0.784 2144 G HN 0.969 nan 8.290 nan 0.000 0.535 2145 G N -1.482 107.288 108.800 -0.049 0.000 2.144 2145 G HA2 0.153 4.114 3.960 0.001 0.000 0.218 2145 G HA3 0.153 4.114 3.960 0.001 0.000 0.218 2145 G C 0.429 175.324 174.900 -0.009 0.000 0.988 2145 G CA 0.121 45.194 45.100 -0.043 0.000 0.659 2145 G HN 1.260 nan 8.290 nan 0.000 0.522 2146 A N -0.244 122.583 122.820 0.010 0.000 2.388 2146 A HA 0.749 5.070 4.320 0.001 0.000 0.257 2146 A C 1.085 178.675 177.584 0.011 0.000 1.095 2146 A CA 0.911 52.959 52.037 0.019 0.000 0.791 2146 A CB 0.499 19.518 19.000 0.032 0.000 1.029 2146 A HN 0.381 nan 8.150 nan 0.000 0.489 2147 K N 0.482 120.887 120.400 0.007 0.000 2.424 2147 K HA 0.116 4.437 4.320 0.001 0.000 0.198 2147 K C 0.201 176.786 176.600 -0.024 0.000 1.190 2147 K CA 0.281 56.566 56.287 -0.003 0.000 0.935 2147 K CB 0.680 33.180 32.500 0.000 0.000 1.087 2147 K HN 0.786 nan 8.250 nan 0.000 0.524 2148 E N 2.115 122.304 120.200 -0.020 0.000 2.101 2148 E HA 0.292 4.642 4.350 0.001 0.000 0.260 2148 E C -1.252 175.293 176.600 -0.091 0.000 0.897 2148 E CA -0.238 56.116 56.400 -0.076 0.000 0.744 2148 E CB 0.552 30.256 29.700 0.006 0.000 1.140 2148 E HN 0.087 nan 8.360 nan 0.000 0.419 2149 I N 4.407 124.859 120.570 -0.197 0.000 2.433 2149 I HA 0.353 4.524 4.170 0.001 0.000 0.292 2149 I C -1.020 174.941 176.117 -0.260 0.000 1.001 2149 I CA -0.882 60.351 61.300 -0.112 0.000 1.119 2149 I CB 1.130 39.117 38.000 -0.022 0.000 1.289 2149 I HN 0.472 nan 8.210 nan 0.000 0.438 2150 Y N 5.502 125.814 120.300 0.020 0.000 2.524 2150 Y HA 0.678 5.229 4.550 0.001 0.000 0.344 2150 Y C -0.485 175.417 175.900 0.003 0.000 1.012 2150 Y CA -0.869 57.235 58.100 0.007 0.000 1.068 2150 Y CB 1.856 40.309 38.460 -0.010 0.000 1.249 2150 Y HN 0.273 nan 8.280 nan 0.000 0.468 2151 L N 2.031 123.349 121.223 0.159 0.000 2.381 2151 L HA 0.584 4.924 4.340 0.001 0.000 0.274 2151 L C -0.776 176.108 176.870 0.024 0.000 0.988 2151 L CA -0.534 54.351 54.840 0.074 0.000 0.824 2151 L CB 2.212 44.323 42.059 0.087 0.000 1.263 2151 L HN 0.647 nan 8.230 nan 0.000 0.410 2152 T N 1.250 115.771 114.554 -0.055 0.000 2.779 2152 T HA 0.242 4.593 4.350 0.001 0.000 0.280 2152 T C -0.396 174.206 174.700 -0.162 0.000 0.987 2152 T CA -0.443 61.582 62.100 -0.125 0.000 0.966 2152 T CB 1.592 70.314 68.868 -0.244 0.000 0.933 2152 T HN 0.412 nan 8.240 nan 0.000 0.442 2153 E N 2.639 122.768 120.200 -0.119 0.000 2.259 2153 E HA 0.296 4.647 4.350 0.001 0.000 0.281 2153 E C 0.455 176.925 176.600 -0.216 0.000 1.037 2153 E CA -0.527 55.799 56.400 -0.122 0.000 0.854 2153 E CB 0.458 30.155 29.700 -0.005 0.000 1.051 2153 E HN 0.622 nan 8.360 nan 0.000 0.409 2154 R N 2.997 123.356 120.500 -0.235 0.000 2.592 2154 R HA 0.486 4.827 4.340 0.001 0.000 0.439 2154 R C 0.093 176.286 176.300 -0.178 0.000 0.995 2154 R CA -0.171 55.775 56.100 -0.257 0.000 1.141 2154 R CB 0.056 30.163 30.300 -0.322 0.000 1.495 2154 R HN 0.662 nan 8.270 nan 0.000 0.579 2155 G N 0.011 108.715 108.800 -0.159 0.000 2.663 2155 G HA2 -0.028 3.933 3.960 0.001 0.000 0.686 2155 G HA3 -0.028 3.933 3.960 0.001 0.000 0.686 2155 G C -0.867 173.959 174.900 -0.124 0.000 1.246 2155 G CA -0.441 44.583 45.100 -0.126 0.000 0.795 2155 G HN 0.192 nan 8.290 nan 0.000 0.627 2156 T N 0.993 115.492 114.554 -0.092 0.000 2.893 2156 T HA 0.661 5.012 4.350 0.001 0.000 0.291 2156 T C 0.477 175.196 174.700 0.032 0.000 1.028 2156 T CA -0.041 62.022 62.100 -0.062 0.000 0.995 2156 T CB 1.687 70.502 68.868 -0.088 0.000 1.051 2156 T HN 0.871 nan 8.240 nan 0.000 0.470 2157 T N 2.968 117.560 114.554 0.065 0.000 2.871 2157 T HA 0.168 4.519 4.350 0.001 0.000 0.296 2157 T C -0.759 174.047 174.700 0.178 0.000 0.998 2157 T CA 0.513 62.684 62.100 0.119 0.000 1.162 2157 T CB -0.435 68.504 68.868 0.120 0.000 0.947 2157 T HN 0.417 nan 8.240 nan 0.000 0.536 2158 F N 3.941 123.882 119.950 -0.015 0.000 2.691 2158 F HA 0.521 5.048 4.527 0.001 0.000 0.371 2158 F C 0.667 176.432 175.800 -0.058 0.000 1.159 2158 F CA 0.025 58.002 58.000 -0.038 0.000 1.174 2158 F CB -0.071 38.909 39.000 -0.033 0.000 1.419 2158 F HN 0.928 nan 8.300 nan 0.000 0.514 2159 G N 2.925 111.496 108.800 -0.382 0.000 2.645 2159 G HA2 -0.289 3.671 3.960 0.001 0.000 0.239 2159 G HA3 -0.289 3.671 3.960 0.001 0.000 0.239 2159 G C -1.313 173.422 174.900 -0.274 0.000 1.331 2159 G CA -0.368 44.434 45.100 -0.496 0.000 0.890 2159 G HN 0.522 nan 8.290 nan 0.000 0.572 2160 Y N 1.621 121.884 120.300 -0.062 0.000 2.308 2160 Y HA 0.452 5.002 4.550 0.001 0.000 0.329 2160 Y C 1.497 177.406 175.900 0.015 0.000 1.111 2160 Y CA -0.471 57.621 58.100 -0.013 0.000 1.179 2160 Y CB 0.914 39.364 38.460 -0.017 0.000 1.201 2160 Y HN 0.650 nan 8.280 nan 0.000 0.483 2161 N N 1.625 120.457 118.700 0.221 0.000 2.721 2161 N HA -0.322 4.419 4.740 0.001 0.000 0.249 2161 N C -0.745 174.846 175.510 0.135 0.000 1.072 2161 N CA 1.020 54.160 53.050 0.149 0.000 0.710 2161 N CB -1.131 37.428 38.487 0.120 0.000 0.993 2161 N HN 0.888 nan 8.380 nan 0.000 0.547 2162 N N -0.360 118.426 118.700 0.144 0.000 2.405 2162 N HA 0.577 5.317 4.740 0.001 0.000 0.274 2162 N C -1.492 174.122 175.510 0.174 0.000 1.170 2162 N CA -0.538 52.605 53.050 0.156 0.000 0.848 2162 N CB 1.636 40.233 38.487 0.184 0.000 1.629 2162 N HN -0.018 nan 8.380 nan 0.000 0.481 2163 L N 1.848 123.156 121.223 0.141 0.000 2.370 2163 L HA 0.698 5.038 4.340 0.001 0.000 0.266 2163 L C -0.772 176.111 176.870 0.022 0.000 1.002 2163 L CA -0.989 53.908 54.840 0.094 0.000 0.818 2163 L CB 2.099 44.186 42.059 0.046 0.000 1.325 2163 L HN 0.275 nan 8.230 nan 0.000 0.418 2164 V N 2.423 122.299 119.914 -0.064 0.000 2.823 2164 V HA 0.571 4.692 4.120 0.001 0.000 0.312 2164 V C -0.900 175.074 176.094 -0.200 0.000 1.072 2164 V CA -0.507 61.658 62.300 -0.225 0.000 0.937 2164 V CB 2.638 34.132 31.823 -0.548 0.000 1.013 2164 V HN 0.405 nan 8.190 nan 0.000 0.430 2165 V N 4.888 124.667 119.914 -0.225 0.000 2.328 2165 V HA 0.375 4.496 4.120 0.001 0.000 0.278 2165 V C -0.367 175.496 176.094 -0.386 0.000 1.021 2165 V CA -0.462 61.630 62.300 -0.348 0.000 0.838 2165 V CB 1.373 32.902 31.823 -0.490 0.000 0.999 2165 V HN 0.910 nan 8.190 nan 0.000 0.447 2166 D N 4.146 124.353 120.400 -0.322 0.000 2.441 2166 D HA 0.232 4.873 4.640 0.001 0.000 0.221 2166 D C 0.723 176.891 176.300 -0.219 0.000 1.156 2166 D CA -0.351 53.533 54.000 -0.194 0.000 0.896 2166 D CB 0.542 41.256 40.800 -0.144 0.000 1.028 2166 D HN 0.401 nan 8.370 nan 0.000 0.509 2167 F N 1.903 121.800 119.950 -0.089 0.000 2.583 2167 F HA -0.010 4.518 4.527 0.001 0.000 0.297 2167 F C 2.247 178.002 175.800 -0.075 0.000 1.131 2167 F CA 0.442 58.384 58.000 -0.096 0.000 1.467 2167 F CB 0.016 38.942 39.000 -0.123 0.000 1.097 2167 F HN 0.278 nan 8.300 nan 0.000 0.586 2168 R N -0.234 120.310 120.500 0.073 0.000 2.189 2168 R HA -0.128 4.213 4.340 0.001 0.000 0.223 2168 R C 2.474 178.782 176.300 0.014 0.000 1.092 2168 R CA 1.256 57.389 56.100 0.054 0.000 0.989 2168 R CB -0.485 29.859 30.300 0.073 0.000 0.876 2168 R HN 0.351 nan 8.270 nan 0.000 0.457 2169 S N 0.540 116.214 115.700 -0.042 0.000 2.402 2169 S HA -0.107 4.364 4.470 0.001 0.000 0.229 2169 S C 1.847 176.404 174.600 -0.072 0.000 1.021 2169 S CA 0.710 58.862 58.200 -0.079 0.000 0.974 2169 S CB -0.134 62.982 63.200 -0.140 0.000 0.800 2169 S HN 0.059 nan 8.310 nan 0.000 0.484 2170 L N 2.800 123.994 121.223 -0.050 0.000 1.970 2170 L HA 0.038 4.378 4.340 0.001 0.000 0.212 2170 L C -0.335 176.479 176.870 -0.093 0.000 1.071 2170 L CA 1.961 56.770 54.840 -0.051 0.000 0.751 2170 L CB -1.669 40.385 42.059 -0.008 0.000 0.889 2170 L HN 0.271 nan 8.230 nan 0.000 0.432 2171 P HA -0.145 nan 4.420 nan 0.000 0.217 2171 P C 2.085 179.286 177.300 -0.165 0.000 1.150 2171 P CA 1.569 64.606 63.100 -0.106 0.000 0.832 2171 P CB 0.087 31.752 31.700 -0.058 0.000 0.787 2172 I N -0.641 119.849 120.570 -0.134 0.000 2.179 2172 I HA -0.218 3.953 4.170 0.001 0.000 0.242 2172 I C 2.735 178.539 176.117 -0.522 0.000 1.088 2172 I CA 1.641 62.826 61.300 -0.191 0.000 1.357 2172 I CB -0.627 37.393 38.000 0.033 0.000 1.051 2172 I HN -0.157 nan 8.210 nan 0.000 0.409 2173 M N 0.008 119.381 119.600 -0.377 0.000 2.394 2173 M HA -0.149 4.332 4.480 0.001 0.000 0.264 2173 M C 2.092 178.009 176.300 -0.639 0.000 1.073 2173 M CA 1.065 56.064 55.300 -0.501 0.000 1.111 2173 M CB -0.281 32.248 32.600 -0.118 0.000 1.401 2173 M HN -0.007 nan 8.290 nan 0.000 0.448 2174 K N 1.121 121.266 120.400 -0.425 0.000 2.360 2174 K HA -0.129 4.192 4.320 0.001 0.000 0.201 2174 K C 1.635 178.013 176.600 -0.370 0.000 1.046 2174 K CA 1.404 57.508 56.287 -0.305 0.000 0.945 2174 K CB -0.156 32.226 32.500 -0.195 0.000 0.750 2174 K HN 0.425 nan 8.250 nan 0.000 0.464 2175 Q N -1.215 118.210 119.800 -0.625 0.000 2.226 2175 Q HA -0.142 4.199 4.340 0.001 0.000 0.204 2175 Q C 0.762 176.625 176.000 -0.229 0.000 0.975 2175 Q CA 1.747 57.258 55.803 -0.487 0.000 0.866 2175 Q CB -0.106 28.225 28.738 -0.678 0.000 0.915 2175 Q HN 0.662 nan 8.270 nan 0.000 0.440 2176 W N -2.382 118.923 121.300 0.008 0.000 2.534 2176 W HA 0.694 5.354 4.660 0.001 0.000 0.339 2176 W C 0.005 176.512 176.519 -0.021 0.000 0.961 2176 W CA -0.113 57.232 57.345 -0.000 0.000 1.545 2176 W CB 0.366 29.833 29.460 0.011 0.000 1.104 2176 W HN -0.093 nan 8.180 nan 0.000 0.538 2177 A N 0.835 123.693 122.820 0.064 0.000 2.581 2177 A HA 0.652 4.973 4.320 0.001 0.000 0.290 2177 A C -1.094 176.455 177.584 -0.058 0.000 1.119 2177 A CA -1.229 50.827 52.037 0.032 0.000 0.670 2177 A CB 1.024 20.096 19.000 0.119 0.000 1.280 2177 A HN 0.014 nan 8.150 nan 0.000 0.425 2178 K N 0.449 120.781 120.400 -0.113 0.000 2.249 2178 K HA 0.515 4.836 4.320 0.001 0.000 0.280 2178 K C -0.889 175.736 176.600 0.042 0.000 1.033 2178 K CA -0.261 55.979 56.287 -0.078 0.000 0.946 2178 K CB 1.352 33.725 32.500 -0.212 0.000 1.005 2178 K HN 0.363 nan 8.250 nan 0.000 0.469 2179 V N 4.912 124.853 119.914 0.045 0.000 2.427 2179 V HA 0.334 4.455 4.120 0.001 0.000 0.286 2179 V C -0.050 176.093 176.094 0.081 0.000 1.034 2179 V CA -0.810 61.523 62.300 0.054 0.000 0.893 2179 V CB 1.251 33.072 31.823 -0.003 0.000 0.982 2179 V HN 0.593 nan 8.190 nan 0.000 0.452 2180 I N 4.212 124.826 120.570 0.073 0.000 2.530 2180 I HA 0.378 4.549 4.170 0.001 0.000 0.297 2180 I C -0.886 175.275 176.117 0.074 0.000 1.011 2180 I CA -0.821 60.506 61.300 0.045 0.000 1.107 2180 I CB 1.821 39.814 38.000 -0.012 0.000 1.285 2180 I HN 0.675 nan 8.210 nan 0.000 0.436 2181 Y N 4.895 125.194 120.300 -0.001 0.000 2.342 2181 Y HA 0.319 4.869 4.550 0.001 0.000 0.338 2181 Y C -0.024 175.896 175.900 0.033 0.000 0.965 2181 Y CA -0.864 57.240 58.100 0.006 0.000 1.159 2181 Y CB 0.819 39.326 38.460 0.079 0.000 1.157 2181 Y HN 0.496 nan 8.280 nan 0.000 0.486 2182 D N 5.261 125.253 120.400 -0.680 0.000 2.402 2182 D HA 0.209 4.850 4.640 0.001 0.000 0.235 2182 D C 0.593 176.396 176.300 -0.828 0.000 1.226 2182 D CA 0.365 54.031 54.000 -0.556 0.000 0.918 2182 D CB 1.205 41.660 40.800 -0.573 0.000 1.043 2182 D HN 0.806 nan 8.370 nan 0.000 0.506 2183 A N 3.148 125.660 122.820 -0.514 0.000 2.119 2183 A HA -0.052 4.269 4.320 0.001 0.000 0.216 2183 A C 1.953 179.493 177.584 -0.073 0.000 1.152 2183 A CA 0.924 52.808 52.037 -0.255 0.000 0.708 2183 A CB 0.093 19.178 19.000 0.142 0.000 0.805 2183 A HN 0.545 nan 8.150 nan 0.000 0.460 2184 T N -0.984 113.523 114.554 -0.078 0.000 2.837 2184 T HA -0.012 4.338 4.350 0.001 0.000 0.248 2184 T C 1.649 176.222 174.700 -0.211 0.000 1.033 2184 T CA 1.588 63.609 62.100 -0.133 0.000 1.150 2184 T CB -0.372 68.384 68.868 -0.186 0.000 0.865 2184 T HN 0.696 nan 8.240 nan 0.000 0.425 2185 H N 0.714 119.736 119.070 -0.079 0.000 2.524 2185 H HA 0.209 4.766 4.556 0.001 0.000 0.282 2185 H C 2.378 177.643 175.328 -0.106 0.000 1.016 2185 H CA 0.719 56.705 56.048 -0.104 0.000 1.270 2185 H CB -0.020 29.635 29.762 -0.178 0.000 1.394 2185 H HN 0.164 nan 8.280 nan 0.000 0.568 2186 S N 0.160 115.831 115.700 -0.049 0.000 2.474 2186 S HA -0.090 4.381 4.470 0.001 0.000 0.235 2186 S C 1.927 176.552 174.600 0.042 0.000 0.997 2186 S CA 1.101 59.282 58.200 -0.031 0.000 0.949 2186 S CB -0.046 63.128 63.200 -0.043 0.000 0.766 2186 S HN 0.479 nan 8.310 nan 0.000 0.517 2187 V N 0.307 120.261 119.914 0.066 0.000 3.578 2187 V HA 0.239 4.359 4.120 0.001 0.000 0.290 2187 V C 0.449 176.604 176.094 0.102 0.000 1.376 2187 V CA -0.513 61.858 62.300 0.118 0.000 1.083 2187 V CB -0.916 31.021 31.823 0.189 0.000 0.911 2187 V HN 0.498 nan 8.190 nan 0.000 0.433 2188 Q N 1.364 121.205 119.800 0.069 0.000 2.354 2188 Q HA 0.545 4.886 4.340 0.001 0.000 0.244 2188 Q C -0.735 175.317 176.000 0.087 0.000 0.969 2188 Q CA -0.449 55.397 55.803 0.072 0.000 0.885 2188 Q CB 1.344 30.127 28.738 0.075 0.000 1.241 2188 Q HN 0.528 nan 8.270 nan 0.000 0.461 2189 L N 3.039 124.316 121.223 0.090 0.000 2.313 2189 L HA 0.414 4.755 4.340 0.001 0.000 0.273 2189 L C -2.273 174.654 176.870 0.096 0.000 1.028 2189 L CA -2.465 52.433 54.840 0.098 0.000 0.871 2189 L CB 1.245 43.362 42.059 0.097 0.000 1.242 2189 L HN 0.526 nan 8.230 nan 0.000 0.434 2190 P HA -0.063 nan 4.420 nan 0.000 0.258 2190 P C 1.045 178.405 177.300 0.101 0.000 1.172 2190 P CA 0.740 63.912 63.100 0.119 0.000 0.762 2190 P CB 0.594 32.383 31.700 0.149 0.000 0.764 2191 G N 3.457 112.310 108.800 0.089 0.000 2.244 2191 G HA2 -0.330 3.631 3.960 0.001 0.000 0.274 2191 G HA3 -0.330 3.631 3.960 0.001 0.000 0.274 2191 G C 1.313 176.245 174.900 0.055 0.000 1.002 2191 G CA 0.482 45.621 45.100 0.064 0.000 0.740 2191 G HN 0.725 nan 8.290 nan 0.000 0.516 2192 G N -0.698 108.140 108.800 0.064 0.000 2.470 2192 G HA2 0.068 4.029 3.960 0.001 0.000 0.220 2192 G HA3 0.068 4.029 3.960 0.001 0.000 0.220 2192 G C 1.179 176.107 174.900 0.047 0.000 1.121 2192 G CA 0.890 46.025 45.100 0.060 0.000 0.766 2192 G HN 0.513 nan 8.290 nan 0.000 0.553 2193 L N 0.810 122.059 121.223 0.043 0.000 2.848 2193 L HA 0.278 4.619 4.340 0.001 0.000 0.240 2193 L C 1.864 178.752 176.870 0.030 0.000 1.232 2193 L CA 0.840 55.702 54.840 0.035 0.000 1.031 2193 L CB -0.838 41.241 42.059 0.034 0.000 1.338 2193 L HN 0.401 nan 8.230 nan 0.000 0.509 2194 G N 1.898 110.715 108.800 0.027 0.000 4.886 2194 G HA2 -0.378 3.582 3.960 0.001 0.000 0.305 2194 G HA3 -0.378 3.582 3.960 0.001 0.000 0.305 2194 G C 0.712 175.625 174.900 0.022 0.000 1.483 2194 G CA 0.403 45.515 45.100 0.020 0.000 1.029 2194 G HN 0.472 nan 8.290 nan 0.000 0.746 2195 D N 1.967 122.384 120.400 0.028 0.000 2.325 2195 D HA 0.273 4.914 4.640 0.001 0.000 0.225 2195 D C 0.703 177.026 176.300 0.038 0.000 1.096 2195 D CA 0.742 54.761 54.000 0.031 0.000 0.844 2195 D CB 0.274 41.099 40.800 0.041 0.000 0.925 2195 D HN 0.641 nan 8.370 nan 0.000 0.513 2196 K N -0.781 119.643 120.400 0.041 0.000 2.579 2196 K HA 0.362 4.683 4.320 0.001 0.000 0.284 2196 K C -1.158 175.473 176.600 0.052 0.000 0.990 2196 K CA -0.762 55.554 56.287 0.048 0.000 0.880 2196 K CB 2.067 34.595 32.500 0.045 0.000 1.488 2196 K HN -0.217 nan 8.250 nan 0.000 0.425 2197 S N 0.100 115.836 115.700 0.061 0.000 2.585 2197 S HA 0.516 4.986 4.470 0.001 0.000 0.277 2197 S C 0.086 174.721 174.600 0.058 0.000 1.241 2197 S CA -0.638 57.603 58.200 0.068 0.000 1.041 2197 S CB 1.451 64.701 63.200 0.084 0.000 0.987 2197 S HN 0.688 nan 8.310 nan 0.000 0.512 2198 G N 0.262 109.099 108.800 0.061 0.000 2.736 2198 G HA2 0.826 4.787 3.960 0.001 0.000 0.229 2198 G HA3 0.826 4.787 3.960 0.001 0.000 0.229 2198 G C -0.088 174.847 174.900 0.059 0.000 1.380 2198 G CA -0.390 44.743 45.100 0.055 0.000 1.040 2198 G HN 1.075 nan 8.290 nan 0.000 0.568 2199 G N -2.005 106.833 108.800 0.065 0.000 2.340 2199 G HA2 0.445 4.405 3.960 0.001 0.000 0.298 2199 G HA3 0.445 4.405 3.960 0.001 0.000 0.298 2199 G C -1.290 173.663 174.900 0.087 0.000 1.498 2199 G CA -0.859 44.288 45.100 0.078 0.000 0.847 2199 G HN 0.552 nan 8.290 nan 0.000 0.594 2200 M N 1.447 121.127 119.600 0.134 0.000 1.999 2200 M HA 0.340 4.821 4.480 0.001 0.000 0.299 2200 M C 1.248 177.584 176.300 0.061 0.000 0.900 2200 M CA -0.714 54.655 55.300 0.115 0.000 0.904 2200 M CB 2.187 34.960 32.600 0.289 0.000 1.477 2200 M HN 0.693 nan 8.290 nan 0.000 0.403 2201 R N 2.291 122.784 120.500 -0.011 0.000 2.127 2201 R HA -0.169 4.172 4.340 0.001 0.000 0.238 2201 R C 1.757 178.021 176.300 -0.060 0.000 1.134 2201 R CA 2.332 58.423 56.100 -0.016 0.000 0.975 2201 R CB 0.131 30.414 30.300 -0.027 0.000 0.865 2201 R HN 0.799 nan 8.270 nan 0.000 0.447 2202 E N -0.628 119.438 120.200 -0.223 0.000 2.331 2202 E HA -0.200 4.151 4.350 0.001 0.000 0.199 2202 E C 0.743 177.154 176.600 -0.315 0.000 1.008 2202 E CA 1.018 57.217 56.400 -0.336 0.000 0.843 2202 E CB -0.191 29.169 29.700 -0.567 0.000 0.761 2202 E HN 0.399 nan 8.360 nan 0.000 0.507 2203 F N 0.584 120.587 119.950 0.088 0.000 2.749 2203 F HA 0.318 4.846 4.527 0.001 0.000 0.300 2203 F C 1.823 177.711 175.800 0.146 0.000 1.103 2203 F CA -0.527 57.534 58.000 0.102 0.000 1.342 2203 F CB -0.065 38.988 39.000 0.088 0.000 1.098 2203 F HN -0.057 nan 8.300 nan 0.000 0.586 2204 I N -0.419 120.315 120.570 0.273 0.000 2.099 2204 I HA -0.375 3.796 4.170 0.001 0.000 0.239 2204 I C 2.551 178.879 176.117 0.351 0.000 1.066 2204 I CA 1.889 63.348 61.300 0.265 0.000 1.324 2204 I CB -0.531 37.565 38.000 0.161 0.000 1.037 2204 I HN 0.140 nan 8.210 nan 0.000 0.401 2205 F N 1.932 121.953 119.950 0.119 0.000 2.075 2205 F HA -0.171 4.357 4.527 0.001 0.000 0.297 2205 F C -0.324 175.537 175.800 0.102 0.000 1.113 2205 F CA 1.307 59.366 58.000 0.098 0.000 1.218 2205 F CB -1.093 37.941 39.000 0.057 0.000 0.984 2205 F HN 0.016 nan 8.300 nan 0.000 0.472 2206 P HA -0.218 nan 4.420 nan 0.000 0.216 2206 P C 1.769 179.089 177.300 0.034 0.000 1.153 2206 P CA 1.646 64.740 63.100 -0.010 0.000 0.858 2206 P CB -0.114 31.639 31.700 0.088 0.000 0.789 2207 L N -1.542 119.787 121.223 0.176 0.000 2.156 2207 L HA -0.097 4.244 4.340 0.001 0.000 0.208 2207 L C 2.427 179.382 176.870 0.142 0.000 1.095 2207 L CA 1.058 56.018 54.840 0.201 0.000 0.770 2207 L CB -0.600 41.695 42.059 0.393 0.000 0.914 2207 L HN -0.021 nan 8.230 nan 0.000 0.439 2208 I N -0.261 120.478 120.570 0.281 0.000 2.439 2208 I HA -0.235 3.936 4.170 0.001 0.000 0.251 2208 I C 2.717 178.910 176.117 0.127 0.000 1.139 2208 I CA 0.902 62.385 61.300 0.305 0.000 1.438 2208 I CB -0.021 38.242 38.000 0.438 0.000 1.085 2208 I HN 0.225 nan 8.210 nan 0.000 0.427 2209 R N 0.501 121.033 120.500 0.053 0.000 2.092 2209 R HA -0.107 4.234 4.340 0.001 0.000 0.231 2209 R C 2.330 178.544 176.300 -0.142 0.000 1.119 2209 R CA 1.363 57.429 56.100 -0.057 0.000 0.970 2209 R CB -0.412 29.773 30.300 -0.193 0.000 0.864 2209 R HN 0.382 nan 8.270 nan 0.000 0.440 2210 A N 1.389 124.057 122.820 -0.254 0.000 1.933 2210 A HA -0.091 4.229 4.320 0.001 0.000 0.218 2210 A C 2.384 179.677 177.584 -0.486 0.000 1.175 2210 A CA 1.588 53.328 52.037 -0.494 0.000 0.628 2210 A CB -0.529 17.938 19.000 -0.889 0.000 0.814 2210 A HN 0.380 nan 8.150 nan 0.000 0.444 2211 A N 0.013 122.638 122.820 -0.324 0.000 1.883 2211 A HA -0.060 4.261 4.320 0.001 0.000 0.217 2211 A C 2.292 179.846 177.584 -0.050 0.000 1.186 2211 A CA 2.374 54.320 52.037 -0.152 0.000 0.624 2211 A CB -1.217 17.611 19.000 -0.288 0.000 0.822 2211 A HN 1.146 nan 8.150 nan 0.000 0.444 2212 V N -2.944 116.966 119.914 -0.006 0.000 2.719 2212 V HA 0.153 4.274 4.120 0.001 0.000 0.252 2212 V C 2.422 178.567 176.094 0.084 0.000 1.065 2212 V CA 1.439 63.766 62.300 0.045 0.000 1.086 2212 V CB -1.176 30.656 31.823 0.016 0.000 0.700 2212 V HN 0.486 nan 8.190 nan 0.000 0.467 2213 A N 0.589 123.410 122.820 0.002 0.000 1.929 2213 A HA -0.002 4.319 4.320 0.001 0.000 0.216 2213 A C 2.332 179.963 177.584 0.079 0.000 1.176 2213 A CA 1.927 53.990 52.037 0.042 0.000 0.628 2213 A CB -0.667 18.288 19.000 -0.075 0.000 0.816 2213 A HN 0.403 nan 8.150 nan 0.000 0.444 2214 V N -0.794 119.081 119.914 -0.064 0.000 2.270 2214 V HA 0.255 4.376 4.120 0.001 0.000 0.245 2214 V C 1.344 177.314 176.094 -0.208 0.000 1.043 2214 V CA 1.473 63.724 62.300 -0.083 0.000 1.014 2214 V CB -1.216 30.556 31.823 -0.085 0.000 0.645 2214 V HN 1.251 nan 8.190 nan 0.000 0.447 2215 G N -0.435 108.156 108.800 -0.349 0.000 3.313 2215 G HA2 0.151 4.112 3.960 0.001 0.000 0.659 2215 G HA3 0.151 4.112 3.960 0.001 0.000 0.659 2215 G C -0.823 173.854 174.900 -0.372 0.000 1.286 2215 G CA -0.642 43.943 45.100 -0.858 0.000 1.077 2215 G HN 1.068 nan 8.290 nan 0.000 0.551 2216 C N 0.475 119.671 119.300 -0.173 0.000 3.241 2216 C HA 0.832 5.293 4.460 0.001 0.000 0.312 2216 C C 0.594 175.681 174.990 0.163 0.000 1.350 2216 C CA -0.645 58.385 59.018 0.021 0.000 1.415 2216 C CB 1.937 29.746 27.740 0.115 0.000 1.770 2216 C HN 0.652 nan 8.230 nan 0.000 0.466 2217 D N 0.513 120.975 120.400 0.103 0.000 2.349 2217 D HA 0.363 5.004 4.640 0.001 0.000 0.215 2217 D C 0.847 177.043 176.300 -0.174 0.000 1.016 2217 D CA 1.529 55.586 54.000 0.095 0.000 0.870 2217 D CB 0.738 41.588 40.800 0.083 0.000 0.917 2217 D HN 1.092 nan 8.370 nan 0.000 0.524 2218 G N -0.542 108.080 108.800 -0.297 0.000 2.368 2218 G HA2 0.382 4.343 3.960 0.001 0.000 0.293 2218 G HA3 0.382 4.343 3.960 0.001 0.000 0.293 2218 G C -1.818 172.893 174.900 -0.315 0.000 1.467 2218 G CA -0.559 44.044 45.100 -0.828 0.000 0.804 2218 G HN -0.049 nan 8.290 nan 0.000 0.535 2219 V N 0.203 119.933 119.914 -0.307 0.000 2.823 2219 V HA 0.754 4.875 4.120 0.001 0.000 0.312 2219 V C -1.289 174.816 176.094 0.018 0.000 1.072 2219 V CA -0.715 61.606 62.300 0.034 0.000 0.937 2219 V CB 1.961 33.907 31.823 0.206 0.000 1.013 2219 V HN 0.820 nan 8.190 nan 0.000 0.430 2220 F N 5.327 125.208 119.950 -0.116 0.000 2.449 2220 F HA 0.805 5.333 4.527 0.001 0.000 0.342 2220 F C -0.497 175.232 175.800 -0.118 0.000 1.127 2220 F CA -0.783 57.134 58.000 -0.138 0.000 0.975 2220 F CB 1.425 40.333 39.000 -0.154 0.000 1.146 2220 F HN 0.377 nan 8.300 nan 0.000 0.444 2221 M N 5.903 125.400 119.600 -0.171 0.000 2.213 2221 M HA 0.304 4.785 4.480 0.001 0.000 0.286 2221 M C -1.064 175.078 176.300 -0.263 0.000 1.008 2221 M CA -0.513 54.724 55.300 -0.107 0.000 0.937 2221 M CB 2.434 34.999 32.600 -0.058 0.000 1.600 2221 M HN 0.515 nan 8.290 nan 0.000 0.450 2222 E N 1.527 121.618 120.200 -0.181 0.000 2.283 2222 E HA 0.429 4.780 4.350 0.001 0.000 0.278 2222 E C -0.470 176.061 176.600 -0.115 0.000 1.027 2222 E CA -0.226 56.059 56.400 -0.191 0.000 0.843 2222 E CB 1.934 31.571 29.700 -0.106 0.000 1.062 2222 E HN 0.457 nan 8.360 nan 0.000 0.401 2223 T N 2.014 116.505 114.554 -0.107 0.000 2.909 2223 T HA 0.241 4.592 4.350 0.001 0.000 0.299 2223 T C -1.664 173.044 174.700 0.014 0.000 1.073 2223 T CA -0.637 61.437 62.100 -0.044 0.000 0.999 2223 T CB 1.166 69.997 68.868 -0.063 0.000 1.098 2223 T HN 0.442 nan 8.240 nan 0.000 0.477 2224 H N 3.486 122.524 119.070 -0.054 0.000 2.894 2224 H HA 0.369 4.926 4.556 0.001 0.000 0.367 2224 H C -2.428 172.884 175.328 -0.027 0.000 1.144 2224 H CA -1.774 54.254 56.048 -0.034 0.000 1.180 2224 H CB 2.769 32.511 29.762 -0.033 0.000 1.758 2224 H HN 0.327 nan 8.280 nan 0.000 0.541 2225 P HA -0.081 nan 4.420 nan 0.000 0.216 2225 P C -0.650 176.750 177.300 0.168 0.000 1.150 2225 P CA 1.439 64.578 63.100 0.065 0.000 0.837 2225 P CB 0.424 32.111 31.700 -0.023 0.000 0.786 2226 E N -2.494 117.938 120.200 0.387 0.000 3.117 2226 E HA 0.145 4.496 4.350 0.001 0.000 0.262 2226 E C -2.237 174.336 176.600 -0.044 0.000 1.202 2226 E CA -1.538 54.950 56.400 0.147 0.000 0.853 2226 E CB 1.016 30.775 29.700 0.098 0.000 1.426 2226 E HN 0.060 nan 8.360 nan 0.000 0.387 2227 P HA -0.321 nan 4.420 nan 0.000 0.218 2227 P C 1.147 178.311 177.300 -0.226 0.000 1.152 2227 P CA 1.620 64.596 63.100 -0.206 0.000 0.857 2227 P CB 0.174 31.830 31.700 -0.074 0.000 0.787 2228 E N 0.303 120.424 120.200 -0.132 0.000 2.130 2228 E HA -0.228 4.123 4.350 0.001 0.000 0.196 2228 E C 1.418 177.943 176.600 -0.125 0.000 0.998 2228 E CA 1.269 57.609 56.400 -0.099 0.000 0.806 2228 E CB -0.798 28.868 29.700 -0.057 0.000 0.738 2228 E HN 0.329 nan 8.360 nan 0.000 0.459 2229 K N 0.671 120.970 120.400 -0.169 0.000 2.393 2229 K HA 0.263 4.584 4.320 0.001 0.000 0.193 2229 K C 0.564 177.013 176.600 -0.252 0.000 1.026 2229 K CA 0.188 56.383 56.287 -0.153 0.000 1.064 2229 K CB 0.504 32.962 32.500 -0.070 0.000 0.833 2229 K HN 0.117 nan 8.250 nan 0.000 0.521 2230 A N 1.326 123.868 122.820 -0.463 0.000 2.561 2230 A HA -0.016 4.304 4.320 0.001 0.000 0.234 2230 A C 0.895 178.351 177.584 -0.212 0.000 1.055 2230 A CA 0.204 51.960 52.037 -0.468 0.000 0.756 2230 A CB 0.037 18.757 19.000 -0.467 0.000 0.986 2230 A HN 0.303 nan 8.150 nan 0.000 0.505 2231 L N 1.325 122.433 121.223 -0.192 0.000 2.591 2231 L HA 0.167 4.508 4.340 0.001 0.000 0.228 2231 L C 0.932 177.793 176.870 -0.015 0.000 1.133 2231 L CA 0.601 55.323 54.840 -0.196 0.000 0.880 2231 L CB -0.318 41.372 42.059 -0.615 0.000 1.033 2231 L HN 0.685 nan 8.230 nan 0.000 0.450 2232 S N -1.109 114.595 115.700 0.007 0.000 2.552 2232 S HA 0.246 4.716 4.470 0.001 0.000 0.272 2232 S C -1.008 173.612 174.600 0.033 0.000 1.150 2232 S CA -0.742 57.505 58.200 0.079 0.000 0.849 2232 S CB 1.197 64.502 63.200 0.175 0.000 1.113 2232 S HN 0.308 nan 8.310 nan 0.000 0.458 2233 D N 1.350 121.776 120.400 0.043 0.000 2.713 2233 D HA -0.191 4.450 4.640 0.001 0.000 0.231 2233 D C 1.108 177.389 176.300 -0.032 0.000 1.173 2233 D CA 1.097 55.105 54.000 0.013 0.000 0.628 2233 D CB -0.988 39.820 40.800 0.014 0.000 1.033 2233 D HN 0.699 nan 8.370 nan 0.000 0.419 2234 A N -0.649 122.144 122.820 -0.044 0.000 2.019 2234 A HA -0.148 4.173 4.320 0.001 0.000 0.219 2234 A C 2.296 179.846 177.584 -0.057 0.000 1.164 2234 A CA 1.613 53.602 52.037 -0.081 0.000 0.644 2234 A CB -0.068 18.878 19.000 -0.089 0.000 0.805 2234 A HN 0.328 nan 8.150 nan 0.000 0.449 2235 S N -0.746 114.935 115.700 -0.031 0.000 2.453 2235 S HA -0.078 4.393 4.470 0.001 0.000 0.231 2235 S C 1.899 176.487 174.600 -0.020 0.000 1.005 2235 S CA 1.654 59.844 58.200 -0.017 0.000 0.949 2235 S CB -0.210 62.993 63.200 0.005 0.000 0.774 2235 S HN 0.916 nan 8.310 nan 0.000 0.510 2236 T N -1.489 113.041 114.554 -0.040 0.000 2.969 2236 T HA 0.224 4.575 4.350 0.001 0.000 0.250 2236 T C 0.469 175.128 174.700 -0.069 0.000 1.021 2236 T CA -0.285 61.782 62.100 -0.056 0.000 1.003 2236 T CB -0.093 68.712 68.868 -0.105 0.000 1.040 2236 T HN 0.142 nan 8.240 nan 0.000 0.492 2237 Q N 1.176 120.935 119.800 -0.068 0.000 2.330 2237 Q HA 0.353 4.693 4.340 0.001 0.000 0.279 2237 Q C -0.878 175.104 176.000 -0.029 0.000 1.024 2237 Q CA -0.310 55.463 55.803 -0.050 0.000 0.900 2237 Q CB 0.972 29.696 28.738 -0.023 0.000 1.221 2237 Q HN 0.347 nan 8.270 nan 0.000 0.396 2238 L N 5.559 126.765 121.223 -0.027 0.000 2.326 2238 L HA 0.305 4.646 4.340 0.001 0.000 0.278 2238 L C -2.336 174.528 176.870 -0.009 0.000 1.092 2238 L CA -1.700 53.125 54.840 -0.025 0.000 0.810 2238 L CB 0.914 42.949 42.059 -0.040 0.000 1.153 2238 L HN 0.394 nan 8.230 nan 0.000 0.439 2239 P HA -0.023 nan 4.420 nan 0.000 0.264 2239 P C 0.878 178.173 177.300 -0.008 0.000 1.193 2239 P CA 0.172 63.275 63.100 0.005 0.000 0.763 2239 P CB 0.561 32.257 31.700 -0.006 0.000 0.810 2240 L N 2.971 124.194 121.223 0.000 0.000 2.081 2240 L HA -0.253 4.087 4.340 0.001 0.000 0.212 2240 L C 2.096 178.954 176.870 -0.020 0.000 1.080 2240 L CA 2.361 57.190 54.840 -0.018 0.000 0.754 2240 L CB -0.539 41.505 42.059 -0.026 0.000 0.893 2240 L HN 0.456 nan 8.230 nan 0.000 0.433 2241 S N -1.377 114.314 115.700 -0.016 0.000 2.419 2241 S HA -0.242 4.229 4.470 0.001 0.000 0.233 2241 S C 1.640 176.227 174.600 -0.022 0.000 1.016 2241 S CA 0.910 59.100 58.200 -0.016 0.000 0.974 2241 S CB -0.265 62.929 63.200 -0.011 0.000 0.786 2241 S HN 0.575 nan 8.310 nan 0.000 0.492 2242 Q N -0.069 119.709 119.800 -0.036 0.000 2.425 2242 Q HA 0.270 4.611 4.340 0.001 0.000 0.204 2242 Q C 1.782 177.729 176.000 -0.087 0.000 0.933 2242 Q CA 0.073 55.836 55.803 -0.067 0.000 0.939 2242 Q CB -0.165 28.521 28.738 -0.087 0.000 1.044 2242 Q HN 0.447 nan 8.270 nan 0.000 0.513 2243 L N 1.559 122.752 121.223 -0.050 0.000 2.012 2243 L HA -0.223 4.117 4.340 0.001 0.000 0.210 2243 L C 2.194 179.062 176.870 -0.002 0.000 1.073 2243 L CA 1.987 56.806 54.840 -0.034 0.000 0.748 2243 L CB -0.483 41.575 42.059 -0.002 0.000 0.891 2243 L HN 0.215 nan 8.230 nan 0.000 0.431 2244 E N -0.909 119.319 120.200 0.047 0.000 2.049 2244 E HA -0.233 4.118 4.350 0.001 0.000 0.198 2244 E C 2.069 178.721 176.600 0.088 0.000 1.007 2244 E CA 1.350 57.834 56.400 0.141 0.000 0.809 2244 E CB -0.552 29.239 29.700 0.151 0.000 0.749 2244 E HN 0.624 nan 8.360 nan 0.000 0.450 2245 G N 1.357 110.168 108.800 0.017 0.000 2.476 2245 G HA2 -0.268 3.693 3.960 0.001 0.000 0.218 2245 G HA3 -0.268 3.693 3.960 0.001 0.000 0.218 2245 G C 1.634 176.477 174.900 -0.095 0.000 1.164 2245 G CA 1.086 46.178 45.100 -0.014 0.000 0.768 2245 G HN 0.283 nan 8.290 nan 0.000 0.560 2246 I N 0.454 120.875 120.570 -0.248 0.000 2.226 2246 I HA -0.133 4.038 4.170 0.001 0.000 0.245 2246 I C 2.682 178.727 176.117 -0.120 0.000 1.100 2246 I CA 0.778 61.848 61.300 -0.382 0.000 1.374 2246 I CB -0.187 37.521 38.000 -0.487 0.000 1.057 2246 I HN 0.174 nan 8.210 nan 0.000 0.413 2247 I N 0.508 121.009 120.570 -0.115 0.000 2.179 2247 I HA -0.283 3.887 4.170 0.001 0.000 0.242 2247 I C 2.625 178.574 176.117 -0.280 0.000 1.088 2247 I CA 1.328 62.515 61.300 -0.187 0.000 1.357 2247 I CB -0.361 37.478 38.000 -0.269 0.000 1.051 2247 I HN 0.218 nan 8.210 nan 0.000 0.409 2248 E N 1.665 121.733 120.200 -0.220 0.000 2.085 2248 E HA -0.221 4.130 4.350 0.001 0.000 0.194 2248 E C 2.065 178.658 176.600 -0.012 0.000 0.994 2248 E CA 1.828 58.176 56.400 -0.087 0.000 0.801 2248 E CB -0.207 29.581 29.700 0.147 0.000 0.743 2248 E HN 0.418 nan 8.360 nan 0.000 0.453 2249 A N 1.185 124.036 122.820 0.051 0.000 1.877 2249 A HA -0.130 4.191 4.320 0.001 0.000 0.216 2249 A C 2.388 180.021 177.584 0.083 0.000 1.186 2249 A CA 1.795 53.914 52.037 0.136 0.000 0.620 2249 A CB -1.005 18.221 19.000 0.377 0.000 0.822 2249 A HN 0.535 nan 8.150 nan 0.000 0.443 2250 I N -2.944 117.661 120.570 0.059 0.000 2.546 2250 I HA -0.086 4.085 4.170 0.001 0.000 0.255 2250 I C 2.032 178.060 176.117 -0.149 0.000 1.163 2250 I CA 0.985 62.281 61.300 -0.007 0.000 1.457 2250 I CB -0.405 37.619 38.000 0.040 0.000 1.092 2250 I HN 0.187 nan 8.210 nan 0.000 0.434 2251 L N 1.137 122.259 121.223 -0.170 0.000 2.056 2251 L HA -0.111 4.230 4.340 0.001 0.000 0.207 2251 L C 2.694 179.491 176.870 -0.122 0.000 1.078 2251 L CA 1.479 56.196 54.840 -0.205 0.000 0.749 2251 L CB -0.502 41.456 42.059 -0.168 0.000 0.901 2251 L HN 0.278 nan 8.230 nan 0.000 0.433 2252 E N 0.395 120.559 120.200 -0.060 0.000 2.051 2252 E HA -0.215 4.135 4.350 0.001 0.000 0.192 2252 E C 2.260 178.833 176.600 -0.046 0.000 0.991 2252 E CA 1.275 57.656 56.400 -0.032 0.000 0.799 2252 E CB -0.097 29.605 29.700 0.003 0.000 0.748 2252 E HN 0.446 nan 8.360 nan 0.000 0.449 2253 I N 0.866 121.411 120.570 -0.043 0.000 2.226 2253 I HA -0.288 3.883 4.170 0.001 0.000 0.245 2253 I C 2.773 178.858 176.117 -0.054 0.000 1.100 2253 I CA 1.116 62.391 61.300 -0.041 0.000 1.374 2253 I CB -0.296 37.684 38.000 -0.032 0.000 1.057 2253 I HN 0.052 nan 8.210 nan 0.000 0.413 2254 R N 1.054 121.499 120.500 -0.091 0.000 2.091 2254 R HA -0.233 4.108 4.340 0.001 0.000 0.238 2254 R C 2.369 178.581 176.300 -0.147 0.000 1.136 2254 R CA 1.681 57.720 56.100 -0.102 0.000 0.959 2254 R CB -0.278 29.867 30.300 -0.259 0.000 0.856 2254 R HN 0.271 nan 8.270 nan 0.000 0.437 2255 E N 0.310 120.431 120.200 -0.132 0.000 2.049 2255 E HA -0.171 4.179 4.350 0.001 0.000 0.198 2255 E C 1.902 178.420 176.600 -0.138 0.000 1.007 2255 E CA 1.905 58.231 56.400 -0.123 0.000 0.809 2255 E CB -0.075 29.578 29.700 -0.079 0.000 0.749 2255 E HN 0.285 nan 8.360 nan 0.000 0.450 2256 V N 1.119 120.975 119.914 -0.097 0.000 2.283 2256 V HA -0.192 3.929 4.120 0.001 0.000 0.243 2256 V C 2.589 178.639 176.094 -0.074 0.000 1.039 2256 V CA 1.833 64.092 62.300 -0.069 0.000 1.016 2256 V CB -0.933 30.880 31.823 -0.017 0.000 0.650 2256 V HN 0.352 nan 8.190 nan 0.000 0.449 2257 A N 0.859 123.640 122.820 -0.064 0.000 1.969 2257 A HA -0.171 4.149 4.320 0.001 0.000 0.218 2257 A C 2.490 179.827 177.584 -0.412 0.000 1.169 2257 A CA 1.862 53.887 52.037 -0.021 0.000 0.635 2257 A CB -0.743 18.304 19.000 0.078 0.000 0.810 2257 A HN 0.692 nan 8.150 nan 0.000 0.445 2258 S N 0.382 115.604 115.700 -0.797 0.000 2.440 2258 S HA -0.261 4.209 4.470 0.001 0.000 0.240 2258 S C 1.810 175.897 174.600 -0.855 0.000 1.014 2258 S CA 1.643 58.942 58.200 -1.502 0.000 0.980 2258 S CB -0.459 62.279 63.200 -0.771 0.000 0.775 2258 S HN 0.684 nan 8.310 nan 0.000 0.499 2259 K N 0.407 120.449 120.400 -0.597 0.000 2.280 2259 K HA -0.118 4.203 4.320 0.001 0.000 0.202 2259 K C 0.765 176.961 176.600 -0.674 0.000 1.047 2259 K CA 1.294 57.204 56.287 -0.628 0.000 0.942 2259 K CB -0.214 31.809 32.500 -0.795 0.000 0.739 2259 K HN 0.646 nan 8.250 nan 0.000 0.457 2260 Y N -0.851 119.339 120.300 -0.182 0.000 2.467 2260 Y HA 0.145 4.695 4.550 0.001 0.000 0.250 2260 Y C -0.314 175.637 175.900 0.084 0.000 1.155 2260 Y CA -1.026 57.047 58.100 -0.045 0.000 1.249 2260 Y CB 0.269 38.714 38.460 -0.024 0.000 1.146 2260 Y HN -0.138 nan 8.280 nan 0.000 0.524 2261 Y N 2.421 122.758 120.300 0.063 0.000 2.729 2261 Y HA 0.047 4.598 4.550 0.001 0.000 0.331 2261 Y C 0.686 176.603 175.900 0.028 0.000 1.208 2261 Y CA -0.934 57.191 58.100 0.040 0.000 1.521 2261 Y CB -0.318 38.152 38.460 0.017 0.000 1.233 2261 Y HN 0.147 nan 8.280 nan 0.000 0.539 2262 E N 0.971 121.280 120.200 0.181 0.000 2.398 2262 E HA 0.115 4.466 4.350 0.001 0.000 0.263 2262 E C 0.083 176.725 176.600 0.070 0.000 1.046 2262 E CA 0.063 56.522 56.400 0.097 0.000 0.908 2262 E CB 0.309 30.045 29.700 0.060 0.000 0.963 2262 E HN 0.447 nan 8.360 nan 0.000 0.431 2263 T N 3.084 117.666 114.554 0.048 0.000 2.913 2263 T HA 0.260 4.611 4.350 0.001 0.000 0.297 2263 T C 0.900 175.606 174.700 0.010 0.000 1.029 2263 T CA -0.399 61.719 62.100 0.031 0.000 1.104 2263 T CB 0.141 69.024 68.868 0.025 0.000 0.964 2263 T HN 0.593 nan 8.240 nan 0.000 0.532 2264 I N 0.000 120.569 120.570 -0.001 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.287 61.300 -0.021 0.000 1.566 2264 I CB 0.000 37.995 38.000 -0.009 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494