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 1yrz_1_B DATA FIRST_RESID 2004 DATA SEQUENCE RIQNPILPGF HPDPSIVRVG DDYYIATSTF EWFPGVRIHH SRDLKHWRFV DATA SEQUENCE SSPLTRTSQL DMKGNMNSGG IWAPCLSYHD GTFYLIYTDV KQWHGAFKDA DATA SEQUENCE HNYLVTAQNI EGPWSDPIYL NSSGFDPSLF HDDDGRKWLV NMIWDYRKGN DATA SEQUENCE HPFAGIILQE YSEAEQKLVG PVKNIYKGTD IQLTEGPHLY KKDGYYYLLV DATA SEQUENCE AEGGTEYEHA ATLARSQSID GPYETDPSYP LVTSTGQPEL ALQKAGHGSL DATA SEQUENCE VETQNGEWYL AHLCGRPLKG KYCTLGRETA IQKVNWTEDG WLRIEDGGNH DATA SEQUENCE PLREVTAPDL PEHPFEKEPE LDDFDAPQLH HQWNTLRIPA DPSWCSLEER DATA SEQUENCE PGHLRLRGME SLTSVHSQSL VARRQQSFHC EVETKLEYQP ESFQHMAGLV DATA SEQUENCE IYYDTEDHVY LHVTWHEEKG KCLQIIQTKG GNYDELLASP IPLAEEKAVY DATA SEQUENCE LKGRIHRETM HLYFKQEGEA EWQPVGPTID VTHMSDDSAK QVRFTGTFVG DATA SEQUENCE MATQDLSGTK KPADFDYFRY KE 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 2004 R HA 0.000 nan 4.340 nan 0.000 0.208 2004 R C 0.000 176.291 176.300 -0.014 0.000 0.893 2004 R CA 0.000 56.102 56.100 0.004 0.000 0.921 2004 R CB 0.000 30.309 30.300 0.015 0.000 0.687 2005 I N 4.075 124.642 120.570 -0.005 0.000 2.556 2005 I HA 0.042 4.212 4.170 -0.000 0.000 0.284 2005 I C 0.044 176.162 176.117 0.002 0.000 1.114 2005 I CA 0.671 61.961 61.300 -0.016 0.000 1.418 2005 I CB 0.546 38.554 38.000 0.014 0.000 1.394 2005 I HN 0.134 nan 8.210 nan 0.000 0.552 2006 Q N 5.813 125.605 119.800 -0.012 0.000 2.347 2006 Q HA 0.344 4.684 4.340 -0.000 0.000 0.262 2006 Q C -0.825 175.173 176.000 -0.004 0.000 0.980 2006 Q CA -0.770 55.035 55.803 0.002 0.000 0.867 2006 Q CB 1.557 30.296 28.738 0.002 0.000 1.242 2006 Q HN 0.515 nan 8.270 nan 0.000 0.453 2007 N N 3.354 122.058 118.700 0.006 0.000 2.515 2007 N HA 0.373 5.113 4.740 -0.000 0.000 0.279 2007 N C -2.363 173.149 175.510 0.002 0.000 1.164 2007 N CA -1.382 51.658 53.050 -0.016 0.000 0.982 2007 N CB 0.851 39.336 38.487 -0.003 0.000 1.170 2007 N HN 0.362 nan 8.380 nan 0.000 0.474 2008 P HA 0.228 nan 4.420 nan 0.000 0.279 2008 P C 0.802 178.020 177.300 -0.138 0.000 1.239 2008 P CA -0.269 62.777 63.100 -0.091 0.000 0.789 2008 P CB 1.364 33.014 31.700 -0.082 0.000 0.933 2009 I N 1.309 121.744 120.570 -0.226 0.000 2.439 2009 I HA -0.063 4.107 4.170 -0.000 0.000 0.251 2009 I C 0.862 176.721 176.117 -0.430 0.000 1.139 2009 I CA 1.071 62.190 61.300 -0.301 0.000 1.438 2009 I CB 0.131 37.856 38.000 -0.459 0.000 1.085 2009 I HN 0.235 nan 8.210 nan 0.000 0.427 2010 L N 3.121 124.047 121.223 -0.496 0.000 2.445 2010 L HA 0.360 4.700 4.340 -0.000 0.000 0.252 2010 L C -2.399 174.249 176.870 -0.370 0.000 1.105 2010 L CA -1.769 52.671 54.840 -0.666 0.000 0.943 2010 L CB 0.649 42.117 42.059 -0.984 0.000 1.277 2010 L HN -0.141 nan 8.230 nan 0.000 0.465 2011 P HA 0.214 nan 4.420 nan 0.000 0.272 2011 P C 0.437 177.776 177.300 0.065 0.000 1.223 2011 P CA 0.706 63.764 63.100 -0.070 0.000 0.784 2011 P CB 1.426 33.079 31.700 -0.078 0.000 0.923 2012 G N 1.936 110.743 108.800 0.010 0.000 2.760 2012 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.246 2012 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.246 2012 G C -0.658 174.259 174.900 0.029 0.000 1.359 2012 G CA -0.515 44.575 45.100 -0.017 0.000 0.861 2012 G HN 0.540 nan 8.290 nan 0.000 0.541 2013 F N 2.425 122.184 119.950 -0.318 0.000 2.447 2013 F HA 0.407 4.934 4.527 -0.000 0.000 0.339 2013 F C 0.775 176.217 175.800 -0.598 0.000 1.196 2013 F CA 0.307 58.106 58.000 -0.334 0.000 0.969 2013 F CB -0.866 37.951 39.000 -0.304 0.000 1.106 2013 F HN 0.518 nan 8.300 nan 0.000 0.594 2014 H N 4.931 123.888 119.070 -0.188 0.000 2.643 2014 H HA 0.296 4.852 4.556 -0.000 0.000 0.229 2014 H C -2.639 172.599 175.328 -0.149 0.000 1.410 2014 H CA -1.392 54.491 56.048 -0.275 0.000 1.458 2014 H CB 0.499 30.116 29.762 -0.241 0.000 1.792 2014 H HN 0.316 nan 8.280 nan 0.000 0.563 2015 P HA 0.117 nan 4.420 nan 0.000 0.278 2015 P C -0.265 177.026 177.300 -0.014 0.000 1.266 2015 P CA -0.479 62.642 63.100 0.036 0.000 0.807 2015 P CB 0.739 32.523 31.700 0.140 0.000 1.094 2016 D N -1.723 118.645 120.400 -0.053 0.000 2.802 2016 D HA -0.126 4.513 4.640 -0.000 0.000 0.229 2016 D C -1.941 174.400 176.300 0.069 0.000 1.203 2016 D CA 0.426 54.358 54.000 -0.114 0.000 0.712 2016 D CB -1.472 39.130 40.800 -0.331 0.000 0.973 2016 D HN 0.351 nan 8.370 nan 0.000 0.407 2017 P HA 0.044 nan 4.420 nan 0.000 0.267 2017 P C -0.266 177.133 177.300 0.165 0.000 1.205 2017 P CA 0.062 63.213 63.100 0.085 0.000 0.765 2017 P CB 1.331 33.033 31.700 0.004 0.000 0.828 2018 S N 4.292 120.082 115.700 0.150 0.000 2.601 2018 S HA 0.444 4.914 4.470 -0.000 0.000 0.312 2018 S C -0.320 174.386 174.600 0.178 0.000 1.107 2018 S CA -0.853 57.447 58.200 0.166 0.000 1.129 2018 S CB -0.407 62.908 63.200 0.193 0.000 0.982 2018 S HN 0.431 nan 8.310 nan 0.000 0.469 2019 I N 5.351 126.033 120.570 0.187 0.000 2.498 2019 I HA 0.743 4.913 4.170 -0.000 0.000 0.301 2019 I C -1.149 175.144 176.117 0.293 0.000 0.984 2019 I CA -0.464 60.984 61.300 0.247 0.000 1.204 2019 I CB 1.438 39.576 38.000 0.230 0.000 1.362 2019 I HN 0.409 nan 8.210 nan 0.000 0.471 2020 V N 6.576 126.696 119.914 0.345 0.000 3.048 2020 V HA 0.437 4.557 4.120 -0.000 0.000 0.303 2020 V C -0.772 175.472 176.094 0.250 0.000 1.214 2020 V CA -0.803 61.689 62.300 0.320 0.000 0.984 2020 V CB 2.244 34.292 31.823 0.375 0.000 1.054 2020 V HN 0.744 nan 8.190 nan 0.000 0.430 2021 R N 2.303 122.856 120.500 0.087 0.000 2.387 2021 R HA 0.803 5.143 4.340 -0.000 0.000 0.314 2021 R C -1.829 174.372 176.300 -0.166 0.000 0.958 2021 R CA -0.366 55.605 56.100 -0.215 0.000 0.846 2021 R CB 1.867 31.900 30.300 -0.445 0.000 1.147 2021 R HN 0.513 nan 8.270 nan 0.000 0.447 2022 V N 6.011 125.793 119.914 -0.221 0.000 2.305 2022 V HA 0.425 4.545 4.120 -0.000 0.000 0.275 2022 V C 0.968 176.897 176.094 -0.276 0.000 1.020 2022 V CA 0.333 62.446 62.300 -0.312 0.000 0.811 2022 V CB 0.459 32.030 31.823 -0.421 0.000 1.031 2022 V HN 1.177 nan 8.190 nan 0.000 0.439 2023 G N 4.664 113.319 108.800 -0.241 0.000 2.574 2023 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.301 2023 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.301 2023 G C 0.408 175.162 174.900 -0.243 0.000 1.166 2023 G CA 0.624 45.609 45.100 -0.192 0.000 0.971 2023 G HN 0.568 nan 8.290 nan 0.000 0.542 2024 D N 2.268 122.546 120.400 -0.204 0.000 2.363 2024 D HA 0.209 4.849 4.640 -0.000 0.000 0.214 2024 D C -0.092 176.058 176.300 -0.249 0.000 1.093 2024 D CA 0.309 54.187 54.000 -0.204 0.000 0.837 2024 D CB 0.259 40.990 40.800 -0.115 0.000 0.948 2024 D HN 0.407 nan 8.370 nan 0.000 0.507 2025 D N 0.338 120.558 120.400 -0.300 0.000 2.192 2025 D HA 0.227 4.867 4.640 -0.000 0.000 0.246 2025 D C -0.433 175.531 176.300 -0.561 0.000 1.042 2025 D CA -0.272 53.554 54.000 -0.290 0.000 0.847 2025 D CB 1.513 42.211 40.800 -0.169 0.000 1.186 2025 D HN -0.026 nan 8.370 nan 0.000 0.461 2026 Y N 0.891 120.906 120.300 -0.475 0.000 2.393 2026 Y HA 0.394 4.944 4.550 -0.000 0.000 0.341 2026 Y C -0.524 175.142 175.900 -0.390 0.000 0.988 2026 Y CA -0.780 57.129 58.100 -0.317 0.000 1.078 2026 Y CB 1.449 39.770 38.460 -0.231 0.000 1.203 2026 Y HN 0.248 nan 8.280 nan 0.000 0.453 2027 Y N 2.544 123.101 120.300 0.429 0.000 2.512 2027 Y HA 0.680 5.230 4.550 -0.000 0.000 0.348 2027 Y C -0.705 175.404 175.900 0.349 0.000 0.990 2027 Y CA -1.371 56.961 58.100 0.387 0.000 1.033 2027 Y CB 1.887 40.491 38.460 0.240 0.000 1.259 2027 Y HN 0.345 nan 8.280 nan 0.000 0.461 2028 I N 2.342 123.171 120.570 0.432 0.000 2.478 2028 I HA 0.660 4.830 4.170 -0.000 0.000 0.287 2028 I C -0.746 175.466 176.117 0.159 0.000 1.042 2028 I CA -0.934 60.492 61.300 0.209 0.000 1.067 2028 I CB 1.754 39.729 38.000 -0.042 0.000 1.233 2028 I HN 0.731 nan 8.210 nan 0.000 0.431 2029 A N 4.392 127.288 122.820 0.126 0.000 2.305 2029 A HA 0.866 5.186 4.320 -0.000 0.000 0.322 2029 A C -0.058 177.557 177.584 0.052 0.000 1.187 2029 A CA -0.385 51.690 52.037 0.063 0.000 0.825 2029 A CB 0.959 19.989 19.000 0.049 0.000 1.164 2029 A HN 0.703 nan 8.150 nan 0.000 0.498 2030 T N -0.645 113.921 114.554 0.020 0.000 2.916 2030 T HA 0.694 5.044 4.350 -0.000 0.000 0.292 2030 T C 0.134 174.780 174.700 -0.090 0.000 1.055 2030 T CA -0.189 61.901 62.100 -0.017 0.000 1.009 2030 T CB 1.156 70.025 68.868 0.003 0.000 1.118 2030 T HN 1.076 nan 8.240 nan 0.000 0.497 2031 S N 0.599 116.228 115.700 -0.119 0.000 2.585 2031 S HA 0.417 4.887 4.470 -0.000 0.000 0.273 2031 S C 1.047 175.546 174.600 -0.169 0.000 1.339 2031 S CA -0.057 58.029 58.200 -0.191 0.000 1.028 2031 S CB 0.637 63.662 63.200 -0.291 0.000 0.906 2031 S HN 1.114 nan 8.310 nan 0.000 0.528 2032 T N -2.132 112.373 114.554 -0.082 0.000 3.016 2032 T HA 0.328 4.678 4.350 -0.000 0.000 0.271 2032 T C 0.525 175.619 174.700 0.657 0.000 0.968 2032 T CA -0.258 62.004 62.100 0.270 0.000 0.891 2032 T CB -0.848 68.096 68.868 0.127 0.000 1.149 2032 T HN 0.540 nan 8.240 nan 0.000 0.524 2033 F N 2.778 122.944 119.950 0.359 0.000 3.078 2033 F HA -0.353 4.174 4.527 -0.000 0.000 0.250 2033 F C 1.896 177.828 175.800 0.219 0.000 1.463 2033 F CA 1.954 60.141 58.000 0.311 0.000 1.788 2033 F CB -1.068 38.114 39.000 0.304 0.000 0.886 2033 F HN 0.324 nan 8.300 nan 0.000 0.305 2034 E N 0.640 121.027 120.200 0.313 0.000 2.511 2034 E HA -0.065 4.285 4.350 -0.000 0.000 0.196 2034 E C -0.096 176.446 176.600 -0.096 0.000 1.066 2034 E CA 0.637 57.050 56.400 0.022 0.000 0.871 2034 E CB -0.427 29.177 29.700 -0.160 0.000 0.863 2034 E HN 0.500 nan 8.360 nan 0.000 0.520 2035 W N 1.049 122.435 121.300 0.145 0.000 2.287 2035 W HA 0.361 5.021 4.660 -0.000 0.000 0.313 2035 W C -0.187 176.429 176.519 0.161 0.000 1.267 2035 W CA -0.764 56.642 57.345 0.102 0.000 1.201 2035 W CB 0.380 29.903 29.460 0.104 0.000 1.196 2035 W HN -0.126 nan 8.180 nan 0.000 0.536 2036 F N 6.600 126.699 119.950 0.249 0.000 2.450 2036 F HA 0.496 5.023 4.527 -0.000 0.000 0.332 2036 F C -1.583 174.327 175.800 0.183 0.000 1.093 2036 F CA -2.842 55.252 58.000 0.157 0.000 1.003 2036 F CB 1.084 40.138 39.000 0.089 0.000 1.151 2036 F HN 0.096 nan 8.300 nan 0.000 0.474 2037 P HA 0.201 nan 4.420 nan 0.000 0.274 2037 P C -0.622 176.355 177.300 -0.538 0.000 1.246 2037 P CA -0.280 62.271 63.100 -0.915 0.000 0.795 2037 P CB 0.810 32.206 31.700 -0.507 0.000 1.006 2038 G N -0.114 108.286 108.800 -0.666 0.000 2.395 2038 G HA2 0.465 4.425 3.960 -0.000 0.000 0.283 2038 G HA3 0.465 4.425 3.960 -0.000 0.000 0.283 2038 G C -0.582 174.102 174.900 -0.359 0.000 1.178 2038 G CA -0.578 44.291 45.100 -0.385 0.000 0.837 2038 G HN 0.453 nan 8.290 nan 0.000 0.518 2039 V N 0.083 119.848 119.914 -0.248 0.000 3.493 2039 V HA -0.183 3.937 4.120 -0.000 0.000 0.498 2039 V C 0.307 176.284 176.094 -0.195 0.000 0.682 2039 V CA 0.511 62.672 62.300 -0.232 0.000 2.046 2039 V CB -0.723 30.904 31.823 -0.327 0.000 2.479 2039 V HN 1.167 nan 8.190 nan 0.000 0.507 2040 R N 4.709 125.142 120.500 -0.111 0.000 2.393 2040 R HA 0.809 5.149 4.340 -0.000 0.000 0.310 2040 R C -0.545 175.685 176.300 -0.117 0.000 0.968 2040 R CA -0.673 55.398 56.100 -0.048 0.000 0.867 2040 R CB 1.258 31.612 30.300 0.091 0.000 1.124 2040 R HN 0.698 nan 8.270 nan 0.000 0.450 2041 I N 4.076 124.448 120.570 -0.330 0.000 2.436 2041 I HA 0.338 4.508 4.170 -0.000 0.000 0.289 2041 I C -0.239 175.588 176.117 -0.484 0.000 1.010 2041 I CA -0.798 60.325 61.300 -0.294 0.000 1.098 2041 I CB 1.612 39.430 38.000 -0.303 0.000 1.266 2041 I HN 0.510 nan 8.210 nan 0.000 0.434 2042 H N 4.435 123.509 119.070 0.008 0.000 2.573 2042 H HA 0.458 5.014 4.556 -0.000 0.000 0.351 2042 H C -1.170 174.398 175.328 0.400 0.000 1.163 2042 H CA -0.509 55.611 56.048 0.121 0.000 1.205 2042 H CB 2.620 32.448 29.762 0.110 0.000 1.605 2042 H HN 0.588 nan 8.280 nan 0.000 0.525 2043 H N 0.502 119.764 119.070 0.319 0.000 2.690 2043 H HA 0.439 4.995 4.556 -0.000 0.000 0.368 2043 H C -1.269 174.012 175.328 -0.079 0.000 1.150 2043 H CA -0.375 55.745 56.048 0.120 0.000 1.174 2043 H CB 2.316 32.084 29.762 0.010 0.000 1.684 2043 H HN 0.571 nan 8.280 nan 0.000 0.538 2044 S N 2.636 117.706 115.700 -1.051 0.000 2.570 2044 S HA 0.314 4.784 4.470 -0.000 0.000 0.270 2044 S C -0.001 174.081 174.600 -0.864 0.000 1.149 2044 S CA -0.756 56.748 58.200 -1.160 0.000 0.837 2044 S CB 1.993 63.811 63.200 -2.304 0.000 1.124 2044 S HN 0.876 nan 8.310 nan 0.000 0.465 2045 R N 0.332 120.463 120.500 -0.615 0.000 2.469 2045 R HA 0.250 4.590 4.340 -0.000 0.000 0.250 2045 R C -0.173 175.954 176.300 -0.288 0.000 0.909 2045 R CA 0.854 56.731 56.100 -0.372 0.000 1.050 2045 R CB 0.158 30.125 30.300 -0.556 0.000 1.256 2045 R HN 0.718 nan 8.270 nan 0.000 0.550 2046 D N -1.097 119.050 120.400 -0.422 0.000 2.525 2046 D HA 0.068 4.708 4.640 -0.000 0.000 0.231 2046 D C 0.797 176.796 176.300 -0.502 0.000 1.216 2046 D CA -0.187 53.598 54.000 -0.358 0.000 0.813 2046 D CB 0.111 40.800 40.800 -0.186 0.000 1.108 2046 D HN 0.166 nan 8.370 nan 0.000 0.524 2047 L N -1.116 119.669 121.223 -0.730 0.000 5.081 2047 L HA -0.332 4.008 4.340 -0.000 0.000 0.423 2047 L C 1.552 178.296 176.870 -0.209 0.000 1.019 2047 L CA 1.500 56.002 54.840 -0.564 0.000 1.223 2047 L CB -1.147 40.532 42.059 -0.634 0.000 1.940 2047 L HN 0.231 nan 8.230 nan 0.000 0.675 2048 K N -0.270 119.929 120.400 -0.335 0.000 2.262 2048 K HA 0.100 4.420 4.320 -0.000 0.000 0.200 2048 K C 0.378 176.743 176.600 -0.391 0.000 1.058 2048 K CA 0.386 56.499 56.287 -0.290 0.000 0.974 2048 K CB 0.314 32.583 32.500 -0.385 0.000 0.910 2048 K HN 0.375 nan 8.250 nan 0.000 0.484 2049 H N -1.247 117.673 119.070 -0.250 0.000 2.457 2049 H HA 0.295 4.851 4.556 -0.000 0.000 0.335 2049 H C -1.467 173.739 175.328 -0.204 0.000 1.115 2049 H CA -0.528 55.461 56.048 -0.098 0.000 1.219 2049 H CB 0.834 30.501 29.762 -0.159 0.000 1.471 2049 H HN 0.072 nan 8.280 nan 0.000 0.491 2050 W N 1.998 123.483 121.300 0.309 0.000 2.950 2050 W HA 0.573 5.233 4.660 -0.000 0.000 0.340 2050 W C -0.456 176.134 176.519 0.118 0.000 1.139 2050 W CA -1.036 56.429 57.345 0.200 0.000 1.188 2050 W CB 1.562 31.019 29.460 -0.005 0.000 1.426 2050 W HN 0.603 nan 8.180 nan 0.000 0.531 2051 R N 1.091 121.661 120.500 0.116 0.000 2.740 2051 R HA 0.713 5.053 4.340 -0.000 0.000 0.273 2051 R C -1.507 174.866 176.300 0.121 0.000 0.998 2051 R CA -0.988 55.084 56.100 -0.046 0.000 0.900 2051 R CB 1.648 31.531 30.300 -0.695 0.000 1.223 2051 R HN 0.407 nan 8.270 nan 0.000 0.466 2052 F N 2.521 122.426 119.950 -0.075 0.000 2.443 2052 F HA 0.257 4.783 4.527 -0.000 0.000 0.353 2052 F C 0.685 176.260 175.800 -0.374 0.000 1.101 2052 F CA 0.128 57.904 58.000 -0.373 0.000 1.226 2052 F CB 1.455 40.155 39.000 -0.501 0.000 1.140 2052 F HN 0.439 nan 8.300 nan 0.000 0.557 2053 V N 0.644 119.850 119.914 -1.179 0.000 3.371 2053 V HA 0.394 4.514 4.120 -0.000 0.000 0.246 2053 V C 0.080 175.571 176.094 -1.005 0.000 1.303 2053 V CA 0.648 62.474 62.300 -0.789 0.000 1.156 2053 V CB -0.413 31.190 31.823 -0.366 0.000 0.929 2053 V HN 0.953 nan 8.190 nan 0.000 0.459 2054 S N -0.939 113.839 115.700 -1.538 0.000 2.645 2054 S HA 0.598 5.068 4.470 -0.000 0.000 0.268 2054 S C -0.903 173.356 174.600 -0.568 0.000 1.110 2054 S CA 0.211 57.917 58.200 -0.824 0.000 0.823 2054 S CB 1.387 64.380 63.200 -0.346 0.000 1.091 2054 S HN 0.898 nan 8.310 nan 0.000 0.466 2055 S N 1.235 116.829 115.700 -0.177 0.000 2.746 2055 S HA 0.614 5.084 4.470 -0.000 0.000 0.273 2055 S C -2.297 172.097 174.600 -0.343 0.000 1.172 2055 S CA -1.387 56.697 58.200 -0.193 0.000 1.116 2055 S CB 1.039 64.235 63.200 -0.005 0.000 1.057 2055 S HN 0.500 nan 8.310 nan 0.000 0.483 2056 P HA -0.033 nan 4.420 nan 0.000 0.216 2056 P C -0.220 176.712 177.300 -0.612 0.000 1.153 2056 P CA 1.012 63.478 63.100 -1.056 0.000 0.858 2056 P CB 0.062 30.680 31.700 -1.804 0.000 0.789 2057 L N 0.126 121.007 121.223 -0.570 0.000 2.356 2057 L HA 0.211 4.551 4.340 -0.000 0.000 0.282 2057 L C 1.022 177.612 176.870 -0.466 0.000 1.132 2057 L CA 0.015 54.570 54.840 -0.475 0.000 0.923 2057 L CB -0.085 41.613 42.059 -0.602 0.000 1.278 2057 L HN 0.038 nan 8.230 nan 0.000 0.436 2058 T N -1.560 112.876 114.554 -0.197 0.000 3.003 2058 T HA 0.244 4.593 4.350 -0.000 0.000 0.261 2058 T C 0.792 175.673 174.700 0.302 0.000 1.003 2058 T CA -0.336 61.753 62.100 -0.018 0.000 0.917 2058 T CB 0.318 69.205 68.868 0.032 0.000 1.084 2058 T HN 0.382 nan 8.240 nan 0.000 0.522 2059 R N 1.315 121.950 120.500 0.225 0.000 2.711 2059 R HA 0.477 4.817 4.340 -0.000 0.000 0.284 2059 R C 1.394 177.821 176.300 0.211 0.000 0.968 2059 R CA -0.056 56.168 56.100 0.207 0.000 0.924 2059 R CB 1.273 31.640 30.300 0.111 0.000 1.162 2059 R HN 0.246 nan 8.270 nan 0.000 0.465 2060 T N -2.393 112.238 114.554 0.128 0.000 2.929 2060 T HA -0.176 4.174 4.350 -0.000 0.000 0.271 2060 T C 1.775 176.508 174.700 0.056 0.000 1.085 2060 T CA 1.565 63.709 62.100 0.074 0.000 1.125 2060 T CB -0.173 68.694 68.868 -0.001 0.000 0.874 2060 T HN 0.601 nan 8.240 nan 0.000 0.494 2061 S N 1.202 116.934 115.700 0.053 0.000 2.447 2061 S HA -0.096 4.373 4.470 -0.000 0.000 0.233 2061 S C 2.060 176.675 174.600 0.026 0.000 1.006 2061 S CA 0.603 58.824 58.200 0.035 0.000 0.957 2061 S CB -0.424 62.801 63.200 0.042 0.000 0.773 2061 S HN 0.694 nan 8.310 nan 0.000 0.507 2062 Q N -0.407 119.420 119.800 0.045 0.000 2.324 2062 Q HA 0.432 4.772 4.340 -0.000 0.000 0.207 2062 Q C -0.464 175.542 176.000 0.010 0.000 0.928 2062 Q CA 0.310 56.132 55.803 0.032 0.000 0.890 2062 Q CB 0.295 29.037 28.738 0.007 0.000 1.001 2062 Q HN 0.452 nan 8.270 nan 0.000 0.517 2063 L N 1.179 122.439 121.223 0.062 0.000 2.541 2063 L HA 0.361 4.701 4.340 -0.000 0.000 0.266 2063 L C -2.130 174.839 176.870 0.164 0.000 0.966 2063 L CA -0.459 54.446 54.840 0.108 0.000 0.871 2063 L CB 2.105 44.215 42.059 0.085 0.000 1.232 2063 L HN -0.149 nan 8.230 nan 0.000 0.408 2064 D N 4.973 125.428 120.400 0.092 0.000 2.464 2064 D HA 0.383 5.022 4.640 -0.000 0.000 0.243 2064 D C 0.159 176.490 176.300 0.052 0.000 1.104 2064 D CA -0.087 53.945 54.000 0.052 0.000 0.883 2064 D CB 0.848 41.663 40.800 0.024 0.000 1.050 2064 D HN 0.612 nan 8.370 nan 0.000 0.524 2065 M N 1.741 121.367 119.600 0.043 0.000 2.356 2065 M HA 0.128 4.608 4.480 -0.000 0.000 0.262 2065 M C 0.743 177.005 176.300 -0.063 0.000 1.097 2065 M CA -0.374 54.940 55.300 0.023 0.000 0.991 2065 M CB 0.281 32.924 32.600 0.073 0.000 1.450 2065 M HN 0.138 nan 8.290 nan 0.000 0.495 2066 K N 1.399 121.744 120.400 -0.091 0.000 2.472 2066 K HA 0.108 4.428 4.320 -0.000 0.000 0.280 2066 K C 1.044 177.495 176.600 -0.249 0.000 1.028 2066 K CA 1.228 57.418 56.287 -0.161 0.000 1.045 2066 K CB 0.175 32.619 32.500 -0.093 0.000 0.902 2066 K HN 0.469 nan 8.250 nan 0.000 0.478 2067 G N 2.726 111.225 108.800 -0.502 0.000 2.195 2067 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.246 2067 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.246 2067 G C -0.221 174.522 174.900 -0.262 0.000 0.984 2067 G CA -0.040 44.689 45.100 -0.618 0.000 0.633 2067 G HN 0.674 nan 8.290 nan 0.000 0.525 2068 N N 1.630 120.235 118.700 -0.157 0.000 2.483 2068 N HA 0.493 5.233 4.740 -0.000 0.000 0.264 2068 N C 1.285 176.776 175.510 -0.033 0.000 1.197 2068 N CA 0.421 53.443 53.050 -0.046 0.000 0.927 2068 N CB 0.371 38.864 38.487 0.009 0.000 1.065 2068 N HN 0.711 nan 8.380 nan 0.000 0.461 2069 M N 0.368 119.980 119.600 0.020 0.000 2.207 2069 M HA 0.250 4.730 4.480 -0.000 0.000 0.311 2069 M C 0.011 176.377 176.300 0.110 0.000 1.127 2069 M CA -0.213 55.104 55.300 0.028 0.000 1.181 2069 M CB 0.375 32.963 32.600 -0.019 0.000 1.409 2069 M HN 0.192 nan 8.290 nan 0.000 0.461 2070 N N 0.985 119.739 118.700 0.091 0.000 2.407 2070 N HA -0.018 4.722 4.740 -0.000 0.000 0.250 2070 N C 0.191 175.888 175.510 0.311 0.000 1.236 2070 N CA 0.511 53.637 53.050 0.127 0.000 0.879 2070 N CB 0.772 39.318 38.487 0.098 0.000 1.088 2070 N HN 0.886 nan 8.380 nan 0.000 0.450 2071 S N -1.592 114.257 115.700 0.249 0.000 3.380 2071 S HA -0.147 4.323 4.470 -0.000 0.000 0.300 2071 S C 0.830 175.749 174.600 0.532 0.000 1.255 2071 S CA 1.074 59.437 58.200 0.271 0.000 0.963 2071 S CB -1.292 61.936 63.200 0.046 0.000 1.106 2071 S HN 0.915 nan 8.310 nan 0.000 0.629 2072 G N -0.190 108.936 108.800 0.543 0.000 2.695 2072 G HA2 0.727 4.687 3.960 -0.000 0.000 0.213 2072 G HA3 0.727 4.687 3.960 -0.000 0.000 0.213 2072 G C 0.818 175.988 174.900 0.449 0.000 1.406 2072 G CA 0.318 45.719 45.100 0.503 0.000 1.049 2072 G HN 1.511 nan 8.290 nan 0.000 0.573 2073 G N -0.854 108.081 108.800 0.225 0.000 2.528 2073 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.262 2073 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.262 2073 G C 0.116 175.097 174.900 0.134 0.000 1.200 2073 G CA -0.016 45.189 45.100 0.174 0.000 0.951 2073 G HN 0.880 nan 8.290 nan 0.000 0.566 2074 I N 1.298 121.905 120.570 0.061 0.000 2.574 2074 I HA 0.202 4.372 4.170 -0.000 0.000 0.291 2074 I C 0.610 176.498 176.117 -0.383 0.000 1.131 2074 I CA -0.127 61.137 61.300 -0.060 0.000 1.352 2074 I CB -0.930 37.018 38.000 -0.088 0.000 1.431 2074 I HN 0.401 nan 8.210 nan 0.000 0.543 2075 W N 4.492 125.467 121.300 -0.542 0.000 1.940 2075 W HA 0.521 5.181 4.660 -0.000 0.000 0.516 2075 W C 0.652 176.937 176.519 -0.390 0.000 2.058 2075 W CA -0.793 56.143 57.345 -0.681 0.000 2.332 2075 W CB -0.169 29.061 29.460 -0.383 0.000 1.870 2075 W HN 0.488 nan 8.180 nan 0.000 0.766 2076 A N 4.008 126.828 122.820 0.000 0.000 2.580 2076 A HA 0.216 4.536 4.320 -0.000 0.000 0.244 2076 A C -2.024 175.649 177.584 0.149 0.000 1.045 2076 A CA -0.246 51.812 52.037 0.035 0.000 0.761 2076 A CB -1.227 17.839 19.000 0.110 0.000 0.962 2076 A HN 0.212 nan 8.150 nan 0.000 0.512 2077 P HA 0.553 nan 4.420 nan 0.000 0.290 2077 P C -1.214 176.228 177.300 0.237 0.000 1.302 2077 P CA -0.803 62.401 63.100 0.173 0.000 0.893 2077 P CB 1.786 33.542 31.700 0.092 0.000 1.272 2078 C N 2.061 121.505 119.300 0.241 0.000 2.432 2078 C HA 0.644 5.104 4.460 -0.000 0.000 0.334 2078 C C -1.027 174.121 174.990 0.262 0.000 1.155 2078 C CA -0.520 58.664 59.018 0.277 0.000 1.335 2078 C CB -0.603 27.319 27.740 0.304 0.000 1.964 2078 C HN 0.531 nan 8.230 nan 0.000 0.444 2079 L N 6.836 128.219 121.223 0.266 0.000 2.305 2079 L HA 0.831 5.171 4.340 -0.000 0.000 0.284 2079 L C 0.123 177.227 176.870 0.390 0.000 1.013 2079 L CA 0.720 55.754 54.840 0.324 0.000 0.819 2079 L CB 1.598 43.823 42.059 0.277 0.000 1.227 2079 L HN 0.895 nan 8.230 nan 0.000 0.417 2080 S N 3.729 119.717 115.700 0.480 0.000 2.704 2080 S HA 0.746 5.216 4.470 -0.000 0.000 0.296 2080 S C -1.233 173.690 174.600 0.537 0.000 1.138 2080 S CA -0.678 57.811 58.200 0.481 0.000 0.875 2080 S CB 1.634 65.130 63.200 0.494 0.000 1.151 2080 S HN 0.602 nan 8.310 nan 0.000 0.500 2081 Y N 0.032 120.444 120.300 0.186 0.000 2.470 2081 Y HA 0.664 5.214 4.550 -0.000 0.000 0.341 2081 Y C -1.380 174.461 175.900 -0.098 0.000 1.021 2081 Y CA -0.384 57.697 58.100 -0.031 0.000 1.025 2081 Y CB 1.901 40.213 38.460 -0.246 0.000 1.266 2081 Y HN 1.134 nan 8.280 nan 0.000 0.448 2082 H N 4.297 122.870 119.070 -0.827 0.000 3.137 2082 H HA 0.282 4.838 4.556 -0.000 0.000 0.336 2082 H C -1.276 173.689 175.328 -0.603 0.000 1.055 2082 H CA -0.706 54.941 56.048 -0.669 0.000 1.349 2082 H CB 0.993 30.249 29.762 -0.844 0.000 1.939 2082 H HN 0.740 nan 8.280 nan 0.000 0.487 2083 D N 4.268 124.182 120.400 -0.810 0.000 2.740 2083 D HA -0.174 4.466 4.640 -0.000 0.000 0.231 2083 D C 1.168 177.203 176.300 -0.440 0.000 1.194 2083 D CA 1.990 55.683 54.000 -0.512 0.000 0.673 2083 D CB -1.128 39.455 40.800 -0.362 0.000 0.995 2083 D HN 1.157 nan 8.370 nan 0.000 0.411 2084 G N -0.470 107.989 108.800 -0.569 0.000 2.168 2084 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.263 2084 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.263 2084 G C 0.415 175.055 174.900 -0.434 0.000 0.977 2084 G CA 0.980 45.876 45.100 -0.339 0.000 0.659 2084 G HN 0.939 nan 8.290 nan 0.000 0.533 2085 T N -0.579 113.535 114.554 -0.733 0.000 2.881 2085 T HA 0.655 5.005 4.350 -0.000 0.000 0.290 2085 T C -0.543 173.816 174.700 -0.569 0.000 1.000 2085 T CA -0.727 61.056 62.100 -0.527 0.000 0.978 2085 T CB 0.747 69.344 68.868 -0.452 0.000 0.997 2085 T HN 0.290 nan 8.240 nan 0.000 0.443 2086 F N 3.982 123.805 119.950 -0.212 0.000 2.396 2086 F HA 0.518 5.045 4.527 -0.000 0.000 0.343 2086 F C -0.304 175.476 175.800 -0.032 0.000 1.104 2086 F CA -0.313 57.721 58.000 0.057 0.000 1.161 2086 F CB 0.788 39.819 39.000 0.052 0.000 1.146 2086 F HN 0.518 nan 8.300 nan 0.000 0.522 2087 Y N 3.886 124.440 120.300 0.424 0.000 2.328 2087 Y HA 0.531 5.081 4.550 -0.000 0.000 0.336 2087 Y C -0.690 175.453 175.900 0.405 0.000 0.960 2087 Y CA -1.056 57.271 58.100 0.377 0.000 1.134 2087 Y CB 1.646 40.293 38.460 0.313 0.000 1.166 2087 Y HN 0.370 nan 8.280 nan 0.000 0.464 2088 L N 5.570 127.099 121.223 0.509 0.000 2.319 2088 L HA 0.617 4.957 4.340 -0.000 0.000 0.281 2088 L C -1.521 175.550 176.870 0.334 0.000 1.005 2088 L CA -0.585 54.464 54.840 0.348 0.000 0.828 2088 L CB 0.515 42.649 42.059 0.125 0.000 1.227 2088 L HN 0.411 nan 8.230 nan 0.000 0.415 2089 I N 6.364 127.098 120.570 0.275 0.000 2.359 2089 I HA 0.413 4.583 4.170 -0.000 0.000 0.294 2089 I C -0.330 175.948 176.117 0.267 0.000 0.987 2089 I CA -0.446 60.970 61.300 0.193 0.000 1.225 2089 I CB 0.841 38.909 38.000 0.114 0.000 1.366 2089 I HN 0.723 nan 8.210 nan 0.000 0.466 2090 Y N 2.439 122.804 120.300 0.109 0.000 2.644 2090 Y HA 0.806 5.355 4.550 -0.000 0.000 0.338 2090 Y C -0.804 175.183 175.900 0.145 0.000 1.119 2090 Y CA -1.049 57.113 58.100 0.103 0.000 1.060 2090 Y CB 1.466 39.962 38.460 0.060 0.000 1.294 2090 Y HN 0.388 nan 8.280 nan 0.000 0.472 2091 T N 1.614 116.336 114.554 0.280 0.000 2.881 2091 T HA 0.269 4.619 4.350 -0.000 0.000 0.290 2091 T C -1.905 172.918 174.700 0.206 0.000 1.000 2091 T CA -0.581 61.611 62.100 0.153 0.000 0.978 2091 T CB 1.389 70.293 68.868 0.059 0.000 0.997 2091 T HN 0.668 nan 8.240 nan 0.000 0.443 2092 D N 2.833 123.373 120.400 0.235 0.000 2.427 2092 D HA 0.342 4.982 4.640 -0.000 0.000 0.226 2092 D C -0.511 175.782 176.300 -0.013 0.000 1.076 2092 D CA -0.491 53.632 54.000 0.204 0.000 0.849 2092 D CB 0.816 41.845 40.800 0.382 0.000 1.052 2092 D HN 0.180 nan 8.370 nan 0.000 0.515 2093 V N 6.050 125.862 119.914 -0.170 0.000 2.408 2093 V HA 0.155 4.275 4.120 -0.000 0.000 0.267 2093 V C 1.364 177.393 176.094 -0.108 0.000 1.047 2093 V CA -0.306 61.788 62.300 -0.343 0.000 0.937 2093 V CB 1.327 32.657 31.823 -0.822 0.000 0.999 2093 V HN 0.431 nan 8.190 nan 0.000 0.472 2094 K N 2.731 123.062 120.400 -0.115 0.000 2.284 2094 K HA 0.166 4.486 4.320 -0.000 0.000 0.198 2094 K C 0.554 177.155 176.600 0.001 0.000 1.048 2094 K CA 0.406 56.679 56.287 -0.022 0.000 0.987 2094 K CB 0.298 32.791 32.500 -0.011 0.000 0.800 2094 K HN 0.676 nan 8.250 nan 0.000 0.486 2095 Q N -0.324 119.465 119.800 -0.018 0.000 2.281 2095 Q HA 0.163 4.503 4.340 -0.000 0.000 0.263 2095 Q C -0.955 175.088 176.000 0.072 0.000 0.989 2095 Q CA -0.462 55.347 55.803 0.010 0.000 0.852 2095 Q CB 0.978 29.697 28.738 -0.031 0.000 1.337 2095 Q HN 0.198 nan 8.270 nan 0.000 0.418 2096 W N 3.166 124.418 121.300 -0.080 0.000 2.199 2096 W HA 0.351 5.011 4.660 -0.000 0.000 0.264 2096 W C -0.845 175.770 176.519 0.160 0.000 0.923 2096 W CA -0.137 57.192 57.345 -0.027 0.000 1.221 2096 W CB 0.182 29.712 29.460 0.117 0.000 0.974 2096 W HN 0.610 nan 8.180 nan 0.000 0.562 2097 H N 1.054 119.839 119.070 -0.475 0.000 2.551 2097 H HA 0.451 5.007 4.556 -0.000 0.000 0.358 2097 H C 1.197 176.463 175.328 -0.103 0.000 1.151 2097 H CA 0.833 56.625 56.048 -0.426 0.000 1.374 2097 H CB 1.151 30.600 29.762 -0.522 0.000 1.473 2097 H HN 0.133 nan 8.280 nan 0.000 0.574 2098 G N -0.042 108.817 108.800 0.099 0.000 2.660 2098 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.247 2098 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.247 2098 G C 0.738 175.779 174.900 0.234 0.000 1.328 2098 G CA -0.125 45.065 45.100 0.151 0.000 0.884 2098 G HN 0.721 nan 8.290 nan 0.000 0.531 2099 A N -0.893 122.076 122.820 0.248 0.000 2.015 2099 A HA 0.505 4.825 4.320 -0.000 0.000 0.219 2099 A C 0.958 178.662 177.584 0.200 0.000 1.163 2099 A CA 1.730 53.882 52.037 0.192 0.000 0.646 2099 A CB -0.264 18.741 19.000 0.009 0.000 0.806 2099 A HN 0.914 nan 8.150 nan 0.000 0.448 2100 F N -0.804 119.297 119.950 0.251 0.000 2.457 2100 F HA 0.566 5.093 4.527 -0.000 0.000 0.330 2100 F C 0.440 176.116 175.800 -0.206 0.000 1.069 2100 F CA -0.731 57.349 58.000 0.134 0.000 1.009 2100 F CB 1.170 40.173 39.000 0.006 0.000 1.276 2100 F HN -0.272 nan 8.300 nan 0.000 0.492 2101 K N 1.593 121.877 120.400 -0.194 0.000 2.604 2101 K HA 0.227 4.546 4.320 -0.000 0.000 0.247 2101 K C -1.696 174.794 176.600 -0.182 0.000 0.956 2101 K CA -0.480 55.574 56.287 -0.389 0.000 0.896 2101 K CB 1.483 33.484 32.500 -0.832 0.000 1.131 2101 K HN 0.534 nan 8.250 nan 0.000 0.440 2102 D N 2.382 122.680 120.400 -0.170 0.000 2.443 2102 D HA 0.374 5.014 4.640 -0.000 0.000 0.221 2102 D C -0.590 175.471 176.300 -0.399 0.000 1.097 2102 D CA -0.078 53.792 54.000 -0.218 0.000 0.865 2102 D CB 1.410 42.122 40.800 -0.146 0.000 1.034 2102 D HN 0.452 nan 8.370 nan 0.000 0.511 2103 A N 3.377 125.913 122.820 -0.474 0.000 2.398 2103 A HA 0.497 4.816 4.320 -0.000 0.000 0.301 2103 A C -1.032 176.266 177.584 -0.477 0.000 1.041 2103 A CA -0.808 50.931 52.037 -0.497 0.000 0.711 2103 A CB 1.441 20.225 19.000 -0.360 0.000 1.240 2103 A HN 0.442 nan 8.150 nan 0.000 0.420 2104 H N 2.203 121.240 119.070 -0.054 0.000 2.466 2104 H HA 0.399 4.955 4.556 -0.000 0.000 0.338 2104 H C -0.788 174.328 175.328 -0.354 0.000 1.091 2104 H CA -0.757 55.219 56.048 -0.120 0.000 1.207 2104 H CB 1.458 31.194 29.762 -0.044 0.000 1.466 2104 H HN 0.629 nan 8.280 nan 0.000 0.493 2105 N N 2.887 121.350 118.700 -0.394 0.000 2.430 2105 N HA 0.239 4.979 4.740 -0.000 0.000 0.292 2105 N C -0.690 174.348 175.510 -0.786 0.000 1.051 2105 N CA -0.227 52.545 53.050 -0.464 0.000 0.917 2105 N CB 1.482 39.792 38.487 -0.294 0.000 1.164 2105 N HN 0.467 nan 8.380 nan 0.000 0.484 2106 Y N 0.114 120.139 120.300 -0.459 0.000 2.634 2106 Y HA 0.595 5.145 4.550 -0.000 0.000 0.340 2106 Y C -0.384 175.248 175.900 -0.447 0.000 1.058 2106 Y CA -1.207 56.586 58.100 -0.512 0.000 1.081 2106 Y CB 1.594 39.587 38.460 -0.779 0.000 1.295 2106 Y HN 0.283 nan 8.280 nan 0.000 0.487 2107 L N 2.717 123.936 121.223 -0.007 0.000 2.410 2107 L HA 0.886 5.226 4.340 -0.000 0.000 0.270 2107 L C -1.371 175.643 176.870 0.238 0.000 0.983 2107 L CA -0.807 54.091 54.840 0.097 0.000 0.822 2107 L CB 1.693 43.750 42.059 -0.003 0.000 1.285 2107 L HN 0.479 nan 8.230 nan 0.000 0.409 2108 V N 0.981 121.103 119.914 0.348 0.000 2.914 2108 V HA 0.997 5.116 4.120 -0.000 0.000 0.314 2108 V C -0.270 176.064 176.094 0.400 0.000 1.084 2108 V CA 0.112 62.636 62.300 0.372 0.000 0.963 2108 V CB 1.647 33.727 31.823 0.429 0.000 1.025 2108 V HN 0.986 nan 8.190 nan 0.000 0.432 2109 T N -0.571 114.157 114.554 0.289 0.000 2.901 2109 T HA 0.992 5.342 4.350 -0.000 0.000 0.293 2109 T C -0.354 174.236 174.700 -0.183 0.000 1.084 2109 T CA -0.304 61.833 62.100 0.061 0.000 1.008 2109 T CB 1.846 70.609 68.868 -0.175 0.000 1.170 2109 T HN 2.335 nan 8.240 nan 0.000 0.509 2110 A N 0.523 123.048 122.820 -0.493 0.000 2.612 2110 A HA 0.635 4.955 4.320 -0.000 0.000 0.293 2110 A C 0.031 177.401 177.584 -0.356 0.000 1.075 2110 A CA -0.726 50.874 52.037 -0.728 0.000 0.680 2110 A CB 1.475 19.348 19.000 -1.877 0.000 1.279 2110 A HN 0.610 nan 8.150 nan 0.000 0.411 2111 Q N 0.438 120.082 119.800 -0.260 0.000 2.396 2111 Q HA 0.195 4.535 4.340 -0.000 0.000 0.209 2111 Q C -0.374 175.664 176.000 0.063 0.000 0.906 2111 Q CA 0.730 56.488 55.803 -0.075 0.000 0.927 2111 Q CB 0.370 29.051 28.738 -0.095 0.000 1.069 2111 Q HN 0.632 nan 8.270 nan 0.000 0.523 2112 N N 0.377 119.003 118.700 -0.123 0.000 2.249 2112 N HA 0.149 4.889 4.740 -0.000 0.000 0.296 2112 N C 0.593 175.798 175.510 -0.508 0.000 1.051 2112 N CA -0.332 52.626 53.050 -0.153 0.000 0.815 2112 N CB 2.206 40.597 38.487 -0.161 0.000 1.487 2112 N HN -0.090 nan 8.380 nan 0.000 0.475 2113 I N 2.076 122.191 120.570 -0.759 0.000 2.315 2113 I HA -0.266 3.904 4.170 -0.000 0.000 0.251 2113 I C 2.075 178.003 176.117 -0.315 0.000 1.125 2113 I CA 1.903 62.632 61.300 -0.951 0.000 1.392 2113 I CB 0.134 37.397 38.000 -1.229 0.000 1.065 2113 I HN 0.619 nan 8.210 nan 0.000 0.424 2114 E N -0.328 119.716 120.200 -0.261 0.000 2.389 2114 E HA 0.157 4.507 4.350 -0.000 0.000 0.199 2114 E C 1.398 177.947 176.600 -0.084 0.000 0.978 2114 E CA 0.499 56.848 56.400 -0.086 0.000 0.912 2114 E CB -1.107 28.520 29.700 -0.123 0.000 0.907 2114 E HN 0.318 nan 8.360 nan 0.000 0.494 2115 G N 3.873 112.537 108.800 -0.228 0.000 2.825 2115 G HA2 0.058 4.017 3.960 -0.000 0.000 0.241 2115 G HA3 0.058 4.017 3.960 -0.000 0.000 0.241 2115 G C -2.073 172.653 174.900 -0.291 0.000 1.239 2115 G CA -0.419 44.538 45.100 -0.237 0.000 0.859 2115 G HN 0.140 nan 8.290 nan 0.000 0.598 2116 P HA -0.005 nan 4.420 nan 0.000 0.265 2116 P C -0.911 176.252 177.300 -0.227 0.000 1.193 2116 P CA 0.232 63.271 63.100 -0.101 0.000 0.765 2116 P CB 0.504 32.173 31.700 -0.053 0.000 0.823 2117 W N 1.779 123.054 121.300 -0.042 0.000 2.496 2117 W HA 0.303 4.963 4.660 -0.000 0.000 0.327 2117 W C 1.016 177.530 176.519 -0.007 0.000 1.086 2117 W CA -0.065 57.259 57.345 -0.034 0.000 1.222 2117 W CB 1.081 30.508 29.460 -0.055 0.000 1.304 2117 W HN 0.333 nan 8.180 nan 0.000 0.547 2118 S N 1.008 116.835 115.700 0.212 0.000 2.608 2118 S HA 0.195 4.665 4.470 -0.000 0.000 0.261 2118 S C -0.108 174.597 174.600 0.175 0.000 1.314 2118 S CA -0.663 57.626 58.200 0.148 0.000 0.992 2118 S CB 0.753 64.022 63.200 0.115 0.000 0.935 2118 S HN 0.408 nan 8.310 nan 0.000 0.564 2119 D N 2.218 122.697 120.400 0.131 0.000 2.344 2119 D HA 0.411 5.051 4.640 -0.000 0.000 0.244 2119 D C -1.952 174.441 176.300 0.156 0.000 1.134 2119 D CA -1.161 52.913 54.000 0.124 0.000 0.930 2119 D CB 0.448 41.302 40.800 0.090 0.000 1.175 2119 D HN 0.439 nan 8.370 nan 0.000 0.437 2120 P HA 0.201 nan 4.420 nan 0.000 0.272 2120 P C -0.498 176.930 177.300 0.214 0.000 1.223 2120 P CA -0.111 63.108 63.100 0.198 0.000 0.784 2120 P CB 0.907 32.679 31.700 0.119 0.000 0.923 2121 I N 2.227 122.941 120.570 0.240 0.000 2.389 2121 I HA 0.231 4.401 4.170 -0.000 0.000 0.288 2121 I C 0.175 176.449 176.117 0.262 0.000 0.999 2121 I CA -1.154 60.287 61.300 0.234 0.000 1.129 2121 I CB 1.245 39.370 38.000 0.208 0.000 1.288 2121 I HN 0.374 nan 8.210 nan 0.000 0.444 2122 Y N 6.615 127.016 120.300 0.169 0.000 2.359 2122 Y HA 0.245 4.795 4.550 -0.000 0.000 0.330 2122 Y C 0.091 175.971 175.900 -0.034 0.000 1.143 2122 Y CA 0.163 58.284 58.100 0.034 0.000 1.318 2122 Y CB 0.860 39.333 38.460 0.022 0.000 1.234 2122 Y HN 0.520 nan 8.280 nan 0.000 0.522 2123 L N 3.578 124.199 121.223 -1.004 0.000 2.738 2123 L HA 0.252 4.592 4.340 -0.000 0.000 0.178 2123 L C -0.198 176.122 176.870 -0.917 0.000 1.281 2123 L CA -0.027 54.386 54.840 -0.711 0.000 0.864 2123 L CB -0.143 41.646 42.059 -0.450 0.000 1.224 2123 L HN 0.761 nan 8.230 nan 0.000 0.520 2124 N N -2.915 115.240 118.700 -0.908 0.000 3.364 2124 N HA 0.197 4.936 4.740 -0.000 0.000 0.294 2124 N C -0.684 174.709 175.510 -0.195 0.000 1.562 2124 N CA -0.453 52.331 53.050 -0.444 0.000 0.862 2124 N CB 1.533 39.911 38.487 -0.182 0.000 1.691 2124 N HN -0.147 nan 8.380 nan 0.000 0.572 2125 S N -1.294 114.428 115.700 0.036 0.000 2.911 2125 S HA 0.093 4.563 4.470 -0.000 0.000 0.261 2125 S C 0.724 175.352 174.600 0.045 0.000 1.021 2125 S CA 0.126 58.381 58.200 0.091 0.000 1.222 2125 S CB -0.336 63.034 63.200 0.283 0.000 1.171 2125 S HN 0.669 nan 8.310 nan 0.000 0.669 2126 S N 1.374 117.093 115.700 0.032 0.000 2.465 2126 S HA 0.302 4.772 4.470 -0.000 0.000 0.241 2126 S C 1.054 175.665 174.600 0.018 0.000 1.000 2126 S CA 0.710 58.937 58.200 0.044 0.000 0.964 2126 S CB -0.020 63.197 63.200 0.029 0.000 0.763 2126 S HN 0.709 nan 8.310 nan 0.000 0.512 2127 G N 0.150 108.924 108.800 -0.044 0.000 2.368 2127 G HA2 0.452 4.412 3.960 -0.000 0.000 0.293 2127 G HA3 0.452 4.412 3.960 -0.000 0.000 0.293 2127 G C -0.713 174.099 174.900 -0.147 0.000 1.467 2127 G CA -0.770 44.238 45.100 -0.153 0.000 0.804 2127 G HN 0.287 nan 8.290 nan 0.000 0.535 2128 F N -1.113 118.831 119.950 -0.010 0.000 2.294 2128 F HA 0.750 5.276 4.527 -0.000 0.000 0.319 2128 F C 0.495 176.357 175.800 0.103 0.000 1.107 2128 F CA -0.382 57.622 58.000 0.006 0.000 1.094 2128 F CB 0.219 39.220 39.000 0.000 0.000 1.508 2128 F HN 0.408 nan 8.300 nan 0.000 0.506 2129 D N -0.312 120.368 120.400 0.467 0.000 2.705 2129 D HA -0.111 4.528 4.640 -0.000 0.000 0.240 2129 D C -2.553 173.836 176.300 0.148 0.000 1.137 2129 D CA 0.411 54.618 54.000 0.345 0.000 0.677 2129 D CB -1.587 39.452 40.800 0.398 0.000 1.049 2129 D HN 0.402 nan 8.370 nan 0.000 0.427 2130 P HA 0.295 nan 4.420 nan 0.000 0.278 2130 P C -0.442 176.913 177.300 0.093 0.000 1.238 2130 P CA -0.207 62.925 63.100 0.054 0.000 0.794 2130 P CB 1.829 33.533 31.700 0.006 0.000 0.955 2131 S N 2.028 117.772 115.700 0.074 0.000 2.572 2131 S HA 0.455 4.924 4.470 -0.000 0.000 0.274 2131 S C -1.341 173.318 174.600 0.097 0.000 1.150 2131 S CA -0.651 57.634 58.200 0.143 0.000 0.944 2131 S CB 0.487 63.803 63.200 0.194 0.000 1.071 2131 S HN 0.331 nan 8.310 nan 0.000 0.479 2132 L N 5.467 126.735 121.223 0.076 0.000 2.275 2132 L HA 0.716 5.056 4.340 -0.000 0.000 0.288 2132 L C -1.069 175.773 176.870 -0.047 0.000 1.046 2132 L CA -0.314 54.496 54.840 -0.051 0.000 0.805 2132 L CB 0.780 42.725 42.059 -0.190 0.000 1.193 2132 L HN 0.666 nan 8.230 nan 0.000 0.426 2133 F N 4.229 124.067 119.950 -0.186 0.000 2.458 2133 F HA 0.483 5.010 4.527 -0.000 0.000 0.336 2133 F C -0.736 174.920 175.800 -0.241 0.000 1.114 2133 F CA -0.451 57.480 58.000 -0.114 0.000 0.987 2133 F CB 0.836 39.864 39.000 0.046 0.000 1.130 2133 F HN 0.586 nan 8.300 nan 0.000 0.458 2134 H N 4.122 122.701 119.070 -0.819 0.000 2.661 2134 H HA 0.248 4.804 4.556 -0.000 0.000 0.290 2134 H C -0.478 174.207 175.328 -1.072 0.000 1.082 2134 H CA -0.677 54.858 56.048 -0.854 0.000 1.234 2134 H CB 0.483 29.666 29.762 -0.964 0.000 1.387 2134 H HN 0.504 nan 8.280 nan 0.000 0.476 2135 D N 1.253 121.256 120.400 -0.662 0.000 2.358 2135 D HA -0.055 4.585 4.640 -0.000 0.000 0.244 2135 D C 0.668 176.944 176.300 -0.039 0.000 1.163 2135 D CA -0.348 53.499 54.000 -0.255 0.000 0.945 2135 D CB 0.964 41.953 40.800 0.315 0.000 1.152 2135 D HN 0.671 nan 8.370 nan 0.000 0.451 2136 D N -0.565 119.887 120.400 0.086 0.000 2.378 2136 D HA -0.124 4.516 4.640 -0.000 0.000 0.227 2136 D C 0.479 176.843 176.300 0.106 0.000 1.012 2136 D CA 0.245 54.306 54.000 0.101 0.000 0.905 2136 D CB -0.129 40.731 40.800 0.101 0.000 0.895 2136 D HN 0.315 nan 8.370 nan 0.000 0.532 2137 D N -1.459 119.016 120.400 0.125 0.000 2.368 2137 D HA 0.200 4.840 4.640 -0.000 0.000 0.218 2137 D C 1.689 178.046 176.300 0.094 0.000 1.112 2137 D CA 0.082 54.152 54.000 0.115 0.000 0.834 2137 D CB -0.078 40.811 40.800 0.149 0.000 0.953 2137 D HN 0.224 nan 8.370 nan 0.000 0.505 2138 G N 0.382 109.232 108.800 0.084 0.000 2.225 2138 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.254 2138 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.254 2138 G C 0.407 175.314 174.900 0.011 0.000 0.988 2138 G CA -0.083 45.056 45.100 0.064 0.000 0.625 2138 G HN 0.428 nan 8.290 nan 0.000 0.527 2139 R N 0.512 121.028 120.500 0.027 0.000 2.531 2139 R HA 0.586 4.926 4.340 -0.000 0.000 0.273 2139 R C -0.036 176.191 176.300 -0.123 0.000 1.070 2139 R CA -0.055 56.008 56.100 -0.061 0.000 1.112 2139 R CB 0.690 31.000 30.300 0.017 0.000 1.049 2139 R HN 0.246 nan 8.270 nan 0.000 0.508 2140 K N 1.543 121.754 120.400 -0.315 0.000 2.316 2140 K HA 0.377 4.697 4.320 -0.000 0.000 0.251 2140 K C -1.290 175.080 176.600 -0.384 0.000 0.934 2140 K CA -0.579 55.548 56.287 -0.267 0.000 0.802 2140 K CB 1.737 34.125 32.500 -0.186 0.000 1.171 2140 K HN 0.381 nan 8.250 nan 0.000 0.426 2141 W N 2.539 123.843 121.300 0.007 0.000 2.915 2141 W HA 0.482 5.142 4.660 -0.000 0.000 0.337 2141 W C -1.031 175.506 176.519 0.031 0.000 1.102 2141 W CA -0.748 56.642 57.345 0.074 0.000 1.224 2141 W CB 1.111 30.659 29.460 0.147 0.000 1.416 2141 W HN 0.291 nan 8.180 nan 0.000 0.503 2142 L N 4.444 125.809 121.223 0.237 0.000 2.313 2142 L HA 0.817 5.157 4.340 -0.000 0.000 0.283 2142 L C -0.545 176.388 176.870 0.105 0.000 1.013 2142 L CA -0.880 54.023 54.840 0.105 0.000 0.816 2142 L CB 1.109 43.177 42.059 0.014 0.000 1.236 2142 L HN 0.318 nan 8.230 nan 0.000 0.419 2143 V N 3.022 122.971 119.914 0.059 0.000 2.715 2143 V HA 0.799 4.918 4.120 -0.000 0.000 0.310 2143 V C -0.857 175.231 176.094 -0.011 0.000 1.054 2143 V CA -0.499 61.809 62.300 0.012 0.000 0.928 2143 V CB 1.744 33.547 31.823 -0.035 0.000 1.007 2143 V HN 0.998 nan 8.190 nan 0.000 0.437 2144 N N 2.416 121.099 118.700 -0.029 0.000 3.046 2144 N HA 0.431 5.171 4.740 -0.000 0.000 0.243 2144 N C -0.955 174.515 175.510 -0.067 0.000 1.452 2144 N CA -0.846 52.179 53.050 -0.043 0.000 0.882 2144 N CB 2.160 40.621 38.487 -0.044 0.000 1.425 2144 N HN 0.894 nan 8.380 nan 0.000 0.517 2145 M N 0.057 119.588 119.600 -0.116 0.000 2.247 2145 M HA 0.552 5.032 4.480 -0.000 0.000 0.326 2145 M C -0.142 176.055 176.300 -0.171 0.000 1.134 2145 M CA -0.183 55.033 55.300 -0.139 0.000 1.136 2145 M CB 0.149 32.633 32.600 -0.193 0.000 1.454 2145 M HN 0.494 nan 8.290 nan 0.000 0.467 2146 I N -0.362 120.139 120.570 -0.115 0.000 2.404 2146 I HA 0.507 4.677 4.170 -0.000 0.000 0.293 2146 I C -1.385 174.686 176.117 -0.076 0.000 0.992 2146 I CA -0.654 60.601 61.300 -0.075 0.000 1.149 2146 I CB 1.454 39.427 38.000 -0.045 0.000 1.315 2146 I HN 0.857 nan 8.210 nan 0.000 0.446 2147 W N 6.835 128.006 121.300 -0.216 0.000 2.335 2147 W HA 0.345 5.004 4.660 -0.000 0.000 0.307 2147 W C -1.240 175.207 176.519 -0.120 0.000 1.117 2147 W CA -0.014 57.204 57.345 -0.213 0.000 1.228 2147 W CB 1.558 30.925 29.460 -0.155 0.000 1.240 2147 W HN 0.634 nan 8.180 nan 0.000 0.468 2148 D N 5.984 125.972 120.400 -0.687 0.000 2.392 2148 D HA 0.039 4.679 4.640 -0.000 0.000 0.228 2148 D C 0.472 176.314 176.300 -0.763 0.000 1.074 2148 D CA -0.457 53.203 54.000 -0.567 0.000 0.838 2148 D CB 0.646 41.168 40.800 -0.463 0.000 1.067 2148 D HN 0.442 nan 8.370 nan 0.000 0.511 2149 Y N 2.255 122.324 120.300 -0.385 0.000 2.511 2149 Y HA 0.317 4.867 4.550 -0.000 0.000 0.279 2149 Y C 0.683 176.384 175.900 -0.332 0.000 1.157 2149 Y CA -0.517 57.347 58.100 -0.393 0.000 1.300 2149 Y CB -0.258 37.781 38.460 -0.700 0.000 1.052 2149 Y HN 0.012 nan 8.280 nan 0.000 0.529 2150 R N 2.110 122.153 120.500 -0.762 0.000 2.623 2150 R HA 0.007 4.347 4.340 -0.000 0.000 0.271 2150 R C 1.482 177.661 176.300 -0.203 0.000 1.043 2150 R CA 0.147 55.986 56.100 -0.433 0.000 1.083 2150 R CB 0.675 30.704 30.300 -0.452 0.000 0.974 2150 R HN 0.299 nan 8.270 nan 0.000 0.436 2151 K N 2.006 122.353 120.400 -0.088 0.000 2.023 2151 K HA -0.232 4.088 4.320 -0.000 0.000 0.227 2151 K C 1.331 177.902 176.600 -0.048 0.000 1.054 2151 K CA 2.224 58.487 56.287 -0.039 0.000 0.977 2151 K CB -0.388 32.109 32.500 -0.004 0.000 0.733 2151 K HN 0.816 nan 8.250 nan 0.000 0.451 2152 G N 0.704 109.471 108.800 -0.055 0.000 3.440 2152 G HA2 0.066 4.026 3.960 -0.000 0.000 0.263 2152 G HA3 0.066 4.026 3.960 -0.000 0.000 0.263 2152 G C -0.660 174.208 174.900 -0.054 0.000 1.236 2152 G CA -0.406 44.669 45.100 -0.042 0.000 0.927 2152 G HN 0.236 nan 8.290 nan 0.000 0.530 2153 N N -0.157 118.489 118.700 -0.090 0.000 2.292 2153 N HA 0.241 4.981 4.740 -0.000 0.000 0.303 2153 N C -1.213 174.248 175.510 -0.081 0.000 1.140 2153 N CA -0.776 52.219 53.050 -0.092 0.000 0.788 2153 N CB 1.334 39.727 38.487 -0.156 0.000 1.361 2153 N HN 0.166 nan 8.380 nan 0.000 0.489 2154 H N 2.601 121.592 119.070 -0.131 0.000 2.848 2154 H HA 0.148 4.704 4.556 -0.000 0.000 0.317 2154 H C -1.306 173.885 175.328 -0.228 0.000 1.046 2154 H CA -1.066 54.920 56.048 -0.104 0.000 1.470 2154 H CB 0.920 30.657 29.762 -0.041 0.000 1.483 2154 H HN 0.364 nan 8.280 nan 0.000 0.548 2155 P HA -0.180 nan 4.420 nan 0.000 0.218 2155 P C -0.131 176.489 177.300 -1.134 0.000 1.148 2155 P CA 1.078 63.433 63.100 -1.242 0.000 0.822 2155 P CB 0.116 30.720 31.700 -1.826 0.000 0.784 2156 F N 0.587 120.037 119.950 -0.834 0.000 2.619 2156 F HA 0.327 4.854 4.527 -0.000 0.000 0.350 2156 F C 1.701 177.406 175.800 -0.159 0.000 1.259 2156 F CA -0.588 57.215 58.000 -0.328 0.000 1.204 2156 F CB -0.163 38.772 39.000 -0.109 0.000 1.556 2156 F HN -0.057 nan 8.300 nan 0.000 0.650 2157 A N 2.468 125.220 122.820 -0.113 0.000 2.252 2157 A HA 0.505 4.825 4.320 -0.000 0.000 0.207 2157 A C 1.355 178.916 177.584 -0.039 0.000 1.194 2157 A CA 0.732 52.725 52.037 -0.075 0.000 0.809 2157 A CB -0.955 17.960 19.000 -0.141 0.000 0.814 2157 A HN 0.927 nan 8.150 nan 0.000 0.482 2158 G N -1.154 107.642 108.800 -0.006 0.000 2.362 2158 G HA2 0.106 4.066 3.960 -0.000 0.000 0.517 2158 G HA3 0.106 4.066 3.960 -0.000 0.000 0.517 2158 G C -0.945 173.946 174.900 -0.015 0.000 1.256 2158 G CA -0.487 44.596 45.100 -0.030 0.000 1.027 2158 G HN 0.318 nan 8.290 nan 0.000 0.491 2159 I N 0.399 120.963 120.570 -0.009 0.000 2.354 2159 I HA 0.614 4.784 4.170 -0.000 0.000 0.292 2159 I C 0.103 176.209 176.117 -0.019 0.000 0.989 2159 I CA -0.883 60.411 61.300 -0.009 0.000 1.188 2159 I CB 0.992 38.996 38.000 0.006 0.000 1.342 2159 I HN 0.525 nan 8.210 nan 0.000 0.457 2160 I N 6.602 127.158 120.570 -0.023 0.000 2.607 2160 I HA 0.513 4.683 4.170 -0.000 0.000 0.305 2160 I C -0.716 175.402 176.117 0.002 0.000 0.995 2160 I CA -0.701 60.594 61.300 -0.008 0.000 1.148 2160 I CB 1.952 39.948 38.000 -0.005 0.000 1.323 2160 I HN 0.414 nan 8.210 nan 0.000 0.461 2161 L N 5.799 127.040 121.223 0.030 0.000 2.410 2161 L HA 0.651 4.991 4.340 -0.000 0.000 0.270 2161 L C -1.222 175.746 176.870 0.164 0.000 0.983 2161 L CA -0.013 54.874 54.840 0.079 0.000 0.822 2161 L CB 1.531 43.599 42.059 0.017 0.000 1.285 2161 L HN 0.699 nan 8.230 nan 0.000 0.409 2162 Q N 2.825 122.772 119.800 0.244 0.000 2.320 2162 Q HA 0.322 4.662 4.340 -0.000 0.000 0.272 2162 Q C -1.522 174.609 176.000 0.219 0.000 1.023 2162 Q CA -0.641 55.299 55.803 0.228 0.000 0.855 2162 Q CB 1.913 30.712 28.738 0.102 0.000 1.367 2162 Q HN 0.759 nan 8.270 nan 0.000 0.406 2163 E N 2.342 122.539 120.200 -0.006 0.000 2.373 2163 E HA 0.069 4.419 4.350 -0.000 0.000 0.267 2163 E C -1.640 174.818 176.600 -0.237 0.000 1.032 2163 E CA -0.232 55.859 56.400 -0.515 0.000 0.889 2163 E CB 0.646 29.729 29.700 -1.028 0.000 0.984 2163 E HN 0.512 nan 8.360 nan 0.000 0.425 2164 Y N 3.008 123.083 120.300 -0.375 0.000 2.352 2164 Y HA 0.290 4.840 4.550 -0.000 0.000 0.339 2164 Y C -0.761 175.000 175.900 -0.231 0.000 0.992 2164 Y CA -0.848 57.114 58.100 -0.231 0.000 1.100 2164 Y CB 1.711 40.066 38.460 -0.175 0.000 1.192 2164 Y HN 0.396 nan 8.280 nan 0.000 0.458 2165 S N 5.199 120.352 115.700 -0.912 0.000 2.423 2165 S HA 0.167 4.637 4.470 -0.000 0.000 0.317 2165 S C 0.851 174.885 174.600 -0.943 0.000 1.065 2165 S CA -0.473 57.303 58.200 -0.707 0.000 1.111 2165 S CB 0.517 63.474 63.200 -0.406 0.000 0.968 2165 S HN 0.993 nan 8.310 nan 0.000 0.474 2166 E N 4.449 124.279 120.200 -0.616 0.000 2.150 2166 E HA -0.072 4.277 4.350 -0.000 0.000 0.193 2166 E C 1.903 178.416 176.600 -0.145 0.000 0.985 2166 E CA 1.141 57.384 56.400 -0.262 0.000 0.814 2166 E CB -0.158 29.574 29.700 0.053 0.000 0.752 2166 E HN 0.859 nan 8.360 nan 0.000 0.466 2167 A N 1.210 123.935 122.820 -0.159 0.000 1.858 2167 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 2167 A C 1.841 179.370 177.584 -0.092 0.000 1.190 2167 A CA 1.637 53.617 52.037 -0.094 0.000 0.617 2167 A CB -0.372 18.573 19.000 -0.092 0.000 0.827 2167 A HN 0.298 nan 8.150 nan 0.000 0.443 2168 E N -0.487 119.628 120.200 -0.143 0.000 2.479 2168 E HA 0.040 4.390 4.350 -0.000 0.000 0.193 2168 E C -0.534 176.014 176.600 -0.086 0.000 1.049 2168 E CA 0.036 56.374 56.400 -0.103 0.000 0.870 2168 E CB 0.033 29.668 29.700 -0.110 0.000 0.944 2168 E HN 0.618 nan 8.360 nan 0.000 0.492 2169 Q N 0.696 120.415 119.800 -0.135 0.000 2.439 2169 Q HA -0.241 4.099 4.340 -0.000 0.000 0.325 2169 Q C -0.681 175.368 176.000 0.081 0.000 1.372 2169 Q CA 1.007 56.816 55.803 0.008 0.000 0.909 2169 Q CB -1.718 27.085 28.738 0.109 0.000 1.167 2169 Q HN 0.352 nan 8.270 nan 0.000 0.418 2170 K N -1.816 118.550 120.400 -0.056 0.000 2.642 2170 K HA 0.587 4.907 4.320 -0.000 0.000 0.290 2170 K C -1.118 175.480 176.600 -0.003 0.000 1.006 2170 K CA -1.169 55.158 56.287 0.067 0.000 0.869 2170 K CB 0.912 33.428 32.500 0.028 0.000 1.499 2170 K HN 0.019 nan 8.250 nan 0.000 0.403 2171 L N 1.586 122.857 121.223 0.080 0.000 2.417 2171 L HA 0.472 4.811 4.340 -0.000 0.000 0.268 2171 L C -0.397 176.454 176.870 -0.032 0.000 1.158 2171 L CA -0.653 54.214 54.840 0.045 0.000 0.819 2171 L CB 1.185 43.267 42.059 0.038 0.000 1.112 2171 L HN 0.397 nan 8.230 nan 0.000 0.458 2172 V N 0.786 120.656 119.914 -0.072 0.000 3.130 2172 V HA 0.873 4.993 4.120 -0.000 0.000 0.310 2172 V C 0.294 176.352 176.094 -0.060 0.000 1.158 2172 V CA -0.077 62.178 62.300 -0.075 0.000 1.029 2172 V CB 1.638 33.389 31.823 -0.120 0.000 1.057 2172 V HN 1.045 nan 8.190 nan 0.000 0.436 2173 G N 2.732 111.513 108.800 -0.032 0.000 2.782 2173 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.228 2173 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.228 2173 G C -2.614 172.303 174.900 0.029 0.000 1.372 2173 G CA -0.294 44.804 45.100 -0.003 0.000 0.862 2173 G HN 0.800 nan 8.290 nan 0.000 0.547 2174 P HA 0.494 nan 4.420 nan 0.000 0.272 2174 P C -0.276 177.073 177.300 0.082 0.000 1.230 2174 P CA -0.238 62.898 63.100 0.060 0.000 0.788 2174 P CB 1.234 32.971 31.700 0.062 0.000 0.949 2175 V N 2.793 122.746 119.914 0.065 0.000 2.483 2175 V HA 0.384 4.504 4.120 -0.000 0.000 0.295 2175 V C 0.381 176.508 176.094 0.055 0.000 1.035 2175 V CA -0.400 61.940 62.300 0.067 0.000 0.896 2175 V CB 1.420 33.272 31.823 0.048 0.000 0.986 2175 V HN 0.534 nan 8.190 nan 0.000 0.447 2176 K N 2.843 123.275 120.400 0.054 0.000 2.422 2176 K HA 0.424 4.744 4.320 -0.000 0.000 0.251 2176 K C -0.851 175.763 176.600 0.023 0.000 0.933 2176 K CA -0.855 55.453 56.287 0.035 0.000 0.798 2176 K CB 2.076 34.594 32.500 0.030 0.000 1.238 2176 K HN 0.525 nan 8.250 nan 0.000 0.428 2177 N N 3.799 122.509 118.700 0.017 0.000 2.406 2177 N HA 0.113 4.853 4.740 -0.000 0.000 0.251 2177 N C 0.514 176.043 175.510 0.031 0.000 1.069 2177 N CA -0.233 52.824 53.050 0.012 0.000 0.947 2177 N CB 0.645 39.132 38.487 0.001 0.000 1.111 2177 N HN 0.722 nan 8.380 nan 0.000 0.497 2178 I N 1.177 121.768 120.570 0.036 0.000 3.645 2178 I HA 0.308 4.477 4.170 -0.000 0.000 0.300 2178 I C -0.404 175.823 176.117 0.183 0.000 1.260 2178 I CA -0.036 61.319 61.300 0.092 0.000 1.365 2178 I CB 0.088 38.120 38.000 0.052 0.000 1.077 2178 I HN 0.317 nan 8.210 nan 0.000 0.439 2179 Y N 1.108 121.365 120.300 -0.071 0.000 2.480 2179 Y HA 0.375 4.925 4.550 -0.000 0.000 0.329 2179 Y C -0.078 175.789 175.900 -0.056 0.000 1.127 2179 Y CA -0.994 57.061 58.100 -0.075 0.000 1.037 2179 Y CB 1.434 39.767 38.460 -0.211 0.000 1.320 2179 Y HN -0.250 nan 8.280 nan 0.000 0.446 2180 K N 3.715 123.835 120.400 -0.467 0.000 2.358 2180 K HA 0.356 4.675 4.320 -0.000 0.000 0.197 2180 K C 0.619 176.860 176.600 -0.598 0.000 1.025 2180 K CA 0.732 56.778 56.287 -0.402 0.000 1.104 2180 K CB 0.673 33.036 32.500 -0.228 0.000 0.855 2180 K HN 1.011 nan 8.250 nan 0.000 0.531 2181 G N 1.310 109.316 108.800 -1.325 0.000 2.681 2181 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 2181 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 2181 G C 0.037 174.622 174.900 -0.525 0.000 1.353 2181 G CA -0.133 44.428 45.100 -0.897 0.000 0.872 2181 G HN 0.259 nan 8.290 nan 0.000 0.557 2182 T N -3.429 110.939 114.554 -0.309 0.000 2.844 2182 T HA 0.596 4.946 4.350 -0.000 0.000 0.274 2182 T C 1.280 175.882 174.700 -0.163 0.000 0.991 2182 T CA 0.819 62.747 62.100 -0.286 0.000 0.983 2182 T CB 1.529 70.121 68.868 -0.461 0.000 1.310 2182 T HN 1.171 nan 8.240 nan 0.000 0.596 2183 D N -0.218 120.129 120.400 -0.089 0.000 2.378 2183 D HA -0.036 4.604 4.640 -0.000 0.000 0.222 2183 D C 1.631 177.921 176.300 -0.016 0.000 0.980 2183 D CA 0.430 54.404 54.000 -0.043 0.000 0.907 2183 D CB -0.602 40.205 40.800 0.011 0.000 0.899 2183 D HN 0.620 nan 8.370 nan 0.000 0.527 2184 I N -0.291 120.296 120.570 0.028 0.000 2.546 2184 I HA -0.151 4.019 4.170 -0.000 0.000 0.255 2184 I C 0.915 177.014 176.117 -0.031 0.000 1.163 2184 I CA 0.370 61.691 61.300 0.036 0.000 1.457 2184 I CB -0.308 37.749 38.000 0.095 0.000 1.092 2184 I HN 0.000 nan 8.210 nan 0.000 0.434 2185 Q N -1.018 118.734 119.800 -0.079 0.000 0.603 2185 Q HA -0.276 4.064 4.340 -0.000 0.000 0.339 2185 Q C 0.154 176.102 176.000 -0.086 0.000 1.076 2185 Q CA 0.488 56.222 55.803 -0.116 0.000 0.347 2185 Q CB -0.784 27.782 28.738 -0.286 0.000 5.454 2185 Q HN 0.247 nan 8.270 nan 0.000 0.353 2186 L N -1.293 119.897 121.223 -0.055 0.000 3.678 2186 L HA -0.198 4.142 4.340 -0.000 0.000 0.425 2186 L C 0.020 176.627 176.870 -0.439 0.000 1.240 2186 L CA 1.642 55.970 54.840 -0.852 0.000 0.876 2186 L CB -2.318 39.279 42.059 -0.770 0.000 1.766 2186 L HN 0.539 nan 8.230 nan 0.000 0.917 2187 T N 0.629 115.163 114.554 -0.032 0.000 2.817 2187 T HA 0.438 4.788 4.350 -0.000 0.000 0.295 2187 T C 0.590 175.439 174.700 0.248 0.000 0.958 2187 T CA 0.469 62.621 62.100 0.087 0.000 1.157 2187 T CB 0.785 69.670 68.868 0.028 0.000 0.898 2187 T HN 0.663 nan 8.240 nan 0.000 0.536 2188 E N 1.437 121.765 120.200 0.212 0.000 2.233 2188 E HA 0.568 4.918 4.350 -0.000 0.000 0.223 2188 E C 0.345 176.990 176.600 0.075 0.000 1.048 2188 E CA -1.183 55.369 56.400 0.253 0.000 0.883 2188 E CB 0.063 30.089 29.700 0.543 0.000 1.925 2188 E HN 0.554 nan 8.360 nan 0.000 0.460 2189 G N 1.926 110.755 108.800 0.048 0.000 2.421 2189 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.300 2189 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.300 2189 G C -2.154 172.495 174.900 -0.418 0.000 0.974 2189 G CA 0.338 45.247 45.100 -0.318 0.000 1.062 2189 G HN 0.401 nan 8.290 nan 0.000 0.514 2190 P HA 0.227 nan 4.420 nan 0.000 0.271 2190 P C -0.443 176.609 177.300 -0.413 0.000 1.216 2190 P CA 0.355 63.303 63.100 -0.253 0.000 0.771 2190 P CB 0.990 32.610 31.700 -0.133 0.000 0.864 2191 H N 2.186 121.241 119.070 -0.026 0.000 2.856 2191 H HA 0.367 4.923 4.556 -0.000 0.000 0.355 2191 H C -0.504 174.650 175.328 -0.291 0.000 1.079 2191 H CA -0.708 55.271 56.048 -0.114 0.000 1.240 2191 H CB 1.523 31.288 29.762 0.005 0.000 1.701 2191 H HN 0.245 nan 8.280 nan 0.000 0.527 2192 L N 3.473 124.523 121.223 -0.287 0.000 2.309 2192 L HA 0.379 4.719 4.340 -0.000 0.000 0.282 2192 L C -0.912 175.668 176.870 -0.483 0.000 1.036 2192 L CA -0.465 54.133 54.840 -0.402 0.000 0.806 2192 L CB 0.413 42.050 42.059 -0.704 0.000 1.220 2192 L HN 0.481 nan 8.230 nan 0.000 0.429 2193 Y N 1.837 122.281 120.300 0.240 0.000 2.504 2193 Y HA 0.496 5.046 4.550 -0.000 0.000 0.344 2193 Y C -0.214 175.932 175.900 0.410 0.000 1.023 2193 Y CA -0.965 57.397 58.100 0.437 0.000 1.020 2193 Y CB 1.898 40.639 38.460 0.468 0.000 1.282 2193 Y HN 0.377 nan 8.280 nan 0.000 0.454 2194 K N 3.080 123.829 120.400 0.582 0.000 2.358 2194 K HA 0.564 4.884 4.320 -0.000 0.000 0.260 2194 K C -1.390 175.386 176.600 0.293 0.000 0.956 2194 K CA -0.732 55.743 56.287 0.314 0.000 0.834 2194 K CB 1.045 33.687 32.500 0.237 0.000 1.102 2194 K HN 0.738 nan 8.250 nan 0.000 0.431 2195 K N 3.822 124.364 120.400 0.236 0.000 2.535 2195 K HA 0.142 4.462 4.320 -0.000 0.000 0.251 2195 K C -1.319 175.296 176.600 0.024 0.000 0.942 2195 K CA -0.443 55.906 56.287 0.104 0.000 0.798 2195 K CB 1.113 33.565 32.500 -0.080 0.000 1.267 2195 K HN 0.629 nan 8.250 nan 0.000 0.434 2196 D N 3.264 123.623 120.400 -0.069 0.000 2.686 2196 D HA -0.194 4.446 4.640 -0.000 0.000 0.235 2196 D C 0.732 176.938 176.300 -0.157 0.000 1.160 2196 D CA 2.133 56.069 54.000 -0.107 0.000 0.645 2196 D CB -1.206 39.510 40.800 -0.141 0.000 1.039 2196 D HN 1.077 nan 8.370 nan 0.000 0.423 2197 G N -1.746 106.938 108.800 -0.194 0.000 2.205 2197 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.261 2197 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.261 2197 G C 0.096 174.726 174.900 -0.450 0.000 0.980 2197 G CA 0.527 45.431 45.100 -0.326 0.000 0.632 2197 G HN 0.466 nan 8.290 nan 0.000 0.533 2198 Y N -0.820 119.304 120.300 -0.293 0.000 2.457 2198 Y HA 0.692 5.242 4.550 -0.000 0.000 0.333 2198 Y C -0.004 175.648 175.900 -0.414 0.000 1.119 2198 Y CA -1.390 56.458 58.100 -0.420 0.000 1.143 2198 Y CB 1.157 39.195 38.460 -0.703 0.000 1.230 2198 Y HN 0.089 nan 8.280 nan 0.000 0.469 2199 Y N 1.856 122.107 120.300 -0.081 0.000 2.385 2199 Y HA 0.312 4.862 4.550 -0.000 0.000 0.341 2199 Y C -1.027 174.854 175.900 -0.031 0.000 0.965 2199 Y CA -0.849 57.230 58.100 -0.036 0.000 1.180 2199 Y CB 0.238 38.636 38.460 -0.103 0.000 1.139 2199 Y HN 0.443 nan 8.280 nan 0.000 0.502 2200 Y N 3.907 124.392 120.300 0.309 0.000 2.320 2200 Y HA 0.415 4.964 4.550 -0.000 0.000 0.334 2200 Y C -0.532 175.538 175.900 0.284 0.000 1.055 2200 Y CA -0.852 57.436 58.100 0.314 0.000 1.143 2200 Y CB 1.281 39.954 38.460 0.356 0.000 1.193 2200 Y HN 0.425 nan 8.280 nan 0.000 0.477 2201 L N 6.008 127.410 121.223 0.299 0.000 2.318 2201 L HA 0.509 4.849 4.340 -0.000 0.000 0.277 2201 L C -1.585 175.334 176.870 0.083 0.000 1.008 2201 L CA -0.769 54.073 54.840 0.004 0.000 0.846 2201 L CB 0.712 42.436 42.059 -0.559 0.000 1.220 2201 L HN 0.577 nan 8.230 nan 0.000 0.423 2202 L N 5.818 127.178 121.223 0.229 0.000 2.312 2202 L HA 0.754 5.094 4.340 -0.000 0.000 0.281 2202 L C -0.804 176.138 176.870 0.121 0.000 1.070 2202 L CA 0.088 55.073 54.840 0.242 0.000 0.805 2202 L CB 1.640 43.965 42.059 0.443 0.000 1.174 2202 L HN 0.501 nan 8.230 nan 0.000 0.434 2203 V N 4.185 124.149 119.914 0.084 0.000 3.130 2203 V HA 0.905 5.025 4.120 -0.000 0.000 0.310 2203 V C -0.666 175.438 176.094 0.017 0.000 1.158 2203 V CA -0.245 62.078 62.300 0.038 0.000 1.029 2203 V CB 2.276 34.172 31.823 0.123 0.000 1.057 2203 V HN 1.066 nan 8.190 nan 0.000 0.436 2204 A N 3.088 125.896 122.820 -0.021 0.000 2.312 2204 A HA 0.921 5.241 4.320 -0.000 0.000 0.328 2204 A C -0.513 177.126 177.584 0.092 0.000 1.158 2204 A CA -0.421 51.623 52.037 0.011 0.000 0.821 2204 A CB 0.960 19.982 19.000 0.038 0.000 1.170 2204 A HN 0.853 nan 8.150 nan 0.000 0.490 2205 E N -0.382 119.883 120.200 0.107 0.000 2.449 2205 E HA 0.545 4.894 4.350 -0.000 0.000 0.278 2205 E C 0.382 177.067 176.600 0.143 0.000 0.992 2205 E CA -0.480 55.974 56.400 0.090 0.000 0.807 2205 E CB 1.810 31.544 29.700 0.056 0.000 1.350 2205 E HN 1.511 nan 8.360 nan 0.000 0.462 2206 G N 0.220 109.053 108.800 0.055 0.000 2.184 2206 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.264 2206 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.264 2206 G C 0.555 175.493 174.900 0.063 0.000 0.975 2206 G CA 0.298 45.439 45.100 0.067 0.000 0.642 2206 G HN 1.365 nan 8.290 nan 0.000 0.536 2207 G N -2.132 106.695 108.800 0.044 0.000 2.719 2207 G HA2 0.262 4.221 3.960 -0.000 0.000 0.686 2207 G HA3 0.262 4.221 3.960 -0.000 0.000 0.686 2207 G C 0.315 175.097 174.900 -0.196 0.000 1.201 2207 G CA 0.746 45.840 45.100 -0.009 0.000 0.768 2207 G HN 1.620 nan 8.290 nan 0.000 0.629 2208 T N 0.715 115.046 114.554 -0.372 0.000 3.496 2208 T HA 0.240 4.590 4.350 -0.000 0.000 0.253 2208 T C 1.057 175.517 174.700 -0.400 0.000 1.134 2208 T CA 1.982 63.603 62.100 -0.798 0.000 0.993 2208 T CB -0.470 68.102 68.868 -0.493 0.000 1.018 2208 T HN 0.564 nan 8.240 nan 0.000 0.571 2209 E N -0.629 119.436 120.200 -0.226 0.000 3.388 2209 E HA 0.238 4.588 4.350 -0.000 0.000 0.271 2209 E C 0.401 176.847 176.600 -0.256 0.000 0.808 2209 E CA -0.693 55.560 56.400 -0.246 0.000 1.710 2209 E CB 0.195 29.843 29.700 -0.087 0.000 1.831 2209 E HN 0.260 nan 8.360 nan 0.000 0.541 2210 Y N 0.536 120.866 120.300 0.051 0.000 2.574 2210 Y HA -0.057 4.493 4.550 -0.000 0.000 0.294 2210 Y C 1.326 177.270 175.900 0.073 0.000 1.142 2210 Y CA 0.773 58.908 58.100 0.059 0.000 1.314 2210 Y CB 0.084 38.559 38.460 0.025 0.000 0.991 2210 Y HN 0.294 nan 8.280 nan 0.000 0.555 2211 E N -1.567 118.733 120.200 0.166 0.000 2.501 2211 E HA 0.048 4.398 4.350 -0.000 0.000 0.200 2211 E C -0.123 176.574 176.600 0.163 0.000 1.016 2211 E CA -0.082 56.401 56.400 0.139 0.000 0.921 2211 E CB -0.351 29.414 29.700 0.108 0.000 1.034 2211 E HN 0.423 nan 8.360 nan 0.000 0.468 2212 H N 0.066 119.162 119.070 0.043 0.000 2.929 2212 H HA 0.280 4.836 4.556 -0.000 0.000 0.358 2212 H C -0.258 175.095 175.328 0.041 0.000 1.111 2212 H CA 0.273 56.347 56.048 0.043 0.000 1.409 2212 H CB 0.572 30.359 29.762 0.042 0.000 1.373 2212 H HN 0.208 nan 8.280 nan 0.000 0.610 2213 A N 1.943 124.736 122.820 -0.045 0.000 2.586 2213 A HA 0.636 4.956 4.320 -0.000 0.000 0.290 2213 A C -1.741 175.743 177.584 -0.166 0.000 1.086 2213 A CA -0.085 51.888 52.037 -0.107 0.000 0.665 2213 A CB 1.093 20.096 19.000 0.004 0.000 1.279 2213 A HN 0.805 nan 8.150 nan 0.000 0.423 2214 A N 0.551 123.304 122.820 -0.112 0.000 2.343 2214 A HA 0.855 5.175 4.320 -0.000 0.000 0.308 2214 A C -0.185 177.396 177.584 -0.004 0.000 1.092 2214 A CA 0.171 52.169 52.037 -0.064 0.000 0.751 2214 A CB 0.865 19.819 19.000 -0.077 0.000 1.203 2214 A HN 2.119 nan 8.150 nan 0.000 0.452 2215 T N 0.480 115.060 114.554 0.044 0.000 2.876 2215 T HA 0.699 5.049 4.350 -0.000 0.000 0.289 2215 T C -0.587 174.160 174.700 0.078 0.000 1.014 2215 T CA -0.669 61.475 62.100 0.073 0.000 0.986 2215 T CB 1.197 70.133 68.868 0.114 0.000 1.021 2215 T HN 0.588 nan 8.240 nan 0.000 0.458 2216 L N 1.991 123.257 121.223 0.071 0.000 2.325 2216 L HA 0.835 5.175 4.340 -0.000 0.000 0.278 2216 L C -0.246 176.732 176.870 0.180 0.000 1.023 2216 L CA -0.803 54.134 54.840 0.161 0.000 0.811 2216 L CB 1.521 43.722 42.059 0.236 0.000 1.249 2216 L HN 1.123 nan 8.230 nan 0.000 0.431 2217 A N 4.590 127.551 122.820 0.235 0.000 2.532 2217 A HA 0.918 5.238 4.320 -0.000 0.000 0.290 2217 A C -1.317 176.476 177.584 0.349 0.000 1.143 2217 A CA -0.703 51.459 52.037 0.208 0.000 0.728 2217 A CB 2.145 20.926 19.000 -0.365 0.000 1.317 2217 A HN 0.821 nan 8.150 nan 0.000 0.414 2218 R N -0.577 120.069 120.500 0.244 0.000 2.734 2218 R HA 0.857 5.197 4.340 -0.000 0.000 0.271 2218 R C -1.195 174.927 176.300 -0.297 0.000 1.021 2218 R CA -0.251 55.757 56.100 -0.154 0.000 0.893 2218 R CB 1.465 31.203 30.300 -0.935 0.000 1.244 2218 R HN 1.131 nan 8.270 nan 0.000 0.464 2219 S N -0.575 114.869 115.700 -0.426 0.000 2.565 2219 S HA 0.151 4.621 4.470 -0.000 0.000 0.269 2219 S C -0.300 174.239 174.600 -0.102 0.000 1.153 2219 S CA -0.667 57.269 58.200 -0.439 0.000 0.835 2219 S CB 2.253 64.754 63.200 -1.164 0.000 1.122 2219 S HN 0.778 nan 8.310 nan 0.000 0.462 2220 Q N 0.844 120.601 119.800 -0.072 0.000 2.435 2220 Q HA 0.116 4.456 4.340 -0.000 0.000 0.207 2220 Q C 0.240 176.265 176.000 0.041 0.000 0.956 2220 Q CA 0.603 56.363 55.803 -0.071 0.000 0.917 2220 Q CB 0.277 28.934 28.738 -0.134 0.000 0.997 2220 Q HN 0.694 nan 8.270 nan 0.000 0.497 2221 S N -1.389 114.281 115.700 -0.049 0.000 2.542 2221 S HA 0.321 4.791 4.470 -0.000 0.000 0.293 2221 S C 0.506 174.846 174.600 -0.433 0.000 1.089 2221 S CA -0.835 57.298 58.200 -0.111 0.000 0.961 2221 S CB 1.487 64.597 63.200 -0.150 0.000 1.062 2221 S HN 0.226 nan 8.310 nan 0.000 0.483 2222 I N 0.987 120.995 120.570 -0.936 0.000 2.361 2222 I HA -0.170 4.000 4.170 -0.000 0.000 0.251 2222 I C 1.203 177.018 176.117 -0.503 0.000 1.133 2222 I CA 1.783 62.368 61.300 -1.190 0.000 1.413 2222 I CB -0.059 37.033 38.000 -1.512 0.000 1.073 2222 I HN 0.891 nan 8.210 nan 0.000 0.424 2223 D N -0.027 120.148 120.400 -0.374 0.000 2.325 2223 D HA 0.193 4.833 4.640 -0.000 0.000 0.225 2223 D C 0.936 177.224 176.300 -0.021 0.000 1.096 2223 D CA 0.705 54.608 54.000 -0.160 0.000 0.844 2223 D CB -0.117 40.584 40.800 -0.164 0.000 0.925 2223 D HN 0.429 nan 8.370 nan 0.000 0.513 2224 G N 1.743 110.471 108.800 -0.119 0.000 2.681 2224 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.220 2224 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.220 2224 G C -2.651 172.163 174.900 -0.143 0.000 1.353 2224 G CA -0.514 44.483 45.100 -0.172 0.000 0.872 2224 G HN 0.260 nan 8.290 nan 0.000 0.557 2225 P HA 0.391 nan 4.420 nan 0.000 0.271 2225 P C -1.084 176.167 177.300 -0.083 0.000 1.218 2225 P CA 0.126 63.230 63.100 0.006 0.000 0.780 2225 P CB 0.424 32.141 31.700 0.028 0.000 0.901 2226 Y N 0.279 120.591 120.300 0.021 0.000 2.320 2226 Y HA 0.244 4.794 4.550 -0.000 0.000 0.334 2226 Y C 1.262 177.182 175.900 0.033 0.000 1.055 2226 Y CA -0.225 57.855 58.100 -0.034 0.000 1.143 2226 Y CB 1.156 39.487 38.460 -0.216 0.000 1.193 2226 Y HN 0.408 nan 8.280 nan 0.000 0.477 2227 E N 1.924 122.207 120.200 0.138 0.000 2.197 2227 E HA 0.254 4.604 4.350 -0.000 0.000 0.281 2227 E C -0.774 175.951 176.600 0.208 0.000 0.995 2227 E CA -0.595 55.905 56.400 0.166 0.000 0.808 2227 E CB 1.248 31.043 29.700 0.159 0.000 1.093 2227 E HN 0.597 nan 8.360 nan 0.000 0.394 2228 T N 2.939 117.555 114.554 0.102 0.000 2.909 2228 T HA 0.035 4.385 4.350 -0.000 0.000 0.286 2228 T C -0.231 174.251 174.700 -0.364 0.000 1.002 2228 T CA -0.740 61.327 62.100 -0.055 0.000 1.074 2228 T CB 0.975 69.783 68.868 -0.099 0.000 0.984 2228 T HN 0.575 nan 8.240 nan 0.000 0.495 2229 D N 4.495 124.398 120.400 -0.829 0.000 2.502 2229 D HA 0.089 4.729 4.640 -0.000 0.000 0.249 2229 D C -1.515 174.412 176.300 -0.622 0.000 1.188 2229 D CA -1.670 51.393 54.000 -1.563 0.000 0.890 2229 D CB 1.364 41.439 40.800 -1.209 0.000 1.140 2229 D HN 0.298 nan 8.370 nan 0.000 0.505 2230 P HA -0.084 nan 4.420 nan 0.000 0.218 2230 P C 0.532 177.782 177.300 -0.082 0.000 1.146 2230 P CA 0.939 63.952 63.100 -0.146 0.000 0.813 2230 P CB 0.289 31.925 31.700 -0.106 0.000 0.778 2231 S N -1.668 113.901 115.700 -0.218 0.000 2.660 2231 S HA 0.077 4.547 4.470 -0.000 0.000 0.227 2231 S C 0.290 174.773 174.600 -0.195 0.000 0.948 2231 S CA -0.546 57.541 58.200 -0.188 0.000 0.948 2231 S CB -1.211 61.884 63.200 -0.175 0.000 0.779 2231 S HN 0.246 nan 8.310 nan 0.000 0.487 2232 Y N 2.506 122.665 120.300 -0.234 0.000 2.652 2232 Y HA 0.398 4.948 4.550 -0.000 0.000 0.344 2232 Y C -2.372 173.460 175.900 -0.113 0.000 1.254 2232 Y CA -2.590 55.406 58.100 -0.173 0.000 1.480 2232 Y CB -0.804 37.567 38.460 -0.148 0.000 1.345 2232 Y HN 0.013 nan 8.280 nan 0.000 0.617 2233 P HA 0.076 nan 4.420 nan 0.000 0.280 2233 P C 0.283 177.545 177.300 -0.062 0.000 1.272 2233 P CA -0.600 62.508 63.100 0.014 0.000 0.819 2233 P CB 1.859 33.571 31.700 0.019 0.000 1.122 2234 L N 1.450 122.640 121.223 -0.055 0.000 2.056 2234 L HA 0.030 4.370 4.340 -0.000 0.000 0.207 2234 L C 0.261 177.054 176.870 -0.128 0.000 1.078 2234 L CA 1.884 56.663 54.840 -0.100 0.000 0.749 2234 L CB -0.103 41.899 42.059 -0.096 0.000 0.901 2234 L HN 0.179 nan 8.230 nan 0.000 0.433 2235 V N -1.589 118.248 119.914 -0.128 0.000 3.012 2235 V HA 0.669 4.789 4.120 -0.000 0.000 0.307 2235 V C -0.443 175.569 176.094 -0.137 0.000 1.166 2235 V CA -0.190 62.009 62.300 -0.168 0.000 0.974 2235 V CB 1.526 33.180 31.823 -0.282 0.000 1.040 2235 V HN 0.163 nan 8.190 nan 0.000 0.428 2236 T N 1.067 115.562 114.554 -0.098 0.000 2.843 2236 T HA 0.414 4.764 4.350 -0.000 0.000 0.337 2236 T C -0.185 174.524 174.700 0.015 0.000 1.754 2236 T CA 0.407 62.483 62.100 -0.041 0.000 1.052 2236 T CB 1.829 70.685 68.868 -0.020 0.000 1.588 2236 T HN 0.661 nan 8.240 nan 0.000 0.493 2237 S N 0.589 116.322 115.700 0.055 0.000 2.666 2237 S HA 0.125 4.595 4.470 -0.000 0.000 0.239 2237 S C 1.893 176.546 174.600 0.088 0.000 1.031 2237 S CA 0.580 58.831 58.200 0.085 0.000 1.015 2237 S CB 0.191 63.464 63.200 0.121 0.000 0.981 2237 S HN 1.081 nan 8.310 nan 0.000 0.547 2238 T N 2.188 116.793 114.554 0.084 0.000 1.944 2238 T HA -0.285 4.065 4.350 -0.000 0.000 0.155 2238 T C 1.592 176.329 174.700 0.063 0.000 1.860 2238 T CA 1.786 63.935 62.100 0.082 0.000 0.978 2238 T CB -1.434 67.463 68.868 0.048 0.000 0.826 2238 T HN 0.462 nan 8.240 nan 0.000 0.400 2239 G N 1.483 110.299 108.800 0.026 0.000 3.639 2239 G HA2 0.454 4.414 3.960 -0.000 0.000 0.279 2239 G HA3 0.454 4.414 3.960 -0.000 0.000 0.279 2239 G C -0.064 174.832 174.900 -0.007 0.000 1.312 2239 G CA -0.459 44.644 45.100 0.005 0.000 1.355 2239 G HN 0.764 nan 8.290 nan 0.000 0.595 2240 Q N 0.009 119.812 119.800 0.005 0.000 2.932 2240 Q HA 0.191 4.531 4.340 -0.000 0.000 0.248 2240 Q C -2.074 173.926 176.000 -0.000 0.000 0.982 2240 Q CA -1.651 54.145 55.803 -0.011 0.000 0.730 2240 Q CB 2.494 31.218 28.738 -0.023 0.000 1.249 2240 Q HN 0.068 nan 8.270 nan 0.000 0.476 2241 P HA -0.201 nan 4.420 nan 0.000 0.221 2241 P C 0.261 177.555 177.300 -0.010 0.000 1.145 2241 P CA 1.162 64.248 63.100 -0.024 0.000 0.795 2241 P CB 0.413 32.082 31.700 -0.053 0.000 0.775 2242 E N -0.528 119.661 120.200 -0.017 0.000 2.268 2242 E HA -0.058 4.292 4.350 -0.000 0.000 0.195 2242 E C 0.553 177.155 176.600 0.002 0.000 0.995 2242 E CA 0.296 56.687 56.400 -0.014 0.000 0.836 2242 E CB -0.900 28.781 29.700 -0.031 0.000 0.763 2242 E HN 0.262 nan 8.360 nan 0.000 0.491 2243 L N 0.988 122.218 121.223 0.012 0.000 2.499 2243 L HA 0.051 4.391 4.340 -0.000 0.000 0.273 2243 L C 1.469 178.383 176.870 0.074 0.000 1.195 2243 L CA -0.192 54.674 54.840 0.043 0.000 0.882 2243 L CB 0.702 42.798 42.059 0.063 0.000 1.133 2243 L HN 0.130 nan 8.230 nan 0.000 0.483 2244 A N 5.458 128.328 122.820 0.083 0.000 1.933 2244 A HA 0.027 4.346 4.320 -0.000 0.000 0.218 2244 A C 0.929 178.590 177.584 0.129 0.000 1.175 2244 A CA 0.909 53.005 52.037 0.100 0.000 0.628 2244 A CB -0.257 18.802 19.000 0.098 0.000 0.814 2244 A HN 0.590 nan 8.150 nan 0.000 0.444 2245 L N 1.287 122.592 121.223 0.136 0.000 2.262 2245 L HA 0.305 4.645 4.340 -0.000 0.000 0.288 2245 L C -0.358 176.611 176.870 0.166 0.000 1.035 2245 L CA -0.682 54.253 54.840 0.159 0.000 0.820 2245 L CB 1.060 43.225 42.059 0.178 0.000 1.204 2245 L HN 0.313 nan 8.230 nan 0.000 0.424 2246 Q N 2.337 122.243 119.800 0.177 0.000 2.169 2246 Q HA 0.327 4.667 4.340 -0.000 0.000 0.234 2246 Q C 0.155 176.244 176.000 0.149 0.000 0.980 2246 Q CA -0.680 55.239 55.803 0.192 0.000 0.941 2246 Q CB 1.290 30.205 28.738 0.295 0.000 1.199 2246 Q HN 0.381 nan 8.270 nan 0.000 0.496 2247 K N -1.277 119.196 120.400 0.121 0.000 3.088 2247 K HA -0.209 4.111 4.320 -0.000 0.000 0.273 2247 K C -0.341 176.402 176.600 0.238 0.000 1.111 2247 K CA 0.582 56.939 56.287 0.118 0.000 0.803 2247 K CB -1.956 30.533 32.500 -0.019 0.000 1.226 2247 K HN 0.680 nan 8.250 nan 0.000 0.485 2248 A N 1.038 123.946 122.820 0.148 0.000 2.545 2248 A HA 0.489 4.809 4.320 -0.000 0.000 0.253 2248 A C 0.965 178.468 177.584 -0.135 0.000 1.074 2248 A CA 1.029 53.096 52.037 0.050 0.000 0.760 2248 A CB 0.318 19.239 19.000 -0.131 0.000 1.005 2248 A HN 0.641 nan 8.150 nan 0.000 0.506 2249 G N 0.461 109.143 108.800 -0.196 0.000 2.342 2249 G HA2 0.472 4.432 3.960 -0.000 0.000 0.297 2249 G HA3 0.472 4.432 3.960 -0.000 0.000 0.297 2249 G C -0.364 174.404 174.900 -0.221 0.000 1.313 2249 G CA 0.035 44.737 45.100 -0.663 0.000 0.830 2249 G HN 1.692 nan 8.290 nan 0.000 0.506 2250 H N -1.258 117.663 119.070 -0.248 0.000 2.604 2250 H HA -0.056 4.500 4.556 -0.000 0.000 0.324 2250 H C 0.819 176.264 175.328 0.196 0.000 1.068 2250 H CA 1.498 57.622 56.048 0.127 0.000 1.091 2250 H CB -0.803 29.141 29.762 0.302 0.000 1.611 2250 H HN 1.365 nan 8.280 nan 0.000 0.387 2251 G N 0.549 109.499 108.800 0.250 0.000 2.601 2251 G HA2 0.683 4.643 3.960 -0.000 0.000 0.317 2251 G HA3 0.683 4.643 3.960 -0.000 0.000 0.317 2251 G C -0.795 174.305 174.900 0.333 0.000 1.246 2251 G CA -0.149 45.127 45.100 0.294 0.000 1.012 2251 G HN 0.778 nan 8.290 nan 0.000 0.494 2252 S N -1.314 114.545 115.700 0.264 0.000 2.564 2252 S HA 0.700 5.170 4.470 -0.000 0.000 0.274 2252 S C -1.023 173.700 174.600 0.205 0.000 1.124 2252 S CA -0.790 57.554 58.200 0.242 0.000 0.869 2252 S CB 1.642 64.890 63.200 0.081 0.000 1.105 2252 S HN 0.524 nan 8.310 nan 0.000 0.472 2253 L N 1.671 122.985 121.223 0.152 0.000 2.331 2253 L HA 0.906 5.246 4.340 -0.000 0.000 0.275 2253 L C -0.628 176.323 176.870 0.136 0.000 1.022 2253 L CA -1.031 53.831 54.840 0.037 0.000 0.812 2253 L CB 1.801 43.701 42.059 -0.266 0.000 1.257 2253 L HN 0.635 nan 8.230 nan 0.000 0.435 2254 V N 1.870 121.878 119.914 0.155 0.000 2.971 2254 V HA 0.422 4.542 4.120 -0.000 0.000 0.309 2254 V C -1.284 174.692 176.094 -0.197 0.000 1.130 2254 V CA -0.335 62.007 62.300 0.071 0.000 0.964 2254 V CB 2.381 34.337 31.823 0.222 0.000 1.029 2254 V HN 0.885 nan 8.190 nan 0.000 0.427 2255 E N 3.171 123.079 120.200 -0.487 0.000 2.171 2255 E HA 0.593 4.943 4.350 -0.000 0.000 0.271 2255 E C -0.166 176.282 176.600 -0.253 0.000 0.916 2255 E CA -0.413 55.487 56.400 -0.832 0.000 0.774 2255 E CB 1.868 30.746 29.700 -1.370 0.000 1.128 2255 E HN 0.939 nan 8.360 nan 0.000 0.403 2256 T N 1.509 116.010 114.554 -0.088 0.000 2.732 2256 T HA 0.065 4.415 4.350 -0.000 0.000 0.287 2256 T C 1.035 175.737 174.700 0.004 0.000 0.993 2256 T CA -0.217 61.937 62.100 0.090 0.000 0.966 2256 T CB 0.860 69.818 68.868 0.151 0.000 1.047 2256 T HN 0.511 nan 8.240 nan 0.000 0.527 2257 Q N 0.358 120.177 119.800 0.031 0.000 2.291 2257 Q HA 0.017 4.357 4.340 -0.000 0.000 0.206 2257 Q C 1.837 177.845 176.000 0.014 0.000 0.976 2257 Q CA 1.240 57.042 55.803 -0.002 0.000 0.875 2257 Q CB -0.213 28.522 28.738 -0.005 0.000 0.927 2257 Q HN 0.565 nan 8.270 nan 0.000 0.450 2258 N N -1.028 117.695 118.700 0.037 0.000 2.353 2258 N HA 0.090 4.830 4.740 -0.000 0.000 0.185 2258 N C 0.631 176.181 175.510 0.067 0.000 1.098 2258 N CA 0.949 54.029 53.050 0.050 0.000 0.872 2258 N CB 1.117 39.642 38.487 0.064 0.000 0.970 2258 N HN 0.365 nan 8.380 nan 0.000 0.467 2259 G N 1.152 109.981 108.800 0.048 0.000 2.141 2259 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.231 2259 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.231 2259 G C -0.344 174.656 174.900 0.167 0.000 0.984 2259 G CA -0.284 44.872 45.100 0.093 0.000 0.660 2259 G HN 0.378 nan 8.290 nan 0.000 0.525 2260 E N -0.996 119.272 120.200 0.113 0.000 2.313 2260 E HA 0.533 4.882 4.350 -0.000 0.000 0.272 2260 E C -0.430 176.236 176.600 0.110 0.000 1.038 2260 E CA -0.532 55.985 56.400 0.195 0.000 0.863 2260 E CB 0.785 30.632 29.700 0.245 0.000 1.060 2260 E HN 0.332 nan 8.360 nan 0.000 0.402 2261 W N 1.642 122.963 121.300 0.036 0.000 2.632 2261 W HA 0.416 5.075 4.660 -0.000 0.000 0.328 2261 W C -0.933 175.454 176.519 -0.221 0.000 1.044 2261 W CA -0.306 57.053 57.345 0.023 0.000 1.225 2261 W CB 0.896 30.348 29.460 -0.014 0.000 1.396 2261 W HN 0.445 nan 8.180 nan 0.000 0.499 2262 Y N 2.457 122.864 120.300 0.178 0.000 2.512 2262 Y HA 0.569 5.119 4.550 -0.000 0.000 0.348 2262 Y C -0.766 175.197 175.900 0.106 0.000 0.990 2262 Y CA -1.340 56.821 58.100 0.102 0.000 1.033 2262 Y CB 2.014 40.505 38.460 0.051 0.000 1.259 2262 Y HN 0.160 nan 8.280 nan 0.000 0.461 2263 L N 3.088 124.439 121.223 0.213 0.000 2.316 2263 L HA 0.843 5.183 4.340 -0.000 0.000 0.280 2263 L C -0.589 176.415 176.870 0.223 0.000 1.006 2263 L CA -0.454 54.493 54.840 0.178 0.000 0.836 2263 L CB 0.640 42.759 42.059 0.100 0.000 1.221 2263 L HN 0.675 nan 8.230 nan 0.000 0.418 2264 A N 4.068 126.995 122.820 0.178 0.000 2.331 2264 A HA 0.673 4.993 4.320 -0.000 0.000 0.283 2264 A C -0.822 176.853 177.584 0.151 0.000 1.142 2264 A CA 0.016 52.103 52.037 0.082 0.000 0.812 2264 A CB -0.080 18.942 19.000 0.036 0.000 1.074 2264 A HN 1.003 nan 8.150 nan 0.000 0.497 2265 H N -0.525 118.574 119.070 0.049 0.000 3.017 2265 H HA 0.628 5.184 4.556 -0.000 0.000 0.346 2265 H C -0.877 174.490 175.328 0.065 0.000 1.286 2265 H CA -1.098 54.996 56.048 0.076 0.000 1.120 2265 H CB 0.297 30.089 29.762 0.050 0.000 1.860 2265 H HN 0.716 nan 8.280 nan 0.000 0.542 2266 L N 0.396 121.747 121.223 0.213 0.000 2.439 2266 L HA 0.830 5.170 4.340 -0.000 0.000 0.259 2266 L C 0.005 177.027 176.870 0.253 0.000 1.129 2266 L CA -0.648 54.281 54.840 0.149 0.000 0.803 2266 L CB 1.047 43.214 42.059 0.180 0.000 1.161 2266 L HN 1.158 nan 8.230 nan 0.000 0.462 2267 C N -1.680 117.714 119.300 0.157 0.000 3.295 2267 C HA 0.992 5.452 4.460 -0.000 0.000 0.341 2267 C C -0.076 174.986 174.990 0.119 0.000 1.418 2267 C CA -0.049 59.075 59.018 0.177 0.000 1.240 2267 C CB 1.096 28.947 27.740 0.184 0.000 1.562 2267 C HN 1.368 nan 8.230 nan 0.000 0.457 2268 G N 0.098 108.969 108.800 0.119 0.000 2.620 2268 G HA2 0.744 4.703 3.960 -0.000 0.000 0.301 2268 G HA3 0.744 4.703 3.960 -0.000 0.000 0.301 2268 G C -1.553 173.453 174.900 0.175 0.000 1.347 2268 G CA -0.777 44.394 45.100 0.117 0.000 0.971 2268 G HN 0.876 nan 8.290 nan 0.000 0.488 2269 R N 2.307 122.946 120.500 0.232 0.000 2.402 2269 R HA 0.291 4.631 4.340 -0.000 0.000 0.290 2269 R C -2.565 173.925 176.300 0.316 0.000 1.321 2269 R CA -1.431 54.846 56.100 0.295 0.000 1.283 2269 R CB 2.195 32.745 30.300 0.416 0.000 1.111 2269 R HN 0.417 nan 8.270 nan 0.000 0.578 2270 P HA 0.089 nan 4.420 nan 0.000 0.271 2270 P C -0.491 176.844 177.300 0.059 0.000 1.216 2270 P CA -0.030 63.174 63.100 0.172 0.000 0.776 2270 P CB 1.260 33.068 31.700 0.181 0.000 0.881 2271 L N 3.191 124.457 121.223 0.071 0.000 2.334 2271 L HA 0.344 4.684 4.340 -0.000 0.000 0.272 2271 L C 1.111 178.043 176.870 0.103 0.000 1.020 2271 L CA -0.969 53.874 54.840 0.005 0.000 0.812 2271 L CB 0.895 42.953 42.059 -0.002 0.000 1.264 2271 L HN 0.468 nan 8.230 nan 0.000 0.439 2272 K N 1.935 122.374 120.400 0.065 0.000 3.035 2272 K HA -0.277 4.043 4.320 -0.000 0.000 0.262 2272 K C 0.849 177.471 176.600 0.036 0.000 1.024 2272 K CA 0.505 56.853 56.287 0.103 0.000 0.748 2272 K CB -1.633 31.009 32.500 0.236 0.000 1.247 2272 K HN 1.182 nan 8.250 nan 0.000 0.482 2273 G N 0.592 109.367 108.800 -0.043 0.000 2.454 2273 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.225 2273 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.225 2273 G C 0.509 175.260 174.900 -0.247 0.000 1.138 2273 G CA 0.923 45.943 45.100 -0.133 0.000 0.667 2273 G HN 0.514 nan 8.290 nan 0.000 0.512 2274 K N -1.254 118.925 120.400 -0.368 0.000 2.614 2274 K HA 0.441 4.760 4.320 -0.000 0.000 0.190 2274 K C -0.586 175.790 176.600 -0.373 0.000 1.255 2274 K CA -0.504 55.542 56.287 -0.402 0.000 1.099 2274 K CB 0.213 32.377 32.500 -0.559 0.000 1.023 2274 K HN 0.270 nan 8.250 nan 0.000 0.576 2275 Y N 1.289 121.651 120.300 0.103 0.000 2.434 2275 Y HA 0.311 4.861 4.550 -0.000 0.000 0.341 2275 Y C -0.133 175.843 175.900 0.125 0.000 0.965 2275 Y CA -1.329 56.825 58.100 0.091 0.000 1.205 2275 Y CB 0.903 39.388 38.460 0.043 0.000 1.121 2275 Y HN 0.098 nan 8.280 nan 0.000 0.507 2276 C N 2.896 122.343 119.300 0.245 0.000 2.145 2276 C HA 0.094 4.553 4.460 -0.000 0.000 0.374 2276 C C 1.852 176.982 174.990 0.234 0.000 1.035 2276 C CA -0.267 58.897 59.018 0.243 0.000 1.431 2276 C CB -1.683 26.166 27.740 0.180 0.000 1.789 2276 C HN 1.003 nan 8.230 nan 0.000 0.483 2277 T N -0.708 114.012 114.554 0.277 0.000 2.915 2277 T HA -0.083 4.266 4.350 -0.000 0.000 0.269 2277 T C 1.183 175.997 174.700 0.191 0.000 1.071 2277 T CA 1.141 63.378 62.100 0.228 0.000 1.132 2277 T CB -0.130 68.884 68.868 0.243 0.000 0.878 2277 T HN 0.645 nan 8.240 nan 0.000 0.479 2278 L N 0.938 122.251 121.223 0.150 0.000 2.591 2278 L HA 0.365 4.705 4.340 -0.000 0.000 0.228 2278 L C 1.763 178.680 176.870 0.077 0.000 1.133 2278 L CA 0.038 54.889 54.840 0.018 0.000 0.880 2278 L CB -1.282 40.670 42.059 -0.179 0.000 1.033 2278 L HN 0.657 nan 8.230 nan 0.000 0.450 2279 G N 1.257 110.146 108.800 0.148 0.000 2.569 2279 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.259 2279 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.259 2279 G C -0.165 174.821 174.900 0.143 0.000 1.263 2279 G CA -0.411 44.786 45.100 0.161 0.000 0.928 2279 G HN 0.342 nan 8.290 nan 0.000 0.572 2280 R N 1.067 121.667 120.500 0.167 0.000 2.312 2280 R HA 0.527 4.867 4.340 -0.000 0.000 0.311 2280 R C 0.115 176.486 176.300 0.117 0.000 1.004 2280 R CA -0.311 55.865 56.100 0.127 0.000 0.902 2280 R CB 1.212 31.580 30.300 0.114 0.000 1.073 2280 R HN 0.638 nan 8.270 nan 0.000 0.457 2281 E N 0.664 120.909 120.200 0.075 0.000 2.264 2281 E HA 0.301 4.651 4.350 -0.000 0.000 0.260 2281 E C -0.675 175.904 176.600 -0.033 0.000 0.961 2281 E CA -0.855 55.567 56.400 0.036 0.000 0.834 2281 E CB 1.875 31.581 29.700 0.010 0.000 1.230 2281 E HN 0.308 nan 8.360 nan 0.000 0.412 2282 T N 1.018 115.500 114.554 -0.121 0.000 2.799 2282 T HA 0.579 4.929 4.350 -0.000 0.000 0.286 2282 T C -0.626 173.887 174.700 -0.311 0.000 0.973 2282 T CA -0.456 61.507 62.100 -0.229 0.000 1.035 2282 T CB 1.049 69.732 68.868 -0.309 0.000 0.932 2282 T HN 0.509 nan 8.240 nan 0.000 0.469 2283 A N 3.346 125.916 122.820 -0.415 0.000 2.435 2283 A HA 0.942 5.262 4.320 -0.000 0.000 0.296 2283 A C -1.133 176.191 177.584 -0.433 0.000 1.147 2283 A CA -0.828 50.958 52.037 -0.419 0.000 0.775 2283 A CB 1.259 20.000 19.000 -0.431 0.000 1.340 2283 A HN 0.842 nan 8.150 nan 0.000 0.427 2284 I N -0.396 120.062 120.570 -0.187 0.000 2.722 2284 I HA 0.431 4.601 4.170 -0.000 0.000 0.295 2284 I C -1.426 174.783 176.117 0.155 0.000 1.161 2284 I CA -0.519 60.783 61.300 0.004 0.000 1.032 2284 I CB 2.064 40.082 38.000 0.030 0.000 1.244 2284 I HN 0.648 nan 8.210 nan 0.000 0.421 2285 Q N 5.405 125.345 119.800 0.232 0.000 2.413 2285 Q HA 0.413 4.753 4.340 -0.000 0.000 0.276 2285 Q C -1.295 174.742 176.000 0.062 0.000 1.099 2285 Q CA -0.842 55.053 55.803 0.154 0.000 0.814 2285 Q CB 2.561 31.356 28.738 0.095 0.000 1.379 2285 Q HN 0.507 nan 8.270 nan 0.000 0.436 2286 K N 0.878 121.204 120.400 -0.124 0.000 2.201 2286 K HA 0.503 4.823 4.320 -0.000 0.000 0.278 2286 K C -1.031 175.373 176.600 -0.328 0.000 1.027 2286 K CA -0.399 55.561 56.287 -0.546 0.000 0.909 2286 K CB 1.158 33.371 32.500 -0.477 0.000 1.062 2286 K HN 0.381 nan 8.250 nan 0.000 0.465 2287 V N 4.564 124.276 119.914 -0.337 0.000 2.735 2287 V HA 0.471 4.591 4.120 -0.000 0.000 0.310 2287 V C -1.455 174.479 176.094 -0.266 0.000 1.061 2287 V CA -0.819 61.319 62.300 -0.270 0.000 0.913 2287 V CB 1.993 33.646 31.823 -0.284 0.000 1.005 2287 V HN 0.901 nan 8.190 nan 0.000 0.428 2288 N N 4.238 122.779 118.700 -0.266 0.000 2.370 2288 N HA 0.421 5.160 4.740 -0.000 0.000 0.303 2288 N C -1.275 174.051 175.510 -0.307 0.000 1.103 2288 N CA -0.261 52.673 53.050 -0.193 0.000 0.848 2288 N CB 1.898 40.336 38.487 -0.082 0.000 1.235 2288 N HN 0.704 nan 8.380 nan 0.000 0.496 2289 W N 1.016 122.205 121.300 -0.185 0.000 2.272 2289 W HA 0.180 4.840 4.660 -0.000 0.000 0.318 2289 W C 1.346 177.800 176.519 -0.108 0.000 1.255 2289 W CA -0.281 56.932 57.345 -0.219 0.000 1.200 2289 W CB 0.589 29.865 29.460 -0.307 0.000 1.170 2289 W HN 0.383 nan 8.180 nan 0.000 0.549 2290 T N -1.001 113.648 114.554 0.159 0.000 2.847 2290 T HA 0.153 4.503 4.350 -0.000 0.000 0.279 2290 T C 1.010 175.783 174.700 0.122 0.000 0.984 2290 T CA -0.684 61.490 62.100 0.123 0.000 0.988 2290 T CB 1.344 70.298 68.868 0.143 0.000 1.040 2290 T HN 0.460 nan 8.240 nan 0.000 0.528 2291 E N 1.027 121.281 120.200 0.090 0.000 2.209 2291 E HA -0.129 4.220 4.350 -0.000 0.000 0.196 2291 E C 1.089 177.727 176.600 0.063 0.000 0.993 2291 E CA 1.418 57.858 56.400 0.067 0.000 0.819 2291 E CB -0.210 29.524 29.700 0.056 0.000 0.745 2291 E HN 0.868 nan 8.360 nan 0.000 0.477 2292 D N -1.262 119.193 120.400 0.092 0.000 2.427 2292 D HA 0.160 4.800 4.640 -0.000 0.000 0.224 2292 D C 0.891 177.149 176.300 -0.071 0.000 1.157 2292 D CA 0.280 54.322 54.000 0.070 0.000 0.828 2292 D CB -0.012 40.884 40.800 0.161 0.000 0.974 2292 D HN 0.086 nan 8.370 nan 0.000 0.498 2293 G N -0.330 108.443 108.800 -0.045 0.000 2.182 2293 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.248 2293 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.248 2293 G C -0.494 174.275 174.900 -0.219 0.000 1.042 2293 G CA -0.024 44.994 45.100 -0.137 0.000 0.775 2293 G HN 0.333 nan 8.290 nan 0.000 0.501 2294 W N -1.491 119.952 121.300 0.239 0.000 3.021 2294 W HA 0.789 5.449 4.660 -0.000 0.000 0.337 2294 W C 0.369 176.710 176.519 -0.297 0.000 1.171 2294 W CA -1.380 55.989 57.345 0.041 0.000 1.060 2294 W CB 1.159 30.617 29.460 -0.003 0.000 1.472 2294 W HN 0.073 nan 8.180 nan 0.000 0.594 2295 L N 1.379 122.457 121.223 -0.241 0.000 2.330 2295 L HA 0.730 5.070 4.340 -0.000 0.000 0.271 2295 L C -0.208 176.490 176.870 -0.286 0.000 1.013 2295 L CA -1.130 53.354 54.840 -0.594 0.000 0.816 2295 L CB 2.022 43.550 42.059 -0.884 0.000 1.287 2295 L HN 0.409 nan 8.230 nan 0.000 0.435 2296 R N 1.842 122.167 120.500 -0.290 0.000 2.643 2296 R HA 0.437 4.777 4.340 -0.000 0.000 0.269 2296 R C -1.100 175.078 176.300 -0.203 0.000 1.037 2296 R CA -0.800 55.183 56.100 -0.194 0.000 0.894 2296 R CB 1.534 31.758 30.300 -0.126 0.000 1.238 2296 R HN 0.386 nan 8.270 nan 0.000 0.459 2297 I N 3.765 124.222 120.570 -0.188 0.000 2.872 2297 I HA -0.118 4.052 4.170 -0.000 0.000 0.291 2297 I C 1.875 177.894 176.117 -0.163 0.000 1.216 2297 I CA 0.770 61.956 61.300 -0.190 0.000 1.424 2297 I CB 0.734 38.595 38.000 -0.233 0.000 1.351 2297 I HN 0.886 nan 8.210 nan 0.000 0.592 2298 E N 3.192 123.302 120.200 -0.149 0.000 2.219 2298 E HA -0.267 4.083 4.350 -0.000 0.000 0.198 2298 E C 0.640 177.191 176.600 -0.083 0.000 0.998 2298 E CA 1.626 57.958 56.400 -0.113 0.000 0.818 2298 E CB -0.198 29.441 29.700 -0.102 0.000 0.741 2298 E HN 0.754 nan 8.360 nan 0.000 0.477 2299 D N -0.461 119.882 120.400 -0.095 0.000 2.328 2299 D HA 0.089 4.729 4.640 -0.000 0.000 0.221 2299 D C 1.330 177.598 176.300 -0.053 0.000 1.072 2299 D CA 0.470 54.434 54.000 -0.059 0.000 0.850 2299 D CB 0.369 41.144 40.800 -0.042 0.000 0.922 2299 D HN 0.374 nan 8.370 nan 0.000 0.516 2300 G N -0.675 108.079 108.800 -0.076 0.000 2.205 2300 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.261 2300 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.261 2300 G C 0.692 175.553 174.900 -0.064 0.000 0.980 2300 G CA 0.203 45.268 45.100 -0.059 0.000 0.632 2300 G HN 0.805 nan 8.290 nan 0.000 0.533 2301 G N -0.885 107.854 108.800 -0.102 0.000 2.510 2301 G HA2 0.495 4.455 3.960 -0.000 0.000 0.280 2301 G HA3 0.495 4.455 3.960 -0.000 0.000 0.280 2301 G C 0.493 175.305 174.900 -0.145 0.000 1.386 2301 G CA 0.347 45.393 45.100 -0.091 0.000 1.047 2301 G HN 0.493 nan 8.290 nan 0.000 0.527 2302 N N -1.504 117.151 118.700 -0.074 0.000 2.170 2302 N HA 0.049 4.788 4.740 -0.000 0.000 0.222 2302 N C -0.219 175.255 175.510 -0.060 0.000 1.218 2302 N CA -0.410 52.592 53.050 -0.080 0.000 0.889 2302 N CB 0.199 38.662 38.487 -0.040 0.000 1.083 2302 N HN 0.656 nan 8.380 nan 0.000 0.520 2303 H N -0.287 118.744 119.070 -0.064 0.000 2.616 2303 H HA 0.508 5.064 4.556 -0.000 0.000 0.353 2303 H C -3.048 172.252 175.328 -0.047 0.000 1.170 2303 H CA -2.336 53.681 56.048 -0.053 0.000 1.212 2303 H CB 0.806 30.553 29.762 -0.025 0.000 1.653 2303 H HN -0.049 nan 8.280 nan 0.000 0.537 2304 P HA 0.227 nan 4.420 nan 0.000 0.279 2304 P C -0.365 177.011 177.300 0.125 0.000 1.239 2304 P CA -0.390 62.733 63.100 0.040 0.000 0.789 2304 P CB 1.546 33.312 31.700 0.110 0.000 0.933 2305 L N 3.224 124.500 121.223 0.088 0.000 2.322 2305 L HA 0.423 4.763 4.340 -0.000 0.000 0.279 2305 L C 2.155 179.089 176.870 0.108 0.000 1.036 2305 L CA -0.729 54.173 54.840 0.105 0.000 0.807 2305 L CB 1.693 43.782 42.059 0.050 0.000 1.226 2305 L HN 0.432 nan 8.230 nan 0.000 0.433 2306 R N 0.958 121.518 120.500 0.101 0.000 2.119 2306 R HA 0.052 4.392 4.340 -0.000 0.000 0.222 2306 R C -0.087 176.251 176.300 0.064 0.000 1.088 2306 R CA 0.874 57.024 56.100 0.083 0.000 0.984 2306 R CB 0.437 30.785 30.300 0.081 0.000 0.884 2306 R HN 0.645 nan 8.270 nan 0.000 0.447 2307 E N 0.483 120.719 120.200 0.061 0.000 2.176 2307 E HA 0.307 4.657 4.350 -0.000 0.000 0.267 2307 E C -1.525 175.107 176.600 0.053 0.000 0.893 2307 E CA -0.632 55.798 56.400 0.049 0.000 0.761 2307 E CB 2.719 32.444 29.700 0.042 0.000 1.133 2307 E HN -0.088 nan 8.360 nan 0.000 0.409 2308 V N 1.924 121.873 119.914 0.059 0.000 2.680 2308 V HA 0.271 4.391 4.120 -0.000 0.000 0.309 2308 V C 0.203 176.350 176.094 0.089 0.000 1.052 2308 V CA -1.024 61.323 62.300 0.078 0.000 0.908 2308 V CB 2.073 33.967 31.823 0.119 0.000 1.001 2308 V HN 0.861 nan 8.190 nan 0.000 0.431 2309 T N 1.922 116.530 114.554 0.089 0.000 2.853 2309 T HA 0.540 4.890 4.350 -0.000 0.000 0.298 2309 T C 0.213 175.015 174.700 0.170 0.000 0.978 2309 T CA 0.088 62.244 62.100 0.093 0.000 1.152 2309 T CB 0.792 69.700 68.868 0.066 0.000 0.914 2309 T HN 1.140 nan 8.240 nan 0.000 0.539 2310 A N 5.788 128.670 122.820 0.103 0.000 2.332 2310 A HA 0.638 4.958 4.320 -0.000 0.000 0.258 2310 A C -1.584 176.062 177.584 0.102 0.000 1.087 2310 A CA -1.672 50.402 52.037 0.063 0.000 0.802 2310 A CB -0.256 18.730 19.000 -0.022 0.000 1.042 2310 A HN 0.846 nan 8.150 nan 0.000 0.489 2311 P HA 0.106 nan 4.420 nan 0.000 0.274 2311 P C -0.839 176.471 177.300 0.017 0.000 1.237 2311 P CA -0.163 62.975 63.100 0.064 0.000 0.793 2311 P CB 0.561 32.198 31.700 -0.105 0.000 0.977 2312 D N 1.539 121.965 120.400 0.043 0.000 2.600 2312 D HA 0.250 4.890 4.640 -0.000 0.000 0.226 2312 D C -0.588 175.715 176.300 0.005 0.000 1.119 2312 D CA 0.251 54.266 54.000 0.024 0.000 1.051 2312 D CB -1.126 39.696 40.800 0.036 0.000 1.106 2312 D HN 0.210 nan 8.370 nan 0.000 0.491 2313 L N 2.521 123.732 121.223 -0.020 0.000 2.393 2313 L HA 0.543 4.883 4.340 -0.000 0.000 0.260 2313 L C -1.967 174.881 176.870 -0.036 0.000 1.002 2313 L CA -2.100 52.722 54.840 -0.030 0.000 0.818 2313 L CB 2.141 44.167 42.059 -0.055 0.000 1.369 2313 L HN 0.126 nan 8.230 nan 0.000 0.412 2314 P HA 0.035 nan 4.420 nan 0.000 0.268 2314 P C -0.726 176.551 177.300 -0.038 0.000 1.204 2314 P CA -0.178 62.905 63.100 -0.029 0.000 0.768 2314 P CB 0.845 32.533 31.700 -0.020 0.000 0.842 2315 E N 1.631 121.805 120.200 -0.044 0.000 2.414 2315 E HA -0.067 4.283 4.350 -0.000 0.000 0.263 2315 E C -0.594 175.936 176.600 -0.116 0.000 1.000 2315 E CA 0.032 56.398 56.400 -0.056 0.000 0.914 2315 E CB 0.136 29.807 29.700 -0.049 0.000 0.948 2315 E HN 0.506 nan 8.360 nan 0.000 0.444 2316 H N 5.316 124.199 119.070 -0.312 0.000 2.429 2316 H HA 0.308 4.864 4.556 -0.000 0.000 0.231 2316 H C -2.478 172.340 175.328 -0.850 0.000 1.416 2316 H CA -1.988 53.767 56.048 -0.488 0.000 1.443 2316 H CB 0.475 29.973 29.762 -0.439 0.000 1.591 2316 H HN 0.386 nan 8.280 nan 0.000 0.507 2317 P HA 0.114 nan 4.420 nan 0.000 0.274 2317 P C -0.808 175.966 177.300 -0.876 0.000 1.246 2317 P CA -0.102 62.330 63.100 -1.113 0.000 0.795 2317 P CB 1.417 32.559 31.700 -0.931 0.000 1.006 2318 F N -1.329 118.519 119.950 -0.170 0.000 2.575 2318 F HA 0.349 4.876 4.527 -0.000 0.000 0.330 2318 F C 1.169 176.952 175.800 -0.028 0.000 1.056 2318 F CA -1.089 56.877 58.000 -0.058 0.000 0.964 2318 F CB 0.830 39.861 39.000 0.051 0.000 1.258 2318 F HN 0.302 nan 8.300 nan 0.000 0.484 2319 E N 1.923 122.254 120.200 0.218 0.000 2.376 2319 E HA 0.061 4.411 4.350 -0.000 0.000 0.266 2319 E C -0.658 176.033 176.600 0.152 0.000 1.009 2319 E CA -0.345 56.133 56.400 0.130 0.000 0.902 2319 E CB 0.569 30.337 29.700 0.114 0.000 0.972 2319 E HN 0.431 nan 8.360 nan 0.000 0.439 2320 K N 3.584 124.051 120.400 0.111 0.000 2.382 2320 K HA -0.009 4.311 4.320 -0.000 0.000 0.275 2320 K C 0.204 176.869 176.600 0.108 0.000 1.009 2320 K CA -0.273 56.082 56.287 0.113 0.000 0.970 2320 K CB 0.470 33.017 32.500 0.078 0.000 0.934 2320 K HN 0.528 nan 8.250 nan 0.000 0.479 2321 E N 3.559 123.833 120.200 0.124 0.000 2.392 2321 E HA 0.133 4.483 4.350 -0.000 0.000 0.264 2321 E C -2.338 174.287 176.600 0.042 0.000 1.024 2321 E CA -1.760 54.707 56.400 0.112 0.000 0.903 2321 E CB -0.326 29.459 29.700 0.143 0.000 0.963 2321 E HN 0.233 nan 8.360 nan 0.000 0.432 2322 P HA 0.037 nan 4.420 nan 0.000 0.269 2322 P C 0.416 177.688 177.300 -0.047 0.000 1.209 2322 P CA -0.106 62.972 63.100 -0.037 0.000 0.776 2322 P CB 0.570 32.229 31.700 -0.069 0.000 0.876 2323 E N 1.583 121.768 120.200 -0.026 0.000 2.216 2323 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 2323 E C 0.115 176.723 176.600 0.014 0.000 0.988 2323 E CA 0.351 56.747 56.400 -0.006 0.000 0.834 2323 E CB 0.148 29.832 29.700 -0.026 0.000 0.772 2323 E HN 0.190 nan 8.360 nan 0.000 0.479 2324 L N 1.524 122.733 121.223 -0.022 0.000 2.346 2324 L HA 0.392 4.732 4.340 -0.000 0.000 0.274 2324 L C -1.465 175.367 176.870 -0.063 0.000 1.007 2324 L CA -0.388 54.445 54.840 -0.011 0.000 0.818 2324 L CB 1.821 43.842 42.059 -0.064 0.000 1.284 2324 L HN -0.068 nan 8.230 nan 0.000 0.424 2325 D N 2.530 122.896 120.400 -0.056 0.000 2.440 2325 D HA 0.163 4.803 4.640 -0.000 0.000 0.239 2325 D C -0.080 175.985 176.300 -0.392 0.000 1.084 2325 D CA -0.121 53.744 54.000 -0.224 0.000 0.843 2325 D CB 1.525 42.206 40.800 -0.197 0.000 1.097 2325 D HN 0.583 nan 8.370 nan 0.000 0.531 2326 D N 2.549 122.811 120.400 -0.230 0.000 2.339 2326 D HA 0.012 4.652 4.640 -0.000 0.000 0.217 2326 D C 0.139 176.433 176.300 -0.011 0.000 1.050 2326 D CA -0.132 53.804 54.000 -0.107 0.000 0.856 2326 D CB -0.271 40.511 40.800 -0.031 0.000 0.922 2326 D HN 0.327 nan 8.370 nan 0.000 0.518 2327 F N -0.062 119.966 119.950 0.131 0.000 3.074 2327 F HA -0.235 4.292 4.527 -0.000 0.000 0.287 2327 F C 0.993 176.837 175.800 0.074 0.000 0.932 2327 F CA 0.341 58.401 58.000 0.099 0.000 0.995 2327 F CB -1.889 37.159 39.000 0.079 0.000 0.966 2327 F HN 0.159 nan 8.300 nan 0.000 0.721 2328 D N -0.403 120.111 120.400 0.190 0.000 2.327 2328 D HA 0.260 4.900 4.640 -0.000 0.000 0.205 2328 D C 1.508 177.888 176.300 0.133 0.000 0.989 2328 D CA 0.973 55.057 54.000 0.140 0.000 0.873 2328 D CB 0.185 41.040 40.800 0.092 0.000 0.955 2328 D HN 0.415 nan 8.370 nan 0.000 0.515 2329 A N 2.233 125.142 122.820 0.149 0.000 2.371 2329 A HA 0.298 4.618 4.320 -0.000 0.000 0.257 2329 A C -1.257 176.404 177.584 0.128 0.000 1.089 2329 A CA -0.950 51.165 52.037 0.131 0.000 0.794 2329 A CB 0.689 19.774 19.000 0.142 0.000 1.029 2329 A HN -0.088 nan 8.150 nan 0.000 0.488 2330 P HA -0.057 nan 4.420 nan 0.000 0.226 2330 P C -0.008 177.332 177.300 0.065 0.000 1.153 2330 P CA 1.035 64.177 63.100 0.071 0.000 0.777 2330 P CB 0.333 32.065 31.700 0.054 0.000 0.794 2331 Q N -0.419 119.434 119.800 0.089 0.000 2.309 2331 Q HA 0.443 4.783 4.340 -0.000 0.000 0.264 2331 Q C -0.229 175.856 176.000 0.141 0.000 1.008 2331 Q CA -0.714 55.142 55.803 0.089 0.000 0.853 2331 Q CB 1.450 30.239 28.738 0.084 0.000 1.314 2331 Q HN 0.035 nan 8.270 nan 0.000 0.448 2332 L N 2.234 123.540 121.223 0.138 0.000 2.490 2332 L HA 0.071 4.411 4.340 -0.000 0.000 0.274 2332 L C 0.392 177.437 176.870 0.291 0.000 1.201 2332 L CA -0.119 54.868 54.840 0.245 0.000 0.869 2332 L CB 0.174 42.348 42.059 0.192 0.000 1.123 2332 L HN 0.712 nan 8.230 nan 0.000 0.484 2333 H N 1.485 120.749 119.070 0.323 0.000 2.948 2333 H HA -0.086 4.470 4.556 -0.000 0.000 0.351 2333 H C 1.151 176.414 175.328 -0.108 0.000 1.079 2333 H CA 0.357 56.429 56.048 0.040 0.000 1.407 2333 H CB 0.641 30.350 29.762 -0.089 0.000 1.373 2333 H HN 0.621 nan 8.280 nan 0.000 0.605 2334 H N 1.244 119.881 119.070 -0.722 0.000 2.518 2334 H HA -0.086 4.470 4.556 -0.000 0.000 0.289 2334 H C 1.225 176.109 175.328 -0.740 0.000 1.051 2334 H CA 1.381 57.011 56.048 -0.697 0.000 1.280 2334 H CB 0.071 29.300 29.762 -0.889 0.000 1.380 2334 H HN 0.581 nan 8.280 nan 0.000 0.566 2335 Q N -0.027 119.292 119.800 -0.802 0.000 2.378 2335 Q HA -0.035 4.305 4.340 -0.000 0.000 0.205 2335 Q C -0.171 175.545 176.000 -0.473 0.000 0.954 2335 Q CA 0.275 55.744 55.803 -0.556 0.000 0.901 2335 Q CB -0.047 28.354 28.738 -0.561 0.000 0.981 2335 Q HN 0.610 nan 8.270 nan 0.000 0.483 2336 W N 2.055 123.297 121.300 -0.098 0.000 2.261 2336 W HA 0.176 4.836 4.660 -0.000 0.000 0.323 2336 W C 0.387 176.920 176.519 0.023 0.000 1.243 2336 W CA -0.675 56.646 57.345 -0.040 0.000 1.210 2336 W CB 0.580 30.036 29.460 -0.006 0.000 1.149 2336 W HN -0.107 nan 8.180 nan 0.000 0.562 2337 N N 0.570 119.512 118.700 0.404 0.000 2.405 2337 N HA 0.494 5.234 4.740 -0.000 0.000 0.285 2337 N C -0.582 175.203 175.510 0.458 0.000 1.262 2337 N CA -0.709 52.585 53.050 0.407 0.000 0.773 2337 N CB 1.870 40.635 38.487 0.463 0.000 1.490 2337 N HN 0.323 nan 8.380 nan 0.000 0.486 2338 T N -2.318 112.509 114.554 0.455 0.000 2.926 2338 T HA 0.630 4.980 4.350 -0.000 0.000 0.289 2338 T C -0.257 174.555 174.700 0.187 0.000 1.054 2338 T CA -0.804 61.494 62.100 0.330 0.000 1.015 2338 T CB 0.834 69.900 68.868 0.330 0.000 1.167 2338 T HN 0.214 nan 8.240 nan 0.000 0.526 2339 L N 2.408 123.555 121.223 -0.128 0.000 2.260 2339 L HA 0.449 4.789 4.340 -0.000 0.000 0.289 2339 L C 1.293 178.019 176.870 -0.240 0.000 1.057 2339 L CA -0.535 54.051 54.840 -0.424 0.000 0.811 2339 L CB 0.396 42.082 42.059 -0.623 0.000 1.184 2339 L HN 0.859 nan 8.230 nan 0.000 0.429 2340 R N 1.331 121.740 120.500 -0.152 0.000 2.299 2340 R HA -0.275 4.065 4.340 -0.000 0.000 0.153 2340 R C 0.337 176.553 176.300 -0.141 0.000 0.885 2340 R CA 2.208 58.260 56.100 -0.081 0.000 1.883 2340 R CB -1.462 28.740 30.300 -0.165 0.000 0.864 2340 R HN 0.697 nan 8.270 nan 0.000 0.666 2341 I N -0.046 120.382 120.570 -0.237 0.000 2.707 2341 I HA 0.596 4.766 4.170 -0.000 0.000 0.309 2341 I C -2.398 173.397 176.117 -0.537 0.000 1.001 2341 I CA -2.776 58.281 61.300 -0.406 0.000 1.129 2341 I CB 1.806 39.696 38.000 -0.183 0.000 1.308 2341 I HN -0.191 nan 8.210 nan 0.000 0.466 2342 P HA 0.156 nan 4.420 nan 0.000 0.274 2342 P C -0.448 176.815 177.300 -0.062 0.000 1.231 2342 P CA -0.174 62.632 63.100 -0.489 0.000 0.790 2342 P CB 1.003 32.461 31.700 -0.405 0.000 0.951 2343 A N 2.108 124.879 122.820 -0.082 0.000 2.498 2343 A HA 0.203 4.523 4.320 -0.000 0.000 0.239 2343 A C 0.096 177.376 177.584 -0.507 0.000 1.068 2343 A CA 0.375 52.124 52.037 -0.481 0.000 0.766 2343 A CB -0.625 18.108 19.000 -0.444 0.000 1.003 2343 A HN 0.629 nan 8.150 nan 0.000 0.497 2344 D N 1.294 121.141 120.400 -0.922 0.000 2.738 2344 D HA 0.541 5.181 4.640 -0.000 0.000 0.237 2344 D C -2.164 173.779 176.300 -0.595 0.000 1.123 2344 D CA -1.654 52.032 54.000 -0.523 0.000 0.856 2344 D CB 1.953 42.633 40.800 -0.201 0.000 1.552 2344 D HN 0.107 nan 8.370 nan 0.000 0.480 2345 P HA -0.187 nan 4.420 nan 0.000 0.218 2345 P C 1.096 178.293 177.300 -0.172 0.000 1.146 2345 P CA 1.257 64.223 63.100 -0.224 0.000 0.820 2345 P CB 0.061 31.686 31.700 -0.126 0.000 0.778 2346 S N -1.620 114.010 115.700 -0.117 0.000 2.442 2346 S HA -0.142 4.327 4.470 -0.000 0.000 0.236 2346 S C 1.488 176.152 174.600 0.107 0.000 1.007 2346 S CA 0.982 59.191 58.200 0.014 0.000 0.965 2346 S CB -1.264 61.993 63.200 0.094 0.000 0.773 2346 S HN 0.494 nan 8.310 nan 0.000 0.504 2347 W N -0.925 120.343 121.300 -0.054 0.000 2.355 2347 W HA 0.558 5.218 4.660 -0.000 0.000 0.303 2347 W C -0.269 176.208 176.519 -0.070 0.000 0.939 2347 W CA -0.495 56.814 57.345 -0.059 0.000 1.377 2347 W CB -0.222 29.198 29.460 -0.067 0.000 1.048 2347 W HN 0.321 nan 8.180 nan 0.000 0.542 2348 C N 3.189 122.184 119.300 -0.509 0.000 2.571 2348 C HA 0.698 5.158 4.460 -0.000 0.000 0.343 2348 C C -0.539 174.228 174.990 -0.373 0.000 1.082 2348 C CA -0.065 58.647 59.018 -0.511 0.000 1.339 2348 C CB 0.405 27.540 27.740 -1.008 0.000 1.893 2348 C HN 0.190 nan 8.230 nan 0.000 0.445 2349 S N 4.393 119.960 115.700 -0.221 0.000 2.538 2349 S HA 0.700 5.170 4.470 -0.000 0.000 0.288 2349 S C -0.044 174.485 174.600 -0.118 0.000 1.108 2349 S CA -0.542 57.564 58.200 -0.157 0.000 0.971 2349 S CB 1.357 64.494 63.200 -0.105 0.000 1.041 2349 S HN 0.796 nan 8.310 nan 0.000 0.483 2350 L N 3.497 124.671 121.223 -0.082 0.000 2.766 2350 L HA 0.435 4.775 4.340 -0.000 0.000 0.242 2350 L C 1.576 178.457 176.870 0.017 0.000 1.136 2350 L CA 0.211 55.035 54.840 -0.027 0.000 0.933 2350 L CB 0.196 42.255 42.059 0.000 0.000 1.241 2350 L HN 0.673 nan 8.230 nan 0.000 0.522 2351 E N -0.325 119.873 120.200 -0.004 0.000 2.447 2351 E HA -0.065 4.285 4.350 -0.000 0.000 0.204 2351 E C 1.362 177.966 176.600 0.006 0.000 0.977 2351 E CA -0.026 56.381 56.400 0.011 0.000 0.950 2351 E CB 0.607 30.308 29.700 0.001 0.000 0.975 2351 E HN 0.344 nan 8.360 nan 0.000 0.496 2352 E N 1.474 121.669 120.200 -0.008 0.000 2.106 2352 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 2352 E C 0.900 177.495 176.600 -0.008 0.000 0.984 2352 E CA 0.693 57.085 56.400 -0.013 0.000 0.806 2352 E CB 0.387 30.072 29.700 -0.025 0.000 0.750 2352 E HN -0.115 nan 8.360 nan 0.000 0.458 2353 R N 0.649 121.154 120.500 0.007 0.000 2.721 2353 R HA 0.257 4.597 4.340 -0.000 0.000 0.272 2353 R C -2.805 173.566 176.300 0.117 0.000 1.721 2353 R CA -2.013 54.091 56.100 0.007 0.000 1.325 2353 R CB 1.208 31.456 30.300 -0.087 0.000 1.271 2353 R HN -0.098 nan 8.270 nan 0.000 0.556 2354 P HA -0.021 nan 4.420 nan 0.000 0.264 2354 P C 0.542 178.022 177.300 0.301 0.000 1.179 2354 P CA 1.638 64.838 63.100 0.167 0.000 0.763 2354 P CB 0.707 32.477 31.700 0.116 0.000 0.806 2355 G N 0.735 109.675 108.800 0.234 0.000 2.179 2355 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.260 2355 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.260 2355 G C -0.170 174.730 174.900 0.000 0.000 0.977 2355 G CA 0.031 45.222 45.100 0.152 0.000 0.641 2355 G HN 0.716 nan 8.290 nan 0.000 0.533 2356 H N -1.709 117.469 119.070 0.179 0.000 2.894 2356 H HA 0.624 5.180 4.556 -0.000 0.000 0.367 2356 H C -0.584 174.725 175.328 -0.031 0.000 1.144 2356 H CA -0.858 55.280 56.048 0.150 0.000 1.180 2356 H CB 1.668 31.483 29.762 0.088 0.000 1.758 2356 H HN 0.294 nan 8.280 nan 0.000 0.541 2357 L N 2.304 123.419 121.223 -0.179 0.000 2.268 2357 L HA 0.384 4.724 4.340 -0.000 0.000 0.289 2357 L C -0.006 176.790 176.870 -0.123 0.000 1.064 2357 L CA -0.234 54.323 54.840 -0.471 0.000 0.824 2357 L CB 0.204 41.484 42.059 -1.298 0.000 1.202 2357 L HN 0.603 nan 8.230 nan 0.000 0.433 2358 R N 5.842 126.298 120.500 -0.073 0.000 2.207 2358 R HA 0.586 4.926 4.340 -0.000 0.000 0.334 2358 R C -1.567 174.732 176.300 -0.001 0.000 1.013 2358 R CA -0.459 55.641 56.100 -0.001 0.000 0.858 2358 R CB 0.486 30.779 30.300 -0.011 0.000 1.094 2358 R HN 0.755 nan 8.270 nan 0.000 0.457 2359 L N 5.032 126.308 121.223 0.088 0.000 2.322 2359 L HA 0.559 4.899 4.340 -0.000 0.000 0.281 2359 L C 0.104 177.057 176.870 0.138 0.000 1.014 2359 L CA -0.958 53.958 54.840 0.127 0.000 0.815 2359 L CB 2.009 44.168 42.059 0.167 0.000 1.247 2359 L HN 0.569 nan 8.230 nan 0.000 0.421 2360 R N 1.362 121.963 120.500 0.169 0.000 2.294 2360 R HA 0.377 4.717 4.340 -0.000 0.000 0.319 2360 R C 0.179 176.538 176.300 0.099 0.000 0.984 2360 R CA -0.656 55.518 56.100 0.124 0.000 0.861 2360 R CB 1.741 32.110 30.300 0.116 0.000 1.104 2360 R HN 0.815 nan 8.270 nan 0.000 0.451 2361 G N 3.438 112.273 108.800 0.059 0.000 2.265 2361 G HA2 0.047 4.007 3.960 -0.000 0.000 0.240 2361 G HA3 0.047 4.007 3.960 -0.000 0.000 0.240 2361 G C 0.089 174.968 174.900 -0.035 0.000 1.270 2361 G CA 0.141 45.252 45.100 0.018 0.000 0.901 2361 G HN 0.487 nan 8.290 nan 0.000 0.507 2362 M N 0.869 120.407 119.600 -0.103 0.000 2.324 2362 M HA 0.323 4.803 4.480 -0.000 0.000 0.231 2362 M C 0.413 176.633 176.300 -0.134 0.000 1.206 2362 M CA -0.594 54.613 55.300 -0.154 0.000 1.788 2362 M CB 0.389 32.808 32.600 -0.302 0.000 1.289 2362 M HN 0.439 nan 8.290 nan 0.000 0.890 2363 E N 1.314 121.410 120.200 -0.174 0.000 2.391 2363 E HA 0.161 4.511 4.350 -0.000 0.000 0.255 2363 E C -0.233 176.292 176.600 -0.125 0.000 1.187 2363 E CA -0.322 55.999 56.400 -0.131 0.000 0.941 2363 E CB 0.655 30.276 29.700 -0.132 0.000 1.010 2363 E HN 0.481 nan 8.360 nan 0.000 0.458 2364 S N 0.531 116.183 115.700 -0.081 0.000 2.587 2364 S HA 0.006 4.476 4.470 -0.000 0.000 0.260 2364 S C 1.014 175.548 174.600 -0.110 0.000 1.353 2364 S CA -0.426 57.734 58.200 -0.068 0.000 0.995 2364 S CB 0.307 63.499 63.200 -0.013 0.000 0.912 2364 S HN 0.511 nan 8.310 nan 0.000 0.568 2365 L N 0.817 121.962 121.223 -0.131 0.000 2.622 2365 L HA 0.015 4.355 4.340 -0.000 0.000 0.233 2365 L C 2.239 179.114 176.870 0.008 0.000 1.156 2365 L CA 1.075 55.799 54.840 -0.194 0.000 0.866 2365 L CB -0.954 40.814 42.059 -0.484 0.000 0.980 2365 L HN 1.014 nan 8.230 nan 0.000 0.448 2366 T N -5.703 108.887 114.554 0.060 0.000 3.069 2366 T HA 0.077 4.426 4.350 -0.000 0.000 0.252 2366 T C 0.753 175.487 174.700 0.056 0.000 1.053 2366 T CA -0.232 61.935 62.100 0.112 0.000 0.964 2366 T CB 0.280 69.221 68.868 0.121 0.000 1.005 2366 T HN 0.071 nan 8.240 nan 0.000 0.532 2367 S N 0.234 115.940 115.700 0.009 0.000 2.525 2367 S HA 0.452 4.922 4.470 -0.000 0.000 0.278 2367 S C 0.628 175.219 174.600 -0.016 0.000 1.234 2367 S CA -0.672 57.534 58.200 0.010 0.000 1.058 2367 S CB 1.260 64.447 63.200 -0.021 0.000 0.983 2367 S HN 0.155 nan 8.310 nan 0.000 0.495 2368 V N 5.082 125.005 119.914 0.016 0.000 3.342 2368 V HA 0.189 4.309 4.120 -0.000 0.000 0.322 2368 V C 0.450 176.380 176.094 -0.273 0.000 1.370 2368 V CA 0.465 62.698 62.300 -0.112 0.000 1.170 2368 V CB -1.172 30.587 31.823 -0.107 0.000 1.101 2368 V HN 0.874 nan 8.190 nan 0.000 0.442 2369 H N -0.606 118.387 119.070 -0.129 0.000 2.570 2369 H HA 0.354 4.909 4.556 -0.000 0.000 0.268 2369 H C 0.723 175.929 175.328 -0.204 0.000 1.175 2369 H CA 0.662 56.625 56.048 -0.141 0.000 1.686 2369 H CB 0.344 30.035 29.762 -0.118 0.000 1.456 2369 H HN 0.280 nan 8.280 nan 0.000 0.592 2370 S N 1.544 117.186 115.700 -0.096 0.000 2.622 2370 S HA 0.340 4.809 4.470 -0.000 0.000 0.283 2370 S C -0.849 173.510 174.600 -0.402 0.000 1.197 2370 S CA -0.700 57.323 58.200 -0.295 0.000 1.146 2370 S CB 1.093 64.121 63.200 -0.288 0.000 1.007 2370 S HN 0.248 nan 8.310 nan 0.000 0.478 2371 Q N 1.271 120.787 119.800 -0.474 0.000 2.282 2371 Q HA 0.398 4.738 4.340 -0.000 0.000 0.260 2371 Q C -0.570 175.029 176.000 -0.668 0.000 0.964 2371 Q CA -0.523 54.995 55.803 -0.475 0.000 0.880 2371 Q CB 1.655 30.150 28.738 -0.405 0.000 1.286 2371 Q HN 0.436 nan 8.270 nan 0.000 0.445 2372 S N 3.125 118.497 115.700 -0.547 0.000 3.869 2372 S HA 0.290 4.760 4.470 -0.000 0.000 0.241 2372 S C -0.571 173.922 174.600 -0.178 0.000 1.363 2372 S CA -0.245 57.706 58.200 -0.415 0.000 0.894 2372 S CB -0.417 62.705 63.200 -0.131 0.000 1.519 2372 S HN 0.396 nan 8.310 nan 0.000 0.470 2373 L N 3.272 124.393 121.223 -0.170 0.000 2.410 2373 L HA 0.706 5.046 4.340 -0.000 0.000 0.270 2373 L C -1.471 175.378 176.870 -0.035 0.000 0.983 2373 L CA -0.577 54.163 54.840 -0.168 0.000 0.822 2373 L CB 1.558 43.413 42.059 -0.340 0.000 1.285 2373 L HN 0.177 nan 8.230 nan 0.000 0.409 2374 V N 4.592 124.441 119.914 -0.109 0.000 2.482 2374 V HA 0.918 5.038 4.120 -0.000 0.000 0.295 2374 V C -0.201 175.849 176.094 -0.073 0.000 1.026 2374 V CA -0.054 62.191 62.300 -0.092 0.000 0.856 2374 V CB 1.232 32.843 31.823 -0.354 0.000 1.001 2374 V HN 0.924 nan 8.190 nan 0.000 0.424 2375 A N 5.336 128.309 122.820 0.255 0.000 2.569 2375 A HA 1.064 5.384 4.320 -0.000 0.000 0.290 2375 A C -0.800 177.044 177.584 0.434 0.000 1.136 2375 A CA -0.937 51.320 52.037 0.367 0.000 0.710 2375 A CB 2.273 21.440 19.000 0.278 0.000 1.303 2375 A HN 0.990 nan 8.150 nan 0.000 0.413 2376 R N -0.174 120.393 120.500 0.112 0.000 2.888 2376 R HA 0.759 5.099 4.340 -0.000 0.000 0.266 2376 R C -0.887 174.988 176.300 -0.708 0.000 1.020 2376 R CA -0.863 55.028 56.100 -0.347 0.000 0.963 2376 R CB 0.903 30.734 30.300 -0.782 0.000 1.197 2376 R HN 0.604 nan 8.270 nan 0.000 0.481 2377 R N 1.059 120.941 120.500 -1.030 0.000 2.537 2377 R HA 0.031 4.371 4.340 -0.000 0.000 0.280 2377 R C -0.336 175.541 176.300 -0.705 0.000 1.058 2377 R CA -0.257 55.139 56.100 -1.174 0.000 1.057 2377 R CB 0.573 30.336 30.300 -0.895 0.000 0.973 2377 R HN 0.589 nan 8.270 nan 0.000 0.438 2378 Q N 2.389 121.895 119.800 -0.490 0.000 2.288 2378 Q HA -0.013 4.327 4.340 -0.000 0.000 0.258 2378 Q C -0.291 175.611 176.000 -0.163 0.000 0.957 2378 Q CA 0.209 55.887 55.803 -0.207 0.000 0.919 2378 Q CB 0.849 29.554 28.738 -0.054 0.000 1.185 2378 Q HN 0.574 nan 8.270 nan 0.000 0.408 2379 Q N 1.852 121.643 119.800 -0.014 0.000 2.135 2379 Q HA 0.243 4.583 4.340 -0.000 0.000 0.222 2379 Q C -0.845 175.136 176.000 -0.032 0.000 0.808 2379 Q CA -0.161 55.626 55.803 -0.027 0.000 1.049 2379 Q CB 1.446 30.190 28.738 0.011 0.000 1.168 2379 Q HN 0.484 nan 8.270 nan 0.000 0.483 2380 S N -1.216 114.457 115.700 -0.045 0.000 2.547 2380 S HA 0.393 4.863 4.470 -0.000 0.000 0.270 2380 S C -0.605 173.924 174.600 -0.120 0.000 1.150 2380 S CA -0.603 57.546 58.200 -0.085 0.000 0.850 2380 S CB 0.530 63.763 63.200 0.054 0.000 1.118 2380 S HN 0.251 nan 8.310 nan 0.000 0.461 2381 F N 1.304 121.278 119.950 0.039 0.000 2.558 2381 F HA 0.170 4.697 4.527 -0.000 0.000 0.298 2381 F C 0.691 176.300 175.800 -0.318 0.000 1.119 2381 F CA 0.476 58.398 58.000 -0.130 0.000 1.451 2381 F CB 0.170 39.050 39.000 -0.200 0.000 1.091 2381 F HN 0.543 nan 8.300 nan 0.000 0.563 2382 H N -0.792 118.399 119.070 0.202 0.000 2.762 2382 H HA 0.467 5.022 4.556 -0.000 0.000 0.310 2382 H C -0.465 174.845 175.328 -0.031 0.000 1.004 2382 H CA -1.306 54.805 56.048 0.104 0.000 1.267 2382 H CB 0.921 30.812 29.762 0.214 0.000 1.437 2382 H HN 0.099 nan 8.280 nan 0.000 0.498 2383 C N 1.189 120.460 119.300 -0.047 0.000 3.318 2383 C HA 0.765 5.224 4.460 -0.000 0.000 0.322 2383 C C -0.857 174.050 174.990 -0.137 0.000 1.398 2383 C CA -0.978 57.967 59.018 -0.122 0.000 1.339 2383 C CB 1.921 29.594 27.740 -0.111 0.000 1.668 2383 C HN 0.868 nan 8.230 nan 0.000 0.462 2384 E N 0.610 120.711 120.200 -0.165 0.000 2.272 2384 E HA 0.747 5.096 4.350 -0.000 0.000 0.269 2384 E C -1.781 174.782 176.600 -0.062 0.000 0.877 2384 E CA -0.486 55.845 56.400 -0.116 0.000 0.755 2384 E CB 2.289 31.896 29.700 -0.154 0.000 1.192 2384 E HN 0.698 nan 8.360 nan 0.000 0.422 2385 V N 3.605 123.516 119.914 -0.005 0.000 2.656 2385 V HA 0.499 4.618 4.120 -0.000 0.000 0.307 2385 V C -0.778 175.240 176.094 -0.127 0.000 1.051 2385 V CA -0.543 61.753 62.300 -0.006 0.000 0.893 2385 V CB 1.925 33.871 31.823 0.205 0.000 0.999 2385 V HN 0.778 nan 8.190 nan 0.000 0.426 2386 E N 2.262 122.272 120.200 -0.316 0.000 2.352 2386 E HA 0.661 5.011 4.350 -0.000 0.000 0.280 2386 E C -1.661 174.784 176.600 -0.258 0.000 0.930 2386 E CA -0.364 55.957 56.400 -0.131 0.000 0.765 2386 E CB 2.683 32.429 29.700 0.077 0.000 1.219 2386 E HN 0.657 nan 8.360 nan 0.000 0.434 2387 T N 1.955 116.472 114.554 -0.061 0.000 2.868 2387 T HA 0.409 4.759 4.350 -0.000 0.000 0.306 2387 T C -1.828 172.759 174.700 -0.189 0.000 1.224 2387 T CA -0.730 61.278 62.100 -0.154 0.000 1.012 2387 T CB 1.543 70.538 68.868 0.212 0.000 1.221 2387 T HN 0.401 nan 8.240 nan 0.000 0.499 2388 K N 3.195 123.290 120.400 -0.509 0.000 2.358 2388 K HA 0.686 5.006 4.320 -0.000 0.000 0.260 2388 K C -1.579 174.847 176.600 -0.290 0.000 0.956 2388 K CA -0.802 55.178 56.287 -0.511 0.000 0.834 2388 K CB 1.224 33.319 32.500 -0.675 0.000 1.102 2388 K HN 0.434 nan 8.250 nan 0.000 0.431 2389 L N 3.033 124.087 121.223 -0.281 0.000 2.362 2389 L HA 0.462 4.802 4.340 -0.000 0.000 0.271 2389 L C -1.370 175.364 176.870 -0.226 0.000 1.002 2389 L CA -0.008 54.628 54.840 -0.339 0.000 0.818 2389 L CB 1.940 43.760 42.059 -0.398 0.000 1.298 2389 L HN 0.661 nan 8.230 nan 0.000 0.420 2390 E N 4.898 124.977 120.200 -0.203 0.000 2.182 2390 E HA 0.332 4.681 4.350 -0.000 0.000 0.258 2390 E C -1.927 174.673 176.600 0.000 0.000 0.879 2390 E CA -0.354 56.001 56.400 -0.076 0.000 0.754 2390 E CB 1.874 31.543 29.700 -0.051 0.000 1.162 2390 E HN 0.615 nan 8.360 nan 0.000 0.419 2391 Y N 1.445 121.671 120.300 -0.124 0.000 2.513 2391 Y HA 0.206 4.756 4.550 -0.000 0.000 0.340 2391 Y C -1.091 174.788 175.900 -0.035 0.000 1.055 2391 Y CA -0.694 57.349 58.100 -0.094 0.000 1.020 2391 Y CB 1.920 40.326 38.460 -0.090 0.000 1.301 2391 Y HN 0.381 nan 8.280 nan 0.000 0.453 2392 Q N 7.004 126.578 119.800 -0.378 0.000 2.965 2392 Q HA 0.270 4.609 4.340 -0.000 0.000 0.288 2392 Q C -2.700 173.024 176.000 -0.459 0.000 0.974 2392 Q CA -2.136 53.489 55.803 -0.297 0.000 0.849 2392 Q CB 1.251 29.886 28.738 -0.172 0.000 1.280 2392 Q HN 0.346 nan 8.270 nan 0.000 0.441 2393 P HA -0.020 nan 4.420 nan 0.000 0.268 2393 P C -0.349 176.916 177.300 -0.058 0.000 1.205 2393 P CA 0.238 63.197 63.100 -0.235 0.000 0.771 2393 P CB 1.165 32.886 31.700 0.035 0.000 0.858 2394 E N -0.148 120.032 120.200 -0.033 0.000 2.572 2394 E HA 0.143 4.493 4.350 -0.000 0.000 0.220 2394 E C 0.435 176.347 176.600 -1.146 0.000 0.945 2394 E CA -0.100 55.947 56.400 -0.588 0.000 1.070 2394 E CB 0.783 30.290 29.700 -0.322 0.000 1.090 2394 E HN 0.410 nan 8.360 nan 0.000 0.506 2395 S N -0.507 114.727 115.700 -0.777 0.000 2.607 2395 S HA 0.235 4.704 4.470 -0.000 0.000 0.273 2395 S C -0.058 174.462 174.600 -0.132 0.000 1.148 2395 S CA -0.792 56.997 58.200 -0.684 0.000 0.833 2395 S CB 0.545 63.123 63.200 -1.037 0.000 1.130 2395 S HN 0.195 nan 8.310 nan 0.000 0.470 2396 F N 1.349 121.420 119.950 0.202 0.000 2.546 2396 F HA 0.242 4.769 4.527 0.000 0.000 0.298 2396 F C 1.658 177.538 175.800 0.135 0.000 1.120 2396 F CA 0.635 58.778 58.000 0.238 0.000 1.456 2396 F CB -0.565 38.566 39.000 0.217 0.000 1.088 2396 F HN 0.594 nan 8.300 nan 0.000 0.572 2397 Q N 0.032 119.445 119.800 -0.645 0.000 2.482 2397 Q HA 0.049 4.389 4.340 -0.000 0.000 0.209 2397 Q C -0.437 175.584 176.000 0.036 0.000 0.961 2397 Q CA 0.345 55.936 55.803 -0.354 0.000 0.945 2397 Q CB -0.385 28.028 28.738 -0.542 0.000 1.012 2397 Q HN 0.631 nan 8.270 nan 0.000 0.515 2398 H N 0.041 119.151 119.070 0.066 0.000 2.511 2398 H HA 0.478 5.034 4.556 -0.000 0.000 0.328 2398 H C -0.572 174.996 175.328 0.400 0.000 1.044 2398 H CA -0.493 55.679 56.048 0.206 0.000 1.212 2398 H CB 0.876 30.686 29.762 0.080 0.000 1.428 2398 H HN -0.016 nan 8.280 nan 0.000 0.483 2399 M N 2.278 122.197 119.600 0.530 0.000 2.433 2399 M HA 0.663 5.143 4.480 -0.000 0.000 0.290 2399 M C -1.274 175.113 176.300 0.144 0.000 1.173 2399 M CA -0.760 54.794 55.300 0.423 0.000 0.905 2399 M CB 2.867 35.630 32.600 0.271 0.000 1.692 2399 M HN 0.661 nan 8.290 nan 0.000 0.462 2400 A N 1.419 124.218 122.820 -0.035 0.000 2.517 2400 A HA 1.001 5.321 4.320 -0.000 0.000 0.297 2400 A C -0.655 176.951 177.584 0.036 0.000 1.050 2400 A CA -0.031 51.882 52.037 -0.206 0.000 0.694 2400 A CB 1.854 20.151 19.000 -1.172 0.000 1.277 2400 A HN 1.103 nan 8.150 nan 0.000 0.400 2401 G N -0.447 108.569 108.800 0.360 0.000 2.335 2401 G HA2 0.566 4.526 3.960 -0.000 0.000 0.291 2401 G HA3 0.566 4.526 3.960 -0.000 0.000 0.291 2401 G C -1.985 173.258 174.900 0.573 0.000 1.261 2401 G CA -0.231 45.084 45.100 0.359 0.000 0.871 2401 G HN 1.687 nan 8.290 nan 0.000 0.491 2402 L N 1.341 122.835 121.223 0.451 0.000 2.276 2402 L HA 0.729 5.069 4.340 -0.000 0.000 0.286 2402 L C 0.330 177.514 176.870 0.524 0.000 1.061 2402 L CA -0.759 54.361 54.840 0.466 0.000 0.807 2402 L CB 1.173 43.458 42.059 0.377 0.000 1.177 2402 L HN 1.086 nan 8.230 nan 0.000 0.429 2403 V N 4.093 124.281 119.914 0.457 0.000 2.680 2403 V HA 0.654 4.774 4.120 -0.000 0.000 0.309 2403 V C -0.561 175.759 176.094 0.376 0.000 1.052 2403 V CA -0.701 61.845 62.300 0.409 0.000 0.908 2403 V CB 1.974 33.918 31.823 0.203 0.000 1.001 2403 V HN 0.562 nan 8.190 nan 0.000 0.431 2404 I N 5.347 126.146 120.570 0.381 0.000 2.382 2404 I HA 0.482 4.652 4.170 -0.000 0.000 0.285 2404 I C -0.977 175.383 176.117 0.406 0.000 1.007 2404 I CA -0.451 61.057 61.300 0.346 0.000 1.142 2404 I CB 0.948 39.115 38.000 0.279 0.000 1.289 2404 I HN 0.924 nan 8.210 nan 0.000 0.453 2405 Y N 6.112 126.570 120.300 0.263 0.000 2.391 2405 Y HA 0.306 4.856 4.550 -0.000 0.000 0.341 2405 Y C -0.324 175.756 175.900 0.300 0.000 0.965 2405 Y CA -0.424 57.844 58.100 0.281 0.000 1.067 2405 Y CB 2.249 40.848 38.460 0.230 0.000 1.199 2405 Y HN 0.511 nan 8.280 nan 0.000 0.450 2406 Y N 3.054 123.245 120.300 -0.182 0.000 2.439 2406 Y HA 0.208 4.758 4.550 -0.000 0.000 0.281 2406 Y C -0.172 175.544 175.900 -0.308 0.000 1.145 2406 Y CA 1.226 59.264 58.100 -0.103 0.000 1.252 2406 Y CB 0.594 38.969 38.460 -0.142 0.000 1.271 2406 Y HN 0.741 nan 8.280 nan 0.000 0.516 2407 D N -2.976 117.163 120.400 -0.436 0.000 2.946 2407 D HA 0.084 4.724 4.640 -0.000 0.000 0.337 2407 D C 0.648 176.710 176.300 -0.396 0.000 1.332 2407 D CA 0.328 54.069 54.000 -0.432 0.000 0.935 2407 D CB 0.338 41.147 40.800 0.014 0.000 1.440 2407 D HN 0.065 nan 8.370 nan 0.000 0.540 2408 T N -2.637 111.910 114.554 -0.011 0.000 2.977 2408 T HA -0.081 4.269 4.350 -0.000 0.000 0.271 2408 T C 0.830 175.625 174.700 0.159 0.000 1.105 2408 T CA 1.096 63.295 62.100 0.166 0.000 1.116 2408 T CB -0.220 68.724 68.868 0.128 0.000 0.878 2408 T HN 0.374 nan 8.240 nan 0.000 0.509 2409 E N 1.193 121.421 120.200 0.046 0.000 2.400 2409 E HA 0.155 4.505 4.350 -0.000 0.000 0.195 2409 E C -0.076 176.472 176.600 -0.086 0.000 1.012 2409 E CA 0.330 56.725 56.400 -0.007 0.000 0.875 2409 E CB 0.353 30.057 29.700 0.006 0.000 0.859 2409 E HN 0.642 nan 8.360 nan 0.000 0.498 2410 D N 0.629 120.967 120.400 -0.102 0.000 2.602 2410 D HA 0.276 4.916 4.640 -0.000 0.000 0.245 2410 D C -0.843 175.402 176.300 -0.092 0.000 1.325 2410 D CA -0.263 53.686 54.000 -0.085 0.000 0.952 2410 D CB 1.259 42.023 40.800 -0.060 0.000 1.317 2410 D HN 0.120 nan 8.370 nan 0.000 0.577 2411 H N -1.910 117.222 119.070 0.103 0.000 3.024 2411 H HA 0.617 5.173 4.556 -0.000 0.000 0.324 2411 H C -1.753 173.715 175.328 0.234 0.000 1.347 2411 H CA -0.922 55.196 56.048 0.117 0.000 1.182 2411 H CB 0.761 30.575 29.762 0.087 0.000 1.889 2411 H HN 0.002 nan 8.280 nan 0.000 0.528 2412 V N 1.775 121.945 119.914 0.428 0.000 2.588 2412 V HA 0.342 4.462 4.120 -0.000 0.000 0.304 2412 V C -1.343 175.035 176.094 0.473 0.000 1.042 2412 V CA -0.685 61.839 62.300 0.374 0.000 0.877 2412 V CB 1.688 33.677 31.823 0.277 0.000 0.996 2412 V HN 0.872 nan 8.190 nan 0.000 0.425 2413 Y N 5.482 125.954 120.300 0.286 0.000 2.333 2413 Y HA 0.587 5.137 4.550 -0.000 0.000 0.324 2413 Y C -0.927 175.178 175.900 0.342 0.000 1.033 2413 Y CA -1.084 57.193 58.100 0.294 0.000 1.224 2413 Y CB 1.623 40.238 38.460 0.257 0.000 1.120 2413 Y HN 0.617 nan 8.280 nan 0.000 0.457 2414 L N 8.592 129.953 121.223 0.230 0.000 2.283 2414 L HA 0.341 4.681 4.340 -0.000 0.000 0.287 2414 L C -0.760 176.033 176.870 -0.128 0.000 1.073 2414 L CA 0.157 55.020 54.840 0.037 0.000 0.822 2414 L CB -0.295 41.827 42.059 0.106 0.000 1.186 2414 L HN 0.662 nan 8.230 nan 0.000 0.436 2415 H N 3.217 122.049 119.070 -0.397 0.000 2.946 2415 H HA 0.621 5.177 4.556 -0.000 0.000 0.365 2415 H C -1.364 173.855 175.328 -0.180 0.000 1.197 2415 H CA -1.174 54.610 56.048 -0.440 0.000 1.131 2415 H CB 1.105 30.284 29.762 -0.971 0.000 1.849 2415 H HN 0.271 nan 8.280 nan 0.000 0.555 2416 V N 1.392 121.304 119.914 -0.004 0.000 2.427 2416 V HA 0.430 4.550 4.120 -0.000 0.000 0.286 2416 V C 0.536 176.813 176.094 0.304 0.000 1.034 2416 V CA -0.013 62.340 62.300 0.087 0.000 0.893 2416 V CB 1.171 33.097 31.823 0.172 0.000 0.982 2416 V HN 1.042 nan 8.190 nan 0.000 0.452 2417 T N 3.331 118.041 114.554 0.258 0.000 2.618 2417 T HA 0.558 4.908 4.350 -0.000 0.000 0.293 2417 T C -2.274 172.638 174.700 0.353 0.000 1.093 2417 T CA -0.506 61.826 62.100 0.387 0.000 1.061 2417 T CB 1.393 70.520 68.868 0.432 0.000 1.498 2417 T HN 0.643 nan 8.240 nan 0.000 0.494 2418 W N 1.018 122.424 121.300 0.177 0.000 2.819 2418 W HA 0.707 5.367 4.660 0.000 0.000 0.337 2418 W C -1.438 175.205 176.519 0.207 0.000 1.077 2418 W CA -0.465 56.962 57.345 0.137 0.000 1.226 2418 W CB 1.222 30.721 29.460 0.066 0.000 1.419 2418 W HN 0.843 nan 8.180 nan 0.000 0.502 2419 H N 2.561 121.203 119.070 -0.715 0.000 2.600 2419 H HA 0.294 4.850 4.556 -0.000 0.000 0.357 2419 H C 0.786 175.297 175.328 -1.361 0.000 1.106 2419 H CA -0.397 55.245 56.048 -0.677 0.000 1.193 2419 H CB 2.018 31.562 29.762 -0.364 0.000 1.594 2419 H HN 0.562 nan 8.280 nan 0.000 0.526 2420 E N 2.119 121.491 120.200 -1.381 0.000 2.219 2420 E HA -0.170 4.180 4.350 -0.000 0.000 0.198 2420 E C 0.951 177.204 176.600 -0.578 0.000 0.998 2420 E CA 1.574 57.404 56.400 -0.950 0.000 0.818 2420 E CB 0.283 29.747 29.700 -0.393 0.000 0.741 2420 E HN 0.616 nan 8.360 nan 0.000 0.477 2421 E N -0.042 119.876 120.200 -0.471 0.000 2.206 2421 E HA 0.066 4.415 4.350 -0.000 0.000 0.195 2421 E C 1.471 178.034 176.600 -0.061 0.000 0.935 2421 E CA 0.555 56.884 56.400 -0.119 0.000 0.875 2421 E CB 0.041 29.765 29.700 0.040 0.000 0.841 2421 E HN 0.188 nan 8.360 nan 0.000 0.477 2422 K N 0.808 121.221 120.400 0.021 0.000 2.426 2422 K HA 0.177 4.496 4.320 -0.000 0.000 0.193 2422 K C 1.070 177.575 176.600 -0.157 0.000 1.028 2422 K CA 0.465 56.710 56.287 -0.070 0.000 1.047 2422 K CB 0.617 33.060 32.500 -0.096 0.000 0.821 2422 K HN 0.153 nan 8.250 nan 0.000 0.513 2423 G N 2.754 111.328 108.800 -0.377 0.000 2.547 2423 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.271 2423 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.271 2423 G C -0.501 174.269 174.900 -0.217 0.000 1.209 2423 G CA -0.112 44.768 45.100 -0.367 0.000 0.959 2423 G HN 0.329 nan 8.290 nan 0.000 0.563 2424 K N 0.661 121.094 120.400 0.054 0.000 2.484 2424 K HA 0.391 4.711 4.320 -0.000 0.000 0.280 2424 K C 0.608 177.218 176.600 0.017 0.000 1.013 2424 K CA 0.464 56.812 56.287 0.103 0.000 1.029 2424 K CB -0.660 31.908 32.500 0.112 0.000 0.902 2424 K HN 1.284 nan 8.250 nan 0.000 0.481 2425 C N 2.160 121.468 119.300 0.013 0.000 3.332 2425 C HA 0.689 5.149 4.460 -0.000 0.000 0.329 2425 C C -1.310 173.612 174.990 -0.113 0.000 1.434 2425 C CA -1.498 57.480 59.018 -0.067 0.000 1.314 2425 C CB 0.357 28.031 27.740 -0.110 0.000 1.664 2425 C HN 0.759 nan 8.230 nan 0.000 0.457 2426 L N 1.510 122.600 121.223 -0.221 0.000 2.346 2426 L HA 0.841 5.181 4.340 -0.000 0.000 0.276 2426 L C -0.409 176.240 176.870 -0.369 0.000 1.006 2426 L CA 0.303 54.941 54.840 -0.337 0.000 0.817 2426 L CB 1.647 43.409 42.059 -0.495 0.000 1.272 2426 L HN 1.045 nan 8.230 nan 0.000 0.421 2427 Q N 3.442 122.931 119.800 -0.519 0.000 2.511 2427 Q HA 0.667 5.007 4.340 -0.000 0.000 0.289 2427 Q C -1.985 173.742 176.000 -0.455 0.000 1.021 2427 Q CA -0.379 55.154 55.803 -0.449 0.000 0.785 2427 Q CB 1.969 30.495 28.738 -0.353 0.000 1.472 2427 Q HN 0.619 nan 8.270 nan 0.000 0.411 2428 I N 2.942 123.412 120.570 -0.166 0.000 2.410 2428 I HA 0.458 4.628 4.170 -0.000 0.000 0.286 2428 I C -0.584 175.592 176.117 0.098 0.000 1.009 2428 I CA -0.638 60.655 61.300 -0.012 0.000 1.111 2428 I CB 1.502 39.483 38.000 -0.032 0.000 1.262 2428 I HN 0.554 nan 8.210 nan 0.000 0.443 2429 I N 5.824 126.554 120.570 0.268 0.000 2.392 2429 I HA 0.333 4.503 4.170 -0.000 0.000 0.295 2429 I C -0.245 175.965 176.117 0.154 0.000 0.985 2429 I CA -0.317 61.094 61.300 0.185 0.000 1.221 2429 I CB 1.726 39.942 38.000 0.360 0.000 1.366 2429 I HN 0.586 nan 8.210 nan 0.000 0.467 2430 Q N 4.728 124.510 119.800 -0.030 0.000 2.274 2430 Q HA 0.422 4.762 4.340 -0.000 0.000 0.268 2430 Q C -1.634 174.273 176.000 -0.155 0.000 1.015 2430 Q CA -0.576 55.210 55.803 -0.028 0.000 0.775 2430 Q CB 2.050 30.746 28.738 -0.070 0.000 1.256 2430 Q HN 0.596 nan 8.270 nan 0.000 0.442 2431 T N 4.145 118.563 114.554 -0.227 0.000 2.770 2431 T HA 0.421 4.771 4.350 -0.000 0.000 0.283 2431 T C -0.996 173.562 174.700 -0.238 0.000 0.988 2431 T CA -0.487 61.439 62.100 -0.291 0.000 0.957 2431 T CB 0.996 69.537 68.868 -0.545 0.000 0.930 2431 T HN 0.413 nan 8.240 nan 0.000 0.443 2432 K N 1.721 122.005 120.400 -0.195 0.000 2.463 2432 K HA 0.520 4.840 4.320 -0.000 0.000 0.255 2432 K C 0.822 177.360 176.600 -0.102 0.000 0.942 2432 K CA -0.393 55.775 56.287 -0.199 0.000 0.814 2432 K CB 0.973 33.224 32.500 -0.416 0.000 1.122 2432 K HN 0.787 nan 8.250 nan 0.000 0.425 2433 G N 2.663 111.437 108.800 -0.044 0.000 2.225 2433 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.267 2433 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.267 2433 G C 0.731 175.615 174.900 -0.026 0.000 1.024 2433 G CA 0.621 45.700 45.100 -0.036 0.000 0.784 2433 G HN 1.399 nan 8.290 nan 0.000 0.507 2434 G N -1.554 107.230 108.800 -0.027 0.000 2.179 2434 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 2434 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 2434 G C 0.098 175.009 174.900 0.018 0.000 0.977 2434 G CA 0.431 45.532 45.100 0.001 0.000 0.641 2434 G HN 1.086 nan 8.290 nan 0.000 0.533 2435 N N 0.180 118.877 118.700 -0.005 0.000 2.426 2435 N HA 0.408 5.148 4.740 -0.000 0.000 0.257 2435 N C -0.398 175.137 175.510 0.041 0.000 1.002 2435 N CA -0.399 52.664 53.050 0.022 0.000 0.942 2435 N CB 1.229 39.708 38.487 -0.013 0.000 1.112 2435 N HN 0.350 nan 8.380 nan 0.000 0.499 2436 Y N 1.689 121.981 120.300 -0.014 0.000 2.411 2436 Y HA 0.189 4.739 4.550 -0.000 0.000 0.333 2436 Y C -0.160 175.744 175.900 0.007 0.000 1.186 2436 Y CA 0.443 58.550 58.100 0.010 0.000 1.381 2436 Y CB 0.652 39.138 38.460 0.044 0.000 1.273 2436 Y HN 0.494 nan 8.280 nan 0.000 0.546 2437 D N 3.116 123.090 120.400 -0.709 0.000 2.623 2437 D HA 0.298 4.938 4.640 -0.000 0.000 0.241 2437 D C -1.949 173.993 176.300 -0.595 0.000 1.241 2437 D CA -0.606 53.091 54.000 -0.504 0.000 0.788 2437 D CB 1.591 42.251 40.800 -0.235 0.000 1.413 2437 D HN 0.671 nan 8.370 nan 0.000 0.429 2438 E N 1.588 121.601 120.200 -0.312 0.000 2.199 2438 E HA 0.344 4.694 4.350 -0.000 0.000 0.265 2438 E C 0.378 176.914 176.600 -0.107 0.000 0.882 2438 E CA -0.469 55.829 56.400 -0.171 0.000 0.759 2438 E CB 2.095 31.757 29.700 -0.062 0.000 1.148 2438 E HN 0.339 nan 8.360 nan 0.000 0.412 2439 L N 2.662 123.833 121.223 -0.086 0.000 2.554 2439 L HA 0.163 4.503 4.340 -0.000 0.000 0.226 2439 L C 0.231 177.060 176.870 -0.068 0.000 1.137 2439 L CA 0.581 55.376 54.840 -0.076 0.000 0.863 2439 L CB -0.113 41.903 42.059 -0.072 0.000 0.985 2439 L HN 0.372 nan 8.230 nan 0.000 0.451 2440 L N -0.731 120.450 121.223 -0.071 0.000 2.313 2440 L HA 0.411 4.751 4.340 -0.000 0.000 0.283 2440 L C 1.272 178.103 176.870 -0.065 0.000 1.013 2440 L CA -0.469 54.328 54.840 -0.072 0.000 0.816 2440 L CB 1.757 43.758 42.059 -0.097 0.000 1.236 2440 L HN -0.093 nan 8.230 nan 0.000 0.419 2441 A N 2.432 125.219 122.820 -0.055 0.000 1.948 2441 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 2441 A C 0.890 178.434 177.584 -0.067 0.000 1.177 2441 A CA 1.387 53.395 52.037 -0.049 0.000 0.636 2441 A CB -0.072 18.905 19.000 -0.039 0.000 0.815 2441 A HN 0.639 nan 8.150 nan 0.000 0.449 2442 S N -0.483 115.161 115.700 -0.094 0.000 2.540 2442 S HA 0.541 5.011 4.470 -0.000 0.000 0.275 2442 S C -2.990 171.503 174.600 -0.179 0.000 1.123 2442 S CA -1.051 57.059 58.200 -0.151 0.000 0.907 2442 S CB 2.293 65.405 63.200 -0.147 0.000 1.081 2442 S HN 0.241 nan 8.310 nan 0.000 0.476 2443 P HA 0.276 nan 4.420 nan 0.000 0.272 2443 P C -0.914 176.258 177.300 -0.213 0.000 1.223 2443 P CA -0.267 62.692 63.100 -0.234 0.000 0.784 2443 P CB 0.453 32.002 31.700 -0.253 0.000 0.923 2444 I N 4.115 124.564 120.570 -0.201 0.000 2.325 2444 I HA 0.179 4.349 4.170 -0.000 0.000 0.291 2444 I C -1.710 174.327 176.117 -0.134 0.000 1.019 2444 I CA -2.526 58.681 61.300 -0.155 0.000 1.302 2444 I CB 1.078 38.967 38.000 -0.185 0.000 1.401 2444 I HN 0.169 nan 8.210 nan 0.000 0.485 2445 P HA 0.127 nan 4.420 nan 0.000 0.268 2445 P C -0.964 176.332 177.300 -0.006 0.000 1.205 2445 P CA 0.172 63.242 63.100 -0.050 0.000 0.771 2445 P CB 0.951 32.631 31.700 -0.033 0.000 0.858 2446 L N 1.706 122.932 121.223 0.005 0.000 2.341 2446 L HA 0.620 4.960 4.340 -0.000 0.000 0.267 2446 L C 0.594 177.495 176.870 0.053 0.000 1.009 2446 L CA -1.430 53.438 54.840 0.046 0.000 0.819 2446 L CB 1.870 43.952 42.059 0.039 0.000 1.323 2446 L HN 0.314 nan 8.230 nan 0.000 0.425 2447 A N 0.831 123.690 122.820 0.066 0.000 2.492 2447 A HA 0.114 4.434 4.320 -0.000 0.000 0.254 2447 A C 0.928 178.545 177.584 0.054 0.000 1.091 2447 A CA -0.169 51.901 52.037 0.056 0.000 0.768 2447 A CB 0.479 19.512 19.000 0.056 0.000 1.028 2447 A HN 0.865 nan 8.150 nan 0.000 0.498 2448 E N 1.574 121.804 120.200 0.051 0.000 2.097 2448 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 2448 E C 1.020 177.643 176.600 0.038 0.000 1.000 2448 E CA 2.217 58.648 56.400 0.052 0.000 0.804 2448 E CB 0.037 29.769 29.700 0.054 0.000 0.740 2448 E HN 0.818 nan 8.360 nan 0.000 0.454 2449 E N -0.273 119.948 120.200 0.035 0.000 2.437 2449 E HA 0.236 4.586 4.350 -0.000 0.000 0.195 2449 E C -0.441 176.177 176.600 0.030 0.000 1.029 2449 E CA -0.040 56.376 56.400 0.027 0.000 0.948 2449 E CB 0.164 29.878 29.700 0.024 0.000 1.082 2449 E HN -0.011 nan 8.360 nan 0.000 0.456 2450 K N 0.524 120.946 120.400 0.037 0.000 2.318 2450 K HA 0.727 5.046 4.320 -0.000 0.000 0.249 2450 K C -0.430 176.188 176.600 0.030 0.000 0.942 2450 K CA -1.091 55.222 56.287 0.043 0.000 0.808 2450 K CB 2.154 34.690 32.500 0.060 0.000 1.189 2450 K HN 0.143 nan 8.250 nan 0.000 0.428 2451 A N 1.648 124.474 122.820 0.009 0.000 2.366 2451 A HA 0.405 4.725 4.320 -0.000 0.000 0.249 2451 A C -0.282 177.259 177.584 -0.070 0.000 1.084 2451 A CA -0.343 51.656 52.037 -0.064 0.000 0.794 2451 A CB 0.423 19.343 19.000 -0.133 0.000 1.034 2451 A HN 0.393 nan 8.150 nan 0.000 0.491 2452 V N 1.033 120.873 119.914 -0.123 0.000 2.604 2452 V HA 0.352 4.472 4.120 -0.000 0.000 0.305 2452 V C -1.196 174.829 176.094 -0.115 0.000 1.043 2452 V CA -0.371 61.919 62.300 -0.016 0.000 0.888 2452 V CB 1.184 33.045 31.823 0.064 0.000 0.995 2452 V HN 0.731 nan 8.190 nan 0.000 0.429 2453 Y N 4.587 124.944 120.300 0.096 0.000 2.328 2453 Y HA 0.684 5.234 4.550 -0.000 0.000 0.337 2453 Y C 0.039 176.163 175.900 0.374 0.000 1.008 2453 Y CA -0.513 57.672 58.100 0.142 0.000 1.129 2453 Y CB 1.415 39.794 38.460 -0.135 0.000 1.185 2453 Y HN 0.417 nan 8.280 nan 0.000 0.476 2454 L N 4.412 125.953 121.223 0.530 0.000 2.365 2454 L HA 0.647 4.986 4.340 -0.000 0.000 0.273 2454 L C -0.540 176.606 176.870 0.461 0.000 1.000 2454 L CA -0.917 54.224 54.840 0.501 0.000 0.819 2454 L CB 2.160 44.412 42.059 0.322 0.000 1.284 2454 L HN 0.524 nan 8.230 nan 0.000 0.418 2455 K N 1.262 121.901 120.400 0.398 0.000 2.502 2455 K HA 0.783 5.103 4.320 -0.000 0.000 0.257 2455 K C -1.223 175.502 176.600 0.208 0.000 0.938 2455 K CA -0.567 55.802 56.287 0.137 0.000 0.819 2455 K CB 2.713 34.995 32.500 -0.364 0.000 1.333 2455 K HN 0.752 nan 8.250 nan 0.000 0.434 2456 G N 2.377 111.260 108.800 0.139 0.000 2.638 2456 G HA2 0.487 4.447 3.960 -0.000 0.000 0.302 2456 G HA3 0.487 4.447 3.960 -0.000 0.000 0.302 2456 G C -1.747 173.226 174.900 0.122 0.000 1.365 2456 G CA -0.641 44.572 45.100 0.188 0.000 0.987 2456 G HN 0.504 nan 8.290 nan 0.000 0.495 2457 R N 2.396 122.995 120.500 0.165 0.000 2.476 2457 R HA 0.575 4.915 4.340 -0.000 0.000 0.305 2457 R C -1.038 175.260 176.300 -0.003 0.000 0.965 2457 R CA -0.661 55.461 56.100 0.037 0.000 0.867 2457 R CB 1.148 31.489 30.300 0.069 0.000 1.176 2457 R HN 0.457 nan 8.270 nan 0.000 0.447 2458 I N 3.469 123.966 120.570 -0.121 0.000 2.441 2458 I HA 0.312 4.482 4.170 -0.000 0.000 0.295 2458 I C -0.624 175.322 176.117 -0.284 0.000 0.994 2458 I CA -0.850 60.397 61.300 -0.089 0.000 1.144 2458 I CB 1.908 39.919 38.000 0.019 0.000 1.314 2458 I HN 0.675 nan 8.210 nan 0.000 0.445 2459 H N 5.936 125.046 119.070 0.066 0.000 2.917 2459 H HA 0.457 5.013 4.556 -0.000 0.000 0.279 2459 H C -0.172 175.106 175.328 -0.083 0.000 1.211 2459 H CA -0.555 55.489 56.048 -0.007 0.000 1.534 2459 H CB 0.716 30.563 29.762 0.142 0.000 1.581 2459 H HN 0.572 nan 8.280 nan 0.000 0.510 2460 R N 0.740 121.182 120.500 -0.098 0.000 3.943 2460 R HA -0.318 4.022 4.340 -0.000 0.000 0.368 2460 R C 0.810 177.122 176.300 0.021 0.000 0.242 2460 R CA 1.899 57.947 56.100 -0.087 0.000 1.197 2460 R CB -0.819 29.381 30.300 -0.166 0.000 0.990 2460 R HN 0.506 nan 8.270 nan 0.000 0.565 2461 E N 1.298 121.501 120.200 0.006 0.000 2.338 2461 E HA -0.015 4.335 4.350 -0.000 0.000 0.197 2461 E C 0.633 177.269 176.600 0.061 0.000 1.007 2461 E CA 1.503 57.925 56.400 0.036 0.000 0.849 2461 E CB 0.028 29.742 29.700 0.024 0.000 0.774 2461 E HN 0.582 nan 8.360 nan 0.000 0.506 2462 T N -1.581 113.024 114.554 0.086 0.000 2.916 2462 T HA 0.686 5.036 4.350 -0.000 0.000 0.292 2462 T C -0.280 174.500 174.700 0.133 0.000 1.055 2462 T CA -1.144 61.019 62.100 0.105 0.000 1.009 2462 T CB 1.757 70.691 68.868 0.109 0.000 1.118 2462 T HN 0.119 nan 8.240 nan 0.000 0.497 2463 M N 0.686 120.364 119.600 0.130 0.000 2.622 2463 M HA 0.760 5.240 4.480 -0.000 0.000 0.276 2463 M C -1.863 174.528 176.300 0.152 0.000 1.265 2463 M CA -0.855 54.531 55.300 0.144 0.000 0.850 2463 M CB 2.324 34.992 32.600 0.115 0.000 1.720 2463 M HN 0.900 nan 8.290 nan 0.000 0.465 2464 H N 0.193 119.319 119.070 0.093 0.000 2.851 2464 H HA 0.761 5.317 4.556 -0.000 0.000 0.372 2464 H C -1.991 173.297 175.328 -0.067 0.000 1.158 2464 H CA -0.473 55.563 56.048 -0.020 0.000 1.159 2464 H CB 2.011 31.735 29.762 -0.062 0.000 1.757 2464 H HN 0.778 nan 8.280 nan 0.000 0.546 2465 L N 3.781 124.795 121.223 -0.349 0.000 2.344 2465 L HA 0.488 4.827 4.340 -0.000 0.000 0.272 2465 L C -1.035 175.686 176.870 -0.250 0.000 1.035 2465 L CA -0.685 54.092 54.840 -0.105 0.000 0.807 2465 L CB 1.023 43.053 42.059 -0.049 0.000 1.237 2465 L HN 0.613 nan 8.230 nan 0.000 0.442 2466 Y N 0.935 121.406 120.300 0.285 0.000 2.615 2466 Y HA 0.677 5.227 4.550 -0.000 0.000 0.341 2466 Y C -0.439 175.842 175.900 0.637 0.000 1.089 2466 Y CA -1.015 57.328 58.100 0.406 0.000 1.049 2466 Y CB 2.030 40.635 38.460 0.242 0.000 1.296 2466 Y HN 0.444 nan 8.280 nan 0.000 0.470 2467 F N -0.421 119.933 119.950 0.673 0.000 2.773 2467 F HA 0.855 5.382 4.527 -0.000 0.000 0.314 2467 F C -1.939 174.033 175.800 0.288 0.000 1.160 2467 F CA -1.348 56.971 58.000 0.531 0.000 0.920 2467 F CB 2.001 41.170 39.000 0.282 0.000 1.323 2467 F HN 0.495 nan 8.300 nan 0.000 0.457 2468 K N 0.802 121.132 120.400 -0.116 0.000 2.660 2468 K HA 0.480 4.800 4.320 -0.000 0.000 0.285 2468 K C -2.227 174.393 176.600 0.033 0.000 0.997 2468 K CA -1.040 55.022 56.287 -0.375 0.000 0.861 2468 K CB 1.947 34.033 32.500 -0.689 0.000 1.469 2468 K HN 0.874 nan 8.250 nan 0.000 0.395 2469 Q N 0.922 120.741 119.800 0.031 0.000 2.248 2469 Q HA 0.224 4.564 4.340 -0.000 0.000 0.263 2469 Q C 0.107 176.188 176.000 0.135 0.000 1.007 2469 Q CA -0.916 54.980 55.803 0.155 0.000 0.877 2469 Q CB 2.017 30.834 28.738 0.131 0.000 1.315 2469 Q HN 0.683 nan 8.270 nan 0.000 0.454 2470 E N 1.137 121.475 120.200 0.229 0.000 2.242 2470 E HA -0.314 4.036 4.350 -0.000 0.000 0.247 2470 E C 1.497 178.139 176.600 0.071 0.000 1.056 2470 E CA 1.865 58.404 56.400 0.231 0.000 0.999 2470 E CB -0.452 29.341 29.700 0.155 0.000 0.891 2470 E HN 0.915 nan 8.360 nan 0.000 0.512 2471 G N 0.976 109.797 108.800 0.035 0.000 2.708 2471 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.210 2471 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.210 2471 G C 0.041 174.911 174.900 -0.051 0.000 1.141 2471 G CA 0.132 45.229 45.100 -0.005 0.000 0.788 2471 G HN 0.210 nan 8.290 nan 0.000 0.531 2472 E N -0.350 119.795 120.200 -0.091 0.000 2.283 2472 E HA 0.483 4.833 4.350 -0.000 0.000 0.278 2472 E C 1.029 177.503 176.600 -0.209 0.000 1.027 2472 E CA -0.158 56.156 56.400 -0.144 0.000 0.843 2472 E CB 1.579 31.176 29.700 -0.172 0.000 1.062 2472 E HN 0.081 nan 8.360 nan 0.000 0.401 2473 A N 3.282 126.005 122.820 -0.162 0.000 1.984 2473 A HA -0.003 4.317 4.320 -0.000 0.000 0.214 2473 A C 0.646 178.125 177.584 -0.175 0.000 1.173 2473 A CA 0.789 52.733 52.037 -0.155 0.000 0.673 2473 A CB 0.240 19.186 19.000 -0.089 0.000 0.830 2473 A HN 0.489 nan 8.150 nan 0.000 0.453 2474 E N -1.836 118.264 120.200 -0.166 0.000 2.207 2474 E HA 0.485 4.835 4.350 -0.000 0.000 0.270 2474 E C -1.400 175.101 176.600 -0.165 0.000 0.927 2474 E CA -0.568 55.767 56.400 -0.107 0.000 0.799 2474 E CB 0.776 30.455 29.700 -0.035 0.000 1.172 2474 E HN 0.430 nan 8.360 nan 0.000 0.404 2475 W N 1.537 122.774 121.300 -0.105 0.000 2.251 2475 W HA 0.296 4.956 4.660 -0.000 0.000 0.329 2475 W C 0.121 176.602 176.519 -0.064 0.000 1.234 2475 W CA -0.067 57.222 57.345 -0.093 0.000 1.228 2475 W CB 0.738 30.158 29.460 -0.066 0.000 1.135 2475 W HN 0.261 nan 8.180 nan 0.000 0.576 2476 Q N 4.412 124.286 119.800 0.124 0.000 2.333 2476 Q HA 0.330 4.670 4.340 -0.000 0.000 0.267 2476 Q C -2.195 173.971 176.000 0.278 0.000 1.012 2476 Q CA -2.134 53.696 55.803 0.045 0.000 0.824 2476 Q CB 2.161 30.698 28.738 -0.336 0.000 1.290 2476 Q HN 0.073 nan 8.270 nan 0.000 0.449 2477 P HA 0.104 nan 4.420 nan 0.000 0.275 2477 P C -1.087 176.359 177.300 0.243 0.000 1.228 2477 P CA -0.180 63.015 63.100 0.158 0.000 0.786 2477 P CB 1.261 32.998 31.700 0.062 0.000 0.927 2478 V N 1.867 121.886 119.914 0.174 0.000 2.733 2478 V HA 0.713 4.833 4.120 -0.000 0.000 0.306 2478 V C -0.072 175.986 176.094 -0.061 0.000 1.084 2478 V CA 0.636 63.024 62.300 0.147 0.000 0.905 2478 V CB 1.037 32.992 31.823 0.220 0.000 1.010 2478 V HN 1.093 nan 8.190 nan 0.000 0.424 2479 G N 6.827 115.599 108.800 -0.047 0.000 2.828 2479 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.463 2479 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.463 2479 G C -2.917 171.891 174.900 -0.154 0.000 1.394 2479 G CA -0.173 44.857 45.100 -0.118 0.000 0.862 2479 G HN 0.918 nan 8.290 nan 0.000 0.540 2480 P HA 0.458 nan 4.420 nan 0.000 0.284 2480 P C 0.472 177.684 177.300 -0.147 0.000 1.292 2480 P CA 0.265 63.336 63.100 -0.050 0.000 0.800 2480 P CB 0.620 32.306 31.700 -0.024 0.000 1.188 2481 T N -1.689 112.904 114.554 0.065 0.000 2.919 2481 T HA 0.473 4.823 4.350 -0.000 0.000 0.302 2481 T C 0.392 175.103 174.700 0.018 0.000 1.031 2481 T CA -0.402 61.771 62.100 0.121 0.000 1.127 2481 T CB -0.301 68.684 68.868 0.194 0.000 0.952 2481 T HN 0.197 nan 8.240 nan 0.000 0.540 2482 I N 2.392 122.970 120.570 0.013 0.000 2.433 2482 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 2482 I C 0.040 176.191 176.117 0.057 0.000 1.001 2482 I CA -0.975 60.337 61.300 0.020 0.000 1.119 2482 I CB 1.765 39.776 38.000 0.019 0.000 1.289 2482 I HN 0.686 nan 8.210 nan 0.000 0.438 2483 D N 5.992 126.419 120.400 0.046 0.000 2.336 2483 D HA 0.113 4.753 4.640 -0.000 0.000 0.249 2483 D C 0.522 176.892 176.300 0.117 0.000 1.213 2483 D CA -0.063 53.968 54.000 0.053 0.000 0.870 2483 D CB 1.758 42.563 40.800 0.008 0.000 1.076 2483 D HN 0.243 nan 8.370 nan 0.000 0.483 2484 V N 3.597 123.571 119.914 0.100 0.000 3.623 2484 V HA -0.096 4.023 4.120 -0.000 0.000 0.271 2484 V C 2.297 178.383 176.094 -0.015 0.000 1.248 2484 V CA 1.254 63.602 62.300 0.080 0.000 1.156 2484 V CB -0.551 31.314 31.823 0.070 0.000 0.870 2484 V HN 0.726 nan 8.190 nan 0.000 0.453 2485 T N -1.346 113.194 114.554 -0.023 0.000 3.051 2485 T HA -0.232 4.118 4.350 -0.000 0.000 0.269 2485 T C 1.766 176.331 174.700 -0.225 0.000 1.127 2485 T CA 1.437 63.459 62.100 -0.130 0.000 1.107 2485 T CB -0.590 68.111 68.868 -0.277 0.000 0.898 2485 T HN 0.765 nan 8.240 nan 0.000 0.517 2486 H N 0.699 119.635 119.070 -0.223 0.000 2.524 2486 H HA 0.195 4.751 4.556 -0.000 0.000 0.282 2486 H C 0.673 175.878 175.328 -0.204 0.000 1.016 2486 H CA 0.236 56.150 56.048 -0.223 0.000 1.270 2486 H CB -0.442 29.215 29.762 -0.175 0.000 1.394 2486 H HN 0.395 nan 8.280 nan 0.000 0.568 2487 M N 2.604 121.827 119.600 -0.629 0.000 2.852 2487 M HA 0.215 4.695 4.480 -0.000 0.000 0.321 2487 M C -0.571 175.553 176.300 -0.293 0.000 1.337 2487 M CA -0.279 54.740 55.300 -0.468 0.000 1.406 2487 M CB 0.719 33.141 32.600 -0.296 0.000 1.152 2487 M HN 0.353 nan 8.290 nan 0.000 0.508 2488 S N -0.821 114.524 115.700 -0.592 0.000 2.636 2488 S HA 0.378 4.848 4.470 -0.000 0.000 0.268 2488 S C -0.181 174.122 174.600 -0.495 0.000 1.159 2488 S CA -0.961 57.054 58.200 -0.308 0.000 0.815 2488 S CB 1.268 64.481 63.200 0.021 0.000 1.130 2488 S HN 0.425 nan 8.310 nan 0.000 0.471 2489 D N 0.789 121.133 120.400 -0.094 0.000 2.264 2489 D HA 0.062 4.702 4.640 -0.000 0.000 0.208 2489 D C 0.464 176.731 176.300 -0.056 0.000 0.966 2489 D CA 1.473 55.445 54.000 -0.047 0.000 0.864 2489 D CB -0.273 40.552 40.800 0.041 0.000 0.933 2489 D HN 0.714 nan 8.370 nan 0.000 0.499 2490 D N -1.312 119.103 120.400 0.025 0.000 2.398 2490 D HA -0.001 4.638 4.640 -0.000 0.000 0.210 2490 D C 1.396 177.794 176.300 0.164 0.000 1.094 2490 D CA 0.173 54.226 54.000 0.088 0.000 0.839 2490 D CB 0.311 41.171 40.800 0.100 0.000 0.963 2490 D HN 0.034 nan 8.370 nan 0.000 0.506 2491 S N -0.343 115.441 115.700 0.140 0.000 2.558 2491 S HA 0.381 4.851 4.470 -0.000 0.000 0.217 2491 S C 1.013 175.629 174.600 0.025 0.000 0.975 2491 S CA -0.510 57.770 58.200 0.133 0.000 0.912 2491 S CB 0.167 63.358 63.200 -0.016 0.000 0.776 2491 S HN 0.218 nan 8.310 nan 0.000 0.526 2492 A N 1.638 124.446 122.820 -0.020 0.000 2.247 2492 A HA 0.720 5.039 4.320 -0.000 0.000 0.313 2492 A C 1.203 178.780 177.584 -0.012 0.000 1.109 2492 A CA -0.570 51.449 52.037 -0.029 0.000 0.890 2492 A CB 0.490 19.460 19.000 -0.050 0.000 1.239 2492 A HN 0.137 nan 8.150 nan 0.000 0.506 2493 K N -0.636 119.748 120.400 -0.027 0.000 2.063 2493 K HA -0.112 4.207 4.320 -0.000 0.000 0.208 2493 K C 0.625 177.200 176.600 -0.042 0.000 1.048 2493 K CA 1.839 58.106 56.287 -0.034 0.000 0.928 2493 K CB -0.167 32.298 32.500 -0.058 0.000 0.713 2493 K HN 0.704 nan 8.250 nan 0.000 0.442 2494 Q N -0.688 119.074 119.800 -0.064 0.000 2.399 2494 Q HA 0.369 4.709 4.340 -0.000 0.000 0.276 2494 Q C -0.963 175.036 176.000 -0.001 0.000 1.098 2494 Q CA -1.177 54.597 55.803 -0.048 0.000 0.827 2494 Q CB 2.463 31.089 28.738 -0.187 0.000 1.386 2494 Q HN -0.126 nan 8.270 nan 0.000 0.443 2495 V N 1.242 121.172 119.914 0.026 0.000 3.032 2495 V HA 0.034 4.154 4.120 -0.000 0.000 0.307 2495 V C 0.094 176.034 176.094 -0.257 0.000 1.097 2495 V CA 0.403 62.658 62.300 -0.074 0.000 1.191 2495 V CB -0.016 31.785 31.823 -0.038 0.000 0.964 2495 V HN 0.670 nan 8.190 nan 0.000 0.494 2496 R N 1.700 121.977 120.500 -0.370 0.000 2.807 2496 R HA 0.573 4.913 4.340 -0.000 0.000 0.276 2496 R C -0.941 175.025 176.300 -0.556 0.000 0.979 2496 R CA -0.639 55.196 56.100 -0.441 0.000 0.928 2496 R CB 1.403 31.675 30.300 -0.047 0.000 1.191 2496 R HN 0.539 nan 8.270 nan 0.000 0.471 2497 F N -0.419 119.286 119.950 -0.408 0.000 2.654 2497 F HA 0.141 4.668 4.527 -0.000 0.000 0.303 2497 F C 1.433 176.747 175.800 -0.810 0.000 1.099 2497 F CA -0.321 57.198 58.000 -0.802 0.000 1.270 2497 F CB 0.049 38.043 39.000 -1.677 0.000 1.024 2497 F HN 0.579 nan 8.300 nan 0.000 0.548 2498 T N -2.264 112.004 114.554 -0.477 0.000 2.757 2498 T HA 0.806 5.156 4.350 -0.000 0.000 0.179 2498 T C 0.821 175.072 174.700 -0.749 0.000 0.705 2498 T CA 0.164 61.672 62.100 -0.987 0.000 1.952 2498 T CB 0.194 68.480 68.868 -0.970 0.000 2.670 2498 T HN 0.203 nan 8.240 nan 0.000 0.404 2499 G N -0.095 108.260 108.800 -0.742 0.000 2.321 2499 G HA2 0.424 4.384 3.960 -0.000 0.000 0.298 2499 G HA3 0.424 4.384 3.960 -0.000 0.000 0.298 2499 G C -1.115 173.689 174.900 -0.160 0.000 1.385 2499 G CA -0.661 44.319 45.100 -0.200 0.000 0.856 2499 G HN 0.569 nan 8.290 nan 0.000 0.584 2500 T N 0.974 115.578 114.554 0.082 0.000 2.851 2500 T HA 0.559 4.909 4.350 -0.000 0.000 0.298 2500 T C -0.697 174.032 174.700 0.047 0.000 0.977 2500 T CA 0.553 62.745 62.100 0.153 0.000 1.126 2500 T CB 0.356 69.322 68.868 0.164 0.000 0.916 2500 T HN 0.309 nan 8.240 nan 0.000 0.529 2501 F N 1.648 121.559 119.950 -0.066 0.000 2.556 2501 F HA 0.678 5.205 4.527 -0.000 0.000 0.327 2501 F C 0.123 175.946 175.800 0.039 0.000 1.059 2501 F CA -1.065 56.848 58.000 -0.145 0.000 0.953 2501 F CB 1.720 40.508 39.000 -0.353 0.000 1.227 2501 F HN 0.253 nan 8.300 nan 0.000 0.478 2502 V N 1.747 121.761 119.914 0.167 0.000 2.709 2502 V HA 0.973 5.092 4.120 -0.000 0.000 0.308 2502 V C -0.520 175.722 176.094 0.247 0.000 1.062 2502 V CA 0.276 62.737 62.300 0.269 0.000 0.901 2502 V CB 1.193 33.205 31.823 0.314 0.000 1.003 2502 V HN 0.963 nan 8.190 nan 0.000 0.425 2503 G N 5.418 114.384 108.800 0.277 0.000 2.474 2503 G HA2 0.430 4.390 3.960 -0.000 0.000 0.234 2503 G HA3 0.430 4.390 3.960 -0.000 0.000 0.234 2503 G C -1.579 173.360 174.900 0.065 0.000 1.204 2503 G CA -0.724 44.377 45.100 0.001 0.000 0.939 2503 G HN 0.757 nan 8.290 nan 0.000 0.491 2504 M N 0.240 119.688 119.600 -0.253 0.000 2.602 2504 M HA 0.789 5.269 4.480 -0.000 0.000 0.312 2504 M C -0.192 175.932 176.300 -0.292 0.000 1.181 2504 M CA -0.598 54.465 55.300 -0.395 0.000 0.910 2504 M CB 2.501 34.346 32.600 -1.258 0.000 1.723 2504 M HN 1.186 nan 8.290 nan 0.000 0.459 2505 A N 0.719 123.492 122.820 -0.079 0.000 2.601 2505 A HA 0.900 5.220 4.320 -0.000 0.000 0.291 2505 A C -1.213 176.460 177.584 0.149 0.000 1.075 2505 A CA -0.645 51.360 52.037 -0.053 0.000 0.671 2505 A CB 2.094 20.955 19.000 -0.231 0.000 1.277 2505 A HN 0.720 nan 8.150 nan 0.000 0.417 2506 T N 0.541 115.121 114.554 0.043 0.000 3.047 2506 T HA 0.586 4.935 4.350 -0.000 0.000 0.340 2506 T C -2.182 172.520 174.700 0.004 0.000 1.421 2506 T CA -0.422 61.713 62.100 0.059 0.000 1.090 2506 T CB 1.406 70.269 68.868 -0.008 0.000 1.292 2506 T HN 1.275 nan 8.240 nan 0.000 0.480 2507 Q N 2.919 122.751 119.800 0.053 0.000 2.389 2507 Q HA 0.525 4.865 4.340 -0.000 0.000 0.277 2507 Q C -1.808 174.259 176.000 0.111 0.000 1.082 2507 Q CA -0.899 54.923 55.803 0.031 0.000 0.810 2507 Q CB 2.233 30.968 28.738 -0.006 0.000 1.374 2507 Q HN 0.649 nan 8.270 nan 0.000 0.422 2508 D N 2.953 123.397 120.400 0.073 0.000 2.408 2508 D HA 0.267 4.907 4.640 -0.000 0.000 0.261 2508 D C 0.173 176.517 176.300 0.074 0.000 1.190 2508 D CA -0.373 53.701 54.000 0.123 0.000 0.910 2508 D CB 0.544 41.364 40.800 0.033 0.000 1.097 2508 D HN 0.631 nan 8.370 nan 0.000 0.522 2509 L N 2.004 123.272 121.223 0.074 0.000 2.622 2509 L HA -0.018 4.322 4.340 -0.000 0.000 0.233 2509 L C 1.993 178.848 176.870 -0.025 0.000 1.156 2509 L CA 0.409 55.254 54.840 0.009 0.000 0.866 2509 L CB -0.290 41.775 42.059 0.010 0.000 0.980 2509 L HN 0.262 nan 8.230 nan 0.000 0.448 2510 S N -1.345 114.354 115.700 -0.001 0.000 2.503 2510 S HA 0.185 4.655 4.470 -0.000 0.000 0.215 2510 S C 1.564 176.155 174.600 -0.014 0.000 1.003 2510 S CA 0.438 58.616 58.200 -0.036 0.000 0.910 2510 S CB 0.661 63.843 63.200 -0.030 0.000 0.790 2510 S HN 0.464 nan 8.310 nan 0.000 0.514 2511 G N 1.292 110.092 108.800 -0.001 0.000 2.157 2511 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.239 2511 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.239 2511 G C 0.752 175.642 174.900 -0.017 0.000 0.982 2511 G CA 0.627 45.716 45.100 -0.018 0.000 0.650 2511 G HN 1.115 nan 8.290 nan 0.000 0.527 2512 T N -0.924 113.624 114.554 -0.009 0.000 3.194 2512 T HA 0.330 4.680 4.350 -0.000 0.000 0.251 2512 T C 1.181 175.854 174.700 -0.045 0.000 1.132 2512 T CA 0.930 63.012 62.100 -0.030 0.000 1.028 2512 T CB -0.054 68.795 68.868 -0.032 0.000 0.976 2512 T HN 0.595 nan 8.240 nan 0.000 0.535 2513 K N 0.222 120.602 120.400 -0.034 0.000 3.035 2513 K HA -0.163 4.157 4.320 -0.000 0.000 0.262 2513 K C 0.084 176.666 176.600 -0.029 0.000 1.024 2513 K CA 0.632 56.909 56.287 -0.017 0.000 0.748 2513 K CB -1.639 30.861 32.500 0.000 0.000 1.247 2513 K HN 0.642 nan 8.250 nan 0.000 0.482 2514 K N 2.233 122.581 120.400 -0.086 0.000 2.472 2514 K HA 0.026 4.346 4.320 -0.000 0.000 0.280 2514 K C -2.113 174.513 176.600 0.045 0.000 1.028 2514 K CA -0.828 55.393 56.287 -0.111 0.000 1.045 2514 K CB 0.518 32.807 32.500 -0.350 0.000 0.902 2514 K HN -0.005 nan 8.250 nan 0.000 0.478 2515 P HA 0.208 nan 4.420 nan 0.000 0.282 2515 P C -1.468 175.939 177.300 0.179 0.000 1.249 2515 P CA -0.641 62.511 63.100 0.086 0.000 0.806 2515 P CB 1.603 33.319 31.700 0.028 0.000 0.984 2516 A N 2.324 125.204 122.820 0.100 0.000 2.335 2516 A HA 0.489 4.809 4.320 -0.000 0.000 0.304 2516 A C -0.908 176.611 177.584 -0.109 0.000 1.118 2516 A CA -0.552 51.464 52.037 -0.036 0.000 0.757 2516 A CB 0.657 19.476 19.000 -0.301 0.000 1.188 2516 A HN 0.379 nan 8.150 nan 0.000 0.460 2517 D N 2.079 122.375 120.400 -0.173 0.000 2.329 2517 D HA 0.462 5.102 4.640 -0.000 0.000 0.232 2517 D C -1.113 175.068 176.300 -0.199 0.000 1.088 2517 D CA 0.437 54.384 54.000 -0.088 0.000 0.835 2517 D CB 0.825 41.608 40.800 -0.027 0.000 1.078 2517 D HN 0.316 nan 8.370 nan 0.000 0.495 2518 F N 1.735 121.693 119.950 0.013 0.000 2.391 2518 F HA 0.172 4.699 4.527 -0.000 0.000 0.359 2518 F C 1.562 177.462 175.800 0.167 0.000 1.122 2518 F CA -0.717 57.310 58.000 0.045 0.000 1.120 2518 F CB 1.218 40.224 39.000 0.009 0.000 1.142 2518 F HN 0.111 nan 8.300 nan 0.000 0.483 2519 D N 2.185 122.734 120.400 0.249 0.000 2.183 2519 D HA -0.101 4.539 4.640 -0.000 0.000 0.203 2519 D C -0.122 176.422 176.300 0.406 0.000 0.969 2519 D CA 1.678 55.797 54.000 0.199 0.000 0.842 2519 D CB -0.009 40.878 40.800 0.144 0.000 0.957 2519 D HN 0.549 nan 8.370 nan 0.000 0.484 2520 Y N -2.617 117.928 120.300 0.408 0.000 2.774 2520 Y HA 0.527 5.077 4.550 -0.000 0.000 0.346 2520 Y C -2.109 174.010 175.900 0.364 0.000 1.222 2520 Y CA -1.972 56.257 58.100 0.214 0.000 1.088 2520 Y CB 0.667 39.165 38.460 0.063 0.000 1.354 2520 Y HN -0.209 nan 8.280 nan 0.000 0.455 2521 F N 1.926 122.038 119.950 0.270 0.000 2.574 2521 F HA 0.720 5.247 4.527 -0.000 0.000 0.313 2521 F C -0.975 175.042 175.800 0.362 0.000 1.130 2521 F CA -0.739 57.471 58.000 0.350 0.000 0.936 2521 F CB 1.803 41.059 39.000 0.428 0.000 1.219 2521 F HN 0.790 nan 8.300 nan 0.000 0.445 2522 R N 4.787 125.333 120.500 0.076 0.000 2.562 2522 R HA 0.445 4.785 4.340 -0.000 0.000 0.298 2522 R C -2.201 174.189 176.300 0.150 0.000 0.961 2522 R CA -0.799 55.394 56.100 0.156 0.000 0.881 2522 R CB 1.656 32.023 30.300 0.111 0.000 1.159 2522 R HN 0.776 nan 8.270 nan 0.000 0.450 2523 Y N 3.818 124.194 120.300 0.126 0.000 2.327 2523 Y HA 0.370 4.920 4.550 -0.000 0.000 0.325 2523 Y C -1.470 174.451 175.900 0.035 0.000 0.999 2523 Y CA -0.683 57.488 58.100 0.119 0.000 1.195 2523 Y CB 1.118 39.676 38.460 0.163 0.000 1.132 2523 Y HN 0.467 nan 8.280 nan 0.000 0.455 2524 K N 5.839 125.931 120.400 -0.513 0.000 2.471 2524 K HA 0.391 4.711 4.320 -0.000 0.000 0.252 2524 K C -1.054 175.245 176.600 -0.501 0.000 0.938 2524 K CA -0.498 55.536 56.287 -0.422 0.000 0.796 2524 K CB 1.519 33.898 32.500 -0.201 0.000 1.161 2524 K HN 0.821 nan 8.250 nan 0.000 0.425 2525 E N 0.000 119.958 120.200 -0.403 0.000 2.725 2525 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 2525 E CA 0.000 56.257 56.400 -0.238 0.000 0.976 2525 E CB 0.000 29.615 29.700 -0.142 0.000 0.812 2525 E HN 0.000 nan 8.360 nan 0.000 0.440