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 1zyz_1_A DATA FIRST_RESID 15 DATA SEQUENCE FDKITARISR LCYGLDPKHI DAVKVTQRII SXXXXXXTTI ELDNLAAETC DATA SEQUENCE AYMTTVHPDY ATLAARIAIS NLHKQTTKQF SKVVEDLYRY VNAATGKPAP DATA SEQUENCE MISDDVYNIV MENKDKLNSA IVYDRDFQYS YFGFKTLERS YLLRINGQVA DATA SEQUENCE ERPQHLIMRV ALGIHGRDIE AALETYNLMS LKYFTHASPT LFNAGTPKPQ DATA SEQUENCE MSSCFLVAMK EDSIEGIYDT LKECALISKT AGGIGLHIHN IRSTGSYIAG DATA SEQUENCE TNGTSNGLIP MIRVFNNTAR YVDQGGNKRP GAFALYLEPW HADIFDFIDI DATA SEQUENCE RKNHGKEEIR ARDLFPALWI PDLFMKRVEE NGTWTLFSPT SAPGLSDCYG DATA SEQUENCE DEFEALYTRY EKEGRGKTIK AQKLWYSILE AQTETGTPFV VYKDACNRKS DATA SEQUENCE NQKNLGVIKS SNLCCEIVEY SAPDETAVCN LASVALPAFI ETSEDGKTST DATA SEQUENCE YNFKKLHEIA KVVTRNLNRV IDRNYYPVEE ARKSNMRHRP IALGVQGLAD DATA SEQUENCE TFMLLRLPFD SEEARLLNIQ IFETIYHASM EASCELAQKD GPYETFQGSP DATA SEQUENCE ASQGILQFDM WDQKPYGMWD WDTLRKDIMK HGVRNSLTMA PMPTASTSQI DATA SEQUENCE LGYNECFEPV TSNMYSRRVL SGEFQVVNPY LLRDLVDLGI WDEGMKQYLI DATA SEQUENCE TQNGSIQGLP NVPQELKDLY KTVWEISQKT IINMAADRSV YIDQSHSLNL DATA SEQUENCE FLRAPTMGKL TSMHFYGWKK GLKTGMYYLR TQAASAAIQF TIDQKIADQA DATA SEQUENCE TENVADISNL KRPSYMPSSA SYAASDFVPA AV 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 15 F HA 0.000 nan 4.527 nan 0.000 0.279 15 F C 0.000 175.803 175.800 0.005 0.000 0.967 15 F CA 0.000 58.003 58.000 0.004 0.000 1.383 15 F CB 0.000 39.003 39.000 0.004 0.000 1.145 16 D N 2.586 122.575 120.400 -0.684 0.000 2.350 16 D HA 0.366 5.006 4.640 -0.000 0.000 0.245 16 D C -1.026 175.072 176.300 -0.337 0.000 1.036 16 D CA -0.421 53.323 54.000 -0.427 0.000 0.848 16 D CB 2.465 43.023 40.800 -0.402 0.000 1.307 16 D HN 0.471 nan 8.370 nan 0.000 0.469 17 K N 2.722 123.032 120.400 -0.150 0.000 2.972 17 K HA 0.132 4.452 4.320 -0.000 0.000 0.187 17 K C 1.351 177.914 176.600 -0.061 0.000 1.122 17 K CA -0.087 56.143 56.287 -0.095 0.000 1.080 17 K CB 0.260 32.736 32.500 -0.039 0.000 0.720 17 K HN 0.652 nan 8.250 nan 0.000 0.429 18 I N -2.249 118.278 120.570 -0.072 0.000 2.530 18 I HA -0.187 3.983 4.170 -0.000 0.000 0.257 18 I C 1.421 177.514 176.117 -0.039 0.000 1.179 18 I CA 1.335 62.607 61.300 -0.047 0.000 1.440 18 I CB -0.738 37.232 38.000 -0.050 0.000 1.087 18 I HN -0.151 nan 8.210 nan 0.000 0.440 19 T N 1.528 116.053 114.554 -0.049 0.000 2.792 19 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 19 T C 2.011 176.697 174.700 -0.024 0.000 1.059 19 T CA 1.750 63.829 62.100 -0.036 0.000 1.136 19 T CB -0.438 68.406 68.868 -0.040 0.000 0.846 19 T HN 0.697 nan 8.240 nan 0.000 0.489 20 A N 1.666 124.474 122.820 -0.021 0.000 1.854 20 A HA -0.040 4.280 4.320 -0.000 0.000 0.214 20 A C 2.374 179.956 177.584 -0.005 0.000 1.192 20 A CA 1.299 53.330 52.037 -0.010 0.000 0.611 20 A CB -0.496 18.500 19.000 -0.006 0.000 0.832 20 A HN 0.416 nan 8.150 nan 0.000 0.442 21 R N -0.699 119.798 120.500 -0.005 0.000 2.103 21 R HA -0.151 4.189 4.340 -0.000 0.000 0.242 21 R C 1.845 178.146 176.300 0.001 0.000 1.142 21 R CA 1.791 57.892 56.100 0.002 0.000 0.960 21 R CB -0.546 29.755 30.300 0.001 0.000 0.858 21 R HN 0.532 nan 8.270 nan 0.000 0.439 22 I N 0.191 120.755 120.570 -0.010 0.000 2.193 22 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 22 I C 2.343 178.444 176.117 -0.026 0.000 1.084 22 I CA 1.521 62.810 61.300 -0.018 0.000 1.365 22 I CB -0.316 37.671 38.000 -0.021 0.000 1.064 22 I HN 0.152 nan 8.210 nan 0.000 0.410 23 S N 0.266 115.953 115.700 -0.021 0.000 2.507 23 S HA -0.148 4.322 4.470 -0.000 0.000 0.235 23 S C 2.105 176.702 174.600 -0.005 0.000 0.988 23 S CA 0.589 58.775 58.200 -0.024 0.000 0.944 23 S CB -0.570 62.619 63.200 -0.019 0.000 0.762 23 S HN 0.340 nan 8.310 nan 0.000 0.526 24 R N 0.667 121.174 120.500 0.011 0.000 2.115 24 R HA 0.180 4.520 4.340 -0.000 0.000 0.230 24 R C 1.452 177.808 176.300 0.095 0.000 1.111 24 R CA 1.146 57.272 56.100 0.044 0.000 0.976 24 R CB -0.335 29.986 30.300 0.036 0.000 0.870 24 R HN 0.450 nan 8.270 nan 0.000 0.445 25 L N 0.271 121.512 121.223 0.030 0.000 2.612 25 L HA 0.120 4.460 4.340 -0.000 0.000 0.230 25 L C -0.180 176.505 176.870 -0.308 0.000 1.140 25 L CA -0.475 54.352 54.840 -0.022 0.000 0.896 25 L CB 0.430 42.459 42.059 -0.050 0.000 1.065 25 L HN 0.204 nan 8.230 nan 0.000 0.447 26 C N 0.088 119.262 119.300 -0.209 0.000 2.322 26 C HA 0.701 5.161 4.460 -0.000 0.000 0.324 26 C C -0.571 174.320 174.990 -0.166 0.000 1.284 26 C CA -1.133 57.687 59.018 -0.330 0.000 1.606 26 C CB -0.760 26.861 27.740 -0.198 0.000 2.251 26 C HN 0.367 nan 8.230 nan 0.000 0.502 27 Y N -0.548 119.706 120.300 -0.076 0.000 2.348 27 Y HA 0.660 5.210 4.550 -0.000 0.000 0.321 27 Y C 0.420 176.287 175.900 -0.054 0.000 1.163 27 Y CA -0.414 57.646 58.100 -0.065 0.000 1.070 27 Y CB 0.706 39.122 38.460 -0.073 0.000 1.250 27 Y HN 1.307 nan 8.280 nan 0.000 0.425 28 G N 1.605 110.452 108.800 0.078 0.000 2.132 28 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.234 28 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.234 28 G C -0.184 174.709 174.900 -0.012 0.000 0.989 28 G CA 0.136 45.256 45.100 0.032 0.000 0.676 28 G HN 1.012 nan 8.290 nan 0.000 0.522 29 L N -2.059 119.140 121.223 -0.039 0.000 2.776 29 L HA 0.924 5.264 4.340 -0.000 0.000 0.165 29 L C 0.468 177.314 176.870 -0.041 0.000 1.145 29 L CA -0.414 54.386 54.840 -0.066 0.000 1.230 29 L CB -0.140 41.858 42.059 -0.102 0.000 2.044 29 L HN 0.184 nan 8.230 nan 0.000 0.484 30 D N -2.325 118.024 120.400 -0.086 0.000 2.400 30 D HA 0.186 4.826 4.640 -0.000 0.000 0.197 30 D C -2.477 173.724 176.300 -0.166 0.000 1.295 30 D CA -0.754 53.143 54.000 -0.172 0.000 0.878 30 D CB 1.864 42.430 40.800 -0.391 0.000 1.659 30 D HN 0.249 nan 8.370 nan 0.000 0.546 31 P HA -0.104 nan 4.420 nan 0.000 0.226 31 P C 1.115 178.371 177.300 -0.073 0.000 1.146 31 P CA 0.647 63.697 63.100 -0.085 0.000 0.773 31 P CB 0.440 32.102 31.700 -0.064 0.000 0.772 32 K N -1.204 119.125 120.400 -0.119 0.000 2.202 32 K HA -0.012 4.308 4.320 -0.000 0.000 0.201 32 K C 1.896 178.488 176.600 -0.012 0.000 1.051 32 K CA 0.945 57.187 56.287 -0.075 0.000 0.977 32 K CB -0.469 31.966 32.500 -0.108 0.000 0.792 32 K HN 0.302 nan 8.250 nan 0.000 0.469 33 H N -0.193 118.786 119.070 -0.152 0.000 2.387 33 H HA -0.066 4.490 4.556 0.000 0.000 0.299 33 H C 1.916 177.144 175.328 -0.167 0.000 1.090 33 H CA 1.018 56.881 56.048 -0.307 0.000 1.332 33 H CB 0.435 29.828 29.762 -0.615 0.000 1.386 33 H HN 0.081 nan 8.280 nan 0.000 0.516 34 I N 0.088 120.637 120.570 -0.034 0.000 3.341 34 I HA -0.058 4.112 4.170 -0.000 0.000 0.243 34 I C -0.199 175.948 176.117 0.050 0.000 1.094 34 I CA 0.658 61.873 61.300 -0.141 0.000 1.507 34 I CB 0.136 37.969 38.000 -0.277 0.000 1.441 34 I HN 0.172 nan 8.210 nan 0.000 0.465 35 D N 0.892 121.299 120.400 0.012 0.000 3.620 35 D HA -0.155 4.485 4.640 -0.000 0.000 0.237 35 D C 1.025 177.357 176.300 0.054 0.000 1.111 35 D CA 0.757 54.781 54.000 0.040 0.000 1.070 35 D CB -0.272 40.571 40.800 0.072 0.000 0.891 35 D HN 0.474 nan 8.370 nan 0.000 0.412 36 A N 1.758 124.585 122.820 0.011 0.000 2.024 36 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 36 A C 2.378 179.972 177.584 0.017 0.000 1.164 36 A CA 1.688 53.731 52.037 0.010 0.000 0.643 36 A CB -0.104 18.886 19.000 -0.016 0.000 0.806 36 A HN 0.512 nan 8.150 nan 0.000 0.451 37 V N 0.326 120.248 119.914 0.014 0.000 2.255 37 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 37 V C 2.490 178.594 176.094 0.017 0.000 1.051 37 V CA 2.145 64.449 62.300 0.008 0.000 1.018 37 V CB -0.698 31.129 31.823 0.008 0.000 0.641 37 V HN 0.411 nan 8.190 nan 0.000 0.445 38 K N 0.162 120.586 120.400 0.040 0.000 2.152 38 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 38 K C 2.130 178.752 176.600 0.036 0.000 1.048 38 K CA 1.202 57.515 56.287 0.043 0.000 0.933 38 K CB -0.722 31.820 32.500 0.069 0.000 0.721 38 K HN 0.463 nan 8.250 nan 0.000 0.447 39 V N 1.222 121.169 119.914 0.056 0.000 2.343 39 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 39 V C 2.202 178.296 176.094 -0.000 0.000 1.051 39 V CA 2.277 64.603 62.300 0.043 0.000 1.036 39 V CB -0.943 30.922 31.823 0.071 0.000 0.654 39 V HN 0.361 nan 8.190 nan 0.000 0.451 40 T N -0.647 113.901 114.554 -0.011 0.000 2.788 40 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 40 T C 1.892 176.572 174.700 -0.034 0.000 1.044 40 T CA 1.464 63.543 62.100 -0.036 0.000 1.139 40 T CB -0.278 68.558 68.868 -0.054 0.000 0.867 40 T HN 0.529 nan 8.240 nan 0.000 0.454 41 Q N 0.551 120.339 119.800 -0.021 0.000 2.084 41 Q HA -0.007 4.333 4.340 -0.000 0.000 0.202 41 Q C 2.383 178.376 176.000 -0.012 0.000 0.978 41 Q CA 1.006 56.801 55.803 -0.014 0.000 0.844 41 Q CB -0.173 28.563 28.738 -0.003 0.000 0.898 41 Q HN 0.347 nan 8.270 nan 0.000 0.426 42 R N 0.815 121.307 120.500 -0.013 0.000 2.357 42 R HA -0.012 4.328 4.340 -0.000 0.000 0.202 42 R C 0.634 176.921 176.300 -0.023 0.000 1.047 42 R CA 0.306 56.398 56.100 -0.013 0.000 1.034 42 R CB 0.058 30.348 30.300 -0.017 0.000 0.875 42 R HN 0.231 nan 8.270 nan 0.000 0.473 43 I N 2.322 122.874 120.570 -0.029 0.000 3.832 43 I HA 0.084 4.254 4.170 -0.000 0.000 0.324 43 I C -0.111 175.993 176.117 -0.021 0.000 1.447 43 I CA -0.356 60.923 61.300 -0.034 0.000 1.242 43 I CB -0.142 37.832 38.000 -0.043 0.000 1.212 43 I HN 0.045 nan 8.210 nan 0.000 0.415 44 I N -0.221 120.342 120.570 -0.011 0.000 2.691 44 I HA 0.084 4.254 4.170 -0.000 0.000 0.288 44 I C 0.389 176.507 176.117 0.001 0.000 1.143 44 I CA 0.521 61.821 61.300 -0.001 0.000 1.364 44 I CB -0.506 37.497 38.000 0.005 0.000 1.435 44 I HN 0.105 nan 8.210 nan 0.000 0.551 53 T N 2.553 117.116 114.554 0.015 0.000 2.867 53 T HA 0.207 4.557 4.350 -0.000 0.000 0.268 53 T C 1.794 176.502 174.700 0.013 0.000 1.057 53 T CA 0.967 63.075 62.100 0.013 0.000 1.136 53 T CB -0.271 68.607 68.868 0.016 0.000 0.874 53 T HN 0.311 nan 8.240 nan 0.000 0.466 54 I N 1.471 122.050 120.570 0.016 0.000 2.439 54 I HA -0.071 4.099 4.170 -0.000 0.000 0.251 54 I C 2.132 178.257 176.117 0.015 0.000 1.139 54 I CA 1.285 62.596 61.300 0.019 0.000 1.438 54 I CB -0.444 37.571 38.000 0.024 0.000 1.085 54 I HN 0.162 nan 8.210 nan 0.000 0.427 55 E N 0.840 121.047 120.200 0.011 0.000 2.118 55 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 55 E C 2.261 178.859 176.600 -0.002 0.000 0.992 55 E CA 1.130 57.533 56.400 0.006 0.000 0.804 55 E CB -0.421 29.282 29.700 0.005 0.000 0.741 55 E HN 0.520 nan 8.360 nan 0.000 0.458 56 L N 0.984 122.205 121.223 -0.004 0.000 2.056 56 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 56 L C 1.999 178.860 176.870 -0.016 0.000 1.078 56 L CA 1.133 55.965 54.840 -0.013 0.000 0.749 56 L CB -0.571 41.480 42.059 -0.014 0.000 0.901 56 L HN -0.056 nan 8.230 nan 0.000 0.433 57 D N 0.475 120.872 120.400 -0.004 0.000 2.144 57 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 57 D C 1.902 178.205 176.300 0.005 0.000 0.984 57 D CA 1.123 55.123 54.000 0.000 0.000 0.834 57 D CB -0.277 40.530 40.800 0.011 0.000 0.955 57 D HN 0.308 nan 8.370 nan 0.000 0.465 58 N N 0.722 119.428 118.700 0.011 0.000 2.043 58 N HA -0.104 4.636 4.740 -0.000 0.000 0.193 58 N C 2.057 177.557 175.510 -0.018 0.000 1.037 58 N CA 0.677 53.739 53.050 0.020 0.000 0.851 58 N CB -0.521 37.978 38.487 0.019 0.000 1.027 58 N HN 0.177 nan 8.380 nan 0.000 0.422 59 L N 0.077 121.274 121.223 -0.044 0.000 2.083 59 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 59 L C 2.309 179.110 176.870 -0.115 0.000 1.083 59 L CA 1.139 55.923 54.840 -0.093 0.000 0.752 59 L CB -0.559 41.456 42.059 -0.073 0.000 0.899 59 L HN 0.164 nan 8.230 nan 0.000 0.433 60 A N 0.053 122.830 122.820 -0.073 0.000 1.940 60 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 60 A C 2.480 180.010 177.584 -0.089 0.000 1.176 60 A CA 1.881 53.877 52.037 -0.068 0.000 0.631 60 A CB -0.584 18.393 19.000 -0.038 0.000 0.814 60 A HN 0.416 nan 8.150 nan 0.000 0.446 61 A N -0.811 121.964 122.820 -0.076 0.000 1.975 61 A HA 0.036 4.356 4.320 -0.000 0.000 0.215 61 A C 1.870 179.253 177.584 -0.335 0.000 1.170 61 A CA 1.209 53.184 52.037 -0.102 0.000 0.656 61 A CB -0.307 18.763 19.000 0.117 0.000 0.821 61 A HN 0.586 nan 8.150 nan 0.000 0.449 62 E N -0.149 119.874 120.200 -0.296 0.000 2.007 62 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 62 E C 2.317 178.472 176.600 -0.742 0.000 0.999 62 E CA 2.125 58.220 56.400 -0.509 0.000 0.811 62 E CB -0.295 29.162 29.700 -0.406 0.000 0.762 62 E HN 0.782 nan 8.360 nan 0.000 0.450 63 T N -0.840 113.388 114.554 -0.544 0.000 2.788 63 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 63 T C 2.253 176.791 174.700 -0.271 0.000 1.044 63 T CA 1.152 62.989 62.100 -0.438 0.000 1.139 63 T CB -0.892 67.840 68.868 -0.225 0.000 0.867 63 T HN 0.237 nan 8.240 nan 0.000 0.454 64 C N 1.484 120.659 119.300 -0.208 0.000 2.437 64 C HA 0.427 4.887 4.460 -0.000 0.000 0.283 64 C C 3.125 178.076 174.990 -0.064 0.000 1.424 64 C CA 0.244 59.235 59.018 -0.045 0.000 1.782 64 C CB -1.838 25.894 27.740 -0.012 0.000 1.833 64 C HN 0.705 nan 8.230 nan 0.000 0.532 65 A N -1.402 121.237 122.820 -0.300 0.000 1.878 65 A HA -0.013 4.307 4.320 -0.000 0.000 0.213 65 A C 1.951 179.566 177.584 0.052 0.000 1.192 65 A CA 1.097 52.997 52.037 -0.228 0.000 0.619 65 A CB -1.107 17.496 19.000 -0.661 0.000 0.837 65 A HN 0.704 nan 8.150 nan 0.000 0.446 66 Y N -0.190 119.771 120.300 -0.566 0.000 2.271 66 Y HA -0.278 4.272 4.550 0.000 0.000 0.284 66 Y C 1.922 177.806 175.900 -0.027 0.000 1.189 66 Y CA 1.143 58.880 58.100 -0.605 0.000 1.229 66 Y CB -0.360 37.803 38.460 -0.494 0.000 0.973 66 Y HN 0.290 nan 8.280 nan 0.000 0.537 67 M N -0.676 118.939 119.600 0.026 0.000 2.530 67 M HA 0.002 4.482 4.480 -0.000 0.000 0.231 67 M C 1.325 177.589 176.300 -0.060 0.000 1.180 67 M CA 0.277 55.451 55.300 -0.209 0.000 0.985 67 M CB 0.033 32.109 32.600 -0.874 0.000 1.623 67 M HN 0.003 nan 8.290 nan 0.000 0.475 68 T N 0.135 114.818 114.554 0.214 0.000 2.833 68 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 68 T C 1.923 176.623 174.700 -0.001 0.000 1.054 68 T CA 1.886 64.088 62.100 0.169 0.000 1.135 68 T CB -0.193 68.814 68.868 0.232 0.000 0.869 68 T HN 0.414 nan 8.240 nan 0.000 0.466 69 T N 1.961 116.553 114.554 0.063 0.000 2.622 69 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 69 T C 2.176 176.982 174.700 0.176 0.000 1.047 69 T CA 1.359 63.526 62.100 0.112 0.000 1.159 69 T CB -0.618 68.396 68.868 0.243 0.000 0.863 69 T HN 0.158 nan 8.240 nan 0.000 0.422 70 V N -0.006 119.986 119.914 0.130 0.000 2.220 70 V HA -0.130 3.990 4.120 -0.000 0.000 0.250 70 V C 1.131 177.380 176.094 0.258 0.000 1.056 70 V CA 1.868 64.261 62.300 0.155 0.000 1.016 70 V CB -0.447 31.323 31.823 -0.088 0.000 0.639 70 V HN 0.610 nan 8.190 nan 0.000 0.446 71 H N -0.417 118.751 119.070 0.163 0.000 2.894 71 H HA 0.354 4.910 4.556 0.000 0.000 0.367 71 H C -2.189 173.195 175.328 0.093 0.000 1.144 71 H CA -1.660 54.468 56.048 0.134 0.000 1.180 71 H CB 2.476 32.360 29.762 0.204 0.000 1.758 71 H HN -0.142 nan 8.280 nan 0.000 0.541 72 P HA -0.114 nan 4.420 nan 0.000 0.223 72 P C 0.187 177.424 177.300 -0.105 0.000 1.144 72 P CA 1.023 63.918 63.100 -0.341 0.000 0.783 72 P CB 0.470 31.877 31.700 -0.489 0.000 0.771 73 D N -1.783 118.651 120.400 0.057 0.000 2.363 73 D HA -0.040 4.600 4.640 -0.000 0.000 0.226 73 D C 1.424 177.684 176.300 -0.066 0.000 1.020 73 D CA 0.431 54.472 54.000 0.068 0.000 0.892 73 D CB -0.614 40.279 40.800 0.154 0.000 0.900 73 D HN 0.249 nan 8.370 nan 0.000 0.531 74 Y N 0.398 120.729 120.300 0.051 0.000 2.420 74 Y HA 0.069 4.619 4.550 -0.000 0.000 0.292 74 Y C 2.343 178.241 175.900 -0.003 0.000 1.119 74 Y CA 0.615 58.729 58.100 0.024 0.000 1.229 74 Y CB -0.012 38.477 38.460 0.049 0.000 1.026 74 Y HN -0.042 nan 8.280 nan 0.000 0.554 75 A N -0.062 122.847 122.820 0.149 0.000 1.851 75 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 75 A C 2.247 179.863 177.584 0.053 0.000 1.195 75 A CA 2.540 54.643 52.037 0.110 0.000 0.622 75 A CB -1.300 17.769 19.000 0.116 0.000 0.831 75 A HN 0.392 nan 8.150 nan 0.000 0.444 76 T N 0.375 114.935 114.554 0.011 0.000 2.759 76 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 76 T C 1.784 176.449 174.700 -0.059 0.000 1.042 76 T CA 1.287 63.371 62.100 -0.028 0.000 1.140 76 T CB -0.275 68.551 68.868 -0.070 0.000 0.864 76 T HN 0.221 nan 8.240 nan 0.000 0.455 77 L N 1.006 122.178 121.223 -0.086 0.000 2.056 77 L HA 0.086 4.426 4.340 -0.000 0.000 0.207 77 L C 2.740 179.583 176.870 -0.045 0.000 1.078 77 L CA 1.885 56.659 54.840 -0.110 0.000 0.749 77 L CB -1.442 40.522 42.059 -0.159 0.000 0.901 77 L HN 0.296 nan 8.230 nan 0.000 0.433 78 A N -0.708 122.098 122.820 -0.024 0.000 1.968 78 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 78 A C 2.456 180.110 177.584 0.117 0.000 1.169 78 A CA 1.342 53.350 52.037 -0.048 0.000 0.638 78 A CB -0.502 18.330 19.000 -0.281 0.000 0.812 78 A HN 0.460 nan 8.150 nan 0.000 0.446 79 A N 0.625 123.516 122.820 0.120 0.000 1.851 79 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 79 A C 2.226 179.834 177.584 0.040 0.000 1.195 79 A CA 1.566 53.665 52.037 0.104 0.000 0.622 79 A CB -0.597 18.459 19.000 0.094 0.000 0.831 79 A HN 0.481 nan 8.150 nan 0.000 0.444 80 R N -0.203 120.355 120.500 0.097 0.000 2.133 80 R HA -0.211 4.129 4.340 -0.000 0.000 0.245 80 R C 2.080 178.447 176.300 0.111 0.000 1.137 80 R CA 1.906 58.122 56.100 0.194 0.000 0.947 80 R CB -1.190 29.122 30.300 0.020 0.000 0.865 80 R HN 0.646 nan 8.270 nan 0.000 0.437 81 I N 1.122 121.713 120.570 0.035 0.000 2.099 81 I HA -0.296 3.874 4.170 -0.000 0.000 0.239 81 I C 2.806 178.906 176.117 -0.029 0.000 1.066 81 I CA 1.635 62.944 61.300 0.015 0.000 1.324 81 I CB -0.649 37.358 38.000 0.011 0.000 1.037 81 I HN 0.178 nan 8.210 nan 0.000 0.401 82 A N 0.992 123.788 122.820 -0.040 0.000 1.908 82 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 82 A C 2.257 179.553 177.584 -0.480 0.000 1.181 82 A CA 1.605 53.555 52.037 -0.145 0.000 0.627 82 A CB -0.638 18.302 19.000 -0.100 0.000 0.818 82 A HN 0.338 nan 8.150 nan 0.000 0.445 83 I N 0.366 120.550 120.570 -0.642 0.000 2.094 83 I HA -0.161 4.009 4.170 -0.000 0.000 0.234 83 I C 2.816 178.514 176.117 -0.697 0.000 1.063 83 I CA 2.076 62.815 61.300 -0.935 0.000 1.328 83 I CB -1.607 35.698 38.000 -1.159 0.000 1.058 83 I HN 0.516 nan 8.210 nan 0.000 0.400 84 S N 0.684 116.188 115.700 -0.326 0.000 2.547 84 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 84 S C 1.632 176.211 174.600 -0.035 0.000 0.980 84 S CA 0.881 59.022 58.200 -0.098 0.000 0.941 84 S CB -0.677 62.659 63.200 0.228 0.000 0.763 84 S HN 0.412 nan 8.310 nan 0.000 0.532 85 N N 1.196 119.848 118.700 -0.081 0.000 2.173 85 N HA -0.026 4.714 4.740 -0.000 0.000 0.184 85 N C 1.914 177.427 175.510 0.005 0.000 1.025 85 N CA 1.219 54.258 53.050 -0.018 0.000 0.852 85 N CB -0.313 38.165 38.487 -0.014 0.000 0.998 85 N HN 0.405 nan 8.380 nan 0.000 0.427 86 L N 1.584 122.782 121.223 -0.042 0.000 2.042 86 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 86 L C 1.939 178.886 176.870 0.128 0.000 1.076 86 L CA 1.978 56.850 54.840 0.054 0.000 0.749 86 L CB -1.349 40.751 42.059 0.070 0.000 0.893 86 L HN 0.239 nan 8.230 nan 0.000 0.432 87 H N 1.031 120.077 119.070 -0.040 0.000 2.265 87 H HA -0.170 4.386 4.556 -0.000 0.000 0.295 87 H C 2.320 177.645 175.328 -0.006 0.000 1.084 87 H CA 1.903 57.934 56.048 -0.029 0.000 1.261 87 H CB -0.343 29.409 29.762 -0.016 0.000 1.360 87 H HN 0.325 nan 8.280 nan 0.000 0.487 88 K N 0.268 120.759 120.400 0.150 0.000 2.077 88 K HA -0.214 4.106 4.320 -0.000 0.000 0.213 88 K C 1.247 177.885 176.600 0.064 0.000 1.051 88 K CA 1.896 58.234 56.287 0.085 0.000 0.929 88 K CB -0.197 32.344 32.500 0.067 0.000 0.715 88 K HN 0.584 nan 8.250 nan 0.000 0.451 89 Q N 0.475 120.317 119.800 0.070 0.000 2.526 89 Q HA 0.214 4.554 4.340 -0.000 0.000 0.353 89 Q C -0.639 175.400 176.000 0.066 0.000 0.977 89 Q CA -0.246 55.592 55.803 0.059 0.000 1.027 89 Q CB 1.062 29.832 28.738 0.053 0.000 1.272 89 Q HN -0.161 nan 8.270 nan 0.000 0.420 90 T N 0.023 114.616 114.554 0.065 0.000 3.087 90 T HA 0.191 4.541 4.350 -0.000 0.000 0.351 90 T C -1.010 173.720 174.700 0.051 0.000 1.520 90 T CA -0.485 61.660 62.100 0.076 0.000 1.111 90 T CB 1.852 70.787 68.868 0.112 0.000 1.353 90 T HN 0.229 nan 8.240 nan 0.000 0.481 91 T N 3.810 118.404 114.554 0.066 0.000 2.769 91 T HA 0.149 4.499 4.350 -0.000 0.000 0.293 91 T C 1.501 176.223 174.700 0.037 0.000 0.931 91 T CA -0.060 62.062 62.100 0.037 0.000 1.139 91 T CB 0.920 69.808 68.868 0.034 0.000 0.881 91 T HN 0.629 nan 8.240 nan 0.000 0.532 92 K N 3.221 123.571 120.400 -0.083 0.000 2.074 92 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 92 K C 1.147 177.666 176.600 -0.136 0.000 1.048 92 K CA 1.283 57.408 56.287 -0.271 0.000 0.926 92 K CB 0.136 32.432 32.500 -0.339 0.000 0.713 92 K HN 0.671 nan 8.250 nan 0.000 0.444 93 Q N 0.040 119.835 119.800 -0.010 0.000 2.274 93 Q HA 0.012 4.352 4.340 -0.000 0.000 0.256 93 Q C 0.474 176.505 176.000 0.051 0.000 0.927 93 Q CA -0.473 55.379 55.803 0.082 0.000 0.939 93 Q CB 0.709 29.470 28.738 0.039 0.000 1.201 93 Q HN 0.254 nan 8.270 nan 0.000 0.426 94 F N 3.634 123.565 119.950 -0.031 0.000 2.065 94 F HA -0.299 4.228 4.527 -0.000 0.000 0.298 94 F C 2.188 177.878 175.800 -0.183 0.000 1.112 94 F CA 2.530 60.375 58.000 -0.259 0.000 1.212 94 F CB -0.509 38.465 39.000 -0.043 0.000 0.975 94 F HN 0.760 nan 8.300 nan 0.000 0.476 95 S N 0.065 115.638 115.700 -0.213 0.000 2.383 95 S HA -0.257 4.213 4.470 -0.000 0.000 0.229 95 S C 1.889 176.356 174.600 -0.221 0.000 1.030 95 S CA 1.483 59.507 58.200 -0.293 0.000 1.002 95 S CB -0.794 62.336 63.200 -0.116 0.000 0.829 95 S HN 0.600 nan 8.310 nan 0.000 0.467 96 K N 0.953 121.269 120.400 -0.140 0.000 2.062 96 K HA 0.071 4.391 4.320 -0.000 0.000 0.205 96 K C 2.168 178.709 176.600 -0.099 0.000 1.051 96 K CA 1.219 57.458 56.287 -0.080 0.000 0.941 96 K CB -0.658 31.818 32.500 -0.040 0.000 0.719 96 K HN 0.265 nan 8.250 nan 0.000 0.440 97 V N 1.723 121.532 119.914 -0.175 0.000 2.287 97 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 97 V C 2.369 178.365 176.094 -0.163 0.000 1.053 97 V CA 1.597 63.802 62.300 -0.159 0.000 1.027 97 V CB -0.472 31.212 31.823 -0.231 0.000 0.646 97 V HN 0.089 nan 8.190 nan 0.000 0.447 98 V N -0.049 119.673 119.914 -0.320 0.000 2.332 98 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 98 V C 2.497 178.612 176.094 0.036 0.000 1.055 98 V CA 2.296 64.463 62.300 -0.221 0.000 1.038 98 V CB -0.691 30.867 31.823 -0.443 0.000 0.651 98 V HN 0.613 nan 8.190 nan 0.000 0.450 99 E N 0.972 121.207 120.200 0.058 0.000 2.023 99 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 99 E C 1.817 178.485 176.600 0.113 0.000 1.003 99 E CA 2.039 58.545 56.400 0.176 0.000 0.809 99 E CB -0.445 29.329 29.700 0.124 0.000 0.755 99 E HN 0.615 nan 8.360 nan 0.000 0.449 100 D N -0.006 120.428 120.400 0.058 0.000 2.116 100 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 100 D C 2.041 178.389 176.300 0.080 0.000 0.998 100 D CA 1.297 55.333 54.000 0.060 0.000 0.836 100 D CB -0.353 40.473 40.800 0.043 0.000 0.951 100 D HN 0.272 nan 8.370 nan 0.000 0.449 101 L N -0.829 120.432 121.223 0.063 0.000 2.201 101 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 101 L C 2.279 179.210 176.870 0.102 0.000 1.105 101 L CA 0.674 55.549 54.840 0.057 0.000 0.775 101 L CB -0.303 41.777 42.059 0.034 0.000 0.913 101 L HN 0.055 nan 8.230 nan 0.000 0.440 102 Y N 0.492 120.760 120.300 -0.053 0.000 2.314 102 Y HA -0.024 4.526 4.550 -0.000 0.000 0.294 102 Y C 2.526 178.336 175.900 -0.150 0.000 1.119 102 Y CA 1.001 59.008 58.100 -0.156 0.000 1.179 102 Y CB 0.095 38.319 38.460 -0.393 0.000 1.025 102 Y HN -0.072 nan 8.280 nan 0.000 0.541 103 R N -0.385 120.048 120.500 -0.110 0.000 2.276 103 R HA -0.110 4.230 4.340 -0.000 0.000 0.203 103 R C -0.100 176.146 176.300 -0.091 0.000 1.017 103 R CA 0.018 56.028 56.100 -0.150 0.000 1.010 103 R CB -1.525 28.745 30.300 -0.050 0.000 0.900 103 R HN 0.362 nan 8.270 nan 0.000 0.469 104 Y N 1.778 121.998 120.300 -0.134 0.000 2.847 104 Y HA -0.126 4.424 4.550 -0.000 0.000 0.370 104 Y C -0.195 175.635 175.900 -0.116 0.000 1.335 104 Y CA -0.029 58.011 58.100 -0.099 0.000 1.693 104 Y CB 0.127 38.543 38.460 -0.074 0.000 1.209 104 Y HN -0.297 nan 8.280 nan 0.000 0.517 105 V N 6.983 126.584 119.914 -0.522 0.000 2.432 105 V HA 0.040 4.160 4.120 -0.000 0.000 0.275 105 V C 0.233 175.803 176.094 -0.873 0.000 1.043 105 V CA -1.067 60.927 62.300 -0.509 0.000 0.925 105 V CB 1.113 32.754 31.823 -0.303 0.000 0.985 105 V HN 0.746 nan 8.190 nan 0.000 0.466 106 N N 4.036 122.361 118.700 -0.624 0.000 2.429 106 N HA 0.101 4.841 4.740 -0.000 0.000 0.271 106 N C 1.263 176.582 175.510 -0.318 0.000 1.272 106 N CA 0.692 53.448 53.050 -0.490 0.000 0.921 106 N CB 1.178 39.576 38.487 -0.149 0.000 1.128 106 N HN 0.820 nan 8.380 nan 0.000 0.481 107 A N 3.937 126.589 122.820 -0.281 0.000 1.969 107 A HA -0.286 4.034 4.320 -0.000 0.000 0.223 107 A C 1.855 179.390 177.584 -0.083 0.000 1.218 107 A CA 2.488 54.449 52.037 -0.127 0.000 0.667 107 A CB -0.946 18.046 19.000 -0.013 0.000 0.826 107 A HN 0.763 nan 8.150 nan 0.000 0.472 108 A N -2.309 120.475 122.820 -0.060 0.000 2.288 108 A HA 0.304 4.624 4.320 -0.000 0.000 0.216 108 A C 1.816 179.371 177.584 -0.049 0.000 1.199 108 A CA 1.447 53.459 52.037 -0.042 0.000 0.891 108 A CB -0.199 18.789 19.000 -0.021 0.000 0.923 108 A HN 0.836 nan 8.150 nan 0.000 0.500 109 T N -5.210 109.306 114.554 -0.064 0.000 3.044 109 T HA 0.417 4.767 4.350 -0.000 0.000 0.260 109 T C 1.488 176.144 174.700 -0.073 0.000 1.019 109 T CA 1.062 63.126 62.100 -0.059 0.000 0.921 109 T CB 0.300 69.138 68.868 -0.049 0.000 1.053 109 T HN 1.442 nan 8.240 nan 0.000 0.533 110 G N 1.965 110.708 108.800 -0.094 0.000 2.284 110 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.268 110 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.268 110 G C 0.086 174.920 174.900 -0.109 0.000 0.980 110 G CA 0.722 45.764 45.100 -0.097 0.000 0.631 110 G HN 0.665 nan 8.290 nan 0.000 0.548 111 K N 0.825 121.160 120.400 -0.110 0.000 2.156 111 K HA 0.490 4.810 4.320 -0.000 0.000 0.250 111 K C -2.780 173.739 176.600 -0.134 0.000 0.955 111 K CA -2.104 54.120 56.287 -0.105 0.000 0.855 111 K CB 1.672 34.126 32.500 -0.076 0.000 1.101 111 K HN -0.086 nan 8.250 nan 0.000 0.434 112 P HA 0.015 nan 4.420 nan 0.000 0.264 112 P C -1.250 175.974 177.300 -0.125 0.000 1.229 112 P CA 0.024 63.028 63.100 -0.160 0.000 0.780 112 P CB 0.416 32.015 31.700 -0.168 0.000 0.808 113 A N 6.162 128.924 122.820 -0.097 0.000 2.786 113 A HA 0.507 4.827 4.320 -0.000 0.000 0.346 113 A C -2.393 175.232 177.584 0.068 0.000 1.265 113 A CA -1.535 50.505 52.037 0.005 0.000 0.858 113 A CB 0.304 19.354 19.000 0.083 0.000 1.118 113 A HN 0.286 nan 8.150 nan 0.000 0.482 114 P HA 0.335 nan 4.420 nan 0.000 0.278 114 P C 0.209 177.512 177.300 0.004 0.000 1.238 114 P CA -0.311 62.736 63.100 -0.087 0.000 0.794 114 P CB 1.209 32.724 31.700 -0.309 0.000 0.955 115 M N 0.749 120.371 119.600 0.037 0.000 2.308 115 M HA 0.210 4.690 4.480 -0.000 0.000 0.269 115 M C 0.239 176.586 176.300 0.078 0.000 1.040 115 M CA 0.204 55.521 55.300 0.029 0.000 1.024 115 M CB 0.412 32.995 32.600 -0.029 0.000 1.465 115 M HN 0.182 nan 8.290 nan 0.000 0.517 116 I N 0.605 121.271 120.570 0.160 0.000 2.525 116 I HA 0.262 4.432 4.170 -0.000 0.000 0.301 116 I C 0.735 176.982 176.117 0.216 0.000 0.992 116 I CA -0.623 60.785 61.300 0.178 0.000 1.162 116 I CB 1.604 39.715 38.000 0.185 0.000 1.332 116 I HN 0.119 nan 8.210 nan 0.000 0.458 117 S N 3.078 118.860 115.700 0.137 0.000 2.579 117 S HA 0.089 4.559 4.470 -0.000 0.000 0.275 117 S C 0.719 175.405 174.600 0.143 0.000 1.345 117 S CA -0.429 57.847 58.200 0.128 0.000 1.031 117 S CB 1.076 64.323 63.200 0.078 0.000 0.892 117 S HN 0.534 nan 8.310 nan 0.000 0.529 118 D N 1.215 121.719 120.400 0.174 0.000 2.123 118 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 118 D C 1.462 177.802 176.300 0.068 0.000 0.992 118 D CA 1.829 55.919 54.000 0.150 0.000 0.833 118 D CB -0.531 40.369 40.800 0.166 0.000 0.954 118 D HN 0.852 nan 8.370 nan 0.000 0.455 119 D N 0.222 120.662 120.400 0.067 0.000 2.087 119 D HA -0.140 4.500 4.640 -0.000 0.000 0.192 119 D C 2.032 178.345 176.300 0.021 0.000 0.993 119 D CA 1.030 55.058 54.000 0.046 0.000 0.828 119 D CB -0.107 40.727 40.800 0.056 0.000 0.968 119 D HN -0.012 nan 8.370 nan 0.000 0.448 120 V N -0.135 119.797 119.914 0.031 0.000 2.548 120 V HA -0.186 3.934 4.120 -0.000 0.000 0.249 120 V C 2.111 178.185 176.094 -0.032 0.000 1.055 120 V CA 1.579 63.893 62.300 0.022 0.000 1.065 120 V CB -0.850 31.009 31.823 0.059 0.000 0.681 120 V HN 0.319 nan 8.190 nan 0.000 0.462 121 Y N 1.982 122.150 120.300 -0.221 0.000 2.165 121 Y HA -0.260 4.290 4.550 -0.000 0.000 0.286 121 Y C 2.476 178.213 175.900 -0.273 0.000 1.155 121 Y CA 2.022 59.886 58.100 -0.394 0.000 1.164 121 Y CB -0.314 37.550 38.460 -0.992 0.000 0.978 121 Y HN 0.305 nan 8.280 nan 0.000 0.513 122 N N 0.531 119.086 118.700 -0.241 0.000 2.106 122 N HA -0.178 4.562 4.740 -0.000 0.000 0.188 122 N C 1.991 177.380 175.510 -0.201 0.000 1.029 122 N CA 1.965 54.877 53.050 -0.230 0.000 0.848 122 N CB -0.500 37.946 38.487 -0.068 0.000 1.007 122 N HN 0.444 nan 8.380 nan 0.000 0.423 123 I N 0.768 121.268 120.570 -0.116 0.000 2.194 123 I HA -0.245 3.925 4.170 -0.000 0.000 0.246 123 I C 2.203 178.265 176.117 -0.092 0.000 1.093 123 I CA 0.861 62.119 61.300 -0.071 0.000 1.355 123 I CB -0.312 37.680 38.000 -0.013 0.000 1.046 123 I HN -0.090 nan 8.210 nan 0.000 0.413 124 V N 0.292 120.124 119.914 -0.136 0.000 2.261 124 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 124 V C 2.524 178.501 176.094 -0.194 0.000 1.047 124 V CA 1.622 63.853 62.300 -0.115 0.000 1.015 124 V CB -0.470 31.250 31.823 -0.172 0.000 0.642 124 V HN 0.345 nan 8.190 nan 0.000 0.446 125 M N -0.347 119.027 119.600 -0.377 0.000 2.117 125 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 125 M C 2.110 178.293 176.300 -0.195 0.000 1.065 125 M CA 1.541 56.630 55.300 -0.352 0.000 1.114 125 M CB -1.419 30.836 32.600 -0.574 0.000 1.361 125 M HN 0.413 nan 8.290 nan 0.000 0.408 126 E N 0.151 120.250 120.200 -0.167 0.000 2.265 126 E HA -0.160 4.190 4.350 -0.000 0.000 0.196 126 E C 0.415 176.977 176.600 -0.063 0.000 0.996 126 E CA 0.925 57.268 56.400 -0.095 0.000 0.832 126 E CB -0.184 29.471 29.700 -0.074 0.000 0.756 126 E HN 0.600 nan 8.360 nan 0.000 0.491 127 N N -0.346 118.319 118.700 -0.058 0.000 2.351 127 N HA 0.025 4.765 4.740 -0.000 0.000 0.254 127 N C 0.642 176.144 175.510 -0.014 0.000 1.241 127 N CA -0.118 52.915 53.050 -0.029 0.000 0.883 127 N CB 0.655 39.133 38.487 -0.016 0.000 1.202 127 N HN 0.071 nan 8.380 nan 0.000 0.512 128 K N 0.082 120.466 120.400 -0.027 0.000 2.063 128 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 128 K C 0.499 177.110 176.600 0.018 0.000 1.048 128 K CA 1.670 57.956 56.287 -0.003 0.000 0.928 128 K CB 0.020 32.497 32.500 -0.037 0.000 0.713 128 K HN -0.077 nan 8.250 nan 0.000 0.442 129 D N 0.907 121.308 120.400 0.002 0.000 2.084 129 D HA -0.115 4.525 4.640 -0.000 0.000 0.196 129 D C 1.822 178.122 176.300 -0.001 0.000 0.985 129 D CA 1.173 55.176 54.000 0.005 0.000 0.826 129 D CB -0.093 40.706 40.800 -0.002 0.000 0.978 129 D HN 0.248 nan 8.370 nan 0.000 0.456 130 K N 0.070 120.464 120.400 -0.011 0.000 2.032 130 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 130 K C 1.895 178.468 176.600 -0.045 0.000 1.048 130 K CA 0.781 57.053 56.287 -0.025 0.000 0.927 130 K CB -0.151 32.333 32.500 -0.026 0.000 0.712 130 K HN 0.018 nan 8.250 nan 0.000 0.441 131 L N 1.695 122.899 121.223 -0.032 0.000 1.961 131 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 131 L C 1.865 178.692 176.870 -0.072 0.000 1.072 131 L CA 1.759 56.561 54.840 -0.063 0.000 0.749 131 L CB -1.319 40.766 42.059 0.042 0.000 0.889 131 L HN 0.288 nan 8.230 nan 0.000 0.432 132 N N -0.869 117.859 118.700 0.048 0.000 2.132 132 N HA -0.205 4.535 4.740 -0.000 0.000 0.191 132 N C 1.392 176.928 175.510 0.044 0.000 1.015 132 N CA 1.498 54.606 53.050 0.096 0.000 0.864 132 N CB -0.060 38.496 38.487 0.116 0.000 1.006 132 N HN 0.419 nan 8.380 nan 0.000 0.430 133 S N -0.977 114.723 115.700 -0.000 0.000 2.577 133 S HA 0.384 4.854 4.470 -0.000 0.000 0.219 133 S C 1.411 175.976 174.600 -0.057 0.000 0.962 133 S CA -0.080 58.119 58.200 -0.002 0.000 0.921 133 S CB 0.744 63.948 63.200 0.007 0.000 0.789 133 S HN 0.309 nan 8.310 nan 0.000 0.497 134 A N 2.102 124.838 122.820 -0.141 0.000 1.943 134 A HA 0.357 4.677 4.320 -0.000 0.000 0.213 134 A C 1.012 178.422 177.584 -0.290 0.000 1.181 134 A CA 0.065 51.979 52.037 -0.205 0.000 0.653 134 A CB -0.399 18.435 19.000 -0.277 0.000 0.833 134 A HN 0.541 nan 8.150 nan 0.000 0.451 135 I N 1.534 121.843 120.570 -0.435 0.000 2.826 135 I HA -0.016 4.154 4.170 -0.000 0.000 0.295 135 I C -0.489 175.458 176.117 -0.283 0.000 1.213 135 I CA 0.603 61.593 61.300 -0.517 0.000 1.436 135 I CB 0.197 37.799 38.000 -0.663 0.000 1.348 135 I HN -0.077 nan 8.210 nan 0.000 0.570 136 V N 8.091 127.924 119.914 -0.134 0.000 2.293 136 V HA 0.119 4.239 4.120 -0.000 0.000 0.275 136 V C 0.396 176.433 176.094 -0.095 0.000 1.021 136 V CA -0.430 61.841 62.300 -0.048 0.000 0.815 136 V CB 0.616 32.469 31.823 0.050 0.000 1.025 136 V HN 0.553 nan 8.190 nan 0.000 0.448 137 Y N 0.680 121.042 120.300 0.104 0.000 2.639 137 Y HA -0.104 4.446 4.550 0.000 0.000 0.297 137 Y C 1.989 178.028 175.900 0.233 0.000 1.151 137 Y CA 0.717 58.879 58.100 0.104 0.000 1.335 137 Y CB -0.047 38.390 38.460 -0.037 0.000 0.994 137 Y HN 0.558 nan 8.280 nan 0.000 0.548 138 D N 0.017 120.611 120.400 0.323 0.000 2.219 138 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 138 D C 1.704 178.202 176.300 0.330 0.000 0.970 138 D CA 0.922 55.156 54.000 0.391 0.000 0.851 138 D CB -0.077 40.865 40.800 0.236 0.000 0.943 138 D HN 0.336 nan 8.370 nan 0.000 0.488 139 R N 0.389 120.988 120.500 0.164 0.000 2.339 139 R HA -0.031 4.309 4.340 -0.000 0.000 0.199 139 R C 0.842 177.176 176.300 0.056 0.000 1.018 139 R CA 0.341 56.477 56.100 0.060 0.000 1.036 139 R CB 0.135 30.424 30.300 -0.019 0.000 0.899 139 R HN 0.081 nan 8.270 nan 0.000 0.473 140 D N 0.234 120.689 120.400 0.092 0.000 2.264 140 D HA -0.108 4.532 4.640 -0.000 0.000 0.208 140 D C 0.607 176.811 176.300 -0.160 0.000 0.966 140 D CA 0.992 55.003 54.000 0.018 0.000 0.864 140 D CB -0.012 40.713 40.800 -0.125 0.000 0.933 140 D HN 0.155 nan 8.370 nan 0.000 0.499 141 F N 0.727 120.693 119.950 0.026 0.000 2.725 141 F HA 0.131 4.658 4.527 -0.000 0.000 0.303 141 F C 1.795 177.540 175.800 -0.092 0.000 1.167 141 F CA 0.204 58.184 58.000 -0.033 0.000 1.403 141 F CB -0.002 38.989 39.000 -0.015 0.000 1.077 141 F HN -0.131 nan 8.300 nan 0.000 0.537 142 Q N -0.647 119.079 119.800 -0.124 0.000 2.320 142 Q HA 0.066 4.406 4.340 -0.000 0.000 0.201 142 Q C -0.761 174.921 176.000 -0.530 0.000 0.910 142 Q CA 0.244 55.832 55.803 -0.358 0.000 0.946 142 Q CB 0.178 28.600 28.738 -0.527 0.000 1.062 142 Q HN 0.408 nan 8.270 nan 0.000 0.503 143 Y N 0.353 120.628 120.300 -0.042 0.000 2.328 143 Y HA 0.157 4.707 4.550 -0.000 0.000 0.337 143 Y C 0.598 176.500 175.900 0.002 0.000 0.966 143 Y CA -0.914 57.166 58.100 -0.034 0.000 1.136 143 Y CB 1.471 39.931 38.460 0.001 0.000 1.170 143 Y HN -0.096 nan 8.280 nan 0.000 0.470 144 S N 2.840 118.625 115.700 0.141 0.000 2.574 144 S HA -0.261 4.209 4.470 -0.000 0.000 0.302 144 S C 1.223 175.949 174.600 0.209 0.000 1.270 144 S CA 0.068 58.380 58.200 0.186 0.000 1.040 144 S CB 0.220 63.546 63.200 0.210 0.000 0.767 144 S HN 0.745 nan 8.310 nan 0.000 0.494 145 Y N 4.947 125.252 120.300 0.008 0.000 2.151 145 Y HA -0.174 4.375 4.550 -0.000 0.000 0.284 145 Y C 1.378 177.207 175.900 -0.120 0.000 1.166 145 Y CA 2.339 60.350 58.100 -0.148 0.000 1.163 145 Y CB -0.501 37.703 38.460 -0.427 0.000 0.974 145 Y HN 0.775 nan 8.280 nan 0.000 0.511 146 F N -0.261 119.841 119.950 0.253 0.000 2.163 146 F HA 0.032 4.559 4.527 0.000 0.000 0.297 146 F C 2.674 178.493 175.800 0.031 0.000 1.094 146 F CA 1.119 59.207 58.000 0.147 0.000 1.290 146 F CB -1.249 37.876 39.000 0.209 0.000 1.017 146 F HN 0.078 nan 8.300 nan 0.000 0.483 147 G N 0.177 109.122 108.800 0.241 0.000 2.491 147 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.218 147 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.218 147 G C 1.644 176.544 174.900 -0.000 0.000 1.180 147 G CA 0.993 46.164 45.100 0.118 0.000 0.774 147 G HN 0.329 nan 8.290 nan 0.000 0.562 148 F N 1.895 121.761 119.950 -0.141 0.000 2.091 148 F HA -0.089 4.438 4.527 0.000 0.000 0.299 148 F C 2.573 178.208 175.800 -0.274 0.000 1.103 148 F CA 1.971 59.796 58.000 -0.292 0.000 1.228 148 F CB -0.041 38.790 39.000 -0.283 0.000 0.984 148 F HN -0.036 nan 8.300 nan 0.000 0.477 149 K N -0.199 119.960 120.400 -0.401 0.000 2.209 149 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 149 K C 2.010 178.452 176.600 -0.264 0.000 1.048 149 K CA 1.566 57.592 56.287 -0.434 0.000 0.940 149 K CB -0.878 31.436 32.500 -0.309 0.000 0.729 149 K HN 0.342 nan 8.250 nan 0.000 0.451 150 T N 2.178 116.640 114.554 -0.155 0.000 2.737 150 T HA -0.038 4.312 4.350 -0.000 0.000 0.265 150 T C 2.051 176.731 174.700 -0.033 0.000 1.038 150 T CA 0.702 62.776 62.100 -0.043 0.000 1.144 150 T CB -0.125 68.733 68.868 -0.017 0.000 0.866 150 T HN 0.091 nan 8.240 nan 0.000 0.434 151 L N 0.737 121.826 121.223 -0.224 0.000 1.970 151 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 151 L C 2.824 179.599 176.870 -0.158 0.000 1.071 151 L CA 1.813 56.521 54.840 -0.220 0.000 0.751 151 L CB -0.486 41.318 42.059 -0.425 0.000 0.889 151 L HN 0.370 nan 8.230 nan 0.000 0.432 152 E N 0.263 120.193 120.200 -0.451 0.000 2.085 152 E HA -0.318 4.032 4.350 -0.000 0.000 0.194 152 E C 2.299 178.793 176.600 -0.177 0.000 0.994 152 E CA 1.685 57.834 56.400 -0.420 0.000 0.801 152 E CB -0.034 29.236 29.700 -0.716 0.000 0.743 152 E HN 0.300 nan 8.360 nan 0.000 0.453 153 R N -0.509 119.920 120.500 -0.118 0.000 2.092 153 R HA -0.024 4.316 4.340 -0.000 0.000 0.231 153 R C 1.293 177.592 176.300 -0.001 0.000 1.119 153 R CA 1.921 57.995 56.100 -0.042 0.000 0.970 153 R CB 0.099 30.391 30.300 -0.014 0.000 0.864 153 R HN 0.049 nan 8.270 nan 0.000 0.440 154 S N -1.804 113.944 115.700 0.079 0.000 2.728 154 S HA 0.198 4.668 4.470 -0.000 0.000 0.257 154 S C 0.186 174.771 174.600 -0.024 0.000 1.060 154 S CA -0.514 57.683 58.200 -0.005 0.000 1.126 154 S CB 0.428 63.604 63.200 -0.040 0.000 1.099 154 S HN 0.283 nan 8.310 nan 0.000 0.617 155 Y N 0.614 120.978 120.300 0.108 0.000 2.638 155 Y HA 0.461 5.011 4.550 -0.000 0.000 0.275 155 Y C 0.154 176.100 175.900 0.077 0.000 1.122 155 Y CA -0.537 57.652 58.100 0.149 0.000 1.266 155 Y CB 0.125 38.599 38.460 0.023 0.000 1.317 155 Y HN 0.076 nan 8.280 nan 0.000 0.501 156 L N 2.051 123.367 121.223 0.154 0.000 2.418 156 L HA 0.091 4.431 4.340 -0.000 0.000 0.274 156 L C -0.189 176.718 176.870 0.062 0.000 1.135 156 L CA -0.015 54.877 54.840 0.088 0.000 0.870 156 L CB -0.175 41.894 42.059 0.016 0.000 1.154 156 L HN 0.090 nan 8.230 nan 0.000 0.462 157 L N 5.482 126.749 121.223 0.073 0.000 2.490 157 L HA 0.180 4.520 4.340 -0.000 0.000 0.274 157 L C 0.621 177.485 176.870 -0.010 0.000 1.201 157 L CA 0.075 54.928 54.840 0.022 0.000 0.869 157 L CB -0.051 42.025 42.059 0.029 0.000 1.123 157 L HN 0.650 nan 8.230 nan 0.000 0.484 158 R N 3.028 123.490 120.500 -0.064 0.000 2.637 158 R HA 0.477 4.817 4.340 -0.000 0.000 0.291 158 R C -0.006 176.196 176.300 -0.164 0.000 0.963 158 R CA -1.056 54.997 56.100 -0.079 0.000 0.901 158 R CB 1.685 31.945 30.300 -0.067 0.000 1.160 158 R HN 0.344 nan 8.270 nan 0.000 0.457 159 I N 1.830 122.323 120.570 -0.128 0.000 2.479 159 I HA -0.097 4.073 4.170 -0.000 0.000 0.226 159 I C 0.290 176.328 176.117 -0.131 0.000 1.060 159 I CA 0.720 61.912 61.300 -0.180 0.000 1.380 159 I CB -0.665 37.323 38.000 -0.019 0.000 1.192 159 I HN 0.700 nan 8.210 nan 0.000 0.411 160 N N 0.378 119.081 118.700 0.005 0.000 3.044 160 N HA 0.377 5.117 4.740 -0.000 0.000 0.254 160 N C 0.624 176.141 175.510 0.010 0.000 1.253 160 N CA 0.380 53.456 53.050 0.044 0.000 0.944 160 N CB 0.715 39.258 38.487 0.095 0.000 1.217 160 N HN 0.535 nan 8.380 nan 0.000 0.498 161 G N 0.714 109.502 108.800 -0.020 0.000 2.219 161 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.271 161 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.271 161 G C 0.300 175.192 174.900 -0.013 0.000 0.991 161 G CA 0.574 45.661 45.100 -0.021 0.000 0.685 161 G HN 0.497 nan 8.290 nan 0.000 0.531 162 Q N -0.387 119.408 119.800 -0.008 0.000 2.257 162 Q HA 0.601 4.941 4.340 -0.000 0.000 0.255 162 Q C 0.449 176.448 176.000 -0.001 0.000 0.920 162 Q CA -0.626 55.180 55.803 0.004 0.000 0.927 162 Q CB 1.616 30.365 28.738 0.018 0.000 1.229 162 Q HN 0.176 nan 8.270 nan 0.000 0.433 163 V N 3.987 123.906 119.914 0.009 0.000 2.540 163 V HA 0.047 4.167 4.120 -0.000 0.000 0.297 163 V C 0.655 176.775 176.094 0.044 0.000 1.024 163 V CA 1.232 63.543 62.300 0.018 0.000 1.105 163 V CB 0.641 32.475 31.823 0.020 0.000 0.938 163 V HN 1.045 nan 8.190 nan 0.000 0.482 164 A N 4.833 127.683 122.820 0.050 0.000 1.920 164 A HA 0.195 4.515 4.320 -0.000 0.000 0.209 164 A C 0.942 178.622 177.584 0.159 0.000 1.229 164 A CA 0.072 52.156 52.037 0.078 0.000 0.671 164 A CB -0.037 18.988 19.000 0.042 0.000 0.886 164 A HN 0.759 nan 8.150 nan 0.000 0.461 165 E N 1.149 121.455 120.200 0.178 0.000 2.259 165 E HA 0.279 4.629 4.350 -0.000 0.000 0.281 165 E C -0.485 176.252 176.600 0.229 0.000 1.037 165 E CA -0.378 56.203 56.400 0.301 0.000 0.854 165 E CB 0.816 30.662 29.700 0.243 0.000 1.051 165 E HN 0.343 nan 8.360 nan 0.000 0.409 166 R N 3.497 124.102 120.500 0.174 0.000 2.707 166 R HA 0.049 4.389 4.340 -0.000 0.000 0.270 166 R C -1.617 174.703 176.300 0.033 0.000 1.083 166 R CA -1.406 54.698 56.100 0.007 0.000 1.182 166 R CB -0.166 30.017 30.300 -0.194 0.000 1.084 166 R HN 0.316 nan 8.270 nan 0.000 0.528 167 P HA -0.247 nan 4.420 nan 0.000 0.215 167 P C 0.927 178.266 177.300 0.064 0.000 1.163 167 P CA 1.350 64.455 63.100 0.010 0.000 0.894 167 P CB 0.179 31.852 31.700 -0.044 0.000 0.791 168 Q N -1.228 118.604 119.800 0.052 0.000 2.152 168 Q HA -0.221 4.119 4.340 -0.000 0.000 0.206 168 Q C 2.165 178.264 176.000 0.164 0.000 0.985 168 Q CA 1.815 57.662 55.803 0.072 0.000 0.863 168 Q CB -1.453 27.220 28.738 -0.107 0.000 0.904 168 Q HN 0.609 nan 8.270 nan 0.000 0.422 169 H N 0.155 119.357 119.070 0.219 0.000 2.321 169 H HA -0.084 4.472 4.556 -0.000 0.000 0.300 169 H C 2.095 177.584 175.328 0.268 0.000 1.087 169 H CA 0.693 56.928 56.048 0.312 0.000 1.319 169 H CB -0.010 30.014 29.762 0.435 0.000 1.379 169 H HN 0.081 nan 8.280 nan 0.000 0.501 170 L N 1.601 123.012 121.223 0.313 0.000 2.043 170 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 170 L C 2.005 178.983 176.870 0.180 0.000 1.075 170 L CA 1.712 56.683 54.840 0.218 0.000 0.752 170 L CB -0.901 41.241 42.059 0.139 0.000 0.891 170 L HN 0.343 nan 8.230 nan 0.000 0.432 171 I N -0.770 119.892 120.570 0.153 0.000 2.163 171 I HA -0.322 3.848 4.170 -0.000 0.000 0.240 171 I C 2.588 178.812 176.117 0.178 0.000 1.081 171 I CA 1.285 62.662 61.300 0.128 0.000 1.353 171 I CB -0.296 37.730 38.000 0.043 0.000 1.054 171 I HN 0.268 nan 8.210 nan 0.000 0.407 172 M N 1.047 120.744 119.600 0.161 0.000 2.082 172 M HA -0.258 4.222 4.480 -0.000 0.000 0.258 172 M C 2.380 178.724 176.300 0.074 0.000 1.069 172 M CA 1.879 57.147 55.300 -0.054 0.000 1.102 172 M CB -0.573 31.580 32.600 -0.745 0.000 1.336 172 M HN 0.079 nan 8.290 nan 0.000 0.404 173 R N -0.830 119.806 120.500 0.228 0.000 2.083 173 R HA -0.135 4.205 4.340 -0.000 0.000 0.237 173 R C 1.781 178.187 176.300 0.177 0.000 1.137 173 R CA 2.188 58.460 56.100 0.287 0.000 0.951 173 R CB -0.806 29.677 30.300 0.304 0.000 0.851 173 R HN 0.324 nan 8.270 nan 0.000 0.434 174 V N 1.419 121.422 119.914 0.148 0.000 2.343 174 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 174 V C 2.626 178.770 176.094 0.083 0.000 1.051 174 V CA 1.947 64.305 62.300 0.097 0.000 1.036 174 V CB -0.848 31.031 31.823 0.094 0.000 0.654 174 V HN 0.627 nan 8.190 nan 0.000 0.451 175 A N -0.267 122.637 122.820 0.139 0.000 1.877 175 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 175 A C 2.098 179.796 177.584 0.190 0.000 1.186 175 A CA 1.731 53.889 52.037 0.202 0.000 0.620 175 A CB -0.553 18.587 19.000 0.232 0.000 0.822 175 A HN 0.398 nan 8.150 nan 0.000 0.443 176 L N -0.116 121.194 121.223 0.146 0.000 2.093 176 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 176 L C 2.717 179.639 176.870 0.087 0.000 1.085 176 L CA 1.718 56.635 54.840 0.129 0.000 0.755 176 L CB -1.801 40.345 42.059 0.145 0.000 0.904 176 L HN 0.421 nan 8.230 nan 0.000 0.435 177 G N -0.504 108.338 108.800 0.070 0.000 2.440 177 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 177 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 177 G C 1.732 176.611 174.900 -0.036 0.000 1.154 177 G CA 1.000 46.117 45.100 0.029 0.000 0.767 177 G HN 0.396 nan 8.290 nan 0.000 0.552 178 I N -0.714 119.789 120.570 -0.112 0.000 2.333 178 I HA -0.003 4.167 4.170 -0.000 0.000 0.246 178 I C 2.295 178.211 176.117 -0.335 0.000 1.106 178 I CA 0.989 62.110 61.300 -0.298 0.000 1.411 178 I CB -0.097 37.598 38.000 -0.508 0.000 1.082 178 I HN 0.158 nan 8.210 nan 0.000 0.420 179 H N -0.090 119.000 119.070 0.034 0.000 2.592 179 H HA 0.248 4.804 4.556 -0.000 0.000 0.265 179 H C 1.561 176.909 175.328 0.033 0.000 0.955 179 H CA 0.471 56.540 56.048 0.036 0.000 1.175 179 H CB 0.267 30.054 29.762 0.042 0.000 1.433 179 H HN 0.364 nan 8.280 nan 0.000 0.537 180 G N 1.453 110.318 108.800 0.108 0.000 2.629 180 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.313 180 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.313 180 G C 1.092 176.038 174.900 0.077 0.000 1.217 180 G CA 0.599 45.745 45.100 0.077 0.000 0.994 180 G HN 0.428 nan 8.290 nan 0.000 0.549 181 R N 1.245 121.781 120.500 0.061 0.000 2.313 181 R HA 0.078 4.418 4.340 -0.000 0.000 0.199 181 R C 0.427 176.754 176.300 0.045 0.000 0.958 181 R CA 0.454 56.580 56.100 0.044 0.000 1.047 181 R CB -0.029 30.289 30.300 0.030 0.000 0.955 181 R HN 0.394 nan 8.270 nan 0.000 0.481 182 D N 1.325 121.767 120.400 0.070 0.000 2.551 182 D HA -0.002 4.638 4.640 -0.000 0.000 0.223 182 D C 1.203 177.519 176.300 0.027 0.000 1.144 182 D CA -0.067 53.962 54.000 0.050 0.000 1.025 182 D CB 0.281 41.123 40.800 0.070 0.000 1.085 182 D HN -0.017 nan 8.370 nan 0.000 0.506 183 I N 1.531 122.107 120.570 0.011 0.000 2.361 183 I HA -0.180 3.990 4.170 -0.000 0.000 0.251 183 I C 2.105 178.204 176.117 -0.031 0.000 1.133 183 I CA 0.767 62.066 61.300 -0.002 0.000 1.413 183 I CB -0.662 37.334 38.000 -0.007 0.000 1.073 183 I HN 0.476 nan 8.210 nan 0.000 0.424 184 E N 1.228 121.404 120.200 -0.040 0.000 2.038 184 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 184 E C 2.275 178.815 176.600 -0.101 0.000 1.000 184 E CA 1.602 57.969 56.400 -0.056 0.000 0.803 184 E CB 0.059 29.731 29.700 -0.047 0.000 0.750 184 E HN 0.438 nan 8.360 nan 0.000 0.448 185 A N 0.569 123.287 122.820 -0.170 0.000 2.067 185 A HA 0.001 4.321 4.320 -0.000 0.000 0.219 185 A C 2.171 179.441 177.584 -0.523 0.000 1.158 185 A CA 1.464 53.272 52.037 -0.383 0.000 0.661 185 A CB -0.345 18.341 19.000 -0.523 0.000 0.801 185 A HN 0.384 nan 8.150 nan 0.000 0.452 186 A N -0.674 122.003 122.820 -0.238 0.000 1.903 186 A HA 0.166 4.486 4.320 -0.000 0.000 0.213 186 A C 1.892 179.502 177.584 0.044 0.000 1.185 186 A CA 1.215 53.251 52.037 -0.002 0.000 0.628 186 A CB -0.456 18.602 19.000 0.096 0.000 0.830 186 A HN 0.348 nan 8.150 nan 0.000 0.446 187 L N 0.459 121.681 121.223 -0.001 0.000 2.079 187 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 187 L C 2.411 179.333 176.870 0.088 0.000 1.081 187 L CA 2.266 57.122 54.840 0.027 0.000 0.752 187 L CB -0.939 41.106 42.059 -0.022 0.000 0.896 187 L HN 0.671 nan 8.230 nan 0.000 0.433 188 E N -1.161 119.052 120.200 0.021 0.000 2.028 188 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 188 E C 1.933 178.577 176.600 0.074 0.000 0.988 188 E CA 1.815 58.228 56.400 0.022 0.000 0.799 188 E CB 0.026 29.709 29.700 -0.029 0.000 0.755 188 E HN 0.384 nan 8.360 nan 0.000 0.447 189 T N 0.224 114.843 114.554 0.108 0.000 2.788 189 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 189 T C 1.471 176.246 174.700 0.125 0.000 1.044 189 T CA 1.499 63.742 62.100 0.239 0.000 1.139 189 T CB -0.524 68.585 68.868 0.402 0.000 0.867 189 T HN 0.384 nan 8.240 nan 0.000 0.454 190 Y N 2.472 122.785 120.300 0.021 0.000 2.128 190 Y HA -0.192 4.357 4.550 -0.000 0.000 0.284 190 Y C 2.311 178.171 175.900 -0.067 0.000 1.154 190 Y CA 1.447 59.524 58.100 -0.040 0.000 1.149 190 Y CB -0.439 37.975 38.460 -0.078 0.000 0.976 190 Y HN 0.135 nan 8.280 nan 0.000 0.505 191 N N 0.638 119.308 118.700 -0.049 0.000 2.058 191 N HA -0.184 4.556 4.740 -0.000 0.000 0.191 191 N C 1.922 177.306 175.510 -0.211 0.000 1.037 191 N CA 1.984 54.946 53.050 -0.148 0.000 0.848 191 N CB -0.530 37.978 38.487 0.035 0.000 1.021 191 N HN 0.424 nan 8.380 nan 0.000 0.422 192 L N 0.608 121.746 121.223 -0.142 0.000 2.079 192 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 192 L C 2.491 179.160 176.870 -0.336 0.000 1.081 192 L CA 1.077 55.832 54.840 -0.142 0.000 0.752 192 L CB -0.359 41.718 42.059 0.030 0.000 0.896 192 L HN 0.161 nan 8.230 nan 0.000 0.433 193 M N -0.411 118.866 119.600 -0.539 0.000 2.123 193 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 193 M C 2.605 178.667 176.300 -0.396 0.000 1.069 193 M CA 1.913 56.860 55.300 -0.588 0.000 1.133 193 M CB -0.284 32.030 32.600 -0.475 0.000 1.356 193 M HN 0.366 nan 8.290 nan 0.000 0.415 194 S N 0.380 115.788 115.700 -0.488 0.000 2.469 194 S HA -0.057 4.413 4.470 -0.000 0.000 0.238 194 S C 1.438 175.861 174.600 -0.295 0.000 0.998 194 S CA 0.785 58.726 58.200 -0.432 0.000 0.957 194 S CB -0.660 62.098 63.200 -0.736 0.000 0.764 194 S HN 0.511 nan 8.310 nan 0.000 0.514 195 L N 1.006 122.093 121.223 -0.226 0.000 2.728 195 L HA 0.292 4.632 4.340 -0.000 0.000 0.235 195 L C 0.132 176.849 176.870 -0.255 0.000 1.197 195 L CA -0.297 54.450 54.840 -0.155 0.000 0.992 195 L CB -0.413 41.673 42.059 0.045 0.000 1.263 195 L HN 0.234 nan 8.230 nan 0.000 0.484 196 K N -1.263 118.983 120.400 -0.257 0.000 3.071 196 K HA -0.279 4.041 4.320 -0.000 0.000 0.262 196 K C 0.300 176.762 176.600 -0.230 0.000 0.977 196 K CA 0.863 57.007 56.287 -0.238 0.000 0.721 196 K CB -2.170 30.182 32.500 -0.248 0.000 1.293 196 K HN 0.360 nan 8.250 nan 0.000 0.475 197 Y N -0.229 119.937 120.300 -0.223 0.000 2.420 197 Y HA 0.018 4.568 4.550 -0.000 0.000 0.292 197 Y C 1.241 177.205 175.900 0.107 0.000 1.119 197 Y CA 1.194 59.213 58.100 -0.135 0.000 1.229 197 Y CB 0.316 38.730 38.460 -0.077 0.000 1.026 197 Y HN 0.398 nan 8.280 nan 0.000 0.554 198 F N -3.812 116.216 119.950 0.131 0.000 2.877 198 F HA 0.670 5.197 4.527 0.000 0.000 0.319 198 F C -0.859 174.953 175.800 0.020 0.000 1.174 198 F CA -1.204 56.841 58.000 0.074 0.000 0.903 198 F CB 1.585 40.617 39.000 0.054 0.000 1.357 198 F HN -0.422 nan 8.300 nan 0.000 0.472 199 T N -0.740 113.970 114.554 0.260 0.000 2.840 199 T HA 0.359 4.709 4.350 -0.000 0.000 0.317 199 T C -1.931 172.825 174.700 0.093 0.000 1.401 199 T CA -0.508 61.657 62.100 0.108 0.000 1.028 199 T CB 1.188 70.076 68.868 0.034 0.000 1.317 199 T HN 0.839 nan 8.240 nan 0.000 0.495 200 H N 0.623 119.798 119.070 0.175 0.000 2.495 200 H HA 0.667 5.223 4.556 -0.000 0.000 0.350 200 H C 0.756 176.123 175.328 0.066 0.000 1.202 200 H CA -0.104 56.023 56.048 0.130 0.000 1.322 200 H CB 1.438 31.269 29.762 0.116 0.000 1.544 200 H HN 0.866 nan 8.280 nan 0.000 0.565 201 A N 0.929 123.862 122.820 0.187 0.000 2.406 201 A HA 0.044 4.364 4.320 -0.000 0.000 0.243 201 A C 1.534 179.150 177.584 0.054 0.000 1.082 201 A CA 0.155 52.257 52.037 0.109 0.000 0.786 201 A CB 0.141 19.207 19.000 0.110 0.000 1.029 201 A HN 0.819 nan 8.150 nan 0.000 0.495 202 S N 1.410 117.115 115.700 0.010 0.000 2.378 202 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 202 S C -0.590 173.795 174.600 -0.359 0.000 1.052 202 S CA 2.403 60.493 58.200 -0.183 0.000 1.084 202 S CB -1.275 61.864 63.200 -0.102 0.000 0.950 202 S HN 0.731 nan 8.310 nan 0.000 0.440 203 P HA -0.071 nan 4.420 nan 0.000 0.215 203 P C 1.512 178.879 177.300 0.112 0.000 1.157 203 P CA 1.422 64.634 63.100 0.187 0.000 0.874 203 P CB -0.360 31.459 31.700 0.199 0.000 0.790 204 T N 0.117 114.710 114.554 0.064 0.000 2.684 204 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 204 T C 1.745 176.473 174.700 0.047 0.000 1.036 204 T CA 1.258 63.385 62.100 0.045 0.000 1.148 204 T CB -1.058 67.830 68.868 0.032 0.000 0.863 204 T HN 0.080 nan 8.240 nan 0.000 0.436 205 L N -0.486 120.743 121.223 0.009 0.000 2.131 205 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 205 L C 2.347 179.283 176.870 0.111 0.000 1.092 205 L CA 1.390 56.257 54.840 0.045 0.000 0.759 205 L CB -0.737 41.349 42.059 0.044 0.000 0.903 205 L HN 0.273 nan 8.230 nan 0.000 0.435 206 F N 0.377 120.406 119.950 0.131 0.000 2.128 206 F HA -0.156 4.371 4.527 -0.000 0.000 0.295 206 F C 2.018 177.839 175.800 0.034 0.000 1.100 206 F CA 1.423 59.443 58.000 0.033 0.000 1.260 206 F CB -0.094 38.887 39.000 -0.031 0.000 1.009 206 F HN 0.161 nan 8.300 nan 0.000 0.476 207 N N -0.716 118.129 118.700 0.243 0.000 2.227 207 N HA 0.227 4.967 4.740 -0.000 0.000 0.196 207 N C 0.112 175.682 175.510 0.098 0.000 1.142 207 N CA -0.189 52.949 53.050 0.148 0.000 0.887 207 N CB 0.432 39.000 38.487 0.135 0.000 1.022 207 N HN -0.008 nan 8.380 nan 0.000 0.500 208 A N 0.826 123.699 122.820 0.089 0.000 2.520 208 A HA 0.432 4.752 4.320 -0.000 0.000 0.245 208 A C 1.440 179.071 177.584 0.078 0.000 1.072 208 A CA 0.858 52.929 52.037 0.057 0.000 0.761 208 A CB -0.485 18.530 19.000 0.026 0.000 1.004 208 A HN 0.419 nan 8.150 nan 0.000 0.499 209 G N 1.741 110.583 108.800 0.069 0.000 2.143 209 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.249 209 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.249 209 G C 0.427 175.375 174.900 0.081 0.000 0.981 209 G CA 1.127 46.276 45.100 0.083 0.000 0.665 209 G HN 2.256 nan 8.290 nan 0.000 0.528 210 T N -3.428 111.164 114.554 0.064 0.000 2.932 210 T HA 0.726 5.076 4.350 -0.000 0.000 0.289 210 T C -0.929 173.780 174.700 0.014 0.000 1.039 210 T CA -1.156 60.973 62.100 0.049 0.000 1.024 210 T CB 2.918 71.811 68.868 0.042 0.000 1.090 210 T HN -0.138 nan 8.240 nan 0.000 0.496 211 P HA -0.174 nan 4.420 nan 0.000 0.222 211 P C 0.078 177.287 177.300 -0.152 0.000 1.157 211 P CA 1.582 64.654 63.100 -0.045 0.000 0.905 211 P CB 0.075 31.747 31.700 -0.048 0.000 0.792 212 K N -1.456 118.822 120.400 -0.202 0.000 2.687 212 K HA 0.218 4.538 4.320 -0.000 0.000 0.197 212 K C -2.551 173.951 176.600 -0.164 0.000 1.049 212 K CA -1.704 54.325 56.287 -0.429 0.000 1.030 212 K CB 1.317 33.325 32.500 -0.820 0.000 1.261 212 K HN 0.047 nan 8.250 nan 0.000 0.565 213 P HA -0.058 nan 4.420 nan 0.000 0.264 213 P C -0.733 176.630 177.300 0.105 0.000 1.537 213 P CA -0.195 62.939 63.100 0.057 0.000 1.189 213 P CB 0.532 32.268 31.700 0.061 0.000 1.687 214 Q N 3.367 123.232 119.800 0.108 0.000 2.337 214 Q HA 0.256 4.596 4.340 -0.000 0.000 0.255 214 Q C 0.391 176.452 176.000 0.102 0.000 0.997 214 Q CA 0.126 55.998 55.803 0.116 0.000 0.925 214 Q CB 0.879 29.703 28.738 0.144 0.000 1.212 214 Q HN 0.468 nan 8.270 nan 0.000 0.436 215 M N 0.655 120.286 119.600 0.052 0.000 2.306 215 M HA 0.165 4.645 4.480 -0.000 0.000 0.292 215 M C 0.302 176.630 176.300 0.048 0.000 1.018 215 M CA -0.096 55.234 55.300 0.050 0.000 1.007 215 M CB 0.951 33.551 32.600 0.000 0.000 1.510 215 M HN 0.197 nan 8.290 nan 0.000 0.537 216 S N -0.169 115.554 115.700 0.037 0.000 2.617 216 S HA 0.269 4.739 4.470 -0.000 0.000 0.269 216 S C 0.986 175.648 174.600 0.103 0.000 1.292 216 S CA -0.490 57.703 58.200 -0.011 0.000 1.010 216 S CB 1.760 64.837 63.200 -0.205 0.000 0.944 216 S HN 0.131 nan 8.310 nan 0.000 0.536 217 S N -0.092 115.633 115.700 0.042 0.000 2.502 217 S HA 0.186 4.656 4.470 -0.000 0.000 0.228 217 S C 0.238 174.935 174.600 0.163 0.000 1.061 217 S CA 0.001 58.278 58.200 0.129 0.000 0.935 217 S CB 0.223 63.481 63.200 0.096 0.000 0.809 217 S HN 0.791 nan 8.310 nan 0.000 0.510 218 C N 1.399 120.695 119.300 -0.006 0.000 2.561 218 C HA 0.794 5.254 4.460 -0.000 0.000 0.319 218 C C -0.992 173.876 174.990 -0.202 0.000 1.198 218 C CA -1.118 57.916 59.018 0.028 0.000 1.665 218 C CB 0.313 28.038 27.740 -0.025 0.000 2.258 218 C HN 0.372 nan 8.230 nan 0.000 0.493 219 F N 1.884 121.835 119.950 0.002 0.000 2.573 219 F HA 0.600 5.127 4.527 -0.000 0.000 0.316 219 F C -0.320 175.453 175.800 -0.044 0.000 1.148 219 F CA -0.738 57.255 58.000 -0.011 0.000 0.940 219 F CB 1.137 40.126 39.000 -0.019 0.000 1.214 219 F HN 0.288 nan 8.300 nan 0.000 0.448 220 L N 4.548 125.811 121.223 0.068 0.000 2.276 220 L HA 0.696 5.036 4.340 -0.000 0.000 0.286 220 L C -0.793 176.066 176.870 -0.018 0.000 1.024 220 L CA -0.964 53.868 54.840 -0.014 0.000 0.826 220 L CB 1.194 43.194 42.059 -0.098 0.000 1.211 220 L HN 0.252 nan 8.230 nan 0.000 0.422 221 V N 2.378 122.253 119.914 -0.066 0.000 2.435 221 V HA 0.600 4.720 4.120 -0.000 0.000 0.290 221 V C 0.596 176.501 176.094 -0.314 0.000 1.030 221 V CA -0.467 61.761 62.300 -0.120 0.000 0.881 221 V CB 1.680 33.435 31.823 -0.113 0.000 0.983 221 V HN 0.889 nan 8.190 nan 0.000 0.445 222 A N 5.293 127.919 122.820 -0.323 0.000 2.309 222 A HA 0.702 5.022 4.320 -0.000 0.000 0.298 222 A C -0.092 177.251 177.584 -0.402 0.000 1.165 222 A CA -0.605 51.063 52.037 -0.615 0.000 0.821 222 A CB 0.567 19.421 19.000 -0.244 0.000 1.102 222 A HN 0.884 nan 8.150 nan 0.000 0.500 223 M N 2.911 122.222 119.600 -0.481 0.000 2.427 223 M HA 0.122 4.602 4.480 -0.000 0.000 0.345 223 M C 0.868 177.098 176.300 -0.116 0.000 1.653 223 M CA 0.604 55.758 55.300 -0.244 0.000 1.138 223 M CB -0.319 32.131 32.600 -0.250 0.000 1.995 223 M HN 0.762 nan 8.290 nan 0.000 0.459 224 K N 2.498 122.868 120.400 -0.049 0.000 2.057 224 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 224 K C 0.159 176.772 176.600 0.022 0.000 1.049 224 K CA 1.440 57.723 56.287 -0.007 0.000 0.931 224 K CB 0.125 32.635 32.500 0.017 0.000 0.714 224 K HN 0.780 nan 8.250 nan 0.000 0.440 225 E N -0.067 120.153 120.200 0.034 0.000 2.400 225 E HA -0.019 4.331 4.350 -0.000 0.000 0.285 225 E C -1.957 174.681 176.600 0.064 0.000 1.005 225 E CA -0.378 56.054 56.400 0.054 0.000 0.816 225 E CB 1.454 31.189 29.700 0.058 0.000 1.220 225 E HN -0.077 nan 8.360 nan 0.000 0.426 226 D N 2.517 122.962 120.400 0.075 0.000 2.600 226 D HA 0.172 4.812 4.640 -0.000 0.000 0.226 226 D C -1.187 175.164 176.300 0.084 0.000 1.119 226 D CA 0.570 54.620 54.000 0.084 0.000 1.051 226 D CB -0.230 40.629 40.800 0.098 0.000 1.106 226 D HN 0.424 nan 8.370 nan 0.000 0.491 227 S N 1.376 117.129 115.700 0.088 0.000 2.587 227 S HA 0.245 4.715 4.470 -0.000 0.000 0.269 227 S C 0.876 175.545 174.600 0.115 0.000 1.154 227 S CA -0.897 57.356 58.200 0.087 0.000 0.824 227 S CB 0.485 63.730 63.200 0.074 0.000 1.118 227 S HN -0.052 nan 8.310 nan 0.000 0.462 228 I N 1.313 121.949 120.570 0.110 0.000 2.226 228 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 228 I C 2.596 178.826 176.117 0.187 0.000 1.100 228 I CA 2.164 63.559 61.300 0.158 0.000 1.374 228 I CB -1.369 36.665 38.000 0.057 0.000 1.057 228 I HN 1.015 nan 8.210 nan 0.000 0.413 229 E N 0.959 121.224 120.200 0.109 0.000 2.051 229 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 229 E C 2.326 179.001 176.600 0.125 0.000 0.991 229 E CA 1.483 57.945 56.400 0.104 0.000 0.799 229 E CB -0.352 29.386 29.700 0.063 0.000 0.748 229 E HN 0.422 nan 8.360 nan 0.000 0.449 230 G N 1.441 110.304 108.800 0.105 0.000 2.628 230 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.217 230 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.217 230 G C 1.609 176.573 174.900 0.106 0.000 1.240 230 G CA 1.414 46.567 45.100 0.089 0.000 0.792 230 G HN 0.318 nan 8.290 nan 0.000 0.593 231 I N -0.615 120.035 120.570 0.132 0.000 2.145 231 I HA -0.277 3.893 4.170 -0.000 0.000 0.244 231 I C 2.534 178.651 176.117 0.001 0.000 1.075 231 I CA 1.428 62.798 61.300 0.117 0.000 1.332 231 I CB -0.261 37.823 38.000 0.140 0.000 1.033 231 I HN 0.179 nan 8.210 nan 0.000 0.410 232 Y N 0.124 120.443 120.300 0.033 0.000 2.457 232 Y HA -0.164 4.386 4.550 -0.000 0.000 0.292 232 Y C 2.245 178.142 175.900 -0.005 0.000 1.125 232 Y CA 0.890 58.982 58.100 -0.014 0.000 1.254 232 Y CB -0.335 38.108 38.460 -0.028 0.000 1.012 232 Y HN 0.187 nan 8.280 nan 0.000 0.555 233 D N -0.824 119.647 120.400 0.118 0.000 2.123 233 D HA -0.121 4.519 4.640 -0.000 0.000 0.200 233 D C 1.989 178.315 176.300 0.043 0.000 0.976 233 D CA 1.701 55.743 54.000 0.070 0.000 0.831 233 D CB -0.155 40.682 40.800 0.062 0.000 0.974 233 D HN 0.249 nan 8.370 nan 0.000 0.469 234 T N 1.522 116.110 114.554 0.056 0.000 2.720 234 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 234 T C 1.987 176.748 174.700 0.101 0.000 1.037 234 T CA 0.580 62.731 62.100 0.084 0.000 1.144 234 T CB -0.328 68.621 68.868 0.134 0.000 0.864 234 T HN 0.034 nan 8.240 nan 0.000 0.444 235 L N 1.416 122.623 121.223 -0.028 0.000 2.017 235 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 235 L C 2.429 179.239 176.870 -0.099 0.000 1.073 235 L CA 1.879 56.562 54.840 -0.262 0.000 0.745 235 L CB -0.507 41.146 42.059 -0.677 0.000 0.894 235 L HN 0.120 nan 8.230 nan 0.000 0.432 236 K N -0.674 119.697 120.400 -0.048 0.000 2.057 236 K HA -0.254 4.066 4.320 -0.000 0.000 0.207 236 K C 2.143 178.741 176.600 -0.003 0.000 1.049 236 K CA 1.816 58.101 56.287 -0.004 0.000 0.931 236 K CB -0.237 32.278 32.500 0.025 0.000 0.714 236 K HN 0.504 nan 8.250 nan 0.000 0.440 237 E N 0.153 120.351 120.200 -0.004 0.000 2.031 237 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 237 E C 2.032 178.593 176.600 -0.065 0.000 0.994 237 E CA 1.629 58.015 56.400 -0.024 0.000 0.800 237 E CB -0.090 29.603 29.700 -0.012 0.000 0.752 237 E HN 0.460 nan 8.360 nan 0.000 0.447 238 C N 0.613 119.883 119.300 -0.050 0.000 2.398 238 C HA -0.163 4.297 4.460 -0.000 0.000 0.276 238 C C 2.899 177.844 174.990 -0.074 0.000 1.222 238 C CA 1.052 59.994 59.018 -0.127 0.000 1.746 238 C CB -1.250 26.468 27.740 -0.037 0.000 2.039 238 C HN 0.615 nan 8.230 nan 0.000 0.470 239 A N 0.114 122.951 122.820 0.029 0.000 1.917 239 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 239 A C 2.130 179.719 177.584 0.009 0.000 1.182 239 A CA 1.711 53.789 52.037 0.068 0.000 0.633 239 A CB -0.630 18.416 19.000 0.077 0.000 0.819 239 A HN 0.646 nan 8.150 nan 0.000 0.448 240 L N -0.896 120.311 121.223 -0.028 0.000 2.027 240 L HA -0.152 4.188 4.340 -0.000 0.000 0.206 240 L C 2.523 179.324 176.870 -0.114 0.000 1.074 240 L CA 1.202 56.016 54.840 -0.043 0.000 0.745 240 L CB -0.462 41.581 42.059 -0.027 0.000 0.898 240 L HN 0.384 nan 8.230 nan 0.000 0.433 241 I N -0.992 119.446 120.570 -0.221 0.000 2.113 241 I HA -0.341 3.829 4.170 -0.000 0.000 0.238 241 I C 2.828 178.775 176.117 -0.283 0.000 1.070 241 I CA 1.536 62.573 61.300 -0.437 0.000 1.332 241 I CB -0.353 37.250 38.000 -0.662 0.000 1.044 241 I HN 0.177 nan 8.210 nan 0.000 0.402 242 S N 0.754 116.351 115.700 -0.170 0.000 2.400 242 S HA -0.259 4.211 4.470 -0.000 0.000 0.232 242 S C 1.998 176.598 174.600 -0.001 0.000 1.025 242 S CA 2.020 60.202 58.200 -0.031 0.000 0.993 242 S CB -0.273 63.008 63.200 0.135 0.000 0.808 242 S HN 0.468 nan 8.310 nan 0.000 0.478 243 K N 0.718 121.107 120.400 -0.019 0.000 2.365 243 K HA 0.004 4.324 4.320 -0.000 0.000 0.199 243 K C 0.928 177.510 176.600 -0.029 0.000 1.045 243 K CA 1.528 57.803 56.287 -0.021 0.000 0.962 243 K CB -0.337 32.151 32.500 -0.020 0.000 0.759 243 K HN 0.393 nan 8.250 nan 0.000 0.469 244 T N -1.426 113.109 114.554 -0.031 0.000 3.242 244 T HA 0.665 5.015 4.350 -0.000 0.000 0.253 244 T C 0.306 175.024 174.700 0.029 0.000 0.946 244 T CA -0.359 61.738 62.100 -0.005 0.000 0.944 244 T CB -0.225 68.652 68.868 0.015 0.000 1.122 244 T HN 0.497 nan 8.240 nan 0.000 0.546 245 A N 0.156 122.995 122.820 0.031 0.000 6.500 245 A HA 0.356 4.676 4.320 -0.000 0.000 0.250 245 A C 0.782 178.440 177.584 0.124 0.000 2.143 245 A CA 0.146 52.243 52.037 0.099 0.000 0.705 245 A CB -1.726 17.381 19.000 0.179 0.000 1.015 245 A HN 2.627 nan 8.150 nan 0.000 0.374 246 G N -2.049 106.873 108.800 0.203 0.000 3.137 246 G HA2 0.560 4.520 3.960 -0.000 0.000 0.686 246 G HA3 0.560 4.520 3.960 -0.000 0.000 0.686 246 G C 0.802 175.822 174.900 0.199 0.000 0.988 246 G CA 0.757 46.029 45.100 0.286 0.000 0.789 246 G HN 2.877 nan 8.290 nan 0.000 0.544 247 G N -0.020 108.932 108.800 0.253 0.000 2.489 247 G HA2 0.848 4.808 3.960 -0.000 0.000 0.327 247 G HA3 0.848 4.808 3.960 -0.000 0.000 0.327 247 G C -0.576 174.424 174.900 0.167 0.000 1.189 247 G CA -1.006 44.205 45.100 0.186 0.000 0.962 247 G HN 0.909 nan 8.290 nan 0.000 0.486 248 I N 0.068 120.679 120.570 0.068 0.000 2.530 248 I HA 0.558 4.728 4.170 -0.000 0.000 0.297 248 I C 0.647 176.825 176.117 0.102 0.000 1.011 248 I CA -0.437 60.860 61.300 -0.005 0.000 1.107 248 I CB 2.407 40.200 38.000 -0.345 0.000 1.285 248 I HN 0.559 nan 8.210 nan 0.000 0.436 249 G N 5.438 114.294 108.800 0.094 0.000 2.372 249 G HA2 0.643 4.603 3.960 -0.000 0.000 0.323 249 G HA3 0.643 4.603 3.960 -0.000 0.000 0.323 249 G C -1.671 173.249 174.900 0.033 0.000 1.152 249 G CA -0.349 44.847 45.100 0.160 0.000 0.906 249 G HN 0.437 nan 8.290 nan 0.000 0.460 250 L N 3.670 124.937 121.223 0.074 0.000 2.404 250 L HA 0.448 4.788 4.340 -0.000 0.000 0.272 250 L C -0.311 176.460 176.870 -0.166 0.000 0.980 250 L CA -1.086 53.676 54.840 -0.131 0.000 0.836 250 L CB 1.147 43.095 42.059 -0.186 0.000 1.238 250 L HN 0.741 nan 8.230 nan 0.000 0.408 251 H N 4.849 123.731 119.070 -0.313 0.000 2.502 251 H HA 0.454 5.010 4.556 -0.000 0.000 0.327 251 H C 0.209 175.206 175.328 -0.553 0.000 1.099 251 H CA -0.623 55.108 56.048 -0.528 0.000 1.323 251 H CB 1.482 30.818 29.762 -0.711 0.000 1.450 251 H HN 0.828 nan 8.280 nan 0.000 0.502 252 I N -0.396 119.803 120.570 -0.618 0.000 3.817 252 I HA 0.123 4.293 4.170 -0.000 0.000 0.325 252 I C 0.375 176.260 176.117 -0.386 0.000 1.550 252 I CA -0.717 60.303 61.300 -0.466 0.000 1.100 252 I CB -0.039 37.701 38.000 -0.433 0.000 1.216 252 I HN 0.383 nan 8.210 nan 0.000 0.481 253 H N 2.837 121.824 119.070 -0.138 0.000 2.460 253 H HA -0.114 4.442 4.556 -0.000 0.000 0.297 253 H C 1.279 176.703 175.328 0.159 0.000 1.103 253 H CA 1.792 57.805 56.048 -0.057 0.000 1.292 253 H CB -0.485 29.340 29.762 0.105 0.000 1.376 253 H HN 0.666 nan 8.280 nan 0.000 0.531 254 N N 0.835 119.665 118.700 0.217 0.000 2.336 254 N HA 0.032 4.772 4.740 -0.000 0.000 0.189 254 N C 0.373 175.999 175.510 0.192 0.000 1.113 254 N CA 0.019 53.211 53.050 0.236 0.000 0.858 254 N CB 0.146 38.738 38.487 0.175 0.000 0.970 254 N HN 0.235 nan 8.380 nan 0.000 0.471 255 I N 1.966 122.638 120.570 0.169 0.000 2.385 255 I HA 0.173 4.343 4.170 -0.000 0.000 0.294 255 I C 0.733 177.016 176.117 0.277 0.000 0.988 255 I CA -1.122 60.273 61.300 0.158 0.000 1.265 255 I CB 1.271 39.308 38.000 0.062 0.000 1.388 255 I HN 0.046 nan 8.210 nan 0.000 0.480 256 R N 4.630 125.249 120.500 0.197 0.000 2.590 256 R HA 0.286 4.626 4.340 -0.000 0.000 0.274 256 R C -0.013 176.389 176.300 0.170 0.000 1.061 256 R CA -0.555 55.648 56.100 0.173 0.000 1.081 256 R CB 0.442 30.815 30.300 0.123 0.000 0.984 256 R HN 0.683 nan 8.270 nan 0.000 0.448 257 S N 1.790 117.542 115.700 0.087 0.000 2.641 257 S HA 0.095 4.565 4.470 -0.000 0.000 0.261 257 S C 0.002 174.650 174.600 0.080 0.000 1.257 257 S CA -0.763 57.477 58.200 0.068 0.000 0.983 257 S CB 0.698 63.840 63.200 -0.097 0.000 0.990 257 S HN 0.640 nan 8.310 nan 0.000 0.572 258 T N 1.531 116.134 114.554 0.082 0.000 2.871 258 T HA 0.450 4.800 4.350 -0.000 0.000 0.296 258 T C 0.890 175.621 174.700 0.053 0.000 0.998 258 T CA 1.204 63.346 62.100 0.070 0.000 1.162 258 T CB -0.568 68.344 68.868 0.072 0.000 0.947 258 T HN 1.644 nan 8.240 nan 0.000 0.536 259 G N 3.035 111.865 108.800 0.049 0.000 2.531 259 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.283 259 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.283 259 G C -0.061 174.872 174.900 0.055 0.000 1.068 259 G CA -0.301 44.826 45.100 0.045 0.000 1.273 259 G HN 0.813 nan 8.290 nan 0.000 0.532 260 S N -0.581 115.157 115.700 0.064 0.000 2.564 260 S HA 0.617 5.087 4.470 -0.000 0.000 0.274 260 S C -0.344 174.325 174.600 0.115 0.000 1.124 260 S CA -0.822 57.433 58.200 0.092 0.000 0.869 260 S CB 1.684 64.937 63.200 0.088 0.000 1.105 260 S HN 0.749 nan 8.310 nan 0.000 0.472 261 Y N 2.265 122.577 120.300 0.020 0.000 2.788 261 Y HA 0.259 4.809 4.550 -0.000 0.000 0.341 261 Y C -0.396 175.519 175.900 0.025 0.000 1.258 261 Y CA 0.732 58.843 58.100 0.019 0.000 1.503 261 Y CB 0.197 38.665 38.460 0.014 0.000 1.325 261 Y HN 0.445 nan 8.280 nan 0.000 0.614 262 I N 5.158 125.313 120.570 -0.692 0.000 2.571 262 I HA 0.416 4.586 4.170 -0.000 0.000 0.289 262 I C -0.580 175.069 176.117 -0.779 0.000 1.115 262 I CA -1.140 59.865 61.300 -0.492 0.000 1.045 262 I CB 1.761 39.626 38.000 -0.226 0.000 1.238 262 I HN 0.703 nan 8.210 nan 0.000 0.424 263 A N 3.985 126.558 122.820 -0.412 0.000 2.477 263 A HA 0.554 4.874 4.320 -0.000 0.000 0.246 263 A C 1.098 178.597 177.584 -0.143 0.000 1.078 263 A CA 0.725 52.644 52.037 -0.196 0.000 0.770 263 A CB -0.151 18.883 19.000 0.057 0.000 1.011 263 A HN 1.519 nan 8.150 nan 0.000 0.494 264 G N 2.252 110.993 108.800 -0.100 0.000 2.164 264 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.212 264 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.212 264 G C 0.125 174.956 174.900 -0.114 0.000 1.031 264 G CA 0.046 45.100 45.100 -0.077 0.000 0.730 264 G HN 1.303 nan 8.290 nan 0.000 0.501 265 T N -0.275 114.185 114.554 -0.157 0.000 2.799 265 T HA 0.441 4.791 4.350 -0.000 0.000 0.296 265 T C 1.123 175.776 174.700 -0.078 0.000 0.947 265 T CA 0.752 62.734 62.100 -0.198 0.000 1.141 265 T CB 1.101 69.837 68.868 -0.221 0.000 0.891 265 T HN 0.500 nan 8.240 nan 0.000 0.533 266 N N 0.786 119.442 118.700 -0.073 0.000 2.268 266 N HA 0.175 4.915 4.740 -0.000 0.000 0.256 266 N C 1.131 176.618 175.510 -0.038 0.000 1.090 266 N CA -0.404 52.627 53.050 -0.033 0.000 0.806 266 N CB 0.428 38.904 38.487 -0.019 0.000 1.644 266 N HN 0.670 nan 8.380 nan 0.000 0.544 267 G N 1.090 109.857 108.800 -0.055 0.000 2.272 267 G HA2 0.111 4.071 3.960 -0.000 0.000 0.247 267 G HA3 0.111 4.071 3.960 -0.000 0.000 0.247 267 G C -0.149 174.718 174.900 -0.055 0.000 1.272 267 G CA 0.561 45.633 45.100 -0.046 0.000 0.921 267 G HN -0.065 nan 8.290 nan 0.000 0.495 268 T N 1.211 115.754 114.554 -0.018 0.000 2.913 268 T HA 0.411 4.761 4.350 -0.000 0.000 0.287 268 T C 1.055 175.757 174.700 0.004 0.000 1.008 268 T CA -0.190 61.910 62.100 0.000 0.000 1.067 268 T CB 0.823 69.704 68.868 0.021 0.000 0.996 268 T HN 0.684 nan 8.240 nan 0.000 0.513 269 S N 2.236 117.947 115.700 0.018 0.000 2.573 269 S HA 0.091 4.561 4.470 -0.000 0.000 0.277 269 S C 1.117 175.742 174.600 0.041 0.000 1.346 269 S CA -0.031 58.187 58.200 0.031 0.000 1.034 269 S CB 0.003 63.233 63.200 0.050 0.000 0.879 269 S HN 0.780 nan 8.310 nan 0.000 0.528 270 N N 1.517 120.245 118.700 0.046 0.000 2.280 270 N HA 0.310 5.050 4.740 -0.000 0.000 0.192 270 N C 0.722 176.272 175.510 0.067 0.000 1.109 270 N CA 0.276 53.356 53.050 0.050 0.000 0.855 270 N CB 0.256 38.769 38.487 0.044 0.000 0.974 270 N HN 0.894 nan 8.380 nan 0.000 0.482 271 G N 0.684 109.533 108.800 0.082 0.000 2.681 271 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.220 271 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.220 271 G C 0.457 175.424 174.900 0.111 0.000 1.353 271 G CA -0.471 44.695 45.100 0.110 0.000 0.872 271 G HN 0.092 nan 8.290 nan 0.000 0.557 272 L N 0.079 121.380 121.223 0.130 0.000 2.056 272 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 272 L C 3.152 180.072 176.870 0.084 0.000 1.078 272 L CA 1.038 55.932 54.840 0.091 0.000 0.749 272 L CB -0.520 41.575 42.059 0.059 0.000 0.901 272 L HN 0.574 nan 8.230 nan 0.000 0.433 273 I N 0.353 120.977 120.570 0.091 0.000 2.113 273 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 273 I C 0.039 176.191 176.117 0.058 0.000 1.064 273 I CA 2.098 63.440 61.300 0.070 0.000 1.320 273 I CB -2.541 35.495 38.000 0.061 0.000 1.028 273 I HN 0.157 nan 8.210 nan 0.000 0.406 274 P HA -0.204 nan 4.420 nan 0.000 0.216 274 P C 2.186 179.532 177.300 0.075 0.000 1.153 274 P CA 1.609 64.743 63.100 0.056 0.000 0.858 274 P CB -0.139 31.595 31.700 0.057 0.000 0.789 275 M N -1.130 118.528 119.600 0.097 0.000 2.067 275 M HA -0.172 4.308 4.480 -0.000 0.000 0.260 275 M C 2.007 178.436 176.300 0.215 0.000 1.069 275 M CA 1.996 57.385 55.300 0.148 0.000 1.117 275 M CB -0.744 31.939 32.600 0.137 0.000 1.334 275 M HN -0.179 nan 8.290 nan 0.000 0.407 276 I N 0.117 120.769 120.570 0.136 0.000 2.185 276 I HA -0.384 3.786 4.170 -0.000 0.000 0.246 276 I C 2.455 178.632 176.117 0.100 0.000 1.088 276 I CA 1.488 62.855 61.300 0.112 0.000 1.347 276 I CB -0.460 37.571 38.000 0.052 0.000 1.041 276 I HN 0.332 nan 8.210 nan 0.000 0.415 277 R N -0.102 120.433 120.500 0.058 0.000 2.189 277 R HA -0.060 4.280 4.340 -0.000 0.000 0.223 277 R C 2.219 178.525 176.300 0.009 0.000 1.092 277 R CA 0.935 57.044 56.100 0.015 0.000 0.989 277 R CB -0.280 30.020 30.300 0.000 0.000 0.876 277 R HN 0.302 nan 8.270 nan 0.000 0.457 278 V N 0.378 120.313 119.914 0.035 0.000 2.323 278 V HA -0.205 3.915 4.120 -0.000 0.000 0.244 278 V C 1.916 177.931 176.094 -0.132 0.000 1.041 278 V CA 1.649 63.914 62.300 -0.059 0.000 1.025 278 V CB -0.509 31.254 31.823 -0.100 0.000 0.656 278 V HN 0.113 nan 8.190 nan 0.000 0.451 279 F N 0.818 120.716 119.950 -0.087 0.000 2.102 279 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 279 F C 2.397 178.068 175.800 -0.215 0.000 1.105 279 F CA 2.159 60.108 58.000 -0.086 0.000 1.239 279 F CB -0.625 38.369 39.000 -0.009 0.000 0.991 279 F HN 0.202 nan 8.300 nan 0.000 0.474 280 N N 0.573 119.257 118.700 -0.028 0.000 2.149 280 N HA -0.271 4.469 4.740 -0.000 0.000 0.188 280 N C 1.542 176.961 175.510 -0.151 0.000 1.019 280 N CA 1.668 54.625 53.050 -0.154 0.000 0.857 280 N CB -0.392 38.025 38.487 -0.116 0.000 0.997 280 N HN 0.249 nan 8.380 nan 0.000 0.426 281 N N -1.322 117.317 118.700 -0.101 0.000 2.188 281 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 281 N C 1.429 176.906 175.510 -0.056 0.000 1.018 281 N CA 1.626 54.630 53.050 -0.076 0.000 0.858 281 N CB -0.441 38.003 38.487 -0.071 0.000 0.989 281 N HN 0.089 nan 8.380 nan 0.000 0.426 282 T N -0.366 114.134 114.554 -0.091 0.000 2.777 282 T HA 0.035 4.385 4.350 -0.000 0.000 0.266 282 T C 1.799 176.497 174.700 -0.004 0.000 1.040 282 T CA 1.117 63.206 62.100 -0.018 0.000 1.141 282 T CB -0.597 68.226 68.868 -0.074 0.000 0.868 282 T HN 0.447 nan 8.240 nan 0.000 0.444 283 A N 1.988 124.666 122.820 -0.236 0.000 1.892 283 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 283 A C 2.335 179.848 177.584 -0.119 0.000 1.188 283 A CA 1.877 53.695 52.037 -0.365 0.000 0.631 283 A CB -0.551 17.977 19.000 -0.786 0.000 0.822 283 A HN 0.470 nan 8.150 nan 0.000 0.447 284 R N -2.545 117.900 120.500 -0.092 0.000 2.092 284 R HA -0.106 4.234 4.340 -0.000 0.000 0.231 284 R C 2.184 178.500 176.300 0.027 0.000 1.119 284 R CA 1.465 57.544 56.100 -0.034 0.000 0.970 284 R CB -0.486 29.793 30.300 -0.035 0.000 0.864 284 R HN 0.695 nan 8.270 nan 0.000 0.440 285 Y N 0.890 121.155 120.300 -0.058 0.000 2.145 285 Y HA -0.194 4.356 4.550 0.000 0.000 0.286 285 Y C 2.156 178.044 175.900 -0.019 0.000 1.145 285 Y CA 1.246 59.324 58.100 -0.037 0.000 1.148 285 Y CB -0.454 37.984 38.460 -0.037 0.000 0.981 285 Y HN -0.162 nan 8.280 nan 0.000 0.507 286 V N 0.577 120.437 119.914 -0.089 0.000 2.427 286 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 286 V C 0.627 176.634 176.094 -0.146 0.000 1.051 286 V CA 1.903 64.115 62.300 -0.147 0.000 1.048 286 V CB -0.673 31.175 31.823 0.043 0.000 0.666 286 V HN 0.382 nan 8.190 nan 0.000 0.456 287 D N 0.941 121.292 120.400 -0.081 0.000 2.482 287 D HA -0.031 4.609 4.640 -0.000 0.000 0.244 287 D C 1.505 177.737 176.300 -0.112 0.000 1.242 287 D CA 0.050 54.009 54.000 -0.069 0.000 1.097 287 D CB 0.549 41.334 40.800 -0.026 0.000 1.109 287 D HN 0.652 nan 8.370 nan 0.000 0.510 288 Q N 2.577 122.288 119.800 -0.149 0.000 2.432 288 Q HA 0.114 4.454 4.340 -0.000 0.000 0.205 288 Q C 0.776 176.712 176.000 -0.106 0.000 0.945 288 Q CA 0.922 56.623 55.803 -0.170 0.000 0.924 288 Q CB 0.436 29.050 28.738 -0.205 0.000 1.016 288 Q HN 0.428 nan 8.270 nan 0.000 0.503 289 G N -0.317 108.432 108.800 -0.085 0.000 2.451 289 G HA2 0.088 4.048 3.960 -0.000 0.000 0.083 289 G HA3 0.088 4.048 3.960 -0.000 0.000 0.083 289 G C -0.289 174.570 174.900 -0.068 0.000 1.107 289 G CA -0.255 44.805 45.100 -0.066 0.000 1.117 289 G HN 0.456 nan 8.290 nan 0.000 0.454 290 G N 1.736 110.493 108.800 -0.072 0.000 2.384 290 G HA2 0.222 4.182 3.960 -0.000 0.000 0.289 290 G HA3 0.222 4.182 3.960 -0.000 0.000 0.289 290 G C 0.365 175.198 174.900 -0.112 0.000 0.823 290 G CA 0.594 45.644 45.100 -0.083 0.000 1.740 290 G HN 0.577 nan 8.290 nan 0.000 0.422 291 N N 1.077 119.719 118.700 -0.096 0.000 2.345 291 N HA 0.044 4.784 4.740 -0.000 0.000 0.243 291 N C 0.819 176.210 175.510 -0.200 0.000 1.246 291 N CA 0.652 53.638 53.050 -0.106 0.000 0.863 291 N CB 0.536 38.993 38.487 -0.050 0.000 1.096 291 N HN 0.519 nan 8.380 nan 0.000 0.446 292 K N 1.971 122.242 120.400 -0.215 0.000 3.118 292 K HA 0.062 4.382 4.320 -0.000 0.000 0.157 292 K C -0.058 176.452 176.600 -0.151 0.000 1.043 292 K CA -0.067 55.992 56.287 -0.379 0.000 1.073 292 K CB 0.564 32.642 32.500 -0.703 0.000 0.685 292 K HN 0.260 nan 8.250 nan 0.000 0.390 293 R N 1.173 121.655 120.500 -0.029 0.000 2.600 293 R HA 0.169 4.509 4.340 -0.000 0.000 0.392 293 R C -2.413 173.947 176.300 0.101 0.000 1.032 293 R CA -1.420 54.692 56.100 0.019 0.000 1.139 293 R CB -0.033 30.263 30.300 -0.008 0.000 1.400 293 R HN -0.127 nan 8.270 nan 0.000 0.566 294 P HA -0.155 nan 4.420 nan 0.000 0.044 294 P C 0.029 177.468 177.300 0.233 0.000 0.521 294 P CA 1.208 64.424 63.100 0.193 0.000 1.057 294 P CB -0.654 31.172 31.700 0.210 0.000 1.807 295 G N 1.860 110.780 108.800 0.200 0.000 3.197 295 G HA2 0.373 4.333 3.960 -0.000 0.000 0.257 295 G HA3 0.373 4.333 3.960 -0.000 0.000 0.257 295 G C 0.114 175.154 174.900 0.234 0.000 0.835 295 G CA 0.381 45.601 45.100 0.200 0.000 2.001 295 G HN 0.645 nan 8.290 nan 0.000 0.625 296 A N 1.349 124.432 122.820 0.438 0.000 2.480 296 A HA 0.711 5.031 4.320 -0.000 0.000 0.289 296 A C -0.989 177.060 177.584 0.776 0.000 1.044 296 A CA -0.684 51.667 52.037 0.525 0.000 0.761 296 A CB 0.889 20.211 19.000 0.536 0.000 1.289 296 A HN 0.320 nan 8.150 nan 0.000 0.401 297 F N 1.600 121.709 119.950 0.264 0.000 2.508 297 F HA 0.710 5.237 4.527 -0.000 0.000 0.325 297 F C 0.743 176.714 175.800 0.285 0.000 1.090 297 F CA -1.070 57.061 58.000 0.218 0.000 0.945 297 F CB 2.394 41.478 39.000 0.139 0.000 1.156 297 F HN 0.735 nan 8.300 nan 0.000 0.463 298 A N 3.993 127.072 122.820 0.433 0.000 2.317 298 A HA 0.798 5.118 4.320 -0.000 0.000 0.327 298 A C -0.998 176.714 177.584 0.213 0.000 1.178 298 A CA -0.619 51.603 52.037 0.309 0.000 0.817 298 A CB 0.929 20.128 19.000 0.333 0.000 1.189 298 A HN 0.770 nan 8.150 nan 0.000 0.489 299 L N 1.603 122.869 121.223 0.072 0.000 2.325 299 L HA 0.497 4.837 4.340 -0.000 0.000 0.278 299 L C -1.263 175.607 176.870 0.001 0.000 1.023 299 L CA -0.587 54.303 54.840 0.083 0.000 0.811 299 L CB 1.365 43.504 42.059 0.132 0.000 1.249 299 L HN 0.707 nan 8.230 nan 0.000 0.431 300 Y N 3.210 123.460 120.300 -0.083 0.000 2.364 300 Y HA 0.644 5.194 4.550 -0.000 0.000 0.340 300 Y C -0.276 175.426 175.900 -0.330 0.000 0.975 300 Y CA -0.479 57.556 58.100 -0.108 0.000 1.089 300 Y CB 1.983 40.326 38.460 -0.195 0.000 1.192 300 Y HN 0.330 nan 8.280 nan 0.000 0.454 301 L N 3.132 124.276 121.223 -0.132 0.000 2.472 301 L HA 0.432 4.772 4.340 -0.000 0.000 0.260 301 L C -1.058 175.752 176.870 -0.099 0.000 0.963 301 L CA -0.750 53.901 54.840 -0.315 0.000 0.829 301 L CB 2.407 43.754 42.059 -1.187 0.000 1.348 301 L HN 0.667 nan 8.230 nan 0.000 0.408 302 E N 4.827 124.910 120.200 -0.195 0.000 2.313 302 E HA 0.184 4.534 4.350 -0.000 0.000 0.276 302 E C -1.755 174.510 176.600 -0.559 0.000 1.031 302 E CA -1.656 54.492 56.400 -0.420 0.000 0.857 302 E CB 1.175 30.481 29.700 -0.657 0.000 1.040 302 E HN 0.354 nan 8.360 nan 0.000 0.408 303 P HA -0.141 nan 4.420 nan 0.000 0.242 303 P C 0.464 177.938 177.300 0.291 0.000 1.198 303 P CA 0.907 63.846 63.100 -0.268 0.000 0.756 303 P CB -0.187 31.021 31.700 -0.819 0.000 0.911 304 W N -1.847 119.791 121.300 0.563 0.000 3.211 304 W HA 0.165 4.825 4.660 0.000 0.000 0.292 304 W C 0.458 177.183 176.519 0.344 0.000 1.268 304 W CA -0.485 57.170 57.345 0.517 0.000 1.702 304 W CB -1.451 28.342 29.460 0.555 0.000 1.092 304 W HN -0.020 nan 8.180 nan 0.000 0.643 305 H N 1.978 121.041 119.070 -0.012 0.000 2.929 305 H HA 0.214 4.770 4.556 0.000 0.000 0.317 305 H C 1.342 176.762 175.328 0.152 0.000 1.031 305 H CA 0.988 57.066 56.048 0.050 0.000 1.466 305 H CB 1.864 31.432 29.762 -0.325 0.000 1.482 305 H HN 0.096 nan 8.280 nan 0.000 0.561 306 A N 4.294 127.072 122.820 -0.070 0.000 2.131 306 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 306 A C 1.347 179.015 177.584 0.139 0.000 1.158 306 A CA 1.506 53.561 52.037 0.030 0.000 0.665 306 A CB 0.012 18.988 19.000 -0.039 0.000 0.795 306 A HN 0.714 nan 8.150 nan 0.000 0.460 307 D N -1.074 119.482 120.400 0.260 0.000 2.368 307 D HA 0.105 4.745 4.640 -0.000 0.000 0.218 307 D C 1.271 177.743 176.300 0.286 0.000 1.112 307 D CA -0.219 53.962 54.000 0.302 0.000 0.834 307 D CB 0.138 41.127 40.800 0.316 0.000 0.953 307 D HN 0.372 nan 8.370 nan 0.000 0.505 308 I N 0.091 120.803 120.570 0.236 0.000 2.151 308 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 308 I C 1.711 177.890 176.117 0.103 0.000 1.080 308 I CA 1.442 62.805 61.300 0.105 0.000 1.339 308 I CB -0.307 37.669 38.000 -0.040 0.000 1.039 308 I HN -0.109 nan 8.210 nan 0.000 0.409 309 F N 0.744 120.781 119.950 0.146 0.000 2.126 309 F HA -0.268 4.259 4.527 -0.000 0.000 0.299 309 F C 2.362 178.209 175.800 0.078 0.000 1.096 309 F CA 1.938 60.002 58.000 0.107 0.000 1.255 309 F CB -0.548 38.516 39.000 0.106 0.000 0.997 309 F HN 0.144 nan 8.300 nan 0.000 0.479 310 D N -0.484 120.082 120.400 0.277 0.000 2.097 310 D HA -0.185 4.455 4.640 -0.000 0.000 0.197 310 D C 2.009 178.368 176.300 0.099 0.000 0.984 310 D CA 0.987 55.081 54.000 0.158 0.000 0.826 310 D CB -0.755 40.129 40.800 0.141 0.000 0.973 310 D HN 0.192 nan 8.370 nan 0.000 0.460 311 F N 1.416 121.359 119.950 -0.011 0.000 2.065 311 F HA -0.248 4.279 4.527 0.000 0.000 0.298 311 F C 2.108 177.835 175.800 -0.122 0.000 1.112 311 F CA 1.040 58.990 58.000 -0.083 0.000 1.212 311 F CB -0.432 38.501 39.000 -0.111 0.000 0.975 311 F HN -0.134 nan 8.300 nan 0.000 0.476 312 I N 0.644 121.139 120.570 -0.125 0.000 2.502 312 I HA -0.286 3.884 4.170 -0.000 0.000 0.258 312 I C 1.435 177.380 176.117 -0.287 0.000 1.172 312 I CA 1.670 62.817 61.300 -0.255 0.000 1.430 312 I CB -0.636 37.286 38.000 -0.129 0.000 1.086 312 I HN 0.171 nan 8.210 nan 0.000 0.440 313 D N -0.964 119.311 120.400 -0.209 0.000 2.389 313 D HA 0.083 4.723 4.640 -0.000 0.000 0.206 313 D C 2.147 178.313 176.300 -0.224 0.000 1.055 313 D CA 0.026 53.920 54.000 -0.177 0.000 0.856 313 D CB 0.204 40.953 40.800 -0.085 0.000 0.957 313 D HN 0.045 nan 8.370 nan 0.000 0.509 314 I N 1.085 121.488 120.570 -0.278 0.000 2.317 314 I HA -0.359 3.811 4.170 -0.000 0.000 0.252 314 I C 1.824 177.781 176.117 -0.267 0.000 1.018 314 I CA 1.678 62.804 61.300 -0.290 0.000 1.330 314 I CB -0.387 37.356 38.000 -0.429 0.000 1.014 314 I HN 0.115 nan 8.210 nan 0.000 0.439 315 R N -0.553 119.783 120.500 -0.273 0.000 2.334 315 R HA 0.102 4.442 4.340 -0.000 0.000 0.212 315 R C 0.612 176.792 176.300 -0.200 0.000 0.897 315 R CA -0.219 55.737 56.100 -0.241 0.000 1.056 315 R CB 0.406 30.563 30.300 -0.238 0.000 1.046 315 R HN 0.304 nan 8.270 nan 0.000 0.513 316 K N 1.161 121.427 120.400 -0.225 0.000 2.436 316 K HA -0.006 4.314 4.320 -0.000 0.000 0.275 316 K C 0.529 176.966 176.600 -0.272 0.000 0.999 316 K CA -0.109 56.010 56.287 -0.281 0.000 0.980 316 K CB 0.535 32.781 32.500 -0.423 0.000 0.919 316 K HN -0.001 nan 8.250 nan 0.000 0.484 317 N N 1.817 120.384 118.700 -0.221 0.000 2.148 317 N HA -0.079 4.661 4.740 -0.000 0.000 0.186 317 N C 0.616 176.066 175.510 -0.101 0.000 1.031 317 N CA 1.029 54.008 53.050 -0.119 0.000 0.848 317 N CB -0.381 38.089 38.487 -0.028 0.000 1.005 317 N HN 0.635 nan 8.380 nan 0.000 0.427 318 H N -1.171 117.884 119.070 -0.026 0.000 2.465 318 H HA 0.499 5.055 4.556 -0.000 0.000 0.367 318 H C 1.207 176.524 175.328 -0.018 0.000 1.737 318 H CA -0.202 55.835 56.048 -0.018 0.000 1.447 318 H CB -0.287 29.468 29.762 -0.012 0.000 1.620 318 H HN 0.342 nan 8.280 nan 0.000 0.587 319 G N -0.580 108.306 108.800 0.144 0.000 2.681 319 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.220 319 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.220 319 G C -1.218 173.689 174.900 0.013 0.000 1.353 319 G CA -0.335 44.804 45.100 0.066 0.000 0.872 319 G HN 0.818 nan 8.290 nan 0.000 0.557 320 K N 1.034 121.434 120.400 -0.000 0.000 2.297 320 K HA 0.511 4.831 4.320 -0.000 0.000 0.286 320 K C 0.902 177.487 176.600 -0.025 0.000 1.053 320 K CA -0.192 56.092 56.287 -0.006 0.000 0.940 320 K CB 1.212 33.713 32.500 0.002 0.000 1.019 320 K HN 0.446 nan 8.250 nan 0.000 0.475 321 E N 2.072 122.258 120.200 -0.023 0.000 2.435 321 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 321 E C 0.651 177.232 176.600 -0.032 0.000 1.029 321 E CA 0.528 56.908 56.400 -0.034 0.000 0.865 321 E CB 0.139 29.822 29.700 -0.029 0.000 0.833 321 E HN 0.581 nan 8.360 nan 0.000 0.510 322 E N 0.839 121.027 120.200 -0.021 0.000 2.106 322 E HA -0.013 4.337 4.350 -0.000 0.000 0.192 322 E C 1.481 178.071 176.600 -0.017 0.000 0.984 322 E CA 0.421 56.812 56.400 -0.015 0.000 0.806 322 E CB -0.020 29.677 29.700 -0.005 0.000 0.750 322 E HN 0.136 nan 8.360 nan 0.000 0.458 323 I N 0.314 120.872 120.570 -0.020 0.000 3.806 323 I HA 0.077 4.247 4.170 -0.000 0.000 0.321 323 I C 0.117 176.204 176.117 -0.049 0.000 1.315 323 I CA 0.098 61.387 61.300 -0.019 0.000 1.148 323 I CB 0.099 38.097 38.000 -0.004 0.000 1.028 323 I HN -0.135 nan 8.210 nan 0.000 0.415 324 R N 0.536 120.997 120.500 -0.064 0.000 2.912 324 R HA 0.849 5.189 4.340 -0.000 0.000 0.262 324 R C -1.407 174.829 176.300 -0.107 0.000 1.057 324 R CA -0.613 55.427 56.100 -0.100 0.000 0.981 324 R CB 2.002 32.238 30.300 -0.107 0.000 1.201 324 R HN -0.010 nan 8.270 nan 0.000 0.484 325 A N 1.710 124.443 122.820 -0.146 0.000 2.483 325 A HA 0.307 4.627 4.320 -0.000 0.000 0.298 325 A C -0.843 176.606 177.584 -0.225 0.000 1.052 325 A CA -0.626 51.313 52.037 -0.163 0.000 0.978 325 A CB 0.890 19.801 19.000 -0.149 0.000 1.506 325 A HN 0.712 nan 8.150 nan 0.000 0.388 326 R N 0.586 120.958 120.500 -0.213 0.000 2.362 326 R HA 0.202 4.542 4.340 -0.000 0.000 0.227 326 R C 0.526 176.634 176.300 -0.320 0.000 0.905 326 R CA 0.238 56.183 56.100 -0.258 0.000 1.067 326 R CB 0.419 30.610 30.300 -0.182 0.000 1.078 326 R HN 0.594 nan 8.270 nan 0.000 0.516 327 D N -0.676 119.543 120.400 -0.302 0.000 2.349 327 D HA 0.081 4.721 4.640 -0.000 0.000 0.214 327 D C -0.467 175.591 176.300 -0.404 0.000 1.063 327 D CA 0.293 54.111 54.000 -0.303 0.000 0.847 327 D CB 0.480 41.146 40.800 -0.223 0.000 0.933 327 D HN -0.045 nan 8.370 nan 0.000 0.513 328 L N -0.071 120.860 121.223 -0.487 0.000 2.313 328 L HA 0.489 4.829 4.340 -0.000 0.000 0.268 328 L C -0.793 175.666 176.870 -0.685 0.000 1.010 328 L CA -0.743 53.850 54.840 -0.412 0.000 0.814 328 L CB 1.364 43.266 42.059 -0.263 0.000 1.304 328 L HN -0.231 nan 8.230 nan 0.000 0.441 329 F N 2.731 122.583 119.950 -0.163 0.000 2.539 329 F HA 0.474 5.001 4.527 -0.000 0.000 0.328 329 F C -2.125 173.368 175.800 -0.512 0.000 1.148 329 F CA -1.830 55.963 58.000 -0.345 0.000 0.940 329 F CB 1.630 40.458 39.000 -0.288 0.000 1.194 329 F HN 0.264 nan 8.300 nan 0.000 0.438 330 P HA 0.442 nan 4.420 nan 0.000 0.279 330 P C -1.226 175.691 177.300 -0.637 0.000 1.239 330 P CA -0.198 62.467 63.100 -0.724 0.000 0.789 330 P CB 1.791 32.828 31.700 -1.105 0.000 0.933 331 A N 3.831 126.433 122.820 -0.363 0.000 2.427 331 A HA 0.594 4.914 4.320 -0.000 0.000 0.298 331 A C -0.815 176.691 177.584 -0.130 0.000 1.036 331 A CA -0.779 51.010 52.037 -0.413 0.000 0.701 331 A CB 0.980 19.455 19.000 -0.876 0.000 1.250 331 A HN 0.452 nan 8.150 nan 0.000 0.412 332 L N 2.297 123.498 121.223 -0.036 0.000 2.292 332 L HA 0.330 4.670 4.340 -0.000 0.000 0.284 332 L C -0.327 176.651 176.870 0.180 0.000 1.065 332 L CA -0.272 54.584 54.840 0.025 0.000 0.806 332 L CB 1.199 43.194 42.059 -0.106 0.000 1.175 332 L HN 0.813 nan 8.230 nan 0.000 0.431 333 W N 6.719 128.010 121.300 -0.015 0.000 2.309 333 W HA 0.451 5.111 4.660 -0.000 0.000 0.332 333 W C -1.118 175.342 176.519 -0.099 0.000 0.962 333 W CA -0.679 56.679 57.345 0.021 0.000 1.497 333 W CB 0.871 30.414 29.460 0.138 0.000 1.308 333 W HN 0.397 nan 8.180 nan 0.000 0.384 334 I N 7.951 128.366 120.570 -0.258 0.000 2.331 334 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 334 I C -1.892 174.111 176.117 -0.190 0.000 0.998 334 I CA -2.122 59.057 61.300 -0.200 0.000 1.267 334 I CB 1.446 39.369 38.000 -0.128 0.000 1.386 334 I HN 0.110 nan 8.210 nan 0.000 0.476 335 P HA 0.164 nan 4.420 nan 0.000 0.278 335 P C -0.212 177.069 177.300 -0.031 0.000 1.238 335 P CA -0.353 62.642 63.100 -0.175 0.000 0.794 335 P CB 0.835 32.367 31.700 -0.279 0.000 0.955 336 D N 1.106 121.546 120.400 0.067 0.000 2.133 336 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 336 D C 1.804 178.148 176.300 0.073 0.000 0.997 336 D CA 1.173 55.291 54.000 0.197 0.000 0.840 336 D CB -0.396 40.629 40.800 0.375 0.000 0.947 336 D HN 0.304 nan 8.370 nan 0.000 0.452 337 L N -0.118 121.208 121.223 0.172 0.000 2.013 337 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 337 L C 2.339 179.258 176.870 0.081 0.000 1.073 337 L CA 1.332 56.306 54.840 0.223 0.000 0.753 337 L CB -0.375 41.937 42.059 0.422 0.000 0.890 337 L HN 0.020 nan 8.230 nan 0.000 0.432 338 F N 0.399 120.201 119.950 -0.247 0.000 2.095 338 F HA -0.311 4.216 4.527 -0.000 0.000 0.298 338 F C 2.492 177.945 175.800 -0.578 0.000 1.104 338 F CA 1.685 59.251 58.000 -0.724 0.000 1.232 338 F CB -0.192 38.243 39.000 -0.941 0.000 0.987 338 F HN 0.039 nan 8.300 nan 0.000 0.475 339 M N -0.054 119.059 119.600 -0.813 0.000 2.213 339 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 339 M C 2.127 178.035 176.300 -0.653 0.000 1.062 339 M CA 1.427 56.002 55.300 -1.208 0.000 1.105 339 M CB -1.153 30.045 32.600 -2.337 0.000 1.385 339 M HN 0.100 nan 8.290 nan 0.000 0.417 340 K N 0.406 120.602 120.400 -0.340 0.000 2.002 340 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 340 K C 2.138 178.691 176.600 -0.078 0.000 1.048 340 K CA 1.305 57.577 56.287 -0.026 0.000 0.930 340 K CB -0.028 32.534 32.500 0.103 0.000 0.714 340 K HN 0.077 nan 8.250 nan 0.000 0.438 341 R N 0.168 120.601 120.500 -0.112 0.000 2.091 341 R HA -0.098 4.242 4.340 -0.000 0.000 0.238 341 R C 2.318 178.502 176.300 -0.194 0.000 1.136 341 R CA 1.557 57.618 56.100 -0.064 0.000 0.959 341 R CB -1.351 29.011 30.300 0.103 0.000 0.856 341 R HN 0.378 nan 8.270 nan 0.000 0.437 342 V N 0.136 119.774 119.914 -0.460 0.000 2.913 342 V HA -0.127 3.993 4.120 -0.000 0.000 0.260 342 V C 1.951 177.844 176.094 -0.334 0.000 1.098 342 V CA 2.019 64.043 62.300 -0.461 0.000 1.121 342 V CB -0.249 31.073 31.823 -0.836 0.000 0.714 342 V HN 0.304 nan 8.190 nan 0.000 0.487 343 E N 0.326 120.380 120.200 -0.243 0.000 2.086 343 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 343 E C 1.379 177.872 176.600 -0.179 0.000 0.975 343 E CA 0.575 56.809 56.400 -0.277 0.000 0.813 343 E CB 0.051 29.683 29.700 -0.114 0.000 0.768 343 E HN 0.890 nan 8.360 nan 0.000 0.457 344 E N 0.486 120.631 120.200 -0.092 0.000 4.068 344 E HA -0.007 4.343 4.350 -0.000 0.000 0.355 344 E C 0.250 176.813 176.600 -0.062 0.000 1.511 344 E CA -0.088 56.280 56.400 -0.053 0.000 1.957 344 E CB 0.158 29.853 29.700 -0.008 0.000 1.345 344 E HN -0.017 nan 8.360 nan 0.000 0.796 345 N N -0.174 118.513 118.700 -0.020 0.000 2.757 345 N HA 0.202 4.942 4.740 -0.000 0.000 0.296 345 N C -0.933 174.598 175.510 0.036 0.000 1.874 345 N CA -0.162 52.884 53.050 -0.007 0.000 0.885 345 N CB 0.427 38.913 38.487 -0.002 0.000 1.242 345 N HN 0.477 nan 8.380 nan 0.000 0.488 346 G N -0.388 108.441 108.800 0.048 0.000 2.557 346 G HA2 0.388 4.348 3.960 -0.000 0.000 0.292 346 G HA3 0.388 4.348 3.960 -0.000 0.000 0.292 346 G C 0.127 175.126 174.900 0.165 0.000 1.237 346 G CA -0.311 44.850 45.100 0.103 0.000 0.978 346 G HN 0.360 nan 8.290 nan 0.000 0.498 347 T N -2.767 111.910 114.554 0.205 0.000 2.824 347 T HA 0.502 4.852 4.350 -0.000 0.000 0.277 347 T C -0.614 174.355 174.700 0.449 0.000 0.975 347 T CA -0.629 61.630 62.100 0.264 0.000 0.966 347 T CB 1.649 70.632 68.868 0.191 0.000 1.054 347 T HN 0.644 nan 8.240 nan 0.000 0.533 348 W N 0.287 121.718 121.300 0.218 0.000 3.425 348 W HA 0.393 5.053 4.660 -0.000 0.000 0.318 348 W C -1.743 174.925 176.519 0.249 0.000 1.201 348 W CA -0.792 56.741 57.345 0.314 0.000 1.212 348 W CB 2.279 31.967 29.460 0.379 0.000 1.355 348 W HN 0.767 nan 8.180 nan 0.000 0.515 349 T N 5.906 120.204 114.554 -0.428 0.000 2.797 349 T HA 0.522 4.872 4.350 -0.000 0.000 0.279 349 T C -0.071 174.141 174.700 -0.814 0.000 0.991 349 T CA -0.498 61.233 62.100 -0.615 0.000 0.979 349 T CB 1.427 69.815 68.868 -0.799 0.000 0.943 349 T HN 0.223 nan 8.240 nan 0.000 0.444 350 L N 3.456 124.339 121.223 -0.567 0.000 2.309 350 L HA 0.671 5.011 4.340 -0.000 0.000 0.282 350 L C -0.897 175.669 176.870 -0.506 0.000 1.036 350 L CA -0.749 53.925 54.840 -0.276 0.000 0.806 350 L CB 0.769 42.834 42.059 0.011 0.000 1.220 350 L HN 0.576 nan 8.230 nan 0.000 0.429 351 F N -0.165 119.842 119.950 0.096 0.000 2.599 351 F HA 0.348 4.875 4.527 -0.000 0.000 0.311 351 F C 0.364 176.166 175.800 0.003 0.000 1.076 351 F CA -0.729 57.259 58.000 -0.019 0.000 0.937 351 F CB 2.192 41.107 39.000 -0.142 0.000 1.282 351 F HN 0.304 nan 8.300 nan 0.000 0.460 352 S N 3.148 118.930 115.700 0.136 0.000 2.545 352 S HA 0.260 4.730 4.470 -0.000 0.000 0.275 352 S C -1.431 173.242 174.600 0.121 0.000 1.299 352 S CA -1.628 56.607 58.200 0.057 0.000 1.048 352 S CB 0.965 64.183 63.200 0.030 0.000 0.938 352 S HN 0.407 nan 8.310 nan 0.000 0.496 353 P HA -0.135 nan 4.420 nan 0.000 0.219 353 P C 1.444 178.788 177.300 0.073 0.000 1.146 353 P CA 1.488 64.717 63.100 0.215 0.000 0.808 353 P CB -0.557 31.369 31.700 0.377 0.000 0.779 354 T N -2.810 111.787 114.554 0.070 0.000 2.821 354 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 354 T C 2.007 176.684 174.700 -0.039 0.000 1.046 354 T CA 1.526 63.646 62.100 0.035 0.000 1.139 354 T CB -1.185 67.722 68.868 0.065 0.000 0.871 354 T HN 0.044 nan 8.240 nan 0.000 0.454 355 S N 1.681 117.341 115.700 -0.067 0.000 2.436 355 S HA 0.457 4.927 4.470 -0.000 0.000 0.228 355 S C 1.325 175.694 174.600 -0.385 0.000 1.014 355 S CA 0.417 58.526 58.200 -0.151 0.000 0.950 355 S CB -0.064 63.085 63.200 -0.084 0.000 0.784 355 S HN 0.809 nan 8.310 nan 0.000 0.504 356 A N 2.453 124.986 122.820 -0.479 0.000 3.258 356 A HA 0.510 4.830 4.320 -0.000 0.000 0.318 356 A C -2.909 174.327 177.584 -0.579 0.000 0.990 356 A CA -1.407 49.993 52.037 -1.061 0.000 0.885 356 A CB 0.453 18.561 19.000 -1.487 0.000 1.090 356 A HN 0.141 nan 8.150 nan 0.000 0.479 357 P HA 0.435 nan 4.420 nan 0.000 0.277 357 P C 0.907 178.245 177.300 0.063 0.000 1.240 357 P CA 1.220 64.299 63.100 -0.034 0.000 0.798 357 P CB 1.375 33.078 31.700 0.005 0.000 0.979 358 G N 0.511 109.366 108.800 0.091 0.000 2.176 358 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.253 358 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.253 358 G C 0.677 175.655 174.900 0.129 0.000 0.979 358 G CA 0.158 45.326 45.100 0.113 0.000 0.641 358 G HN 0.450 nan 8.290 nan 0.000 0.530 359 L N 2.048 123.321 121.223 0.084 0.000 2.083 359 L HA 0.036 4.376 4.340 -0.000 0.000 0.209 359 L C 2.967 180.081 176.870 0.407 0.000 1.083 359 L CA 2.982 57.899 54.840 0.129 0.000 0.752 359 L CB -0.768 41.030 42.059 -0.434 0.000 0.899 359 L HN 0.674 nan 8.230 nan 0.000 0.433 360 S N -2.540 113.417 115.700 0.428 0.000 2.561 360 S HA -0.062 4.408 4.470 -0.000 0.000 0.225 360 S C 1.334 176.104 174.600 0.282 0.000 0.977 360 S CA 0.692 59.115 58.200 0.372 0.000 0.926 360 S CB -0.146 63.287 63.200 0.389 0.000 0.769 360 S HN 0.397 nan 8.310 nan 0.000 0.533 361 D N 0.804 121.364 120.400 0.266 0.000 2.462 361 D HA 0.240 4.880 4.640 -0.000 0.000 0.221 361 D C 0.283 176.720 176.300 0.228 0.000 1.173 361 D CA -0.261 53.877 54.000 0.229 0.000 0.831 361 D CB 0.491 41.406 40.800 0.191 0.000 1.001 361 D HN 0.629 nan 8.370 nan 0.000 0.499 362 C N -1.151 118.311 119.300 0.269 0.000 3.336 362 C HA 0.955 5.415 4.460 -0.000 0.000 0.352 362 C C -0.756 174.453 174.990 0.364 0.000 1.567 362 C CA -1.165 58.013 59.018 0.266 0.000 1.328 362 C CB 0.716 28.553 27.740 0.162 0.000 1.922 362 C HN 0.235 nan 8.230 nan 0.000 0.439 363 Y N -1.526 118.865 120.300 0.152 0.000 2.744 363 Y HA 0.752 5.302 4.550 0.000 0.000 0.330 363 Y C 0.731 176.701 175.900 0.117 0.000 1.263 363 Y CA -0.117 58.034 58.100 0.085 0.000 1.065 363 Y CB 0.294 38.760 38.460 0.009 0.000 1.306 363 Y HN 1.943 nan 8.280 nan 0.000 0.459 364 G N 1.296 110.231 108.800 0.225 0.000 2.685 364 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.357 364 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.357 364 G C 0.555 175.518 174.900 0.104 0.000 1.272 364 G CA 1.441 46.616 45.100 0.126 0.000 0.972 364 G HN 0.844 nan 8.290 nan 0.000 0.550 365 D N 0.226 120.619 120.400 -0.011 0.000 2.117 365 D HA -0.041 4.599 4.640 -0.000 0.000 0.197 365 D C 2.249 178.538 176.300 -0.018 0.000 0.987 365 D CA 1.406 55.402 54.000 -0.007 0.000 0.829 365 D CB -0.420 40.352 40.800 -0.047 0.000 0.961 365 D HN 0.640 nan 8.370 nan 0.000 0.460 366 E N -0.593 119.562 120.200 -0.074 0.000 2.085 366 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 366 E C 2.034 178.636 176.600 0.004 0.000 0.994 366 E CA 0.637 56.999 56.400 -0.063 0.000 0.801 366 E CB -0.161 29.475 29.700 -0.106 0.000 0.743 366 E HN 0.257 nan 8.360 nan 0.000 0.453 367 F N 2.380 122.299 119.950 -0.052 0.000 2.075 367 F HA -0.188 4.339 4.527 0.000 0.000 0.297 367 F C 2.234 178.051 175.800 0.028 0.000 1.113 367 F CA 1.968 59.972 58.000 0.007 0.000 1.218 367 F CB -0.255 38.789 39.000 0.073 0.000 0.984 367 F HN -0.003 nan 8.300 nan 0.000 0.472 368 E N 1.025 121.266 120.200 0.068 0.000 2.130 368 E HA -0.266 4.084 4.350 -0.000 0.000 0.196 368 E C 2.322 178.859 176.600 -0.105 0.000 0.998 368 E CA 1.325 57.705 56.400 -0.033 0.000 0.806 368 E CB -1.057 28.713 29.700 0.117 0.000 0.738 368 E HN 0.542 nan 8.360 nan 0.000 0.459 369 A N 1.815 124.569 122.820 -0.109 0.000 1.873 369 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 369 A C 2.272 179.709 177.584 -0.244 0.000 1.186 369 A CA 1.267 53.222 52.037 -0.138 0.000 0.616 369 A CB -0.621 18.311 19.000 -0.114 0.000 0.823 369 A HN 0.236 nan 8.150 nan 0.000 0.442 370 L N -1.671 119.357 121.223 -0.325 0.000 2.017 370 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 370 L C 2.321 178.774 176.870 -0.695 0.000 1.073 370 L CA 2.398 56.915 54.840 -0.538 0.000 0.745 370 L CB -0.979 40.799 42.059 -0.469 0.000 0.894 370 L HN 0.510 nan 8.230 nan 0.000 0.432 371 Y N -0.291 119.566 120.300 -0.738 0.000 2.165 371 Y HA -0.298 4.252 4.550 -0.000 0.000 0.286 371 Y C 2.603 178.299 175.900 -0.340 0.000 1.155 371 Y CA 2.476 60.180 58.100 -0.661 0.000 1.164 371 Y CB -0.542 37.354 38.460 -0.940 0.000 0.978 371 Y HN 0.233 nan 8.280 nan 0.000 0.513 372 T N 0.212 114.683 114.554 -0.138 0.000 2.857 372 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 372 T C 2.042 176.665 174.700 -0.128 0.000 1.048 372 T CA 1.295 63.365 62.100 -0.051 0.000 1.139 372 T CB -0.246 68.626 68.868 0.006 0.000 0.874 372 T HN 0.371 nan 8.240 nan 0.000 0.455 373 R N -0.599 119.768 120.500 -0.221 0.000 2.075 373 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 373 R C 2.066 178.284 176.300 -0.137 0.000 1.126 373 R CA 1.466 57.444 56.100 -0.203 0.000 0.963 373 R CB -0.472 29.652 30.300 -0.293 0.000 0.858 373 R HN 0.544 nan 8.270 nan 0.000 0.435 374 Y N 0.726 120.862 120.300 -0.273 0.000 2.207 374 Y HA -0.228 4.322 4.550 -0.000 0.000 0.287 374 Y C 2.474 178.289 175.900 -0.142 0.000 1.156 374 Y CA 1.138 59.060 58.100 -0.297 0.000 1.182 374 Y CB 0.017 38.087 38.460 -0.651 0.000 0.979 374 Y HN 0.307 nan 8.280 nan 0.000 0.521 375 E N 0.617 120.813 120.200 -0.007 0.000 2.012 375 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 375 E C 2.065 178.665 176.600 -0.001 0.000 1.007 375 E CA 1.384 57.776 56.400 -0.014 0.000 0.816 375 E CB -0.142 29.524 29.700 -0.057 0.000 0.762 375 E HN 0.401 nan 8.360 nan 0.000 0.451 376 K N 0.681 121.075 120.400 -0.011 0.000 2.113 376 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 376 K C 1.733 178.332 176.600 -0.002 0.000 1.047 376 K CA 1.537 57.819 56.287 -0.007 0.000 0.928 376 K CB -0.157 32.333 32.500 -0.017 0.000 0.716 376 K HN 0.298 nan 8.250 nan 0.000 0.446 377 E N 0.261 120.466 120.200 0.007 0.000 2.359 377 E HA 0.046 4.396 4.350 -0.000 0.000 0.187 377 E C 0.424 177.031 176.600 0.012 0.000 1.081 377 E CA 0.331 56.737 56.400 0.011 0.000 0.929 377 E CB -0.091 29.619 29.700 0.018 0.000 1.086 377 E HN 0.291 nan 8.360 nan 0.000 0.462 378 G N 2.114 110.919 108.800 0.009 0.000 2.258 378 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.274 378 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.274 378 G C 0.064 174.963 174.900 -0.002 0.000 1.021 378 G CA 0.399 45.497 45.100 -0.003 0.000 0.798 378 G HN 0.348 nan 8.290 nan 0.000 0.507 379 R N -0.122 120.399 120.500 0.034 0.000 2.577 379 R HA 0.568 4.908 4.340 -0.000 0.000 0.269 379 R C 1.221 177.532 176.300 0.019 0.000 1.084 379 R CA 0.053 56.182 56.100 0.049 0.000 1.163 379 R CB 0.408 30.729 30.300 0.034 0.000 1.100 379 R HN 1.366 nan 8.270 nan 0.000 0.547 380 G N 1.071 109.849 108.800 -0.037 0.000 2.692 380 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.248 380 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.248 380 G C -0.839 173.896 174.900 -0.276 0.000 1.340 380 G CA -0.022 44.909 45.100 -0.282 0.000 0.896 380 G HN 0.617 nan 8.290 nan 0.000 0.570 381 K N -0.049 120.156 120.400 -0.326 0.000 2.358 381 K HA 0.596 4.916 4.320 -0.000 0.000 0.260 381 K C -0.133 176.369 176.600 -0.163 0.000 0.956 381 K CA -0.332 55.853 56.287 -0.171 0.000 0.834 381 K CB 0.883 33.333 32.500 -0.083 0.000 1.102 381 K HN 0.581 nan 8.250 nan 0.000 0.431 382 T N 5.595 120.096 114.554 -0.089 0.000 2.794 382 T HA 0.286 4.636 4.350 -0.000 0.000 0.296 382 T C 0.104 174.840 174.700 0.060 0.000 0.949 382 T CA -0.549 61.536 62.100 -0.024 0.000 1.101 382 T CB 0.369 69.235 68.868 -0.003 0.000 0.905 382 T HN 0.576 nan 8.240 nan 0.000 0.516 383 I N -0.267 120.390 120.570 0.146 0.000 3.343 383 I HA 0.765 4.935 4.170 -0.000 0.000 0.315 383 I C -1.183 175.095 176.117 0.269 0.000 1.153 383 I CA -1.603 59.824 61.300 0.211 0.000 0.952 383 I CB 2.141 40.310 38.000 0.281 0.000 1.287 383 I HN 0.240 nan 8.210 nan 0.000 0.472 384 K N 1.947 122.504 120.400 0.262 0.000 2.297 384 K HA 0.611 4.931 4.320 -0.000 0.000 0.286 384 K C 0.791 177.590 176.600 0.330 0.000 1.053 384 K CA 0.583 57.020 56.287 0.249 0.000 0.940 384 K CB 1.282 33.894 32.500 0.187 0.000 1.019 384 K HN 0.660 nan 8.250 nan 0.000 0.475 385 A N 3.936 126.939 122.820 0.305 0.000 1.883 385 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 385 A C 1.575 179.301 177.584 0.236 0.000 1.186 385 A CA 1.554 53.757 52.037 0.276 0.000 0.624 385 A CB -0.474 18.582 19.000 0.093 0.000 0.822 385 A HN 0.890 nan 8.150 nan 0.000 0.444 386 Q N -0.820 119.088 119.800 0.179 0.000 2.439 386 Q HA -0.130 4.210 4.340 -0.000 0.000 0.211 386 Q C 1.985 178.213 176.000 0.379 0.000 0.978 386 Q CA 1.221 57.168 55.803 0.241 0.000 0.897 386 Q CB -0.117 28.708 28.738 0.145 0.000 0.956 386 Q HN 0.725 nan 8.270 nan 0.000 0.483 387 K N 1.007 121.630 120.400 0.373 0.000 2.062 387 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 387 K C 1.959 178.910 176.600 0.584 0.000 1.051 387 K CA 0.553 57.099 56.287 0.433 0.000 0.941 387 K CB 0.016 32.745 32.500 0.381 0.000 0.719 387 K HN 0.226 nan 8.250 nan 0.000 0.440 388 L N 0.528 122.091 121.223 0.566 0.000 2.017 388 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 388 L C 2.221 179.304 176.870 0.355 0.000 1.073 388 L CA 1.354 56.370 54.840 0.294 0.000 0.745 388 L CB -0.524 41.642 42.059 0.178 0.000 0.894 388 L HN 0.557 nan 8.230 nan 0.000 0.432 389 W N -0.132 121.323 121.300 0.259 0.000 2.278 389 W HA -0.442 4.218 4.660 0.000 0.000 0.339 389 W C 2.596 179.217 176.519 0.170 0.000 1.348 389 W CA 2.315 59.786 57.345 0.209 0.000 1.289 389 W CB -0.832 28.720 29.460 0.153 0.000 1.124 389 W HN 0.263 nan 8.180 nan 0.000 0.469 390 Y N 1.469 121.925 120.300 0.259 0.000 2.097 390 Y HA -0.307 4.243 4.550 0.000 0.000 0.282 390 Y C 2.847 178.785 175.900 0.063 0.000 1.152 390 Y CA 2.918 61.109 58.100 0.153 0.000 1.136 390 Y CB -0.945 37.635 38.460 0.199 0.000 0.975 390 Y HN -0.167 nan 8.280 nan 0.000 0.498 391 S N 0.394 116.182 115.700 0.147 0.000 2.370 391 S HA -0.214 4.256 4.470 -0.000 0.000 0.226 391 S C 2.052 176.561 174.600 -0.151 0.000 1.033 391 S CA 1.685 59.925 58.200 0.067 0.000 1.011 391 S CB -0.571 62.810 63.200 0.302 0.000 0.852 391 S HN 0.474 nan 8.310 nan 0.000 0.457 392 I N 1.610 122.036 120.570 -0.240 0.000 2.099 392 I HA -0.212 3.958 4.170 -0.000 0.000 0.239 392 I C 2.026 177.899 176.117 -0.407 0.000 1.066 392 I CA 1.252 62.333 61.300 -0.365 0.000 1.324 392 I CB -0.500 37.191 38.000 -0.516 0.000 1.037 392 I HN 0.228 nan 8.210 nan 0.000 0.401 393 L N 0.082 120.981 121.223 -0.540 0.000 2.187 393 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 393 L C 2.475 179.144 176.870 -0.336 0.000 1.100 393 L CA 1.291 55.882 54.840 -0.414 0.000 0.765 393 L CB -0.705 41.111 42.059 -0.406 0.000 0.904 393 L HN 0.354 nan 8.230 nan 0.000 0.437 394 E N 0.458 120.409 120.200 -0.415 0.000 2.072 394 E HA -0.177 4.173 4.350 -0.000 0.000 0.190 394 E C 2.326 178.832 176.600 -0.157 0.000 0.982 394 E CA 0.995 57.211 56.400 -0.307 0.000 0.803 394 E CB 0.034 29.542 29.700 -0.319 0.000 0.755 394 E HN 0.457 nan 8.360 nan 0.000 0.453 395 A N 0.843 123.569 122.820 -0.157 0.000 1.902 395 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 395 A C 2.021 179.537 177.584 -0.113 0.000 1.181 395 A CA 1.411 53.371 52.037 -0.127 0.000 0.623 395 A CB -0.459 18.446 19.000 -0.160 0.000 0.818 395 A HN 0.269 nan 8.150 nan 0.000 0.443 396 Q N -1.048 118.677 119.800 -0.126 0.000 2.084 396 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 396 Q C 2.177 178.153 176.000 -0.040 0.000 0.978 396 Q CA 1.844 57.604 55.803 -0.072 0.000 0.844 396 Q CB -0.439 28.265 28.738 -0.057 0.000 0.898 396 Q HN 0.631 nan 8.270 nan 0.000 0.426 397 T N 1.439 115.959 114.554 -0.058 0.000 2.684 397 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 397 T C 1.564 176.256 174.700 -0.013 0.000 1.036 397 T CA 1.704 63.785 62.100 -0.032 0.000 1.148 397 T CB -0.142 68.697 68.868 -0.048 0.000 0.863 397 T HN 0.468 nan 8.240 nan 0.000 0.436 398 E N 0.525 120.716 120.200 -0.014 0.000 2.190 398 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 398 E C 2.143 178.741 176.600 -0.004 0.000 0.978 398 E CA 1.392 57.795 56.400 0.006 0.000 0.839 398 E CB -0.211 29.513 29.700 0.041 0.000 0.787 398 E HN 0.617 nan 8.360 nan 0.000 0.473 399 T N -3.558 110.986 114.554 -0.018 0.000 2.975 399 T HA 0.393 4.743 4.350 -0.000 0.000 0.257 399 T C 1.547 176.277 174.700 0.050 0.000 1.003 399 T CA 0.546 62.640 62.100 -0.009 0.000 0.932 399 T CB 0.922 69.753 68.868 -0.061 0.000 1.087 399 T HN 0.314 nan 8.240 nan 0.000 0.512 400 G N 1.368 110.200 108.800 0.053 0.000 2.195 400 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.246 400 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.246 400 G C 0.303 175.301 174.900 0.163 0.000 0.984 400 G CA 0.704 45.888 45.100 0.141 0.000 0.633 400 G HN 1.423 nan 8.290 nan 0.000 0.525 401 T N -1.905 112.663 114.554 0.024 0.000 2.865 401 T HA 0.796 5.146 4.350 -0.000 0.000 0.294 401 T C -3.289 171.295 174.700 -0.193 0.000 1.119 401 T CA -1.383 60.630 62.100 -0.145 0.000 1.007 401 T CB 3.621 72.314 68.868 -0.292 0.000 1.225 401 T HN 0.127 nan 8.240 nan 0.000 0.515 402 P HA 0.345 nan 4.420 nan 0.000 0.276 402 P C -0.444 176.739 177.300 -0.195 0.000 1.244 402 P CA -0.691 62.180 63.100 -0.381 0.000 0.801 402 P CB 0.489 31.989 31.700 -0.334 0.000 1.006 403 F N -0.286 119.555 119.950 -0.181 0.000 2.485 403 F HA 0.246 4.773 4.527 -0.000 0.000 0.327 403 F C 0.872 176.584 175.800 -0.147 0.000 1.203 403 F CA -0.700 57.215 58.000 -0.141 0.000 1.295 403 F CB 0.421 39.352 39.000 -0.115 0.000 1.191 403 F HN -0.049 nan 8.300 nan 0.000 0.588 404 V N 2.472 122.432 119.914 0.076 0.000 2.443 404 V HA 0.393 4.513 4.120 -0.000 0.000 0.293 404 V C -0.617 175.352 176.094 -0.210 0.000 1.021 404 V CA -0.651 61.551 62.300 -0.164 0.000 0.848 404 V CB 1.571 33.200 31.823 -0.322 0.000 0.998 404 V HN 0.475 nan 8.190 nan 0.000 0.424 405 V N 5.016 124.816 119.914 -0.190 0.000 2.531 405 V HA 0.453 4.573 4.120 -0.000 0.000 0.301 405 V C -1.034 174.801 176.094 -0.432 0.000 1.034 405 V CA -0.871 61.328 62.300 -0.168 0.000 0.865 405 V CB 1.934 33.909 31.823 0.253 0.000 0.995 405 V HN 0.752 nan 8.190 nan 0.000 0.424 406 Y N 3.799 123.988 120.300 -0.184 0.000 2.404 406 Y HA 0.185 4.735 4.550 -0.000 0.000 0.344 406 Y C 1.438 177.011 175.900 -0.545 0.000 0.995 406 Y CA -0.199 57.742 58.100 -0.266 0.000 1.201 406 Y CB 1.176 39.613 38.460 -0.038 0.000 1.151 406 Y HN 0.762 nan 8.280 nan 0.000 0.517 407 K N 0.806 120.820 120.400 -0.644 0.000 2.116 407 K HA -0.129 4.191 4.320 -0.000 0.000 0.203 407 K C 0.568 176.844 176.600 -0.541 0.000 1.052 407 K CA 1.780 57.389 56.287 -1.130 0.000 0.952 407 K CB 0.151 31.769 32.500 -1.470 0.000 0.729 407 K HN 0.532 nan 8.250 nan 0.000 0.446 408 D N 1.173 121.409 120.400 -0.272 0.000 2.183 408 D HA -0.070 4.570 4.640 -0.000 0.000 0.203 408 D C 1.951 178.149 176.300 -0.169 0.000 0.969 408 D CA 1.358 55.286 54.000 -0.120 0.000 0.842 408 D CB -0.123 40.688 40.800 0.018 0.000 0.957 408 D HN 0.423 nan 8.370 nan 0.000 0.484 409 A N 0.745 123.461 122.820 -0.174 0.000 1.858 409 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 409 A C 2.578 180.016 177.584 -0.244 0.000 1.190 409 A CA 1.351 53.248 52.037 -0.232 0.000 0.617 409 A CB -1.070 17.815 19.000 -0.192 0.000 0.827 409 A HN 0.331 nan 8.150 nan 0.000 0.443 410 C N -0.002 119.165 119.300 -0.221 0.000 2.376 410 C HA -0.158 4.302 4.460 -0.000 0.000 0.275 410 C C 2.664 177.522 174.990 -0.220 0.000 1.200 410 C CA 1.357 60.273 59.018 -0.170 0.000 1.756 410 C CB -1.548 26.112 27.740 -0.133 0.000 2.050 410 C HN 0.635 nan 8.230 nan 0.000 0.460 411 N N -0.094 118.380 118.700 -0.377 0.000 2.354 411 N HA -0.029 4.711 4.740 -0.000 0.000 0.179 411 N C 1.905 177.051 175.510 -0.608 0.000 1.021 411 N CA 0.767 53.432 53.050 -0.641 0.000 0.887 411 N CB -0.290 37.456 38.487 -1.236 0.000 0.974 411 N HN 0.605 nan 8.380 nan 0.000 0.437 412 R N 0.836 121.124 120.500 -0.354 0.000 2.119 412 R HA 0.100 4.440 4.340 -0.000 0.000 0.222 412 R C 0.762 176.978 176.300 -0.141 0.000 1.088 412 R CA 0.826 56.864 56.100 -0.104 0.000 0.984 412 R CB 0.209 30.481 30.300 -0.047 0.000 0.884 412 R HN 0.062 nan 8.270 nan 0.000 0.447 413 K N 0.092 120.376 120.400 -0.194 0.000 2.699 413 K HA 0.163 4.483 4.320 -0.000 0.000 0.210 413 K C -0.431 176.122 176.600 -0.079 0.000 1.076 413 K CA -0.119 56.067 56.287 -0.168 0.000 1.109 413 K CB 1.402 33.714 32.500 -0.314 0.000 0.862 413 K HN -0.134 nan 8.250 nan 0.000 0.470 414 S N 0.712 116.364 115.700 -0.079 0.000 2.442 414 S HA 0.123 4.593 4.470 -0.000 0.000 0.297 414 S C 0.780 175.367 174.600 -0.022 0.000 1.131 414 S CA -0.601 57.574 58.200 -0.041 0.000 1.092 414 S CB 0.971 64.139 63.200 -0.053 0.000 0.998 414 S HN 0.272 nan 8.310 nan 0.000 0.478 415 N N 3.616 122.320 118.700 0.007 0.000 2.348 415 N HA -0.090 4.650 4.740 -0.000 0.000 0.185 415 N C 1.305 176.822 175.510 0.012 0.000 1.019 415 N CA 1.443 54.509 53.050 0.027 0.000 0.880 415 N CB 0.036 38.569 38.487 0.076 0.000 0.965 415 N HN 0.704 nan 8.380 nan 0.000 0.437 416 Q N -0.414 119.374 119.800 -0.020 0.000 2.365 416 Q HA 0.008 4.348 4.340 -0.000 0.000 0.203 416 Q C 1.268 177.222 176.000 -0.077 0.000 0.929 416 Q CA 0.003 55.770 55.803 -0.060 0.000 0.948 416 Q CB 0.208 28.890 28.738 -0.093 0.000 1.043 416 Q HN 0.569 nan 8.270 nan 0.000 0.505 417 K N 0.809 121.178 120.400 -0.052 0.000 2.281 417 K HA -0.165 4.155 4.320 -0.000 0.000 0.203 417 K C 1.116 177.693 176.600 -0.039 0.000 1.046 417 K CA 1.513 57.773 56.287 -0.045 0.000 0.938 417 K CB -0.183 32.302 32.500 -0.026 0.000 0.737 417 K HN 0.204 nan 8.250 nan 0.000 0.458 418 N N 1.677 120.340 118.700 -0.062 0.000 2.494 418 N HA -0.101 4.639 4.740 -0.000 0.000 0.182 418 N C 1.655 177.079 175.510 -0.144 0.000 1.076 418 N CA 0.599 53.606 53.050 -0.071 0.000 0.908 418 N CB -0.286 38.166 38.487 -0.058 0.000 0.967 418 N HN 0.303 nan 8.380 nan 0.000 0.449 419 L N -0.604 120.460 121.223 -0.265 0.000 2.313 419 L HA 0.175 4.515 4.340 -0.000 0.000 0.214 419 L C 1.517 177.961 176.870 -0.710 0.000 1.119 419 L CA 0.773 55.281 54.840 -0.555 0.000 0.809 419 L CB -0.437 41.100 42.059 -0.870 0.000 0.933 419 L HN 0.450 nan 8.230 nan 0.000 0.449 420 G N -0.893 107.691 108.800 -0.361 0.000 2.295 420 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.155 420 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.155 420 G C -1.384 173.600 174.900 0.141 0.000 1.307 420 G CA -0.490 44.569 45.100 -0.067 0.000 1.140 420 G HN -0.266 nan 8.290 nan 0.000 0.470 421 V N 1.545 121.650 119.914 0.319 0.000 2.384 421 V HA 0.506 4.626 4.120 -0.000 0.000 0.287 421 V C 0.444 176.683 176.094 0.243 0.000 1.020 421 V CA -0.458 61.998 62.300 0.259 0.000 0.850 421 V CB 1.174 33.162 31.823 0.275 0.000 0.987 421 V HN 0.577 nan 8.190 nan 0.000 0.436 422 I N 4.994 125.665 120.570 0.167 0.000 2.533 422 I HA 0.168 4.338 4.170 -0.000 0.000 0.284 422 I C 1.070 177.228 176.117 0.068 0.000 1.109 422 I CA 0.265 61.617 61.300 0.086 0.000 1.412 422 I CB 0.619 38.693 38.000 0.124 0.000 1.396 422 I HN 0.649 nan 8.210 nan 0.000 0.543 423 K N 3.879 124.015 120.400 -0.441 0.000 2.358 423 K HA 0.153 4.473 4.320 -0.000 0.000 0.200 423 K C 0.116 175.622 176.600 -1.823 0.000 1.030 423 K CA -0.010 55.776 56.287 -0.836 0.000 1.097 423 K CB 0.430 32.295 32.500 -1.058 0.000 0.862 423 K HN 0.776 nan 8.250 nan 0.000 0.534 424 S N -1.923 112.655 115.700 -1.871 0.000 2.636 424 S HA 0.396 4.866 4.470 -0.000 0.000 0.268 424 S C -0.695 173.066 174.600 -1.399 0.000 1.159 424 S CA -0.847 56.133 58.200 -2.033 0.000 0.815 424 S CB 1.607 64.109 63.200 -1.163 0.000 1.130 424 S HN -0.051 nan 8.310 nan 0.000 0.471 425 S N 0.394 115.244 115.700 -1.418 0.000 2.702 425 S HA 0.668 5.138 4.470 -0.000 0.000 0.272 425 S C -0.181 174.123 174.600 -0.494 0.000 1.068 425 S CA -0.247 57.611 58.200 -0.570 0.000 0.964 425 S CB 0.313 63.485 63.200 -0.047 0.000 1.307 425 S HN 1.032 nan 8.310 nan 0.000 0.567 426 N N 0.104 118.759 118.700 -0.075 0.000 3.124 426 N HA 0.216 4.956 4.740 -0.000 0.000 0.350 426 N C 0.867 176.528 175.510 0.251 0.000 1.411 426 N CA -0.552 52.537 53.050 0.065 0.000 0.729 426 N CB -0.574 37.925 38.487 0.019 0.000 1.379 426 N HN 0.471 nan 8.380 nan 0.000 0.599 427 L N 0.400 121.732 121.223 0.182 0.000 2.027 427 L HA 0.152 4.492 4.340 -0.000 0.000 0.206 427 L C 0.532 177.447 176.870 0.074 0.000 1.074 427 L CA 1.200 56.164 54.840 0.206 0.000 0.745 427 L CB -0.427 41.746 42.059 0.190 0.000 0.898 427 L HN 0.631 nan 8.230 nan 0.000 0.433 428 C N -2.116 117.112 119.300 -0.120 0.000 2.478 428 C HA 0.347 4.807 4.460 -0.000 0.000 0.379 428 C C 0.964 175.610 174.990 -0.574 0.000 1.470 428 C CA -1.022 57.604 59.018 -0.653 0.000 2.066 428 C CB 0.589 28.020 27.740 -0.514 0.000 2.001 428 C HN 0.496 nan 8.230 nan 0.000 0.550 429 C N 1.518 120.346 119.300 -0.787 0.000 2.792 429 C HA 0.255 4.715 4.460 -0.000 0.000 0.306 429 C C 1.581 176.476 174.990 -0.159 0.000 1.462 429 C CA -0.243 58.595 59.018 -0.300 0.000 1.640 429 C CB -2.121 25.487 27.740 -0.220 0.000 2.434 429 C HN 1.005 nan 8.230 nan 0.000 0.538 430 E N 1.346 121.475 120.200 -0.120 0.000 2.332 430 E HA 0.050 4.400 4.350 -0.000 0.000 0.202 430 E C 0.791 177.388 176.600 -0.004 0.000 0.877 430 E CA 0.356 56.734 56.400 -0.036 0.000 0.979 430 E CB 0.089 29.787 29.700 -0.004 0.000 0.969 430 E HN 0.533 nan 8.360 nan 0.000 0.495 431 I N 1.978 122.537 120.570 -0.019 0.000 2.440 431 I HA 0.428 4.598 4.170 -0.000 0.000 0.294 431 I C -0.663 175.442 176.117 -0.021 0.000 0.995 431 I CA -0.831 60.459 61.300 -0.016 0.000 1.306 431 I CB 1.654 39.638 38.000 -0.026 0.000 1.407 431 I HN -0.076 nan 8.210 nan 0.000 0.501 432 V N 6.812 126.722 119.914 -0.006 0.000 2.439 432 V HA 0.604 4.724 4.120 -0.000 0.000 0.277 432 V C -1.005 175.085 176.094 -0.007 0.000 1.008 432 V CA -0.075 62.230 62.300 0.007 0.000 0.846 432 V CB 1.109 32.977 31.823 0.075 0.000 1.031 432 V HN 0.976 nan 8.190 nan 0.000 0.441 433 E N 4.403 124.578 120.200 -0.041 0.000 2.314 433 E HA 0.352 4.702 4.350 -0.000 0.000 0.272 433 E C -1.702 174.879 176.600 -0.032 0.000 0.884 433 E CA -0.873 55.510 56.400 -0.029 0.000 0.753 433 E CB 2.732 32.411 29.700 -0.036 0.000 1.213 433 E HN 0.768 nan 8.360 nan 0.000 0.432 434 Y N 2.271 122.498 120.300 -0.121 0.000 2.578 434 Y HA 0.160 4.710 4.550 -0.000 0.000 0.339 434 Y C -0.237 175.624 175.900 -0.066 0.000 1.231 434 Y CA 0.580 58.614 58.100 -0.109 0.000 1.461 434 Y CB 0.582 38.962 38.460 -0.133 0.000 1.323 434 Y HN 0.464 nan 8.280 nan 0.000 0.590 435 S N 3.529 118.655 115.700 -0.957 0.000 2.537 435 S HA 0.925 5.395 4.470 -0.000 0.000 0.271 435 S C -1.331 172.882 174.600 -0.645 0.000 1.148 435 S CA -0.429 57.437 58.200 -0.556 0.000 0.868 435 S CB 1.313 64.403 63.200 -0.184 0.000 1.115 435 S HN 1.334 nan 8.310 nan 0.000 0.461 436 A N 1.506 124.157 122.820 -0.282 0.000 2.593 436 A HA 0.928 5.248 4.320 -0.000 0.000 0.290 436 A C -2.664 174.910 177.584 -0.016 0.000 1.126 436 A CA -1.832 50.140 52.037 -0.109 0.000 0.695 436 A CB 0.299 19.308 19.000 0.015 0.000 1.290 436 A HN 0.518 nan 8.150 nan 0.000 0.414 437 P HA -0.220 nan 4.420 nan 0.000 0.219 437 P C 0.470 177.783 177.300 0.023 0.000 1.151 437 P CA 2.219 65.326 63.100 0.012 0.000 0.850 437 P CB 0.150 31.871 31.700 0.035 0.000 0.784 438 D N -2.740 117.687 120.400 0.045 0.000 2.469 438 D HA 0.050 4.690 4.640 -0.000 0.000 0.213 438 D C 0.122 176.458 176.300 0.060 0.000 1.135 438 D CA 0.155 54.185 54.000 0.050 0.000 0.834 438 D CB 0.239 41.074 40.800 0.058 0.000 1.009 438 D HN 0.165 nan 8.370 nan 0.000 0.507 439 E N 0.427 120.668 120.200 0.068 0.000 2.220 439 E HA 0.273 4.623 4.350 -0.000 0.000 0.256 439 E C -1.189 175.442 176.600 0.052 0.000 0.881 439 E CA -0.380 56.074 56.400 0.089 0.000 0.766 439 E CB 1.849 31.660 29.700 0.185 0.000 1.187 439 E HN -0.130 nan 8.360 nan 0.000 0.419 440 T N 2.172 116.766 114.554 0.068 0.000 2.738 440 T HA 0.375 4.725 4.350 -0.000 0.000 0.298 440 T C 0.046 174.798 174.700 0.088 0.000 0.962 440 T CA -0.473 61.673 62.100 0.077 0.000 0.972 440 T CB 0.911 69.860 68.868 0.135 0.000 0.928 440 T HN 0.488 nan 8.240 nan 0.000 0.474 441 A N 3.976 126.821 122.820 0.041 0.000 2.462 441 A HA 0.548 4.868 4.320 -0.000 0.000 0.243 441 A C 0.180 177.729 177.584 -0.057 0.000 1.076 441 A CA -0.259 51.788 52.037 0.016 0.000 0.773 441 A CB 0.156 19.145 19.000 -0.017 0.000 1.010 441 A HN 0.677 nan 8.150 nan 0.000 0.493 442 V N 0.708 120.552 119.914 -0.116 0.000 3.046 442 V HA 0.708 4.828 4.120 -0.000 0.000 0.316 442 V C -0.113 175.844 176.094 -0.229 0.000 1.104 442 V CA -0.616 61.469 62.300 -0.359 0.000 1.006 442 V CB 1.878 33.535 31.823 -0.277 0.000 1.058 442 V HN 1.166 nan 8.190 nan 0.000 0.440 443 C N 1.807 120.939 119.300 -0.279 0.000 3.090 443 C HA 0.500 4.960 4.460 -0.000 0.000 0.347 443 C C -0.835 174.095 174.990 -0.100 0.000 1.147 443 C CA -0.875 58.065 59.018 -0.130 0.000 1.305 443 C CB 1.336 29.030 27.740 -0.077 0.000 1.692 443 C HN 1.065 nan 8.230 nan 0.000 0.506 444 N N 3.261 121.939 118.700 -0.038 0.000 2.473 444 N HA 0.776 5.516 4.740 -0.000 0.000 0.291 444 N C -1.237 174.299 175.510 0.044 0.000 1.083 444 N CA -0.450 52.605 53.050 0.009 0.000 0.951 444 N CB 0.946 39.449 38.487 0.027 0.000 1.164 444 N HN 0.488 nan 8.380 nan 0.000 0.480 445 L N 1.155 122.425 121.223 0.079 0.000 2.365 445 L HA 0.892 5.232 4.340 -0.000 0.000 0.273 445 L C -0.463 176.470 176.870 0.105 0.000 1.000 445 L CA -0.971 53.917 54.840 0.080 0.000 0.819 445 L CB 1.726 43.829 42.059 0.074 0.000 1.284 445 L HN 0.579 nan 8.230 nan 0.000 0.418 446 A N 1.665 124.506 122.820 0.035 0.000 2.566 446 A HA 0.900 5.220 4.320 -0.000 0.000 0.292 446 A C -0.823 176.761 177.584 -0.001 0.000 1.112 446 A CA -0.509 51.502 52.037 -0.043 0.000 0.707 446 A CB 2.174 20.976 19.000 -0.331 0.000 1.302 446 A HN 0.685 nan 8.150 nan 0.000 0.409 447 S N -0.246 115.476 115.700 0.037 0.000 2.526 447 S HA 0.693 5.163 4.470 -0.000 0.000 0.293 447 S C -0.709 173.972 174.600 0.134 0.000 1.092 447 S CA -0.672 57.579 58.200 0.084 0.000 0.980 447 S CB 1.240 64.509 63.200 0.115 0.000 1.048 447 S HN 0.983 nan 8.310 nan 0.000 0.483 448 V N 1.934 121.922 119.914 0.124 0.000 2.546 448 V HA 0.596 4.716 4.120 -0.000 0.000 0.284 448 V C 0.766 176.993 176.094 0.221 0.000 1.050 448 V CA -0.512 61.916 62.300 0.214 0.000 0.981 448 V CB 1.044 32.950 31.823 0.138 0.000 0.990 448 V HN 1.140 nan 8.190 nan 0.000 0.474 449 A N 5.319 128.299 122.820 0.267 0.000 2.671 449 A HA 0.436 4.756 4.320 -0.000 0.000 0.306 449 A C 1.111 178.755 177.584 0.099 0.000 1.473 449 A CA -0.302 51.824 52.037 0.148 0.000 1.155 449 A CB -0.361 18.741 19.000 0.170 0.000 1.123 449 A HN 0.919 nan 8.150 nan 0.000 0.545 450 L N 2.558 123.809 121.223 0.046 0.000 2.043 450 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 450 L C -0.510 176.429 176.870 0.116 0.000 1.075 450 L CA 1.478 56.408 54.840 0.149 0.000 0.752 450 L CB -1.365 40.678 42.059 -0.026 0.000 0.891 450 L HN 0.402 nan 8.230 nan 0.000 0.432 451 P HA -0.212 nan 4.420 nan 0.000 0.218 451 P C 1.327 178.520 177.300 -0.178 0.000 1.146 451 P CA 1.726 64.684 63.100 -0.236 0.000 0.813 451 P CB -0.063 31.299 31.700 -0.564 0.000 0.778 452 A N -2.022 120.615 122.820 -0.306 0.000 2.178 452 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 452 A C 1.234 178.369 177.584 -0.747 0.000 1.157 452 A CA 1.105 52.766 52.037 -0.627 0.000 0.689 452 A CB -1.481 16.941 19.000 -0.963 0.000 0.787 452 A HN 0.192 nan 8.150 nan 0.000 0.465 453 F N -0.499 119.296 119.950 -0.258 0.000 2.653 453 F HA 0.319 4.846 4.527 0.000 0.000 0.304 453 F C 0.294 175.765 175.800 -0.548 0.000 1.092 453 F CA -0.889 56.831 58.000 -0.466 0.000 1.279 453 F CB 0.255 38.766 39.000 -0.815 0.000 1.044 453 F HN -0.040 nan 8.300 nan 0.000 0.564 454 I N 1.620 122.128 120.570 -0.103 0.000 2.648 454 I HA 0.040 4.210 4.170 -0.000 0.000 0.284 454 I C 0.181 176.291 176.117 -0.011 0.000 1.153 454 I CA 0.044 61.367 61.300 0.038 0.000 1.426 454 I CB 0.107 38.148 38.000 0.068 0.000 1.381 454 I HN 0.225 nan 8.210 nan 0.000 0.571 455 E N 3.430 123.652 120.200 0.036 0.000 2.248 455 E HA 0.406 4.756 4.350 -0.000 0.000 0.267 455 E C -0.929 175.709 176.600 0.063 0.000 0.877 455 E CA -0.593 55.825 56.400 0.030 0.000 0.759 455 E CB 1.810 31.520 29.700 0.016 0.000 1.182 455 E HN 0.516 nan 8.360 nan 0.000 0.418 456 T N 1.529 116.111 114.554 0.047 0.000 2.799 456 T HA 0.238 4.588 4.350 -0.000 0.000 0.286 456 T C 0.259 174.986 174.700 0.046 0.000 0.973 456 T CA -0.828 61.304 62.100 0.054 0.000 1.035 456 T CB 1.137 70.031 68.868 0.044 0.000 0.932 456 T HN 0.512 nan 8.240 nan 0.000 0.469 457 S N 2.096 117.827 115.700 0.052 0.000 2.576 457 S HA 0.101 4.571 4.470 -0.000 0.000 0.272 457 S C 0.145 174.767 174.600 0.036 0.000 1.352 457 S CA -0.614 57.612 58.200 0.044 0.000 1.021 457 S CB 0.364 63.593 63.200 0.048 0.000 0.887 457 S HN 0.647 nan 8.310 nan 0.000 0.542 458 E N 1.494 121.713 120.200 0.031 0.000 2.166 458 E HA 0.263 4.613 4.350 -0.000 0.000 0.279 458 E C 0.134 176.751 176.600 0.028 0.000 1.095 458 E CA 0.753 57.169 56.400 0.027 0.000 0.888 458 E CB -0.107 29.607 29.700 0.022 0.000 1.041 458 E HN 0.820 nan 8.360 nan 0.000 0.414 459 D N 2.538 122.955 120.400 0.028 0.000 4.094 459 D HA -0.111 4.529 4.640 -0.000 0.000 0.115 459 D C 0.907 177.226 176.300 0.032 0.000 0.478 459 D CA 1.078 55.095 54.000 0.028 0.000 0.651 459 D CB -1.596 39.221 40.800 0.028 0.000 1.559 459 D HN 0.809 nan 8.370 nan 0.000 0.251 460 G N 1.321 110.142 108.800 0.036 0.000 2.143 460 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.249 460 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.249 460 G C 0.689 175.616 174.900 0.045 0.000 0.981 460 G CA 1.126 46.250 45.100 0.041 0.000 0.665 460 G HN 0.965 nan 8.290 nan 0.000 0.528 461 K N -0.736 119.691 120.400 0.044 0.000 2.402 461 K HA 0.337 4.657 4.320 -0.000 0.000 0.204 461 K C 0.503 177.133 176.600 0.050 0.000 1.056 461 K CA 0.638 56.952 56.287 0.045 0.000 1.069 461 K CB 0.908 33.431 32.500 0.038 0.000 0.888 461 K HN 0.612 nan 8.250 nan 0.000 0.546 462 T N 0.639 115.225 114.554 0.054 0.000 2.916 462 T HA 0.369 4.719 4.350 -0.000 0.000 0.298 462 T C -0.877 173.871 174.700 0.081 0.000 1.031 462 T CA -0.470 61.668 62.100 0.063 0.000 0.993 462 T CB 1.850 70.746 68.868 0.048 0.000 1.045 462 T HN 0.275 nan 8.240 nan 0.000 0.454 463 S N 3.003 118.772 115.700 0.115 0.000 2.664 463 S HA 0.877 5.347 4.470 -0.000 0.000 0.304 463 S C -0.312 174.410 174.600 0.203 0.000 1.099 463 S CA -0.639 57.658 58.200 0.162 0.000 1.003 463 S CB 1.965 65.285 63.200 0.200 0.000 1.092 463 S HN 0.907 nan 8.310 nan 0.000 0.525 464 T N 0.247 114.947 114.554 0.242 0.000 2.868 464 T HA 0.508 4.858 4.350 -0.000 0.000 0.306 464 T C -2.386 172.526 174.700 0.353 0.000 1.224 464 T CA -0.429 61.822 62.100 0.251 0.000 1.012 464 T CB 1.252 70.192 68.868 0.120 0.000 1.221 464 T HN 0.652 nan 8.240 nan 0.000 0.499 465 Y N 3.290 123.740 120.300 0.249 0.000 2.345 465 Y HA 0.488 5.038 4.550 -0.000 0.000 0.331 465 Y C 0.171 175.967 175.900 -0.173 0.000 0.959 465 Y CA -1.024 57.074 58.100 -0.003 0.000 1.204 465 Y CB 0.962 39.336 38.460 -0.145 0.000 1.135 465 Y HN 0.521 nan 8.280 nan 0.000 0.477 466 N N 5.842 124.275 118.700 -0.445 0.000 2.671 466 N HA 0.012 4.752 4.740 -0.000 0.000 0.274 466 N C 0.195 175.538 175.510 -0.277 0.000 1.188 466 N CA 0.383 53.297 53.050 -0.226 0.000 1.065 466 N CB -0.369 38.071 38.487 -0.079 0.000 1.415 466 N HN 0.667 nan 8.380 nan 0.000 0.511 467 F N 1.141 121.105 119.950 0.023 0.000 2.451 467 F HA -0.033 4.494 4.527 0.000 0.000 0.299 467 F C 2.015 177.948 175.800 0.222 0.000 1.101 467 F CA 0.729 58.807 58.000 0.129 0.000 1.436 467 F CB 0.234 39.383 39.000 0.247 0.000 1.074 467 F HN 0.329 nan 8.300 nan 0.000 0.553 468 K N 0.060 120.635 120.400 0.292 0.000 2.021 468 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 468 K C 2.174 178.887 176.600 0.188 0.000 1.047 468 K CA 0.604 57.058 56.287 0.280 0.000 0.943 468 K CB -0.179 32.401 32.500 0.134 0.000 0.725 468 K HN -0.044 nan 8.250 nan 0.000 0.439 469 K N 1.382 121.859 120.400 0.128 0.000 2.089 469 K HA -0.183 4.137 4.320 -0.000 0.000 0.210 469 K C 2.178 178.859 176.600 0.134 0.000 1.048 469 K CA 1.130 57.523 56.287 0.177 0.000 0.926 469 K CB -0.449 32.235 32.500 0.306 0.000 0.714 469 K HN 0.073 nan 8.250 nan 0.000 0.448 470 L N 0.378 121.467 121.223 -0.224 0.000 2.017 470 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 470 L C 2.327 179.028 176.870 -0.282 0.000 1.073 470 L CA 2.110 56.481 54.840 -0.782 0.000 0.745 470 L CB -0.928 40.535 42.059 -0.994 0.000 0.894 470 L HN 0.281 nan 8.230 nan 0.000 0.432 471 H N -0.786 118.167 119.070 -0.195 0.000 2.319 471 H HA -0.227 4.329 4.556 -0.000 0.000 0.297 471 H C 2.160 177.370 175.328 -0.196 0.000 1.097 471 H CA 2.168 58.051 56.048 -0.274 0.000 1.285 471 H CB 0.084 29.625 29.762 -0.368 0.000 1.368 471 H HN 0.499 nan 8.280 nan 0.000 0.495 472 E N 0.509 120.730 120.200 0.034 0.000 2.005 472 E HA -0.147 4.203 4.350 -0.000 0.000 0.198 472 E C 2.285 178.842 176.600 -0.072 0.000 1.010 472 E CA 1.620 58.019 56.400 -0.001 0.000 0.825 472 E CB -0.516 29.207 29.700 0.040 0.000 0.769 472 E HN 0.483 nan 8.360 nan 0.000 0.456 473 I N 1.089 121.649 120.570 -0.017 0.000 2.229 473 I HA -0.326 3.844 4.170 -0.000 0.000 0.250 473 I C 2.350 178.367 176.117 -0.167 0.000 1.096 473 I CA 1.682 62.974 61.300 -0.014 0.000 1.358 473 I CB -1.833 36.317 38.000 0.249 0.000 1.047 473 I HN 0.207 nan 8.210 nan 0.000 0.422 474 A N 0.697 123.393 122.820 -0.207 0.000 1.930 474 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 474 A C 2.341 179.761 177.584 -0.273 0.000 1.175 474 A CA 1.257 53.136 52.037 -0.265 0.000 0.627 474 A CB -0.388 18.435 19.000 -0.296 0.000 0.815 474 A HN 0.374 nan 8.150 nan 0.000 0.443 475 K N -0.245 119.986 120.400 -0.280 0.000 2.057 475 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 475 K C 1.953 178.454 176.600 -0.164 0.000 1.049 475 K CA 1.382 57.533 56.287 -0.227 0.000 0.931 475 K CB -0.560 31.817 32.500 -0.206 0.000 0.714 475 K HN 0.338 nan 8.250 nan 0.000 0.440 476 V N 1.509 121.327 119.914 -0.160 0.000 2.255 476 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 476 V C 2.462 178.444 176.094 -0.187 0.000 1.051 476 V CA 1.664 63.885 62.300 -0.131 0.000 1.018 476 V CB -0.444 31.319 31.823 -0.099 0.000 0.641 476 V HN 0.048 nan 8.190 nan 0.000 0.445 477 V N -0.230 119.455 119.914 -0.382 0.000 2.407 477 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 477 V C 2.549 178.536 176.094 -0.178 0.000 1.055 477 V CA 2.515 64.556 62.300 -0.430 0.000 1.049 477 V CB -1.073 30.363 31.823 -0.646 0.000 0.662 477 V HN 0.636 nan 8.190 nan 0.000 0.455 478 T N -0.310 114.151 114.554 -0.155 0.000 2.759 478 T HA -0.207 4.143 4.350 -0.000 0.000 0.269 478 T C 2.057 176.733 174.700 -0.039 0.000 1.042 478 T CA 1.518 63.565 62.100 -0.088 0.000 1.140 478 T CB -0.228 68.575 68.868 -0.108 0.000 0.864 478 T HN 0.464 nan 8.240 nan 0.000 0.455 479 R N 0.850 121.333 120.500 -0.029 0.000 2.073 479 R HA 0.006 4.346 4.340 -0.000 0.000 0.229 479 R C 2.399 178.743 176.300 0.073 0.000 1.120 479 R CA 1.174 57.289 56.100 0.025 0.000 0.967 479 R CB -0.289 30.032 30.300 0.035 0.000 0.862 479 R HN 0.327 nan 8.270 nan 0.000 0.436 480 N N 1.099 119.863 118.700 0.106 0.000 2.043 480 N HA -0.148 4.592 4.740 -0.000 0.000 0.193 480 N C 1.856 177.396 175.510 0.049 0.000 1.037 480 N CA 1.221 54.331 53.050 0.099 0.000 0.851 480 N CB -0.381 38.260 38.487 0.257 0.000 1.027 480 N HN 0.144 nan 8.380 nan 0.000 0.422 481 L N 0.331 121.609 121.223 0.093 0.000 2.083 481 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 481 L C 1.940 178.828 176.870 0.030 0.000 1.083 481 L CA 0.972 55.857 54.840 0.075 0.000 0.752 481 L CB -0.457 41.641 42.059 0.065 0.000 0.899 481 L HN 0.222 nan 8.230 nan 0.000 0.433 482 N N 0.208 118.921 118.700 0.023 0.000 2.309 482 N HA -0.162 4.578 4.740 -0.000 0.000 0.182 482 N C 1.960 177.483 175.510 0.020 0.000 1.018 482 N CA 1.089 54.152 53.050 0.021 0.000 0.876 482 N CB 0.095 38.593 38.487 0.018 0.000 0.972 482 N HN 0.123 nan 8.380 nan 0.000 0.434 483 R N -0.611 119.891 120.500 0.004 0.000 2.119 483 R HA 0.069 4.409 4.340 -0.000 0.000 0.222 483 R C 1.864 178.149 176.300 -0.025 0.000 1.088 483 R CA 0.594 56.687 56.100 -0.013 0.000 0.984 483 R CB -0.118 30.149 30.300 -0.055 0.000 0.884 483 R HN 0.108 nan 8.270 nan 0.000 0.447 484 V N 1.719 121.604 119.914 -0.047 0.000 2.332 484 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 484 V C 2.245 178.344 176.094 0.008 0.000 1.055 484 V CA 1.786 64.059 62.300 -0.046 0.000 1.038 484 V CB -0.386 31.398 31.823 -0.065 0.000 0.651 484 V HN 0.301 nan 8.190 nan 0.000 0.450 485 I N 0.119 120.715 120.570 0.044 0.000 2.185 485 I HA -0.328 3.842 4.170 -0.000 0.000 0.246 485 I C 2.223 178.444 176.117 0.173 0.000 1.088 485 I CA 1.963 63.337 61.300 0.124 0.000 1.347 485 I CB -0.501 37.560 38.000 0.102 0.000 1.041 485 I HN 0.369 nan 8.210 nan 0.000 0.415 486 D N 0.232 120.694 120.400 0.103 0.000 2.194 486 D HA -0.055 4.585 4.640 -0.000 0.000 0.204 486 D C 2.184 178.549 176.300 0.109 0.000 0.964 486 D CA 0.922 54.984 54.000 0.104 0.000 0.846 486 D CB -0.055 40.783 40.800 0.064 0.000 0.962 486 D HN 0.340 nan 8.370 nan 0.000 0.490 487 R N 0.337 120.880 120.500 0.071 0.000 2.300 487 R HA 0.077 4.417 4.340 -0.000 0.000 0.199 487 R C 0.542 176.883 176.300 0.068 0.000 0.920 487 R CA -0.308 55.830 56.100 0.064 0.000 1.046 487 R CB 0.076 30.390 30.300 0.022 0.000 0.984 487 R HN -0.011 nan 8.270 nan 0.000 0.493 488 N N 0.441 119.161 118.700 0.033 0.000 2.508 488 N HA -0.114 4.626 4.740 -0.000 0.000 0.264 488 N C -1.281 174.191 175.510 -0.064 0.000 1.216 488 N CA 0.080 53.061 53.050 -0.116 0.000 0.943 488 N CB 0.402 38.629 38.487 -0.434 0.000 1.113 488 N HN -0.012 nan 8.380 nan 0.000 0.447 489 Y N 3.510 123.717 120.300 -0.156 0.000 2.700 489 Y HA 0.288 4.838 4.550 0.000 0.000 0.333 489 Y C -0.909 174.957 175.900 -0.058 0.000 1.036 489 Y CA -0.650 57.432 58.100 -0.030 0.000 1.287 489 Y CB -0.287 38.182 38.460 0.014 0.000 1.132 489 Y HN 0.482 nan 8.280 nan 0.000 0.510 490 Y N 7.437 127.618 120.300 -0.198 0.000 2.569 490 Y HA 0.097 4.647 4.550 0.000 0.000 0.332 490 Y C -1.062 174.767 175.900 -0.119 0.000 1.120 490 Y CA -1.579 56.486 58.100 -0.059 0.000 1.416 490 Y CB 0.386 38.819 38.460 -0.045 0.000 1.210 490 Y HN 0.557 nan 8.280 nan 0.000 0.528 491 P HA -0.082 nan 4.420 nan 0.000 0.225 491 P C -0.177 177.151 177.300 0.046 0.000 1.156 491 P CA 1.019 64.163 63.100 0.074 0.000 0.787 491 P CB 0.357 32.048 31.700 -0.014 0.000 0.802 492 V N -3.361 116.599 119.914 0.076 0.000 3.007 492 V HA 0.345 4.465 4.120 -0.000 0.000 0.311 492 V C 1.442 177.572 176.094 0.060 0.000 1.120 492 V CA -0.851 61.480 62.300 0.052 0.000 0.980 492 V CB 2.021 33.863 31.823 0.031 0.000 1.033 492 V HN -0.000 nan 8.190 nan 0.000 0.429 493 E N 0.831 121.044 120.200 0.022 0.000 2.204 493 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 493 E C 1.189 177.784 176.600 -0.008 0.000 0.990 493 E CA 1.879 58.274 56.400 -0.007 0.000 0.821 493 E CB 0.036 29.728 29.700 -0.012 0.000 0.750 493 E HN 0.877 nan 8.360 nan 0.000 0.477 494 E N 1.419 121.634 120.200 0.026 0.000 2.150 494 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 494 E C 1.996 178.628 176.600 0.053 0.000 0.985 494 E CA 1.419 57.841 56.400 0.037 0.000 0.814 494 E CB -0.230 29.498 29.700 0.047 0.000 0.752 494 E HN 0.473 nan 8.360 nan 0.000 0.466 495 A N 1.291 124.178 122.820 0.111 0.000 1.855 495 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 495 A C 2.177 179.726 177.584 -0.059 0.000 1.191 495 A CA 1.740 53.892 52.037 0.192 0.000 0.613 495 A CB -0.528 18.775 19.000 0.505 0.000 0.829 495 A HN 0.183 nan 8.150 nan 0.000 0.442 496 R N 0.171 120.486 120.500 -0.307 0.000 2.091 496 R HA -0.211 4.129 4.340 -0.000 0.000 0.238 496 R C 2.226 178.288 176.300 -0.398 0.000 1.136 496 R CA 2.129 57.755 56.100 -0.790 0.000 0.959 496 R CB -0.347 29.571 30.300 -0.637 0.000 0.856 496 R HN 0.528 nan 8.270 nan 0.000 0.437 497 K N 0.090 120.372 120.400 -0.196 0.000 2.063 497 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 497 K C 2.172 178.703 176.600 -0.114 0.000 1.048 497 K CA 1.944 58.157 56.287 -0.122 0.000 0.928 497 K CB -0.247 32.223 32.500 -0.050 0.000 0.713 497 K HN 0.227 nan 8.250 nan 0.000 0.442 498 S N 0.212 115.877 115.700 -0.058 0.000 2.357 498 S HA -0.113 4.357 4.470 -0.000 0.000 0.221 498 S C 1.863 176.443 174.600 -0.032 0.000 1.031 498 S CA 1.355 59.572 58.200 0.028 0.000 0.982 498 S CB -0.418 62.860 63.200 0.130 0.000 0.853 498 S HN 0.405 nan 8.310 nan 0.000 0.458 499 N N 0.748 119.407 118.700 -0.068 0.000 2.188 499 N HA 0.056 4.796 4.740 -0.000 0.000 0.184 499 N C 1.685 177.148 175.510 -0.078 0.000 1.018 499 N CA 1.315 54.345 53.050 -0.033 0.000 0.858 499 N CB -0.305 38.206 38.487 0.040 0.000 0.989 499 N HN 0.382 nan 8.380 nan 0.000 0.426 500 M N -0.034 119.473 119.600 -0.155 0.000 2.319 500 M HA 0.029 4.509 4.480 -0.000 0.000 0.265 500 M C 1.697 177.925 176.300 -0.120 0.000 1.068 500 M CA 0.926 56.157 55.300 -0.116 0.000 1.118 500 M CB -0.669 31.852 32.600 -0.131 0.000 1.395 500 M HN 0.150 nan 8.290 nan 0.000 0.435 501 R N -0.774 119.576 120.500 -0.250 0.000 2.093 501 R HA -0.057 4.283 4.340 -0.000 0.000 0.224 501 R C 1.562 177.666 176.300 -0.327 0.000 1.101 501 R CA 0.948 56.808 56.100 -0.401 0.000 0.979 501 R CB 0.035 29.886 30.300 -0.749 0.000 0.877 501 R HN 0.519 nan 8.270 nan 0.000 0.441 502 H N -0.856 118.252 119.070 0.063 0.000 3.255 502 H HA 0.281 4.837 4.556 -0.000 0.000 0.256 502 H C -0.005 175.203 175.328 -0.200 0.000 1.049 502 H CA -0.191 55.834 56.048 -0.040 0.000 1.202 502 H CB 0.598 30.332 29.762 -0.047 0.000 1.497 502 H HN -0.004 nan 8.280 nan 0.000 0.503 503 R N 0.657 121.160 120.500 0.005 0.000 3.225 503 R HA -0.126 4.214 4.340 -0.000 0.000 0.245 503 R C -2.639 173.625 176.300 -0.061 0.000 0.928 503 R CA -0.016 56.075 56.100 -0.016 0.000 0.632 503 R CB -1.743 28.563 30.300 0.010 0.000 1.038 503 R HN 0.334 nan 8.270 nan 0.000 0.461 504 P HA 0.386 nan 4.420 nan 0.000 0.276 504 P C 0.045 177.334 177.300 -0.020 0.000 1.252 504 P CA -0.292 62.780 63.100 -0.047 0.000 0.802 504 P CB 0.930 32.613 31.700 -0.028 0.000 1.035 505 I N -0.607 119.956 120.570 -0.011 0.000 2.918 505 I HA 0.579 4.749 4.170 -0.000 0.000 0.301 505 I C -1.427 174.698 176.117 0.014 0.000 1.312 505 I CA -0.918 60.384 61.300 0.003 0.000 1.007 505 I CB 2.058 40.062 38.000 0.006 0.000 1.281 505 I HN 0.298 nan 8.210 nan 0.000 0.440 506 A N 6.876 129.708 122.820 0.019 0.000 2.363 506 A HA 0.736 5.056 4.320 -0.000 0.000 0.296 506 A C -1.361 176.243 177.584 0.033 0.000 1.237 506 A CA -0.320 51.735 52.037 0.030 0.000 0.773 506 A CB 0.554 19.571 19.000 0.029 0.000 1.153 506 A HN 0.533 nan 8.150 nan 0.000 0.473 507 L N 2.253 123.496 121.223 0.034 0.000 2.312 507 L HA 0.722 5.062 4.340 -0.000 0.000 0.281 507 L C 0.953 177.862 176.870 0.065 0.000 1.070 507 L CA 0.278 55.132 54.840 0.023 0.000 0.805 507 L CB 1.777 43.834 42.059 -0.003 0.000 1.174 507 L HN 0.786 nan 8.230 nan 0.000 0.434 508 G N 1.258 110.103 108.800 0.075 0.000 2.949 508 G HA2 0.721 4.681 3.960 -0.000 0.000 0.285 508 G HA3 0.721 4.681 3.960 -0.000 0.000 0.285 508 G C -1.285 173.685 174.900 0.118 0.000 1.395 508 G CA -0.364 44.819 45.100 0.138 0.000 0.901 508 G HN 0.560 nan 8.290 nan 0.000 0.519 509 V N -2.121 117.903 119.914 0.183 0.000 3.113 509 V HA 0.956 5.076 4.120 -0.000 0.000 0.316 509 V C -0.725 175.473 176.094 0.172 0.000 1.125 509 V CA -0.714 61.660 62.300 0.122 0.000 1.026 509 V CB 1.415 33.260 31.823 0.037 0.000 1.080 509 V HN 1.222 nan 8.190 nan 0.000 0.444 510 Q N 0.720 120.590 119.800 0.117 0.000 2.462 510 Q HA 0.683 5.023 4.340 -0.000 0.000 0.285 510 Q C 0.259 176.270 176.000 0.018 0.000 1.035 510 Q CA -0.510 55.359 55.803 0.111 0.000 0.799 510 Q CB 1.569 30.395 28.738 0.146 0.000 1.452 510 Q HN 2.429 nan 8.270 nan 0.000 0.404 511 G N 0.743 109.547 108.800 0.008 0.000 2.143 511 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.248 511 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.248 511 G C 0.437 175.211 174.900 -0.209 0.000 0.991 511 G CA 0.384 45.409 45.100 -0.125 0.000 0.689 511 G HN 0.634 nan 8.290 nan 0.000 0.522 512 L N -0.383 120.735 121.223 -0.175 0.000 2.034 512 L HA -0.200 4.140 4.340 -0.000 0.000 0.217 512 L C 3.141 179.656 176.870 -0.592 0.000 1.077 512 L CA 3.038 57.635 54.840 -0.405 0.000 0.769 512 L CB -0.757 41.159 42.059 -0.239 0.000 0.890 512 L HN 0.583 nan 8.230 nan 0.000 0.435 513 A N -0.186 122.509 122.820 -0.208 0.000 1.877 513 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 513 A C 1.678 179.220 177.584 -0.071 0.000 1.186 513 A CA 2.108 54.135 52.037 -0.017 0.000 0.620 513 A CB -0.729 18.341 19.000 0.117 0.000 0.822 513 A HN 0.561 nan 8.150 nan 0.000 0.443 514 D N -0.868 119.474 120.400 -0.097 0.000 2.218 514 D HA -0.093 4.547 4.640 -0.000 0.000 0.204 514 D C 2.045 178.155 176.300 -0.316 0.000 0.976 514 D CA 1.716 55.607 54.000 -0.181 0.000 0.853 514 D CB -0.349 40.449 40.800 -0.003 0.000 0.939 514 D HN 0.615 nan 8.370 nan 0.000 0.481 515 T N -1.687 112.684 114.554 -0.305 0.000 2.978 515 T HA -0.067 4.283 4.350 -0.000 0.000 0.262 515 T C 1.647 176.248 174.700 -0.165 0.000 1.063 515 T CA 0.248 62.187 62.100 -0.269 0.000 1.140 515 T CB -0.328 68.370 68.868 -0.284 0.000 0.886 515 T HN -0.083 nan 8.240 nan 0.000 0.470 516 F N 1.489 121.288 119.950 -0.251 0.000 2.186 516 F HA 0.291 4.818 4.527 -0.000 0.000 0.299 516 F C 2.396 178.057 175.800 -0.231 0.000 1.090 516 F CA 0.295 58.143 58.000 -0.253 0.000 1.307 516 F CB -0.871 38.008 39.000 -0.202 0.000 1.019 516 F HN 0.224 nan 8.300 nan 0.000 0.489 517 M N -1.147 118.422 119.600 -0.052 0.000 2.098 517 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 517 M C 2.152 178.325 176.300 -0.211 0.000 1.072 517 M CA 1.084 56.283 55.300 -0.168 0.000 1.133 517 M CB -0.604 31.861 32.600 -0.225 0.000 1.344 517 M HN 0.007 nan 8.290 nan 0.000 0.414 518 L N 0.267 121.307 121.223 -0.305 0.000 2.043 518 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 518 L C 1.924 178.746 176.870 -0.080 0.000 1.075 518 L CA 1.749 56.476 54.840 -0.189 0.000 0.752 518 L CB -1.082 40.870 42.059 -0.178 0.000 0.891 518 L HN 0.283 nan 8.230 nan 0.000 0.432 519 L N 0.006 121.172 121.223 -0.096 0.000 2.627 519 L HA 0.100 4.440 4.340 -0.000 0.000 0.232 519 L C 0.575 177.412 176.870 -0.054 0.000 1.150 519 L CA 0.220 55.013 54.840 -0.079 0.000 0.917 519 L CB -0.719 41.181 42.059 -0.265 0.000 1.104 519 L HN 0.266 nan 8.230 nan 0.000 0.445 520 R N -0.535 119.924 120.500 -0.068 0.000 3.405 520 R HA -0.198 4.142 4.340 -0.000 0.000 0.258 520 R C -0.550 175.688 176.300 -0.103 0.000 1.030 520 R CA 0.537 56.588 56.100 -0.081 0.000 0.691 520 R CB -2.840 27.441 30.300 -0.032 0.000 1.093 520 R HN 0.298 nan 8.270 nan 0.000 0.448 521 L N 0.770 121.907 121.223 -0.142 0.000 2.296 521 L HA 0.445 4.785 4.340 -0.000 0.000 0.286 521 L C -1.934 174.800 176.870 -0.226 0.000 1.023 521 L CA -2.309 52.400 54.840 -0.217 0.000 0.812 521 L CB 1.647 43.487 42.059 -0.366 0.000 1.223 521 L HN -0.263 nan 8.230 nan 0.000 0.421 522 P HA -0.002 nan 4.420 nan 0.000 0.268 522 P C 0.442 177.637 177.300 -0.175 0.000 1.204 522 P CA -0.123 62.904 63.100 -0.122 0.000 0.768 522 P CB 0.487 32.134 31.700 -0.088 0.000 0.842 523 F N 3.396 123.255 119.950 -0.152 0.000 2.120 523 F HA -0.252 4.275 4.527 -0.000 0.000 0.300 523 F C 1.429 177.117 175.800 -0.186 0.000 1.095 523 F CA 2.195 60.126 58.000 -0.116 0.000 1.249 523 F CB -0.160 38.899 39.000 0.098 0.000 0.995 523 F HN 0.323 nan 8.300 nan 0.000 0.480 524 D N -0.602 119.874 120.400 0.127 0.000 2.336 524 D HA 0.070 4.710 4.640 -0.000 0.000 0.228 524 D C 0.519 176.789 176.300 -0.049 0.000 1.120 524 D CA 0.358 54.402 54.000 0.073 0.000 0.839 524 D CB -1.119 39.746 40.800 0.108 0.000 0.932 524 D HN 0.216 nan 8.370 nan 0.000 0.509 525 S N -0.648 114.958 115.700 -0.156 0.000 2.603 525 S HA 0.150 4.620 4.470 -0.000 0.000 0.268 525 S C 1.174 175.678 174.600 -0.160 0.000 1.317 525 S CA -0.606 57.503 58.200 -0.153 0.000 1.012 525 S CB 2.190 65.278 63.200 -0.185 0.000 0.926 525 S HN -0.032 nan 8.310 nan 0.000 0.539 526 E N 1.227 121.368 120.200 -0.098 0.000 2.118 526 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 526 E C 1.514 178.059 176.600 -0.091 0.000 0.992 526 E CA 1.932 58.288 56.400 -0.073 0.000 0.804 526 E CB -0.428 29.251 29.700 -0.035 0.000 0.741 526 E HN 0.816 nan 8.360 nan 0.000 0.458 527 E N 0.073 120.211 120.200 -0.102 0.000 2.077 527 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 527 E C 1.975 178.453 176.600 -0.204 0.000 0.989 527 E CA 1.436 57.788 56.400 -0.079 0.000 0.800 527 E CB -0.501 29.184 29.700 -0.025 0.000 0.746 527 E HN 0.384 nan 8.360 nan 0.000 0.452 528 A N 0.972 123.537 122.820 -0.426 0.000 1.930 528 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 528 A C 2.129 179.465 177.584 -0.413 0.000 1.175 528 A CA 1.400 52.962 52.037 -0.792 0.000 0.627 528 A CB -0.413 17.693 19.000 -1.490 0.000 0.815 528 A HN 0.090 nan 8.150 nan 0.000 0.443 529 R N -0.485 119.856 120.500 -0.265 0.000 2.105 529 R HA -0.118 4.222 4.340 -0.000 0.000 0.239 529 R C 1.981 178.226 176.300 -0.092 0.000 1.135 529 R CA 1.662 57.683 56.100 -0.132 0.000 0.967 529 R CB -0.252 29.999 30.300 -0.081 0.000 0.861 529 R HN 0.551 nan 8.270 nan 0.000 0.442 530 L N 0.573 121.736 121.223 -0.101 0.000 2.168 530 L HA -0.075 4.265 4.340 -0.000 0.000 0.203 530 L C 2.139 178.946 176.870 -0.105 0.000 1.078 530 L CA 0.874 55.646 54.840 -0.113 0.000 0.780 530 L CB -0.585 41.433 42.059 -0.068 0.000 0.939 530 L HN 0.244 nan 8.230 nan 0.000 0.451 531 L N 1.427 122.633 121.223 -0.028 0.000 2.043 531 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 531 L C 2.166 179.080 176.870 0.073 0.000 1.075 531 L CA 2.284 57.152 54.840 0.046 0.000 0.752 531 L CB -0.951 41.102 42.059 -0.010 0.000 0.891 531 L HN 0.401 nan 8.230 nan 0.000 0.432 532 N N -0.184 118.580 118.700 0.106 0.000 2.043 532 N HA -0.240 4.500 4.740 -0.000 0.000 0.193 532 N C 1.852 177.485 175.510 0.206 0.000 1.037 532 N CA 2.336 55.503 53.050 0.194 0.000 0.851 532 N CB -0.340 38.245 38.487 0.163 0.000 1.027 532 N HN 0.498 nan 8.380 nan 0.000 0.422 533 I N 0.146 120.754 120.570 0.063 0.000 2.264 533 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 533 I C 2.247 178.354 176.117 -0.017 0.000 1.111 533 I CA 1.278 62.607 61.300 0.048 0.000 1.382 533 I CB -0.322 37.608 38.000 -0.116 0.000 1.060 533 I HN 0.389 nan 8.210 nan 0.000 0.418 534 Q N 0.380 120.111 119.800 -0.116 0.000 2.049 534 Q HA -0.115 4.225 4.340 -0.000 0.000 0.198 534 Q C 2.402 178.488 176.000 0.143 0.000 0.971 534 Q CA 1.258 56.977 55.803 -0.138 0.000 0.833 534 Q CB 0.037 28.618 28.738 -0.261 0.000 0.896 534 Q HN 0.501 nan 8.270 nan 0.000 0.434 535 I N 0.085 120.800 120.570 0.243 0.000 2.127 535 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 535 I C 1.887 177.948 176.117 -0.093 0.000 1.075 535 I CA 1.480 62.846 61.300 0.110 0.000 1.334 535 I CB -0.252 37.654 38.000 -0.157 0.000 1.040 535 I HN 0.158 nan 8.210 nan 0.000 0.405 536 F N 0.750 120.722 119.950 0.036 0.000 2.146 536 F HA -0.196 4.331 4.527 0.000 0.000 0.298 536 F C 2.632 178.400 175.800 -0.053 0.000 1.096 536 F CA 1.535 59.551 58.000 0.027 0.000 1.275 536 F CB -0.530 38.501 39.000 0.052 0.000 1.008 536 F HN 0.103 nan 8.300 nan 0.000 0.480 537 E N -0.048 120.008 120.200 -0.240 0.000 2.085 537 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 537 E C 2.311 178.945 176.600 0.058 0.000 0.994 537 E CA 1.946 58.004 56.400 -0.570 0.000 0.801 537 E CB -0.224 29.143 29.700 -0.556 0.000 0.743 537 E HN 0.408 nan 8.360 nan 0.000 0.453 538 T N -0.188 114.427 114.554 0.101 0.000 2.777 538 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 538 T C 2.039 176.644 174.700 -0.158 0.000 1.040 538 T CA 1.435 63.520 62.100 -0.026 0.000 1.141 538 T CB -0.387 68.717 68.868 0.393 0.000 0.868 538 T HN 0.218 nan 8.240 nan 0.000 0.444 539 I N -0.164 120.358 120.570 -0.080 0.000 2.264 539 I HA -0.115 4.055 4.170 -0.000 0.000 0.248 539 I C 2.436 178.576 176.117 0.037 0.000 1.111 539 I CA 1.741 62.978 61.300 -0.104 0.000 1.382 539 I CB -0.537 37.392 38.000 -0.118 0.000 1.060 539 I HN 0.293 nan 8.210 nan 0.000 0.418 540 Y N 0.946 121.286 120.300 0.067 0.000 2.200 540 Y HA -0.271 4.279 4.550 -0.000 0.000 0.290 540 Y C 2.758 178.777 175.900 0.198 0.000 1.137 540 Y CA 1.650 59.880 58.100 0.216 0.000 1.163 540 Y CB -0.752 37.975 38.460 0.445 0.000 0.988 540 Y HN 0.204 nan 8.280 nan 0.000 0.518 541 H N -0.032 119.013 119.070 -0.043 0.000 2.321 541 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 541 H C 2.158 177.175 175.328 -0.519 0.000 1.087 541 H CA 1.559 57.303 56.048 -0.508 0.000 1.319 541 H CB -0.279 28.972 29.762 -0.851 0.000 1.379 541 H HN 0.425 nan 8.280 nan 0.000 0.501 542 A N 0.775 123.234 122.820 -0.601 0.000 1.859 542 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 542 A C 2.839 180.124 177.584 -0.499 0.000 1.198 542 A CA 3.063 54.539 52.037 -0.936 0.000 0.629 542 A CB -1.161 17.222 19.000 -1.028 0.000 0.830 542 A HN 0.680 nan 8.150 nan 0.000 0.446 543 S N -1.085 114.428 115.700 -0.312 0.000 2.382 543 S HA -0.178 4.292 4.470 -0.000 0.000 0.228 543 S C 1.918 176.409 174.600 -0.182 0.000 1.027 543 S CA 1.842 59.929 58.200 -0.187 0.000 0.991 543 S CB -0.476 62.688 63.200 -0.061 0.000 0.823 543 S HN 0.341 nan 8.310 nan 0.000 0.469 544 M N 1.695 121.145 119.600 -0.250 0.000 2.117 544 M HA 0.039 4.519 4.480 -0.000 0.000 0.262 544 M C 2.337 178.487 176.300 -0.250 0.000 1.065 544 M CA 1.481 56.635 55.300 -0.243 0.000 1.114 544 M CB -1.403 30.991 32.600 -0.343 0.000 1.361 544 M HN 0.575 nan 8.290 nan 0.000 0.408 545 E N 0.034 120.016 120.200 -0.363 0.000 2.017 545 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 545 E C 2.016 178.507 176.600 -0.182 0.000 0.997 545 E CA 1.319 57.546 56.400 -0.287 0.000 0.804 545 E CB 0.045 29.563 29.700 -0.304 0.000 0.757 545 E HN 0.410 nan 8.360 nan 0.000 0.448 546 A N 0.530 123.236 122.820 -0.191 0.000 1.927 546 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 546 A C 2.334 179.858 177.584 -0.101 0.000 1.185 546 A CA 2.184 54.139 52.037 -0.137 0.000 0.639 546 A CB -0.937 17.974 19.000 -0.147 0.000 0.820 546 A HN 0.337 nan 8.150 nan 0.000 0.451 547 S N -1.872 113.770 115.700 -0.096 0.000 2.423 547 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 547 S C 1.960 176.525 174.600 -0.058 0.000 1.014 547 S CA 1.261 59.428 58.200 -0.055 0.000 0.965 547 S CB -0.800 62.385 63.200 -0.025 0.000 0.785 547 S HN 0.730 nan 8.310 nan 0.000 0.495 548 C N 1.493 120.745 119.300 -0.079 0.000 2.466 548 C HA 0.077 4.537 4.460 -0.000 0.000 0.278 548 C C 2.387 177.320 174.990 -0.094 0.000 1.288 548 C CA 1.003 59.974 59.018 -0.078 0.000 1.722 548 C CB -1.414 26.287 27.740 -0.064 0.000 2.017 548 C HN 0.671 nan 8.230 nan 0.000 0.488 549 E N 0.398 120.539 120.200 -0.098 0.000 2.085 549 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 549 E C 2.001 178.550 176.600 -0.086 0.000 0.994 549 E CA 1.498 57.837 56.400 -0.101 0.000 0.801 549 E CB -0.252 29.397 29.700 -0.085 0.000 0.743 549 E HN 0.662 nan 8.360 nan 0.000 0.453 550 L N 0.341 121.525 121.223 -0.066 0.000 2.141 550 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 550 L C 2.481 179.321 176.870 -0.051 0.000 1.094 550 L CA 0.799 55.611 54.840 -0.046 0.000 0.763 550 L CB -0.320 41.724 42.059 -0.025 0.000 0.908 550 L HN 0.134 nan 8.230 nan 0.000 0.437 551 A N -0.647 122.132 122.820 -0.069 0.000 1.969 551 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 551 A C 2.211 179.745 177.584 -0.083 0.000 1.169 551 A CA 1.225 53.210 52.037 -0.086 0.000 0.635 551 A CB -0.324 18.590 19.000 -0.144 0.000 0.810 551 A HN 0.452 nan 8.150 nan 0.000 0.445 552 Q N -0.821 118.914 119.800 -0.109 0.000 2.297 552 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 552 Q C 1.971 177.915 176.000 -0.093 0.000 0.962 552 Q CA 1.521 57.239 55.803 -0.141 0.000 0.879 552 Q CB -0.013 28.562 28.738 -0.271 0.000 0.947 552 Q HN 0.810 nan 8.270 nan 0.000 0.462 553 K N 0.124 120.482 120.400 -0.070 0.000 2.141 553 K HA -0.045 4.275 4.320 -0.000 0.000 0.202 553 K C 0.714 177.296 176.600 -0.030 0.000 1.045 553 K CA 1.382 57.642 56.287 -0.046 0.000 0.971 553 K CB 0.490 32.967 32.500 -0.039 0.000 0.795 553 K HN -0.070 nan 8.250 nan 0.000 0.459 554 D N 0.341 120.725 120.400 -0.027 0.000 2.479 554 D HA 0.204 4.844 4.640 -0.000 0.000 0.218 554 D C -0.035 176.254 176.300 -0.018 0.000 1.177 554 D CA 0.620 54.611 54.000 -0.014 0.000 0.830 554 D CB 0.961 41.760 40.800 -0.002 0.000 1.014 554 D HN 0.469 nan 8.370 nan 0.000 0.503 555 G N 2.397 111.177 108.800 -0.034 0.000 2.733 555 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.686 555 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.686 555 G C -2.932 171.923 174.900 -0.075 0.000 1.373 555 G CA -1.176 43.895 45.100 -0.048 0.000 0.838 555 G HN -0.081 nan 8.290 nan 0.000 0.588 556 P HA 0.380 nan 4.420 nan 0.000 0.271 556 P C 0.198 177.442 177.300 -0.095 0.000 1.244 556 P CA -0.211 62.735 63.100 -0.255 0.000 0.793 556 P CB 0.121 31.533 31.700 -0.481 0.000 0.984 557 Y N -1.388 118.910 120.300 -0.005 0.000 2.426 557 Y HA 0.187 4.737 4.550 -0.000 0.000 0.344 557 Y C 1.894 177.851 175.900 0.095 0.000 1.256 557 Y CA -0.583 57.549 58.100 0.054 0.000 1.451 557 Y CB -0.109 38.406 38.460 0.091 0.000 1.342 557 Y HN 0.340 nan 8.280 nan 0.000 0.600 558 E N 0.728 121.029 120.200 0.169 0.000 2.171 558 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 558 E C 1.433 178.074 176.600 0.067 0.000 0.997 558 E CA 2.274 58.717 56.400 0.071 0.000 0.810 558 E CB -0.421 29.304 29.700 0.041 0.000 0.738 558 E HN 0.891 nan 8.360 nan 0.000 0.467 559 T N -0.348 114.327 114.554 0.202 0.000 3.086 559 T HA 0.108 4.458 4.350 -0.000 0.000 0.250 559 T C 0.776 175.515 174.700 0.066 0.000 1.074 559 T CA 0.030 62.277 62.100 0.246 0.000 0.988 559 T CB -0.379 68.831 68.868 0.570 0.000 0.988 559 T HN 0.262 nan 8.240 nan 0.000 0.530 560 F N 2.247 121.832 119.950 -0.609 0.000 2.134 560 F HA -0.009 4.518 4.527 0.000 0.000 0.299 560 F C 0.811 176.466 175.800 -0.241 0.000 1.097 560 F CA 0.699 58.255 58.000 -0.739 0.000 1.264 560 F CB -0.070 38.332 39.000 -0.997 0.000 1.001 560 F HN 0.065 nan 8.300 nan 0.000 0.479 561 Q N 0.746 120.442 119.800 -0.174 0.000 2.247 561 Q HA 0.311 4.651 4.340 -0.000 0.000 0.288 561 Q C 0.939 176.807 176.000 -0.220 0.000 1.079 561 Q CA 1.112 56.805 55.803 -0.184 0.000 0.932 561 Q CB 0.151 28.869 28.738 -0.034 0.000 1.133 561 Q HN 0.558 nan 8.270 nan 0.000 0.377 562 G N 1.427 110.065 108.800 -0.270 0.000 2.217 562 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.246 562 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.246 562 G C 0.357 175.140 174.900 -0.194 0.000 0.990 562 G CA 0.215 45.205 45.100 -0.183 0.000 0.627 562 G HN 0.910 nan 8.290 nan 0.000 0.522 563 S N 0.719 116.250 115.700 -0.282 0.000 2.589 563 S HA 0.499 4.968 4.470 -0.000 0.000 0.265 563 S C -0.618 173.870 174.600 -0.187 0.000 1.342 563 S CA -0.120 57.966 58.200 -0.190 0.000 1.005 563 S CB 1.617 64.728 63.200 -0.148 0.000 0.909 563 S HN 0.028 nan 8.310 nan 0.000 0.555 564 P HA -0.067 nan 4.420 nan 0.000 0.216 564 P C 1.540 178.802 177.300 -0.062 0.000 1.150 564 P CA 1.945 65.005 63.100 -0.067 0.000 0.843 564 P CB -0.254 31.427 31.700 -0.030 0.000 0.787 565 A N 0.059 122.856 122.820 -0.038 0.000 1.933 565 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 565 A C 2.388 179.959 177.584 -0.023 0.000 1.175 565 A CA 2.184 54.254 52.037 0.055 0.000 0.628 565 A CB -1.657 17.493 19.000 0.250 0.000 0.814 565 A HN 0.334 nan 8.150 nan 0.000 0.444 566 S N -0.833 114.623 115.700 -0.408 0.000 2.419 566 S HA -0.154 4.316 4.470 -0.000 0.000 0.233 566 S C 1.377 175.889 174.600 -0.147 0.000 1.016 566 S CA 1.328 59.236 58.200 -0.486 0.000 0.974 566 S CB -0.286 62.329 63.200 -0.974 0.000 0.786 566 S HN 0.517 nan 8.310 nan 0.000 0.492 567 Q N 0.699 120.431 119.800 -0.114 0.000 2.280 567 Q HA 0.319 4.659 4.340 -0.000 0.000 0.202 567 Q C 1.357 177.354 176.000 -0.006 0.000 0.903 567 Q CA 0.533 56.307 55.803 -0.049 0.000 0.948 567 Q CB -0.268 28.439 28.738 -0.052 0.000 1.058 567 Q HN 0.787 nan 8.270 nan 0.000 0.493 568 G N 1.293 110.105 108.800 0.020 0.000 2.155 568 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.257 568 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.257 568 G C 0.165 175.081 174.900 0.027 0.000 0.983 568 G CA 0.013 45.144 45.100 0.052 0.000 0.676 568 G HN 0.398 nan 8.290 nan 0.000 0.528 569 I N 1.468 122.036 120.570 -0.004 0.000 2.301 569 I HA 0.378 4.548 4.170 -0.000 0.000 0.292 569 I C 1.104 177.179 176.117 -0.069 0.000 1.046 569 I CA -0.640 60.635 61.300 -0.041 0.000 1.282 569 I CB 0.620 38.597 38.000 -0.037 0.000 1.409 569 I HN 0.009 nan 8.210 nan 0.000 0.484 570 L N 4.854 125.961 121.223 -0.193 0.000 2.488 570 L HA 0.233 4.573 4.340 -0.000 0.000 0.249 570 L C 1.484 178.147 176.870 -0.346 0.000 1.151 570 L CA -0.480 54.196 54.840 -0.274 0.000 0.806 570 L CB 0.390 42.143 42.059 -0.510 0.000 1.261 570 L HN 0.474 nan 8.230 nan 0.000 0.484 571 Q N 0.912 120.589 119.800 -0.205 0.000 2.030 571 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 571 Q C 1.697 177.656 176.000 -0.069 0.000 0.986 571 Q CA 2.328 58.067 55.803 -0.107 0.000 0.843 571 Q CB -0.437 28.196 28.738 -0.176 0.000 0.904 571 Q HN 0.579 nan 8.270 nan 0.000 0.420 572 F N -0.903 119.029 119.950 -0.029 0.000 2.408 572 F HA 0.009 4.536 4.527 -0.000 0.000 0.300 572 F C 1.284 177.096 175.800 0.020 0.000 1.090 572 F CA 0.869 58.797 58.000 -0.119 0.000 1.427 572 F CB -0.451 38.362 39.000 -0.310 0.000 1.070 572 F HN 0.003 nan 8.300 nan 0.000 0.549 573 D N 1.092 121.412 120.400 -0.133 0.000 2.178 573 D HA -0.124 4.516 4.640 -0.000 0.000 0.202 573 D C 2.092 178.423 176.300 0.052 0.000 0.974 573 D CA 1.357 55.367 54.000 0.017 0.000 0.841 573 D CB -0.308 40.444 40.800 -0.080 0.000 0.953 573 D HN 0.423 nan 8.370 nan 0.000 0.478 574 M N -1.145 118.485 119.600 0.050 0.000 2.394 574 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 574 M C 0.858 177.142 176.300 -0.026 0.000 1.073 574 M CA 0.927 56.227 55.300 0.001 0.000 1.111 574 M CB 0.063 32.641 32.600 -0.036 0.000 1.401 574 M HN 0.044 nan 8.290 nan 0.000 0.448 575 W N 0.333 121.589 121.300 -0.073 0.000 3.330 575 W HA 0.151 4.811 4.660 0.000 0.000 0.348 575 W C -0.062 176.425 176.519 -0.054 0.000 1.205 575 W CA -0.503 56.796 57.345 -0.077 0.000 1.841 575 W CB -0.163 29.239 29.460 -0.097 0.000 1.084 575 W HN 0.124 nan 8.180 nan 0.000 0.665 576 D N 1.510 122.001 120.400 0.152 0.000 2.704 576 D HA -0.201 4.439 4.640 -0.000 0.000 0.232 576 D C -0.016 176.350 176.300 0.109 0.000 1.183 576 D CA 0.959 55.020 54.000 0.102 0.000 0.647 576 D CB -0.498 40.329 40.800 0.046 0.000 1.013 576 D HN 0.252 nan 8.370 nan 0.000 0.415 577 Q N 0.393 120.280 119.800 0.144 0.000 2.337 577 Q HA 0.279 4.619 4.340 -0.000 0.000 0.270 577 Q C -0.207 175.832 176.000 0.064 0.000 1.043 577 Q CA -0.559 55.290 55.803 0.077 0.000 0.794 577 Q CB 1.952 30.704 28.738 0.023 0.000 1.281 577 Q HN 0.108 nan 8.270 nan 0.000 0.446 578 K N 3.730 124.129 120.400 -0.002 0.000 2.322 578 K HA 0.270 4.590 4.320 -0.000 0.000 0.283 578 K C -2.072 174.401 176.600 -0.210 0.000 1.042 578 K CA -1.293 54.957 56.287 -0.063 0.000 0.958 578 K CB 0.384 32.869 32.500 -0.025 0.000 0.984 578 K HN 0.321 nan 8.250 nan 0.000 0.473 579 P HA -0.131 nan 4.420 nan 0.000 0.270 579 P C 0.042 177.308 177.300 -0.058 0.000 1.223 579 P CA 0.088 62.848 63.100 -0.566 0.000 0.785 579 P CB 0.453 31.417 31.700 -1.226 0.000 0.923 580 Y N 1.947 122.264 120.300 0.028 0.000 2.207 580 Y HA -0.123 4.427 4.550 -0.000 0.000 0.287 580 Y C 1.754 177.672 175.900 0.030 0.000 1.156 580 Y CA 2.143 60.270 58.100 0.045 0.000 1.182 580 Y CB -0.484 38.019 38.460 0.072 0.000 0.979 580 Y HN 0.673 nan 8.280 nan 0.000 0.521 581 G N 0.085 108.915 108.800 0.050 0.000 2.144 581 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.218 581 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.218 581 G C 0.862 175.663 174.900 -0.164 0.000 0.988 581 G CA 0.359 45.443 45.100 -0.027 0.000 0.659 581 G HN 0.512 nan 8.290 nan 0.000 0.522 582 M N -1.096 118.429 119.600 -0.126 0.000 2.374 582 M HA 0.278 4.758 4.480 -0.000 0.000 0.264 582 M C 0.638 176.491 176.300 -0.746 0.000 1.067 582 M CA 1.260 56.322 55.300 -0.397 0.000 1.103 582 M CB 0.010 32.428 32.600 -0.302 0.000 1.402 582 M HN 0.328 nan 8.290 nan 0.000 0.444 583 W N -0.356 120.726 121.300 -0.363 0.000 2.882 583 W HA 0.307 4.967 4.660 -0.000 0.000 0.345 583 W C -0.746 175.378 176.519 -0.658 0.000 1.125 583 W CA -0.927 55.982 57.345 -0.726 0.000 1.167 583 W CB 0.549 29.188 29.460 -1.368 0.000 1.431 583 W HN -0.155 nan 8.180 nan 0.000 0.543 584 D N 1.053 121.282 120.400 -0.285 0.000 2.383 584 D HA 0.042 4.682 4.640 -0.000 0.000 0.245 584 D C 0.156 176.494 176.300 0.064 0.000 1.263 584 D CA -0.080 53.885 54.000 -0.057 0.000 0.936 584 D CB 0.247 41.049 40.800 0.004 0.000 1.053 584 D HN 0.375 nan 8.370 nan 0.000 0.507 585 W N 2.136 123.586 121.300 0.250 0.000 2.518 585 W HA 0.022 4.682 4.660 -0.000 0.000 0.273 585 W C 1.655 178.316 176.519 0.235 0.000 1.247 585 W CA 0.025 57.564 57.345 0.323 0.000 1.288 585 W CB 0.168 29.858 29.460 0.383 0.000 1.107 585 W HN 0.369 nan 8.180 nan 0.000 0.586 586 D N -0.634 119.983 120.400 0.361 0.000 2.117 586 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 586 D C 2.064 178.476 176.300 0.186 0.000 0.987 586 D CA 1.979 56.125 54.000 0.243 0.000 0.829 586 D CB -0.613 40.290 40.800 0.172 0.000 0.961 586 D HN -0.064 nan 8.370 nan 0.000 0.460 587 T N 0.645 115.295 114.554 0.160 0.000 2.674 587 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 587 T C 1.755 176.529 174.700 0.124 0.000 1.039 587 T CA 0.460 62.633 62.100 0.121 0.000 1.150 587 T CB -0.343 68.583 68.868 0.097 0.000 0.864 587 T HN -0.003 nan 8.240 nan 0.000 0.427 588 L N 1.553 122.859 121.223 0.138 0.000 1.989 588 L HA -0.052 4.288 4.340 -0.000 0.000 0.211 588 L C 2.548 179.498 176.870 0.134 0.000 1.071 588 L CA 1.834 56.723 54.840 0.083 0.000 0.749 588 L CB -0.726 41.323 42.059 -0.017 0.000 0.890 588 L HN 0.129 nan 8.230 nan 0.000 0.431 589 R N -0.503 120.126 120.500 0.215 0.000 2.096 589 R HA -0.258 4.082 4.340 -0.000 0.000 0.240 589 R C 2.363 178.745 176.300 0.136 0.000 1.139 589 R CA 2.202 58.418 56.100 0.193 0.000 0.952 589 R CB -0.182 30.253 30.300 0.224 0.000 0.854 589 R HN 0.316 nan 8.270 nan 0.000 0.436 590 K N 0.129 120.602 120.400 0.122 0.000 2.032 590 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 590 K C 1.876 178.519 176.600 0.071 0.000 1.048 590 K CA 1.987 58.325 56.287 0.085 0.000 0.927 590 K CB -0.165 32.381 32.500 0.077 0.000 0.712 590 K HN 0.232 nan 8.250 nan 0.000 0.441 591 D N 0.583 121.040 120.400 0.094 0.000 2.116 591 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 591 D C 1.849 178.220 176.300 0.119 0.000 0.998 591 D CA 1.192 55.272 54.000 0.133 0.000 0.836 591 D CB -0.146 40.733 40.800 0.132 0.000 0.951 591 D HN 0.194 nan 8.370 nan 0.000 0.449 592 I N 0.243 120.876 120.570 0.104 0.000 2.202 592 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 592 I C 2.486 178.702 176.117 0.166 0.000 1.091 592 I CA 0.733 62.103 61.300 0.117 0.000 1.368 592 I CB -0.156 37.934 38.000 0.151 0.000 1.058 592 I HN -0.049 nan 8.210 nan 0.000 0.410 593 M N -0.073 119.615 119.600 0.147 0.000 2.358 593 M HA -0.221 4.259 4.480 -0.000 0.000 0.264 593 M C 2.233 178.579 176.300 0.077 0.000 1.064 593 M CA 1.596 56.981 55.300 0.141 0.000 1.093 593 M CB -0.202 32.449 32.600 0.084 0.000 1.401 593 M HN 0.174 nan 8.290 nan 0.000 0.440 594 K N -0.863 119.522 120.400 -0.025 0.000 2.262 594 K HA -0.019 4.301 4.320 -0.000 0.000 0.200 594 K C 1.215 177.640 176.600 -0.292 0.000 1.058 594 K CA 0.797 56.970 56.287 -0.191 0.000 0.974 594 K CB 0.275 32.577 32.500 -0.331 0.000 0.910 594 K HN 0.356 nan 8.250 nan 0.000 0.484 595 H N -0.770 118.282 119.070 -0.029 0.000 2.582 595 H HA 0.235 4.791 4.556 0.000 0.000 0.269 595 H C 0.676 175.863 175.328 -0.235 0.000 0.962 595 H CA 0.310 56.301 56.048 -0.094 0.000 1.230 595 H CB 1.013 30.727 29.762 -0.081 0.000 1.445 595 H HN 0.465 nan 8.280 nan 0.000 0.528 596 G N 0.459 109.122 108.800 -0.228 0.000 2.725 596 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.220 596 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.220 596 G C -0.599 173.989 174.900 -0.520 0.000 1.357 596 G CA -0.398 44.167 45.100 -0.892 0.000 0.866 596 G HN 0.659 nan 8.290 nan 0.000 0.548 597 V N -3.524 116.023 119.914 -0.613 0.000 2.962 597 V HA 0.881 5.001 4.120 -0.000 0.000 0.313 597 V C 1.209 177.304 176.094 0.003 0.000 1.099 597 V CA 0.022 62.240 62.300 -0.136 0.000 0.971 597 V CB 1.750 33.616 31.823 0.073 0.000 1.028 597 V HN 1.186 nan 8.190 nan 0.000 0.430 598 R N 1.761 122.292 120.500 0.052 0.000 2.115 598 R HA 0.153 4.493 4.340 -0.000 0.000 0.226 598 R C 0.365 176.793 176.300 0.212 0.000 1.100 598 R CA 1.406 57.575 56.100 0.115 0.000 0.980 598 R CB -0.378 29.946 30.300 0.040 0.000 0.875 598 R HN 0.935 nan 8.270 nan 0.000 0.445 599 N N -1.266 117.506 118.700 0.121 0.000 2.321 599 N HA 0.113 4.853 4.740 -0.000 0.000 0.299 599 N C 0.014 175.402 175.510 -0.203 0.000 1.048 599 N CA 0.020 53.037 53.050 -0.056 0.000 0.836 599 N CB 2.082 40.556 38.487 -0.022 0.000 1.269 599 N HN 0.014 nan 8.380 nan 0.000 0.486 600 S N 1.217 116.559 115.700 -0.596 0.000 2.461 600 S HA 0.136 4.606 4.470 -0.000 0.000 0.228 600 S C 0.322 174.855 174.600 -0.111 0.000 1.005 600 S CA 0.469 58.325 58.200 -0.572 0.000 0.942 600 S CB -0.225 62.532 63.200 -0.738 0.000 0.776 600 S HN 0.440 nan 8.310 nan 0.000 0.514 601 L N 0.163 121.345 121.223 -0.068 0.000 2.506 601 L HA 0.474 4.814 4.340 -0.000 0.000 0.257 601 L C 0.404 177.298 176.870 0.040 0.000 0.964 601 L CA -0.124 54.730 54.840 0.023 0.000 0.836 601 L CB 2.401 44.462 42.059 0.003 0.000 1.384 601 L HN 0.192 nan 8.230 nan 0.000 0.410 602 T N -3.206 111.406 114.554 0.096 0.000 2.992 602 T HA 0.347 4.697 4.350 -0.000 0.000 0.255 602 T C 0.299 175.054 174.700 0.091 0.000 0.938 602 T CA -0.177 61.975 62.100 0.087 0.000 0.895 602 T CB 0.462 69.392 68.868 0.104 0.000 1.221 602 T HN 0.213 nan 8.240 nan 0.000 0.512 603 M N 2.292 121.954 119.600 0.104 0.000 2.149 603 M HA 0.756 5.236 4.480 -0.000 0.000 0.342 603 M C -0.840 175.487 176.300 0.046 0.000 1.068 603 M CA -0.615 54.734 55.300 0.082 0.000 0.991 603 M CB 0.904 33.547 32.600 0.071 0.000 1.596 603 M HN 0.367 nan 8.290 nan 0.000 0.439 604 A N 5.459 128.312 122.820 0.055 0.000 2.969 604 A HA 0.620 4.940 4.320 -0.000 0.000 0.303 604 A C -2.761 174.875 177.584 0.086 0.000 1.198 604 A CA -1.103 50.965 52.037 0.052 0.000 0.819 604 A CB 0.430 19.453 19.000 0.038 0.000 1.385 604 A HN 0.444 nan 8.150 nan 0.000 0.479 605 P HA 0.164 nan 4.420 nan 0.000 0.262 605 P C 0.254 177.726 177.300 0.286 0.000 1.199 605 P CA 0.450 63.669 63.100 0.198 0.000 0.763 605 P CB 0.419 32.177 31.700 0.096 0.000 0.790 606 M N 4.314 124.071 119.600 0.262 0.000 2.613 606 M HA 0.651 5.131 4.480 -0.000 0.000 0.301 606 M C -2.784 173.648 176.300 0.218 0.000 1.205 606 M CA -2.850 52.563 55.300 0.189 0.000 0.950 606 M CB 0.404 33.075 32.600 0.117 0.000 1.585 606 M HN -0.030 nan 8.290 nan 0.000 0.490 607 P HA 0.160 nan 4.420 nan 0.000 0.276 607 P C -0.122 177.239 177.300 0.103 0.000 1.235 607 P CA 0.158 63.321 63.100 0.105 0.000 0.772 607 P CB 0.029 31.826 31.700 0.161 0.000 0.871 608 T N -0.673 113.930 114.554 0.082 0.000 3.315 608 T HA 0.473 4.823 4.350 -0.000 0.000 0.275 608 T C 1.291 176.034 174.700 0.072 0.000 1.598 608 T CA -0.239 61.914 62.100 0.089 0.000 1.368 608 T CB -0.429 68.498 68.868 0.098 0.000 1.079 608 T HN 0.295 nan 8.240 nan 0.000 0.703 609 A N 2.203 125.072 122.820 0.080 0.000 1.865 609 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 609 A C 2.506 180.129 177.584 0.065 0.000 1.191 609 A CA 1.924 54.002 52.037 0.068 0.000 0.623 609 A CB -0.892 18.159 19.000 0.085 0.000 0.826 609 A HN 0.709 nan 8.150 nan 0.000 0.444 610 S N -0.719 115.033 115.700 0.087 0.000 2.439 610 S HA -0.062 4.408 4.470 -0.000 0.000 0.224 610 S C 2.027 176.635 174.600 0.012 0.000 1.029 610 S CA 1.271 59.523 58.200 0.086 0.000 0.946 610 S CB -0.488 62.822 63.200 0.183 0.000 0.797 610 S HN 0.853 nan 8.310 nan 0.000 0.504 611 T N 1.763 116.325 114.554 0.013 0.000 2.857 611 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 611 T C 2.093 176.793 174.700 -0.000 0.000 1.048 611 T CA 1.361 63.446 62.100 -0.027 0.000 1.139 611 T CB -0.738 68.135 68.868 0.009 0.000 0.874 611 T HN 0.477 nan 8.240 nan 0.000 0.455 612 S N 1.377 117.101 115.700 0.040 0.000 2.402 612 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 612 S C 2.256 176.869 174.600 0.021 0.000 1.021 612 S CA 0.951 59.191 58.200 0.066 0.000 0.974 612 S CB -0.709 62.543 63.200 0.087 0.000 0.800 612 S HN 0.580 nan 8.310 nan 0.000 0.484 613 Q N 0.769 120.572 119.800 0.006 0.000 2.084 613 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 613 Q C 2.118 178.114 176.000 -0.006 0.000 0.978 613 Q CA 1.676 57.479 55.803 0.000 0.000 0.844 613 Q CB -0.316 28.430 28.738 0.012 0.000 0.898 613 Q HN 0.667 nan 8.270 nan 0.000 0.426 614 I N 0.290 120.831 120.570 -0.048 0.000 2.142 614 I HA -0.304 3.866 4.170 -0.000 0.000 0.240 614 I C 1.934 178.059 176.117 0.013 0.000 1.078 614 I CA 1.045 62.307 61.300 -0.064 0.000 1.343 614 I CB -0.141 37.745 38.000 -0.190 0.000 1.046 614 I HN 0.250 nan 8.210 nan 0.000 0.405 615 L N 0.487 121.678 121.223 -0.053 0.000 2.552 615 L HA 0.064 4.404 4.340 -0.000 0.000 0.227 615 L C 1.336 177.927 176.870 -0.466 0.000 1.146 615 L CA 0.634 55.363 54.840 -0.185 0.000 0.858 615 L CB -0.745 41.230 42.059 -0.140 0.000 0.969 615 L HN 0.585 nan 8.230 nan 0.000 0.451 616 G N -0.404 108.239 108.800 -0.263 0.000 2.182 616 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.248 616 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.248 616 G C -0.225 174.518 174.900 -0.262 0.000 1.042 616 G CA -0.164 44.795 45.100 -0.235 0.000 0.775 616 G HN 0.389 nan 8.290 nan 0.000 0.501 617 Y N -0.816 119.510 120.300 0.044 0.000 2.602 617 Y HA 0.503 5.053 4.550 0.000 0.000 0.342 617 Y C 0.762 176.679 175.900 0.028 0.000 1.029 617 Y CA -1.271 56.862 58.100 0.056 0.000 1.080 617 Y CB 1.123 39.611 38.460 0.047 0.000 1.284 617 Y HN 0.131 nan 8.280 nan 0.000 0.485 618 N N 0.814 119.653 118.700 0.231 0.000 2.399 618 N HA -0.055 4.685 4.740 -0.000 0.000 0.250 618 N C 0.575 176.120 175.510 0.057 0.000 1.272 618 N CA 0.088 53.194 53.050 0.093 0.000 0.928 618 N CB 1.077 39.610 38.487 0.077 0.000 1.158 618 N HN 0.781 nan 8.380 nan 0.000 0.463 619 E N 0.657 120.853 120.200 -0.007 0.000 2.082 619 E HA -0.234 4.116 4.350 -0.000 0.000 0.215 619 E C 1.171 177.760 176.600 -0.019 0.000 1.048 619 E CA 2.749 59.134 56.400 -0.024 0.000 0.869 619 E CB -0.051 29.607 29.700 -0.069 0.000 0.773 619 E HN 0.813 nan 8.360 nan 0.000 0.466 620 C N -4.119 115.144 119.300 -0.062 0.000 3.322 620 C HA 0.210 4.670 4.460 -0.000 0.000 0.176 620 C C 1.082 176.161 174.990 0.147 0.000 2.619 620 C CA -0.131 58.894 59.018 0.011 0.000 0.958 620 C CB -0.711 26.985 27.740 -0.072 0.000 1.325 620 C HN 0.301 nan 8.230 nan 0.000 0.682 621 F N 1.501 121.554 119.950 0.172 0.000 2.698 621 F HA 0.613 5.140 4.527 0.000 0.000 0.304 621 F C 0.196 176.165 175.800 0.282 0.000 1.108 621 F CA -0.502 57.627 58.000 0.216 0.000 1.263 621 F CB -0.485 38.661 39.000 0.244 0.000 1.013 621 F HN 0.266 nan 8.300 nan 0.000 0.532 622 E N 2.624 122.773 120.200 -0.086 0.000 2.313 622 E HA 0.313 4.663 4.350 -0.000 0.000 0.272 622 E C -2.380 174.125 176.600 -0.159 0.000 1.038 622 E CA -2.080 54.239 56.400 -0.134 0.000 0.863 622 E CB 0.868 30.435 29.700 -0.222 0.000 1.060 622 E HN -0.013 nan 8.360 nan 0.000 0.402 623 P HA -0.056 nan 4.420 nan 0.000 0.272 623 P C -0.639 176.441 177.300 -0.367 0.000 1.230 623 P CA -0.359 62.382 63.100 -0.598 0.000 0.788 623 P CB 0.485 31.575 31.700 -1.018 0.000 0.949 624 V N 2.346 122.156 119.914 -0.172 0.000 2.644 624 V HA -0.048 4.072 4.120 -0.000 0.000 0.305 624 V C 1.505 177.457 176.094 -0.237 0.000 1.053 624 V CA 1.545 63.775 62.300 -0.117 0.000 1.186 624 V CB 0.198 32.051 31.823 0.049 0.000 0.895 624 V HN 0.873 nan 8.190 nan 0.000 0.490 625 T N 2.892 117.299 114.554 -0.245 0.000 3.043 625 T HA 0.148 4.498 4.350 -0.000 0.000 0.263 625 T C 0.747 175.426 174.700 -0.035 0.000 1.094 625 T CA 0.843 62.748 62.100 -0.325 0.000 1.127 625 T CB -0.021 68.698 68.868 -0.249 0.000 0.905 625 T HN 0.942 nan 8.240 nan 0.000 0.490 626 S N -0.337 115.407 115.700 0.073 0.000 2.548 626 S HA 0.377 4.847 4.470 -0.000 0.000 0.278 626 S C -0.453 174.289 174.600 0.238 0.000 1.150 626 S CA -0.826 57.493 58.200 0.198 0.000 0.907 626 S CB 1.147 64.505 63.200 0.262 0.000 1.108 626 S HN 0.260 nan 8.310 nan 0.000 0.459 627 N N 2.617 121.407 118.700 0.150 0.000 2.461 627 N HA 0.194 4.934 4.740 -0.000 0.000 0.188 627 N C -0.259 175.204 175.510 -0.079 0.000 1.134 627 N CA 0.514 53.609 53.050 0.075 0.000 0.878 627 N CB 0.144 38.644 38.487 0.022 0.000 0.972 627 N HN 0.572 nan 8.380 nan 0.000 0.456 628 M N 0.355 119.912 119.600 -0.072 0.000 2.365 628 M HA 0.217 4.697 4.480 -0.000 0.000 0.288 628 M C -2.017 174.163 176.300 -0.199 0.000 1.152 628 M CA -0.644 54.435 55.300 -0.368 0.000 0.948 628 M CB 1.850 34.318 32.600 -0.221 0.000 1.729 628 M HN 0.030 nan 8.290 nan 0.000 0.487 629 Y N -0.722 119.511 120.300 -0.112 0.000 2.741 629 Y HA 0.676 5.226 4.550 -0.000 0.000 0.339 629 Y C -1.265 174.544 175.900 -0.153 0.000 1.226 629 Y CA -1.241 56.795 58.100 -0.105 0.000 1.072 629 Y CB 0.707 39.111 38.460 -0.094 0.000 1.331 629 Y HN 0.429 nan 8.280 nan 0.000 0.453 630 S N 1.910 117.685 115.700 0.125 0.000 2.541 630 S HA 0.652 5.122 4.470 -0.000 0.000 0.283 630 S C -0.532 174.115 174.600 0.078 0.000 1.196 630 S CA -0.934 57.296 58.200 0.050 0.000 1.062 630 S CB 0.728 63.962 63.200 0.057 0.000 1.009 630 S HN 0.435 nan 8.310 nan 0.000 0.502 631 R N 1.781 122.309 120.500 0.047 0.000 2.787 631 R HA 0.386 4.726 4.340 -0.000 0.000 0.271 631 R C 0.469 176.920 176.300 0.252 0.000 0.993 631 R CA -0.941 55.214 56.100 0.092 0.000 0.993 631 R CB 0.833 31.086 30.300 -0.079 0.000 1.155 631 R HN 0.661 nan 8.270 nan 0.000 0.486 632 R N 1.286 121.941 120.500 0.258 0.000 2.919 632 R HA -0.046 4.294 4.340 -0.000 0.000 0.271 632 R C 0.510 176.986 176.300 0.293 0.000 0.995 632 R CA 0.417 56.663 56.100 0.242 0.000 1.158 632 R CB 0.116 30.535 30.300 0.198 0.000 1.071 632 R HN 0.432 nan 8.270 nan 0.000 0.476 633 V N -0.038 120.005 119.914 0.216 0.000 4.373 633 V HA 0.150 4.270 4.120 -0.000 0.000 0.261 633 V C 1.042 177.254 176.094 0.196 0.000 0.886 633 V CA 0.246 62.668 62.300 0.202 0.000 0.736 633 V CB -0.845 31.060 31.823 0.137 0.000 1.107 633 V HN 0.901 nan 8.190 nan 0.000 0.347 634 L N -0.409 120.894 121.223 0.132 0.000 2.238 634 L HA -0.110 4.230 4.340 -0.000 0.000 0.705 634 L C 0.400 177.303 176.870 0.054 0.000 1.112 634 L CA 0.493 55.380 54.840 0.079 0.000 1.413 634 L CB -1.742 40.359 42.059 0.069 0.000 2.179 634 L HN 1.455 nan 8.230 nan 0.000 0.982 635 S N 0.292 116.032 115.700 0.066 0.000 3.858 635 S HA 0.113 4.583 4.470 -0.000 0.000 0.356 635 S C 0.470 175.182 174.600 0.187 0.000 1.013 635 S CA 1.529 59.771 58.200 0.069 0.000 1.083 635 S CB -1.125 62.066 63.200 -0.015 0.000 0.883 635 S HN 2.459 nan 8.310 nan 0.000 0.475 636 G N 0.119 109.037 108.800 0.195 0.000 2.278 636 G HA2 0.377 4.337 3.960 -0.000 0.000 0.265 636 G HA3 0.377 4.337 3.960 -0.000 0.000 0.265 636 G C -1.281 173.731 174.900 0.187 0.000 1.329 636 G CA 0.352 45.571 45.100 0.199 0.000 1.017 636 G HN 1.262 nan 8.290 nan 0.000 0.472 637 E N -0.719 119.560 120.200 0.131 0.000 2.287 637 E HA 0.628 4.978 4.350 -0.000 0.000 0.274 637 E C -1.808 174.905 176.600 0.187 0.000 0.896 637 E CA -0.758 55.739 56.400 0.162 0.000 0.788 637 E CB 1.023 30.787 29.700 0.107 0.000 1.244 637 E HN 0.677 nan 8.360 nan 0.000 0.408 638 F N 4.483 124.470 119.950 0.061 0.000 2.390 638 F HA 0.316 4.843 4.527 0.000 0.000 0.361 638 F C 0.166 175.956 175.800 -0.016 0.000 1.124 638 F CA -0.868 57.145 58.000 0.022 0.000 1.149 638 F CB 0.806 39.962 39.000 0.261 0.000 1.160 638 F HN 0.338 nan 8.300 nan 0.000 0.501 639 Q N 4.913 124.655 119.800 -0.097 0.000 2.296 639 Q HA 0.325 4.665 4.340 -0.000 0.000 0.262 639 Q C -0.920 174.681 176.000 -0.665 0.000 0.981 639 Q CA -0.081 55.536 55.803 -0.309 0.000 0.905 639 Q CB 2.040 30.698 28.738 -0.134 0.000 1.186 639 Q HN 0.485 nan 8.270 nan 0.000 0.399 640 V N 2.889 122.402 119.914 -0.669 0.000 2.808 640 V HA 0.385 4.505 4.120 -0.000 0.000 0.308 640 V C -0.983 174.596 176.094 -0.857 0.000 1.099 640 V CA -0.812 61.025 62.300 -0.771 0.000 0.920 640 V CB 2.646 33.965 31.823 -0.841 0.000 1.014 640 V HN 0.533 nan 8.190 nan 0.000 0.425 641 V N 5.270 124.831 119.914 -0.588 0.000 2.513 641 V HA 0.555 4.675 4.120 -0.000 0.000 0.299 641 V C 0.226 176.084 176.094 -0.393 0.000 1.035 641 V CA -0.723 61.283 62.300 -0.490 0.000 0.889 641 V CB 1.815 33.469 31.823 -0.282 0.000 0.988 641 V HN 1.022 nan 8.190 nan 0.000 0.440 642 N N 7.643 126.171 118.700 -0.286 0.000 2.034 642 N HA -0.023 4.717 4.740 -0.000 0.000 0.293 642 N C -1.782 173.570 175.510 -0.262 0.000 1.336 642 N CA -0.281 52.681 53.050 -0.146 0.000 0.819 642 N CB 1.247 39.695 38.487 -0.065 0.000 1.071 642 N HN 0.489 nan 8.380 nan 0.000 0.495 643 P HA -0.110 nan 4.420 nan 0.000 0.217 643 P C 0.670 177.751 177.300 -0.365 0.000 1.150 643 P CA 1.500 64.350 63.100 -0.417 0.000 0.832 643 P CB -0.044 31.332 31.700 -0.541 0.000 0.787 644 Y N -0.770 119.505 120.300 -0.042 0.000 2.133 644 Y HA -0.105 4.445 4.550 0.000 0.000 0.287 644 Y C 2.422 178.270 175.900 -0.087 0.000 1.134 644 Y CA 0.245 58.360 58.100 0.025 0.000 1.133 644 Y CB -1.453 37.124 38.460 0.196 0.000 0.987 644 Y HN -0.155 nan 8.280 nan 0.000 0.502 645 L N 0.246 121.298 121.223 -0.285 0.000 2.043 645 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 645 L C 2.205 178.884 176.870 -0.318 0.000 1.075 645 L CA 1.508 55.945 54.840 -0.671 0.000 0.752 645 L CB -0.903 40.573 42.059 -0.971 0.000 0.891 645 L HN 0.295 nan 8.230 nan 0.000 0.432 646 L N -0.144 120.880 121.223 -0.332 0.000 2.012 646 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 646 L C 2.699 179.353 176.870 -0.360 0.000 1.073 646 L CA 1.842 56.419 54.840 -0.438 0.000 0.748 646 L CB -0.732 41.000 42.059 -0.544 0.000 0.891 646 L HN 0.270 nan 8.230 nan 0.000 0.431 647 R N -0.468 119.887 120.500 -0.242 0.000 2.096 647 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 647 R C 1.932 178.199 176.300 -0.055 0.000 1.127 647 R CA 1.498 57.505 56.100 -0.154 0.000 0.968 647 R CB -0.490 29.762 30.300 -0.080 0.000 0.861 647 R HN 0.444 nan 8.270 nan 0.000 0.440 648 D N 0.589 120.991 120.400 0.003 0.000 2.104 648 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 648 D C 1.889 178.226 176.300 0.062 0.000 0.994 648 D CA 1.131 55.177 54.000 0.077 0.000 0.830 648 D CB -0.142 40.766 40.800 0.180 0.000 0.959 648 D HN 0.173 nan 8.370 nan 0.000 0.452 649 L N 0.026 121.268 121.223 0.032 0.000 2.093 649 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 649 L C 2.414 179.365 176.870 0.136 0.000 1.085 649 L CA 0.452 55.361 54.840 0.114 0.000 0.755 649 L CB -0.286 41.910 42.059 0.229 0.000 0.904 649 L HN -0.036 nan 8.230 nan 0.000 0.435 650 V N -0.330 119.602 119.914 0.030 0.000 2.427 650 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 650 V C 1.944 178.083 176.094 0.075 0.000 1.051 650 V CA 1.683 64.016 62.300 0.056 0.000 1.048 650 V CB -0.449 31.312 31.823 -0.103 0.000 0.666 650 V HN 0.398 nan 8.190 nan 0.000 0.456 651 D N -0.005 120.427 120.400 0.053 0.000 2.224 651 D HA -0.017 4.623 4.640 -0.000 0.000 0.205 651 D C 1.869 178.217 176.300 0.080 0.000 0.965 651 D CA 0.859 54.901 54.000 0.070 0.000 0.852 651 D CB -0.065 40.773 40.800 0.063 0.000 0.947 651 D HN 0.340 nan 8.370 nan 0.000 0.494 652 L N -0.542 120.732 121.223 0.085 0.000 2.610 652 L HA 0.127 4.467 4.340 -0.000 0.000 0.232 652 L C 1.863 178.783 176.870 0.083 0.000 1.149 652 L CA 0.488 55.377 54.840 0.082 0.000 0.872 652 L CB -0.127 41.982 42.059 0.084 0.000 0.992 652 L HN 0.151 nan 8.230 nan 0.000 0.447 653 G N 0.477 109.338 108.800 0.101 0.000 2.458 653 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.237 653 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.237 653 G C 1.004 175.969 174.900 0.109 0.000 1.113 653 G CA 0.459 45.620 45.100 0.102 0.000 0.655 653 G HN 0.298 nan 8.290 nan 0.000 0.513 654 I N -0.132 120.495 120.570 0.094 0.000 2.550 654 I HA -0.182 3.988 4.170 -0.000 0.000 0.265 654 I C 1.447 177.617 176.117 0.089 0.000 1.156 654 I CA 1.066 62.410 61.300 0.073 0.000 1.431 654 I CB -0.081 37.961 38.000 0.070 0.000 1.110 654 I HN 0.407 nan 8.210 nan 0.000 0.455 655 W N 3.197 124.497 121.300 0.001 0.000 2.546 655 W HA 0.133 4.793 4.660 -0.000 0.000 0.323 655 W C 0.182 176.704 176.519 0.007 0.000 1.272 655 W CA 0.086 57.428 57.345 -0.005 0.000 1.404 655 W CB 0.157 29.605 29.460 -0.019 0.000 1.411 655 W HN -0.031 nan 8.180 nan 0.000 0.480 656 D N 2.865 122.864 120.400 -0.669 0.000 2.299 656 D HA 0.050 4.690 4.640 -0.000 0.000 0.243 656 D C -0.807 174.993 176.300 -0.833 0.000 0.982 656 D CA -0.659 53.026 54.000 -0.526 0.000 0.924 656 D CB 1.646 42.236 40.800 -0.350 0.000 1.238 656 D HN 0.278 nan 8.370 nan 0.000 0.484 657 E N 0.032 119.954 120.200 -0.463 0.000 2.328 657 E HA 0.353 4.703 4.350 -0.000 0.000 0.265 657 E C 0.670 177.106 176.600 -0.273 0.000 1.057 657 E CA 0.639 56.832 56.400 -0.346 0.000 0.916 657 E CB -0.079 29.521 29.700 -0.167 0.000 0.993 657 E HN 0.612 nan 8.360 nan 0.000 0.446 658 G N 4.375 113.017 108.800 -0.263 0.000 3.131 658 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.198 658 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.198 658 G C 0.819 175.620 174.900 -0.165 0.000 1.435 658 G CA 0.144 45.144 45.100 -0.167 0.000 1.016 658 G HN 0.509 nan 8.290 nan 0.000 0.499 659 M N 1.941 121.351 119.600 -0.316 0.000 2.117 659 M HA 0.157 4.637 4.480 -0.000 0.000 0.262 659 M C 2.239 178.397 176.300 -0.237 0.000 1.065 659 M CA 2.873 57.988 55.300 -0.309 0.000 1.114 659 M CB -0.710 31.576 32.600 -0.523 0.000 1.361 659 M HN 0.497 nan 8.290 nan 0.000 0.408 660 K N -0.530 119.595 120.400 -0.459 0.000 2.026 660 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 660 K C 1.942 178.508 176.600 -0.056 0.000 1.048 660 K CA 1.749 57.920 56.287 -0.192 0.000 0.929 660 K CB -0.350 31.991 32.500 -0.267 0.000 0.713 660 K HN 0.528 nan 8.250 nan 0.000 0.439 661 Q N -0.821 118.933 119.800 -0.077 0.000 2.079 661 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 661 Q C 2.014 178.017 176.000 0.004 0.000 0.974 661 Q CA 1.722 57.507 55.803 -0.030 0.000 0.840 661 Q CB -0.298 28.421 28.738 -0.032 0.000 0.898 661 Q HN 0.468 nan 8.270 nan 0.000 0.430 662 Y N 1.432 121.687 120.300 -0.075 0.000 2.081 662 Y HA -0.284 4.266 4.550 -0.000 0.000 0.280 662 Y C 1.970 177.852 175.900 -0.030 0.000 1.163 662 Y CA 1.497 59.569 58.100 -0.047 0.000 1.135 662 Y CB -0.330 38.100 38.460 -0.050 0.000 0.970 662 Y HN 0.028 nan 8.280 nan 0.000 0.498 663 L N -0.060 121.240 121.223 0.128 0.000 2.042 663 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 663 L C 2.566 179.397 176.870 -0.065 0.000 1.076 663 L CA 1.446 56.320 54.840 0.056 0.000 0.749 663 L CB -0.683 41.451 42.059 0.126 0.000 0.893 663 L HN 0.456 nan 8.230 nan 0.000 0.432 664 I N 0.233 120.768 120.570 -0.059 0.000 2.286 664 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 664 I C 2.510 178.557 176.117 -0.118 0.000 1.115 664 I CA 2.324 63.578 61.300 -0.077 0.000 1.392 664 I CB -0.628 37.342 38.000 -0.050 0.000 1.065 664 I HN 0.427 nan 8.210 nan 0.000 0.418 665 T N -1.123 113.333 114.554 -0.163 0.000 2.951 665 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 665 T C 1.541 176.093 174.700 -0.247 0.000 1.073 665 T CA 0.687 62.672 62.100 -0.192 0.000 1.134 665 T CB -0.229 68.527 68.868 -0.185 0.000 0.884 665 T HN 0.332 nan 8.240 nan 0.000 0.479 666 Q N 1.146 120.752 119.800 -0.322 0.000 2.280 666 Q HA 0.262 4.602 4.340 -0.000 0.000 0.201 666 Q C 0.371 176.286 176.000 -0.142 0.000 0.890 666 Q CA -0.018 55.626 55.803 -0.265 0.000 0.947 666 Q CB -0.590 27.930 28.738 -0.364 0.000 1.081 666 Q HN 0.845 nan 8.270 nan 0.000 0.502 667 N N 0.030 118.654 118.700 -0.127 0.000 2.738 667 N HA -0.280 4.460 4.740 -0.000 0.000 0.249 667 N C 0.617 176.113 175.510 -0.022 0.000 1.047 667 N CA 0.277 53.281 53.050 -0.076 0.000 0.707 667 N CB -0.795 37.640 38.487 -0.086 0.000 0.937 667 N HN 0.526 nan 8.380 nan 0.000 0.545 668 G N -1.279 107.507 108.800 -0.024 0.000 2.205 668 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.261 668 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.261 668 G C 0.125 175.060 174.900 0.058 0.000 0.980 668 G CA 0.607 45.717 45.100 0.015 0.000 0.632 668 G HN 0.986 nan 8.290 nan 0.000 0.533 669 S N -0.500 115.233 115.700 0.055 0.000 2.576 669 S HA 0.534 5.004 4.470 -0.000 0.000 0.276 669 S C 1.130 175.821 174.600 0.152 0.000 1.339 669 S CA 0.216 58.474 58.200 0.097 0.000 1.039 669 S CB 0.911 64.156 63.200 0.075 0.000 0.902 669 S HN 0.595 nan 8.310 nan 0.000 0.516 670 I N 3.033 123.707 120.570 0.173 0.000 4.082 670 I HA 0.225 4.395 4.170 -0.000 0.000 0.337 670 I C 1.730 177.955 176.117 0.180 0.000 1.352 670 I CA 0.289 61.710 61.300 0.202 0.000 1.097 670 I CB 0.141 38.253 38.000 0.187 0.000 1.048 670 I HN 0.623 nan 8.210 nan 0.000 0.393 671 Q N -0.035 119.859 119.800 0.157 0.000 2.369 671 Q HA 0.096 4.436 4.340 -0.000 0.000 0.206 671 Q C 1.973 178.045 176.000 0.120 0.000 0.963 671 Q CA 1.131 57.008 55.803 0.123 0.000 0.894 671 Q CB -0.270 28.529 28.738 0.103 0.000 0.965 671 Q HN 0.514 nan 8.270 nan 0.000 0.475 672 G N -0.073 108.829 108.800 0.170 0.000 2.838 672 G HA2 0.137 4.097 3.960 -0.000 0.000 0.210 672 G HA3 0.137 4.097 3.960 -0.000 0.000 0.210 672 G C 0.479 175.455 174.900 0.126 0.000 1.153 672 G CA -0.261 44.945 45.100 0.176 0.000 0.778 672 G HN 0.163 nan 8.290 nan 0.000 0.539 673 L N 1.460 122.723 121.223 0.068 0.000 2.315 673 L HA 0.249 4.589 4.340 -0.000 0.000 0.283 673 L C -1.365 175.494 176.870 -0.017 0.000 1.089 673 L CA -1.589 53.215 54.840 -0.060 0.000 0.833 673 L CB 1.766 43.748 42.059 -0.129 0.000 1.170 673 L HN -0.037 nan 8.230 nan 0.000 0.442 674 P HA -0.054 nan 4.420 nan 0.000 0.220 674 P C 1.098 178.391 177.300 -0.011 0.000 1.154 674 P CA 0.597 63.694 63.100 -0.005 0.000 0.830 674 P CB 0.141 31.838 31.700 -0.004 0.000 0.803 675 N N -0.733 117.947 118.700 -0.032 0.000 2.259 675 N HA -0.190 4.550 4.740 -0.000 0.000 0.173 675 N C -0.269 175.234 175.510 -0.011 0.000 0.764 675 N CA 1.082 54.109 53.050 -0.037 0.000 0.912 675 N CB -0.190 38.245 38.487 -0.085 0.000 1.003 675 N HN -0.039 nan 8.380 nan 0.000 1.021 676 V N 1.033 120.947 119.914 0.001 0.000 2.555 676 V HA 0.360 4.480 4.120 -0.000 0.000 0.302 676 V C -2.151 173.966 176.094 0.038 0.000 1.038 676 V CA -1.431 60.885 62.300 0.027 0.000 0.887 676 V CB 1.721 33.569 31.823 0.042 0.000 0.991 676 V HN 0.102 nan 8.190 nan 0.000 0.434 677 P HA 0.038 nan 4.420 nan 0.000 0.266 677 P C 0.424 177.749 177.300 0.041 0.000 1.195 677 P CA 0.025 63.148 63.100 0.038 0.000 0.768 677 P CB 0.694 32.418 31.700 0.039 0.000 0.838 678 Q N 2.145 121.964 119.800 0.032 0.000 2.133 678 Q HA -0.219 4.121 4.340 -0.000 0.000 0.208 678 Q C 1.738 177.753 176.000 0.024 0.000 0.991 678 Q CA 1.933 57.754 55.803 0.030 0.000 0.867 678 Q CB -0.244 28.507 28.738 0.022 0.000 0.911 678 Q HN 0.565 nan 8.270 nan 0.000 0.417 679 E N -0.049 120.160 120.200 0.016 0.000 2.049 679 E HA -0.204 4.146 4.350 -0.000 0.000 0.198 679 E C 2.103 178.696 176.600 -0.012 0.000 1.007 679 E CA 0.858 57.256 56.400 -0.002 0.000 0.809 679 E CB -0.204 29.496 29.700 0.000 0.000 0.749 679 E HN 0.251 nan 8.360 nan 0.000 0.450 680 L N 1.002 122.241 121.223 0.027 0.000 2.013 680 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 680 L C 2.344 179.272 176.870 0.096 0.000 1.073 680 L CA 1.862 56.745 54.840 0.072 0.000 0.753 680 L CB -0.529 41.620 42.059 0.150 0.000 0.890 680 L HN 0.140 nan 8.230 nan 0.000 0.432 681 K N -0.355 120.101 120.400 0.093 0.000 2.026 681 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 681 K C 1.692 178.333 176.600 0.068 0.000 1.048 681 K CA 1.588 57.938 56.287 0.106 0.000 0.929 681 K CB -0.104 32.446 32.500 0.084 0.000 0.713 681 K HN 0.332 nan 8.250 nan 0.000 0.439 682 D N 0.684 121.096 120.400 0.020 0.000 2.178 682 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 682 D C 1.826 178.099 176.300 -0.046 0.000 0.980 682 D CA 0.870 54.868 54.000 -0.003 0.000 0.842 682 D CB -0.067 40.723 40.800 -0.017 0.000 0.948 682 D HN 0.047 nan 8.370 nan 0.000 0.472 683 L N -0.481 120.655 121.223 -0.145 0.000 2.109 683 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 683 L C 1.245 177.893 176.870 -0.371 0.000 1.086 683 L CA 1.468 56.097 54.840 -0.351 0.000 0.760 683 L CB -0.294 41.380 42.059 -0.641 0.000 0.910 683 L HN 0.031 nan 8.230 nan 0.000 0.437 684 Y N -0.703 119.644 120.300 0.077 0.000 2.607 684 Y HA 0.233 4.783 4.550 0.000 0.000 0.266 684 Y C 0.779 176.722 175.900 0.071 0.000 1.178 684 Y CA -0.792 57.359 58.100 0.085 0.000 1.226 684 Y CB -0.036 38.479 38.460 0.093 0.000 1.144 684 Y HN -0.081 nan 8.280 nan 0.000 0.528 685 K N 0.957 121.448 120.400 0.151 0.000 2.494 685 K HA 0.037 4.357 4.320 -0.000 0.000 0.273 685 K C 0.201 176.838 176.600 0.062 0.000 0.970 685 K CA 0.581 56.928 56.287 0.099 0.000 0.963 685 K CB 0.538 33.072 32.500 0.057 0.000 0.913 685 K HN 0.034 nan 8.250 nan 0.000 0.502 686 T N 0.673 115.245 114.554 0.030 0.000 2.940 686 T HA 0.063 4.413 4.350 -0.000 0.000 0.288 686 T C 1.318 175.884 174.700 -0.224 0.000 1.033 686 T CA -0.654 61.418 62.100 -0.047 0.000 1.033 686 T CB 1.806 70.731 68.868 0.096 0.000 1.079 686 T HN 0.381 nan 8.240 nan 0.000 0.496 687 V N 2.361 121.960 119.914 -0.526 0.000 2.439 687 V HA -0.203 3.917 4.120 -0.000 0.000 0.253 687 V C 1.438 177.181 176.094 -0.585 0.000 1.074 687 V CA 2.057 63.869 62.300 -0.814 0.000 1.076 687 V CB -0.477 30.433 31.823 -1.521 0.000 0.664 687 V HN 0.946 nan 8.190 nan 0.000 0.461 688 W N -0.073 121.140 121.300 -0.145 0.000 2.402 688 W HA -0.054 4.606 4.660 -0.000 0.000 0.286 688 W C 2.322 178.824 176.519 -0.028 0.000 1.221 688 W CA 0.909 58.228 57.345 -0.042 0.000 1.257 688 W CB -0.217 29.233 29.460 -0.018 0.000 1.120 688 W HN 0.243 nan 8.180 nan 0.000 0.551 689 E N 0.012 120.297 120.200 0.142 0.000 2.489 689 E HA 0.111 4.461 4.350 -0.000 0.000 0.193 689 E C 0.248 176.872 176.600 0.039 0.000 1.057 689 E CA 0.105 56.562 56.400 0.095 0.000 0.866 689 E CB 0.130 29.885 29.700 0.093 0.000 0.916 689 E HN 0.209 nan 8.360 nan 0.000 0.500 690 I N 0.970 121.532 120.570 -0.014 0.000 2.377 690 I HA 0.074 4.244 4.170 -0.000 0.000 0.293 690 I C 0.305 176.426 176.117 0.006 0.000 0.987 690 I CA -0.789 60.498 61.300 -0.023 0.000 1.185 690 I CB 1.813 39.746 38.000 -0.111 0.000 1.341 690 I HN -0.097 nan 8.210 nan 0.000 0.455 691 S N 4.638 120.358 115.700 0.033 0.000 2.558 691 S HA -0.021 4.449 4.470 -0.000 0.000 0.293 691 S C 1.027 175.658 174.600 0.051 0.000 1.292 691 S CA -0.149 58.075 58.200 0.040 0.000 1.063 691 S CB 0.702 63.923 63.200 0.034 0.000 0.831 691 S HN 0.549 nan 8.310 nan 0.000 0.499 692 Q N 2.997 122.831 119.800 0.056 0.000 2.378 692 Q HA -0.033 4.307 4.340 -0.000 0.000 0.205 692 Q C 1.948 178.006 176.000 0.097 0.000 0.954 692 Q CA 0.793 56.648 55.803 0.087 0.000 0.901 692 Q CB -0.245 28.552 28.738 0.097 0.000 0.981 692 Q HN 0.815 nan 8.270 nan 0.000 0.483 693 K N 0.561 120.975 120.400 0.024 0.000 2.217 693 K HA -0.047 4.273 4.320 -0.000 0.000 0.202 693 K C 1.467 178.153 176.600 0.143 0.000 1.051 693 K CA 1.103 57.373 56.287 -0.029 0.000 0.952 693 K CB 0.050 32.382 32.500 -0.280 0.000 0.736 693 K HN -0.004 nan 8.250 nan 0.000 0.453 694 T N 2.302 116.928 114.554 0.121 0.000 2.770 694 T HA -0.001 4.349 4.350 -0.000 0.000 0.263 694 T C 1.933 176.760 174.700 0.212 0.000 1.039 694 T CA 0.947 63.142 62.100 0.158 0.000 1.142 694 T CB 0.014 68.963 68.868 0.135 0.000 0.868 694 T HN 0.087 nan 8.240 nan 0.000 0.435 695 I N 1.200 121.898 120.570 0.213 0.000 2.163 695 I HA -0.148 4.022 4.170 -0.000 0.000 0.243 695 I C 2.310 178.583 176.117 0.260 0.000 1.085 695 I CA 1.626 63.080 61.300 0.256 0.000 1.347 695 I CB -1.052 37.067 38.000 0.199 0.000 1.044 695 I HN 0.292 nan 8.210 nan 0.000 0.408 696 I N 0.760 121.485 120.570 0.259 0.000 2.315 696 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 696 I C 2.285 178.531 176.117 0.215 0.000 1.117 696 I CA 0.993 62.452 61.300 0.265 0.000 1.404 696 I CB -0.505 37.713 38.000 0.362 0.000 1.071 696 I HN 0.254 nan 8.210 nan 0.000 0.419 697 N N 0.989 119.832 118.700 0.238 0.000 2.036 697 N HA -0.201 4.539 4.740 -0.000 0.000 0.195 697 N C 1.904 177.467 175.510 0.088 0.000 1.037 697 N CA 1.699 54.842 53.050 0.154 0.000 0.855 697 N CB -0.383 38.203 38.487 0.166 0.000 1.033 697 N HN 0.332 nan 8.380 nan 0.000 0.423 698 M N 0.358 120.029 119.600 0.119 0.000 2.149 698 M HA -0.102 4.378 4.480 -0.000 0.000 0.261 698 M C 2.190 178.507 176.300 0.028 0.000 1.064 698 M CA 1.421 56.771 55.300 0.083 0.000 1.102 698 M CB -0.264 32.435 32.600 0.166 0.000 1.369 698 M HN 0.157 nan 8.290 nan 0.000 0.408 699 A N 0.574 123.459 122.820 0.108 0.000 1.855 699 A HA -0.020 4.300 4.320 -0.000 0.000 0.215 699 A C 2.410 179.998 177.584 0.007 0.000 1.191 699 A CA 1.843 53.959 52.037 0.132 0.000 0.613 699 A CB -1.021 18.110 19.000 0.219 0.000 0.829 699 A HN 0.479 nan 8.150 nan 0.000 0.442 700 A N -0.165 122.658 122.820 0.005 0.000 1.978 700 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 700 A C 1.730 179.154 177.584 -0.266 0.000 1.170 700 A CA 2.014 54.000 52.037 -0.085 0.000 0.636 700 A CB -0.555 18.433 19.000 -0.020 0.000 0.810 700 A HN 0.502 nan 8.150 nan 0.000 0.448 701 D N -0.246 120.035 120.400 -0.198 0.000 2.075 701 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 701 D C 2.261 178.352 176.300 -0.349 0.000 0.985 701 D CA 1.754 55.615 54.000 -0.231 0.000 0.834 701 D CB -0.466 40.270 40.800 -0.107 0.000 0.987 701 D HN 0.723 nan 8.370 nan 0.000 0.452 702 R N 0.809 121.102 120.500 -0.345 0.000 2.152 702 R HA 0.009 4.349 4.340 -0.000 0.000 0.232 702 R C 1.985 177.916 176.300 -0.614 0.000 1.117 702 R CA 1.277 57.104 56.100 -0.455 0.000 0.981 702 R CB -0.520 29.201 30.300 -0.964 0.000 0.870 702 R HN -0.113 nan 8.270 nan 0.000 0.451 703 S N 1.156 116.462 115.700 -0.656 0.000 2.420 703 S HA -0.127 4.343 4.470 -0.000 0.000 0.237 703 S C 2.034 176.028 174.600 -1.010 0.000 1.023 703 S CA 1.469 59.258 58.200 -0.685 0.000 0.991 703 S CB -0.263 62.577 63.200 -0.599 0.000 0.792 703 S HN 0.486 nan 8.310 nan 0.000 0.488 704 V N -1.436 117.684 119.914 -1.324 0.000 2.913 704 V HA -0.032 4.088 4.120 -0.000 0.000 0.260 704 V C 1.129 176.695 176.094 -0.880 0.000 1.098 704 V CA 1.180 62.653 62.300 -1.380 0.000 1.121 704 V CB -1.228 29.885 31.823 -1.184 0.000 0.714 704 V HN 0.609 nan 8.190 nan 0.000 0.487 705 Y N 0.133 120.200 120.300 -0.388 0.000 2.524 705 Y HA 0.563 5.113 4.550 -0.000 0.000 0.266 705 Y C 0.765 176.301 175.900 -0.606 0.000 1.180 705 Y CA -0.603 57.265 58.100 -0.388 0.000 1.244 705 Y CB 0.173 38.658 38.460 0.041 0.000 1.125 705 Y HN 0.199 nan 8.280 nan 0.000 0.524 706 I N 0.645 120.967 120.570 -0.414 0.000 2.354 706 I HA 0.110 4.280 4.170 -0.000 0.000 0.286 706 I C 0.330 176.322 176.117 -0.207 0.000 1.007 706 I CA -0.403 60.729 61.300 -0.279 0.000 1.167 706 I CB 1.355 39.218 38.000 -0.228 0.000 1.320 706 I HN 0.120 nan 8.210 nan 0.000 0.458 707 D N 3.881 124.174 120.400 -0.179 0.000 2.116 707 D HA -0.175 4.465 4.640 -0.000 0.000 0.193 707 D C 1.333 177.639 176.300 0.011 0.000 0.998 707 D CA 1.911 55.887 54.000 -0.040 0.000 0.836 707 D CB 0.391 41.217 40.800 0.043 0.000 0.951 707 D HN 0.623 nan 8.370 nan 0.000 0.449 708 Q N -0.730 119.079 119.800 0.015 0.000 3.081 708 Q HA 0.353 4.693 4.340 -0.000 0.000 0.219 708 Q C 0.409 176.445 176.000 0.060 0.000 1.169 708 Q CA -0.314 55.509 55.803 0.033 0.000 0.309 708 Q CB 0.644 29.397 28.738 0.025 0.000 5.821 708 Q HN 0.015 nan 8.270 nan 0.000 0.320 709 S N -1.070 114.669 115.700 0.065 0.000 2.688 709 S HA 0.448 4.918 4.470 -0.000 0.000 0.275 709 S C -1.953 172.726 174.600 0.131 0.000 1.175 709 S CA -0.741 57.523 58.200 0.107 0.000 0.818 709 S CB 1.217 64.460 63.200 0.073 0.000 1.157 709 S HN 0.608 nan 8.310 nan 0.000 0.482 710 H N -1.204 117.820 119.070 -0.076 0.000 2.928 710 H HA 0.681 5.237 4.556 -0.000 0.000 0.371 710 H C -0.922 174.426 175.328 0.032 0.000 1.186 710 H CA -0.984 55.011 56.048 -0.088 0.000 1.134 710 H CB 1.370 30.916 29.762 -0.360 0.000 1.824 710 H HN 0.296 nan 8.280 nan 0.000 0.554 711 S N 2.109 117.947 115.700 0.229 0.000 4.139 711 S HA 0.064 4.534 4.470 -0.000 0.000 0.215 711 S C 0.088 174.866 174.600 0.297 0.000 1.390 711 S CA -0.561 57.656 58.200 0.028 0.000 0.885 711 S CB -0.633 62.505 63.200 -0.104 0.000 1.560 711 S HN 0.428 nan 8.310 nan 0.000 0.449 712 L N 3.779 125.103 121.223 0.168 0.000 2.454 712 L HA 0.183 4.523 4.340 -0.000 0.000 0.284 712 L C 0.123 177.117 176.870 0.205 0.000 1.139 712 L CA -0.077 54.911 54.840 0.247 0.000 0.911 712 L CB -0.316 41.764 42.059 0.034 0.000 1.262 712 L HN 0.480 nan 8.230 nan 0.000 0.453 713 N N 3.296 122.107 118.700 0.185 0.000 2.482 713 N HA 0.311 5.051 4.740 -0.000 0.000 0.260 713 N C -0.907 174.555 175.510 -0.079 0.000 1.236 713 N CA -0.576 52.441 53.050 -0.056 0.000 0.938 713 N CB 0.949 39.262 38.487 -0.290 0.000 1.128 713 N HN 0.290 nan 8.380 nan 0.000 0.448 714 L N 2.052 123.122 121.223 -0.255 0.000 2.362 714 L HA 0.555 4.895 4.340 -0.000 0.000 0.271 714 L C -1.162 175.478 176.870 -0.384 0.000 1.002 714 L CA -0.610 54.160 54.840 -0.115 0.000 0.818 714 L CB 1.058 43.121 42.059 0.007 0.000 1.298 714 L HN 0.450 nan 8.230 nan 0.000 0.420 715 F N 3.413 123.322 119.950 -0.068 0.000 2.529 715 F HA 0.681 5.208 4.527 -0.000 0.000 0.320 715 F C -0.305 175.559 175.800 0.107 0.000 1.118 715 F CA -0.650 57.290 58.000 -0.099 0.000 0.915 715 F CB 1.513 40.164 39.000 -0.581 0.000 1.161 715 F HN 0.063 nan 8.300 nan 0.000 0.445 716 L N 3.592 125.105 121.223 0.483 0.000 2.410 716 L HA 0.515 4.855 4.340 -0.000 0.000 0.270 716 L C 0.871 177.988 176.870 0.412 0.000 0.983 716 L CA -0.745 54.319 54.840 0.374 0.000 0.822 716 L CB 2.550 44.723 42.059 0.190 0.000 1.285 716 L HN 0.697 nan 8.230 nan 0.000 0.409 717 R N 1.952 122.634 120.500 0.303 0.000 2.082 717 R HA 0.201 4.541 4.340 -0.000 0.000 0.218 717 R C 0.479 176.785 176.300 0.011 0.000 1.171 717 R CA 0.998 57.147 56.100 0.082 0.000 0.914 717 R CB 0.034 30.366 30.300 0.054 0.000 0.806 717 R HN 0.663 nan 8.270 nan 0.000 0.453 718 A N 3.036 125.870 122.820 0.025 0.000 2.621 718 A HA 0.359 4.679 4.320 -0.000 0.000 0.329 718 A C -2.328 175.275 177.584 0.033 0.000 1.458 718 A CA -1.568 50.474 52.037 0.008 0.000 1.052 718 A CB 0.378 19.380 19.000 0.003 0.000 1.142 718 A HN 0.169 nan 8.150 nan 0.000 0.523 719 P HA 0.272 nan 4.420 nan 0.000 0.271 719 P C -0.036 177.290 177.300 0.045 0.000 1.220 719 P CA 0.369 63.498 63.100 0.047 0.000 0.768 719 P CB 0.992 32.715 31.700 0.039 0.000 0.848 720 T N -0.009 114.579 114.554 0.056 0.000 2.886 720 T HA 0.566 4.916 4.350 -0.000 0.000 0.292 720 T C 0.038 174.788 174.700 0.084 0.000 1.012 720 T CA -1.126 61.015 62.100 0.068 0.000 0.982 720 T CB 0.478 69.387 68.868 0.069 0.000 1.018 720 T HN -0.027 nan 8.240 nan 0.000 0.451 721 M N 3.284 122.946 119.600 0.104 0.000 2.286 721 M HA 0.364 4.844 4.480 -0.000 0.000 0.365 721 M C 1.482 177.881 176.300 0.165 0.000 1.443 721 M CA 1.986 57.377 55.300 0.151 0.000 0.951 721 M CB -0.852 31.891 32.600 0.238 0.000 1.961 721 M HN 1.307 nan 8.290 nan 0.000 0.468 722 G N 2.986 111.895 108.800 0.181 0.000 2.882 722 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.198 722 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.198 722 G C 0.934 175.907 174.900 0.121 0.000 1.977 722 G CA 0.011 45.197 45.100 0.143 0.000 1.541 722 G HN 0.653 nan 8.290 nan 0.000 0.567 723 K N 1.529 121.985 120.400 0.093 0.000 2.097 723 K HA 0.238 4.558 4.320 -0.000 0.000 0.205 723 K C 2.367 179.014 176.600 0.079 0.000 1.050 723 K CA 1.291 57.625 56.287 0.077 0.000 0.938 723 K CB -0.062 32.474 32.500 0.060 0.000 0.718 723 K HN 0.439 nan 8.250 nan 0.000 0.442 724 L N 2.106 123.373 121.223 0.074 0.000 2.046 724 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 724 L C 1.930 178.854 176.870 0.090 0.000 1.077 724 L CA 1.939 56.791 54.840 0.020 0.000 0.747 724 L CB -0.783 41.283 42.059 0.013 0.000 0.896 724 L HN 0.296 nan 8.230 nan 0.000 0.432 725 T N -0.302 114.418 114.554 0.278 0.000 2.708 725 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 725 T C 1.978 176.966 174.700 0.481 0.000 1.037 725 T CA 1.778 64.196 62.100 0.530 0.000 1.146 725 T CB -0.229 68.918 68.868 0.465 0.000 0.865 725 T HN 0.621 nan 8.240 nan 0.000 0.435 726 S N 0.933 116.806 115.700 0.289 0.000 2.453 726 S HA 0.065 4.535 4.470 -0.000 0.000 0.231 726 S C 2.106 176.881 174.600 0.292 0.000 1.005 726 S CA 0.523 58.884 58.200 0.269 0.000 0.949 726 S CB -0.515 62.767 63.200 0.136 0.000 0.774 726 S HN 0.324 nan 8.310 nan 0.000 0.510 727 M N 1.036 120.756 119.600 0.200 0.000 2.067 727 M HA -0.121 4.359 4.480 -0.000 0.000 0.260 727 M C 2.408 178.884 176.300 0.293 0.000 1.069 727 M CA 1.764 57.167 55.300 0.172 0.000 1.117 727 M CB -0.492 32.120 32.600 0.020 0.000 1.334 727 M HN 0.377 nan 8.290 nan 0.000 0.407 728 H N -0.879 118.419 119.070 0.380 0.000 2.290 728 H HA -0.137 4.419 4.556 -0.000 0.000 0.298 728 H C 1.975 177.507 175.328 0.340 0.000 1.087 728 H CA 1.743 58.022 56.048 0.384 0.000 1.291 728 H CB -0.822 29.220 29.762 0.467 0.000 1.369 728 H HN 0.346 nan 8.280 nan 0.000 0.492 729 F N -0.257 119.969 119.950 0.460 0.000 2.269 729 F HA -0.206 4.321 4.527 -0.000 0.000 0.301 729 F C 2.533 178.556 175.800 0.372 0.000 1.082 729 F CA 0.895 59.117 58.000 0.370 0.000 1.360 729 F CB -0.328 38.812 39.000 0.233 0.000 1.041 729 F HN 0.100 nan 8.300 nan 0.000 0.512 730 Y N 0.358 120.871 120.300 0.355 0.000 2.130 730 Y HA -0.027 4.523 4.550 -0.000 0.000 0.287 730 Y C 2.536 178.546 175.900 0.182 0.000 1.124 730 Y CA 1.470 59.707 58.100 0.228 0.000 1.118 730 Y CB -1.051 37.521 38.460 0.188 0.000 0.994 730 Y HN -0.021 nan 8.280 nan 0.000 0.497 731 G N -0.522 108.446 108.800 0.280 0.000 2.476 731 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.218 731 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.218 731 G C 1.489 176.441 174.900 0.087 0.000 1.164 731 G CA 1.029 46.245 45.100 0.193 0.000 0.768 731 G HN 0.659 nan 8.290 nan 0.000 0.560 732 W N 1.519 122.730 121.300 -0.148 0.000 2.335 732 W HA -0.053 4.607 4.660 -0.000 0.000 0.311 732 W C 2.563 178.846 176.519 -0.393 0.000 1.213 732 W CA 1.824 58.803 57.345 -0.609 0.000 1.274 732 W CB -0.149 28.786 29.460 -0.874 0.000 1.148 732 W HN 0.166 nan 8.180 nan 0.000 0.498 733 K N -0.093 120.087 120.400 -0.367 0.000 2.217 733 K HA -0.098 4.222 4.320 -0.000 0.000 0.202 733 K C 1.794 178.144 176.600 -0.416 0.000 1.051 733 K CA 1.249 57.222 56.287 -0.524 0.000 0.952 733 K CB -0.202 32.153 32.500 -0.242 0.000 0.736 733 K HN 0.112 nan 8.250 nan 0.000 0.453 734 K N -0.148 120.058 120.400 -0.324 0.000 2.525 734 K HA 0.025 4.345 4.320 -0.000 0.000 0.192 734 K C 0.736 177.272 176.600 -0.106 0.000 1.029 734 K CA 0.689 56.848 56.287 -0.212 0.000 1.029 734 K CB 0.384 32.761 32.500 -0.205 0.000 0.814 734 K HN 0.323 nan 8.250 nan 0.000 0.503 735 G N 2.120 110.756 108.800 -0.274 0.000 2.176 735 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 735 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 735 G C 0.169 174.945 174.900 -0.207 0.000 1.024 735 G CA -0.156 44.725 45.100 -0.366 0.000 0.755 735 G HN 0.188 nan 8.290 nan 0.000 0.507 736 L N -1.095 120.158 121.223 0.050 0.000 2.492 736 L HA 0.176 4.516 4.340 -0.000 0.000 0.280 736 L C 1.886 178.878 176.870 0.203 0.000 1.240 736 L CA 0.562 55.541 54.840 0.231 0.000 0.831 736 L CB 0.291 42.494 42.059 0.239 0.000 1.100 736 L HN 0.206 nan 8.230 nan 0.000 0.505 737 K N 0.187 120.709 120.400 0.202 0.000 2.157 737 K HA 0.084 4.404 4.320 -0.000 0.000 0.207 737 K C 0.363 177.034 176.600 0.118 0.000 1.030 737 K CA 0.496 56.863 56.287 0.133 0.000 0.965 737 K CB 0.093 32.651 32.500 0.098 0.000 0.877 737 K HN 0.519 nan 8.250 nan 0.000 0.460 738 T N 1.312 115.906 114.554 0.066 0.000 2.739 738 T HA 0.123 4.473 4.350 -0.000 0.000 0.298 738 T C 0.969 175.705 174.700 0.061 0.000 0.929 738 T CA -0.297 61.809 62.100 0.011 0.000 1.014 738 T CB 1.223 70.052 68.868 -0.064 0.000 0.914 738 T HN 0.392 nan 8.240 nan 0.000 0.509 739 G N 3.282 112.123 108.800 0.068 0.000 2.394 739 G HA2 0.074 4.034 3.960 -0.000 0.000 0.215 739 G HA3 0.074 4.034 3.960 -0.000 0.000 0.215 739 G C 0.352 175.366 174.900 0.190 0.000 1.165 739 G CA 0.365 45.606 45.100 0.235 0.000 0.784 739 G HN 0.591 nan 8.290 nan 0.000 0.535 740 M N -1.360 118.305 119.600 0.107 0.000 2.325 740 M HA 0.371 4.851 4.480 -0.000 0.000 0.285 740 M C -0.854 175.498 176.300 0.085 0.000 1.119 740 M CA -0.819 54.558 55.300 0.129 0.000 0.959 740 M CB 1.663 34.394 32.600 0.218 0.000 1.737 740 M HN 0.243 nan 8.290 nan 0.000 0.486 741 Y N 3.408 123.608 120.300 -0.167 0.000 3.379 741 Y HA 0.229 4.779 4.550 -0.000 0.000 0.233 741 Y C -0.569 175.103 175.900 -0.380 0.000 0.858 741 Y CA -0.290 57.525 58.100 -0.475 0.000 0.983 741 Y CB 0.257 38.487 38.460 -0.384 0.000 1.160 741 Y HN 0.601 nan 8.280 nan 0.000 0.500 742 Y N 1.569 121.486 120.300 -0.638 0.000 2.326 742 Y HA 0.178 4.728 4.550 0.000 0.000 0.333 742 Y C 0.014 175.769 175.900 -0.241 0.000 1.240 742 Y CA -0.284 57.606 58.100 -0.349 0.000 1.365 742 Y CB 0.632 38.782 38.460 -0.517 0.000 1.289 742 Y HN 0.198 nan 8.280 nan 0.000 0.548 743 L N 5.285 126.543 121.223 0.058 0.000 2.257 743 L HA 0.416 4.756 4.340 -0.000 0.000 0.290 743 L C -0.719 176.107 176.870 -0.072 0.000 1.044 743 L CA -0.550 54.268 54.840 -0.036 0.000 0.810 743 L CB 0.155 42.224 42.059 0.016 0.000 1.193 743 L HN 0.682 nan 8.230 nan 0.000 0.425 744 R N 3.323 123.700 120.500 -0.206 0.000 2.295 744 R HA 0.428 4.768 4.340 -0.000 0.000 0.324 744 R C -0.375 176.067 176.300 0.238 0.000 0.968 744 R CA -0.567 55.492 56.100 -0.068 0.000 0.837 744 R CB 1.503 31.649 30.300 -0.257 0.000 1.133 744 R HN 0.590 nan 8.270 nan 0.000 0.450 745 T N -0.488 114.203 114.554 0.229 0.000 2.932 745 T HA 0.384 4.734 4.350 -0.000 0.000 0.289 745 T C -0.368 174.336 174.700 0.007 0.000 1.039 745 T CA -0.925 61.286 62.100 0.186 0.000 1.024 745 T CB 2.500 71.409 68.868 0.068 0.000 1.090 745 T HN 0.566 nan 8.240 nan 0.000 0.496 746 Q N 0.965 120.642 119.800 -0.206 0.000 2.275 746 Q HA 0.543 4.883 4.340 -0.000 0.000 0.258 746 Q C -0.794 175.027 176.000 -0.299 0.000 0.960 746 Q CA -0.857 54.678 55.803 -0.446 0.000 0.801 746 Q CB 1.818 29.856 28.738 -1.166 0.000 1.302 746 Q HN 1.142 nan 8.270 nan 0.000 0.433 747 A N 2.441 125.139 122.820 -0.204 0.000 2.555 747 A HA 0.331 4.651 4.320 -0.000 0.000 0.233 747 A C 1.192 178.670 177.584 -0.177 0.000 1.060 747 A CA 0.892 52.841 52.037 -0.148 0.000 0.759 747 A CB 0.270 19.200 19.000 -0.116 0.000 0.995 747 A HN 1.012 nan 8.150 nan 0.000 0.506 748 A N 1.694 124.440 122.820 -0.125 0.000 2.024 748 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 748 A C 2.320 179.826 177.584 -0.129 0.000 1.164 748 A CA 2.300 54.266 52.037 -0.118 0.000 0.643 748 A CB -0.881 18.077 19.000 -0.071 0.000 0.806 748 A HN 1.741 nan 8.150 nan 0.000 0.451 749 S N -0.616 115.010 115.700 -0.123 0.000 2.489 749 S HA 0.276 4.746 4.470 -0.000 0.000 0.228 749 S C 1.849 176.346 174.600 -0.173 0.000 0.995 749 S CA 0.867 58.990 58.200 -0.128 0.000 0.934 749 S CB -0.285 62.854 63.200 -0.102 0.000 0.771 749 S HN 0.781 nan 8.310 nan 0.000 0.522 750 A N 1.594 124.299 122.820 -0.191 0.000 2.016 750 A HA 0.543 4.863 4.320 -0.000 0.000 0.217 750 A C 2.352 179.798 177.584 -0.230 0.000 1.162 750 A CA 0.987 52.895 52.037 -0.215 0.000 0.662 750 A CB -1.117 17.747 19.000 -0.226 0.000 0.812 750 A HN 0.801 nan 8.150 nan 0.000 0.450 751 A N -0.716 121.965 122.820 -0.233 0.000 2.178 751 A HA 0.229 4.549 4.320 -0.000 0.000 0.218 751 A C 0.796 178.275 177.584 -0.174 0.000 1.157 751 A CA 0.684 52.594 52.037 -0.212 0.000 0.689 751 A CB -0.409 18.478 19.000 -0.189 0.000 0.787 751 A HN 0.460 nan 8.150 nan 0.000 0.465 752 I N -1.414 119.044 120.570 -0.187 0.000 2.569 752 I HA 0.466 4.636 4.170 -0.000 0.000 0.296 752 I C -0.310 175.650 176.117 -0.260 0.000 1.028 752 I CA -0.487 60.698 61.300 -0.192 0.000 1.082 752 I CB 2.151 40.057 38.000 -0.156 0.000 1.264 752 I HN 0.125 nan 8.210 nan 0.000 0.429 753 Q N 3.320 122.967 119.800 -0.254 0.000 2.456 753 Q HA 0.573 4.913 4.340 -0.000 0.000 0.283 753 Q C -1.378 174.481 176.000 -0.234 0.000 1.084 753 Q CA -0.679 54.920 55.803 -0.340 0.000 0.801 753 Q CB 2.716 31.317 28.738 -0.229 0.000 1.434 753 Q HN 0.391 nan 8.270 nan 0.000 0.419 754 F N 0.125 120.040 119.950 -0.058 0.000 2.459 754 F HA 0.363 4.890 4.527 -0.000 0.000 0.346 754 F C 0.889 176.657 175.800 -0.052 0.000 1.128 754 F CA 0.087 58.057 58.000 -0.050 0.000 1.268 754 F CB 1.095 40.072 39.000 -0.039 0.000 1.161 754 F HN 0.265 nan 8.300 nan 0.000 0.583 755 T N 1.926 116.577 114.554 0.162 0.000 2.901 755 T HA 0.374 4.724 4.350 -0.000 0.000 0.293 755 T C 0.851 175.578 174.700 0.045 0.000 1.084 755 T CA -0.792 61.350 62.100 0.070 0.000 1.008 755 T CB 1.130 70.010 68.868 0.019 0.000 1.170 755 T HN 0.484 nan 8.240 nan 0.000 0.509 756 I N 0.208 120.789 120.570 0.018 0.000 2.567 756 I HA 0.282 4.452 4.170 -0.000 0.000 0.257 756 I C 0.610 176.721 176.117 -0.011 0.000 1.184 756 I CA 1.101 62.400 61.300 -0.002 0.000 1.451 756 I CB -0.073 37.923 38.000 -0.006 0.000 1.089 756 I HN 0.367 nan 8.210 nan 0.000 0.441 757 D N 0.686 121.082 120.400 -0.007 0.000 2.346 757 D HA 0.098 4.738 4.640 -0.000 0.000 0.255 757 D C 0.567 176.866 176.300 -0.002 0.000 1.276 757 D CA -0.235 53.759 54.000 -0.010 0.000 0.941 757 D CB 0.843 41.635 40.800 -0.015 0.000 1.199 757 D HN 0.062 nan 8.370 nan 0.000 0.537 758 Q N 1.567 121.369 119.800 0.003 0.000 2.364 758 Q HA -0.049 4.291 4.340 -0.000 0.000 0.207 758 Q C 1.005 177.016 176.000 0.018 0.000 0.970 758 Q CA 0.965 56.777 55.803 0.014 0.000 0.888 758 Q CB 0.460 29.209 28.738 0.018 0.000 0.951 758 Q HN 0.489 nan 8.270 nan 0.000 0.469 759 K N -0.629 119.776 120.400 0.009 0.000 2.284 759 K HA 0.141 4.461 4.320 -0.000 0.000 0.198 759 K C 2.058 178.662 176.600 0.007 0.000 1.048 759 K CA -0.024 56.270 56.287 0.010 0.000 0.987 759 K CB 0.320 32.822 32.500 0.004 0.000 0.800 759 K HN 0.094 nan 8.250 nan 0.000 0.486 760 I N 1.421 121.989 120.570 -0.002 0.000 2.163 760 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 760 I C 2.356 178.473 176.117 -0.001 0.000 1.085 760 I CA 1.393 62.686 61.300 -0.013 0.000 1.347 760 I CB -0.327 37.658 38.000 -0.025 0.000 1.044 760 I HN 0.135 nan 8.210 nan 0.000 0.408 761 A N -0.084 122.747 122.820 0.019 0.000 2.076 761 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 761 A C 1.806 179.475 177.584 0.142 0.000 1.160 761 A CA 2.084 54.164 52.037 0.071 0.000 0.653 761 A CB -0.515 18.518 19.000 0.055 0.000 0.801 761 A HN 0.377 nan 8.150 nan 0.000 0.455 762 D N -0.718 119.734 120.400 0.087 0.000 2.149 762 D HA -0.054 4.586 4.640 -0.000 0.000 0.206 762 D C 2.086 178.404 176.300 0.031 0.000 0.967 762 D CA 0.975 55.030 54.000 0.091 0.000 0.848 762 D CB -0.432 40.403 40.800 0.057 0.000 0.998 762 D HN 0.523 nan 8.370 nan 0.000 0.474 763 Q N 0.290 120.092 119.800 0.004 0.000 2.325 763 Q HA -0.167 4.173 4.340 -0.000 0.000 0.211 763 Q C 1.949 177.915 176.000 -0.057 0.000 0.988 763 Q CA 1.183 56.971 55.803 -0.024 0.000 0.887 763 Q CB -0.125 28.598 28.738 -0.026 0.000 0.915 763 Q HN 0.223 nan 8.270 nan 0.000 0.440 764 A N 0.730 123.506 122.820 -0.073 0.000 1.972 764 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 764 A C 2.246 179.706 177.584 -0.207 0.000 1.169 764 A CA 1.798 53.748 52.037 -0.145 0.000 0.635 764 A CB -0.882 18.024 19.000 -0.156 0.000 0.810 764 A HN 0.542 nan 8.150 nan 0.000 0.446 765 T N -2.553 111.871 114.554 -0.217 0.000 3.051 765 T HA -0.012 4.338 4.350 -0.000 0.000 0.269 765 T C 1.265 175.901 174.700 -0.107 0.000 1.127 765 T CA 1.348 63.327 62.100 -0.202 0.000 1.107 765 T CB -0.170 68.606 68.868 -0.153 0.000 0.898 765 T HN 0.622 nan 8.240 nan 0.000 0.517 766 E N 0.854 121.006 120.200 -0.080 0.000 2.474 766 E HA 0.128 4.478 4.350 -0.000 0.000 0.194 766 E C 0.081 176.653 176.600 -0.046 0.000 1.041 766 E CA -0.332 56.038 56.400 -0.050 0.000 0.874 766 E CB 0.099 29.778 29.700 -0.035 0.000 0.914 766 E HN 0.672 nan 8.360 nan 0.000 0.498 767 N N 1.360 120.023 118.700 -0.060 0.000 2.454 767 N HA 0.012 4.752 4.740 -0.000 0.000 0.260 767 N C -0.424 175.070 175.510 -0.028 0.000 1.218 767 N CA -0.214 52.809 53.050 -0.045 0.000 0.904 767 N CB 1.110 39.561 38.487 -0.059 0.000 1.065 767 N HN -0.127 nan 8.380 nan 0.000 0.462 768 V N 0.246 120.153 119.914 -0.011 0.000 2.370 768 V HA 0.647 4.767 4.120 -0.000 0.000 0.279 768 V C 0.390 176.491 176.094 0.012 0.000 1.029 768 V CA -1.116 61.184 62.300 -0.001 0.000 0.870 768 V CB 0.923 32.747 31.823 0.003 0.000 0.984 768 V HN 0.621 nan 8.190 nan 0.000 0.451 769 A N 3.080 125.910 122.820 0.016 0.000 2.327 769 A HA 0.456 4.776 4.320 -0.000 0.000 0.283 769 A C 0.655 178.259 177.584 0.033 0.000 1.127 769 A CA -0.346 51.710 52.037 0.031 0.000 0.810 769 A CB 0.684 19.705 19.000 0.034 0.000 1.066 769 A HN 0.939 nan 8.150 nan 0.000 0.492 770 D N 0.053 120.478 120.400 0.042 0.000 1.685 770 D HA 0.096 4.736 4.640 -0.000 0.000 0.313 770 D C 1.204 177.527 176.300 0.039 0.000 1.065 770 D CA 1.620 55.644 54.000 0.040 0.000 0.879 770 D CB 0.032 40.859 40.800 0.046 0.000 1.370 770 D HN 0.611 nan 8.370 nan 0.000 0.483 771 I N -2.008 118.588 120.570 0.044 0.000 4.930 771 I HA -0.294 3.876 4.170 -0.000 0.000 0.238 771 I C 1.432 177.573 176.117 0.040 0.000 0.516 771 I CA 0.781 62.107 61.300 0.043 0.000 1.558 771 I CB -1.104 36.918 38.000 0.036 0.000 3.359 771 I HN 0.214 nan 8.210 nan 0.000 1.060 772 S N 1.447 117.168 115.700 0.036 0.000 2.584 772 S HA -0.043 4.427 4.470 -0.000 0.000 0.240 772 S C 1.104 175.727 174.600 0.039 0.000 0.975 772 S CA 1.579 59.799 58.200 0.034 0.000 0.949 772 S CB -0.290 62.928 63.200 0.029 0.000 0.761 772 S HN 0.586 nan 8.310 nan 0.000 0.536 773 N N -0.030 118.697 118.700 0.045 0.000 2.166 773 N HA 0.185 4.925 4.740 -0.000 0.000 0.213 773 N C -0.533 175.011 175.510 0.057 0.000 1.222 773 N CA -0.049 53.031 53.050 0.051 0.000 0.900 773 N CB 0.548 39.068 38.487 0.054 0.000 1.055 773 N HN 0.451 nan 8.380 nan 0.000 0.515 774 L N 1.977 123.234 121.223 0.057 0.000 2.297 774 L HA 0.447 4.787 4.340 -0.000 0.000 0.277 774 L C -0.968 175.937 176.870 0.057 0.000 1.040 774 L CA -0.165 54.713 54.840 0.063 0.000 0.867 774 L CB 0.410 42.511 42.059 0.070 0.000 1.244 774 L HN -0.297 nan 8.230 nan 0.000 0.433 775 K N 3.383 123.817 120.400 0.056 0.000 2.328 775 K HA 0.732 5.052 4.320 -0.000 0.000 0.246 775 K C -1.061 175.574 176.600 0.058 0.000 0.955 775 K CA -0.974 55.346 56.287 0.054 0.000 0.817 775 K CB 2.141 34.669 32.500 0.046 0.000 1.208 775 K HN 0.344 nan 8.250 nan 0.000 0.432 776 R N 1.123 121.657 120.500 0.057 0.000 2.536 776 R HA 0.392 4.732 4.340 -0.000 0.000 0.269 776 R C -2.693 173.642 176.300 0.058 0.000 1.113 776 R CA -2.080 54.056 56.100 0.061 0.000 0.948 776 R CB 1.239 31.577 30.300 0.063 0.000 1.237 776 R HN 0.364 nan 8.270 nan 0.000 0.441 777 P HA -0.013 nan 4.420 nan 0.000 0.270 777 P C -0.670 176.678 177.300 0.080 0.000 1.216 777 P CA 0.041 63.183 63.100 0.071 0.000 0.788 777 P CB 0.590 32.339 31.700 0.082 0.000 0.883 778 S N 1.027 116.778 115.700 0.085 0.000 2.503 778 S HA 0.437 4.907 4.470 -0.000 0.000 0.301 778 S C -1.432 173.252 174.600 0.140 0.000 1.087 778 S CA -0.698 57.560 58.200 0.097 0.000 1.042 778 S CB 0.236 63.473 63.200 0.061 0.000 1.043 778 S HN 0.318 nan 8.310 nan 0.000 0.489 779 Y N 5.198 125.519 120.300 0.034 0.000 2.336 779 Y HA 0.486 5.036 4.550 -0.000 0.000 0.335 779 Y C -0.020 175.922 175.900 0.071 0.000 1.046 779 Y CA -0.453 57.678 58.100 0.053 0.000 1.198 779 Y CB 0.671 39.156 38.460 0.041 0.000 1.182 779 Y HN 0.635 nan 8.280 nan 0.000 0.502 780 M N 9.961 129.239 119.600 -0.536 0.000 2.094 780 M HA 0.256 4.736 4.480 -0.000 0.000 0.348 780 M C -2.228 173.547 176.300 -0.876 0.000 1.267 780 M CA -1.602 53.419 55.300 -0.465 0.000 1.125 780 M CB 0.590 33.104 32.600 -0.143 0.000 1.527 780 M HN 0.507 nan 8.290 nan 0.000 0.447 781 P HA 0.062 nan 4.420 nan 0.000 0.269 781 P C -0.777 176.544 177.300 0.035 0.000 1.217 781 P CA 0.097 63.044 63.100 -0.254 0.000 0.783 781 P CB 0.650 32.353 31.700 0.005 0.000 0.898 782 S N -0.417 115.391 115.700 0.179 0.000 2.689 782 S HA 0.707 5.177 4.470 -0.000 0.000 0.306 782 S C -0.166 174.529 174.600 0.158 0.000 1.104 782 S CA -0.523 57.776 58.200 0.165 0.000 0.973 782 S CB 1.406 64.677 63.200 0.119 0.000 1.121 782 S HN 0.614 nan 8.310 nan 0.000 0.523 783 S N 0.008 115.785 115.700 0.129 0.000 2.841 783 S HA 0.762 5.232 4.470 -0.000 0.000 0.318 783 S C 0.855 175.432 174.600 -0.037 0.000 1.127 783 S CA -0.240 58.031 58.200 0.118 0.000 0.883 783 S CB 0.689 63.940 63.200 0.085 0.000 1.271 783 S HN 0.828 nan 8.310 nan 0.000 0.567 784 A N 0.237 122.907 122.820 -0.250 0.000 2.172 784 A HA 0.210 4.530 4.320 -0.000 0.000 0.216 784 A C 1.639 179.044 177.584 -0.297 0.000 1.154 784 A CA 1.456 53.220 52.037 -0.455 0.000 0.701 784 A CB -0.974 17.575 19.000 -0.752 0.000 0.789 784 A HN 0.768 nan 8.150 nan 0.000 0.465 785 S N -3.203 112.394 115.700 -0.171 0.000 2.663 785 S HA 0.203 4.673 4.470 -0.000 0.000 0.247 785 S C -0.077 174.522 174.600 -0.003 0.000 1.074 785 S CA -0.340 57.795 58.200 -0.109 0.000 0.955 785 S CB -0.015 63.139 63.200 -0.076 0.000 0.901 785 S HN 0.533 nan 8.310 nan 0.000 0.505 786 Y N 3.586 123.828 120.300 -0.098 0.000 2.342 786 Y HA 0.743 5.293 4.550 -0.000 0.000 0.338 786 Y C 0.621 176.537 175.900 0.025 0.000 0.965 786 Y CA -1.249 56.831 58.100 -0.033 0.000 1.159 786 Y CB 0.247 38.659 38.460 -0.079 0.000 1.157 786 Y HN 0.158 nan 8.280 nan 0.000 0.486 787 A N 4.935 127.536 122.820 -0.366 0.000 3.344 787 A HA 0.439 4.759 4.320 -0.000 0.000 0.147 787 A C 1.325 178.539 177.584 -0.617 0.000 1.021 787 A CA 2.028 53.854 52.037 -0.350 0.000 1.079 787 A CB -1.103 17.757 19.000 -0.232 0.000 0.957 787 A HN 1.714 nan 8.150 nan 0.000 0.543 788 A N -4.487 118.117 122.820 -0.360 0.000 3.490 788 A HA 0.047 4.367 4.320 -0.000 0.000 0.214 788 A C 1.704 179.285 177.584 -0.006 0.000 1.462 788 A CA 1.024 52.933 52.037 -0.213 0.000 1.228 788 A CB -1.450 17.483 19.000 -0.112 0.000 0.793 788 A HN 0.826 nan 8.150 nan 0.000 0.404 789 S N 0.896 116.577 115.700 -0.030 0.000 2.428 789 S HA -0.052 4.418 4.470 -0.000 0.000 0.230 789 S C 1.287 175.816 174.600 -0.119 0.000 1.014 789 S CA 1.284 59.468 58.200 -0.027 0.000 0.957 789 S CB -0.312 62.885 63.200 -0.005 0.000 0.784 789 S HN 0.592 nan 8.310 nan 0.000 0.499 790 D N 1.068 121.309 120.400 -0.265 0.000 2.149 790 D HA -0.050 4.590 4.640 -0.000 0.000 0.198 790 D C 1.110 177.040 176.300 -0.616 0.000 0.990 790 D CA 1.144 54.805 54.000 -0.565 0.000 0.839 790 D CB -0.179 40.006 40.800 -1.026 0.000 0.948 790 D HN 0.464 nan 8.370 nan 0.000 0.460 791 F N -0.437 119.479 119.950 -0.056 0.000 2.731 791 F HA 0.158 4.685 4.527 -0.000 0.000 0.298 791 F C 0.648 176.462 175.800 0.024 0.000 1.106 791 F CA -0.116 57.889 58.000 0.009 0.000 1.329 791 F CB 0.648 39.697 39.000 0.082 0.000 1.100 791 F HN -0.318 nan 8.300 nan 0.000 0.592 792 V N 2.621 122.615 119.914 0.135 0.000 2.357 792 V HA 0.324 4.444 4.120 -0.000 0.000 0.284 792 V C -2.163 173.956 176.094 0.041 0.000 1.018 792 V CA -2.128 60.227 62.300 0.093 0.000 0.841 792 V CB 0.915 32.793 31.823 0.091 0.000 0.991 792 V HN -0.145 nan 8.190 nan 0.000 0.437 793 P HA 0.342 nan 4.420 nan 0.000 0.268 793 P C -0.207 177.105 177.300 0.019 0.000 1.205 793 P CA 0.123 63.232 63.100 0.015 0.000 0.771 793 P CB 0.751 32.461 31.700 0.017 0.000 0.858 794 A N 2.178 125.005 122.820 0.011 0.000 2.239 794 A HA 0.716 5.036 4.320 -0.000 0.000 0.303 794 A C 0.590 178.183 177.584 0.014 0.000 1.114 794 A CA 0.019 52.065 52.037 0.015 0.000 0.871 794 A CB 0.147 19.153 19.000 0.010 0.000 1.201 794 A HN 0.572 nan 8.150 nan 0.000 0.506 795 A N -0.862 121.967 122.820 0.015 0.000 2.790 795 A HA 0.635 4.955 4.320 -0.000 0.000 0.225 795 A C 0.299 177.888 177.584 0.008 0.000 1.904 795 A CA 0.378 52.423 52.037 0.013 0.000 0.878 795 A CB -0.565 18.445 19.000 0.016 0.000 1.774 795 A HN 1.214 nan 8.150 nan 0.000 0.714 796 V N 0.000 119.918 119.914 0.007 0.000 2.409 796 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 796 V CA 0.000 62.302 62.300 0.004 0.000 1.235 796 V CB 0.000 31.825 31.823 0.004 0.000 1.184 796 V HN 0.000 nan 8.190 nan 0.000 0.556