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 1yp2_1_C DATA FIRST_RESID 10 DATA SEQUENCE QTCLDPDASR SVLGIILGGX XXTRLYPLTK KRAKPAVPLG ANYRLIDIPV DATA SEQUENCE SNCLNSNISK IYVLTQFNSA SLNRHLSRAY ASXXXXXXXE GFVEVLAAQQ DATA SEQUENCE SPENPDWFQG TADAVRQYLW LFEEHTVLEY LILAGDHLYR MDYEKFIQAH DATA SEQUENCE RETDADITVA ALPMDEKRAT AFGLMKIDEE GRIIEFAEKP QGEQLQAMKV DATA SEQUENCE DTTILGLDDK RAKEMPFIAS MGIYVISKDV MLNLLRDKFP GANDFGSEVI DATA SEQUENCE PGATSLGMRV QAYLYDGYWE DIGTIEAFYN ANLGITKKPV PDFSFYDRSA DATA SEQUENCE PIYTQPRYLP PSKMLDADVT DSVIGEGCVI KNCKIHHSVV GLRSCISEGA DATA SEQUENCE IIEDSLLMGA DYYETDADRK LLAAKGSVPI GIGKNCHIKR AIIDKNARIG DATA SEQUENCE DNVKIINKDN VQEAARETDG YFIKSGIVTV IKDALIPSGI II 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 10 Q HA 0.000 nan 4.340 nan 0.000 0.214 10 Q C 0.000 176.007 176.000 0.012 0.000 1.003 10 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 10 Q CB 0.000 28.744 28.738 0.009 0.000 1.108 11 T N -1.669 112.895 114.554 0.015 0.000 2.907 11 T HA 0.858 5.208 4.350 -0.000 0.000 0.290 11 T C -0.045 174.666 174.700 0.019 0.000 1.066 11 T CA -0.141 61.968 62.100 0.016 0.000 1.012 11 T CB 2.002 70.881 68.868 0.018 0.000 1.184 11 T HN 0.707 nan 8.240 nan 0.000 0.522 12 C N 0.032 119.342 119.300 0.017 0.000 3.306 12 C HA 0.707 5.167 4.460 -0.000 0.000 0.335 12 C C -0.530 174.468 174.990 0.014 0.000 1.382 12 C CA -1.473 57.556 59.018 0.018 0.000 1.254 12 C CB -0.238 27.511 27.740 0.015 0.000 1.555 12 C HN 1.157 nan 8.230 nan 0.000 0.463 13 L N 1.888 123.119 121.223 0.013 0.000 2.506 13 L HA 0.367 4.707 4.340 -0.000 0.000 0.281 13 L C -0.121 176.752 176.870 0.005 0.000 1.228 13 L CA 1.171 56.015 54.840 0.007 0.000 0.850 13 L CB 0.119 42.180 42.059 0.004 0.000 1.110 13 L HN 0.866 nan 8.230 nan 0.000 0.496 14 D N 3.049 123.451 120.400 0.003 0.000 2.452 14 D HA 0.277 4.917 4.640 -0.000 0.000 0.226 14 D C -2.325 173.976 176.300 0.001 0.000 1.366 14 D CA -0.967 53.035 54.000 0.003 0.000 0.986 14 D CB 1.288 42.091 40.800 0.004 0.000 1.420 14 D HN 0.197 nan 8.370 nan 0.000 0.583 15 P HA 0.168 nan 4.420 nan 0.000 0.267 15 P C -0.264 177.035 177.300 -0.001 0.000 1.201 15 P CA -0.127 62.973 63.100 0.001 0.000 0.775 15 P CB 0.566 32.267 31.700 0.001 0.000 0.854 16 D N -0.093 120.308 120.400 0.000 0.000 2.378 16 D HA 0.197 4.837 4.640 -0.000 0.000 0.238 16 D C 1.282 177.578 176.300 -0.007 0.000 1.180 16 D CA -0.228 53.772 54.000 -0.001 0.000 0.895 16 D CB 0.293 41.094 40.800 0.001 0.000 1.192 16 D HN 0.339 nan 8.370 nan 0.000 0.438 17 A N 1.425 124.241 122.820 -0.007 0.000 1.902 17 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 17 A C 2.171 179.738 177.584 -0.028 0.000 1.181 17 A CA 2.171 54.199 52.037 -0.015 0.000 0.623 17 A CB -1.408 17.592 19.000 0.000 0.000 0.818 17 A HN 0.717 nan 8.150 nan 0.000 0.443 18 S N 0.822 116.506 115.700 -0.027 0.000 2.402 18 S HA -0.262 4.208 4.470 -0.000 0.000 0.233 18 S C 1.787 176.364 174.600 -0.038 0.000 1.030 18 S CA 1.516 59.689 58.200 -0.044 0.000 1.003 18 S CB -0.508 62.670 63.200 -0.036 0.000 0.813 18 S HN 0.820 nan 8.310 nan 0.000 0.477 19 R N 0.971 121.461 120.500 -0.015 0.000 2.282 19 R HA 0.281 4.620 4.340 -0.000 0.000 0.195 19 R C 1.661 177.966 176.300 0.009 0.000 0.909 19 R CA 0.798 56.901 56.100 0.005 0.000 1.039 19 R CB -0.243 30.066 30.300 0.015 0.000 1.015 19 R HN 0.547 nan 8.270 nan 0.000 0.513 20 S N -0.435 115.259 115.700 -0.010 0.000 2.603 20 S HA 0.278 4.748 4.470 -0.000 0.000 0.232 20 S C 0.125 174.696 174.600 -0.047 0.000 1.016 20 S CA -0.548 57.641 58.200 -0.018 0.000 0.976 20 S CB 0.876 64.065 63.200 -0.019 0.000 0.921 20 S HN 0.002 nan 8.310 nan 0.000 0.516 21 V N 2.414 122.296 119.914 -0.054 0.000 2.588 21 V HA 0.611 4.731 4.120 -0.000 0.000 0.304 21 V C -1.121 174.926 176.094 -0.079 0.000 1.042 21 V CA -0.807 61.446 62.300 -0.077 0.000 0.877 21 V CB 1.730 33.505 31.823 -0.080 0.000 0.996 21 V HN 0.454 nan 8.190 nan 0.000 0.425 22 L N 4.505 125.700 121.223 -0.046 0.000 2.305 22 L HA 0.882 5.222 4.340 -0.000 0.000 0.284 22 L C 0.479 177.293 176.870 -0.094 0.000 1.013 22 L CA 0.200 55.000 54.840 -0.067 0.000 0.819 22 L CB 1.266 43.370 42.059 0.075 0.000 1.227 22 L HN 0.720 nan 8.230 nan 0.000 0.417 23 G N 5.957 114.655 108.800 -0.171 0.000 2.372 23 G HA2 0.560 4.520 3.960 -0.000 0.000 0.283 23 G HA3 0.560 4.520 3.960 -0.000 0.000 0.283 23 G C -0.662 174.142 174.900 -0.160 0.000 1.177 23 G CA -0.412 44.588 45.100 -0.167 0.000 0.842 23 G HN 0.636 nan 8.290 nan 0.000 0.503 24 I N 2.940 123.398 120.570 -0.185 0.000 2.466 24 I HA 0.249 4.419 4.170 -0.000 0.000 0.279 24 I C -0.356 175.692 176.117 -0.114 0.000 1.033 24 I CA -0.440 60.742 61.300 -0.197 0.000 1.123 24 I CB 1.674 39.396 38.000 -0.463 0.000 1.237 24 I HN 0.234 nan 8.210 nan 0.000 0.460 25 I N 6.760 127.307 120.570 -0.039 0.000 2.325 25 I HA 0.270 4.439 4.170 -0.000 0.000 0.291 25 I C -0.218 175.914 176.117 0.026 0.000 1.019 25 I CA -0.417 60.879 61.300 -0.007 0.000 1.302 25 I CB 0.915 38.921 38.000 0.010 0.000 1.401 25 I HN 0.342 nan 8.210 nan 0.000 0.485 26 L N 7.041 128.285 121.223 0.034 0.000 2.264 26 L HA 0.517 4.856 4.340 -0.000 0.000 0.287 26 L C 0.705 177.614 176.870 0.065 0.000 1.039 26 L CA -0.148 54.733 54.840 0.068 0.000 0.829 26 L CB 0.846 42.960 42.059 0.091 0.000 1.211 26 L HN 0.769 nan 8.230 nan 0.000 0.427 27 G N 1.333 110.176 108.800 0.072 0.000 3.356 27 G HA2 0.667 4.627 3.960 -0.000 0.000 0.178 27 G HA3 0.667 4.627 3.960 -0.000 0.000 0.178 27 G C 0.216 175.153 174.900 0.061 0.000 1.175 27 G CA -0.201 44.926 45.100 0.045 0.000 0.840 27 G HN 0.802 nan 8.290 nan 0.000 0.658 33 R N 1.677 122.188 120.500 0.018 0.000 2.235 33 R HA 0.294 4.634 4.340 -0.000 0.000 0.213 33 R C 1.495 177.806 176.300 0.018 0.000 1.059 33 R CA 0.627 56.742 56.100 0.026 0.000 0.997 33 R CB -0.809 29.502 30.300 0.019 0.000 0.884 33 R HN 0.449 nan 8.270 nan 0.000 0.462 34 L N 0.574 121.791 121.223 -0.010 0.000 2.769 34 L HA 0.262 4.602 4.340 -0.000 0.000 0.240 34 L C -0.027 176.779 176.870 -0.106 0.000 1.163 34 L CA -0.686 54.103 54.840 -0.085 0.000 0.962 34 L CB -0.018 41.949 42.059 -0.154 0.000 1.258 34 L HN 0.008 nan 8.230 nan 0.000 0.513 35 Y N 3.292 123.475 120.300 -0.196 0.000 2.497 35 Y HA 0.069 4.619 4.550 -0.000 0.000 0.334 35 Y C -1.395 174.250 175.900 -0.426 0.000 1.199 35 Y CA -1.314 56.602 58.100 -0.306 0.000 1.425 35 Y CB 0.837 39.080 38.460 -0.361 0.000 1.291 35 Y HN -0.041 nan 8.280 nan 0.000 0.562 36 P HA 0.040 nan 4.420 nan 0.000 0.261 36 P C 0.779 177.733 177.300 -0.578 0.000 1.352 36 P CA 0.516 62.865 63.100 -1.252 0.000 0.891 36 P CB 0.153 31.160 31.700 -1.154 0.000 1.383 37 L N 0.369 121.371 121.223 -0.369 0.000 2.265 37 L HA -0.068 4.272 4.340 -0.000 0.000 0.215 37 L C 1.996 178.748 176.870 -0.196 0.000 1.117 37 L CA 2.029 56.713 54.840 -0.260 0.000 0.782 37 L CB -1.115 40.751 42.059 -0.323 0.000 0.914 37 L HN 0.142 nan 8.230 nan 0.000 0.441 38 T N -4.664 109.781 114.554 -0.181 0.000 3.145 38 T HA 0.023 4.373 4.350 -0.000 0.000 0.255 38 T C 1.504 176.215 174.700 0.019 0.000 1.039 38 T CA -0.280 61.795 62.100 -0.041 0.000 0.928 38 T CB 0.231 69.115 68.868 0.027 0.000 1.029 38 T HN 0.167 nan 8.240 nan 0.000 0.554 39 K N 1.766 122.076 120.400 -0.150 0.000 2.097 39 K HA 0.016 4.335 4.320 -0.000 0.000 0.206 39 K C 0.994 177.616 176.600 0.035 0.000 1.049 39 K CA 0.920 57.172 56.287 -0.057 0.000 0.933 39 K CB 0.112 32.419 32.500 -0.322 0.000 0.717 39 K HN 0.218 nan 8.250 nan 0.000 0.442 40 K N 0.369 120.778 120.400 0.014 0.000 3.278 40 K HA 0.133 4.453 4.320 -0.000 0.000 0.200 40 K C -1.391 175.264 176.600 0.091 0.000 1.107 40 K CA -0.359 55.956 56.287 0.046 0.000 0.923 40 K CB 1.024 33.532 32.500 0.013 0.000 0.787 40 K HN 0.183 nan 8.250 nan 0.000 0.481 41 R N -1.949 118.652 120.500 0.169 0.000 2.687 41 R HA 0.525 4.865 4.340 -0.000 0.000 0.265 41 R C -1.473 174.955 176.300 0.213 0.000 1.048 41 R CA -0.987 55.223 56.100 0.184 0.000 0.884 41 R CB 0.554 30.893 30.300 0.065 0.000 1.258 41 R HN 0.025 nan 8.270 nan 0.000 0.469 42 A N 1.840 124.713 122.820 0.087 0.000 2.477 42 A HA 0.149 4.469 4.320 -0.000 0.000 0.246 42 A C 0.906 178.408 177.584 -0.137 0.000 1.078 42 A CA 0.057 51.931 52.037 -0.271 0.000 0.770 42 A CB 0.603 19.409 19.000 -0.322 0.000 1.011 42 A HN 0.954 nan 8.150 nan 0.000 0.494 43 K N 1.959 122.266 120.400 -0.155 0.000 2.103 43 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 43 K C -1.070 175.489 176.600 -0.068 0.000 1.048 43 K CA 2.013 58.248 56.287 -0.086 0.000 0.930 43 K CB -0.703 31.758 32.500 -0.066 0.000 0.716 43 K HN 0.545 nan 8.250 nan 0.000 0.444 44 P HA -0.085 nan 4.420 nan 0.000 0.225 44 P C 0.274 177.557 177.300 -0.028 0.000 1.148 44 P CA 1.273 64.357 63.100 -0.027 0.000 0.779 44 P CB 0.118 31.809 31.700 -0.015 0.000 0.780 45 A N -1.057 121.732 122.820 -0.051 0.000 2.251 45 A HA 0.081 4.401 4.320 -0.000 0.000 0.209 45 A C 0.796 178.342 177.584 -0.062 0.000 1.187 45 A CA 0.043 52.038 52.037 -0.070 0.000 0.823 45 A CB -0.756 18.216 19.000 -0.047 0.000 0.846 45 A HN -0.031 nan 8.150 nan 0.000 0.486 46 V N 2.435 122.324 119.914 -0.043 0.000 2.509 46 V HA 0.032 4.152 4.120 -0.000 0.000 0.297 46 V C -2.139 173.981 176.094 0.043 0.000 1.014 46 V CA -0.734 61.545 62.300 -0.034 0.000 1.127 46 V CB 0.162 31.924 31.823 -0.102 0.000 0.925 46 V HN 0.271 nan 8.190 nan 0.000 0.480 47 P HA 0.205 nan 4.420 nan 0.000 0.266 47 P C -0.709 176.719 177.300 0.213 0.000 1.193 47 P CA 0.064 63.212 63.100 0.080 0.000 0.770 47 P CB 0.533 32.264 31.700 0.052 0.000 0.836 48 L N 1.425 122.736 121.223 0.147 0.000 2.472 48 L HA 0.634 4.974 4.340 -0.000 0.000 0.260 48 L C 0.511 177.400 176.870 0.031 0.000 0.963 48 L CA 0.057 54.978 54.840 0.134 0.000 0.829 48 L CB 1.574 43.742 42.059 0.181 0.000 1.348 48 L HN 0.574 nan 8.230 nan 0.000 0.408 49 G N 3.553 112.354 108.800 0.001 0.000 2.379 49 G HA2 0.061 4.021 3.960 -0.000 0.000 0.297 49 G HA3 0.061 4.021 3.960 -0.000 0.000 0.297 49 G C 1.019 175.905 174.900 -0.024 0.000 1.004 49 G CA 1.416 46.501 45.100 -0.024 0.000 0.921 49 G HN 2.357 nan 8.290 nan 0.000 0.511 50 A N -1.684 121.115 122.820 -0.034 0.000 2.079 50 A HA -0.330 3.990 4.320 -0.000 0.000 0.230 50 A C 1.480 178.971 177.584 -0.154 0.000 0.537 50 A CA 2.326 54.319 52.037 -0.073 0.000 1.134 50 A CB -1.535 17.427 19.000 -0.064 0.000 1.423 50 A HN 1.346 nan 8.150 nan 0.000 0.706 51 N N -2.209 116.312 118.700 -0.298 0.000 2.170 51 N HA 0.441 5.181 4.740 -0.000 0.000 0.222 51 N C -0.139 174.943 175.510 -0.714 0.000 1.218 51 N CA 0.160 52.877 53.050 -0.555 0.000 0.889 51 N CB 0.581 38.601 38.487 -0.779 0.000 1.083 51 N HN 0.657 nan 8.380 nan 0.000 0.520 52 Y N 0.277 120.450 120.300 -0.213 0.000 2.833 52 Y HA 0.593 5.143 4.550 -0.000 0.000 0.319 52 Y C 0.041 175.886 175.900 -0.092 0.000 1.254 52 Y CA -1.046 56.970 58.100 -0.139 0.000 1.138 52 Y CB 0.996 39.297 38.460 -0.265 0.000 1.352 52 Y HN -0.359 nan 8.280 nan 0.000 0.546 53 R N -0.163 120.425 120.500 0.145 0.000 2.771 53 R HA 0.435 4.774 4.340 -0.000 0.000 0.274 53 R C 0.362 176.729 176.300 0.112 0.000 0.987 53 R CA -0.792 55.326 56.100 0.030 0.000 0.908 53 R CB 1.869 32.038 30.300 -0.219 0.000 1.213 53 R HN 0.577 nan 8.270 nan 0.000 0.468 54 L N 1.123 122.408 121.223 0.102 0.000 2.043 54 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 54 L C 2.247 179.175 176.870 0.097 0.000 1.075 54 L CA 1.442 56.347 54.840 0.109 0.000 0.752 54 L CB -0.391 41.717 42.059 0.080 0.000 0.891 54 L HN 0.625 nan 8.230 nan 0.000 0.432 55 I N 0.266 120.888 120.570 0.088 0.000 2.423 55 I HA -0.300 3.870 4.170 -0.000 0.000 0.254 55 I C 1.941 178.160 176.117 0.169 0.000 1.151 55 I CA 1.576 62.942 61.300 0.111 0.000 1.421 55 I CB -0.484 37.592 38.000 0.126 0.000 1.079 55 I HN 0.232 nan 8.210 nan 0.000 0.431 56 D N 0.398 120.956 120.400 0.264 0.000 2.218 56 D HA -0.157 4.483 4.640 -0.000 0.000 0.204 56 D C 2.253 178.681 176.300 0.215 0.000 0.976 56 D CA 1.083 55.301 54.000 0.364 0.000 0.853 56 D CB -0.010 41.072 40.800 0.470 0.000 0.939 56 D HN 0.321 nan 8.370 nan 0.000 0.481 57 I N 1.869 122.521 120.570 0.136 0.000 2.090 57 I HA -0.170 4.000 4.170 -0.000 0.000 0.236 57 I C -0.521 175.580 176.117 -0.026 0.000 1.064 57 I CA 1.319 62.636 61.300 0.029 0.000 1.324 57 I CB -2.470 35.504 38.000 -0.044 0.000 1.044 57 I HN 0.009 nan 8.210 nan 0.000 0.399 58 P HA -0.059 nan 4.420 nan 0.000 0.217 58 P C 2.154 179.475 177.300 0.036 0.000 1.151 58 P CA 1.212 64.341 63.100 0.047 0.000 0.828 58 P CB 0.035 31.780 31.700 0.075 0.000 0.788 59 V N 0.592 120.489 119.914 -0.028 0.000 2.358 59 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 59 V C 2.746 178.776 176.094 -0.106 0.000 1.047 59 V CA 2.313 64.514 62.300 -0.166 0.000 1.035 59 V CB -1.403 30.152 31.823 -0.447 0.000 0.658 59 V HN 0.168 nan 8.190 nan 0.000 0.452 60 S N 0.383 116.103 115.700 0.033 0.000 2.355 60 S HA -0.170 4.300 4.470 -0.000 0.000 0.222 60 S C 1.903 176.552 174.600 0.083 0.000 1.031 60 S CA 1.332 59.646 58.200 0.189 0.000 0.993 60 S CB -0.468 62.836 63.200 0.172 0.000 0.859 60 S HN 0.590 nan 8.310 nan 0.000 0.453 61 N N 1.161 119.852 118.700 -0.015 0.000 2.094 61 N HA -0.098 4.642 4.740 -0.000 0.000 0.191 61 N C 1.832 177.327 175.510 -0.024 0.000 1.023 61 N CA 1.097 54.065 53.050 -0.135 0.000 0.857 61 N CB -0.832 37.502 38.487 -0.256 0.000 1.013 61 N HN 0.373 nan 8.380 nan 0.000 0.426 62 C N 0.821 120.218 119.300 0.162 0.000 2.436 62 C HA -0.011 4.449 4.460 -0.000 0.000 0.277 62 C C 2.859 177.889 174.990 0.068 0.000 1.241 62 C CA 0.231 59.361 59.018 0.187 0.000 1.721 62 C CB -1.216 26.566 27.740 0.069 0.000 2.043 62 C HN 0.424 nan 8.230 nan 0.000 0.472 63 L N 0.852 122.092 121.223 0.028 0.000 2.042 63 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 63 L C 1.909 178.817 176.870 0.065 0.000 1.076 63 L CA 1.786 56.640 54.840 0.023 0.000 0.749 63 L CB -0.833 41.236 42.059 0.016 0.000 0.893 63 L HN 0.517 nan 8.230 nan 0.000 0.432 64 N N -1.104 117.656 118.700 0.100 0.000 2.571 64 N HA -0.070 4.669 4.740 -0.000 0.000 0.189 64 N C 0.928 176.441 175.510 0.005 0.000 1.154 64 N CA 0.247 53.336 53.050 0.064 0.000 0.907 64 N CB 0.182 38.686 38.487 0.028 0.000 0.977 64 N HN 0.115 nan 8.380 nan 0.000 0.449 65 S N 0.400 116.107 115.700 0.011 0.000 2.602 65 S HA 0.108 4.578 4.470 -0.000 0.000 0.240 65 S C 0.278 174.905 174.600 0.045 0.000 0.992 65 S CA -0.428 57.787 58.200 0.025 0.000 0.971 65 S CB 0.085 63.324 63.200 0.065 0.000 0.855 65 S HN 0.360 nan 8.310 nan 0.000 0.481 66 N N 1.442 120.157 118.700 0.025 0.000 2.741 66 N HA -0.186 4.553 4.740 -0.000 0.000 0.250 66 N C -0.785 174.720 175.510 -0.008 0.000 1.115 66 N CA 0.552 53.606 53.050 0.007 0.000 0.724 66 N CB -1.622 36.870 38.487 0.007 0.000 1.090 66 N HN 0.523 nan 8.380 nan 0.000 0.558 67 I N 0.571 121.138 120.570 -0.004 0.000 2.328 67 I HA 0.186 4.356 4.170 -0.000 0.000 0.287 67 I C 1.031 177.081 176.117 -0.112 0.000 1.012 67 I CA -0.111 61.161 61.300 -0.047 0.000 1.195 67 I CB 1.371 39.366 38.000 -0.008 0.000 1.350 67 I HN 0.300 nan 8.210 nan 0.000 0.464 68 S N 3.780 119.377 115.700 -0.171 0.000 2.540 68 S HA 0.237 4.707 4.470 -0.000 0.000 0.222 68 S C 0.503 174.822 174.600 -0.469 0.000 1.008 68 S CA -0.439 57.616 58.200 -0.242 0.000 0.939 68 S CB 0.061 63.163 63.200 -0.164 0.000 0.865 68 S HN 0.489 nan 8.310 nan 0.000 0.499 69 K N 1.927 121.981 120.400 -0.578 0.000 2.299 69 K HA 0.530 4.849 4.320 -0.000 0.000 0.268 69 K C -1.224 174.793 176.600 -0.971 0.000 1.075 69 K CA -0.080 55.489 56.287 -1.198 0.000 0.936 69 K CB 0.851 32.876 32.500 -0.793 0.000 1.228 69 K HN 0.331 nan 8.250 nan 0.000 0.454 70 I N 2.874 122.833 120.570 -1.018 0.000 2.465 70 I HA 0.315 4.485 4.170 -0.000 0.000 0.291 70 I C -0.728 175.245 176.117 -0.240 0.000 1.014 70 I CA -1.014 60.009 61.300 -0.462 0.000 1.093 70 I CB 1.178 39.001 38.000 -0.295 0.000 1.267 70 I HN 0.434 nan 8.210 nan 0.000 0.431 71 Y N 4.553 124.857 120.300 0.007 0.000 2.377 71 Y HA 0.561 5.111 4.550 -0.000 0.000 0.339 71 Y C -0.233 175.681 175.900 0.024 0.000 1.011 71 Y CA -1.025 57.138 58.100 0.105 0.000 1.093 71 Y CB 2.262 40.820 38.460 0.164 0.000 1.201 71 Y HN 0.163 nan 8.280 nan 0.000 0.455 72 V N 5.657 125.707 119.914 0.227 0.000 2.350 72 V HA 0.253 4.373 4.120 -0.000 0.000 0.285 72 V C -0.701 175.458 176.094 0.109 0.000 1.014 72 V CA -0.728 61.647 62.300 0.124 0.000 0.831 72 V CB 1.000 32.881 31.823 0.096 0.000 1.000 72 V HN 0.465 nan 8.190 nan 0.000 0.433 73 L N 4.783 126.068 121.223 0.105 0.000 2.292 73 L HA 0.753 5.093 4.340 -0.000 0.000 0.284 73 L C 0.342 177.304 176.870 0.154 0.000 1.065 73 L CA 0.898 55.821 54.840 0.138 0.000 0.806 73 L CB 1.548 43.696 42.059 0.148 0.000 1.175 73 L HN 0.787 nan 8.230 nan 0.000 0.431 74 T N 0.596 115.257 114.554 0.178 0.000 2.792 74 T HA 0.183 4.533 4.350 -0.000 0.000 0.303 74 T C 0.405 175.146 174.700 0.069 0.000 1.310 74 T CA -0.366 61.783 62.100 0.082 0.000 1.007 74 T CB 1.390 70.232 68.868 -0.045 0.000 1.335 74 T HN 0.683 nan 8.240 nan 0.000 0.504 75 Q N 0.134 119.894 119.800 -0.066 0.000 2.050 75 Q HA 0.077 4.417 4.340 -0.000 0.000 0.202 75 Q C -0.162 175.851 176.000 0.021 0.000 0.980 75 Q CA 1.488 57.265 55.803 -0.044 0.000 0.840 75 Q CB 0.010 28.792 28.738 0.074 0.000 0.898 75 Q HN 0.602 nan 8.270 nan 0.000 0.424 76 F N -1.387 118.568 119.950 0.008 0.000 2.613 76 F HA 0.497 5.024 4.527 -0.000 0.000 0.310 76 F C -0.888 174.929 175.800 0.028 0.000 1.085 76 F CA -1.678 56.321 58.000 -0.002 0.000 0.945 76 F CB 0.635 39.620 39.000 -0.024 0.000 1.298 76 F HN -0.201 nan 8.300 nan 0.000 0.455 77 N N 0.446 119.286 118.700 0.234 0.000 2.326 77 N HA 0.460 5.200 4.740 -0.000 0.000 0.239 77 N C -0.948 174.703 175.510 0.234 0.000 1.301 77 N CA -0.010 53.136 53.050 0.160 0.000 0.909 77 N CB 0.801 39.366 38.487 0.129 0.000 1.156 77 N HN 0.777 nan 8.380 nan 0.000 0.462 78 S N -1.081 114.710 115.700 0.152 0.000 2.562 78 S HA 0.556 5.026 4.470 -0.000 0.000 0.274 78 S C 0.137 174.802 174.600 0.109 0.000 1.160 78 S CA -0.456 57.837 58.200 0.155 0.000 0.933 78 S CB 1.001 64.288 63.200 0.146 0.000 1.100 78 S HN 0.595 nan 8.310 nan 0.000 0.468 79 A N 3.336 126.212 122.820 0.095 0.000 1.972 79 A HA 0.045 4.365 4.320 -0.000 0.000 0.219 79 A C 2.364 179.997 177.584 0.082 0.000 1.169 79 A CA 2.193 54.277 52.037 0.078 0.000 0.635 79 A CB -1.166 17.871 19.000 0.062 0.000 0.810 79 A HN 1.051 nan 8.150 nan 0.000 0.446 80 S N -0.563 115.187 115.700 0.084 0.000 2.343 80 S HA -0.115 4.355 4.470 -0.000 0.000 0.219 80 S C 1.968 176.630 174.600 0.104 0.000 1.033 80 S CA 1.341 59.591 58.200 0.083 0.000 1.014 80 S CB -0.484 62.756 63.200 0.067 0.000 0.915 80 S HN 0.499 nan 8.310 nan 0.000 0.435 81 L N 1.675 122.954 121.223 0.093 0.000 1.990 81 L HA -0.205 4.135 4.340 -0.000 0.000 0.213 81 L C 2.284 179.246 176.870 0.153 0.000 1.072 81 L CA 2.030 56.935 54.840 0.108 0.000 0.755 81 L CB -0.990 41.111 42.059 0.070 0.000 0.889 81 L HN 0.413 nan 8.230 nan 0.000 0.432 82 N N -0.122 118.650 118.700 0.121 0.000 2.069 82 N HA -0.259 4.481 4.740 -0.000 0.000 0.191 82 N C 1.829 177.408 175.510 0.115 0.000 1.031 82 N CA 1.401 54.521 53.050 0.117 0.000 0.852 82 N CB -0.520 38.023 38.487 0.094 0.000 1.018 82 N HN 0.334 nan 8.380 nan 0.000 0.423 83 R N 0.119 120.682 120.500 0.106 0.000 2.091 83 R HA -0.187 4.152 4.340 -0.000 0.000 0.238 83 R C 2.162 178.516 176.300 0.090 0.000 1.136 83 R CA 1.667 57.819 56.100 0.086 0.000 0.959 83 R CB -0.352 29.995 30.300 0.079 0.000 0.856 83 R HN 0.385 nan 8.270 nan 0.000 0.437 84 H N 0.210 119.301 119.070 0.036 0.000 2.321 84 H HA -0.048 4.508 4.556 -0.000 0.000 0.300 84 H C 2.027 177.376 175.328 0.035 0.000 1.087 84 H CA 2.081 58.141 56.048 0.021 0.000 1.319 84 H CB -0.153 29.637 29.762 0.047 0.000 1.379 84 H HN 0.166 nan 8.280 nan 0.000 0.501 85 L N -0.566 120.768 121.223 0.184 0.000 2.056 85 L HA -0.155 4.184 4.340 -0.000 0.000 0.207 85 L C 2.606 179.543 176.870 0.112 0.000 1.078 85 L CA 1.251 56.232 54.840 0.234 0.000 0.749 85 L CB -0.453 41.766 42.059 0.266 0.000 0.901 85 L HN 0.290 nan 8.230 nan 0.000 0.433 86 S N -0.142 115.597 115.700 0.065 0.000 2.343 86 S HA -0.163 4.307 4.470 -0.000 0.000 0.219 86 S C 2.033 176.613 174.600 -0.033 0.000 1.033 86 S CA 1.211 59.433 58.200 0.037 0.000 1.014 86 S CB -0.284 62.940 63.200 0.041 0.000 0.915 86 S HN 0.351 nan 8.310 nan 0.000 0.435 87 R N 1.225 121.679 120.500 -0.077 0.000 2.073 87 R HA -0.017 4.323 4.340 -0.000 0.000 0.234 87 R C 2.547 178.703 176.300 -0.241 0.000 1.134 87 R CA 1.379 57.406 56.100 -0.122 0.000 0.952 87 R CB -0.521 29.716 30.300 -0.106 0.000 0.850 87 R HN 0.427 nan 8.270 nan 0.000 0.433 88 A N -0.401 122.149 122.820 -0.450 0.000 1.970 88 A HA -0.071 4.248 4.320 -0.000 0.000 0.216 88 A C 1.245 178.311 177.584 -0.865 0.000 1.170 88 A CA 0.975 52.537 52.037 -0.791 0.000 0.645 88 A CB -0.077 18.127 19.000 -1.326 0.000 0.816 88 A HN 0.357 nan 8.150 nan 0.000 0.447 89 Y N -1.637 118.602 120.300 -0.103 0.000 3.011 89 Y HA 0.468 5.018 4.550 -0.000 0.000 0.231 89 Y C 1.596 177.462 175.900 -0.057 0.000 0.983 89 Y CA -0.308 57.741 58.100 -0.084 0.000 1.429 89 Y CB -0.301 38.125 38.460 -0.056 0.000 1.491 89 Y HN 0.090 nan 8.280 nan 0.000 0.444 90 A N 2.281 125.186 122.820 0.142 0.000 2.544 90 A HA 0.344 4.664 4.320 -0.000 0.000 0.286 90 A C 0.373 177.984 177.584 0.045 0.000 1.274 90 A CA 1.228 53.320 52.037 0.091 0.000 0.943 90 A CB -1.340 17.714 19.000 0.090 0.000 1.032 90 A HN 0.454 nan 8.150 nan 0.000 0.560 100 G N 1.922 110.746 108.800 0.040 0.000 2.690 100 G HA2 0.865 4.825 3.960 -0.000 0.000 0.291 100 G HA3 0.865 4.825 3.960 -0.000 0.000 0.291 100 G C -1.355 173.548 174.900 0.005 0.000 1.403 100 G CA -0.695 44.351 45.100 -0.090 0.000 0.864 100 G HN 0.326 nan 8.290 nan 0.000 0.480 101 F N -1.956 117.946 119.950 -0.080 0.000 2.741 101 F HA 0.747 5.273 4.527 -0.000 0.000 0.311 101 F C -1.571 174.161 175.800 -0.113 0.000 1.149 101 F CA -1.540 56.413 58.000 -0.078 0.000 0.930 101 F CB 1.558 40.507 39.000 -0.085 0.000 1.312 101 F HN 0.457 nan 8.300 nan 0.000 0.450 102 V N 1.489 121.514 119.914 0.185 0.000 2.419 102 V HA 0.459 4.579 4.120 -0.000 0.000 0.287 102 V C -0.960 175.269 176.094 0.227 0.000 1.017 102 V CA -0.505 61.860 62.300 0.108 0.000 0.844 102 V CB 1.261 33.108 31.823 0.040 0.000 1.011 102 V HN 0.806 nan 8.190 nan 0.000 0.429 103 E N 2.888 123.261 120.200 0.289 0.000 2.222 103 E HA 0.608 4.958 4.350 -0.000 0.000 0.267 103 E C -1.215 175.537 176.600 0.253 0.000 0.884 103 E CA -0.786 55.765 56.400 0.253 0.000 0.764 103 E CB 3.094 32.937 29.700 0.238 0.000 1.169 103 E HN 0.405 nan 8.360 nan 0.000 0.413 104 V N 4.304 124.314 119.914 0.160 0.000 2.432 104 V HA 0.253 4.373 4.120 -0.000 0.000 0.275 104 V C -0.180 175.939 176.094 0.041 0.000 1.043 104 V CA -0.324 62.041 62.300 0.109 0.000 0.925 104 V CB 0.642 32.516 31.823 0.085 0.000 0.985 104 V HN 0.495 nan 8.190 nan 0.000 0.466 105 L N 5.033 126.235 121.223 -0.035 0.000 2.319 105 L HA 0.733 5.073 4.340 -0.000 0.000 0.281 105 L C 0.264 177.123 176.870 -0.019 0.000 1.005 105 L CA -0.375 54.312 54.840 -0.256 0.000 0.828 105 L CB 1.617 43.198 42.059 -0.796 0.000 1.227 105 L HN 0.724 nan 8.230 nan 0.000 0.415 106 A N 2.222 125.104 122.820 0.103 0.000 2.295 106 A HA 0.772 5.092 4.320 -0.000 0.000 0.318 106 A C 0.753 178.518 177.584 0.302 0.000 1.134 106 A CA 0.210 52.360 52.037 0.188 0.000 0.827 106 A CB 1.498 20.573 19.000 0.124 0.000 1.136 106 A HN 0.863 nan 8.150 nan 0.000 0.493 107 A N 0.894 123.752 122.820 0.062 0.000 1.840 107 A HA 0.102 4.422 4.320 -0.000 0.000 0.214 107 A C 1.222 178.660 177.584 -0.244 0.000 1.198 107 A CA 1.534 53.317 52.037 -0.423 0.000 0.608 107 A CB -0.581 17.559 19.000 -1.433 0.000 0.839 107 A HN 0.947 nan 8.150 nan 0.000 0.443 108 Q N -0.821 118.848 119.800 -0.218 0.000 2.226 108 Q HA 0.509 4.849 4.340 -0.000 0.000 0.256 108 Q C -1.058 174.910 176.000 -0.053 0.000 0.962 108 Q CA -0.631 55.059 55.803 -0.189 0.000 0.887 108 Q CB 0.988 29.543 28.738 -0.306 0.000 1.282 108 Q HN 0.346 nan 8.270 nan 0.000 0.449 109 Q N 1.189 120.958 119.800 -0.052 0.000 2.217 109 Q HA 0.214 4.554 4.340 -0.000 0.000 0.226 109 Q C -0.586 175.402 176.000 -0.020 0.000 0.875 109 Q CA 0.180 55.981 55.803 -0.004 0.000 0.974 109 Q CB 0.629 29.367 28.738 0.002 0.000 1.079 109 Q HN 0.779 nan 8.270 nan 0.000 0.463 110 S N -2.335 113.334 115.700 -0.052 0.000 2.806 110 S HA 0.527 4.997 4.470 -0.000 0.000 0.294 110 S C -2.600 171.904 174.600 -0.160 0.000 1.239 110 S CA -0.715 57.435 58.200 -0.083 0.000 1.052 110 S CB 0.755 63.904 63.200 -0.086 0.000 1.332 110 S HN -0.082 nan 8.310 nan 0.000 0.516 111 P HA 0.423 nan 4.420 nan 0.000 0.450 111 P C 0.215 177.435 177.300 -0.133 0.000 1.203 111 P CA 0.006 62.980 63.100 -0.209 0.000 1.744 111 P CB 0.709 32.266 31.700 -0.237 0.000 1.453 112 E N -0.114 120.023 120.200 -0.106 0.000 2.250 112 E HA 0.100 4.449 4.350 -0.000 0.000 0.192 112 E C 0.358 176.910 176.600 -0.080 0.000 0.986 112 E CA 0.664 57.019 56.400 -0.076 0.000 0.849 112 E CB -0.211 29.453 29.700 -0.059 0.000 0.797 112 E HN 0.118 nan 8.360 nan 0.000 0.482 113 N N 1.948 120.582 118.700 -0.110 0.000 3.012 113 N HA 0.204 4.944 4.740 -0.000 0.000 0.270 113 N C -2.725 172.648 175.510 -0.230 0.000 1.469 113 N CA -1.265 51.706 53.050 -0.132 0.000 0.928 113 N CB 1.114 39.532 38.487 -0.115 0.000 1.219 113 N HN -0.035 nan 8.380 nan 0.000 0.492 114 P HA 0.016 nan 4.420 nan 0.000 0.261 114 P C -0.532 176.123 177.300 -1.075 0.000 1.183 114 P CA 0.857 63.669 63.100 -0.480 0.000 0.761 114 P CB 0.581 32.213 31.700 -0.113 0.000 0.785 115 D N 2.379 121.921 120.400 -1.430 0.000 2.859 115 D HA 0.441 5.081 4.640 -0.000 0.000 0.223 115 D C -1.142 174.314 176.300 -1.407 0.000 1.218 115 D CA -0.253 52.889 54.000 -1.431 0.000 0.850 115 D CB 1.532 41.950 40.800 -0.637 0.000 1.656 115 D HN 0.229 nan 8.370 nan 0.000 0.484 116 W N 1.505 122.709 121.300 -0.160 0.000 3.165 116 W HA 0.516 5.176 4.660 -0.000 0.000 0.351 116 W C -0.687 175.666 176.519 -0.277 0.000 1.164 116 W CA -0.889 56.330 57.345 -0.210 0.000 1.074 116 W CB 0.527 29.953 29.460 -0.056 0.000 1.499 116 W HN 0.218 nan 8.180 nan 0.000 0.600 117 F N 1.050 121.185 119.950 0.308 0.000 2.467 117 F HA 0.212 4.739 4.527 -0.000 0.000 0.336 117 F C 1.051 176.945 175.800 0.156 0.000 1.123 117 F CA -0.878 57.235 58.000 0.188 0.000 0.964 117 F CB 1.623 40.715 39.000 0.154 0.000 1.136 117 F HN 0.062 nan 8.300 nan 0.000 0.447 118 Q N 3.394 123.400 119.800 0.342 0.000 2.945 118 Q HA 0.400 4.739 4.340 -0.000 0.000 0.323 118 Q C 0.366 176.444 176.000 0.131 0.000 1.188 118 Q CA -0.220 55.696 55.803 0.188 0.000 0.929 118 Q CB 0.026 28.846 28.738 0.136 0.000 1.531 118 Q HN 0.895 nan 8.270 nan 0.000 0.444 119 G N 0.440 109.335 108.800 0.158 0.000 2.440 119 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.684 119 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.684 119 G C 0.502 175.442 174.900 0.068 0.000 1.309 119 G CA -0.348 44.808 45.100 0.093 0.000 0.931 119 G HN 0.233 nan 8.290 nan 0.000 0.612 120 T N -1.765 112.842 114.554 0.087 0.000 2.720 120 T HA 0.102 4.452 4.350 -0.000 0.000 0.268 120 T C 2.621 177.347 174.700 0.042 0.000 1.037 120 T CA 2.721 64.914 62.100 0.155 0.000 1.144 120 T CB -0.385 68.682 68.868 0.332 0.000 0.864 120 T HN 2.034 nan 8.240 nan 0.000 0.444 121 A N 1.776 124.443 122.820 -0.255 0.000 1.929 121 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 121 A C 2.079 179.493 177.584 -0.283 0.000 1.176 121 A CA 1.677 53.334 52.037 -0.634 0.000 0.628 121 A CB -0.946 17.622 19.000 -0.721 0.000 0.816 121 A HN 0.516 nan 8.150 nan 0.000 0.444 122 D N -0.183 120.118 120.400 -0.165 0.000 2.117 122 D HA -0.018 4.622 4.640 -0.000 0.000 0.197 122 D C 2.232 178.378 176.300 -0.256 0.000 0.987 122 D CA 1.516 55.453 54.000 -0.106 0.000 0.829 122 D CB -0.133 40.681 40.800 0.023 0.000 0.961 122 D HN 0.411 nan 8.370 nan 0.000 0.460 123 A N -0.072 122.494 122.820 -0.424 0.000 1.877 123 A HA -0.153 4.166 4.320 -0.000 0.000 0.216 123 A C 2.386 179.737 177.584 -0.389 0.000 1.186 123 A CA 1.331 52.790 52.037 -0.963 0.000 0.620 123 A CB -0.827 17.799 19.000 -0.623 0.000 0.822 123 A HN 0.160 nan 8.150 nan 0.000 0.443 124 V N -0.065 119.807 119.914 -0.071 0.000 2.358 124 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 124 V C 2.629 178.804 176.094 0.134 0.000 1.047 124 V CA 2.169 64.573 62.300 0.174 0.000 1.035 124 V CB -0.824 31.163 31.823 0.273 0.000 0.658 124 V HN 0.657 nan 8.190 nan 0.000 0.452 125 R N -0.167 120.329 120.500 -0.006 0.000 2.091 125 R HA -0.227 4.112 4.340 -0.000 0.000 0.238 125 R C 2.432 178.715 176.300 -0.027 0.000 1.136 125 R CA 1.894 57.992 56.100 -0.003 0.000 0.959 125 R CB -0.322 29.956 30.300 -0.037 0.000 0.856 125 R HN 0.541 nan 8.270 nan 0.000 0.437 126 Q N -0.713 119.021 119.800 -0.110 0.000 2.181 126 Q HA -0.201 4.139 4.340 -0.000 0.000 0.205 126 Q C 0.376 176.167 176.000 -0.348 0.000 0.980 126 Q CA 1.593 57.291 55.803 -0.175 0.000 0.862 126 Q CB 0.155 28.786 28.738 -0.179 0.000 0.905 126 Q HN 0.527 nan 8.270 nan 0.000 0.429 127 Y N -1.166 118.975 120.300 -0.265 0.000 2.660 127 Y HA 0.040 4.590 4.550 -0.000 0.000 0.254 127 Y C 1.161 176.294 175.900 -1.279 0.000 1.176 127 Y CA -0.487 57.086 58.100 -0.878 0.000 1.195 127 Y CB 0.626 38.407 38.460 -1.131 0.000 1.190 127 Y HN 0.097 nan 8.280 nan 0.000 0.535 128 L N 1.056 122.066 121.223 -0.354 0.000 2.079 128 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 128 L C 2.380 179.173 176.870 -0.128 0.000 1.081 128 L CA 1.859 56.657 54.840 -0.070 0.000 0.752 128 L CB -0.697 41.439 42.059 0.130 0.000 0.896 128 L HN 0.538 nan 8.230 nan 0.000 0.433 129 W N -1.149 120.095 121.300 -0.093 0.000 2.342 129 W HA -0.229 4.431 4.660 -0.000 0.000 0.297 129 W C 1.970 178.456 176.519 -0.055 0.000 1.213 129 W CA 0.986 58.302 57.345 -0.048 0.000 1.251 129 W CB -1.236 28.183 29.460 -0.068 0.000 1.136 129 W HN 0.234 nan 8.180 nan 0.000 0.526 130 L N 0.119 120.586 121.223 -1.261 0.000 2.044 130 L HA -0.127 4.213 4.340 -0.000 0.000 0.205 130 L C 2.832 179.495 176.870 -0.345 0.000 1.075 130 L CA 1.647 55.806 54.840 -1.134 0.000 0.747 130 L CB -0.758 40.253 42.059 -1.747 0.000 0.903 130 L HN -0.171 nan 8.230 nan 0.000 0.435 131 F N 0.276 120.116 119.950 -0.183 0.000 2.202 131 F HA -0.231 4.296 4.527 -0.000 0.000 0.301 131 F C 2.445 178.436 175.800 0.319 0.000 1.082 131 F CA 0.808 58.873 58.000 0.107 0.000 1.313 131 F CB -0.268 38.570 39.000 -0.270 0.000 1.024 131 F HN 0.165 nan 8.300 nan 0.000 0.495 132 E N 0.479 120.888 120.200 0.349 0.000 2.204 132 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 132 E C 1.686 178.437 176.600 0.251 0.000 0.989 132 E CA 0.875 57.473 56.400 0.331 0.000 0.824 132 E CB -0.254 29.593 29.700 0.246 0.000 0.756 132 E HN 0.565 nan 8.360 nan 0.000 0.477 133 E N 0.067 120.372 120.200 0.174 0.000 2.472 133 E HA -0.071 4.278 4.350 -0.000 0.000 0.200 133 E C 0.233 176.812 176.600 -0.034 0.000 1.046 133 E CA 0.366 56.792 56.400 0.044 0.000 0.871 133 E CB 0.037 29.709 29.700 -0.048 0.000 0.806 133 E HN 0.305 nan 8.360 nan 0.000 0.533 134 H N 0.213 119.416 119.070 0.221 0.000 2.467 134 H HA 0.151 4.706 4.556 -0.000 0.000 0.331 134 H C -0.156 175.271 175.328 0.165 0.000 1.120 134 H CA -0.036 56.143 56.048 0.218 0.000 1.270 134 H CB 1.436 31.384 29.762 0.310 0.000 1.466 134 H HN -0.158 nan 8.280 nan 0.000 0.504 135 T N 4.125 118.816 114.554 0.228 0.000 3.414 135 T HA 0.284 4.634 4.350 -0.000 0.000 0.304 135 T C 0.453 175.222 174.700 0.115 0.000 1.241 135 T CA -0.533 61.650 62.100 0.138 0.000 1.076 135 T CB -0.955 67.971 68.868 0.097 0.000 1.134 135 T HN 0.401 nan 8.240 nan 0.000 0.759 136 V N 0.916 120.880 119.914 0.084 0.000 3.102 136 V HA 0.587 4.707 4.120 -0.000 0.000 0.312 136 V C 0.671 176.717 176.094 -0.081 0.000 1.135 136 V CA -1.108 61.195 62.300 0.005 0.000 1.022 136 V CB 1.762 33.587 31.823 0.003 0.000 1.056 136 V HN 0.504 nan 8.190 nan 0.000 0.436 137 L N -0.245 120.918 121.223 -0.100 0.000 2.202 137 L HA 0.411 4.751 4.340 -0.000 0.000 0.205 137 L C 0.621 177.369 176.870 -0.204 0.000 1.083 137 L CA 0.923 55.695 54.840 -0.112 0.000 0.790 137 L CB 0.032 42.056 42.059 -0.058 0.000 0.942 137 L HN 0.792 nan 8.230 nan 0.000 0.452 138 E N -1.972 118.074 120.200 -0.257 0.000 2.393 138 E HA 0.415 4.765 4.350 -0.000 0.000 0.273 138 E C -1.627 174.761 176.600 -0.354 0.000 0.918 138 E CA -0.522 55.674 56.400 -0.340 0.000 0.773 138 E CB 1.665 31.184 29.700 -0.302 0.000 1.275 138 E HN -0.073 nan 8.360 nan 0.000 0.451 139 Y N 0.868 121.072 120.300 -0.160 0.000 2.331 139 Y HA 0.447 4.996 4.550 -0.000 0.000 0.338 139 Y C -0.604 175.154 175.900 -0.237 0.000 0.992 139 Y CA -1.321 56.664 58.100 -0.191 0.000 1.121 139 Y CB 1.329 39.679 38.460 -0.184 0.000 1.184 139 Y HN 0.291 nan 8.280 nan 0.000 0.469 140 L N 5.671 126.842 121.223 -0.086 0.000 2.265 140 L HA 0.492 4.832 4.340 -0.000 0.000 0.289 140 L C -1.233 175.527 176.870 -0.183 0.000 1.033 140 L CA -0.450 54.287 54.840 -0.173 0.000 0.814 140 L CB 0.245 42.162 42.059 -0.237 0.000 1.203 140 L HN 0.421 nan 8.230 nan 0.000 0.423 141 I N 6.951 127.420 120.570 -0.168 0.000 2.321 141 I HA 0.308 4.477 4.170 -0.000 0.000 0.291 141 I C -0.466 175.531 176.117 -0.200 0.000 0.998 141 I CA -0.412 60.779 61.300 -0.182 0.000 1.227 141 I CB 1.171 39.058 38.000 -0.188 0.000 1.368 141 I HN 0.563 nan 8.210 nan 0.000 0.466 142 L N 6.152 127.287 121.223 -0.147 0.000 2.345 142 L HA 0.678 5.017 4.340 -0.000 0.000 0.274 142 L C 0.049 176.914 176.870 -0.009 0.000 0.999 142 L CA -0.415 54.374 54.840 -0.084 0.000 0.849 142 L CB 1.613 43.647 42.059 -0.042 0.000 1.220 142 L HN 0.684 nan 8.230 nan 0.000 0.422 143 A N 2.411 125.237 122.820 0.010 0.000 2.356 143 A HA 0.974 5.294 4.320 -0.000 0.000 0.323 143 A C 0.299 177.948 177.584 0.110 0.000 1.119 143 A CA 0.055 52.137 52.037 0.075 0.000 0.790 143 A CB 1.553 20.628 19.000 0.124 0.000 1.273 143 A HN 0.900 nan 8.150 nan 0.000 0.452 144 G N 0.547 109.357 108.800 0.017 0.000 2.757 144 G HA2 0.016 3.976 3.960 -0.000 0.000 0.638 144 G HA3 0.016 3.976 3.960 -0.000 0.000 0.638 144 G C -1.140 173.503 174.900 -0.428 0.000 1.344 144 G CA -0.203 44.785 45.100 -0.188 0.000 0.855 144 G HN 0.831 nan 8.290 nan 0.000 0.537 145 D N 1.233 121.234 120.400 -0.664 0.000 2.472 145 D HA 0.524 5.164 4.640 -0.000 0.000 0.234 145 D C -0.077 175.829 176.300 -0.656 0.000 1.088 145 D CA 0.092 53.816 54.000 -0.460 0.000 0.882 145 D CB 0.589 41.274 40.800 -0.191 0.000 1.037 145 D HN 0.520 nan 8.370 nan 0.000 0.520 146 H N 0.169 119.169 119.070 -0.118 0.000 2.768 146 H HA 0.436 4.992 4.556 -0.000 0.000 0.371 146 H C -0.476 174.719 175.328 -0.222 0.000 1.151 146 H CA -0.869 54.955 56.048 -0.373 0.000 1.165 146 H CB 2.571 31.965 29.762 -0.614 0.000 1.722 146 H HN 0.118 nan 8.280 nan 0.000 0.543 147 L N 4.557 125.602 121.223 -0.297 0.000 2.265 147 L HA 0.401 4.741 4.340 -0.000 0.000 0.289 147 L C -1.524 175.137 176.870 -0.348 0.000 1.033 147 L CA -0.509 54.081 54.840 -0.415 0.000 0.814 147 L CB 0.063 41.840 42.059 -0.471 0.000 1.203 147 L HN 0.824 nan 8.230 nan 0.000 0.423 148 Y N 2.693 122.684 120.300 -0.515 0.000 2.687 148 Y HA 0.465 5.015 4.550 -0.000 0.000 0.338 148 Y C -1.478 174.503 175.900 0.135 0.000 1.189 148 Y CA -1.364 56.689 58.100 -0.079 0.000 1.097 148 Y CB 0.979 39.548 38.460 0.182 0.000 1.342 148 Y HN 0.541 nan 8.280 nan 0.000 0.461 149 R N 4.212 124.903 120.500 0.317 0.000 2.562 149 R HA 0.823 5.163 4.340 -0.000 0.000 0.298 149 R C -1.702 174.691 176.300 0.155 0.000 0.961 149 R CA -0.824 55.332 56.100 0.094 0.000 0.881 149 R CB 1.776 32.164 30.300 0.148 0.000 1.159 149 R HN 1.038 nan 8.270 nan 0.000 0.450 150 M N 2.932 122.487 119.600 -0.074 0.000 2.465 150 M HA 0.232 4.712 4.480 -0.000 0.000 0.284 150 M C -1.991 174.087 176.300 -0.370 0.000 1.212 150 M CA -0.713 54.559 55.300 -0.046 0.000 0.910 150 M CB 2.400 35.162 32.600 0.270 0.000 1.725 150 M HN 0.700 nan 8.290 nan 0.000 0.477 151 D N 2.812 123.092 120.400 -0.201 0.000 2.412 151 D HA 0.204 4.844 4.640 -0.000 0.000 0.224 151 D C -0.195 176.071 176.300 -0.057 0.000 1.093 151 D CA -0.084 53.805 54.000 -0.185 0.000 0.850 151 D CB 0.652 41.416 40.800 -0.059 0.000 1.046 151 D HN 0.685 nan 8.370 nan 0.000 0.507 152 Y N 2.064 122.424 120.300 0.101 0.000 2.509 152 Y HA -0.085 4.465 4.550 -0.000 0.000 0.293 152 Y C 2.203 178.174 175.900 0.118 0.000 1.133 152 Y CA 0.144 58.335 58.100 0.152 0.000 1.283 152 Y CB 0.353 38.896 38.460 0.138 0.000 1.001 152 Y HN 0.440 nan 8.280 nan 0.000 0.555 153 E N 0.942 121.251 120.200 0.183 0.000 2.038 153 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 153 E C 1.972 178.627 176.600 0.091 0.000 1.000 153 E CA 1.299 57.764 56.400 0.107 0.000 0.803 153 E CB -0.118 29.621 29.700 0.065 0.000 0.750 153 E HN 0.453 nan 8.360 nan 0.000 0.448 154 K N 0.003 120.472 120.400 0.114 0.000 2.147 154 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 154 K C 2.046 178.675 176.600 0.049 0.000 1.049 154 K CA 0.769 57.135 56.287 0.130 0.000 0.936 154 K CB -0.219 32.407 32.500 0.210 0.000 0.722 154 K HN 0.077 nan 8.250 nan 0.000 0.446 155 F N 2.284 122.073 119.950 -0.269 0.000 2.102 155 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 155 F C 1.873 177.471 175.800 -0.336 0.000 1.105 155 F CA 1.126 58.710 58.000 -0.693 0.000 1.239 155 F CB -0.161 38.608 39.000 -0.386 0.000 0.991 155 F HN -0.124 nan 8.300 nan 0.000 0.474 156 I N 0.149 120.607 120.570 -0.187 0.000 2.315 156 I HA -0.257 3.912 4.170 -0.000 0.000 0.248 156 I C 2.224 178.283 176.117 -0.097 0.000 1.117 156 I CA 1.140 62.309 61.300 -0.217 0.000 1.404 156 I CB -1.584 36.355 38.000 -0.102 0.000 1.071 156 I HN 0.312 nan 8.210 nan 0.000 0.419 157 Q N 0.901 120.675 119.800 -0.042 0.000 2.084 157 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 157 Q C 2.486 178.492 176.000 0.011 0.000 0.978 157 Q CA 1.876 57.680 55.803 0.002 0.000 0.844 157 Q CB -0.251 28.507 28.738 0.033 0.000 0.898 157 Q HN 0.540 nan 8.270 nan 0.000 0.426 158 A N 0.672 123.500 122.820 0.012 0.000 1.908 158 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 158 A C 1.789 179.379 177.584 0.010 0.000 1.181 158 A CA 1.982 54.058 52.037 0.065 0.000 0.627 158 A CB -0.871 18.245 19.000 0.193 0.000 0.818 158 A HN 0.474 nan 8.150 nan 0.000 0.445 159 H N -0.342 118.623 119.070 -0.176 0.000 2.352 159 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 159 H C 2.289 177.555 175.328 -0.102 0.000 1.097 159 H CA 2.282 58.223 56.048 -0.179 0.000 1.311 159 H CB -0.038 29.552 29.762 -0.286 0.000 1.377 159 H HN 0.463 nan 8.280 nan 0.000 0.504 160 R N 0.053 120.539 120.500 -0.022 0.000 2.062 160 R HA -0.056 4.284 4.340 -0.000 0.000 0.229 160 R C 2.311 178.573 176.300 -0.064 0.000 1.128 160 R CA 1.457 57.526 56.100 -0.052 0.000 0.960 160 R CB -0.088 30.212 30.300 0.000 0.000 0.855 160 R HN 0.536 nan 8.270 nan 0.000 0.432 161 E N -0.019 120.162 120.200 -0.031 0.000 2.265 161 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 161 E C 1.358 177.940 176.600 -0.030 0.000 0.996 161 E CA 1.570 57.959 56.400 -0.018 0.000 0.832 161 E CB 0.061 29.767 29.700 0.010 0.000 0.756 161 E HN 0.436 nan 8.360 nan 0.000 0.491 162 T N -2.391 112.130 114.554 -0.056 0.000 3.054 162 T HA 0.052 4.402 4.350 -0.000 0.000 0.255 162 T C 0.546 175.184 174.700 -0.105 0.000 1.035 162 T CA 0.215 62.280 62.100 -0.058 0.000 0.941 162 T CB 0.300 69.146 68.868 -0.037 0.000 1.026 162 T HN -0.035 nan 8.240 nan 0.000 0.533 163 D N 1.093 121.403 120.400 -0.151 0.000 2.911 163 D HA -0.167 4.473 4.640 -0.000 0.000 0.227 163 D C 0.332 176.494 176.300 -0.230 0.000 1.164 163 D CA 0.686 54.584 54.000 -0.170 0.000 0.782 163 D CB -1.471 39.274 40.800 -0.091 0.000 1.094 163 D HN 0.918 nan 8.370 nan 0.000 0.425 164 A N -0.176 122.425 122.820 -0.365 0.000 2.406 164 A HA 0.289 4.609 4.320 -0.000 0.000 0.243 164 A C 1.272 178.650 177.584 -0.343 0.000 1.082 164 A CA 0.553 52.400 52.037 -0.316 0.000 0.786 164 A CB 0.431 19.280 19.000 -0.250 0.000 1.029 164 A HN 0.219 nan 8.150 nan 0.000 0.495 165 D N -0.465 119.893 120.400 -0.071 0.000 2.338 165 D HA 0.225 4.865 4.640 -0.000 0.000 0.208 165 D C -0.007 176.413 176.300 0.201 0.000 0.997 165 D CA 1.168 55.199 54.000 0.051 0.000 0.880 165 D CB 0.301 41.133 40.800 0.053 0.000 0.980 165 D HN 0.479 nan 8.370 nan 0.000 0.509 166 I N 0.302 120.986 120.570 0.190 0.000 2.644 166 I HA 0.146 4.316 4.170 -0.000 0.000 0.291 166 I C -0.916 175.323 176.117 0.203 0.000 1.180 166 I CA -0.348 61.070 61.300 0.196 0.000 1.040 166 I CB 2.693 40.754 38.000 0.102 0.000 1.255 166 I HN -0.374 nan 8.210 nan 0.000 0.422 167 T N 4.957 119.626 114.554 0.191 0.000 2.829 167 T HA 0.608 4.958 4.350 -0.000 0.000 0.280 167 T C -0.523 174.337 174.700 0.267 0.000 0.999 167 T CA -0.560 61.638 62.100 0.164 0.000 0.983 167 T CB 2.255 71.111 68.868 -0.020 0.000 0.968 167 T HN 0.201 nan 8.240 nan 0.000 0.446 168 V N 2.342 122.493 119.914 0.395 0.000 2.444 168 V HA 0.667 4.787 4.120 -0.000 0.000 0.294 168 V C 0.386 176.739 176.094 0.431 0.000 1.022 168 V CA -1.257 61.331 62.300 0.479 0.000 0.850 168 V CB 1.361 33.429 31.823 0.408 0.000 0.992 168 V HN 1.128 nan 8.190 nan 0.000 0.426 169 A N 3.954 126.956 122.820 0.303 0.000 2.488 169 A HA 0.693 5.012 4.320 -0.000 0.000 0.249 169 A C 0.500 178.063 177.584 -0.034 0.000 1.083 169 A CA 0.381 52.444 52.037 0.042 0.000 0.768 169 A CB 0.243 19.026 19.000 -0.361 0.000 1.017 169 A HN 1.452 nan 8.150 nan 0.000 0.496 170 A N 2.613 125.419 122.820 -0.022 0.000 2.318 170 A HA 0.599 4.919 4.320 -0.000 0.000 0.317 170 A C -0.721 176.752 177.584 -0.184 0.000 1.159 170 A CA -0.487 51.485 52.037 -0.108 0.000 0.799 170 A CB 0.701 19.669 19.000 -0.053 0.000 1.194 170 A HN 1.259 nan 8.150 nan 0.000 0.479 171 L N 4.933 125.962 121.223 -0.325 0.000 2.257 171 L HA 0.561 4.901 4.340 -0.000 0.000 0.290 171 L C -2.518 174.180 176.870 -0.286 0.000 1.044 171 L CA -1.786 52.824 54.840 -0.383 0.000 0.810 171 L CB 1.207 42.822 42.059 -0.740 0.000 1.193 171 L HN 0.345 nan 8.230 nan 0.000 0.425 172 P HA 0.447 nan 4.420 nan 0.000 0.275 172 P C -1.056 176.166 177.300 -0.129 0.000 1.228 172 P CA -0.285 62.739 63.100 -0.128 0.000 0.786 172 P CB 1.004 32.647 31.700 -0.095 0.000 0.927 173 M N -0.645 118.921 119.600 -0.058 0.000 2.790 173 M HA 0.482 4.961 4.480 -0.000 0.000 0.272 173 M C -1.583 174.794 176.300 0.129 0.000 1.168 173 M CA -1.024 54.258 55.300 -0.030 0.000 0.829 173 M CB 1.681 34.188 32.600 -0.154 0.000 1.675 173 M HN 0.101 nan 8.290 nan 0.000 0.505 174 D N 0.228 120.697 120.400 0.116 0.000 2.433 174 D HA 0.171 4.811 4.640 -0.000 0.000 0.255 174 D C 0.637 177.070 176.300 0.221 0.000 1.226 174 D CA -0.204 53.923 54.000 0.211 0.000 1.015 174 D CB 0.629 41.498 40.800 0.115 0.000 1.091 174 D HN 0.890 nan 8.370 nan 0.000 0.527 175 E N -0.516 119.853 120.200 0.281 0.000 2.110 175 E HA -0.294 4.056 4.350 -0.000 0.000 0.193 175 E C 1.738 178.292 176.600 -0.078 0.000 0.988 175 E CA 1.136 57.550 56.400 0.025 0.000 0.804 175 E CB 0.022 29.840 29.700 0.196 0.000 0.745 175 E HN 0.490 nan 8.360 nan 0.000 0.458 176 K N 0.496 120.904 120.400 0.012 0.000 2.063 176 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 176 K C 2.340 178.950 176.600 0.017 0.000 1.048 176 K CA 1.504 57.798 56.287 0.012 0.000 0.928 176 K CB -0.060 32.462 32.500 0.036 0.000 0.713 176 K HN -0.018 nan 8.250 nan 0.000 0.442 177 R N -0.386 120.133 120.500 0.032 0.000 2.140 177 R HA 0.055 4.395 4.340 -0.000 0.000 0.213 177 R C 2.094 178.471 176.300 0.127 0.000 1.059 177 R CA 0.880 57.040 56.100 0.100 0.000 1.000 177 R CB -0.111 30.240 30.300 0.084 0.000 0.910 177 R HN 0.247 nan 8.270 nan 0.000 0.455 178 A N 0.670 123.451 122.820 -0.065 0.000 1.948 178 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 178 A C 2.119 179.676 177.584 -0.046 0.000 1.177 178 A CA 2.208 54.151 52.037 -0.156 0.000 0.636 178 A CB -1.144 17.432 19.000 -0.708 0.000 0.815 178 A HN 0.611 nan 8.150 nan 0.000 0.449 179 T N -2.610 111.893 114.554 -0.085 0.000 2.946 179 T HA 0.119 4.469 4.350 -0.000 0.000 0.271 179 T C 1.423 176.122 174.700 -0.001 0.000 1.104 179 T CA 1.448 63.516 62.100 -0.053 0.000 1.114 179 T CB -0.370 68.464 68.868 -0.056 0.000 0.867 179 T HN 0.656 nan 8.240 nan 0.000 0.513 180 A N -0.413 122.434 122.820 0.046 0.000 2.307 180 A HA 0.591 4.911 4.320 -0.000 0.000 0.218 180 A C 0.148 177.544 177.584 -0.313 0.000 1.228 180 A CA -0.501 51.462 52.037 -0.122 0.000 0.857 180 A CB -0.296 18.584 19.000 -0.201 0.000 0.897 180 A HN 0.505 nan 8.150 nan 0.000 0.495 181 F N -1.885 118.049 119.950 -0.025 0.000 2.631 181 F HA 0.590 5.117 4.527 -0.000 0.000 0.328 181 F C 0.922 176.726 175.800 0.007 0.000 1.067 181 F CA -0.907 57.088 58.000 -0.008 0.000 0.969 181 F CB 1.312 40.290 39.000 -0.037 0.000 1.332 181 F HN -0.009 nan 8.300 nan 0.000 0.490 182 G N 1.980 110.939 108.800 0.265 0.000 2.351 182 G HA2 0.538 4.498 3.960 -0.000 0.000 0.287 182 G HA3 0.538 4.498 3.960 -0.000 0.000 0.287 182 G C -0.945 174.073 174.900 0.196 0.000 1.159 182 G CA -0.353 44.874 45.100 0.212 0.000 0.929 182 G HN 0.436 nan 8.290 nan 0.000 0.435 183 L N 1.953 123.260 121.223 0.139 0.000 2.344 183 L HA 0.626 4.965 4.340 -0.000 0.000 0.272 183 L C 0.381 177.223 176.870 -0.046 0.000 1.035 183 L CA -0.719 54.155 54.840 0.057 0.000 0.807 183 L CB 1.892 43.983 42.059 0.054 0.000 1.237 183 L HN 0.329 nan 8.230 nan 0.000 0.442 184 M N 1.736 121.240 119.600 -0.160 0.000 2.530 184 M HA 0.467 4.947 4.480 -0.000 0.000 0.307 184 M C -0.863 175.299 176.300 -0.231 0.000 1.161 184 M CA -0.606 54.450 55.300 -0.407 0.000 0.903 184 M CB 2.668 34.955 32.600 -0.522 0.000 1.711 184 M HN 0.344 nan 8.290 nan 0.000 0.451 185 K N 3.099 123.349 120.400 -0.250 0.000 2.292 185 K HA 0.775 5.095 4.320 -0.000 0.000 0.257 185 K C -1.464 175.055 176.600 -0.134 0.000 0.940 185 K CA -0.580 55.627 56.287 -0.132 0.000 0.811 185 K CB 1.422 33.875 32.500 -0.078 0.000 1.120 185 K HN 0.745 nan 8.250 nan 0.000 0.428 186 I N 0.130 120.644 120.570 -0.093 0.000 2.797 186 I HA 0.521 4.691 4.170 -0.000 0.000 0.307 186 I C -0.312 175.777 176.117 -0.047 0.000 1.033 186 I CA -1.093 60.165 61.300 -0.070 0.000 1.071 186 I CB 1.653 39.616 38.000 -0.062 0.000 1.255 186 I HN 0.632 nan 8.210 nan 0.000 0.445 187 D N 2.848 123.229 120.400 -0.032 0.000 2.447 187 D HA 0.022 4.662 4.640 -0.000 0.000 0.265 187 D C 0.908 177.192 176.300 -0.026 0.000 1.250 187 D CA -0.229 53.756 54.000 -0.024 0.000 1.046 187 D CB 0.342 41.135 40.800 -0.013 0.000 1.095 187 D HN 0.716 nan 8.370 nan 0.000 0.555 188 E N -0.385 119.801 120.200 -0.023 0.000 2.472 188 E HA -0.211 4.139 4.350 -0.000 0.000 0.200 188 E C 0.347 176.934 176.600 -0.021 0.000 1.046 188 E CA 1.033 57.419 56.400 -0.025 0.000 0.871 188 E CB -0.452 29.234 29.700 -0.022 0.000 0.806 188 E HN 0.736 nan 8.360 nan 0.000 0.533 189 E N -0.177 120.013 120.200 -0.016 0.000 2.501 189 E HA 0.263 4.613 4.350 -0.000 0.000 0.201 189 E C 0.525 177.121 176.600 -0.006 0.000 1.016 189 E CA 0.173 56.567 56.400 -0.011 0.000 0.920 189 E CB 0.598 30.295 29.700 -0.006 0.000 1.023 189 E HN 0.416 nan 8.360 nan 0.000 0.474 190 G N 2.842 111.635 108.800 -0.012 0.000 2.157 190 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.248 190 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.248 190 G C 0.321 175.225 174.900 0.007 0.000 0.979 190 G CA 0.234 45.330 45.100 -0.006 0.000 0.650 190 G HN 0.267 nan 8.290 nan 0.000 0.529 191 R N 0.394 120.897 120.500 0.004 0.000 2.340 191 R HA 0.594 4.934 4.340 -0.000 0.000 0.300 191 R C 0.540 176.840 176.300 -0.001 0.000 1.069 191 R CA -0.679 55.430 56.100 0.014 0.000 0.984 191 R CB 0.196 30.505 30.300 0.015 0.000 1.003 191 R HN 0.249 nan 8.270 nan 0.000 0.459 192 I N 6.707 127.282 120.570 0.007 0.000 2.529 192 I HA 0.068 4.238 4.170 -0.000 0.000 0.284 192 I C 1.227 177.345 176.117 0.001 0.000 1.082 192 I CA 0.142 61.415 61.300 -0.044 0.000 1.406 192 I CB 1.135 39.095 38.000 -0.066 0.000 1.405 192 I HN 0.728 nan 8.210 nan 0.000 0.548 193 I N 1.380 121.930 120.570 -0.033 0.000 4.442 193 I HA 0.498 4.668 4.170 -0.000 0.000 0.331 193 I C 0.122 176.261 176.117 0.037 0.000 1.364 193 I CA -0.064 61.249 61.300 0.021 0.000 1.207 193 I CB 0.548 38.553 38.000 0.008 0.000 1.298 193 I HN 0.584 nan 8.210 nan 0.000 0.463 194 E N 0.824 121.005 120.200 -0.031 0.000 2.388 194 E HA 0.479 4.829 4.350 -0.000 0.000 0.282 194 E C -1.998 174.532 176.600 -0.116 0.000 1.026 194 E CA -0.568 55.855 56.400 0.038 0.000 0.820 194 E CB 2.199 31.912 29.700 0.021 0.000 1.226 194 E HN 0.068 nan 8.360 nan 0.000 0.432 195 F N 0.876 120.837 119.950 0.019 0.000 2.579 195 F HA 0.837 5.364 4.527 -0.000 0.000 0.324 195 F C -0.106 175.707 175.800 0.023 0.000 1.058 195 F CA -0.442 57.571 58.000 0.023 0.000 0.944 195 F CB 2.456 41.463 39.000 0.012 0.000 1.245 195 F HN 0.453 nan 8.300 nan 0.000 0.477 196 A N 1.743 124.693 122.820 0.217 0.000 2.497 196 A HA 0.548 4.868 4.320 -0.000 0.000 0.280 196 A C -1.396 176.263 177.584 0.125 0.000 1.065 196 A CA -0.623 51.492 52.037 0.131 0.000 0.781 196 A CB 1.034 20.083 19.000 0.081 0.000 1.289 196 A HN 0.596 nan 8.150 nan 0.000 0.415 197 E N 2.290 122.552 120.200 0.102 0.000 2.217 197 E HA 0.331 4.681 4.350 -0.000 0.000 0.279 197 E C -0.157 176.473 176.600 0.051 0.000 1.068 197 E CA 0.289 56.739 56.400 0.083 0.000 0.882 197 E CB -0.101 29.633 29.700 0.056 0.000 1.039 197 E HN 0.461 nan 8.360 nan 0.000 0.418 198 K N 3.709 124.139 120.400 0.050 0.000 3.490 198 K HA -0.167 4.153 4.320 -0.000 0.000 0.273 198 K C -2.204 174.398 176.600 0.003 0.000 0.916 198 K CA 0.587 56.885 56.287 0.018 0.000 0.718 198 K CB -1.275 31.222 32.500 -0.005 0.000 1.477 198 K HN 0.537 nan 8.250 nan 0.000 0.452 199 P HA 0.067 nan 4.420 nan 0.000 0.274 199 P C -0.407 176.872 177.300 -0.034 0.000 1.237 199 P CA -0.004 63.090 63.100 -0.009 0.000 0.793 199 P CB 0.994 32.695 31.700 0.002 0.000 0.977 200 Q N -0.694 119.094 119.800 -0.021 0.000 2.615 200 Q HA 0.491 4.831 4.340 -0.000 0.000 0.298 200 Q C 0.623 176.618 176.000 -0.007 0.000 1.023 200 Q CA -0.585 55.203 55.803 -0.024 0.000 0.768 200 Q CB 1.717 30.445 28.738 -0.017 0.000 1.500 200 Q HN 0.697 nan 8.270 nan 0.000 0.441 201 G N 1.036 109.834 108.800 -0.002 0.000 2.698 201 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.337 201 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.337 201 G C 0.709 175.622 174.900 0.021 0.000 1.286 201 G CA 1.150 46.257 45.100 0.011 0.000 1.000 201 G HN 0.768 nan 8.290 nan 0.000 0.547 202 E N -0.228 119.985 120.200 0.022 0.000 2.051 202 E HA -0.191 4.158 4.350 -0.000 0.000 0.192 202 E C 2.592 179.213 176.600 0.034 0.000 0.991 202 E CA 1.306 57.723 56.400 0.028 0.000 0.799 202 E CB -0.193 29.521 29.700 0.023 0.000 0.748 202 E HN 0.611 nan 8.360 nan 0.000 0.449 203 Q N 0.727 120.544 119.800 0.028 0.000 2.170 203 Q HA -0.154 4.186 4.340 -0.000 0.000 0.203 203 Q C 2.230 178.255 176.000 0.042 0.000 0.976 203 Q CA 0.683 56.506 55.803 0.033 0.000 0.858 203 Q CB 0.061 28.815 28.738 0.027 0.000 0.907 203 Q HN 0.323 nan 8.270 nan 0.000 0.433 204 L N 0.201 121.442 121.223 0.031 0.000 2.007 204 L HA -0.216 4.124 4.340 -0.000 0.000 0.205 204 L C 2.347 179.300 176.870 0.139 0.000 1.073 204 L CA 1.276 56.132 54.840 0.027 0.000 0.744 204 L CB -0.401 41.631 42.059 -0.044 0.000 0.898 204 L HN 0.324 nan 8.230 nan 0.000 0.435 205 Q N 0.141 120.017 119.800 0.127 0.000 2.133 205 Q HA -0.247 4.093 4.340 -0.000 0.000 0.208 205 Q C 2.020 178.097 176.000 0.130 0.000 0.991 205 Q CA 1.895 57.789 55.803 0.152 0.000 0.867 205 Q CB -0.730 28.061 28.738 0.087 0.000 0.911 205 Q HN 0.619 nan 8.270 nan 0.000 0.417 206 A N -0.207 122.668 122.820 0.092 0.000 2.248 206 A HA -0.057 4.263 4.320 -0.000 0.000 0.210 206 A C 1.539 179.168 177.584 0.075 0.000 1.174 206 A CA 0.740 52.816 52.037 0.064 0.000 0.750 206 A CB -0.148 18.881 19.000 0.047 0.000 0.780 206 A HN 0.178 nan 8.150 nan 0.000 0.478 207 M N -0.467 119.220 119.600 0.144 0.000 2.333 207 M HA 0.185 4.665 4.480 -0.000 0.000 0.257 207 M C 0.152 176.539 176.300 0.146 0.000 1.078 207 M CA 0.149 55.547 55.300 0.162 0.000 1.005 207 M CB -0.448 32.276 32.600 0.208 0.000 1.444 207 M HN 0.178 nan 8.290 nan 0.000 0.496 208 K N 1.860 122.279 120.400 0.031 0.000 2.436 208 K HA 0.273 4.593 4.320 -0.000 0.000 0.275 208 K C 0.091 176.575 176.600 -0.194 0.000 0.999 208 K CA 0.111 56.215 56.287 -0.304 0.000 0.980 208 K CB 0.945 33.265 32.500 -0.300 0.000 0.919 208 K HN 0.117 nan 8.250 nan 0.000 0.484 209 V N -1.378 118.389 119.914 -0.244 0.000 3.182 209 V HA 0.363 4.483 4.120 -0.000 0.000 0.308 209 V C -1.361 174.635 176.094 -0.163 0.000 1.240 209 V CA -1.086 61.122 62.300 -0.155 0.000 1.063 209 V CB 2.092 33.845 31.823 -0.116 0.000 1.076 209 V HN 0.711 nan 8.190 nan 0.000 0.446 210 D N 0.671 121.000 120.400 -0.118 0.000 2.467 210 D HA 0.430 5.070 4.640 -0.000 0.000 0.220 210 D C 1.225 177.467 176.300 -0.097 0.000 1.103 210 D CA 0.425 54.361 54.000 -0.106 0.000 0.886 210 D CB 1.239 41.990 40.800 -0.082 0.000 1.025 210 D HN 0.759 nan 8.370 nan 0.000 0.514 211 T N 0.557 115.047 114.554 -0.108 0.000 2.803 211 T HA -0.257 4.093 4.350 -0.000 0.000 0.269 211 T C 2.036 176.685 174.700 -0.085 0.000 1.052 211 T CA 1.779 63.820 62.100 -0.098 0.000 1.136 211 T CB -0.743 68.065 68.868 -0.101 0.000 0.864 211 T HN 0.610 nan 8.240 nan 0.000 0.467 212 T N 1.457 115.964 114.554 -0.078 0.000 2.802 212 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 212 T C 1.897 176.558 174.700 -0.064 0.000 1.062 212 T CA 1.050 63.109 62.100 -0.068 0.000 1.133 212 T CB -1.041 67.791 68.868 -0.059 0.000 0.852 212 T HN 0.465 nan 8.240 nan 0.000 0.485 213 I N 0.756 121.288 120.570 -0.064 0.000 2.248 213 I HA -0.111 4.059 4.170 -0.000 0.000 0.248 213 I C 2.172 178.254 176.117 -0.059 0.000 1.107 213 I CA 1.430 62.697 61.300 -0.055 0.000 1.373 213 I CB -0.343 37.626 38.000 -0.052 0.000 1.055 213 I HN 0.288 nan 8.210 nan 0.000 0.418 214 L N -0.329 120.850 121.223 -0.074 0.000 2.592 214 L HA 0.252 4.592 4.340 -0.000 0.000 0.227 214 L C 1.502 178.303 176.870 -0.116 0.000 1.127 214 L CA 0.626 55.411 54.840 -0.092 0.000 0.884 214 L CB 0.049 42.047 42.059 -0.101 0.000 1.065 214 L HN 0.478 nan 8.230 nan 0.000 0.457 215 G N -0.516 108.226 108.800 -0.096 0.000 2.260 215 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.179 215 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.179 215 G C 0.157 175.003 174.900 -0.091 0.000 1.002 215 G CA -0.665 44.377 45.100 -0.097 0.000 0.677 215 G HN 0.056 nan 8.290 nan 0.000 0.486 216 L N 2.897 124.066 121.223 -0.090 0.000 2.456 216 L HA 0.251 4.591 4.340 -0.000 0.000 0.272 216 L C 0.729 177.559 176.870 -0.066 0.000 1.189 216 L CA -0.115 54.676 54.840 -0.080 0.000 0.846 216 L CB 0.429 42.439 42.059 -0.082 0.000 1.111 216 L HN 0.492 nan 8.230 nan 0.000 0.475 217 D N 2.458 122.823 120.400 -0.058 0.000 2.382 217 D HA -0.069 4.571 4.640 -0.000 0.000 0.240 217 D C 0.185 176.456 176.300 -0.047 0.000 1.146 217 D CA -0.577 53.394 54.000 -0.048 0.000 0.897 217 D CB 1.138 41.913 40.800 -0.041 0.000 1.197 217 D HN 0.452 nan 8.370 nan 0.000 0.432 218 D N 1.066 121.440 120.400 -0.043 0.000 2.158 218 D HA -0.225 4.414 4.640 -0.000 0.000 0.197 218 D C 1.699 177.975 176.300 -0.040 0.000 0.995 218 D CA 1.304 55.279 54.000 -0.042 0.000 0.846 218 D CB -0.076 40.703 40.800 -0.036 0.000 0.941 218 D HN 0.574 nan 8.370 nan 0.000 0.456 219 K N 0.942 121.322 120.400 -0.034 0.000 2.002 219 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 219 K C 2.290 178.870 176.600 -0.032 0.000 1.048 219 K CA 0.981 57.250 56.287 -0.030 0.000 0.930 219 K CB 0.117 32.604 32.500 -0.023 0.000 0.714 219 K HN -0.031 nan 8.250 nan 0.000 0.438 220 R N 0.112 120.591 120.500 -0.035 0.000 2.070 220 R HA -0.083 4.257 4.340 -0.000 0.000 0.233 220 R C 2.459 178.730 176.300 -0.048 0.000 1.137 220 R CA 1.321 57.399 56.100 -0.036 0.000 0.945 220 R CB -0.524 29.753 30.300 -0.039 0.000 0.845 220 R HN 0.286 nan 8.270 nan 0.000 0.430 221 A N 1.760 124.544 122.820 -0.059 0.000 1.915 221 A HA -0.318 4.002 4.320 -0.000 0.000 0.220 221 A C 2.091 179.625 177.584 -0.083 0.000 1.198 221 A CA 2.043 54.035 52.037 -0.076 0.000 0.647 221 A CB -0.598 18.356 19.000 -0.076 0.000 0.825 221 A HN 0.318 nan 8.150 nan 0.000 0.456 222 K N 0.176 120.536 120.400 -0.067 0.000 2.057 222 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 222 K C 2.014 178.578 176.600 -0.061 0.000 1.049 222 K CA 1.798 58.044 56.287 -0.068 0.000 0.931 222 K CB -0.253 32.218 32.500 -0.049 0.000 0.714 222 K HN 0.803 nan 8.250 nan 0.000 0.440 223 E N -0.263 119.913 120.200 -0.040 0.000 2.274 223 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 223 E C 0.259 176.854 176.600 -0.009 0.000 0.996 223 E CA 0.616 57.006 56.400 -0.017 0.000 0.840 223 E CB 0.007 29.703 29.700 -0.006 0.000 0.772 223 E HN 0.272 nan 8.360 nan 0.000 0.491 224 M N 1.746 121.324 119.600 -0.037 0.000 1.986 224 M HA 0.253 4.733 4.480 -0.000 0.000 0.247 224 M C -2.292 173.940 176.300 -0.113 0.000 0.851 224 M CA -1.645 53.641 55.300 -0.024 0.000 0.785 224 M CB 2.283 34.870 32.600 -0.022 0.000 1.554 224 M HN -0.140 nan 8.290 nan 0.000 0.361 225 P HA 0.117 nan 4.420 nan 0.000 0.257 225 P C -0.638 176.250 177.300 -0.687 0.000 1.281 225 P CA 0.478 63.270 63.100 -0.514 0.000 0.826 225 P CB -0.052 31.236 31.700 -0.687 0.000 1.237 226 F N 1.214 121.118 119.950 -0.075 0.000 2.561 226 F HA 0.533 5.060 4.527 -0.000 0.000 0.321 226 F C 0.720 176.444 175.800 -0.126 0.000 1.065 226 F CA -1.526 56.421 58.000 -0.088 0.000 0.934 226 F CB 1.609 40.565 39.000 -0.073 0.000 1.215 226 F HN -0.303 nan 8.300 nan 0.000 0.471 227 I N 0.391 120.993 120.570 0.055 0.000 2.533 227 I HA 0.922 5.092 4.170 -0.000 0.000 0.290 227 I C -0.936 175.128 176.117 -0.087 0.000 1.056 227 I CA -0.956 60.305 61.300 -0.066 0.000 1.057 227 I CB 1.777 39.726 38.000 -0.085 0.000 1.240 227 I HN 0.620 nan 8.210 nan 0.000 0.423 228 A N 3.889 126.596 122.820 -0.188 0.000 2.311 228 A HA 0.826 5.146 4.320 -0.000 0.000 0.334 228 A C 0.109 177.605 177.584 -0.146 0.000 1.139 228 A CA -0.570 51.369 52.037 -0.163 0.000 0.830 228 A CB 1.314 20.106 19.000 -0.348 0.000 1.234 228 A HN 0.901 nan 8.150 nan 0.000 0.483 229 S N 0.433 116.140 115.700 0.011 0.000 2.601 229 S HA 0.513 4.983 4.470 -0.000 0.000 0.271 229 S C 0.254 174.800 174.600 -0.090 0.000 1.305 229 S CA -0.352 57.889 58.200 0.067 0.000 1.022 229 S CB 0.684 64.076 63.200 0.320 0.000 0.940 229 S HN 0.575 nan 8.310 nan 0.000 0.525 230 M N 1.162 120.619 119.600 -0.239 0.000 2.416 230 M HA 0.347 4.827 4.480 -0.000 0.000 0.337 230 M C 1.225 177.350 176.300 -0.292 0.000 1.074 230 M CA 0.121 55.153 55.300 -0.447 0.000 0.968 230 M CB 0.562 32.617 32.600 -0.908 0.000 1.472 230 M HN 1.097 nan 8.290 nan 0.000 0.539 231 G N 2.045 110.668 108.800 -0.296 0.000 2.143 231 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.248 231 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.248 231 G C -0.083 174.342 174.900 -0.792 0.000 0.991 231 G CA -0.093 44.766 45.100 -0.402 0.000 0.689 231 G HN 0.512 nan 8.290 nan 0.000 0.522 232 I N 0.551 120.557 120.570 -0.940 0.000 2.420 232 I HA 0.533 4.703 4.170 -0.000 0.000 0.282 232 I C -0.297 175.510 176.117 -0.516 0.000 1.019 232 I CA -1.090 59.836 61.300 -0.623 0.000 1.130 232 I CB 0.946 38.703 38.000 -0.406 0.000 1.262 232 I HN 0.114 nan 8.210 nan 0.000 0.454 233 Y N 4.332 124.663 120.300 0.052 0.000 2.545 233 Y HA 0.691 5.241 4.550 -0.000 0.000 0.348 233 Y C -0.360 175.495 175.900 -0.075 0.000 1.002 233 Y CA -1.416 56.717 58.100 0.055 0.000 1.039 233 Y CB 1.788 40.181 38.460 -0.112 0.000 1.271 233 Y HN 0.044 nan 8.280 nan 0.000 0.467 234 V N 3.930 123.792 119.914 -0.087 0.000 2.409 234 V HA 0.503 4.623 4.120 -0.000 0.000 0.291 234 V C -0.437 175.435 176.094 -0.370 0.000 1.020 234 V CA -0.696 61.347 62.300 -0.430 0.000 0.848 234 V CB 1.281 32.554 31.823 -0.917 0.000 0.990 234 V HN 0.598 nan 8.190 nan 0.000 0.430 235 I N 2.762 123.171 120.570 -0.268 0.000 2.533 235 I HA 0.393 4.563 4.170 -0.000 0.000 0.290 235 I C 0.268 176.323 176.117 -0.103 0.000 1.056 235 I CA -0.377 60.868 61.300 -0.092 0.000 1.057 235 I CB 2.446 40.458 38.000 0.019 0.000 1.240 235 I HN 0.510 nan 8.210 nan 0.000 0.423 236 S N 4.543 120.258 115.700 0.024 0.000 2.572 236 S HA 0.053 4.523 4.470 -0.000 0.000 0.279 236 S C 1.177 175.721 174.600 -0.094 0.000 1.341 236 S CA -0.421 57.777 58.200 -0.004 0.000 1.043 236 S CB 1.270 64.531 63.200 0.101 0.000 0.887 236 S HN 0.671 nan 8.310 nan 0.000 0.516 237 K N 1.762 122.017 120.400 -0.241 0.000 2.020 237 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 237 K C 0.926 177.523 176.600 -0.005 0.000 1.050 237 K CA 1.995 58.097 56.287 -0.309 0.000 0.929 237 K CB -0.167 32.146 32.500 -0.313 0.000 0.714 237 K HN 0.586 nan 8.250 nan 0.000 0.443 238 D N 0.194 120.604 120.400 0.016 0.000 2.117 238 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 238 D C 2.059 178.413 176.300 0.089 0.000 0.982 238 D CA 0.996 55.035 54.000 0.064 0.000 0.828 238 D CB -0.302 40.524 40.800 0.043 0.000 0.967 238 D HN 0.072 nan 8.370 nan 0.000 0.464 239 V N 1.406 121.369 119.914 0.082 0.000 2.324 239 V HA -0.304 3.816 4.120 -0.000 0.000 0.250 239 V C 2.491 178.675 176.094 0.150 0.000 1.060 239 V CA 1.731 64.094 62.300 0.105 0.000 1.042 239 V CB -0.467 31.417 31.823 0.101 0.000 0.650 239 V HN 0.142 nan 8.190 nan 0.000 0.450 240 M N -0.312 119.404 119.600 0.193 0.000 2.086 240 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 240 M C 1.887 178.328 176.300 0.235 0.000 1.067 240 M CA 1.940 57.403 55.300 0.271 0.000 1.116 240 M CB -0.588 32.273 32.600 0.435 0.000 1.348 240 M HN 0.285 nan 8.290 nan 0.000 0.407 241 L N 0.548 121.903 121.223 0.220 0.000 2.012 241 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 241 L C 2.075 179.018 176.870 0.121 0.000 1.073 241 L CA 2.314 57.259 54.840 0.174 0.000 0.748 241 L CB -1.380 40.774 42.059 0.159 0.000 0.891 241 L HN 0.544 nan 8.230 nan 0.000 0.431 242 N N -0.778 117.985 118.700 0.105 0.000 2.120 242 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 242 N C 1.814 177.362 175.510 0.063 0.000 1.024 242 N CA 1.812 54.901 53.050 0.066 0.000 0.852 242 N CB -0.259 38.263 38.487 0.057 0.000 1.003 242 N HN 0.456 nan 8.380 nan 0.000 0.424 243 L N -0.145 121.153 121.223 0.125 0.000 2.005 243 L HA -0.085 4.254 4.340 -0.000 0.000 0.207 243 L C 2.195 179.168 176.870 0.171 0.000 1.072 243 L CA 0.861 55.816 54.840 0.192 0.000 0.744 243 L CB -0.423 41.786 42.059 0.250 0.000 0.895 243 L HN 0.222 nan 8.230 nan 0.000 0.433 244 L N -0.848 120.451 121.223 0.127 0.000 2.156 244 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 244 L C 2.717 179.617 176.870 0.051 0.000 1.095 244 L CA 1.030 55.914 54.840 0.072 0.000 0.770 244 L CB -0.381 41.715 42.059 0.061 0.000 0.914 244 L HN 0.278 nan 8.230 nan 0.000 0.439 245 R N -0.450 120.081 120.500 0.052 0.000 2.123 245 R HA -0.042 4.298 4.340 -0.000 0.000 0.209 245 R C 1.486 177.783 176.300 -0.006 0.000 1.078 245 R CA 0.814 56.932 56.100 0.029 0.000 1.028 245 R CB 0.345 30.673 30.300 0.047 0.000 0.939 245 R HN 0.264 nan 8.270 nan 0.000 0.463 246 D N 0.073 120.459 120.400 -0.024 0.000 2.414 246 D HA -0.018 4.622 4.640 -0.000 0.000 0.237 246 D C 1.565 177.760 176.300 -0.175 0.000 0.975 246 D CA 0.603 54.559 54.000 -0.072 0.000 0.917 246 D CB 0.201 40.970 40.800 -0.052 0.000 1.061 246 D HN -0.018 nan 8.370 nan 0.000 0.480 247 K N 0.283 120.520 120.400 -0.271 0.000 2.098 247 K HA 0.079 4.399 4.320 -0.000 0.000 0.203 247 K C 0.564 176.555 176.600 -1.015 0.000 1.051 247 K CA 0.510 56.382 56.287 -0.692 0.000 0.957 247 K CB -0.084 31.884 32.500 -0.886 0.000 0.738 247 K HN 0.174 nan 8.250 nan 0.000 0.447 248 F N 1.670 121.605 119.950 -0.025 0.000 2.542 248 F HA 0.238 4.766 4.527 0.001 0.000 0.323 248 F C -1.706 174.065 175.800 -0.048 0.000 1.411 248 F CA -1.783 56.192 58.000 -0.043 0.000 1.124 248 F CB 1.299 40.261 39.000 -0.065 0.000 1.331 248 F HN -0.082 nan 8.300 nan 0.000 0.560 249 P HA -0.074 nan 4.420 nan 0.000 0.228 249 P C 1.328 178.644 177.300 0.026 0.000 1.151 249 P CA 1.123 64.234 63.100 0.018 0.000 0.770 249 P CB 0.373 32.069 31.700 -0.007 0.000 0.786 250 G N -0.767 108.061 108.800 0.047 0.000 3.044 250 G HA2 0.348 4.308 3.960 -0.000 0.000 0.223 250 G HA3 0.348 4.308 3.960 -0.000 0.000 0.223 250 G C 0.608 175.521 174.900 0.021 0.000 1.123 250 G CA 0.235 45.354 45.100 0.033 0.000 0.765 250 G HN 0.430 nan 8.290 nan 0.000 0.546 251 A N 0.660 123.496 122.820 0.026 0.000 2.462 251 A HA 0.379 4.699 4.320 -0.000 0.000 0.243 251 A C 1.091 178.620 177.584 -0.091 0.000 1.076 251 A CA -0.097 51.913 52.037 -0.046 0.000 0.773 251 A CB 0.361 19.300 19.000 -0.101 0.000 1.010 251 A HN 0.263 nan 8.150 nan 0.000 0.493 252 N N 0.291 118.938 118.700 -0.089 0.000 2.414 252 N HA 0.011 4.751 4.740 -0.000 0.000 0.177 252 N C -0.411 175.034 175.510 -0.108 0.000 1.062 252 N CA 0.335 53.341 53.050 -0.074 0.000 0.890 252 N CB 0.549 39.024 38.487 -0.020 0.000 1.070 252 N HN 0.826 nan 8.380 nan 0.000 0.454 253 D N -0.679 119.647 120.400 -0.124 0.000 2.498 253 D HA 0.154 4.794 4.640 -0.000 0.000 0.247 253 D C 0.197 176.405 176.300 -0.152 0.000 1.070 253 D CA -0.561 53.386 54.000 -0.090 0.000 0.842 253 D CB 1.506 42.297 40.800 -0.016 0.000 1.361 253 D HN -0.262 nan 8.370 nan 0.000 0.484 254 F N 2.213 122.125 119.950 -0.063 0.000 2.039 254 F HA 0.045 4.572 4.527 -0.000 0.000 0.294 254 F C 2.586 178.227 175.800 -0.266 0.000 1.130 254 F CA 1.805 59.704 58.000 -0.169 0.000 1.189 254 F CB -0.618 38.306 39.000 -0.127 0.000 0.983 254 F HN 0.605 nan 8.300 nan 0.000 0.471 255 G N -1.514 107.352 108.800 0.110 0.000 2.470 255 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 255 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 255 G C 1.519 176.363 174.900 -0.092 0.000 1.121 255 G CA 1.212 46.328 45.100 0.027 0.000 0.766 255 G HN 0.465 nan 8.290 nan 0.000 0.553 256 S N -1.548 114.104 115.700 -0.081 0.000 2.505 256 S HA 0.302 4.771 4.470 -0.000 0.000 0.216 256 S C 1.450 175.937 174.600 -0.189 0.000 1.018 256 S CA 0.472 58.610 58.200 -0.104 0.000 0.911 256 S CB 0.492 63.675 63.200 -0.028 0.000 0.818 256 S HN 0.452 nan 8.310 nan 0.000 0.497 257 E N 0.667 120.724 120.200 -0.238 0.000 2.870 257 E HA 0.213 4.563 4.350 -0.000 0.000 0.185 257 E C 1.713 178.019 176.600 -0.490 0.000 1.084 257 E CA 0.475 56.689 56.400 -0.311 0.000 1.246 257 E CB 0.026 29.587 29.700 -0.231 0.000 1.382 257 E HN 0.169 nan 8.360 nan 0.000 0.492 258 V N 2.167 121.817 119.914 -0.440 0.000 2.343 258 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 258 V C 2.245 178.095 176.094 -0.407 0.000 1.051 258 V CA 1.608 63.626 62.300 -0.471 0.000 1.036 258 V CB -0.426 31.215 31.823 -0.304 0.000 0.654 258 V HN 0.266 nan 8.190 nan 0.000 0.451 259 I N -0.269 120.072 120.570 -0.382 0.000 2.333 259 I HA -0.075 4.095 4.170 -0.000 0.000 0.246 259 I C -0.338 175.436 176.117 -0.571 0.000 1.106 259 I CA 1.186 62.236 61.300 -0.417 0.000 1.411 259 I CB -1.227 36.491 38.000 -0.470 0.000 1.082 259 I HN 0.355 nan 8.210 nan 0.000 0.420 260 P HA -0.072 nan 4.420 nan 0.000 0.221 260 P C 1.587 178.701 177.300 -0.310 0.000 1.150 260 P CA 1.258 63.960 63.100 -0.663 0.000 0.800 260 P CB -0.110 31.241 31.700 -0.581 0.000 0.787 261 G N 0.635 109.151 108.800 -0.474 0.000 2.453 261 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.215 261 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.215 261 G C 1.679 176.505 174.900 -0.123 0.000 1.201 261 G CA 0.942 45.704 45.100 -0.564 0.000 0.784 261 G HN 0.272 nan 8.290 nan 0.000 0.545 262 A N 0.245 123.007 122.820 -0.096 0.000 1.948 262 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 262 A C 2.524 180.163 177.584 0.091 0.000 1.177 262 A CA 2.666 54.762 52.037 0.099 0.000 0.636 262 A CB -1.034 18.003 19.000 0.063 0.000 0.815 262 A HN 0.339 nan 8.150 nan 0.000 0.449 263 T N -0.822 113.768 114.554 0.060 0.000 2.777 263 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 263 T C 2.220 176.983 174.700 0.106 0.000 1.040 263 T CA 1.589 63.761 62.100 0.120 0.000 1.141 263 T CB -0.369 68.637 68.868 0.229 0.000 0.868 263 T HN 0.512 nan 8.240 nan 0.000 0.444 264 S N 0.649 116.402 115.700 0.089 0.000 2.419 264 S HA 0.033 4.503 4.470 -0.000 0.000 0.235 264 S C 1.801 176.466 174.600 0.107 0.000 1.019 264 S CA 0.730 58.987 58.200 0.094 0.000 0.982 264 S CB -0.449 62.803 63.200 0.087 0.000 0.789 264 S HN 0.426 nan 8.310 nan 0.000 0.490 265 L N 0.120 121.422 121.223 0.133 0.000 2.492 265 L HA 0.218 4.557 4.340 -0.000 0.000 0.223 265 L C 1.769 178.688 176.870 0.081 0.000 1.132 265 L CA 0.573 55.483 54.840 0.116 0.000 0.850 265 L CB -0.381 41.765 42.059 0.145 0.000 0.966 265 L HN 0.560 nan 8.230 nan 0.000 0.454 266 G N -0.338 108.510 108.800 0.079 0.000 2.144 266 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 266 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 266 G C 0.281 175.216 174.900 0.058 0.000 0.988 266 G CA -0.215 44.922 45.100 0.061 0.000 0.659 266 G HN 0.174 nan 8.290 nan 0.000 0.522 267 M N -0.257 119.385 119.600 0.071 0.000 2.198 267 M HA 0.281 4.761 4.480 -0.000 0.000 0.315 267 M C 1.101 177.436 176.300 0.058 0.000 1.134 267 M CA -0.203 55.134 55.300 0.063 0.000 1.171 267 M CB 0.515 33.162 32.600 0.078 0.000 1.413 267 M HN 0.187 nan 8.290 nan 0.000 0.467 268 R N 1.530 122.054 120.500 0.040 0.000 2.272 268 R HA 0.338 4.678 4.340 -0.000 0.000 0.334 268 R C -1.762 174.568 176.300 0.050 0.000 1.117 268 R CA -0.190 55.928 56.100 0.031 0.000 0.966 268 R CB 0.050 30.348 30.300 -0.004 0.000 1.049 268 R HN 0.508 nan 8.270 nan 0.000 0.477 269 V N 5.091 125.054 119.914 0.081 0.000 2.313 269 V HA 0.195 4.315 4.120 -0.000 0.000 0.278 269 V C -0.252 175.908 176.094 0.110 0.000 1.017 269 V CA -0.660 61.713 62.300 0.121 0.000 0.823 269 V CB 1.223 33.154 31.823 0.179 0.000 1.010 269 V HN 0.681 nan 8.190 nan 0.000 0.443 270 Q N 3.364 123.230 119.800 0.111 0.000 2.282 270 Q HA 0.759 5.099 4.340 -0.000 0.000 0.260 270 Q C -0.187 175.910 176.000 0.160 0.000 0.964 270 Q CA -0.166 55.701 55.803 0.107 0.000 0.880 270 Q CB 1.900 30.687 28.738 0.082 0.000 1.286 270 Q HN 0.905 nan 8.270 nan 0.000 0.445 271 A N 3.245 126.145 122.820 0.134 0.000 2.316 271 A HA 0.532 4.852 4.320 -0.000 0.000 0.284 271 A C -1.646 176.086 177.584 0.247 0.000 1.115 271 A CA -0.225 51.908 52.037 0.160 0.000 0.812 271 A CB 0.412 19.445 19.000 0.056 0.000 1.064 271 A HN 0.747 nan 8.150 nan 0.000 0.489 272 Y N 1.981 122.378 120.300 0.162 0.000 2.354 272 Y HA 0.478 5.028 4.550 -0.000 0.000 0.330 272 Y C -0.667 175.291 175.900 0.097 0.000 1.011 272 Y CA -1.003 57.213 58.100 0.194 0.000 1.099 272 Y CB 1.416 40.150 38.460 0.457 0.000 1.179 272 Y HN 0.746 nan 8.280 nan 0.000 0.442 273 L N 6.891 127.896 121.223 -0.363 0.000 2.456 273 L HA 0.235 4.574 4.340 -0.000 0.000 0.272 273 L C -1.533 175.187 176.870 -0.250 0.000 1.189 273 L CA 0.101 54.779 54.840 -0.270 0.000 0.846 273 L CB 0.180 42.069 42.059 -0.283 0.000 1.111 273 L HN 0.672 nan 8.230 nan 0.000 0.475 274 Y N 4.422 124.585 120.300 -0.228 0.000 2.328 274 Y HA 0.415 4.964 4.550 -0.000 0.000 0.333 274 Y C -1.035 174.764 175.900 -0.168 0.000 0.958 274 Y CA -0.753 57.233 58.100 -0.190 0.000 1.167 274 Y CB 0.962 39.255 38.460 -0.277 0.000 1.151 274 Y HN 0.689 nan 8.280 nan 0.000 0.470 275 D N 4.604 124.672 120.400 -0.553 0.000 2.454 275 D HA 0.593 5.233 4.640 -0.000 0.000 0.247 275 D C -0.322 175.741 176.300 -0.395 0.000 1.129 275 D CA 0.348 54.145 54.000 -0.338 0.000 0.877 275 D CB 1.009 41.675 40.800 -0.223 0.000 1.082 275 D HN 0.966 nan 8.370 nan 0.000 0.537 276 G N 1.976 110.658 108.800 -0.196 0.000 2.324 276 G HA2 0.102 4.062 3.960 -0.000 0.000 0.293 276 G HA3 0.102 4.062 3.960 -0.000 0.000 0.293 276 G C -1.687 173.400 174.900 0.312 0.000 1.297 276 G CA -1.044 44.056 45.100 0.000 0.000 0.853 276 G HN 0.247 nan 8.290 nan 0.000 0.535 277 Y N -0.508 119.944 120.300 0.253 0.000 2.597 277 Y HA 0.493 5.043 4.550 -0.000 0.000 0.336 277 Y C -0.217 175.961 175.900 0.463 0.000 1.216 277 Y CA 0.364 58.643 58.100 0.299 0.000 1.463 277 Y CB 0.834 39.448 38.460 0.257 0.000 1.303 277 Y HN 0.727 nan 8.280 nan 0.000 0.576 278 W N 7.366 128.287 121.300 -0.631 0.000 3.889 278 W HA 0.357 5.016 4.660 -0.000 0.000 0.310 278 W C -2.033 174.118 176.519 -0.614 0.000 1.167 278 W CA -0.498 56.535 57.345 -0.520 0.000 1.299 278 W CB 0.881 30.082 29.460 -0.430 0.000 1.214 278 W HN 0.460 nan 8.180 nan 0.000 0.451 279 E N 3.618 123.278 120.200 -0.900 0.000 2.272 279 E HA 0.166 4.516 4.350 -0.000 0.000 0.269 279 E C -1.191 174.939 176.600 -0.783 0.000 0.877 279 E CA -0.834 55.175 56.400 -0.652 0.000 0.755 279 E CB 2.306 31.764 29.700 -0.403 0.000 1.192 279 E HN 0.523 nan 8.360 nan 0.000 0.422 280 D N 1.753 121.825 120.400 -0.546 0.000 2.345 280 D HA 0.234 4.873 4.640 -0.000 0.000 0.247 280 D C 0.372 176.597 176.300 -0.124 0.000 1.108 280 D CA -0.297 53.542 54.000 -0.267 0.000 0.894 280 D CB 0.532 41.322 40.800 -0.017 0.000 1.203 280 D HN 0.502 nan 8.370 nan 0.000 0.430 281 I N 0.544 121.072 120.570 -0.070 0.000 2.913 281 I HA 0.473 4.643 4.170 -0.000 0.000 0.334 281 I C 0.621 176.797 176.117 0.099 0.000 1.449 281 I CA -0.838 60.490 61.300 0.046 0.000 0.867 281 I CB 0.898 38.930 38.000 0.053 0.000 1.918 281 I HN 0.407 nan 8.210 nan 0.000 0.556 282 G N 1.266 110.088 108.800 0.036 0.000 3.088 282 G HA2 0.254 4.214 3.960 -0.000 0.000 0.217 282 G HA3 0.254 4.214 3.960 -0.000 0.000 0.217 282 G C 0.460 175.379 174.900 0.032 0.000 1.159 282 G CA 0.659 45.767 45.100 0.014 0.000 0.760 282 G HN 0.514 nan 8.290 nan 0.000 0.550 283 T N -2.408 112.189 114.554 0.071 0.000 2.916 283 T HA 0.512 4.861 4.350 -0.000 0.000 0.292 283 T C 1.184 175.957 174.700 0.123 0.000 1.055 283 T CA -0.800 61.343 62.100 0.072 0.000 1.009 283 T CB 1.888 70.797 68.868 0.068 0.000 1.118 283 T HN -0.229 nan 8.240 nan 0.000 0.497 284 I N 0.779 121.414 120.570 0.108 0.000 2.127 284 I HA -0.142 4.027 4.170 -0.000 0.000 0.241 284 I C 2.555 178.810 176.117 0.231 0.000 1.075 284 I CA 1.812 63.203 61.300 0.151 0.000 1.334 284 I CB -1.056 37.013 38.000 0.115 0.000 1.040 284 I HN 0.953 nan 8.210 nan 0.000 0.405 285 E N 0.720 121.017 120.200 0.162 0.000 2.085 285 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 285 E C 2.282 179.028 176.600 0.244 0.000 0.994 285 E CA 1.572 58.081 56.400 0.181 0.000 0.801 285 E CB 0.025 29.792 29.700 0.112 0.000 0.743 285 E HN 0.455 nan 8.360 nan 0.000 0.453 286 A N 0.349 123.281 122.820 0.186 0.000 1.898 286 A HA -0.154 4.165 4.320 -0.000 0.000 0.216 286 A C 2.000 179.688 177.584 0.173 0.000 1.181 286 A CA 1.213 53.340 52.037 0.150 0.000 0.620 286 A CB -0.844 18.213 19.000 0.095 0.000 0.819 286 A HN 0.504 nan 8.150 nan 0.000 0.442 287 F N -0.685 119.311 119.950 0.076 0.000 2.075 287 F HA -0.222 4.305 4.527 -0.000 0.000 0.297 287 F C 2.167 178.030 175.800 0.106 0.000 1.113 287 F CA 2.129 60.169 58.000 0.066 0.000 1.218 287 F CB -0.635 38.403 39.000 0.063 0.000 0.984 287 F HN 0.386 nan 8.300 nan 0.000 0.472 288 Y N 1.673 122.093 120.300 0.201 0.000 2.081 288 Y HA -0.332 4.218 4.550 -0.000 0.000 0.280 288 Y C 2.344 178.235 175.900 -0.015 0.000 1.163 288 Y CA 2.381 60.532 58.100 0.085 0.000 1.135 288 Y CB -0.938 37.605 38.460 0.138 0.000 0.970 288 Y HN 0.084 nan 8.280 nan 0.000 0.498 289 N N 0.562 119.310 118.700 0.079 0.000 2.166 289 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 289 N C 1.966 177.413 175.510 -0.104 0.000 1.019 289 N CA 1.467 54.488 53.050 -0.048 0.000 0.856 289 N CB -0.816 37.743 38.487 0.120 0.000 0.993 289 N HN 0.560 nan 8.380 nan 0.000 0.426 290 A N 1.282 124.052 122.820 -0.083 0.000 1.969 290 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 290 A C 2.101 179.595 177.584 -0.149 0.000 1.169 290 A CA 1.070 53.061 52.037 -0.076 0.000 0.635 290 A CB -0.389 18.558 19.000 -0.088 0.000 0.810 290 A HN 0.277 nan 8.150 nan 0.000 0.445 291 N N -0.067 118.459 118.700 -0.289 0.000 2.171 291 N HA -0.029 4.711 4.740 -0.000 0.000 0.184 291 N C 1.629 177.000 175.510 -0.232 0.000 1.021 291 N CA 1.222 54.105 53.050 -0.277 0.000 0.854 291 N CB -0.198 38.036 38.487 -0.422 0.000 0.994 291 N HN 0.465 nan 8.380 nan 0.000 0.426 292 L N 0.386 121.402 121.223 -0.346 0.000 2.291 292 L HA -0.003 4.336 4.340 -0.000 0.000 0.214 292 L C 2.334 179.086 176.870 -0.196 0.000 1.120 292 L CA 0.486 55.094 54.840 -0.387 0.000 0.799 292 L CB -0.548 41.144 42.059 -0.611 0.000 0.925 292 L HN 0.175 nan 8.230 nan 0.000 0.446 293 G N 1.165 109.901 108.800 -0.106 0.000 2.509 293 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 293 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 293 G C 1.486 176.369 174.900 -0.029 0.000 1.124 293 G CA 0.546 45.635 45.100 -0.019 0.000 0.776 293 G HN 0.596 nan 8.290 nan 0.000 0.547 294 I N -0.407 120.141 120.570 -0.037 0.000 3.291 294 I HA 0.089 4.259 4.170 -0.000 0.000 0.279 294 I C 2.149 178.257 176.117 -0.015 0.000 1.294 294 I CA 1.400 62.691 61.300 -0.016 0.000 1.428 294 I CB -0.301 37.742 38.000 0.071 0.000 1.070 294 I HN 0.077 nan 8.210 nan 0.000 0.478 295 T N -2.261 112.276 114.554 -0.027 0.000 3.129 295 T HA 0.133 4.483 4.350 -0.000 0.000 0.251 295 T C 0.902 175.613 174.700 0.019 0.000 1.117 295 T CA -0.367 61.726 62.100 -0.012 0.000 1.034 295 T CB -0.276 68.572 68.868 -0.033 0.000 0.968 295 T HN 0.071 nan 8.240 nan 0.000 0.526 296 K N 3.134 123.544 120.400 0.016 0.000 2.513 296 K HA -0.066 4.254 4.320 -0.000 0.000 0.275 296 K C 1.529 178.133 176.600 0.006 0.000 1.025 296 K CA 0.284 56.582 56.287 0.017 0.000 1.125 296 K CB 0.586 33.087 32.500 0.001 0.000 0.843 296 K HN 0.675 nan 8.250 nan 0.000 0.486 297 K N 3.786 124.192 120.400 0.010 0.000 2.077 297 K HA -0.218 4.102 4.320 -0.000 0.000 0.213 297 K C -0.858 175.742 176.600 -0.000 0.000 1.051 297 K CA 1.500 57.789 56.287 0.005 0.000 0.929 297 K CB -0.936 31.566 32.500 0.003 0.000 0.715 297 K HN 0.405 nan 8.250 nan 0.000 0.451 298 P HA 0.118 nan 4.420 nan 0.000 0.214 298 P C -0.191 177.100 177.300 -0.015 0.000 1.152 298 P CA 0.291 63.387 63.100 -0.007 0.000 0.874 298 P CB 0.579 32.276 31.700 -0.004 0.000 0.782 299 V N -0.718 119.182 119.914 -0.023 0.000 3.048 299 V HA 0.314 4.434 4.120 -0.000 0.000 0.303 299 V C -2.784 173.275 176.094 -0.059 0.000 1.214 299 V CA -1.856 60.419 62.300 -0.041 0.000 0.984 299 V CB 2.200 33.995 31.823 -0.047 0.000 1.054 299 V HN -0.157 nan 8.190 nan 0.000 0.430 300 P HA 0.160 nan 4.420 nan 0.000 0.268 300 P C 0.064 177.258 177.300 -0.177 0.000 1.204 300 P CA 0.085 63.115 63.100 -0.116 0.000 0.768 300 P CB 0.584 32.202 31.700 -0.137 0.000 0.842 301 D N 1.136 121.423 120.400 -0.188 0.000 2.123 301 D HA -0.122 4.518 4.640 -0.000 0.000 0.196 301 D C 0.306 176.239 176.300 -0.610 0.000 0.992 301 D CA 1.591 55.428 54.000 -0.270 0.000 0.833 301 D CB -0.191 40.515 40.800 -0.156 0.000 0.954 301 D HN 0.327 nan 8.370 nan 0.000 0.455 302 F N 0.003 119.419 119.950 -0.889 0.000 2.520 302 F HA 0.430 4.957 4.527 -0.000 0.000 0.322 302 F C -0.837 174.646 175.800 -0.527 0.000 1.103 302 F CA -0.950 56.521 58.000 -0.883 0.000 0.926 302 F CB 1.885 40.221 39.000 -1.107 0.000 1.154 302 F HN -0.436 nan 8.300 nan 0.000 0.453 303 S N 6.538 121.455 115.700 -1.304 0.000 2.530 303 S HA 0.315 4.785 4.470 -0.000 0.000 0.322 303 S C 0.620 174.491 174.600 -1.214 0.000 1.085 303 S CA -0.453 57.207 58.200 -0.900 0.000 1.096 303 S CB 0.512 63.424 63.200 -0.480 0.000 0.988 303 S HN 0.700 nan 8.310 nan 0.000 0.466 304 F N 1.471 121.023 119.950 -0.664 0.000 2.171 304 F HA -0.039 4.488 4.527 -0.000 0.000 0.300 304 F C 0.987 176.601 175.800 -0.311 0.000 1.090 304 F CA 0.959 58.672 58.000 -0.478 0.000 1.293 304 F CB 0.014 38.734 39.000 -0.467 0.000 1.013 304 F HN 0.562 nan 8.300 nan 0.000 0.486 305 Y N 1.101 121.333 120.300 -0.112 0.000 2.308 305 Y HA 0.364 4.914 4.550 -0.000 0.000 0.329 305 Y C -0.575 175.217 175.900 -0.181 0.000 1.111 305 Y CA -1.311 56.731 58.100 -0.097 0.000 1.179 305 Y CB 0.833 39.275 38.460 -0.031 0.000 1.201 305 Y HN -0.025 nan 8.280 nan 0.000 0.483 306 D N 3.388 123.116 120.400 -1.121 0.000 2.756 306 D HA 0.275 4.915 4.640 -0.000 0.000 0.226 306 D C 0.528 176.231 176.300 -0.995 0.000 1.186 306 D CA -0.649 52.851 54.000 -0.834 0.000 0.845 306 D CB 1.493 42.005 40.800 -0.481 0.000 1.610 306 D HN 0.588 nan 8.370 nan 0.000 0.465 307 R N 1.047 121.224 120.500 -0.538 0.000 2.105 307 R HA -0.118 4.222 4.340 -0.000 0.000 0.239 307 R C 1.060 177.239 176.300 -0.203 0.000 1.135 307 R CA 2.352 58.287 56.100 -0.276 0.000 0.967 307 R CB 0.030 30.269 30.300 -0.102 0.000 0.861 307 R HN 0.513 nan 8.270 nan 0.000 0.442 308 S N -2.254 113.326 115.700 -0.201 0.000 2.575 308 S HA 0.297 4.767 4.470 -0.000 0.000 0.230 308 S C 0.637 175.165 174.600 -0.120 0.000 1.062 308 S CA -0.056 58.072 58.200 -0.119 0.000 0.913 308 S CB 1.199 64.351 63.200 -0.079 0.000 0.837 308 S HN 0.238 nan 8.310 nan 0.000 0.487 309 A N 3.360 126.065 122.820 -0.191 0.000 3.218 309 A HA 0.587 4.906 4.320 -0.000 0.000 0.321 309 A C -2.777 174.630 177.584 -0.295 0.000 1.012 309 A CA -1.611 50.318 52.037 -0.181 0.000 0.948 309 A CB 0.138 19.045 19.000 -0.155 0.000 1.050 309 A HN 0.381 nan 8.150 nan 0.000 0.492 310 P HA 0.133 nan 4.420 nan 0.000 0.269 310 P C -0.317 176.614 177.300 -0.614 0.000 1.215 310 P CA 0.078 62.881 63.100 -0.496 0.000 0.780 310 P CB 1.020 32.459 31.700 -0.436 0.000 0.898 311 I N 2.841 123.219 120.570 -0.320 0.000 2.371 311 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 311 I C 0.715 176.772 176.117 -0.100 0.000 1.028 311 I CA -0.580 60.630 61.300 -0.150 0.000 1.345 311 I CB -0.805 37.235 38.000 0.068 0.000 1.407 311 I HN 0.341 nan 8.210 nan 0.000 0.501 312 Y N 4.477 124.966 120.300 0.315 0.000 2.392 312 Y HA 0.535 5.085 4.550 -0.000 0.000 0.323 312 Y C 1.055 177.149 175.900 0.322 0.000 1.291 312 Y CA -0.149 58.128 58.100 0.295 0.000 1.345 312 Y CB 1.208 39.838 38.460 0.284 0.000 1.320 312 Y HN 0.533 nan 8.280 nan 0.000 0.518 313 T N -0.478 114.231 114.554 0.257 0.000 2.711 313 T HA 0.139 4.489 4.350 -0.000 0.000 0.302 313 T C -1.701 172.889 174.700 -0.184 0.000 1.373 313 T CA -0.901 61.247 62.100 0.080 0.000 1.000 313 T CB 1.460 70.343 68.868 0.025 0.000 1.483 313 T HN 0.646 nan 8.240 nan 0.000 0.499 314 Q N 1.548 121.194 119.800 -0.257 0.000 2.313 314 Q HA 0.343 4.683 4.340 -0.000 0.000 0.266 314 Q C -2.348 173.508 176.000 -0.241 0.000 0.989 314 Q CA -1.474 54.146 55.803 -0.305 0.000 0.890 314 Q CB 0.716 29.304 28.738 -0.250 0.000 1.200 314 Q HN 0.235 nan 8.270 nan 0.000 0.396 315 P HA 0.104 nan 4.420 nan 0.000 0.271 315 P C -0.791 176.194 177.300 -0.525 0.000 1.220 315 P CA 0.127 62.978 63.100 -0.416 0.000 0.768 315 P CB 0.741 32.188 31.700 -0.422 0.000 0.848 316 R N 1.722 121.900 120.500 -0.536 0.000 2.487 316 R HA 0.176 4.516 4.340 -0.000 0.000 0.272 316 R C -0.127 176.037 176.300 -0.227 0.000 0.928 316 R CA -0.224 55.677 56.100 -0.333 0.000 1.077 316 R CB -0.007 30.197 30.300 -0.159 0.000 1.265 316 R HN 0.490 nan 8.270 nan 0.000 0.537 317 Y N 0.552 120.849 120.300 -0.005 0.000 3.389 317 Y HA -0.272 4.278 4.550 -0.000 0.000 0.213 317 Y C -0.103 175.812 175.900 0.026 0.000 1.272 317 Y CA -0.253 57.850 58.100 0.006 0.000 1.444 317 Y CB -2.047 36.418 38.460 0.009 0.000 1.445 317 Y HN 0.114 nan 8.280 nan 0.000 0.583 318 L N 2.658 123.926 121.223 0.074 0.000 2.436 318 L HA 0.365 4.705 4.340 -0.000 0.000 0.265 318 L C -1.217 175.705 176.870 0.088 0.000 1.168 318 L CA -1.825 53.079 54.840 0.106 0.000 0.815 318 L CB 0.559 42.658 42.059 0.066 0.000 1.109 318 L HN -0.014 nan 8.230 nan 0.000 0.462 319 P HA 0.308 nan 4.420 nan 0.000 0.278 319 P C -2.704 174.614 177.300 0.029 0.000 1.258 319 P CA -1.642 61.484 63.100 0.043 0.000 0.811 319 P CB 0.124 31.831 31.700 0.011 0.000 1.063 320 P HA 0.014 nan 4.420 nan 0.000 0.268 320 P C -0.138 177.166 177.300 0.005 0.000 1.208 320 P CA 0.213 63.316 63.100 0.004 0.000 0.777 320 P CB 0.228 31.926 31.700 -0.003 0.000 0.875 321 S N 1.310 117.013 115.700 0.005 0.000 2.562 321 S HA 0.167 4.637 4.470 -0.000 0.000 0.281 321 S C 0.342 174.942 174.600 0.001 0.000 1.333 321 S CA -0.095 58.111 58.200 0.010 0.000 1.052 321 S CB 0.172 63.376 63.200 0.007 0.000 0.884 321 S HN 0.363 nan 8.310 nan 0.000 0.506 322 K N 2.221 122.622 120.400 0.001 0.000 2.159 322 K HA 0.540 4.860 4.320 -0.000 0.000 0.266 322 K C -0.996 175.604 176.600 0.000 0.000 0.975 322 K CA -0.041 56.243 56.287 -0.005 0.000 0.865 322 K CB 0.631 33.122 32.500 -0.015 0.000 1.087 322 K HN 0.567 nan 8.250 nan 0.000 0.446 323 M N 6.163 125.763 119.600 -0.001 0.000 2.151 323 M HA 0.233 4.713 4.480 -0.000 0.000 0.290 323 M C -0.129 176.171 176.300 -0.000 0.000 0.965 323 M CA -0.797 54.504 55.300 0.002 0.000 0.930 323 M CB 1.809 34.411 32.600 0.003 0.000 1.560 323 M HN 0.603 nan 8.290 nan 0.000 0.438 324 L N 2.022 123.246 121.223 0.001 0.000 2.049 324 L HA 0.173 4.513 4.340 -0.000 0.000 0.203 324 L C 0.274 177.144 176.870 0.000 0.000 1.074 324 L CA 2.216 57.056 54.840 -0.001 0.000 0.749 324 L CB 0.247 42.306 42.059 -0.000 0.000 0.907 324 L HN 0.785 nan 8.230 nan 0.000 0.439 325 D N -0.366 120.036 120.400 0.002 0.000 2.826 325 D HA 0.366 5.006 4.640 -0.000 0.000 0.239 325 D C -1.288 175.015 176.300 0.005 0.000 1.329 325 D CA 0.239 54.240 54.000 0.003 0.000 0.854 325 D CB 0.417 41.217 40.800 0.001 0.000 1.494 325 D HN 0.255 nan 8.370 nan 0.000 0.540 326 A N 2.237 125.062 122.820 0.008 0.000 2.287 326 A HA 0.583 4.902 4.320 -0.000 0.000 0.317 326 A C -0.632 176.961 177.584 0.015 0.000 1.220 326 A CA -0.712 51.333 52.037 0.012 0.000 0.835 326 A CB 0.837 19.845 19.000 0.013 0.000 1.180 326 A HN 0.235 nan 8.150 nan 0.000 0.500 327 D N 2.049 122.461 120.400 0.019 0.000 2.347 327 D HA 0.431 5.071 4.640 -0.000 0.000 0.235 327 D C -0.569 175.756 176.300 0.041 0.000 1.149 327 D CA 0.288 54.303 54.000 0.025 0.000 0.850 327 D CB 1.472 42.284 40.800 0.021 0.000 1.061 327 D HN 0.143 nan 8.370 nan 0.000 0.487 328 V N 2.846 122.786 119.914 0.042 0.000 2.378 328 V HA 0.459 4.579 4.120 -0.000 0.000 0.288 328 V C 0.268 176.400 176.094 0.064 0.000 1.016 328 V CA -0.714 61.617 62.300 0.051 0.000 0.840 328 V CB 1.587 33.428 31.823 0.030 0.000 0.994 328 V HN 0.611 nan 8.190 nan 0.000 0.431 329 T N 0.167 114.783 114.554 0.104 0.000 2.856 329 T HA 0.465 4.815 4.350 -0.000 0.000 0.283 329 T C -0.201 174.520 174.700 0.034 0.000 1.008 329 T CA -0.648 61.521 62.100 0.115 0.000 0.997 329 T CB 1.494 70.512 68.868 0.250 0.000 0.992 329 T HN 0.682 nan 8.240 nan 0.000 0.454 330 D N 1.050 121.460 120.400 0.017 0.000 2.706 330 D HA -0.142 4.498 4.640 -0.000 0.000 0.230 330 D C -0.217 176.068 176.300 -0.026 0.000 1.184 330 D CA 0.969 54.966 54.000 -0.006 0.000 0.628 330 D CB -1.133 39.655 40.800 -0.021 0.000 1.019 330 D HN 0.560 nan 8.370 nan 0.000 0.415 331 S N -1.049 114.637 115.700 -0.022 0.000 2.671 331 S HA 0.722 5.191 4.470 -0.000 0.000 0.299 331 S C -0.135 174.449 174.600 -0.026 0.000 1.116 331 S CA -0.719 57.458 58.200 -0.038 0.000 0.912 331 S CB 3.280 66.463 63.200 -0.027 0.000 1.130 331 S HN 0.022 nan 8.310 nan 0.000 0.501 332 V N 2.335 122.230 119.914 -0.032 0.000 2.588 332 V HA 0.538 4.658 4.120 -0.000 0.000 0.304 332 V C -1.172 174.909 176.094 -0.020 0.000 1.042 332 V CA -0.600 61.689 62.300 -0.018 0.000 0.877 332 V CB 1.680 33.498 31.823 -0.010 0.000 0.996 332 V HN 0.670 nan 8.190 nan 0.000 0.425 333 I N 3.983 124.543 120.570 -0.017 0.000 2.406 333 I HA 0.510 4.680 4.170 -0.000 0.000 0.290 333 I C 0.835 176.934 176.117 -0.030 0.000 0.999 333 I CA -0.040 61.248 61.300 -0.020 0.000 1.124 333 I CB 1.522 39.514 38.000 -0.013 0.000 1.289 333 I HN 0.696 nan 8.210 nan 0.000 0.441 334 G N 5.032 113.808 108.800 -0.041 0.000 2.535 334 G HA2 0.308 4.268 3.960 -0.000 0.000 0.282 334 G HA3 0.308 4.268 3.960 -0.000 0.000 0.282 334 G C -0.183 174.684 174.900 -0.055 0.000 1.350 334 G CA -0.492 44.569 45.100 -0.065 0.000 1.039 334 G HN 0.654 nan 8.290 nan 0.000 0.509 335 E N -0.594 119.560 120.200 -0.076 0.000 2.392 335 E HA 0.367 4.717 4.350 -0.000 0.000 0.264 335 E C 1.015 177.615 176.600 -0.001 0.000 1.024 335 E CA 0.537 56.907 56.400 -0.050 0.000 0.903 335 E CB 0.600 30.250 29.700 -0.082 0.000 0.963 335 E HN 0.880 nan 8.360 nan 0.000 0.432 336 G N 2.194 111.021 108.800 0.046 0.000 2.321 336 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.287 336 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.287 336 G C 0.167 175.168 174.900 0.168 0.000 1.018 336 G CA 0.034 45.217 45.100 0.139 0.000 0.855 336 G HN 0.543 nan 8.290 nan 0.000 0.507 337 C N -0.748 118.601 119.300 0.081 0.000 2.595 337 C HA 0.628 5.088 4.460 -0.000 0.000 0.384 337 C C 1.045 176.079 174.990 0.073 0.000 1.289 337 C CA -0.064 59.000 59.018 0.077 0.000 2.372 337 C CB 1.051 28.808 27.740 0.029 0.000 2.593 337 C HN 1.102 nan 8.230 nan 0.000 0.639 338 V N 1.326 121.285 119.914 0.074 0.000 2.380 338 V HA 0.673 4.793 4.120 -0.000 0.000 0.286 338 V C -0.750 175.362 176.094 0.030 0.000 1.015 338 V CA -0.223 62.101 62.300 0.040 0.000 0.834 338 V CB 0.451 32.296 31.823 0.036 0.000 1.009 338 V HN 0.726 nan 8.190 nan 0.000 0.428 339 I N 4.916 125.497 120.570 0.018 0.000 2.465 339 I HA 0.570 4.740 4.170 -0.000 0.000 0.291 339 I C 0.423 176.546 176.117 0.010 0.000 1.014 339 I CA -0.624 60.685 61.300 0.016 0.000 1.093 339 I CB 2.212 40.221 38.000 0.015 0.000 1.267 339 I HN 0.518 nan 8.210 nan 0.000 0.431 340 K N 3.574 123.980 120.400 0.011 0.000 2.851 340 K HA 0.266 4.585 4.320 -0.000 0.000 0.321 340 K C -0.162 176.442 176.600 0.007 0.000 0.977 340 K CA -0.371 55.921 56.287 0.007 0.000 1.366 340 K CB 0.048 32.553 32.500 0.008 0.000 1.524 340 K HN 0.687 nan 8.250 nan 0.000 0.683 341 N N 0.054 118.757 118.700 0.005 0.000 2.408 341 N HA 0.325 5.065 4.740 -0.000 0.000 0.257 341 N C -0.195 175.317 175.510 0.005 0.000 1.064 341 N CA -0.629 52.423 53.050 0.004 0.000 0.952 341 N CB 0.467 38.955 38.487 0.001 0.000 1.093 341 N HN 0.564 nan 8.380 nan 0.000 0.490 342 C N -0.503 118.802 119.300 0.007 0.000 3.295 342 C HA 0.622 5.082 4.460 -0.000 0.000 0.341 342 C C -1.831 173.167 174.990 0.014 0.000 1.418 342 C CA -1.287 57.736 59.018 0.009 0.000 1.240 342 C CB 1.394 29.144 27.740 0.017 0.000 1.562 342 C HN 0.604 nan 8.230 nan 0.000 0.457 343 K N 1.226 121.637 120.400 0.018 0.000 2.292 343 K HA 0.751 5.070 4.320 -0.000 0.000 0.257 343 K C -1.262 175.375 176.600 0.062 0.000 0.940 343 K CA -0.312 55.994 56.287 0.033 0.000 0.811 343 K CB 1.666 34.174 32.500 0.014 0.000 1.120 343 K HN 0.818 nan 8.250 nan 0.000 0.428 344 I N 2.377 122.995 120.570 0.080 0.000 2.447 344 I HA 0.219 4.388 4.170 -0.000 0.000 0.287 344 I C -0.832 175.372 176.117 0.144 0.000 1.023 344 I CA -0.778 60.577 61.300 0.092 0.000 1.083 344 I CB 1.613 39.644 38.000 0.052 0.000 1.245 344 I HN 0.578 nan 8.210 nan 0.000 0.434 345 H N 5.328 124.435 119.070 0.063 0.000 2.689 345 H HA 0.287 4.843 4.556 -0.000 0.000 0.346 345 H C 0.107 175.521 175.328 0.143 0.000 1.037 345 H CA -0.289 55.813 56.048 0.090 0.000 1.234 345 H CB 0.840 30.656 29.762 0.090 0.000 1.572 345 H HN 0.648 nan 8.280 nan 0.000 0.524 346 H N 3.142 121.837 119.070 -0.625 0.000 2.604 346 H HA -0.157 4.399 4.556 -0.000 0.000 0.321 346 H C -1.050 174.170 175.328 -0.181 0.000 1.132 346 H CA 1.045 56.834 56.048 -0.432 0.000 1.129 346 H CB -0.857 28.602 29.762 -0.506 0.000 1.526 346 H HN 0.552 nan 8.280 nan 0.000 0.415 347 S N -0.345 115.228 115.700 -0.211 0.000 2.661 347 S HA 0.624 5.093 4.470 -0.000 0.000 0.285 347 S C -0.384 174.132 174.600 -0.140 0.000 1.138 347 S CA -0.453 57.642 58.200 -0.175 0.000 0.855 347 S CB 3.103 66.271 63.200 -0.053 0.000 1.136 347 S HN 0.184 nan 8.310 nan 0.000 0.484 348 V N 1.993 121.839 119.914 -0.115 0.000 2.409 348 V HA 0.468 4.588 4.120 -0.000 0.000 0.291 348 V C -0.855 175.213 176.094 -0.044 0.000 1.020 348 V CA -0.589 61.664 62.300 -0.078 0.000 0.848 348 V CB 1.562 33.331 31.823 -0.089 0.000 0.990 348 V HN 0.652 nan 8.190 nan 0.000 0.430 349 V N 4.817 124.711 119.914 -0.033 0.000 2.294 349 V HA 0.529 4.649 4.120 -0.000 0.000 0.272 349 V C 1.035 177.109 176.094 -0.034 0.000 1.027 349 V CA -0.312 61.974 62.300 -0.024 0.000 0.823 349 V CB 1.160 32.974 31.823 -0.014 0.000 1.030 349 V HN 0.952 nan 8.190 nan 0.000 0.457 350 G N 4.197 112.975 108.800 -0.037 0.000 2.699 350 G HA2 0.350 4.309 3.960 -0.000 0.000 0.246 350 G HA3 0.350 4.309 3.960 -0.000 0.000 0.246 350 G C 0.186 175.043 174.900 -0.072 0.000 1.219 350 G CA -0.662 44.404 45.100 -0.057 0.000 0.866 350 G HN 1.010 nan 8.290 nan 0.000 0.572 351 L N -1.118 120.045 121.223 -0.100 0.000 2.543 351 L HA 0.271 4.611 4.340 -0.000 0.000 0.285 351 L C 0.899 177.684 176.870 -0.141 0.000 1.236 351 L CA -0.270 54.502 54.840 -0.113 0.000 0.871 351 L CB 0.155 42.130 42.059 -0.140 0.000 1.121 351 L HN 0.850 nan 8.230 nan 0.000 0.501 352 R N 0.863 121.287 120.500 -0.127 0.000 3.875 352 R HA -0.149 4.191 4.340 -0.000 0.000 0.321 352 R C -0.011 176.230 176.300 -0.099 0.000 1.196 352 R CA 0.675 56.652 56.100 -0.205 0.000 0.868 352 R CB -2.463 27.450 30.300 -0.646 0.000 1.333 352 R HN 0.815 nan 8.270 nan 0.000 0.522 353 S N 0.553 116.230 115.700 -0.040 0.000 2.533 353 S HA 0.203 4.673 4.470 -0.000 0.000 0.282 353 S C 0.443 175.057 174.600 0.022 0.000 1.304 353 S CA -0.298 57.888 58.200 -0.023 0.000 1.063 353 S CB 1.189 64.379 63.200 -0.017 0.000 0.881 353 S HN 0.425 nan 8.310 nan 0.000 0.493 354 C N 6.609 125.918 119.300 0.015 0.000 2.322 354 C HA 0.732 5.191 4.460 -0.000 0.000 0.324 354 C C -0.587 174.416 174.990 0.020 0.000 1.284 354 C CA -0.826 58.213 59.018 0.036 0.000 1.606 354 C CB -1.320 26.447 27.740 0.046 0.000 2.251 354 C HN 0.819 nan 8.230 nan 0.000 0.502 355 I N 6.094 126.677 120.570 0.023 0.000 2.439 355 I HA 0.284 4.453 4.170 -0.000 0.000 0.285 355 I C 0.322 176.450 176.117 0.019 0.000 1.021 355 I CA 0.097 61.410 61.300 0.020 0.000 1.091 355 I CB 2.015 40.028 38.000 0.021 0.000 1.242 355 I HN 0.669 nan 8.210 nan 0.000 0.439 356 S N 3.796 119.507 115.700 0.019 0.000 2.681 356 S HA 0.268 4.738 4.470 -0.000 0.000 0.270 356 S C -0.248 174.360 174.600 0.014 0.000 1.209 356 S CA -0.773 57.436 58.200 0.016 0.000 0.988 356 S CB 0.634 63.844 63.200 0.017 0.000 1.006 356 S HN 0.487 nan 8.310 nan 0.000 0.558 357 E N 0.772 120.979 120.200 0.011 0.000 2.608 357 E HA 0.327 4.677 4.350 -0.000 0.000 0.259 357 E C 1.257 177.861 176.600 0.006 0.000 0.951 357 E CA 1.112 57.516 56.400 0.007 0.000 0.945 357 E CB -0.396 29.307 29.700 0.005 0.000 0.916 357 E HN 0.897 nan 8.360 nan 0.000 0.477 358 G N 1.698 110.499 108.800 0.001 0.000 2.234 358 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.260 358 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.260 358 G C 0.549 175.446 174.900 -0.005 0.000 0.987 358 G CA -0.023 45.074 45.100 -0.005 0.000 0.625 358 G HN 0.936 nan 8.290 nan 0.000 0.532 359 A N 0.008 122.833 122.820 0.008 0.000 2.498 359 A HA 0.587 4.907 4.320 -0.000 0.000 0.239 359 A C 0.331 177.925 177.584 0.016 0.000 1.068 359 A CA 0.703 52.752 52.037 0.021 0.000 0.766 359 A CB 0.157 19.176 19.000 0.031 0.000 1.003 359 A HN 0.942 nan 8.150 nan 0.000 0.497 360 I N 3.235 123.823 120.570 0.031 0.000 2.439 360 I HA 0.274 4.444 4.170 -0.000 0.000 0.285 360 I C -0.926 175.285 176.117 0.156 0.000 1.021 360 I CA -0.395 60.921 61.300 0.027 0.000 1.091 360 I CB 1.566 39.470 38.000 -0.160 0.000 1.242 360 I HN 0.377 nan 8.210 nan 0.000 0.439 361 I N 5.752 126.403 120.570 0.136 0.000 2.389 361 I HA 0.456 4.626 4.170 -0.000 0.000 0.288 361 I C -0.191 176.034 176.117 0.179 0.000 0.999 361 I CA -0.483 60.904 61.300 0.146 0.000 1.129 361 I CB 1.370 39.424 38.000 0.091 0.000 1.288 361 I HN 0.622 nan 8.210 nan 0.000 0.444 362 E N 4.960 125.280 120.200 0.200 0.000 2.272 362 E HA 0.255 4.604 4.350 -0.000 0.000 0.269 362 E C -1.000 175.718 176.600 0.196 0.000 0.877 362 E CA -0.718 55.828 56.400 0.244 0.000 0.755 362 E CB 1.766 31.642 29.700 0.294 0.000 1.192 362 E HN 0.477 nan 8.360 nan 0.000 0.422 363 D N 1.623 122.140 120.400 0.195 0.000 2.720 363 D HA -0.166 4.474 4.640 -0.000 0.000 0.229 363 D C -0.766 175.623 176.300 0.150 0.000 1.198 363 D CA 1.076 55.170 54.000 0.156 0.000 0.639 363 D CB -0.853 40.145 40.800 0.331 0.000 1.003 363 D HN 0.178 nan 8.370 nan 0.000 0.411 364 S N -0.315 115.421 115.700 0.059 0.000 2.632 364 S HA 0.672 5.142 4.470 -0.000 0.000 0.289 364 S C -0.614 173.999 174.600 0.022 0.000 1.115 364 S CA -0.902 57.364 58.200 0.110 0.000 0.889 364 S CB 2.685 65.948 63.200 0.105 0.000 1.116 364 S HN 0.241 nan 8.310 nan 0.000 0.486 365 L N 2.436 123.705 121.223 0.078 0.000 2.316 365 L HA 0.622 4.962 4.340 -0.000 0.000 0.280 365 L C -1.897 175.010 176.870 0.062 0.000 1.006 365 L CA -0.513 54.351 54.840 0.041 0.000 0.836 365 L CB 0.574 42.679 42.059 0.077 0.000 1.221 365 L HN 0.449 nan 8.230 nan 0.000 0.418 366 L N 6.485 127.724 121.223 0.027 0.000 2.262 366 L HA 0.368 4.708 4.340 -0.000 0.000 0.288 366 L C 1.120 177.995 176.870 0.009 0.000 1.035 366 L CA 0.089 54.940 54.840 0.019 0.000 0.820 366 L CB 1.551 43.613 42.059 0.006 0.000 1.204 366 L HN 0.664 nan 8.230 nan 0.000 0.424 367 M N 1.540 121.150 119.600 0.016 0.000 2.557 367 M HA 0.172 4.651 4.480 -0.000 0.000 0.259 367 M C 1.272 177.549 176.300 -0.038 0.000 1.086 367 M CA 0.786 56.089 55.300 0.005 0.000 1.096 367 M CB -1.098 31.512 32.600 0.017 0.000 1.424 367 M HN 0.798 nan 8.290 nan 0.000 0.488 368 G N 0.390 109.159 108.800 -0.051 0.000 2.499 368 G HA2 0.026 3.986 3.960 -0.000 0.000 0.232 368 G HA3 0.026 3.986 3.960 -0.000 0.000 0.232 368 G C -0.790 174.028 174.900 -0.136 0.000 1.251 368 G CA -0.203 44.842 45.100 -0.091 0.000 0.917 368 G HN 0.894 nan 8.290 nan 0.000 0.580 369 A N -1.602 121.096 122.820 -0.204 0.000 2.606 369 A HA 0.734 5.054 4.320 -0.000 0.000 0.293 369 A C 0.193 177.584 177.584 -0.322 0.000 1.082 369 A CA 0.715 52.573 52.037 -0.298 0.000 0.685 369 A CB 1.314 20.072 19.000 -0.404 0.000 1.284 369 A HN 0.612 nan 8.150 nan 0.000 0.408 370 D N -0.505 119.706 120.400 -0.315 0.000 2.347 370 D HA 0.180 4.819 4.640 -0.000 0.000 0.213 370 D C -0.075 176.190 176.300 -0.059 0.000 0.985 370 D CA 1.960 55.888 54.000 -0.120 0.000 0.879 370 D CB 0.003 40.853 40.800 0.082 0.000 0.919 370 D HN 0.575 nan 8.370 nan 0.000 0.526 371 Y N -2.738 117.453 120.300 -0.182 0.000 2.764 371 Y HA 0.518 5.068 4.550 -0.000 0.000 0.331 371 Y C -1.435 174.336 175.900 -0.215 0.000 1.280 371 Y CA -1.672 56.321 58.100 -0.179 0.000 1.065 371 Y CB 0.431 38.866 38.460 -0.042 0.000 1.319 371 Y HN -0.304 nan 8.280 nan 0.000 0.453 372 Y N 0.360 120.764 120.300 0.173 0.000 2.487 372 Y HA 0.543 5.093 4.550 -0.000 0.000 0.337 372 Y C -0.390 175.627 175.900 0.195 0.000 1.076 372 Y CA -1.023 57.129 58.100 0.087 0.000 1.115 372 Y CB 2.041 40.537 38.460 0.059 0.000 1.235 372 Y HN 0.473 nan 8.280 nan 0.000 0.468 373 E N 1.172 121.552 120.200 0.301 0.000 2.158 373 E HA 0.254 4.604 4.350 -0.000 0.000 0.271 373 E C -0.314 176.373 176.600 0.145 0.000 0.911 373 E CA -0.589 55.946 56.400 0.225 0.000 0.767 373 E CB 1.605 31.413 29.700 0.179 0.000 1.120 373 E HN 0.743 nan 8.360 nan 0.000 0.405 374 T N -0.024 114.595 114.554 0.108 0.000 3.976 374 T HA 0.023 4.373 4.350 -0.000 0.000 0.393 374 T C 0.422 175.149 174.700 0.046 0.000 1.208 374 T CA 0.371 62.505 62.100 0.057 0.000 0.970 374 T CB 0.108 69.001 68.868 0.042 0.000 1.759 374 T HN 0.301 nan 8.240 nan 0.000 0.527 375 D N -0.158 120.260 120.400 0.029 0.000 2.422 375 D HA 0.396 5.035 4.640 -0.000 0.000 0.218 375 D C 2.217 178.532 176.300 0.025 0.000 1.047 375 D CA 0.528 54.543 54.000 0.025 0.000 0.885 375 D CB -0.364 40.444 40.800 0.014 0.000 1.035 375 D HN 0.559 nan 8.370 nan 0.000 0.502 376 A N 1.231 124.066 122.820 0.025 0.000 1.883 376 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 376 A C 1.720 179.321 177.584 0.028 0.000 1.186 376 A CA 1.677 53.727 52.037 0.022 0.000 0.624 376 A CB -0.494 18.518 19.000 0.020 0.000 0.822 376 A HN 0.067 nan 8.150 nan 0.000 0.444 377 D N -0.571 119.852 120.400 0.039 0.000 2.092 377 D HA -0.157 4.483 4.640 -0.000 0.000 0.193 377 D C 2.211 178.539 176.300 0.047 0.000 0.994 377 D CA 1.452 55.481 54.000 0.049 0.000 0.828 377 D CB -0.359 40.486 40.800 0.074 0.000 0.963 377 D HN 0.428 nan 8.370 nan 0.000 0.450 378 R N 0.866 121.394 120.500 0.047 0.000 2.091 378 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 378 R C 2.411 178.729 176.300 0.031 0.000 1.136 378 R CA 1.120 57.245 56.100 0.041 0.000 0.959 378 R CB -0.026 30.296 30.300 0.037 0.000 0.856 378 R HN 0.211 nan 8.270 nan 0.000 0.437 379 K N 0.453 120.869 120.400 0.026 0.000 1.991 379 K HA -0.192 4.128 4.320 -0.000 0.000 0.212 379 K C 2.095 178.707 176.600 0.021 0.000 1.049 379 K CA 1.394 57.693 56.287 0.021 0.000 0.932 379 K CB -0.433 32.077 32.500 0.017 0.000 0.717 379 K HN 0.042 nan 8.250 nan 0.000 0.441 380 L N 1.460 122.696 121.223 0.022 0.000 2.043 380 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 380 L C 1.964 178.848 176.870 0.023 0.000 1.075 380 L CA 1.535 56.387 54.840 0.021 0.000 0.752 380 L CB -0.446 41.626 42.059 0.021 0.000 0.891 380 L HN 0.053 nan 8.230 nan 0.000 0.432 381 L N -0.061 121.179 121.223 0.028 0.000 2.017 381 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 381 L C 2.738 179.624 176.870 0.025 0.000 1.073 381 L CA 2.074 56.932 54.840 0.030 0.000 0.745 381 L CB -1.656 40.425 42.059 0.038 0.000 0.894 381 L HN 0.357 nan 8.230 nan 0.000 0.432 382 A N -0.718 122.116 122.820 0.024 0.000 1.908 382 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 382 A C 2.482 180.076 177.584 0.017 0.000 1.181 382 A CA 1.980 54.029 52.037 0.020 0.000 0.627 382 A CB -0.963 18.048 19.000 0.018 0.000 0.818 382 A HN 0.414 nan 8.150 nan 0.000 0.445 383 A N 0.130 122.960 122.820 0.017 0.000 1.834 383 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 383 A C 1.919 179.512 177.584 0.015 0.000 1.203 383 A CA 1.743 53.789 52.037 0.015 0.000 0.621 383 A CB -0.532 18.477 19.000 0.014 0.000 0.841 383 A HN 0.364 nan 8.150 nan 0.000 0.446 384 K N -0.545 119.864 120.400 0.016 0.000 2.589 384 K HA -0.058 4.262 4.320 -0.000 0.000 0.195 384 K C 1.049 177.659 176.600 0.017 0.000 1.040 384 K CA 0.835 57.132 56.287 0.016 0.000 0.950 384 K CB -0.929 31.581 32.500 0.018 0.000 0.781 384 K HN 1.086 nan 8.250 nan 0.000 0.486 385 G N 1.685 110.496 108.800 0.018 0.000 2.225 385 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.264 385 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.264 385 G C 0.126 175.039 174.900 0.021 0.000 1.060 385 G CA 0.613 45.724 45.100 0.018 0.000 0.833 385 G HN 0.387 nan 8.290 nan 0.000 0.498 386 S N -2.082 113.632 115.700 0.023 0.000 2.718 386 S HA 0.829 5.299 4.470 -0.000 0.000 0.292 386 S C 0.353 174.969 174.600 0.028 0.000 1.125 386 S CA 0.023 58.239 58.200 0.027 0.000 1.013 386 S CB 1.717 64.935 63.200 0.030 0.000 1.192 386 S HN 0.898 nan 8.310 nan 0.000 0.535 387 V N 3.456 123.388 119.914 0.031 0.000 2.604 387 V HA 0.545 4.665 4.120 -0.000 0.000 0.305 387 V C -2.150 173.966 176.094 0.036 0.000 1.043 387 V CA -1.678 60.640 62.300 0.031 0.000 0.888 387 V CB 1.620 33.460 31.823 0.028 0.000 0.995 387 V HN 0.793 nan 8.190 nan 0.000 0.429 388 P HA 0.420 nan 4.420 nan 0.000 0.278 388 P C -0.367 176.952 177.300 0.033 0.000 1.266 388 P CA -0.538 62.588 63.100 0.043 0.000 0.807 388 P CB 1.206 32.931 31.700 0.042 0.000 1.094 389 I N -0.110 120.478 120.570 0.029 0.000 2.692 389 I HA 0.412 4.582 4.170 -0.000 0.000 0.284 389 I C 1.267 177.377 176.117 -0.012 0.000 1.159 389 I CA 1.256 62.550 61.300 -0.010 0.000 1.423 389 I CB -0.342 37.612 38.000 -0.077 0.000 1.380 389 I HN 0.725 nan 8.210 nan 0.000 0.580 390 G N 5.789 114.577 108.800 -0.020 0.000 2.408 390 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.682 390 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.682 390 G C -1.076 173.826 174.900 0.003 0.000 1.303 390 G CA -1.124 43.970 45.100 -0.010 0.000 0.966 390 G HN 0.322 nan 8.290 nan 0.000 0.560 391 I N 2.244 122.819 120.570 0.009 0.000 2.352 391 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 391 I C 1.643 177.772 176.117 0.019 0.000 1.036 391 I CA 0.230 61.539 61.300 0.016 0.000 1.336 391 I CB -0.073 37.940 38.000 0.022 0.000 1.407 391 I HN 0.926 nan 8.210 nan 0.000 0.497 392 G N 6.299 115.111 108.800 0.019 0.000 2.683 392 G HA2 0.140 4.100 3.960 -0.000 0.000 0.260 392 G HA3 0.140 4.100 3.960 -0.000 0.000 0.260 392 G C 0.067 174.979 174.900 0.021 0.000 1.238 392 G CA -0.664 44.448 45.100 0.020 0.000 0.934 392 G HN 0.582 nan 8.290 nan 0.000 0.534 393 K N 0.201 120.612 120.400 0.018 0.000 2.448 393 K HA 0.012 4.332 4.320 -0.000 0.000 0.278 393 K C 0.464 177.074 176.600 0.017 0.000 1.009 393 K CA 0.659 56.956 56.287 0.016 0.000 0.995 393 K CB 0.216 32.724 32.500 0.013 0.000 0.917 393 K HN 0.659 nan 8.250 nan 0.000 0.481 394 N N -0.328 118.381 118.700 0.015 0.000 2.714 394 N HA -0.213 4.527 4.740 -0.000 0.000 0.250 394 N C -0.718 174.811 175.510 0.031 0.000 1.117 394 N CA 0.314 53.372 53.050 0.014 0.000 0.719 394 N CB -1.444 37.049 38.487 0.010 0.000 1.081 394 N HN 0.430 nan 8.380 nan 0.000 0.557 395 C N 0.180 119.505 119.300 0.041 0.000 2.520 395 C HA 0.320 4.779 4.460 -0.000 0.000 0.376 395 C C 0.794 175.858 174.990 0.123 0.000 1.268 395 C CA -0.312 58.746 59.018 0.066 0.000 2.414 395 C CB 0.508 28.278 27.740 0.050 0.000 2.521 395 C HN 0.354 nan 8.230 nan 0.000 0.618 396 H N 2.464 121.536 119.070 0.003 0.000 2.906 396 H HA 0.553 5.109 4.556 -0.000 0.000 0.324 396 H C -1.050 174.281 175.328 0.006 0.000 0.973 396 H CA -1.069 54.984 56.048 0.008 0.000 1.321 396 H CB 0.217 29.983 29.762 0.006 0.000 1.535 396 H HN 0.402 nan 8.280 nan 0.000 0.518 397 I N 4.679 125.338 120.570 0.148 0.000 2.362 397 I HA 0.343 4.513 4.170 -0.000 0.000 0.289 397 I C -0.027 176.087 176.117 -0.004 0.000 0.994 397 I CA -0.644 60.665 61.300 0.015 0.000 1.158 397 I CB 1.105 39.136 38.000 0.051 0.000 1.315 397 I HN 0.528 nan 8.210 nan 0.000 0.451 398 K N 5.520 125.865 120.400 -0.091 0.000 2.464 398 K HA 0.491 4.811 4.320 -0.000 0.000 0.253 398 K C 0.018 176.620 176.600 0.002 0.000 0.933 398 K CA -0.785 55.484 56.287 -0.031 0.000 0.801 398 K CB 1.911 34.341 32.500 -0.118 0.000 1.271 398 K HN 0.461 nan 8.250 nan 0.000 0.430 399 R N 1.355 121.909 120.500 0.090 0.000 3.158 399 R HA -0.238 4.101 4.340 -0.000 0.000 0.244 399 R C -1.621 174.682 176.300 0.006 0.000 0.900 399 R CA 0.945 57.096 56.100 0.084 0.000 0.618 399 R CB -1.613 28.686 30.300 -0.001 0.000 1.061 399 R HN 0.605 nan 8.270 nan 0.000 0.471 400 A N 1.419 124.300 122.820 0.102 0.000 2.479 400 A HA 0.820 5.140 4.320 -0.000 0.000 0.296 400 A C -0.531 177.152 177.584 0.165 0.000 1.121 400 A CA -0.794 51.286 52.037 0.072 0.000 0.743 400 A CB 1.402 20.417 19.000 0.025 0.000 1.323 400 A HN 0.277 nan 8.150 nan 0.000 0.415 401 I N 1.844 122.495 120.570 0.136 0.000 2.410 401 I HA 0.298 4.468 4.170 -0.000 0.000 0.286 401 I C -1.076 175.098 176.117 0.096 0.000 1.009 401 I CA -0.421 60.980 61.300 0.168 0.000 1.111 401 I CB 1.554 39.678 38.000 0.205 0.000 1.262 401 I HN 0.368 nan 8.210 nan 0.000 0.443 402 I N 5.110 125.725 120.570 0.075 0.000 2.330 402 I HA 0.246 4.415 4.170 -0.000 0.000 0.286 402 I C 0.334 176.469 176.117 0.031 0.000 1.025 402 I CA -0.168 61.157 61.300 0.042 0.000 1.197 402 I CB 0.760 38.777 38.000 0.028 0.000 1.358 402 I HN 0.526 nan 8.210 nan 0.000 0.467 403 D N 5.795 126.206 120.400 0.019 0.000 2.369 403 D HA 0.051 4.690 4.640 -0.000 0.000 0.241 403 D C 0.360 176.650 176.300 -0.015 0.000 1.271 403 D CA -0.132 53.868 54.000 -0.000 0.000 0.942 403 D CB 1.023 41.809 40.800 -0.023 0.000 1.129 403 D HN 0.169 nan 8.370 nan 0.000 0.476 404 K N 1.703 122.086 120.400 -0.028 0.000 2.524 404 K HA -0.068 4.252 4.320 -0.000 0.000 0.279 404 K C 0.303 176.867 176.600 -0.059 0.000 0.993 404 K CA 0.237 56.493 56.287 -0.052 0.000 1.030 404 K CB -0.068 32.403 32.500 -0.048 0.000 0.891 404 K HN 0.413 nan 8.250 nan 0.000 0.488 405 N N -1.481 117.151 118.700 -0.113 0.000 2.708 405 N HA -0.220 4.520 4.740 -0.000 0.000 0.251 405 N C -0.164 175.314 175.510 -0.053 0.000 1.123 405 N CA 1.260 54.233 53.050 -0.129 0.000 0.739 405 N CB -1.726 36.708 38.487 -0.089 0.000 1.113 405 N HN 0.738 nan 8.380 nan 0.000 0.561 406 A N 0.532 123.331 122.820 -0.036 0.000 2.466 406 A HA 0.391 4.710 4.320 -0.000 0.000 0.238 406 A C 0.699 178.280 177.584 -0.005 0.000 1.074 406 A CA 0.233 52.265 52.037 -0.007 0.000 0.774 406 A CB 0.354 19.354 19.000 -0.000 0.000 1.015 406 A HN 0.294 nan 8.150 nan 0.000 0.498 407 R N 1.514 122.022 120.500 0.013 0.000 2.352 407 R HA 0.333 4.673 4.340 -0.000 0.000 0.304 407 R C -1.211 175.101 176.300 0.019 0.000 1.104 407 R CA -0.437 55.674 56.100 0.018 0.000 0.991 407 R CB 0.905 31.222 30.300 0.029 0.000 1.140 407 R HN 0.523 nan 8.270 nan 0.000 0.540 408 I N 2.501 123.079 120.570 0.014 0.000 2.304 408 I HA 0.244 4.413 4.170 -0.000 0.000 0.291 408 I C 1.228 177.355 176.117 0.016 0.000 1.018 408 I CA -0.462 60.846 61.300 0.013 0.000 1.260 408 I CB 0.807 38.812 38.000 0.009 0.000 1.390 408 I HN 0.574 nan 8.210 nan 0.000 0.475 409 G N 4.840 113.650 108.800 0.017 0.000 2.667 409 G HA2 0.149 4.109 3.960 -0.000 0.000 0.250 409 G HA3 0.149 4.109 3.960 -0.000 0.000 0.250 409 G C -0.242 174.669 174.900 0.017 0.000 1.212 409 G CA -0.384 44.727 45.100 0.018 0.000 0.874 409 G HN 0.542 nan 8.290 nan 0.000 0.561 410 D N 0.324 120.735 120.400 0.018 0.000 2.449 410 D HA 0.030 4.670 4.640 -0.000 0.000 0.236 410 D C 0.939 177.250 176.300 0.018 0.000 1.149 410 D CA 0.590 54.600 54.000 0.018 0.000 0.878 410 D CB 0.347 41.157 40.800 0.016 0.000 1.198 410 D HN 0.415 nan 8.370 nan 0.000 0.446 411 N N -0.613 118.100 118.700 0.021 0.000 2.753 411 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 411 N C -0.634 174.891 175.510 0.024 0.000 1.097 411 N CA 0.297 53.361 53.050 0.024 0.000 0.786 411 N CB -1.410 37.088 38.487 0.019 0.000 1.137 411 N HN 0.143 nan 8.380 nan 0.000 0.566 412 V N 1.102 121.028 119.914 0.020 0.000 2.715 412 V HA 0.084 4.204 4.120 -0.000 0.000 0.299 412 V C 0.794 176.896 176.094 0.013 0.000 1.054 412 V CA 0.253 62.557 62.300 0.007 0.000 1.077 412 V CB 1.357 33.178 31.823 -0.004 0.000 0.972 412 V HN -0.003 nan 8.190 nan 0.000 0.484 413 K N 5.788 126.182 120.400 -0.010 0.000 2.507 413 K HA 0.518 4.838 4.320 -0.000 0.000 0.253 413 K C -0.858 175.688 176.600 -0.090 0.000 0.969 413 K CA -0.207 56.067 56.287 -0.021 0.000 0.908 413 K CB 1.867 34.367 32.500 -0.001 0.000 1.127 413 K HN 0.506 nan 8.250 nan 0.000 0.437 414 I N 5.603 126.097 120.570 -0.126 0.000 2.377 414 I HA 0.224 4.393 4.170 -0.000 0.000 0.282 414 I C 1.229 177.230 176.117 -0.193 0.000 1.091 414 I CA -0.126 61.078 61.300 -0.160 0.000 1.207 414 I CB 0.126 38.042 38.000 -0.140 0.000 1.429 414 I HN 0.562 nan 8.210 nan 0.000 0.491 415 I N 0.893 121.358 120.570 -0.175 0.000 4.403 415 I HA 0.323 4.493 4.170 -0.000 0.000 0.331 415 I C 0.727 176.781 176.117 -0.105 0.000 1.327 415 I CA -0.230 60.965 61.300 -0.175 0.000 1.175 415 I CB 0.252 38.147 38.000 -0.176 0.000 1.165 415 I HN 0.431 nan 8.210 nan 0.000 0.413 416 N N 3.475 122.119 118.700 -0.093 0.000 2.678 416 N HA -0.223 4.517 4.740 -0.000 0.000 0.268 416 N C 0.637 176.122 175.510 -0.042 0.000 1.010 416 N CA 0.784 53.796 53.050 -0.063 0.000 0.784 416 N CB -0.487 37.964 38.487 -0.061 0.000 0.905 416 N HN 0.559 nan 8.380 nan 0.000 0.552 417 K N 0.012 120.392 120.400 -0.035 0.000 2.063 417 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 417 K C 0.562 177.155 176.600 -0.013 0.000 1.048 417 K CA 1.559 57.834 56.287 -0.020 0.000 0.928 417 K CB -0.001 32.491 32.500 -0.013 0.000 0.713 417 K HN 0.446 nan 8.250 nan 0.000 0.442 418 D N 0.770 121.163 120.400 -0.012 0.000 2.378 418 D HA -0.100 4.540 4.640 -0.000 0.000 0.227 418 D C 0.177 176.472 176.300 -0.009 0.000 1.012 418 D CA 0.351 54.346 54.000 -0.008 0.000 0.905 418 D CB -0.213 40.584 40.800 -0.005 0.000 0.895 418 D HN 0.174 nan 8.370 nan 0.000 0.532 419 N N 0.655 119.347 118.700 -0.013 0.000 2.710 419 N HA -0.189 4.551 4.740 -0.000 0.000 0.249 419 N C -0.546 174.955 175.510 -0.015 0.000 1.059 419 N CA 0.049 53.090 53.050 -0.015 0.000 0.720 419 N CB -1.018 37.464 38.487 -0.008 0.000 0.983 419 N HN 0.009 nan 8.380 nan 0.000 0.544 420 V N 1.422 121.327 119.914 -0.016 0.000 2.694 420 V HA -0.117 4.003 4.120 -0.000 0.000 0.306 420 V C 1.654 177.733 176.094 -0.025 0.000 1.054 420 V CA 0.681 62.971 62.300 -0.018 0.000 1.161 420 V CB 1.443 33.260 31.823 -0.010 0.000 0.916 420 V HN 0.298 nan 8.190 nan 0.000 0.490 421 Q N 2.010 121.793 119.800 -0.029 0.000 2.259 421 Q HA 0.195 4.535 4.340 -0.000 0.000 0.201 421 Q C 0.676 176.648 176.000 -0.047 0.000 0.938 421 Q CA 0.805 56.589 55.803 -0.031 0.000 0.872 421 Q CB 0.462 29.187 28.738 -0.022 0.000 0.971 421 Q HN 0.740 nan 8.270 nan 0.000 0.494 422 E N -0.631 119.527 120.200 -0.070 0.000 2.292 422 E HA 0.646 4.995 4.350 -0.000 0.000 0.272 422 E C -1.721 174.773 176.600 -0.176 0.000 0.881 422 E CA -0.599 55.722 56.400 -0.132 0.000 0.754 422 E CB 2.272 31.910 29.700 -0.103 0.000 1.201 422 E HN 0.007 nan 8.360 nan 0.000 0.425 423 A N 2.173 124.802 122.820 -0.319 0.000 2.508 423 A HA 0.562 4.882 4.320 -0.000 0.000 0.297 423 A C -1.095 176.155 177.584 -0.557 0.000 1.036 423 A CA -0.113 51.742 52.037 -0.303 0.000 0.957 423 A CB 0.605 19.523 19.000 -0.136 0.000 1.428 423 A HN 0.482 nan 8.150 nan 0.000 0.393 424 A N 3.205 125.717 122.820 -0.515 0.000 2.376 424 A HA 0.635 4.955 4.320 -0.000 0.000 0.298 424 A C 0.391 177.825 177.584 -0.249 0.000 1.271 424 A CA -0.309 51.455 52.037 -0.455 0.000 0.926 424 A CB -0.095 18.843 19.000 -0.103 0.000 1.141 424 A HN 0.596 nan 8.150 nan 0.000 0.539 425 R N 2.819 123.127 120.500 -0.320 0.000 2.772 425 R HA 0.135 4.475 4.340 -0.000 0.000 0.358 425 R C -0.272 175.844 176.300 -0.308 0.000 1.143 425 R CA -0.111 55.723 56.100 -0.444 0.000 1.153 425 R CB 0.232 29.921 30.300 -1.018 0.000 1.329 425 R HN 0.800 nan 8.270 nan 0.000 0.615 426 E N 0.296 120.474 120.200 -0.037 0.000 2.160 426 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 426 E C 1.609 178.212 176.600 0.006 0.000 0.991 426 E CA 2.252 58.672 56.400 0.033 0.000 0.810 426 E CB -0.032 29.742 29.700 0.124 0.000 0.742 426 E HN 0.377 nan 8.360 nan 0.000 0.466 427 T N -0.947 113.600 114.554 -0.011 0.000 3.007 427 T HA -0.105 4.245 4.350 -0.000 0.000 0.270 427 T C 0.888 175.597 174.700 0.014 0.000 1.107 427 T CA 1.089 63.192 62.100 0.005 0.000 1.118 427 T CB -0.033 68.835 68.868 0.001 0.000 0.889 427 T HN -0.034 nan 8.240 nan 0.000 0.506 428 D N 0.908 121.305 120.400 -0.006 0.000 2.368 428 D HA 0.300 4.939 4.640 -0.000 0.000 0.218 428 D C 1.604 178.012 176.300 0.179 0.000 1.112 428 D CA 0.555 54.598 54.000 0.072 0.000 0.834 428 D CB 0.163 41.011 40.800 0.081 0.000 0.953 428 D HN 0.575 nan 8.370 nan 0.000 0.505 429 G N 1.013 109.884 108.800 0.119 0.000 2.179 429 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.260 429 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.260 429 G C 0.151 175.205 174.900 0.256 0.000 0.977 429 G CA 0.842 46.041 45.100 0.165 0.000 0.641 429 G HN 0.501 nan 8.290 nan 0.000 0.533 430 Y N -2.908 117.433 120.300 0.067 0.000 2.728 430 Y HA 0.821 5.371 4.550 -0.000 0.000 0.330 430 Y C -1.148 174.868 175.900 0.195 0.000 1.234 430 Y CA -2.599 55.558 58.100 0.094 0.000 1.070 430 Y CB 1.187 39.680 38.460 0.056 0.000 1.300 430 Y HN 0.473 nan 8.280 nan 0.000 0.467 431 F N 2.181 122.243 119.950 0.187 0.000 2.689 431 F HA 0.598 5.125 4.527 -0.000 0.000 0.332 431 F C -1.796 174.094 175.800 0.150 0.000 1.209 431 F CA -0.911 57.134 58.000 0.074 0.000 1.028 431 F CB 1.201 40.221 39.000 0.033 0.000 1.291 431 F HN 0.515 nan 8.300 nan 0.000 0.500 432 I N 6.186 126.721 120.570 -0.058 0.000 2.353 432 I HA 0.429 4.599 4.170 -0.000 0.000 0.293 432 I C -0.445 175.615 176.117 -0.095 0.000 0.992 432 I CA -0.703 60.597 61.300 0.001 0.000 1.268 432 I CB 1.449 39.454 38.000 0.008 0.000 1.387 432 I HN 0.365 nan 8.210 nan 0.000 0.478 433 K N 3.900 124.330 120.400 0.050 0.000 2.553 433 K HA 0.273 4.592 4.320 -0.000 0.000 0.250 433 K C -0.328 176.292 176.600 0.034 0.000 0.953 433 K CA -0.358 55.978 56.287 0.082 0.000 0.800 433 K CB 1.890 34.544 32.500 0.257 0.000 1.243 433 K HN 0.635 nan 8.250 nan 0.000 0.435 434 S N 1.659 117.366 115.700 0.013 0.000 3.587 434 S HA -0.225 4.244 4.470 -0.000 0.000 0.337 434 S C 0.817 175.394 174.600 -0.039 0.000 1.119 434 S CA 1.553 59.750 58.200 -0.005 0.000 0.976 434 S CB -1.481 61.724 63.200 0.008 0.000 0.922 434 S HN 1.166 nan 8.310 nan 0.000 0.503 435 G N -0.427 108.348 108.800 -0.041 0.000 2.184 435 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.264 435 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.264 435 G C 0.029 174.872 174.900 -0.093 0.000 0.975 435 G CA 0.380 45.447 45.100 -0.055 0.000 0.642 435 G HN 0.764 nan 8.290 nan 0.000 0.536 436 I N 1.410 121.911 120.570 -0.115 0.000 2.315 436 I HA 0.396 4.566 4.170 -0.000 0.000 0.291 436 I C 0.590 176.678 176.117 -0.049 0.000 1.006 436 I CA -0.965 60.229 61.300 -0.177 0.000 1.265 436 I CB 1.723 39.544 38.000 -0.297 0.000 1.387 436 I HN -0.121 nan 8.210 nan 0.000 0.475 437 V N 5.723 125.612 119.914 -0.042 0.000 2.461 437 V HA 0.196 4.316 4.120 -0.000 0.000 0.275 437 V C 0.368 176.496 176.094 0.056 0.000 1.047 437 V CA -0.035 62.276 62.300 0.018 0.000 0.955 437 V CB 1.169 32.950 31.823 -0.070 0.000 0.988 437 V HN 0.710 nan 8.190 nan 0.000 0.471 438 T N 4.946 119.582 114.554 0.138 0.000 2.809 438 T HA 0.399 4.748 4.350 -0.000 0.000 0.296 438 T C -0.223 174.562 174.700 0.143 0.000 1.015 438 T CA -0.287 61.886 62.100 0.123 0.000 0.954 438 T CB 1.298 70.234 68.868 0.113 0.000 0.950 438 T HN 0.332 nan 8.240 nan 0.000 0.450 439 V N 5.547 125.514 119.914 0.089 0.000 2.461 439 V HA 0.312 4.431 4.120 -0.000 0.000 0.275 439 V C 0.694 176.821 176.094 0.054 0.000 1.047 439 V CA -0.678 61.677 62.300 0.093 0.000 0.955 439 V CB 0.638 32.489 31.823 0.048 0.000 0.988 439 V HN 0.782 nan 8.190 nan 0.000 0.471 440 I N 4.426 125.028 120.570 0.054 0.000 2.754 440 I HA 0.115 4.285 4.170 -0.000 0.000 0.285 440 I C 0.904 177.016 176.117 -0.010 0.000 1.166 440 I CA -0.035 61.259 61.300 -0.010 0.000 1.417 440 I CB 0.352 38.338 38.000 -0.022 0.000 1.382 440 I HN 0.619 nan 8.210 nan 0.000 0.588 441 K N 5.820 126.199 120.400 -0.035 0.000 2.530 441 K HA -0.130 4.190 4.320 -0.000 0.000 0.280 441 K C 0.011 176.611 176.600 0.001 0.000 1.004 441 K CA 0.358 56.634 56.287 -0.019 0.000 1.071 441 K CB 0.217 32.702 32.500 -0.026 0.000 0.876 441 K HN 0.687 nan 8.250 nan 0.000 0.487 442 D N 0.156 120.563 120.400 0.012 0.000 3.046 442 D HA -0.208 4.431 4.640 -0.000 0.000 0.210 442 D C -0.321 175.998 176.300 0.033 0.000 1.124 442 D CA 1.436 55.454 54.000 0.030 0.000 0.986 442 D CB -1.364 39.462 40.800 0.043 0.000 1.118 442 D HN 0.707 nan 8.370 nan 0.000 0.416 443 A N 0.028 122.866 122.820 0.030 0.000 2.386 443 A HA 0.492 4.811 4.320 -0.000 0.000 0.248 443 A C 0.190 177.800 177.584 0.044 0.000 1.082 443 A CA -0.201 51.862 52.037 0.043 0.000 0.789 443 A CB 0.617 19.652 19.000 0.059 0.000 1.025 443 A HN 0.257 nan 8.150 nan 0.000 0.490 444 L N 3.025 124.277 121.223 0.049 0.000 2.298 444 L HA 0.538 4.878 4.340 -0.000 0.000 0.284 444 L C -1.069 175.832 176.870 0.052 0.000 1.013 444 L CA -0.261 54.606 54.840 0.045 0.000 0.824 444 L CB 1.138 43.222 42.059 0.042 0.000 1.221 444 L HN 0.501 nan 8.230 nan 0.000 0.418 445 I N 7.064 127.660 120.570 0.043 0.000 2.330 445 I HA 0.366 4.535 4.170 -0.000 0.000 0.286 445 I C -2.128 174.007 176.117 0.031 0.000 1.025 445 I CA -2.149 59.176 61.300 0.042 0.000 1.197 445 I CB 0.911 38.924 38.000 0.021 0.000 1.358 445 I HN 0.445 nan 8.210 nan 0.000 0.467 446 P HA -0.027 nan 4.420 nan 0.000 0.265 446 P C 0.362 177.676 177.300 0.022 0.000 1.187 446 P CA 0.277 63.395 63.100 0.029 0.000 0.766 446 P CB 0.551 32.270 31.700 0.032 0.000 0.820 447 S N 2.411 118.123 115.700 0.020 0.000 2.561 447 S HA 0.231 4.701 4.470 -0.000 0.000 0.294 447 S C 1.608 176.218 174.600 0.016 0.000 1.294 447 S CA 1.203 59.413 58.200 0.017 0.000 1.055 447 S CB -1.081 62.130 63.200 0.017 0.000 0.819 447 S HN 0.901 nan 8.310 nan 0.000 0.503 448 G N 3.691 112.499 108.800 0.014 0.000 2.225 448 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.254 448 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.254 448 G C 0.260 175.165 174.900 0.010 0.000 0.988 448 G CA 0.093 45.201 45.100 0.013 0.000 0.625 448 G HN 0.694 nan 8.290 nan 0.000 0.527 449 I N 1.631 122.206 120.570 0.007 0.000 2.710 449 I HA 0.236 4.406 4.170 -0.000 0.000 0.286 449 I C 0.941 177.046 176.117 -0.019 0.000 1.181 449 I CA 0.197 61.498 61.300 0.000 0.000 1.430 449 I CB 0.495 38.497 38.000 0.002 0.000 1.367 449 I HN 0.110 nan 8.210 nan 0.000 0.577 450 I N 7.748 128.306 120.570 -0.021 0.000 2.410 450 I HA 0.419 4.589 4.170 -0.000 0.000 0.286 450 I C 0.116 176.195 176.117 -0.062 0.000 1.009 450 I CA -0.334 60.944 61.300 -0.037 0.000 1.111 450 I CB 1.513 39.503 38.000 -0.016 0.000 1.262 450 I HN 0.388 nan 8.210 nan 0.000 0.443 451 I N 0.000 120.498 120.570 -0.120 0.000 2.984 451 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 451 I CA 0.000 61.192 61.300 -0.180 0.000 1.566 451 I CB 0.000 37.747 38.000 -0.422 0.000 1.214 451 I HN 0.000 nan 8.210 nan 0.000 0.494