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 3gqb_1_D DATA FIRST_RESID 5 DATA SEQUENCE KKEYTGITYI SGPLLFVENA KDLAYGAIVD IKDGTGRVRG GQVIEVSEEY DATA SEQUENCE AVIQVFEETT GLDLATTSVS LVEDVARLGV SKEMLGRRFN GIGKPIDGLP DATA SEQUENCE PITPEKRLPI TGLPLNPVAR RKPEQFIQTG ISTIDVMNTL VRGQKLPIFS DATA SEQUENCE GSGLPANEIA AQIARQATVR PDLSGEGEKE EPFAVVFAAM GITQRELSYF DATA SEQUENCE IQEFERTGAL SRSVLFLNKA DDPTIERILT PRMALTVAEY LAFEHDYHVL DATA SEQUENCE VILTDMTNYS EALREIGAAR EEIPGRRGYP GYMYTDLATI YERAGVVEGK DATA SEQUENCE KGSVTQIPIL SMPDDDRTHP IPDLTGYITE GQIQLSRELH RKGIYPPIDP DATA SEQUENCE LPSLSRLMNN GVGKGKTRED HKQVSDQLYS AYANGVDIRK LVAIIGEDAL DATA SEQUENCE TENDRRYLQF ADAFERFFIN QGQQNRSIEE SLQIAWALLS MLPQGELKRI DATA SEQUENCE SKDHIGKYYG 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.552 176.600 -0.080 0.000 0.988 5 K CA 0.000 56.264 56.287 -0.038 0.000 0.838 5 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 6 K N 1.345 121.669 120.400 -0.127 0.000 2.527 6 K HA 0.018 4.338 4.320 -0.000 0.000 0.278 6 K C -0.382 176.037 176.600 -0.302 0.000 0.981 6 K CA 0.341 56.459 56.287 -0.282 0.000 1.009 6 K CB 0.322 32.538 32.500 -0.473 0.000 0.895 6 K HN 0.395 nan 8.250 nan 0.000 0.493 7 E N 2.276 122.276 120.200 -0.334 0.000 2.187 7 E HA 0.210 4.560 4.350 -0.000 0.000 0.268 7 E C -1.176 175.227 176.600 -0.327 0.000 0.896 7 E CA -0.643 55.626 56.400 -0.219 0.000 0.766 7 E CB 1.219 30.863 29.700 -0.093 0.000 1.142 7 E HN 0.317 nan 8.360 nan 0.000 0.408 8 Y N 0.556 120.861 120.300 0.008 0.000 2.335 8 Y HA 0.177 4.727 4.550 -0.000 0.000 0.339 8 Y C 1.530 177.440 175.900 0.017 0.000 0.987 8 Y CA -0.513 57.596 58.100 0.015 0.000 1.140 8 Y CB 1.455 39.927 38.460 0.020 0.000 1.173 8 Y HN 0.394 nan 8.280 nan 0.000 0.486 9 T N -2.345 112.289 114.554 0.133 0.000 3.010 9 T HA 0.167 4.516 4.350 -0.000 0.000 0.257 9 T C 1.245 175.996 174.700 0.086 0.000 1.020 9 T CA 0.185 62.336 62.100 0.085 0.000 0.938 9 T CB 0.137 69.030 68.868 0.041 0.000 1.049 9 T HN 0.761 nan 8.240 nan 0.000 0.522 10 G N 2.563 111.430 108.800 0.111 0.000 3.197 10 G HA2 0.428 4.388 3.960 -0.000 0.000 0.257 10 G HA3 0.428 4.388 3.960 -0.000 0.000 0.257 10 G C 0.128 175.085 174.900 0.096 0.000 0.835 10 G CA -0.592 44.564 45.100 0.094 0.000 2.001 10 G HN 0.604 nan 8.290 nan 0.000 0.625 11 I N 1.661 122.280 120.570 0.081 0.000 2.452 11 I HA 0.079 4.248 4.170 -0.000 0.000 0.287 11 I C 1.550 177.702 176.117 0.058 0.000 1.079 11 I CA 0.042 61.389 61.300 0.079 0.000 1.387 11 I CB 1.236 39.271 38.000 0.059 0.000 1.404 11 I HN 0.320 nan 8.210 nan 0.000 0.522 12 T N 2.428 117.022 114.554 0.067 0.000 3.001 12 T HA 0.119 4.469 4.350 -0.000 0.000 0.251 12 T C -0.105 174.617 174.700 0.038 0.000 1.040 12 T CA -0.087 62.032 62.100 0.032 0.000 0.985 12 T CB 0.125 68.993 68.868 0.002 0.000 1.011 12 T HN 0.550 nan 8.240 nan 0.000 0.509 13 Y N 0.078 120.273 120.300 -0.174 0.000 2.393 13 Y HA 0.539 5.089 4.550 -0.000 0.000 0.320 13 Y C -2.450 173.301 175.900 -0.249 0.000 1.241 13 Y CA -1.581 56.334 58.100 -0.308 0.000 1.122 13 Y CB 1.112 39.181 38.460 -0.651 0.000 1.322 13 Y HN 0.139 nan 8.280 nan 0.000 0.441 14 I N 5.008 125.231 120.570 -0.579 0.000 2.533 14 I HA 0.649 4.819 4.170 -0.000 0.000 0.290 14 I C -0.802 174.938 176.117 -0.629 0.000 1.056 14 I CA -0.778 60.281 61.300 -0.402 0.000 1.057 14 I CB 2.197 40.080 38.000 -0.195 0.000 1.240 14 I HN 0.551 nan 8.210 nan 0.000 0.423 15 S N 3.330 118.812 115.700 -0.363 0.000 2.584 15 S HA 0.686 5.156 4.470 -0.000 0.000 0.280 15 S C 0.029 174.608 174.600 -0.035 0.000 1.162 15 S CA 0.336 58.389 58.200 -0.246 0.000 0.951 15 S CB 1.284 64.302 63.200 -0.303 0.000 1.108 15 S HN 1.257 nan 8.310 nan 0.000 0.464 16 G N 5.968 114.750 108.800 -0.031 0.000 2.591 16 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.298 16 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.298 16 G C -1.795 173.122 174.900 0.029 0.000 1.195 16 G CA 0.392 45.500 45.100 0.013 0.000 0.989 16 G HN 0.678 nan 8.290 nan 0.000 0.551 17 P HA 0.291 nan 4.420 nan 0.000 0.255 17 P C 0.567 177.924 177.300 0.095 0.000 1.248 17 P CA 0.378 63.520 63.100 0.070 0.000 0.807 17 P CB 0.120 31.869 31.700 0.081 0.000 1.150 18 L N 1.227 122.535 121.223 0.142 0.000 2.289 18 L HA 0.405 4.745 4.340 -0.000 0.000 0.285 18 L C 0.172 177.203 176.870 0.269 0.000 1.049 18 L CA -1.232 53.754 54.840 0.243 0.000 0.804 18 L CB 1.275 43.577 42.059 0.406 0.000 1.195 18 L HN -0.134 nan 8.230 nan 0.000 0.428 19 L N 1.316 122.709 121.223 0.283 0.000 2.354 19 L HA 0.711 5.051 4.340 -0.000 0.000 0.269 19 L C -1.326 175.881 176.870 0.561 0.000 1.005 19 L CA -0.296 54.739 54.840 0.325 0.000 0.819 19 L CB 1.532 43.670 42.059 0.133 0.000 1.311 19 L HN 0.132 nan 8.230 nan 0.000 0.423 20 F N 2.900 122.907 119.950 0.096 0.000 2.444 20 F HA 0.703 5.230 4.527 -0.000 0.000 0.342 20 F C -0.041 175.782 175.800 0.038 0.000 1.121 20 F CA -1.227 56.801 58.000 0.048 0.000 0.997 20 F CB 2.016 40.914 39.000 -0.171 0.000 1.130 20 F HN 0.355 nan 8.300 nan 0.000 0.454 21 V N 2.234 122.278 119.914 0.216 0.000 2.398 21 V HA 0.400 4.519 4.120 -0.000 0.000 0.286 21 V C 0.120 176.314 176.094 0.167 0.000 1.026 21 V CA -1.088 61.297 62.300 0.141 0.000 0.868 21 V CB 1.340 33.189 31.823 0.043 0.000 0.982 21 V HN 0.669 nan 8.190 nan 0.000 0.443 22 E N 2.501 122.795 120.200 0.158 0.000 2.342 22 E HA 0.241 4.591 4.350 -0.000 0.000 0.257 22 E C 0.021 176.701 176.600 0.134 0.000 1.150 22 E CA -0.452 56.046 56.400 0.164 0.000 0.926 22 E CB 0.249 30.028 29.700 0.131 0.000 1.074 22 E HN 0.735 nan 8.360 nan 0.000 0.449 23 N N -0.040 118.732 118.700 0.119 0.000 2.705 23 N HA -0.229 4.510 4.740 -0.000 0.000 0.255 23 N C -0.800 174.791 175.510 0.135 0.000 1.008 23 N CA 1.032 54.151 53.050 0.116 0.000 0.742 23 N CB -0.894 37.669 38.487 0.126 0.000 0.906 23 N HN 0.496 nan 8.380 nan 0.000 0.541 24 A N -0.723 122.111 122.820 0.023 0.000 2.609 24 A HA 0.145 4.464 4.320 -0.000 0.000 0.286 24 A C 1.560 179.076 177.584 -0.112 0.000 1.138 24 A CA -0.281 51.669 52.037 -0.144 0.000 0.960 24 A CB 0.359 19.129 19.000 -0.384 0.000 1.208 24 A HN 0.214 nan 8.150 nan 0.000 0.541 25 K N 0.983 121.363 120.400 -0.034 0.000 2.277 25 K HA -0.273 4.047 4.320 -0.000 0.000 0.206 25 K C 0.753 177.342 176.600 -0.018 0.000 1.044 25 K CA 2.007 58.277 56.287 -0.029 0.000 0.932 25 K CB -0.104 32.395 32.500 -0.002 0.000 0.726 25 K HN 0.792 nan 8.250 nan 0.000 0.473 26 D N -0.397 120.011 120.400 0.015 0.000 2.340 26 D HA -0.006 4.634 4.640 -0.000 0.000 0.220 26 D C 0.489 176.797 176.300 0.014 0.000 1.039 26 D CA 0.116 54.144 54.000 0.046 0.000 0.866 26 D CB -0.128 40.745 40.800 0.120 0.000 0.913 26 D HN 0.069 nan 8.370 nan 0.000 0.523 27 L N 1.119 122.291 121.223 -0.086 0.000 2.319 27 L HA 0.448 4.788 4.340 -0.000 0.000 0.280 27 L C 0.516 177.353 176.870 -0.055 0.000 1.099 27 L CA -0.875 53.901 54.840 -0.107 0.000 0.828 27 L CB 1.026 42.942 42.059 -0.239 0.000 1.150 27 L HN 0.017 nan 8.230 nan 0.000 0.442 28 A N 4.050 126.856 122.820 -0.022 0.000 2.371 28 A HA 0.130 4.449 4.320 -0.000 0.000 0.257 28 A C -0.667 176.930 177.584 0.022 0.000 1.089 28 A CA -0.290 51.755 52.037 0.013 0.000 0.794 28 A CB 0.123 19.135 19.000 0.020 0.000 1.029 28 A HN 0.613 nan 8.150 nan 0.000 0.488 29 Y N 1.621 121.885 120.300 -0.061 0.000 2.721 29 Y HA 0.326 4.876 4.550 -0.000 0.000 0.329 29 Y C 1.362 177.235 175.900 -0.045 0.000 1.211 29 Y CA 1.231 59.293 58.100 -0.063 0.000 1.512 29 Y CB 0.138 38.559 38.460 -0.065 0.000 1.249 29 Y HN 1.526 nan 8.280 nan 0.000 0.549 30 G N 3.297 111.679 108.800 -0.697 0.000 2.176 30 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.253 30 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.253 30 G C 0.257 175.027 174.900 -0.217 0.000 0.979 30 G CA -0.064 44.718 45.100 -0.530 0.000 0.641 30 G HN 1.337 nan 8.290 nan 0.000 0.530 31 A N 0.780 123.509 122.820 -0.152 0.000 2.498 31 A HA 0.550 4.869 4.320 -0.000 0.000 0.239 31 A C 0.785 178.332 177.584 -0.062 0.000 1.068 31 A CA 0.114 52.105 52.037 -0.078 0.000 0.766 31 A CB 0.214 19.178 19.000 -0.060 0.000 1.003 31 A HN 0.641 nan 8.150 nan 0.000 0.497 32 I N 3.050 123.610 120.570 -0.016 0.000 2.441 32 I HA 0.296 4.466 4.170 -0.000 0.000 0.287 32 I C 0.566 176.668 176.117 -0.026 0.000 1.049 32 I CA 0.176 61.485 61.300 0.015 0.000 1.381 32 I CB 0.332 38.378 38.000 0.076 0.000 1.409 32 I HN 0.511 nan 8.210 nan 0.000 0.523 33 V N 2.995 122.858 119.914 -0.086 0.000 3.074 33 V HA 0.714 4.834 4.120 -0.000 0.000 0.314 33 V C -0.658 175.383 176.094 -0.088 0.000 1.117 33 V CA -0.860 61.395 62.300 -0.074 0.000 1.014 33 V CB 2.634 34.406 31.823 -0.086 0.000 1.057 33 V HN 0.536 nan 8.190 nan 0.000 0.438 34 D N 0.842 121.220 120.400 -0.036 0.000 2.252 34 D HA 0.739 5.379 4.640 -0.000 0.000 0.245 34 D C -0.937 175.350 176.300 -0.023 0.000 1.009 34 D CA -0.080 53.903 54.000 -0.027 0.000 0.870 34 D CB 2.043 42.847 40.800 0.007 0.000 1.251 34 D HN 0.676 nan 8.370 nan 0.000 0.460 35 I N 1.999 122.552 120.570 -0.029 0.000 2.497 35 I HA 0.197 4.367 4.170 -0.000 0.000 0.284 35 I C -0.297 175.817 176.117 -0.005 0.000 1.060 35 I CA -0.816 60.473 61.300 -0.018 0.000 1.071 35 I CB 1.478 39.451 38.000 -0.045 0.000 1.216 35 I HN 0.117 nan 8.210 nan 0.000 0.442 36 K N 4.358 124.762 120.400 0.006 0.000 2.159 36 K HA 0.589 4.909 4.320 -0.000 0.000 0.266 36 K C -1.100 175.503 176.600 0.006 0.000 0.975 36 K CA -0.826 55.465 56.287 0.006 0.000 0.865 36 K CB 1.912 34.417 32.500 0.008 0.000 1.087 36 K HN 0.448 nan 8.250 nan 0.000 0.446 37 D N 1.963 122.366 120.400 0.004 0.000 2.478 37 D HA 0.151 4.791 4.640 -0.000 0.000 0.263 37 D C 1.075 177.376 176.300 0.002 0.000 1.153 37 D CA -0.584 53.417 54.000 0.002 0.000 1.038 37 D CB 0.602 41.401 40.800 -0.001 0.000 1.120 37 D HN 0.588 nan 8.370 nan 0.000 0.564 38 G N -0.680 108.120 108.800 -0.000 0.000 2.491 38 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.218 38 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.218 38 G C 1.472 176.372 174.900 -0.000 0.000 1.180 38 G CA 2.234 47.334 45.100 -0.001 0.000 0.774 38 G HN 0.755 nan 8.290 nan 0.000 0.562 39 T N -1.492 113.062 114.554 -0.000 0.000 2.918 39 T HA 0.193 4.543 4.350 -0.000 0.000 0.271 39 T C 2.067 176.769 174.700 0.002 0.000 1.104 39 T CA 1.476 63.577 62.100 0.001 0.000 1.114 39 T CB -0.434 68.435 68.868 0.001 0.000 0.855 39 T HN 1.637 nan 8.240 nan 0.000 0.518 40 G N 1.100 109.902 108.800 0.003 0.000 2.195 40 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.246 40 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.246 40 G C 0.189 175.093 174.900 0.006 0.000 0.984 40 G CA 0.158 45.260 45.100 0.004 0.000 0.633 40 G HN 0.896 nan 8.290 nan 0.000 0.525 41 R N 0.472 120.976 120.500 0.007 0.000 2.590 41 R HA 0.460 4.800 4.340 -0.000 0.000 0.274 41 R C -0.252 176.054 176.300 0.011 0.000 1.061 41 R CA 0.117 56.223 56.100 0.010 0.000 1.081 41 R CB 0.506 30.813 30.300 0.010 0.000 0.984 41 R HN 0.104 nan 8.270 nan 0.000 0.448 42 V N 4.940 124.863 119.914 0.015 0.000 2.581 42 V HA 0.530 4.650 4.120 -0.000 0.000 0.303 42 V C -0.045 176.061 176.094 0.020 0.000 1.041 42 V CA -0.682 61.627 62.300 0.015 0.000 0.907 42 V CB 1.864 33.698 31.823 0.017 0.000 0.994 42 V HN 0.816 nan 8.190 nan 0.000 0.442 43 R N 1.351 121.856 120.500 0.008 0.000 2.673 43 R HA 0.619 4.958 4.340 -0.000 0.000 0.281 43 R C -0.126 176.147 176.300 -0.045 0.000 0.991 43 R CA -0.591 55.513 56.100 0.005 0.000 0.896 43 R CB 2.293 32.589 30.300 -0.006 0.000 1.201 43 R HN 0.920 nan 8.270 nan 0.000 0.457 44 G N 0.166 108.949 108.800 -0.028 0.000 2.448 44 G HA2 0.591 4.551 3.960 -0.000 0.000 0.285 44 G HA3 0.591 4.551 3.960 -0.000 0.000 0.285 44 G C -0.479 173.834 174.900 -0.978 0.000 1.176 44 G CA -0.161 44.792 45.100 -0.245 0.000 0.852 44 G HN 0.664 nan 8.290 nan 0.000 0.530 45 G N -0.829 107.156 108.800 -1.359 0.000 2.663 45 G HA2 0.591 4.551 3.960 -0.000 0.000 0.299 45 G HA3 0.591 4.551 3.960 -0.000 0.000 0.299 45 G C -1.625 172.750 174.900 -0.875 0.000 1.372 45 G CA -0.522 43.750 45.100 -1.380 0.000 0.781 45 G HN 0.756 nan 8.290 nan 0.000 0.491 46 Q N -0.392 119.182 119.800 -0.376 0.000 2.315 46 Q HA 0.538 4.878 4.340 -0.000 0.000 0.273 46 Q C -1.343 174.581 176.000 -0.127 0.000 1.053 46 Q CA -0.671 55.064 55.803 -0.113 0.000 0.817 46 Q CB 2.786 31.587 28.738 0.104 0.000 1.326 46 Q HN 0.440 nan 8.270 nan 0.000 0.423 47 V N 6.333 126.158 119.914 -0.149 0.000 2.415 47 V HA 0.066 4.185 4.120 -0.000 0.000 0.267 47 V C 1.031 176.993 176.094 -0.220 0.000 1.042 47 V CA 0.477 62.682 62.300 -0.157 0.000 1.000 47 V CB 0.168 31.903 31.823 -0.147 0.000 1.015 47 V HN 0.768 nan 8.190 nan 0.000 0.478 48 I N 1.233 121.724 120.570 -0.133 0.000 4.018 48 I HA 0.545 4.715 4.170 -0.000 0.000 0.337 48 I C 0.525 176.697 176.117 0.092 0.000 1.327 48 I CA 0.251 61.492 61.300 -0.098 0.000 1.100 48 I CB 0.432 38.416 38.000 -0.028 0.000 1.025 48 I HN 0.653 nan 8.210 nan 0.000 0.396 49 E N 1.605 121.835 120.200 0.050 0.000 2.388 49 E HA 0.532 4.881 4.350 -0.000 0.000 0.282 49 E C -1.790 174.772 176.600 -0.063 0.000 1.026 49 E CA -0.698 55.731 56.400 0.047 0.000 0.820 49 E CB 2.950 32.614 29.700 -0.060 0.000 1.226 49 E HN 0.063 nan 8.360 nan 0.000 0.432 50 V N 0.544 120.405 119.914 -0.088 0.000 2.777 50 V HA 0.810 4.930 4.120 -0.000 0.000 0.306 50 V C -0.438 175.538 176.094 -0.196 0.000 1.112 50 V CA -0.369 61.847 62.300 -0.140 0.000 0.917 50 V CB 0.975 32.763 31.823 -0.058 0.000 1.018 50 V HN 0.809 nan 8.190 nan 0.000 0.426 51 S N 1.549 117.091 115.700 -0.262 0.000 2.819 51 S HA 0.551 5.021 4.470 -0.000 0.000 0.299 51 S C 0.460 174.951 174.600 -0.183 0.000 1.192 51 S CA -0.336 57.719 58.200 -0.242 0.000 0.847 51 S CB 1.923 64.918 63.200 -0.342 0.000 1.224 51 S HN 0.691 nan 8.310 nan 0.000 0.537 52 E N 0.586 120.705 120.200 -0.136 0.000 2.106 52 E HA -0.127 4.222 4.350 -0.000 0.000 0.192 52 E C 1.356 177.923 176.600 -0.056 0.000 0.984 52 E CA 1.174 57.529 56.400 -0.075 0.000 0.806 52 E CB -0.156 29.516 29.700 -0.048 0.000 0.750 52 E HN 0.529 nan 8.360 nan 0.000 0.458 53 E N 0.057 120.202 120.200 -0.091 0.000 2.047 53 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 53 E C 0.491 177.186 176.600 0.158 0.000 0.987 53 E CA 1.220 57.646 56.400 0.043 0.000 0.799 53 E CB -0.107 29.668 29.700 0.125 0.000 0.752 53 E HN 0.394 nan 8.360 nan 0.000 0.449 54 Y N -3.592 116.686 120.300 -0.037 0.000 2.774 54 Y HA 0.626 5.175 4.550 -0.000 0.000 0.346 54 Y C -1.511 174.313 175.900 -0.127 0.000 1.222 54 Y CA -1.477 56.592 58.100 -0.052 0.000 1.088 54 Y CB 0.583 39.048 38.460 0.008 0.000 1.354 54 Y HN -0.108 nan 8.280 nan 0.000 0.455 55 A N 1.090 123.931 122.820 0.035 0.000 2.337 55 A HA 0.784 5.104 4.320 -0.000 0.000 0.329 55 A C -1.457 176.088 177.584 -0.066 0.000 1.146 55 A CA -0.907 51.074 52.037 -0.093 0.000 0.800 55 A CB 1.290 20.215 19.000 -0.124 0.000 1.220 55 A HN 0.819 nan 8.150 nan 0.000 0.472 56 V N 3.371 123.171 119.914 -0.190 0.000 2.383 56 V HA 0.359 4.479 4.120 -0.000 0.000 0.275 56 V C -0.210 175.823 176.094 -0.101 0.000 1.036 56 V CA -0.023 62.118 62.300 -0.265 0.000 0.889 56 V CB 0.829 32.414 31.823 -0.397 0.000 0.985 56 V HN 0.713 nan 8.190 nan 0.000 0.459 57 I N 4.030 124.587 120.570 -0.022 0.000 2.404 57 I HA 0.379 4.548 4.170 -0.000 0.000 0.293 57 I C 0.098 176.216 176.117 0.000 0.000 0.992 57 I CA -0.245 61.031 61.300 -0.039 0.000 1.149 57 I CB 1.803 39.768 38.000 -0.059 0.000 1.315 57 I HN 0.637 nan 8.210 nan 0.000 0.446 58 Q N 5.944 125.730 119.800 -0.023 0.000 2.360 58 Q HA 0.388 4.728 4.340 -0.000 0.000 0.254 58 Q C -1.227 174.745 176.000 -0.046 0.000 0.975 58 Q CA -0.616 55.201 55.803 0.023 0.000 0.912 58 Q CB 1.219 30.000 28.738 0.072 0.000 1.212 58 Q HN 0.491 nan 8.270 nan 0.000 0.452 59 V N 5.796 125.692 119.914 -0.031 0.000 2.637 59 V HA -0.026 4.094 4.120 -0.000 0.000 0.296 59 V C 0.812 176.948 176.094 0.070 0.000 1.046 59 V CA 0.130 62.373 62.300 -0.095 0.000 1.066 59 V CB 0.290 32.095 31.823 -0.031 0.000 0.968 59 V HN 0.812 nan 8.190 nan 0.000 0.483 60 F N 1.620 121.577 119.950 0.012 0.000 2.074 60 F HA 0.054 4.580 4.527 -0.000 0.000 0.293 60 F C 1.414 177.221 175.800 0.012 0.000 1.116 60 F CA 0.475 58.481 58.000 0.010 0.000 1.212 60 F CB -0.566 38.439 39.000 0.009 0.000 0.998 60 F HN 0.482 nan 8.300 nan 0.000 0.471 61 E N 0.328 120.652 120.200 0.207 0.000 2.359 61 E HA 0.131 4.481 4.350 -0.000 0.000 0.255 61 E C 0.426 177.071 176.600 0.074 0.000 1.191 61 E CA -0.624 55.846 56.400 0.117 0.000 0.952 61 E CB 0.079 29.834 29.700 0.091 0.000 1.152 61 E HN 0.099 nan 8.360 nan 0.000 0.496 62 E N -0.185 120.046 120.200 0.051 0.000 2.468 62 E HA -0.128 4.222 4.350 -0.000 0.000 0.263 62 E C 0.065 176.678 176.600 0.022 0.000 1.192 62 E CA 0.472 56.891 56.400 0.032 0.000 1.016 62 E CB 0.379 30.092 29.700 0.022 0.000 0.980 62 E HN 0.412 nan 8.360 nan 0.000 0.467 63 T N 0.025 114.584 114.554 0.009 0.000 3.054 63 T HA 0.065 4.415 4.350 -0.000 0.000 0.255 63 T C -0.187 174.506 174.700 -0.012 0.000 1.035 63 T CA 0.107 62.205 62.100 -0.003 0.000 0.941 63 T CB -0.111 68.750 68.868 -0.011 0.000 1.026 63 T HN 0.497 nan 8.240 nan 0.000 0.533 64 T N 1.540 116.090 114.554 -0.007 0.000 2.822 64 T HA 0.385 4.734 4.350 -0.000 0.000 0.288 64 T C 1.406 176.101 174.700 -0.009 0.000 0.991 64 T CA 0.913 63.007 62.100 -0.010 0.000 1.176 64 T CB 0.355 69.221 68.868 -0.005 0.000 0.951 64 T HN 0.493 nan 8.240 nan 0.000 0.526 65 G N 2.653 111.444 108.800 -0.015 0.000 2.284 65 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 65 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 65 G C 0.123 175.013 174.900 -0.015 0.000 1.009 65 G CA -0.608 44.484 45.100 -0.012 0.000 0.625 65 G HN 0.668 nan 8.290 nan 0.000 0.501 66 L N 2.510 123.722 121.223 -0.019 0.000 2.439 66 L HA 0.511 4.850 4.340 -0.000 0.000 0.269 66 L C 0.450 177.302 176.870 -0.029 0.000 1.179 66 L CA 0.384 55.211 54.840 -0.021 0.000 0.828 66 L CB 0.515 42.560 42.059 -0.022 0.000 1.106 66 L HN 0.594 nan 8.230 nan 0.000 0.467 67 D N 2.145 122.531 120.400 -0.024 0.000 2.652 67 D HA 0.238 4.878 4.640 -0.000 0.000 0.285 67 D C 0.167 176.454 176.300 -0.021 0.000 1.173 67 D CA -0.674 53.309 54.000 -0.029 0.000 0.981 67 D CB 1.787 42.574 40.800 -0.023 0.000 1.440 67 D HN 0.321 nan 8.370 nan 0.000 0.485 68 L N -0.404 120.805 121.223 -0.022 0.000 2.607 68 L HA 0.270 4.610 4.340 -0.000 0.000 0.228 68 L C 1.747 178.618 176.870 0.002 0.000 1.123 68 L CA 0.499 55.333 54.840 -0.010 0.000 0.890 68 L CB -0.007 42.041 42.059 -0.017 0.000 1.103 68 L HN 0.525 nan 8.230 nan 0.000 0.468 69 A N -0.259 122.560 122.820 -0.002 0.000 2.127 69 A HA 0.058 4.378 4.320 -0.000 0.000 0.204 69 A C 1.783 179.370 177.584 0.004 0.000 1.243 69 A CA 0.925 52.963 52.037 0.002 0.000 0.887 69 A CB 0.024 19.022 19.000 -0.003 0.000 0.933 69 A HN 0.306 nan 8.150 nan 0.000 0.479 70 T N -3.083 111.472 114.554 0.002 0.000 3.132 70 T HA 0.278 4.628 4.350 -0.000 0.000 0.274 70 T C 0.095 174.799 174.700 0.006 0.000 1.011 70 T CA 0.153 62.255 62.100 0.003 0.000 0.899 70 T CB 0.001 68.869 68.868 -0.000 0.000 1.089 70 T HN 0.035 nan 8.240 nan 0.000 0.543 71 T N 3.033 117.593 114.554 0.011 0.000 2.794 71 T HA 0.647 4.997 4.350 -0.000 0.000 0.280 71 T C -0.341 174.377 174.700 0.029 0.000 0.987 71 T CA -0.561 61.549 62.100 0.015 0.000 0.993 71 T CB 1.473 70.348 68.868 0.011 0.000 0.939 71 T HN 0.480 nan 8.240 nan 0.000 0.449 72 S N 2.291 118.010 115.700 0.032 0.000 2.521 72 S HA 0.761 5.231 4.470 -0.000 0.000 0.295 72 S C -0.588 174.051 174.600 0.064 0.000 1.098 72 S CA -0.697 57.534 58.200 0.052 0.000 0.999 72 S CB 1.172 64.393 63.200 0.034 0.000 1.034 72 S HN 0.396 nan 8.310 nan 0.000 0.483 73 V N 2.671 122.655 119.914 0.116 0.000 2.834 73 V HA 0.925 5.045 4.120 -0.000 0.000 0.313 73 V C 0.132 176.355 176.094 0.215 0.000 1.060 73 V CA -0.367 62.005 62.300 0.121 0.000 0.989 73 V CB 1.550 33.429 31.823 0.093 0.000 1.041 73 V HN 1.241 nan 8.190 nan 0.000 0.459 74 S N 2.374 118.170 115.700 0.161 0.000 2.543 74 S HA 0.521 4.991 4.470 -0.000 0.000 0.274 74 S C -1.196 173.477 174.600 0.123 0.000 1.149 74 S CA -0.744 57.571 58.200 0.191 0.000 0.866 74 S CB 1.353 64.606 63.200 0.088 0.000 1.111 74 S HN 0.754 nan 8.310 nan 0.000 0.457 75 L N 3.319 124.633 121.223 0.151 0.000 2.584 75 L HA 0.295 4.634 4.340 -0.000 0.000 0.272 75 L C 0.737 177.636 176.870 0.049 0.000 1.195 75 L CA 0.684 55.574 54.840 0.082 0.000 0.920 75 L CB 0.404 42.519 42.059 0.095 0.000 1.173 75 L HN 0.733 nan 8.230 nan 0.000 0.489 76 V N 3.585 123.518 119.914 0.031 0.000 2.795 76 V HA 0.255 4.374 4.120 -0.000 0.000 0.243 76 V C 0.598 176.708 176.094 0.026 0.000 1.069 76 V CA 0.787 63.104 62.300 0.029 0.000 1.089 76 V CB -0.229 31.614 31.823 0.033 0.000 0.756 76 V HN 0.909 nan 8.190 nan 0.000 0.471 77 E N -1.331 118.882 120.200 0.021 0.000 2.401 77 E HA 0.110 4.460 4.350 -0.000 0.000 0.283 77 E C -0.574 176.030 176.600 0.006 0.000 1.053 77 E CA -0.315 56.094 56.400 0.015 0.000 0.842 77 E CB 1.423 31.133 29.700 0.015 0.000 1.222 77 E HN 0.009 nan 8.360 nan 0.000 0.429 78 D N 0.800 121.203 120.400 0.004 0.000 2.234 78 D HA 0.063 4.702 4.640 -0.000 0.000 0.205 78 D C -0.056 176.236 176.300 -0.013 0.000 0.962 78 D CA 0.930 54.928 54.000 -0.003 0.000 0.855 78 D CB 0.662 41.464 40.800 0.004 0.000 0.951 78 D HN 0.058 nan 8.370 nan 0.000 0.500 79 V N 0.624 120.532 119.914 -0.011 0.000 2.709 79 V HA 0.424 4.543 4.120 -0.000 0.000 0.308 79 V C -0.392 175.694 176.094 -0.014 0.000 1.062 79 V CA -1.097 61.192 62.300 -0.018 0.000 0.901 79 V CB 1.809 33.623 31.823 -0.015 0.000 1.003 79 V HN 0.065 nan 8.190 nan 0.000 0.425 80 A N 5.761 128.571 122.820 -0.017 0.000 2.476 80 A HA 0.495 4.815 4.320 -0.000 0.000 0.275 80 A C 0.386 177.951 177.584 -0.032 0.000 1.133 80 A CA 0.231 52.260 52.037 -0.013 0.000 0.797 80 A CB -0.214 18.778 19.000 -0.014 0.000 1.081 80 A HN 0.795 nan 8.150 nan 0.000 0.510 81 R N 1.024 121.506 120.500 -0.029 0.000 2.902 81 R HA 0.750 5.090 4.340 -0.000 0.000 0.258 81 R C -1.488 174.779 176.300 -0.056 0.000 1.071 81 R CA -0.980 55.093 56.100 -0.046 0.000 1.024 81 R CB 1.502 31.779 30.300 -0.038 0.000 1.184 81 R HN 0.561 nan 8.270 nan 0.000 0.492 82 L N -0.173 121.001 121.223 -0.081 0.000 2.409 82 L HA 0.447 4.786 4.340 -0.000 0.000 0.272 82 L C -0.328 176.476 176.870 -0.109 0.000 0.980 82 L CA -0.064 54.720 54.840 -0.093 0.000 0.826 82 L CB 2.046 44.025 42.059 -0.133 0.000 1.268 82 L HN 0.758 nan 8.230 nan 0.000 0.407 83 G N 3.963 112.719 108.800 -0.074 0.000 2.307 83 G HA2 0.430 4.390 3.960 -0.000 0.000 0.271 83 G HA3 0.430 4.390 3.960 -0.000 0.000 0.271 83 G C -0.970 173.852 174.900 -0.130 0.000 1.191 83 G CA 0.025 45.079 45.100 -0.077 0.000 1.024 83 G HN 0.553 nan 8.290 nan 0.000 0.441 84 V N 2.614 122.398 119.914 -0.218 0.000 2.760 84 V HA 0.850 4.970 4.120 -0.000 0.000 0.309 84 V C -0.053 175.806 176.094 -0.391 0.000 1.077 84 V CA 0.153 62.248 62.300 -0.342 0.000 0.910 84 V CB 2.315 33.817 31.823 -0.536 0.000 1.008 84 V HN 1.293 nan 8.190 nan 0.000 0.424 85 S N 4.287 119.859 115.700 -0.214 0.000 2.790 85 S HA 0.511 4.981 4.470 -0.000 0.000 0.292 85 S C -0.027 174.685 174.600 0.186 0.000 1.197 85 S CA -0.140 58.063 58.200 0.005 0.000 0.851 85 S CB 1.701 64.931 63.200 0.051 0.000 1.217 85 S HN 0.883 nan 8.310 nan 0.000 0.526 86 K N -0.411 120.111 120.400 0.204 0.000 2.387 86 K HA 0.379 4.698 4.320 -0.000 0.000 0.198 86 K C 0.301 176.943 176.600 0.070 0.000 1.022 86 K CA -0.027 56.312 56.287 0.085 0.000 1.128 86 K CB 0.107 32.693 32.500 0.143 0.000 0.853 86 K HN 0.364 nan 8.250 nan 0.000 0.523 87 E N 0.972 121.221 120.200 0.082 0.000 2.403 87 E HA 0.131 4.481 4.350 -0.000 0.000 0.188 87 E C 0.750 177.391 176.600 0.068 0.000 1.056 87 E CA 0.181 56.624 56.400 0.071 0.000 0.892 87 E CB 0.184 29.928 29.700 0.073 0.000 1.049 87 E HN 0.513 nan 8.360 nan 0.000 0.465 88 M N 0.009 119.643 119.600 0.057 0.000 2.618 88 M HA 0.104 4.583 4.480 -0.000 0.000 0.240 88 M C 0.765 177.104 176.300 0.065 0.000 1.123 88 M CA 0.293 55.651 55.300 0.096 0.000 1.060 88 M CB 0.099 32.709 32.600 0.017 0.000 1.535 88 M HN -0.043 nan 8.290 nan 0.000 0.507 89 L N 0.342 121.574 121.223 0.016 0.000 2.467 89 L HA 0.162 4.502 4.340 -0.000 0.000 0.270 89 L C 1.550 178.432 176.870 0.020 0.000 1.205 89 L CA 0.373 55.216 54.840 0.005 0.000 0.828 89 L CB -0.067 41.997 42.059 0.008 0.000 1.101 89 L HN 0.564 nan 8.230 nan 0.000 0.479 90 G N 0.714 109.522 108.800 0.013 0.000 2.205 90 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.269 90 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.269 90 G C 0.700 175.577 174.900 -0.038 0.000 0.977 90 G CA 0.185 45.285 45.100 0.000 0.000 0.652 90 G HN 0.492 nan 8.290 nan 0.000 0.539 91 R N -0.224 120.259 120.500 -0.027 0.000 2.571 91 R HA 0.753 5.093 4.340 -0.000 0.000 0.259 91 R C 0.820 177.035 176.300 -0.141 0.000 1.226 91 R CA -0.442 55.602 56.100 -0.094 0.000 1.157 91 R CB 0.339 30.651 30.300 0.021 0.000 1.220 91 R HN 0.551 nan 8.270 nan 0.000 0.605 92 R N 0.524 120.821 120.500 -0.339 0.000 3.090 92 R HA 0.222 4.561 4.340 -0.000 0.000 0.279 92 R C -1.495 174.579 176.300 -0.377 0.000 1.462 92 R CA -0.154 55.788 56.100 -0.263 0.000 1.044 92 R CB -0.017 30.157 30.300 -0.210 0.000 1.365 92 R HN 0.291 nan 8.270 nan 0.000 0.399 93 F N 1.551 121.255 119.950 -0.409 0.000 2.450 93 F HA 0.548 5.075 4.527 -0.000 0.000 0.361 93 F C 1.025 176.720 175.800 -0.175 0.000 1.092 93 F CA -0.674 57.129 58.000 -0.328 0.000 1.105 93 F CB 0.493 39.186 39.000 -0.512 0.000 1.458 93 F HN 0.582 nan 8.300 nan 0.000 0.496 94 N N -0.686 118.123 118.700 0.182 0.000 2.906 94 N HA 0.345 5.085 4.740 -0.000 0.000 0.327 94 N C 0.978 176.629 175.510 0.235 0.000 1.344 94 N CA -0.141 53.005 53.050 0.160 0.000 0.823 94 N CB -0.187 38.359 38.487 0.098 0.000 1.351 94 N HN 0.595 nan 8.380 nan 0.000 0.604 95 G N 0.592 109.481 108.800 0.149 0.000 2.808 95 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.225 95 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.225 95 G C 1.169 176.122 174.900 0.088 0.000 1.210 95 G CA 1.514 46.672 45.100 0.097 0.000 0.777 95 G HN 0.620 nan 8.290 nan 0.000 0.640 96 I N 1.681 122.292 120.570 0.069 0.000 3.444 96 I HA 0.153 4.322 4.170 -0.000 0.000 0.287 96 I C 1.906 178.103 176.117 0.133 0.000 1.302 96 I CA 0.634 61.964 61.300 0.049 0.000 1.368 96 I CB -0.501 37.511 38.000 0.020 0.000 1.048 96 I HN 0.474 nan 8.210 nan 0.000 0.487 97 G N 2.147 111.106 108.800 0.264 0.000 2.182 97 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.248 97 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.248 97 G C 0.049 175.210 174.900 0.435 0.000 1.042 97 G CA -0.174 45.159 45.100 0.388 0.000 0.775 97 G HN 0.370 nan 8.290 nan 0.000 0.501 98 K N 0.455 121.031 120.400 0.294 0.000 2.110 98 K HA 0.515 4.835 4.320 -0.000 0.000 0.263 98 K C -2.380 174.260 176.600 0.066 0.000 0.975 98 K CA -2.199 54.205 56.287 0.195 0.000 0.895 98 K CB 1.468 34.028 32.500 0.100 0.000 1.060 98 K HN -0.015 nan 8.250 nan 0.000 0.448 99 P HA 0.017 nan 4.420 nan 0.000 0.268 99 P C -0.265 176.890 177.300 -0.241 0.000 1.204 99 P CA 0.093 62.949 63.100 -0.406 0.000 0.768 99 P CB 0.465 31.956 31.700 -0.349 0.000 0.842 100 I N 1.563 121.968 120.570 -0.274 0.000 4.442 100 I HA 0.073 4.242 4.170 -0.000 0.000 0.331 100 I C 0.576 176.606 176.117 -0.145 0.000 1.364 100 I CA 0.226 61.436 61.300 -0.151 0.000 1.207 100 I CB -0.214 37.730 38.000 -0.094 0.000 1.298 100 I HN 0.263 nan 8.210 nan 0.000 0.463 101 D N 0.842 121.121 120.400 -0.201 0.000 2.325 101 D HA 0.182 4.822 4.640 -0.000 0.000 0.225 101 D C 1.601 177.830 176.300 -0.118 0.000 1.096 101 D CA 0.482 54.388 54.000 -0.156 0.000 0.844 101 D CB -0.029 40.655 40.800 -0.193 0.000 0.925 101 D HN 0.319 nan 8.370 nan 0.000 0.513 102 G N 0.188 108.921 108.800 -0.111 0.000 2.168 102 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.257 102 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.257 102 G C 0.109 174.958 174.900 -0.085 0.000 0.997 102 G CA 0.563 45.614 45.100 -0.082 0.000 0.708 102 G HN 0.405 nan 8.290 nan 0.000 0.520 103 L N -0.154 120.999 121.223 -0.117 0.000 2.544 103 L HA 0.521 4.860 4.340 -0.000 0.000 0.256 103 L C -1.522 175.286 176.870 -0.103 0.000 1.097 103 L CA -1.913 52.864 54.840 -0.105 0.000 0.812 103 L CB 0.537 42.524 42.059 -0.121 0.000 1.440 103 L HN -0.070 nan 8.230 nan 0.000 0.496 104 P HA 0.289 nan 4.420 nan 0.000 0.278 104 P C -2.552 174.705 177.300 -0.071 0.000 1.238 104 P CA -1.366 61.698 63.100 -0.061 0.000 0.794 104 P CB -0.255 31.423 31.700 -0.037 0.000 0.955 105 P HA 0.082 nan 4.420 nan 0.000 0.266 105 P C -0.299 177.003 177.300 0.003 0.000 1.195 105 P CA 0.145 63.231 63.100 -0.023 0.000 0.768 105 P CB 0.112 31.810 31.700 -0.003 0.000 0.838 106 I N -1.234 119.361 120.570 0.040 0.000 2.707 106 I HA 0.555 4.725 4.170 -0.000 0.000 0.309 106 I C -0.403 175.744 176.117 0.049 0.000 1.001 106 I CA -0.318 61.013 61.300 0.053 0.000 1.129 106 I CB 1.581 39.640 38.000 0.098 0.000 1.308 106 I HN 0.084 nan 8.210 nan 0.000 0.466 107 T N 4.936 119.513 114.554 0.038 0.000 2.743 107 T HA 0.537 4.887 4.350 -0.000 0.000 0.293 107 T C -2.423 172.290 174.700 0.022 0.000 0.945 107 T CA -0.905 61.212 62.100 0.028 0.000 1.030 107 T CB 0.534 69.418 68.868 0.027 0.000 0.912 107 T HN 0.595 nan 8.240 nan 0.000 0.483 108 P HA 0.468 nan 4.420 nan 0.000 0.298 108 P C 0.304 177.589 177.300 -0.024 0.000 1.314 108 P CA -0.652 62.431 63.100 -0.029 0.000 0.854 108 P CB 1.731 33.402 31.700 -0.048 0.000 1.019 109 E N 1.643 121.824 120.200 -0.031 0.000 2.299 109 E HA 0.011 4.360 4.350 -0.000 0.000 0.193 109 E C 0.069 176.657 176.600 -0.020 0.000 0.998 109 E CA 1.031 57.437 56.400 0.011 0.000 0.851 109 E CB 0.245 30.003 29.700 0.097 0.000 0.795 109 E HN 0.586 nan 8.360 nan 0.000 0.492 110 K N -0.260 120.077 120.400 -0.105 0.000 2.568 110 K HA 0.463 4.783 4.320 -0.000 0.000 0.273 110 K C -0.602 175.915 176.600 -0.138 0.000 0.951 110 K CA -0.689 55.537 56.287 -0.101 0.000 0.854 110 K CB 1.877 34.320 32.500 -0.095 0.000 1.424 110 K HN -0.222 nan 8.250 nan 0.000 0.427 111 R N 1.720 122.166 120.500 -0.090 0.000 2.229 111 R HA 0.438 4.778 4.340 -0.000 0.000 0.332 111 R C -0.717 175.533 176.300 -0.083 0.000 0.989 111 R CA -0.648 55.399 56.100 -0.087 0.000 0.842 111 R CB 0.597 30.866 30.300 -0.051 0.000 1.119 111 R HN 0.386 nan 8.270 nan 0.000 0.456 112 L N 4.456 125.615 121.223 -0.106 0.000 2.334 112 L HA 0.449 4.788 4.340 -0.000 0.000 0.276 112 L C -2.194 174.634 176.870 -0.070 0.000 1.014 112 L CA -2.592 52.198 54.840 -0.083 0.000 0.815 112 L CB 2.096 44.094 42.059 -0.100 0.000 1.268 112 L HN 0.258 nan 8.230 nan 0.000 0.428 113 P HA -0.039 nan 4.420 nan 0.000 0.261 113 P C 0.886 178.149 177.300 -0.061 0.000 1.203 113 P CA -0.045 63.027 63.100 -0.046 0.000 0.767 113 P CB 0.241 31.922 31.700 -0.031 0.000 0.785 114 I N 1.694 122.218 120.570 -0.076 0.000 2.916 114 I HA -0.116 4.054 4.170 -0.000 0.000 0.267 114 I C 0.888 176.950 176.117 -0.091 0.000 1.263 114 I CA 1.676 62.915 61.300 -0.103 0.000 1.471 114 I CB -1.352 36.571 38.000 -0.128 0.000 1.089 114 I HN 0.106 nan 8.210 nan 0.000 0.468 115 T N 1.573 116.087 114.554 -0.067 0.000 2.962 115 T HA 0.185 4.534 4.350 -0.000 0.000 0.270 115 T C 1.170 175.841 174.700 -0.048 0.000 1.088 115 T CA 1.209 63.275 62.100 -0.056 0.000 1.127 115 T CB -0.683 68.161 68.868 -0.040 0.000 0.883 115 T HN 0.874 nan 8.240 nan 0.000 0.493 116 G N 0.505 109.280 108.800 -0.042 0.000 2.692 116 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.248 116 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.248 116 G C -0.835 174.055 174.900 -0.017 0.000 1.340 116 G CA -0.389 44.696 45.100 -0.025 0.000 0.896 116 G HN 0.532 nan 8.290 nan 0.000 0.570 117 L N 0.553 121.771 121.223 -0.009 0.000 2.424 117 L HA 0.549 4.888 4.340 -0.000 0.000 0.258 117 L C -1.921 174.942 176.870 -0.011 0.000 0.995 117 L CA -1.847 52.987 54.840 -0.010 0.000 0.821 117 L CB 2.449 44.503 42.059 -0.008 0.000 1.383 117 L HN 0.678 nan 8.230 nan 0.000 0.410 118 P HA 0.245 nan 4.420 nan 0.000 0.275 118 P C -0.763 176.523 177.300 -0.024 0.000 1.227 118 P CA -0.340 62.751 63.100 -0.014 0.000 0.781 118 P CB 0.835 32.529 31.700 -0.011 0.000 0.906 119 L N 2.640 123.845 121.223 -0.031 0.000 2.456 119 L HA 0.094 4.434 4.340 -0.000 0.000 0.272 119 L C 1.309 178.151 176.870 -0.046 0.000 1.189 119 L CA -0.181 54.622 54.840 -0.061 0.000 0.846 119 L CB -0.058 41.952 42.059 -0.082 0.000 1.111 119 L HN 0.465 nan 8.230 nan 0.000 0.475 120 N N 4.089 122.757 118.700 -0.054 0.000 2.431 120 N HA 0.066 4.806 4.740 -0.000 0.000 0.265 120 N C -1.764 173.725 175.510 -0.035 0.000 1.184 120 N CA -1.378 51.649 53.050 -0.038 0.000 0.943 120 N CB 1.497 39.960 38.487 -0.039 0.000 1.080 120 N HN 0.275 nan 8.380 nan 0.000 0.477 121 P HA -0.164 nan 4.420 nan 0.000 0.217 121 P C 1.374 178.666 177.300 -0.014 0.000 1.151 121 P CA 0.753 63.847 63.100 -0.011 0.000 0.849 121 P CB 0.395 32.095 31.700 0.000 0.000 0.787 122 V N -0.884 119.021 119.914 -0.015 0.000 2.970 122 V HA -0.093 4.027 4.120 -0.000 0.000 0.260 122 V C 1.979 178.060 176.094 -0.023 0.000 1.100 122 V CA 1.847 64.138 62.300 -0.014 0.000 1.122 122 V CB -1.230 30.586 31.823 -0.012 0.000 0.721 122 V HN 0.102 nan 8.190 nan 0.000 0.483 123 A N -0.937 121.861 122.820 -0.038 0.000 2.308 123 A HA 0.247 4.567 4.320 -0.000 0.000 0.217 123 A C 1.478 179.021 177.584 -0.067 0.000 1.216 123 A CA -0.174 51.829 52.037 -0.057 0.000 0.864 123 A CB -0.006 18.946 19.000 -0.081 0.000 0.902 123 A HN 0.463 nan 8.150 nan 0.000 0.499 124 R N -0.566 119.907 120.500 -0.046 0.000 2.650 124 R HA 0.605 4.945 4.340 -0.000 0.000 0.232 124 R C 0.042 176.338 176.300 -0.007 0.000 1.247 124 R CA -0.451 55.630 56.100 -0.033 0.000 1.061 124 R CB 0.289 30.580 30.300 -0.014 0.000 1.279 124 R HN 0.185 nan 8.270 nan 0.000 0.549 125 R N 0.572 121.081 120.500 0.015 0.000 3.262 125 R HA 0.041 4.381 4.340 -0.000 0.000 0.270 125 R C -1.520 174.805 176.300 0.040 0.000 1.147 125 R CA -0.391 55.726 56.100 0.029 0.000 1.189 125 R CB 1.027 31.352 30.300 0.041 0.000 1.271 125 R HN 0.497 nan 8.270 nan 0.000 0.447 126 K N 4.418 124.838 120.400 0.034 0.000 2.473 126 K HA 0.014 4.334 4.320 -0.000 0.000 0.277 126 K C -2.250 174.379 176.600 0.047 0.000 1.052 126 K CA -0.781 55.528 56.287 0.035 0.000 1.114 126 K CB 0.288 32.804 32.500 0.027 0.000 0.869 126 K HN 0.254 nan 8.250 nan 0.000 0.481 127 P HA -0.058 nan 4.420 nan 0.000 0.267 127 P C -0.049 177.283 177.300 0.054 0.000 1.209 127 P CA 0.312 63.451 63.100 0.064 0.000 0.763 127 P CB 0.591 32.329 31.700 0.063 0.000 0.816 128 E N 1.394 121.631 120.200 0.062 0.000 2.441 128 E HA 0.057 4.407 4.350 -0.000 0.000 0.207 128 E C -0.069 176.569 176.600 0.064 0.000 0.803 128 E CA -0.271 56.160 56.400 0.051 0.000 1.240 128 E CB -0.080 29.647 29.700 0.045 0.000 1.233 128 E HN 0.282 nan 8.360 nan 0.000 0.590 129 Q N 1.462 121.310 119.800 0.080 0.000 2.299 129 Q HA 0.304 4.644 4.340 -0.000 0.000 0.246 129 Q C -0.270 175.831 176.000 0.167 0.000 0.935 129 Q CA -0.398 55.470 55.803 0.109 0.000 0.887 129 Q CB 1.120 29.892 28.738 0.057 0.000 1.223 129 Q HN 0.306 nan 8.270 nan 0.000 0.439 130 F N 0.508 120.442 119.950 -0.026 0.000 2.380 130 F HA 0.686 5.213 4.527 -0.000 0.000 0.321 130 F C -0.473 175.306 175.800 -0.035 0.000 1.103 130 F CA -1.015 56.974 58.000 -0.019 0.000 1.067 130 F CB 0.940 39.940 39.000 0.000 0.000 1.265 130 F HN 0.349 nan 8.300 nan 0.000 0.517 131 I N 2.326 122.549 120.570 -0.578 0.000 2.436 131 I HA 0.172 4.342 4.170 -0.000 0.000 0.289 131 I C -0.780 174.752 176.117 -0.975 0.000 1.010 131 I CA -0.775 60.101 61.300 -0.707 0.000 1.098 131 I CB 1.960 39.799 38.000 -0.268 0.000 1.266 131 I HN 0.706 nan 8.210 nan 0.000 0.434 132 Q N 3.917 123.100 119.800 -1.030 0.000 2.323 132 Q HA 0.128 4.468 4.340 -0.000 0.000 0.257 132 Q C 0.970 176.770 176.000 -0.333 0.000 1.022 132 Q CA -0.162 55.251 55.803 -0.651 0.000 0.919 132 Q CB 1.040 29.520 28.738 -0.430 0.000 1.220 132 Q HN 0.869 nan 8.270 nan 0.000 0.427 133 T N 0.176 114.607 114.554 -0.205 0.000 3.014 133 T HA 0.156 4.506 4.350 -0.000 0.000 0.263 133 T C 1.272 175.906 174.700 -0.110 0.000 1.078 133 T CA 0.727 62.749 62.100 -0.130 0.000 1.135 133 T CB 0.125 68.944 68.868 -0.081 0.000 0.895 133 T HN 0.860 nan 8.240 nan 0.000 0.480 134 G N 1.097 109.832 108.800 -0.108 0.000 2.194 134 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.236 134 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.236 134 G C -0.019 174.811 174.900 -0.117 0.000 0.987 134 G CA -0.047 44.994 45.100 -0.098 0.000 0.635 134 G HN 0.624 nan 8.290 nan 0.000 0.520 135 I N 1.738 122.232 120.570 -0.128 0.000 2.336 135 I HA 0.364 4.534 4.170 -0.000 0.000 0.292 135 I C 1.703 177.686 176.117 -0.224 0.000 0.991 135 I CA -0.254 60.937 61.300 -0.182 0.000 1.227 135 I CB 1.700 39.601 38.000 -0.166 0.000 1.366 135 I HN 0.026 nan 8.210 nan 0.000 0.466 136 S N 2.627 118.095 115.700 -0.387 0.000 2.359 136 S HA -0.192 4.278 4.470 -0.000 0.000 0.224 136 S C 2.112 176.462 174.600 -0.417 0.000 1.035 136 S CA 2.181 60.032 58.200 -0.582 0.000 1.018 136 S CB -0.204 62.222 63.200 -1.289 0.000 0.876 136 S HN 0.915 nan 8.310 nan 0.000 0.448 137 T N 0.825 115.156 114.554 -0.372 0.000 2.720 137 T HA -0.035 4.315 4.350 -0.000 0.000 0.268 137 T C 1.706 176.414 174.700 0.015 0.000 1.037 137 T CA 1.200 63.290 62.100 -0.018 0.000 1.144 137 T CB -0.619 68.228 68.868 -0.033 0.000 0.864 137 T HN 0.316 nan 8.240 nan 0.000 0.444 138 I N 1.663 122.204 120.570 -0.050 0.000 2.130 138 I HA -0.088 4.082 4.170 -0.000 0.000 0.232 138 I C 2.680 178.820 176.117 0.038 0.000 1.064 138 I CA 1.558 62.849 61.300 -0.015 0.000 1.338 138 I CB -0.440 37.537 38.000 -0.039 0.000 1.084 138 I HN 0.086 nan 8.210 nan 0.000 0.404 139 D N 0.625 121.042 120.400 0.028 0.000 2.154 139 D HA -0.185 4.455 4.640 -0.000 0.000 0.190 139 D C 2.232 178.648 176.300 0.194 0.000 1.003 139 D CA 1.484 55.559 54.000 0.125 0.000 0.849 139 D CB -0.407 40.444 40.800 0.085 0.000 0.942 139 D HN 0.115 nan 8.370 nan 0.000 0.446 140 V N 0.143 120.132 119.914 0.125 0.000 2.407 140 V HA -0.128 3.992 4.120 -0.000 0.000 0.245 140 V C 2.303 178.541 176.094 0.240 0.000 1.041 140 V CA 1.237 63.620 62.300 0.138 0.000 1.040 140 V CB -0.168 31.768 31.823 0.190 0.000 0.671 140 V HN 0.212 nan 8.190 nan 0.000 0.455 141 M N -0.724 118.999 119.600 0.205 0.000 2.556 141 M HA 0.137 4.617 4.480 -0.000 0.000 0.264 141 M C 0.628 176.961 176.300 0.055 0.000 1.163 141 M CA 1.091 56.472 55.300 0.135 0.000 1.186 141 M CB 0.070 32.765 32.600 0.159 0.000 1.321 141 M HN 0.292 nan 8.290 nan 0.000 0.485 142 N N 1.132 119.864 118.700 0.052 0.000 2.553 142 N HA 0.159 4.899 4.740 -0.000 0.000 0.298 142 N C -0.906 174.617 175.510 0.022 0.000 1.596 142 N CA -0.080 52.970 53.050 -0.001 0.000 0.910 142 N CB 0.974 39.438 38.487 -0.037 0.000 1.336 142 N HN 0.124 nan 8.380 nan 0.000 0.497 143 T N 1.509 116.109 114.554 0.075 0.000 2.867 143 T HA -0.110 4.240 4.350 -0.000 0.000 0.290 143 T C 0.468 175.210 174.700 0.071 0.000 1.025 143 T CA 0.112 62.289 62.100 0.128 0.000 1.146 143 T CB 0.750 69.740 68.868 0.203 0.000 1.024 143 T HN 0.136 nan 8.240 nan 0.000 0.519 144 L N 5.833 127.088 121.223 0.053 0.000 2.361 144 L HA 0.445 4.785 4.340 -0.000 0.000 0.278 144 L C 0.041 176.938 176.870 0.046 0.000 1.113 144 L CA -0.090 54.762 54.840 0.019 0.000 0.849 144 L CB 0.379 42.430 42.059 -0.013 0.000 1.155 144 L HN 0.589 nan 8.230 nan 0.000 0.452 145 V N 5.185 125.130 119.914 0.051 0.000 2.630 145 V HA 0.571 4.691 4.120 -0.000 0.000 0.305 145 V C 0.332 176.461 176.094 0.058 0.000 1.046 145 V CA -0.949 61.393 62.300 0.071 0.000 0.934 145 V CB 1.450 33.318 31.823 0.074 0.000 1.003 145 V HN 0.809 nan 8.190 nan 0.000 0.451 146 R N 3.358 123.897 120.500 0.066 0.000 2.458 146 R HA 0.413 4.753 4.340 -0.000 0.000 0.303 146 R C 1.264 177.626 176.300 0.104 0.000 1.013 146 R CA 1.116 57.268 56.100 0.086 0.000 1.026 146 R CB 0.299 30.646 30.300 0.078 0.000 0.948 146 R HN 1.485 nan 8.270 nan 0.000 0.417 147 G N 2.029 110.892 108.800 0.104 0.000 2.201 147 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.212 147 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.212 147 G C 0.094 175.039 174.900 0.074 0.000 0.994 147 G CA -0.119 45.045 45.100 0.107 0.000 0.644 147 G HN 0.575 nan 8.290 nan 0.000 0.508 148 Q N 1.035 120.866 119.800 0.052 0.000 2.260 148 Q HA 0.573 4.913 4.340 -0.000 0.000 0.238 148 Q C 0.017 176.022 176.000 0.009 0.000 0.948 148 Q CA -0.663 55.156 55.803 0.026 0.000 0.895 148 Q CB 0.487 29.234 28.738 0.014 0.000 1.218 148 Q HN 0.398 nan 8.270 nan 0.000 0.470 149 K N 3.122 123.512 120.400 -0.017 0.000 2.339 149 K HA 0.435 4.755 4.320 -0.000 0.000 0.264 149 K C -1.374 175.167 176.600 -0.097 0.000 0.986 149 K CA -0.813 55.438 56.287 -0.059 0.000 0.866 149 K CB 1.255 33.706 32.500 -0.082 0.000 1.103 149 K HN 0.385 nan 8.250 nan 0.000 0.441 150 L N 4.744 125.910 121.223 -0.096 0.000 2.427 150 L HA 0.423 4.763 4.340 -0.000 0.000 0.264 150 L C -2.913 173.883 176.870 -0.122 0.000 0.989 150 L CA -1.651 53.120 54.840 -0.116 0.000 0.865 150 L CB 1.731 43.741 42.059 -0.082 0.000 1.209 150 L HN 0.497 nan 8.230 nan 0.000 0.430 151 P HA 0.394 nan 4.420 nan 0.000 0.285 151 P C -0.589 176.661 177.300 -0.083 0.000 1.269 151 P CA -0.399 62.657 63.100 -0.073 0.000 0.844 151 P CB 1.605 33.325 31.700 0.034 0.000 1.094 152 I N 1.761 122.358 120.570 0.045 0.000 2.325 152 I HA 0.179 4.349 4.170 -0.000 0.000 0.291 152 I C 0.029 176.342 176.117 0.327 0.000 1.019 152 I CA -0.348 61.005 61.300 0.088 0.000 1.302 152 I CB -0.041 38.006 38.000 0.079 0.000 1.401 152 I HN 0.092 nan 8.210 nan 0.000 0.485 153 F N 5.750 125.695 119.950 -0.009 0.000 2.350 153 F HA 0.363 4.890 4.527 -0.000 0.000 0.365 153 F C 0.722 176.522 175.800 -0.000 0.000 1.122 153 F CA -0.535 57.463 58.000 -0.004 0.000 1.139 153 F CB 0.864 39.862 39.000 -0.003 0.000 1.220 153 F HN 0.423 nan 8.300 nan 0.000 0.499 154 S N 2.417 118.208 115.700 0.152 0.000 2.694 154 S HA 0.964 5.434 4.470 -0.000 0.000 0.286 154 S C -0.221 174.395 174.600 0.027 0.000 1.080 154 S CA -0.125 58.121 58.200 0.076 0.000 0.953 154 S CB 1.756 64.994 63.200 0.064 0.000 1.313 154 S HN 0.742 nan 8.310 nan 0.000 0.555 155 G N 0.208 109.008 108.800 -0.000 0.000 2.733 155 G HA2 0.514 4.474 3.960 -0.000 0.000 0.297 155 G HA3 0.514 4.474 3.960 -0.000 0.000 0.297 155 G C -1.139 173.748 174.900 -0.023 0.000 1.422 155 G CA -0.517 44.572 45.100 -0.018 0.000 0.942 155 G HN 0.666 nan 8.290 nan 0.000 0.510 156 S N -0.055 115.634 115.700 -0.019 0.000 2.575 156 S HA 0.399 4.869 4.470 -0.000 0.000 0.295 156 S C 1.455 176.044 174.600 -0.018 0.000 1.267 156 S CA 1.817 60.009 58.200 -0.013 0.000 1.074 156 S CB 0.404 63.598 63.200 -0.009 0.000 0.829 156 S HN 2.144 nan 8.310 nan 0.000 0.497 157 G N 3.344 112.132 108.800 -0.020 0.000 3.642 157 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.205 157 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.205 157 G C -0.251 174.605 174.900 -0.074 0.000 1.526 157 G CA -0.398 44.687 45.100 -0.025 0.000 1.097 157 G HN 0.606 nan 8.290 nan 0.000 0.596 158 L N 3.589 124.729 121.223 -0.138 0.000 2.536 158 L HA 0.296 4.636 4.340 -0.000 0.000 0.294 158 L C -1.276 175.534 176.870 -0.100 0.000 1.257 158 L CA -0.284 54.418 54.840 -0.230 0.000 0.850 158 L CB -0.260 41.695 42.059 -0.173 0.000 1.105 158 L HN 0.322 nan 8.230 nan 0.000 0.517 159 P HA 0.217 nan 4.420 nan 0.000 0.209 159 P C 0.032 177.400 177.300 0.113 0.000 1.843 159 P CA -0.199 62.923 63.100 0.037 0.000 0.985 159 P CB 0.470 32.244 31.700 0.123 0.000 1.904 160 A N 2.255 125.134 122.820 0.098 0.000 1.872 160 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 160 A C 2.049 179.782 177.584 0.249 0.000 1.187 160 A CA 1.179 53.309 52.037 0.154 0.000 0.614 160 A CB -1.006 18.076 19.000 0.136 0.000 0.826 160 A HN 0.208 nan 8.150 nan 0.000 0.442 161 N N 0.463 119.318 118.700 0.259 0.000 2.073 161 N HA -0.246 4.494 4.740 -0.000 0.000 0.199 161 N C 1.529 177.290 175.510 0.419 0.000 1.023 161 N CA 2.105 55.401 53.050 0.410 0.000 0.880 161 N CB -0.659 37.809 38.487 -0.031 0.000 1.052 161 N HN 0.654 nan 8.380 nan 0.000 0.449 162 E N 0.682 121.007 120.200 0.207 0.000 2.070 162 E HA -0.100 4.250 4.350 -0.000 0.000 0.197 162 E C 2.187 179.015 176.600 0.380 0.000 1.004 162 E CA 0.975 57.557 56.400 0.304 0.000 0.805 162 E CB -0.227 29.579 29.700 0.176 0.000 0.744 162 E HN 0.414 nan 8.360 nan 0.000 0.451 163 I N 0.781 121.556 120.570 0.342 0.000 2.142 163 I HA -0.307 3.863 4.170 -0.000 0.000 0.240 163 I C 2.485 178.742 176.117 0.234 0.000 1.078 163 I CA 1.117 62.553 61.300 0.226 0.000 1.343 163 I CB -0.808 37.267 38.000 0.124 0.000 1.046 163 I HN 0.120 nan 8.210 nan 0.000 0.405 164 A N 1.418 124.426 122.820 0.313 0.000 1.859 164 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 164 A C 2.616 180.432 177.584 0.388 0.000 1.209 164 A CA 2.691 54.955 52.037 0.378 0.000 0.639 164 A CB -1.181 18.128 19.000 0.514 0.000 0.835 164 A HN 0.475 nan 8.150 nan 0.000 0.450 165 A N -1.352 121.773 122.820 0.509 0.000 1.948 165 A HA -0.287 4.032 4.320 -0.000 0.000 0.220 165 A C 2.212 179.829 177.584 0.056 0.000 1.177 165 A CA 2.133 54.333 52.037 0.271 0.000 0.636 165 A CB -0.585 18.604 19.000 0.316 0.000 0.815 165 A HN 0.727 nan 8.150 nan 0.000 0.449 166 Q N -0.734 119.145 119.800 0.133 0.000 2.062 166 Q HA -0.051 4.289 4.340 -0.000 0.000 0.196 166 Q C 2.016 178.032 176.000 0.028 0.000 0.967 166 Q CA 1.300 57.146 55.803 0.071 0.000 0.832 166 Q CB -0.175 28.640 28.738 0.129 0.000 0.899 166 Q HN 0.714 nan 8.270 nan 0.000 0.442 167 I N 0.852 121.457 120.570 0.059 0.000 2.264 167 I HA -0.284 3.885 4.170 -0.000 0.000 0.248 167 I C 2.400 178.549 176.117 0.053 0.000 1.111 167 I CA 0.983 62.309 61.300 0.043 0.000 1.382 167 I CB -0.381 37.658 38.000 0.066 0.000 1.060 167 I HN 0.234 nan 8.210 nan 0.000 0.418 168 A N 1.066 123.921 122.820 0.058 0.000 1.902 168 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 168 A C 2.426 179.968 177.584 -0.069 0.000 1.181 168 A CA 1.574 53.627 52.037 0.028 0.000 0.623 168 A CB -0.512 18.436 19.000 -0.086 0.000 0.818 168 A HN 0.347 nan 8.150 nan 0.000 0.443 169 R N -0.872 119.540 120.500 -0.146 0.000 2.073 169 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 169 R C 2.394 178.653 176.300 -0.069 0.000 1.120 169 R CA 1.553 57.570 56.100 -0.138 0.000 0.967 169 R CB -0.279 29.929 30.300 -0.152 0.000 0.862 169 R HN 0.672 nan 8.270 nan 0.000 0.436 170 Q N 0.488 120.253 119.800 -0.057 0.000 2.165 170 Q HA 0.157 4.497 4.340 -0.000 0.000 0.197 170 Q C 0.580 176.514 176.000 -0.109 0.000 0.952 170 Q CA 0.263 56.023 55.803 -0.071 0.000 0.848 170 Q CB 0.143 28.843 28.738 -0.065 0.000 0.931 170 Q HN 0.224 nan 8.270 nan 0.000 0.470 171 A N 1.210 123.973 122.820 -0.095 0.000 2.613 171 A HA 0.161 4.481 4.320 -0.000 0.000 0.230 171 A C 0.281 177.587 177.584 -0.463 0.000 1.051 171 A CA 1.096 53.010 52.037 -0.205 0.000 0.754 171 A CB 0.186 19.167 19.000 -0.031 0.000 0.979 171 A HN 0.191 nan 8.150 nan 0.000 0.510 172 T N -0.127 114.026 114.554 -0.668 0.000 2.831 172 T HA 0.447 4.797 4.350 -0.000 0.000 0.333 172 T C -0.759 173.533 174.700 -0.680 0.000 1.684 172 T CA 0.038 61.661 62.100 -0.794 0.000 1.049 172 T CB 0.541 69.166 68.868 -0.405 0.000 1.518 172 T HN 1.781 nan 8.240 nan 0.000 0.491 173 V N 2.226 121.806 119.914 -0.557 0.000 2.644 173 V HA 0.811 4.931 4.120 -0.000 0.000 0.295 173 V C 0.191 176.178 176.094 -0.178 0.000 1.053 173 V CA -0.806 61.294 62.300 -0.334 0.000 0.987 173 V CB 1.338 33.033 31.823 -0.212 0.000 1.006 173 V HN 0.739 nan 8.190 nan 0.000 0.472 174 R N 3.464 123.925 120.500 -0.064 0.000 2.860 174 R HA 0.376 4.715 4.340 -0.000 0.000 0.282 174 R C -2.188 174.148 176.300 0.060 0.000 1.408 174 R CA -2.431 53.703 56.100 0.055 0.000 1.636 174 R CB 0.632 31.086 30.300 0.257 0.000 1.187 174 R HN 0.615 nan 8.270 nan 0.000 0.611 175 P HA -0.137 nan 4.420 nan 0.000 0.217 175 P C 0.695 178.013 177.300 0.030 0.000 1.150 175 P CA 1.091 64.205 63.100 0.025 0.000 0.832 175 P CB 0.273 31.983 31.700 0.017 0.000 0.787 176 D N -0.404 120.013 120.400 0.028 0.000 2.351 176 D HA -0.126 4.514 4.640 -0.000 0.000 0.216 176 D C 1.602 177.920 176.300 0.030 0.000 0.968 176 D CA 0.903 54.919 54.000 0.026 0.000 0.899 176 D CB -0.944 39.868 40.800 0.021 0.000 0.907 176 D HN 0.262 nan 8.370 nan 0.000 0.514 177 L N 0.270 121.517 121.223 0.042 0.000 2.554 177 L HA 0.103 4.442 4.340 -0.000 0.000 0.225 177 L C 1.472 178.359 176.870 0.029 0.000 1.104 177 L CA 0.561 55.422 54.840 0.035 0.000 0.866 177 L CB 0.112 42.195 42.059 0.040 0.000 1.047 177 L HN 0.019 nan 8.230 nan 0.000 0.468 178 S N -1.918 113.804 115.700 0.037 0.000 2.629 178 S HA 0.337 4.807 4.470 -0.000 0.000 0.236 178 S C 1.469 176.087 174.600 0.030 0.000 1.010 178 S CA 0.251 58.471 58.200 0.034 0.000 0.981 178 S CB 1.020 64.246 63.200 0.043 0.000 0.919 178 S HN 0.403 nan 8.310 nan 0.000 0.514 179 G N 2.000 110.817 108.800 0.027 0.000 2.353 179 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.258 179 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.258 179 G C -0.069 174.846 174.900 0.025 0.000 1.013 179 G CA 0.456 45.570 45.100 0.024 0.000 0.622 179 G HN 0.645 nan 8.290 nan 0.000 0.535 180 E N 1.343 121.560 120.200 0.029 0.000 2.653 180 E HA 0.315 4.665 4.350 -0.000 0.000 0.264 180 E C 1.261 177.878 176.600 0.028 0.000 0.949 180 E CA 0.165 56.585 56.400 0.033 0.000 0.953 180 E CB 0.180 29.905 29.700 0.042 0.000 0.925 180 E HN 0.596 nan 8.360 nan 0.000 0.475 181 G N 2.397 111.213 108.800 0.026 0.000 2.353 181 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.239 181 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.239 181 G C 0.564 175.478 174.900 0.023 0.000 1.295 181 G CA -0.342 44.770 45.100 0.020 0.000 0.884 181 G HN 0.611 nan 8.290 nan 0.000 0.537 182 E N 1.560 121.770 120.200 0.017 0.000 2.481 182 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 182 E C 2.162 178.767 176.600 0.008 0.000 1.047 182 E CA 0.372 56.783 56.400 0.018 0.000 0.867 182 E CB 0.164 29.873 29.700 0.014 0.000 0.858 182 E HN 0.809 nan 8.360 nan 0.000 0.513 183 K N 0.343 120.742 120.400 -0.002 0.000 1.984 183 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 183 K C 1.024 177.597 176.600 -0.046 0.000 1.046 183 K CA 1.209 57.483 56.287 -0.022 0.000 0.934 183 K CB -0.461 32.027 32.500 -0.019 0.000 0.717 183 K HN -0.094 nan 8.250 nan 0.000 0.438 184 E N 1.618 121.800 120.200 -0.030 0.000 2.322 184 E HA 0.019 4.368 4.350 -0.000 0.000 0.195 184 E C -0.245 176.335 176.600 -0.034 0.000 1.198 184 E CA 0.265 56.634 56.400 -0.050 0.000 1.132 184 E CB 0.112 29.798 29.700 -0.023 0.000 1.213 184 E HN 0.352 nan 8.360 nan 0.000 0.450 185 E N 0.841 121.029 120.200 -0.020 0.000 3.191 185 E HA 0.100 4.450 4.350 -0.000 0.000 0.192 185 E C -2.387 174.253 176.600 0.067 0.000 0.972 185 E CA -1.208 55.255 56.400 0.106 0.000 1.266 185 E CB 0.631 30.415 29.700 0.140 0.000 1.076 185 E HN 0.237 nan 8.360 nan 0.000 0.462 186 P HA 0.005 nan 4.420 nan 0.000 0.268 186 P C -0.637 176.713 177.300 0.083 0.000 1.205 186 P CA 0.122 63.109 63.100 -0.187 0.000 0.771 186 P CB 0.380 31.620 31.700 -0.766 0.000 0.858 187 F N 2.430 122.452 119.950 0.120 0.000 2.426 187 F HA 0.604 5.131 4.527 -0.000 0.000 0.348 187 F C -0.729 175.221 175.800 0.250 0.000 1.124 187 F CA -0.413 57.707 58.000 0.199 0.000 1.008 187 F CB 1.289 40.354 39.000 0.109 0.000 1.139 187 F HN 0.436 nan 8.300 nan 0.000 0.452 188 A N 4.979 127.584 122.820 -0.358 0.000 2.401 188 A HA 0.791 5.111 4.320 -0.000 0.000 0.310 188 A C -1.816 175.523 177.584 -0.408 0.000 1.075 188 A CA -0.727 51.172 52.037 -0.230 0.000 0.746 188 A CB 1.686 20.578 19.000 -0.179 0.000 1.277 188 A HN 0.527 nan 8.150 nan 0.000 0.425 189 V N 2.161 122.001 119.914 -0.124 0.000 2.357 189 V HA 0.347 4.466 4.120 -0.000 0.000 0.284 189 V C -0.411 175.708 176.094 0.041 0.000 1.018 189 V CA -0.444 61.853 62.300 -0.004 0.000 0.841 189 V CB 1.418 33.377 31.823 0.227 0.000 0.991 189 V HN 0.615 nan 8.190 nan 0.000 0.437 190 V N 6.367 126.292 119.914 0.018 0.000 2.334 190 V HA 0.337 4.457 4.120 -0.000 0.000 0.267 190 V C -0.322 175.844 176.094 0.119 0.000 1.040 190 V CA -0.338 61.998 62.300 0.060 0.000 0.866 190 V CB 0.834 32.662 31.823 0.007 0.000 1.019 190 V HN 0.681 nan 8.190 nan 0.000 0.468 191 F N 4.565 124.500 119.950 -0.024 0.000 2.411 191 F HA 0.711 5.238 4.527 -0.000 0.000 0.350 191 F C 0.380 176.168 175.800 -0.020 0.000 1.114 191 F CA -0.475 57.490 58.000 -0.059 0.000 1.135 191 F CB 1.110 39.989 39.000 -0.202 0.000 1.120 191 F HN 0.488 nan 8.300 nan 0.000 0.495 192 A N 5.156 127.698 122.820 -0.464 0.000 2.375 192 A HA 0.803 5.123 4.320 -0.000 0.000 0.291 192 A C -1.315 176.017 177.584 -0.420 0.000 1.160 192 A CA -0.379 51.510 52.037 -0.247 0.000 0.747 192 A CB 0.516 19.419 19.000 -0.162 0.000 1.170 192 A HN 1.057 nan 8.150 nan 0.000 0.458 193 A N 3.177 125.866 122.820 -0.219 0.000 2.303 193 A HA 0.772 5.092 4.320 -0.000 0.000 0.320 193 A C -0.420 177.164 177.584 0.001 0.000 1.192 193 A CA -0.322 51.627 52.037 -0.147 0.000 0.821 193 A CB 0.386 19.404 19.000 0.031 0.000 1.188 193 A HN 0.804 nan 8.150 nan 0.000 0.492 194 M N 2.299 121.908 119.600 0.014 0.000 2.114 194 M HA 0.493 4.973 4.480 -0.000 0.000 0.332 194 M C 0.922 177.270 176.300 0.080 0.000 1.014 194 M CA 0.512 55.849 55.300 0.061 0.000 0.956 194 M CB 1.748 34.401 32.600 0.088 0.000 1.551 194 M HN 1.352 nan 8.290 nan 0.000 0.427 195 G N 3.424 112.271 108.800 0.079 0.000 2.246 195 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.273 195 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.273 195 G C -0.127 174.830 174.900 0.095 0.000 1.055 195 G CA 0.307 45.453 45.100 0.076 0.000 0.851 195 G HN 0.850 nan 8.290 nan 0.000 0.500 196 I N -1.523 119.122 120.570 0.124 0.000 2.764 196 I HA 0.758 4.928 4.170 -0.000 0.000 0.294 196 I C 0.861 177.053 176.117 0.125 0.000 1.045 196 I CA -0.350 61.045 61.300 0.159 0.000 1.340 196 I CB 1.104 39.260 38.000 0.258 0.000 1.436 196 I HN 0.238 nan 8.210 nan 0.000 0.567 197 T N 0.435 115.058 114.554 0.114 0.000 2.922 197 T HA 0.183 4.533 4.350 -0.000 0.000 0.285 197 T C 0.679 175.434 174.700 0.092 0.000 1.005 197 T CA -0.485 61.664 62.100 0.083 0.000 1.061 197 T CB 1.797 70.699 68.868 0.057 0.000 1.007 197 T HN 0.774 nan 8.240 nan 0.000 0.502 198 Q N 0.917 120.760 119.800 0.072 0.000 2.133 198 Q HA -0.224 4.116 4.340 -0.000 0.000 0.208 198 Q C 2.319 178.360 176.000 0.068 0.000 0.991 198 Q CA 1.962 57.807 55.803 0.069 0.000 0.867 198 Q CB -0.394 28.373 28.738 0.049 0.000 0.911 198 Q HN 0.761 nan 8.270 nan 0.000 0.417 199 R N -0.167 120.363 120.500 0.051 0.000 2.105 199 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 199 R C 1.756 178.081 176.300 0.042 0.000 1.135 199 R CA 1.849 57.971 56.100 0.035 0.000 0.967 199 R CB -0.050 30.256 30.300 0.011 0.000 0.861 199 R HN 0.466 nan 8.270 nan 0.000 0.442 200 E N 0.238 120.472 120.200 0.056 0.000 2.122 200 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 200 E C 1.968 178.673 176.600 0.174 0.000 0.977 200 E CA 0.757 57.187 56.400 0.050 0.000 0.820 200 E CB -0.104 29.658 29.700 0.103 0.000 0.770 200 E HN 0.207 nan 8.360 nan 0.000 0.462 201 L N 0.809 122.168 121.223 0.227 0.000 1.989 201 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 201 L C 2.366 179.351 176.870 0.191 0.000 1.071 201 L CA 1.811 56.811 54.840 0.267 0.000 0.749 201 L CB -0.678 41.492 42.059 0.185 0.000 0.890 201 L HN -0.019 nan 8.230 nan 0.000 0.431 202 S N -1.662 114.113 115.700 0.124 0.000 2.381 202 S HA -0.348 4.122 4.470 -0.000 0.000 0.230 202 S C 1.905 176.554 174.600 0.083 0.000 1.052 202 S CA 2.009 60.260 58.200 0.085 0.000 1.068 202 S CB -0.729 62.511 63.200 0.067 0.000 0.918 202 S HN 0.699 nan 8.310 nan 0.000 0.448 203 Y N 0.655 120.917 120.300 -0.063 0.000 2.070 203 Y HA -0.126 4.423 4.550 -0.000 0.000 0.279 203 Y C 1.892 177.722 175.900 -0.116 0.000 1.134 203 Y CA 2.023 60.030 58.100 -0.156 0.000 1.113 203 Y CB -0.898 37.376 38.460 -0.311 0.000 0.981 203 Y HN 0.335 nan 8.280 nan 0.000 0.487 204 F N 0.019 120.044 119.950 0.126 0.000 2.120 204 F HA -0.298 4.229 4.527 -0.000 0.000 0.300 204 F C 2.399 178.214 175.800 0.024 0.000 1.095 204 F CA 1.523 59.531 58.000 0.013 0.000 1.249 204 F CB -0.478 38.571 39.000 0.082 0.000 0.995 204 F HN 0.108 nan 8.300 nan 0.000 0.480 205 I N -0.205 120.469 120.570 0.172 0.000 2.113 205 I HA -0.345 3.825 4.170 -0.000 0.000 0.238 205 I C 2.699 178.841 176.117 0.041 0.000 1.070 205 I CA 1.533 62.887 61.300 0.089 0.000 1.332 205 I CB -0.603 37.426 38.000 0.048 0.000 1.044 205 I HN 0.227 nan 8.210 nan 0.000 0.402 206 Q N 0.916 120.697 119.800 -0.032 0.000 2.096 206 Q HA -0.292 4.048 4.340 -0.000 0.000 0.208 206 Q C 2.008 177.926 176.000 -0.137 0.000 0.993 206 Q CA 1.914 57.665 55.803 -0.086 0.000 0.862 206 Q CB -0.113 28.555 28.738 -0.116 0.000 0.915 206 Q HN 0.470 nan 8.270 nan 0.000 0.416 207 E N -0.480 119.566 120.200 -0.257 0.000 2.150 207 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 207 E C 1.781 178.233 176.600 -0.247 0.000 0.985 207 E CA 0.811 57.011 56.400 -0.333 0.000 0.814 207 E CB -0.197 29.164 29.700 -0.565 0.000 0.752 207 E HN 0.421 nan 8.360 nan 0.000 0.466 208 F N 1.212 121.066 119.950 -0.160 0.000 2.456 208 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 208 F C 2.283 178.033 175.800 -0.083 0.000 1.104 208 F CA 0.721 58.650 58.000 -0.118 0.000 1.435 208 F CB 0.291 39.212 39.000 -0.133 0.000 1.078 208 F HN -0.027 nan 8.300 nan 0.000 0.546 209 E N -0.473 119.766 120.200 0.064 0.000 2.127 209 E HA -0.063 4.286 4.350 -0.000 0.000 0.191 209 E C 2.194 178.785 176.600 -0.015 0.000 0.964 209 E CA -0.019 56.396 56.400 0.025 0.000 0.832 209 E CB -0.185 29.522 29.700 0.011 0.000 0.790 209 E HN 0.270 nan 8.360 nan 0.000 0.465 210 R N 0.842 121.313 120.500 -0.047 0.000 2.119 210 R HA -0.131 4.208 4.340 -0.000 0.000 0.246 210 R C 0.830 177.101 176.300 -0.048 0.000 1.146 210 R CA 1.922 57.987 56.100 -0.057 0.000 0.962 210 R CB 0.007 30.254 30.300 -0.088 0.000 0.863 210 R HN 0.078 nan 8.270 nan 0.000 0.442 211 T N -2.251 112.269 114.554 -0.056 0.000 3.339 211 T HA 0.301 4.650 4.350 -0.000 0.000 0.292 211 T C 0.565 175.250 174.700 -0.026 0.000 1.012 211 T CA 0.169 62.243 62.100 -0.043 0.000 0.937 211 T CB 1.330 70.165 68.868 -0.056 0.000 1.164 211 T HN 0.444 nan 8.240 nan 0.000 0.509 212 G N 1.648 110.442 108.800 -0.009 0.000 2.168 212 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.263 212 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.263 212 G C 1.221 176.146 174.900 0.042 0.000 0.977 212 G CA 0.139 45.250 45.100 0.018 0.000 0.659 212 G HN 0.836 nan 8.290 nan 0.000 0.533 213 A N -0.544 122.287 122.820 0.018 0.000 2.032 213 A HA 0.128 4.448 4.320 -0.000 0.000 0.221 213 A C 2.344 180.058 177.584 0.217 0.000 1.165 213 A CA 2.201 54.264 52.037 0.043 0.000 0.645 213 A CB -0.195 18.703 19.000 -0.170 0.000 0.807 213 A HN 1.336 nan 8.150 nan 0.000 0.453 214 L N 0.878 122.241 121.223 0.234 0.000 2.083 214 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 214 L C 2.692 179.636 176.870 0.124 0.000 1.083 214 L CA 2.692 57.670 54.840 0.230 0.000 0.752 214 L CB -0.874 41.265 42.059 0.132 0.000 0.899 214 L HN 0.529 nan 8.230 nan 0.000 0.433 215 S N 0.388 116.147 115.700 0.098 0.000 2.465 215 S HA -0.218 4.252 4.470 -0.000 0.000 0.241 215 S C 1.626 176.278 174.600 0.088 0.000 1.000 215 S CA 1.037 59.282 58.200 0.074 0.000 0.964 215 S CB -0.600 62.639 63.200 0.065 0.000 0.763 215 S HN 0.754 nan 8.310 nan 0.000 0.512 216 R N 0.467 121.037 120.500 0.118 0.000 2.700 216 R HA 0.487 4.826 4.340 -0.000 0.000 0.377 216 R C -0.677 175.684 176.300 0.102 0.000 1.130 216 R CA -0.414 55.760 56.100 0.123 0.000 1.055 216 R CB 0.351 30.754 30.300 0.172 0.000 1.387 216 R HN 0.239 nan 8.270 nan 0.000 0.580 217 S N -0.018 115.730 115.700 0.080 0.000 2.634 217 S HA 0.618 5.088 4.470 -0.000 0.000 0.296 217 S C -0.763 173.817 174.600 -0.033 0.000 1.104 217 S CA -0.766 57.461 58.200 0.045 0.000 0.920 217 S CB 2.549 65.797 63.200 0.081 0.000 1.111 217 S HN 0.041 nan 8.310 nan 0.000 0.493 218 V N 2.178 122.062 119.914 -0.050 0.000 2.482 218 V HA 0.423 4.543 4.120 -0.000 0.000 0.295 218 V C -0.904 175.126 176.094 -0.107 0.000 1.026 218 V CA -0.608 61.649 62.300 -0.071 0.000 0.856 218 V CB 1.124 32.924 31.823 -0.038 0.000 1.001 218 V HN 0.697 nan 8.190 nan 0.000 0.424 219 L N 4.672 125.774 121.223 -0.202 0.000 2.289 219 L HA 0.586 4.926 4.340 -0.000 0.000 0.285 219 L C -0.971 175.745 176.870 -0.256 0.000 1.049 219 L CA -0.192 54.549 54.840 -0.165 0.000 0.804 219 L CB 1.185 43.095 42.059 -0.248 0.000 1.195 219 L HN 0.505 nan 8.230 nan 0.000 0.428 220 F N 4.009 123.982 119.950 0.039 0.000 2.307 220 F HA 0.408 4.935 4.527 -0.000 0.000 0.369 220 F C 0.041 175.865 175.800 0.038 0.000 1.076 220 F CA -0.348 57.671 58.000 0.031 0.000 1.149 220 F CB 0.865 39.836 39.000 -0.050 0.000 1.410 220 F HN 0.260 nan 8.300 nan 0.000 0.481 221 L N 3.790 125.105 121.223 0.154 0.000 2.290 221 L HA 0.366 4.705 4.340 -0.000 0.000 0.284 221 L C 0.036 176.985 176.870 0.132 0.000 1.078 221 L CA -0.301 54.627 54.840 0.147 0.000 0.815 221 L CB 0.810 42.945 42.059 0.127 0.000 1.162 221 L HN 0.536 nan 8.230 nan 0.000 0.435 222 N N 3.241 122.013 118.700 0.121 0.000 2.295 222 N HA 0.328 5.068 4.740 -0.000 0.000 0.293 222 N C -1.217 174.350 175.510 0.095 0.000 1.040 222 N CA -0.655 52.453 53.050 0.097 0.000 0.840 222 N CB 2.116 40.651 38.487 0.079 0.000 1.468 222 N HN 0.514 nan 8.380 nan 0.000 0.478 223 K N 1.275 121.724 120.400 0.081 0.000 2.090 223 K HA 0.490 4.810 4.320 -0.000 0.000 0.249 223 K C 0.989 177.627 176.600 0.063 0.000 0.995 223 K CA -0.449 55.885 56.287 0.079 0.000 0.914 223 K CB 1.119 33.661 32.500 0.069 0.000 1.057 223 K HN 0.613 nan 8.250 nan 0.000 0.462 224 A N 1.427 124.284 122.820 0.062 0.000 1.972 224 A HA -0.163 4.156 4.320 -0.000 0.000 0.219 224 A C 1.295 178.902 177.584 0.038 0.000 1.169 224 A CA 1.948 54.014 52.037 0.049 0.000 0.635 224 A CB -0.450 18.579 19.000 0.048 0.000 0.810 224 A HN 0.899 nan 8.150 nan 0.000 0.446 225 D N -0.319 120.104 120.400 0.039 0.000 2.340 225 D HA -0.010 4.629 4.640 -0.000 0.000 0.220 225 D C -0.628 175.690 176.300 0.031 0.000 1.039 225 D CA -0.099 53.920 54.000 0.032 0.000 0.866 225 D CB -0.352 40.467 40.800 0.031 0.000 0.913 225 D HN 0.230 nan 8.370 nan 0.000 0.523 226 D N 2.397 122.817 120.400 0.033 0.000 2.360 226 D HA 0.169 4.809 4.640 -0.000 0.000 0.242 226 D C -1.965 174.348 176.300 0.023 0.000 1.184 226 D CA -1.298 52.720 54.000 0.030 0.000 0.930 226 D CB 0.487 41.306 40.800 0.032 0.000 1.161 226 D HN 0.094 nan 8.370 nan 0.000 0.447 227 P HA -0.030 nan 4.420 nan 0.000 0.267 227 P C 0.897 178.194 177.300 -0.005 0.000 1.205 227 P CA 0.046 63.159 63.100 0.022 0.000 0.765 227 P CB 0.411 32.135 31.700 0.041 0.000 0.828 228 T N 1.315 115.867 114.554 -0.004 0.000 2.720 228 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 228 T C 1.803 176.467 174.700 -0.059 0.000 1.037 228 T CA 1.088 63.173 62.100 -0.025 0.000 1.144 228 T CB -1.103 67.753 68.868 -0.021 0.000 0.864 228 T HN 0.340 nan 8.240 nan 0.000 0.444 229 I N 1.596 122.122 120.570 -0.074 0.000 2.315 229 I HA -0.225 3.944 4.170 -0.000 0.000 0.251 229 I C 2.540 178.543 176.117 -0.191 0.000 1.125 229 I CA 1.698 62.911 61.300 -0.146 0.000 1.392 229 I CB -0.260 37.619 38.000 -0.203 0.000 1.065 229 I HN 0.352 nan 8.210 nan 0.000 0.424 230 E N 0.067 120.166 120.200 -0.168 0.000 2.160 230 E HA -0.299 4.051 4.350 -0.000 0.000 0.195 230 E C 2.242 178.809 176.600 -0.055 0.000 0.991 230 E CA 1.003 57.331 56.400 -0.119 0.000 0.810 230 E CB -0.158 29.504 29.700 -0.064 0.000 0.742 230 E HN 0.497 nan 8.360 nan 0.000 0.466 231 R N 0.535 121.013 120.500 -0.037 0.000 2.075 231 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 231 R C 2.303 178.636 176.300 0.055 0.000 1.126 231 R CA 0.926 57.032 56.100 0.010 0.000 0.963 231 R CB -0.077 30.217 30.300 -0.010 0.000 0.858 231 R HN 0.156 nan 8.270 nan 0.000 0.435 232 I N 0.641 121.195 120.570 -0.026 0.000 2.286 232 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 232 I C 1.959 178.130 176.117 0.090 0.000 1.115 232 I CA 1.172 62.499 61.300 0.045 0.000 1.392 232 I CB -0.121 37.840 38.000 -0.066 0.000 1.065 232 I HN 0.237 nan 8.210 nan 0.000 0.418 233 L N -0.309 120.897 121.223 -0.028 0.000 2.209 233 L HA -0.093 4.246 4.340 -0.000 0.000 0.207 233 L C 2.579 179.382 176.870 -0.112 0.000 1.094 233 L CA 0.900 55.690 54.840 -0.084 0.000 0.790 233 L CB -0.837 41.141 42.059 -0.135 0.000 0.932 233 L HN 0.242 nan 8.230 nan 0.000 0.447 234 T N 0.806 115.317 114.554 -0.072 0.000 2.592 234 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 234 T C -0.475 174.089 174.700 -0.226 0.000 1.060 234 T CA 1.859 63.892 62.100 -0.112 0.000 1.167 234 T CB -1.458 67.404 68.868 -0.010 0.000 0.863 234 T HN 0.241 nan 8.240 nan 0.000 0.431 235 P HA -0.035 nan 4.420 nan 0.000 0.218 235 P C 1.457 178.600 177.300 -0.261 0.000 1.148 235 P CA 1.154 64.111 63.100 -0.238 0.000 0.822 235 P CB -0.093 31.421 31.700 -0.309 0.000 0.784 236 R N -1.116 119.248 120.500 -0.226 0.000 2.090 236 R HA 0.026 4.365 4.340 -0.000 0.000 0.228 236 R C 2.351 178.470 176.300 -0.303 0.000 1.110 236 R CA 1.245 57.215 56.100 -0.216 0.000 0.973 236 R CB -0.705 29.506 30.300 -0.149 0.000 0.869 236 R HN 0.229 nan 8.270 nan 0.000 0.440 237 M N 0.646 119.989 119.600 -0.428 0.000 2.059 237 M HA -0.093 4.387 4.480 -0.000 0.000 0.259 237 M C 2.633 178.421 176.300 -0.854 0.000 1.072 237 M CA 1.755 56.656 55.300 -0.664 0.000 1.117 237 M CB -0.951 31.084 32.600 -0.942 0.000 1.320 237 M HN 0.183 nan 8.290 nan 0.000 0.408 238 A N 0.952 123.183 122.820 -0.982 0.000 1.884 238 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 238 A C 2.256 179.641 177.584 -0.332 0.000 1.197 238 A CA 1.905 53.559 52.037 -0.639 0.000 0.637 238 A CB -1.186 17.590 19.000 -0.373 0.000 0.827 238 A HN 0.503 nan 8.150 nan 0.000 0.450 239 L N -1.127 119.932 121.223 -0.272 0.000 2.240 239 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 239 L C 2.657 179.445 176.870 -0.135 0.000 1.106 239 L CA 1.353 56.094 54.840 -0.166 0.000 0.793 239 L CB -0.493 41.485 42.059 -0.134 0.000 0.927 239 L HN 0.365 nan 8.230 nan 0.000 0.446 240 T N -0.757 113.689 114.554 -0.180 0.000 2.777 240 T HA -0.123 4.226 4.350 -0.000 0.000 0.266 240 T C 1.971 176.609 174.700 -0.102 0.000 1.040 240 T CA 1.211 63.231 62.100 -0.133 0.000 1.141 240 T CB -0.083 68.679 68.868 -0.176 0.000 0.868 240 T HN 0.056 nan 8.240 nan 0.000 0.444 241 V N 1.588 121.411 119.914 -0.153 0.000 2.515 241 V HA -0.090 4.030 4.120 -0.000 0.000 0.250 241 V C 2.784 178.845 176.094 -0.055 0.000 1.058 241 V CA 1.509 63.763 62.300 -0.077 0.000 1.064 241 V CB -1.075 30.717 31.823 -0.053 0.000 0.675 241 V HN 0.505 nan 8.190 nan 0.000 0.461 242 A N -0.360 122.399 122.820 -0.103 0.000 1.898 242 A HA -0.163 4.157 4.320 -0.000 0.000 0.214 242 A C 2.185 179.668 177.584 -0.168 0.000 1.183 242 A CA 1.436 53.388 52.037 -0.141 0.000 0.622 242 A CB -0.396 18.524 19.000 -0.134 0.000 0.824 242 A HN 0.544 nan 8.150 nan 0.000 0.444 243 E N -1.565 118.586 120.200 -0.082 0.000 2.110 243 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 243 E C 1.802 178.402 176.600 -0.001 0.000 0.988 243 E CA 1.514 57.907 56.400 -0.012 0.000 0.804 243 E CB -0.279 29.510 29.700 0.148 0.000 0.745 243 E HN 0.771 nan 8.360 nan 0.000 0.458 244 Y N 1.086 121.319 120.300 -0.111 0.000 2.133 244 Y HA -0.166 4.384 4.550 -0.000 0.000 0.287 244 Y C 1.850 177.635 175.900 -0.192 0.000 1.134 244 Y CA 1.421 59.448 58.100 -0.122 0.000 1.133 244 Y CB -0.302 38.060 38.460 -0.164 0.000 0.987 244 Y HN -0.065 nan 8.280 nan 0.000 0.502 245 L N -0.167 120.833 121.223 -0.372 0.000 2.083 245 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 245 L C 2.724 179.457 176.870 -0.228 0.000 1.083 245 L CA 1.136 55.704 54.840 -0.452 0.000 0.752 245 L CB -1.020 40.740 42.059 -0.498 0.000 0.899 245 L HN 0.365 nan 8.230 nan 0.000 0.433 246 A N 0.100 122.720 122.820 -0.333 0.000 1.840 246 A HA -0.106 4.214 4.320 -0.000 0.000 0.214 246 A C 1.812 179.150 177.584 -0.410 0.000 1.198 246 A CA 1.257 52.996 52.037 -0.497 0.000 0.608 246 A CB -0.765 17.671 19.000 -0.941 0.000 0.839 246 A HN 0.369 nan 8.150 nan 0.000 0.443 247 F N -0.185 119.741 119.950 -0.040 0.000 2.692 247 F HA 0.195 4.722 4.527 -0.000 0.000 0.303 247 F C 1.435 177.228 175.800 -0.011 0.000 1.114 247 F CA 0.240 58.228 58.000 -0.020 0.000 1.361 247 F CB 0.398 39.396 39.000 -0.004 0.000 1.063 247 F HN 0.298 nan 8.300 nan 0.000 0.550 248 E N -1.731 118.523 120.200 0.091 0.000 2.665 248 E HA 0.125 4.475 4.350 -0.000 0.000 0.225 248 E C 0.493 177.212 176.600 0.198 0.000 0.922 248 E CA 0.135 56.609 56.400 0.124 0.000 1.242 248 E CB 0.366 30.123 29.700 0.096 0.000 1.197 248 E HN 0.569 nan 8.360 nan 0.000 0.581 249 H N 0.464 119.444 119.070 -0.151 0.000 3.398 249 H HA 0.085 4.641 4.556 -0.000 0.000 0.260 249 H C -0.512 174.782 175.328 -0.056 0.000 1.189 249 H CA -0.107 55.898 56.048 -0.072 0.000 1.145 249 H CB 0.945 30.688 29.762 -0.033 0.000 1.599 249 H HN 0.031 nan 8.280 nan 0.000 0.615 250 D N 0.036 120.434 120.400 -0.002 0.000 3.012 250 D HA -0.224 4.416 4.640 -0.000 0.000 0.222 250 D C -0.420 175.724 176.300 -0.260 0.000 1.167 250 D CA 0.790 54.709 54.000 -0.135 0.000 0.854 250 D CB -1.816 38.905 40.800 -0.132 0.000 1.107 250 D HN 0.410 nan 8.370 nan 0.000 0.421 251 Y N 0.544 120.704 120.300 -0.233 0.000 2.411 251 Y HA 0.109 4.659 4.550 -0.000 0.000 0.333 251 Y C 1.643 177.310 175.900 -0.388 0.000 1.186 251 Y CA 0.356 58.314 58.100 -0.237 0.000 1.381 251 Y CB 0.549 38.895 38.460 -0.189 0.000 1.273 251 Y HN 0.002 nan 8.280 nan 0.000 0.546 252 H N 2.874 121.979 119.070 0.058 0.000 2.668 252 H HA 0.323 4.879 4.556 -0.000 0.000 0.303 252 H C -0.704 174.501 175.328 -0.204 0.000 1.074 252 H CA -0.267 55.786 56.048 0.008 0.000 1.406 252 H CB 0.635 30.506 29.762 0.182 0.000 1.442 252 H HN 0.305 nan 8.280 nan 0.000 0.482 253 V N 5.168 124.995 119.914 -0.145 0.000 2.513 253 V HA 0.152 4.272 4.120 -0.000 0.000 0.299 253 V C -0.118 175.841 176.094 -0.225 0.000 1.035 253 V CA -0.916 61.214 62.300 -0.283 0.000 0.889 253 V CB 2.183 33.872 31.823 -0.223 0.000 0.988 253 V HN 0.400 nan 8.190 nan 0.000 0.440 254 L N 6.132 127.183 121.223 -0.286 0.000 2.305 254 L HA 0.705 5.044 4.340 -0.000 0.000 0.284 254 L C -0.551 176.299 176.870 -0.033 0.000 1.013 254 L CA -0.067 54.731 54.840 -0.069 0.000 0.819 254 L CB 1.645 43.756 42.059 0.086 0.000 1.227 254 L HN 0.447 nan 8.230 nan 0.000 0.417 255 V N 6.700 126.605 119.914 -0.015 0.000 2.398 255 V HA 0.505 4.625 4.120 -0.000 0.000 0.286 255 V C 0.141 176.230 176.094 -0.007 0.000 1.026 255 V CA -0.407 61.882 62.300 -0.018 0.000 0.868 255 V CB 1.425 33.219 31.823 -0.049 0.000 0.982 255 V HN 0.620 nan 8.190 nan 0.000 0.443 256 I N 6.016 126.571 120.570 -0.024 0.000 2.406 256 I HA 0.484 4.654 4.170 -0.000 0.000 0.290 256 I C -0.870 175.088 176.117 -0.265 0.000 0.999 256 I CA -0.466 60.788 61.300 -0.077 0.000 1.124 256 I CB 1.717 39.743 38.000 0.042 0.000 1.289 256 I HN 0.379 nan 8.210 nan 0.000 0.441 257 L N 5.767 126.874 121.223 -0.193 0.000 2.345 257 L HA 0.535 4.874 4.340 -0.000 0.000 0.274 257 L C -0.118 176.650 176.870 -0.169 0.000 0.999 257 L CA -0.272 54.440 54.840 -0.214 0.000 0.849 257 L CB 1.706 43.697 42.059 -0.114 0.000 1.220 257 L HN 0.539 nan 8.230 nan 0.000 0.422 258 T N 0.674 115.076 114.554 -0.254 0.000 2.879 258 T HA 0.398 4.748 4.350 -0.000 0.000 0.290 258 T C -1.536 173.126 174.700 -0.064 0.000 0.993 258 T CA -0.485 61.548 62.100 -0.112 0.000 0.975 258 T CB 1.366 70.183 68.868 -0.085 0.000 0.981 258 T HN 0.559 nan 8.240 nan 0.000 0.439 259 D N 5.143 125.558 120.400 0.025 0.000 2.593 259 D HA 0.260 4.900 4.640 -0.000 0.000 0.251 259 D C 1.187 177.532 176.300 0.075 0.000 1.140 259 D CA -0.614 53.418 54.000 0.054 0.000 0.855 259 D CB 1.547 42.395 40.800 0.079 0.000 1.267 259 D HN 0.446 nan 8.370 nan 0.000 0.532 260 M N 2.056 121.702 119.600 0.076 0.000 2.374 260 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 260 M C 1.512 177.895 176.300 0.138 0.000 1.067 260 M CA 0.937 56.308 55.300 0.118 0.000 1.103 260 M CB -0.714 31.960 32.600 0.124 0.000 1.402 260 M HN 0.389 nan 8.290 nan 0.000 0.444 261 T N 1.014 115.614 114.554 0.077 0.000 2.746 261 T HA -0.098 4.251 4.350 -0.000 0.000 0.267 261 T C 1.642 176.397 174.700 0.092 0.000 1.039 261 T CA 1.287 63.418 62.100 0.052 0.000 1.142 261 T CB -0.286 68.582 68.868 0.001 0.000 0.866 261 T HN 0.365 nan 8.240 nan 0.000 0.444 262 N N 0.648 119.403 118.700 0.092 0.000 2.104 262 N HA -0.108 4.631 4.740 -0.000 0.000 0.190 262 N C 1.579 177.145 175.510 0.093 0.000 1.024 262 N CA 1.115 54.216 53.050 0.086 0.000 0.853 262 N CB -0.629 37.906 38.487 0.080 0.000 1.008 262 N HN 0.491 nan 8.380 nan 0.000 0.424 263 Y N 1.936 122.246 120.300 0.016 0.000 2.070 263 Y HA -0.217 4.332 4.550 -0.000 0.000 0.280 263 Y C 2.540 178.455 175.900 0.025 0.000 1.148 263 Y CA 1.886 59.988 58.100 0.003 0.000 1.125 263 Y CB -0.492 37.953 38.460 -0.026 0.000 0.975 263 Y HN -0.029 nan 8.280 nan 0.000 0.492 264 S N 0.128 115.911 115.700 0.138 0.000 2.382 264 S HA -0.186 4.283 4.470 -0.000 0.000 0.228 264 S C 1.798 176.482 174.600 0.139 0.000 1.027 264 S CA 1.343 59.590 58.200 0.078 0.000 0.991 264 S CB -0.326 62.897 63.200 0.040 0.000 0.823 264 S HN 0.541 nan 8.310 nan 0.000 0.469 265 E N 0.905 121.212 120.200 0.178 0.000 2.160 265 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 265 E C 2.219 178.831 176.600 0.020 0.000 0.991 265 E CA 1.032 57.533 56.400 0.168 0.000 0.810 265 E CB -0.169 29.604 29.700 0.122 0.000 0.742 265 E HN 0.523 nan 8.360 nan 0.000 0.466 266 A N 0.919 123.698 122.820 -0.068 0.000 1.898 266 A HA -0.100 4.219 4.320 -0.000 0.000 0.214 266 A C 2.113 179.594 177.584 -0.170 0.000 1.183 266 A CA 0.557 52.518 52.037 -0.127 0.000 0.622 266 A CB -0.424 18.476 19.000 -0.168 0.000 0.824 266 A HN 0.214 nan 8.150 nan 0.000 0.444 267 L N 0.685 121.742 121.223 -0.278 0.000 2.042 267 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 267 L C 2.606 179.437 176.870 -0.065 0.000 1.076 267 L CA 2.649 57.358 54.840 -0.219 0.000 0.749 267 L CB -0.452 41.460 42.059 -0.245 0.000 0.893 267 L HN 0.591 nan 8.230 nan 0.000 0.432 268 R N -0.732 119.752 120.500 -0.027 0.000 2.062 268 R HA -0.142 4.198 4.340 -0.000 0.000 0.229 268 R C 2.147 178.418 176.300 -0.049 0.000 1.128 268 R CA 1.565 57.641 56.100 -0.040 0.000 0.960 268 R CB -0.904 29.335 30.300 -0.100 0.000 0.855 268 R HN 0.423 nan 8.270 nan 0.000 0.432 269 E N 0.573 120.741 120.200 -0.053 0.000 2.068 269 E HA -0.205 4.144 4.350 -0.000 0.000 0.207 269 E C 1.775 178.368 176.600 -0.011 0.000 1.032 269 E CA 1.853 58.230 56.400 -0.037 0.000 0.839 269 E CB -0.083 29.597 29.700 -0.034 0.000 0.758 269 E HN 0.395 nan 8.360 nan 0.000 0.457 270 I N 0.190 120.754 120.570 -0.009 0.000 3.055 270 I HA -0.172 3.998 4.170 -0.000 0.000 0.277 270 I C 2.005 178.150 176.117 0.046 0.000 1.306 270 I CA 1.283 62.594 61.300 0.019 0.000 1.426 270 I CB -1.387 36.618 38.000 0.008 0.000 1.081 270 I HN 0.171 nan 8.210 nan 0.000 0.502 271 G N 0.061 108.882 108.800 0.035 0.000 2.768 271 G HA2 0.172 4.131 3.960 -0.000 0.000 0.201 271 G HA3 0.172 4.131 3.960 -0.000 0.000 0.201 271 G C 1.702 176.621 174.900 0.032 0.000 1.089 271 G CA 0.533 45.666 45.100 0.054 0.000 0.787 271 G HN 0.384 nan 8.290 nan 0.000 0.547 272 A N 0.812 123.634 122.820 0.002 0.000 2.125 272 A HA 0.410 4.730 4.320 -0.000 0.000 0.219 272 A C 2.211 179.806 177.584 0.019 0.000 1.156 272 A CA 1.996 54.032 52.037 -0.002 0.000 0.671 272 A CB -0.255 18.729 19.000 -0.026 0.000 0.794 272 A HN 0.842 nan 8.150 nan 0.000 0.459 273 A N -1.616 121.222 122.820 0.030 0.000 2.503 273 A HA 0.464 4.783 4.320 -0.000 0.000 0.263 273 A C 1.442 179.067 177.584 0.067 0.000 1.258 273 A CA 0.402 52.466 52.037 0.045 0.000 0.936 273 A CB -0.079 18.945 19.000 0.040 0.000 1.070 273 A HN 0.387 nan 8.150 nan 0.000 0.522 274 R N -0.274 120.268 120.500 0.070 0.000 2.541 274 R HA 0.184 4.524 4.340 -0.000 0.000 0.332 274 R C 0.602 176.951 176.300 0.082 0.000 0.951 274 R CA 1.231 57.382 56.100 0.085 0.000 1.136 274 R CB 0.253 30.605 30.300 0.087 0.000 1.449 274 R HN 0.366 nan 8.270 nan 0.000 0.531 275 E N -2.329 117.912 120.200 0.069 0.000 4.070 275 E HA -0.186 4.164 4.350 -0.000 0.000 0.327 275 E C -1.081 175.550 176.600 0.051 0.000 0.569 275 E CA 1.250 57.686 56.400 0.060 0.000 2.020 275 E CB -1.563 28.178 29.700 0.069 0.000 1.826 275 E HN 0.388 nan 8.360 nan 0.000 0.537 276 E N 3.139 123.375 120.200 0.061 0.000 2.465 276 E HA 0.149 4.499 4.350 -0.000 0.000 0.260 276 E C 0.589 177.210 176.600 0.036 0.000 0.980 276 E CA 0.635 57.075 56.400 0.067 0.000 0.927 276 E CB 0.319 30.087 29.700 0.114 0.000 0.934 276 E HN 0.413 nan 8.360 nan 0.000 0.459 277 I N 1.799 122.389 120.570 0.033 0.000 2.505 277 I HA 0.165 4.334 4.170 -0.000 0.000 0.287 277 I C -2.009 174.108 176.117 0.000 0.000 1.104 277 I CA -2.031 59.277 61.300 0.014 0.000 1.387 277 I CB -0.570 37.440 38.000 0.016 0.000 1.404 277 I HN 0.187 nan 8.210 nan 0.000 0.528 278 P HA 0.242 nan 4.420 nan 0.000 0.271 278 P C 0.454 177.738 177.300 -0.026 0.000 1.218 278 P CA -0.113 62.964 63.100 -0.038 0.000 0.780 278 P CB 0.868 32.532 31.700 -0.061 0.000 0.901 279 G N 1.296 110.081 108.800 -0.026 0.000 2.531 279 G HA2 0.251 4.211 3.960 -0.000 0.000 0.253 279 G HA3 0.251 4.211 3.960 -0.000 0.000 0.253 279 G C -0.351 174.546 174.900 -0.006 0.000 1.439 279 G CA -0.777 44.312 45.100 -0.017 0.000 1.056 279 G HN 0.589 nan 8.290 nan 0.000 0.555 280 R N -0.025 120.467 120.500 -0.012 0.000 2.678 280 R HA -0.028 4.312 4.340 -0.000 0.000 0.264 280 R C 0.705 177.003 176.300 -0.004 0.000 0.995 280 R CA 0.280 56.368 56.100 -0.019 0.000 1.098 280 R CB 0.080 30.357 30.300 -0.039 0.000 0.949 280 R HN 0.599 nan 8.270 nan 0.000 0.422 281 R N 2.031 122.520 120.500 -0.018 0.000 3.538 281 R HA -0.243 4.096 4.340 -0.000 0.000 0.252 281 R C 0.711 177.037 176.300 0.043 0.000 1.050 281 R CA 0.880 56.977 56.100 -0.004 0.000 0.699 281 R CB -2.126 28.128 30.300 -0.076 0.000 1.066 281 R HN 1.069 nan 8.270 nan 0.000 0.477 282 G N -1.037 107.767 108.800 0.008 0.000 2.225 282 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.264 282 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.264 282 G C -0.271 174.517 174.900 -0.186 0.000 1.060 282 G CA 0.434 45.491 45.100 -0.072 0.000 0.833 282 G HN 0.486 nan 8.290 nan 0.000 0.498 283 Y N -0.888 119.367 120.300 -0.075 0.000 2.630 283 Y HA 0.588 5.138 4.550 -0.000 0.000 0.337 283 Y C -1.983 173.830 175.900 -0.144 0.000 1.051 283 Y CA -2.667 55.379 58.100 -0.089 0.000 1.121 283 Y CB 1.573 39.989 38.460 -0.073 0.000 1.299 283 Y HN -0.004 nan 8.280 nan 0.000 0.498 284 P HA -0.015 nan 4.420 nan 0.000 0.263 284 P C 0.693 177.774 177.300 -0.366 0.000 1.195 284 P CA 0.630 63.532 63.100 -0.331 0.000 0.762 284 P CB 0.575 31.866 31.700 -0.683 0.000 0.799 285 G N 2.889 111.546 108.800 -0.240 0.000 2.517 285 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.222 285 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.222 285 G C 0.580 175.454 174.900 -0.043 0.000 1.109 285 G CA 0.694 45.741 45.100 -0.088 0.000 0.746 285 G HN 0.706 nan 8.290 nan 0.000 0.576 286 Y N -2.048 118.292 120.300 0.067 0.000 2.683 286 Y HA 0.626 5.176 4.550 -0.000 0.000 0.297 286 Y C 1.935 177.892 175.900 0.095 0.000 1.147 286 Y CA -0.525 57.623 58.100 0.081 0.000 1.274 286 Y CB -0.071 38.426 38.460 0.062 0.000 1.143 286 Y HN 0.081 nan 8.280 nan 0.000 0.527 287 M N -0.288 119.251 119.600 -0.102 0.000 2.229 287 M HA -0.125 4.354 4.480 -0.000 0.000 0.264 287 M C 1.918 178.282 176.300 0.106 0.000 1.063 287 M CA 1.647 56.934 55.300 -0.022 0.000 1.114 287 M CB -0.172 32.395 32.600 -0.056 0.000 1.387 287 M HN 0.619 nan 8.290 nan 0.000 0.420 288 Y N 0.560 120.871 120.300 0.019 0.000 2.145 288 Y HA -0.229 4.320 4.550 -0.000 0.000 0.286 288 Y C 2.030 177.967 175.900 0.063 0.000 1.145 288 Y CA 2.453 60.577 58.100 0.039 0.000 1.148 288 Y CB -0.730 37.737 38.460 0.010 0.000 0.981 288 Y HN 0.173 nan 8.280 nan 0.000 0.507 289 T N 0.060 114.705 114.554 0.151 0.000 2.708 289 T HA -0.212 4.138 4.350 -0.000 0.000 0.266 289 T C 1.386 176.077 174.700 -0.016 0.000 1.037 289 T CA 1.657 63.780 62.100 0.038 0.000 1.146 289 T CB -0.602 68.368 68.868 0.170 0.000 0.865 289 T HN 0.510 nan 8.240 nan 0.000 0.435 290 D N 1.034 121.502 120.400 0.113 0.000 2.127 290 D HA -0.120 4.520 4.640 -0.000 0.000 0.190 290 D C 2.026 178.281 176.300 -0.075 0.000 1.000 290 D CA 1.314 55.372 54.000 0.098 0.000 0.839 290 D CB -0.435 40.525 40.800 0.267 0.000 0.955 290 D HN 0.297 nan 8.370 nan 0.000 0.446 291 L N 0.078 121.212 121.223 -0.148 0.000 2.042 291 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 291 L C 2.709 179.294 176.870 -0.475 0.000 1.076 291 L CA 1.189 55.760 54.840 -0.448 0.000 0.749 291 L CB -0.693 41.136 42.059 -0.384 0.000 0.893 291 L HN 0.110 nan 8.230 nan 0.000 0.432 292 A N 0.512 123.132 122.820 -0.335 0.000 1.884 292 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 292 A C 2.414 179.894 177.584 -0.173 0.000 1.197 292 A CA 2.757 54.637 52.037 -0.262 0.000 0.637 292 A CB -1.312 17.460 19.000 -0.379 0.000 0.827 292 A HN 0.549 nan 8.150 nan 0.000 0.450 293 T N -2.435 112.023 114.554 -0.160 0.000 3.077 293 T HA 0.047 4.397 4.350 -0.000 0.000 0.269 293 T C 1.569 176.182 174.700 -0.146 0.000 1.146 293 T CA 1.408 63.440 62.100 -0.114 0.000 1.091 293 T CB -0.431 68.391 68.868 -0.077 0.000 0.892 293 T HN 0.407 nan 8.240 nan 0.000 0.533 294 I N -1.284 119.134 120.570 -0.254 0.000 2.681 294 I HA 0.109 4.278 4.170 -0.000 0.000 0.247 294 I C 2.081 178.108 176.117 -0.150 0.000 1.091 294 I CA 0.296 61.420 61.300 -0.293 0.000 1.442 294 I CB -0.118 37.558 38.000 -0.540 0.000 1.219 294 I HN 0.045 nan 8.210 nan 0.000 0.451 295 Y N 1.355 121.584 120.300 -0.118 0.000 2.224 295 Y HA -0.164 4.386 4.550 -0.000 0.000 0.289 295 Y C 2.445 178.313 175.900 -0.053 0.000 1.146 295 Y CA 0.692 58.742 58.100 -0.083 0.000 1.182 295 Y CB -0.708 37.710 38.460 -0.070 0.000 0.983 295 Y HN 0.161 nan 8.280 nan 0.000 0.524 296 E N 0.422 120.681 120.200 0.098 0.000 2.409 296 E HA -0.093 4.257 4.350 -0.000 0.000 0.198 296 E C 0.616 177.245 176.600 0.048 0.000 1.024 296 E CA 0.374 56.808 56.400 0.057 0.000 0.861 296 E CB -0.215 29.497 29.700 0.019 0.000 0.788 296 E HN 0.432 nan 8.360 nan 0.000 0.521 297 R N 0.713 121.235 120.500 0.038 0.000 4.792 297 R HA 0.311 4.651 4.340 -0.000 0.000 0.205 297 R C -0.239 176.109 176.300 0.081 0.000 1.875 297 R CA -0.055 56.073 56.100 0.047 0.000 1.588 297 R CB 0.150 30.454 30.300 0.006 0.000 1.401 297 R HN -0.077 nan 8.270 nan 0.000 0.834 298 A N -0.317 122.567 122.820 0.106 0.000 2.604 298 A HA 0.815 5.134 4.320 -0.000 0.000 0.295 298 A C -0.409 177.265 177.584 0.151 0.000 1.067 298 A CA -0.217 51.891 52.037 0.119 0.000 0.683 298 A CB 1.925 20.970 19.000 0.076 0.000 1.281 298 A HN 0.463 nan 8.150 nan 0.000 0.407 299 G N -1.264 107.653 108.800 0.196 0.000 2.357 299 G HA2 0.606 4.565 3.960 -0.000 0.000 0.289 299 G HA3 0.606 4.565 3.960 -0.000 0.000 0.289 299 G C -0.889 174.196 174.900 0.308 0.000 1.302 299 G CA 0.499 45.715 45.100 0.194 0.000 0.936 299 G HN 2.243 nan 8.290 nan 0.000 0.513 300 V N -2.890 117.157 119.914 0.222 0.000 2.914 300 V HA 0.953 5.073 4.120 -0.000 0.000 0.314 300 V C -0.201 175.961 176.094 0.113 0.000 1.084 300 V CA -1.081 61.370 62.300 0.252 0.000 0.963 300 V CB 1.549 33.489 31.823 0.197 0.000 1.025 300 V HN 1.320 nan 8.190 nan 0.000 0.432 301 V N 1.496 121.462 119.914 0.087 0.000 2.876 301 V HA 0.471 4.591 4.120 -0.000 0.000 0.312 301 V C -0.128 175.968 176.094 0.003 0.000 1.085 301 V CA -0.654 61.613 62.300 -0.054 0.000 0.945 301 V CB 1.981 33.633 31.823 -0.286 0.000 1.017 301 V HN 1.054 nan 8.190 nan 0.000 0.428 302 E N 1.987 122.178 120.200 -0.015 0.000 2.384 302 E HA 0.424 4.774 4.350 -0.000 0.000 0.266 302 E C 1.062 177.665 176.600 0.004 0.000 1.012 302 E CA 0.939 57.342 56.400 0.005 0.000 0.901 302 E CB 0.662 30.360 29.700 -0.002 0.000 0.967 302 E HN 1.133 nan 8.360 nan 0.000 0.435 303 G N 2.778 111.591 108.800 0.021 0.000 2.157 303 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.248 303 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.248 303 G C -0.169 174.752 174.900 0.036 0.000 0.979 303 G CA -0.169 44.944 45.100 0.022 0.000 0.650 303 G HN 0.317 nan 8.290 nan 0.000 0.529 304 K N -0.068 120.367 120.400 0.060 0.000 2.471 304 K HA 0.425 4.745 4.320 -0.000 0.000 0.252 304 K C 0.604 177.262 176.600 0.097 0.000 0.938 304 K CA -0.983 55.361 56.287 0.095 0.000 0.796 304 K CB 1.681 34.286 32.500 0.174 0.000 1.161 304 K HN -0.061 nan 8.250 nan 0.000 0.425 305 K N 0.929 121.361 120.400 0.055 0.000 2.288 305 K HA 0.008 4.328 4.320 -0.000 0.000 0.201 305 K C 0.960 177.539 176.600 -0.036 0.000 1.048 305 K CA 0.443 56.756 56.287 0.043 0.000 0.956 305 K CB 0.204 32.715 32.500 0.017 0.000 0.746 305 K HN 0.812 nan 8.250 nan 0.000 0.461 306 G N 0.093 108.822 108.800 -0.119 0.000 2.537 306 G HA2 0.379 4.339 3.960 -0.000 0.000 0.297 306 G HA3 0.379 4.339 3.960 -0.000 0.000 0.297 306 G C -0.720 174.087 174.900 -0.156 0.000 1.310 306 G CA -0.217 44.647 45.100 -0.394 0.000 1.027 306 G HN 0.202 nan 8.290 nan 0.000 0.505 307 S N -2.598 112.956 115.700 -0.242 0.000 2.567 307 S HA 0.564 5.034 4.470 -0.000 0.000 0.270 307 S C -1.638 172.854 174.600 -0.180 0.000 1.152 307 S CA -0.707 57.464 58.200 -0.048 0.000 0.835 307 S CB 1.791 65.149 63.200 0.263 0.000 1.115 307 S HN 0.848 nan 8.310 nan 0.000 0.459 308 V N 1.987 121.841 119.914 -0.101 0.000 2.487 308 V HA 0.723 4.843 4.120 -0.000 0.000 0.298 308 V C -0.501 175.604 176.094 0.019 0.000 1.028 308 V CA -0.231 62.018 62.300 -0.084 0.000 0.860 308 V CB 1.770 33.533 31.823 -0.099 0.000 0.991 308 V HN 1.077 nan 8.190 nan 0.000 0.427 309 T N 5.026 119.587 114.554 0.011 0.000 2.841 309 T HA 0.547 4.897 4.350 -0.000 0.000 0.283 309 T C -0.759 173.950 174.700 0.016 0.000 1.000 309 T CA -0.611 61.510 62.100 0.035 0.000 0.977 309 T CB 1.725 70.632 68.868 0.064 0.000 0.979 309 T HN 0.636 nan 8.240 nan 0.000 0.446 310 Q N 1.980 121.787 119.800 0.013 0.000 2.331 310 Q HA 0.542 4.882 4.340 -0.000 0.000 0.267 310 Q C -0.827 175.166 176.000 -0.011 0.000 1.006 310 Q CA -0.589 55.215 55.803 0.002 0.000 0.818 310 Q CB 2.301 31.048 28.738 0.015 0.000 1.276 310 Q HN 0.606 nan 8.270 nan 0.000 0.450 311 I N 4.511 125.078 120.570 -0.004 0.000 2.503 311 I HA 0.292 4.462 4.170 -0.000 0.000 0.277 311 I C -2.312 173.799 176.117 -0.011 0.000 1.078 311 I CA -2.151 59.144 61.300 -0.009 0.000 1.184 311 I CB 0.780 38.792 38.000 0.020 0.000 1.353 311 I HN 0.240 nan 8.210 nan 0.000 0.490 312 P HA 0.332 nan 4.420 nan 0.000 0.272 312 P C -0.522 176.804 177.300 0.043 0.000 1.230 312 P CA -0.033 63.078 63.100 0.019 0.000 0.788 312 P CB 1.039 32.757 31.700 0.030 0.000 0.949 313 I N 1.626 122.233 120.570 0.061 0.000 2.607 313 I HA 0.421 4.591 4.170 -0.000 0.000 0.290 313 I C -0.819 175.348 176.117 0.084 0.000 1.129 313 I CA -1.055 60.298 61.300 0.088 0.000 1.042 313 I CB 1.834 39.880 38.000 0.076 0.000 1.242 313 I HN 0.173 nan 8.210 nan 0.000 0.421 314 L N 3.142 124.418 121.223 0.088 0.000 2.505 314 L HA 0.604 4.944 4.340 -0.000 0.000 0.266 314 L C -0.295 176.567 176.870 -0.014 0.000 0.954 314 L CA -0.501 54.354 54.840 0.024 0.000 0.852 314 L CB 1.912 43.957 42.059 -0.024 0.000 1.282 314 L HN 0.498 nan 8.230 nan 0.000 0.403 315 S N 3.266 118.956 115.700 -0.017 0.000 2.448 315 S HA 0.617 5.087 4.470 -0.000 0.000 0.279 315 S C 0.147 174.685 174.600 -0.103 0.000 1.195 315 S CA -0.642 57.535 58.200 -0.038 0.000 1.051 315 S CB 0.234 63.424 63.200 -0.016 0.000 0.948 315 S HN 0.696 nan 8.310 nan 0.000 0.493 316 M N 4.063 123.588 119.600 -0.125 0.000 2.217 316 M HA 0.167 4.647 4.480 -0.000 0.000 0.352 316 M C -1.513 174.686 176.300 -0.168 0.000 1.376 316 M CA -1.818 53.374 55.300 -0.180 0.000 1.107 316 M CB 0.048 32.558 32.600 -0.149 0.000 1.723 316 M HN 0.361 nan 8.290 nan 0.000 0.461 317 P HA -0.172 nan 4.420 nan 0.000 0.216 317 P C -0.378 176.867 177.300 -0.091 0.000 1.157 317 P CA 1.524 64.495 63.100 -0.216 0.000 0.880 317 P CB 0.228 31.695 31.700 -0.389 0.000 0.791 318 D N -2.188 118.177 120.400 -0.058 0.000 2.952 318 D HA 0.098 4.737 4.640 -0.000 0.000 0.373 318 D C -0.673 175.627 176.300 -0.001 0.000 1.360 318 D CA -0.206 53.787 54.000 -0.012 0.000 0.788 318 D CB -0.368 40.441 40.800 0.015 0.000 1.192 318 D HN -0.118 nan 8.370 nan 0.000 0.462 319 D N 0.525 120.917 120.400 -0.013 0.000 2.955 319 D HA -0.202 4.438 4.640 -0.000 0.000 0.226 319 D C -0.381 175.929 176.300 0.017 0.000 1.178 319 D CA 0.950 54.953 54.000 0.004 0.000 0.808 319 D CB -0.683 40.129 40.800 0.021 0.000 1.099 319 D HN 0.368 nan 8.370 nan 0.000 0.421 320 D N -0.043 120.364 120.400 0.012 0.000 2.456 320 D HA 0.173 4.813 4.640 -0.000 0.000 0.219 320 D C 1.234 177.558 176.300 0.041 0.000 1.126 320 D CA -0.368 53.658 54.000 0.043 0.000 0.890 320 D CB 0.282 41.128 40.800 0.077 0.000 1.025 320 D HN 0.099 nan 8.370 nan 0.000 0.511 321 R N 1.295 121.818 120.500 0.038 0.000 2.293 321 R HA -0.088 4.251 4.340 -0.000 0.000 0.219 321 R C 1.534 177.863 176.300 0.049 0.000 1.091 321 R CA 1.364 57.482 56.100 0.031 0.000 1.004 321 R CB 0.181 30.532 30.300 0.086 0.000 0.865 321 R HN 0.403 nan 8.270 nan 0.000 0.469 322 T N -3.592 111.002 114.554 0.067 0.000 3.086 322 T HA -0.008 4.342 4.350 -0.000 0.000 0.250 322 T C 0.403 175.145 174.700 0.069 0.000 1.074 322 T CA -0.337 61.805 62.100 0.070 0.000 0.988 322 T CB -0.217 68.687 68.868 0.060 0.000 0.988 322 T HN 0.228 nan 8.240 nan 0.000 0.530 323 H N 2.254 121.315 119.070 -0.014 0.000 2.790 323 H HA 0.207 4.763 4.556 -0.000 0.000 0.358 323 H C -1.591 173.708 175.328 -0.048 0.000 1.103 323 H CA -1.100 54.932 56.048 -0.026 0.000 1.426 323 H CB 0.955 30.689 29.762 -0.047 0.000 1.424 323 H HN -0.124 nan 8.280 nan 0.000 0.599 324 P HA -0.227 nan 4.420 nan 0.000 0.216 324 P C 1.370 178.615 177.300 -0.090 0.000 1.154 324 P CA 1.685 64.641 63.100 -0.240 0.000 0.865 324 P CB 0.122 31.603 31.700 -0.366 0.000 0.789 325 I N 0.211 120.790 120.570 0.016 0.000 2.069 325 I HA -0.205 3.965 4.170 -0.000 0.000 0.237 325 I C -0.417 175.689 176.117 -0.018 0.000 1.053 325 I CA 2.349 63.637 61.300 -0.020 0.000 1.311 325 I CB -1.958 36.018 38.000 -0.039 0.000 1.030 325 I HN 0.083 nan 8.210 nan 0.000 0.398 326 P HA -0.138 nan 4.420 nan 0.000 0.222 326 P C 0.953 178.215 177.300 -0.063 0.000 1.153 326 P CA 1.644 64.577 63.100 -0.280 0.000 0.798 326 P CB -0.087 31.332 31.700 -0.468 0.000 0.796 327 D N 0.079 120.505 120.400 0.044 0.000 2.084 327 D HA -0.112 4.528 4.640 -0.000 0.000 0.196 327 D C 2.107 178.588 176.300 0.301 0.000 0.985 327 D CA 1.044 55.138 54.000 0.157 0.000 0.826 327 D CB -0.597 40.288 40.800 0.141 0.000 0.978 327 D HN 0.006 nan 8.370 nan 0.000 0.456 328 L N -0.138 121.233 121.223 0.247 0.000 2.027 328 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 328 L C 2.586 179.671 176.870 0.359 0.000 1.074 328 L CA 1.349 56.392 54.840 0.339 0.000 0.745 328 L CB -0.899 41.305 42.059 0.241 0.000 0.898 328 L HN 0.115 nan 8.230 nan 0.000 0.433 329 T N 0.078 114.797 114.554 0.274 0.000 2.699 329 T HA -0.198 4.151 4.350 -0.000 0.000 0.268 329 T C 1.834 176.660 174.700 0.210 0.000 1.036 329 T CA 1.555 63.823 62.100 0.281 0.000 1.147 329 T CB -0.642 68.338 68.868 0.187 0.000 0.862 329 T HN 0.598 nan 8.240 nan 0.000 0.446 330 G N -0.348 108.600 108.800 0.247 0.000 2.418 330 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 330 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 330 G C 1.174 176.133 174.900 0.099 0.000 1.158 330 G CA 0.422 45.637 45.100 0.192 0.000 0.771 330 G HN 0.524 nan 8.290 nan 0.000 0.545 331 Y N 0.104 120.507 120.300 0.171 0.000 2.571 331 Y HA 0.183 4.733 4.550 -0.000 0.000 0.294 331 Y C 2.334 178.363 175.900 0.215 0.000 1.141 331 Y CA 0.518 58.732 58.100 0.190 0.000 1.308 331 Y CB 0.143 38.744 38.460 0.236 0.000 1.002 331 Y HN 0.187 nan 8.280 nan 0.000 0.551 332 I N -1.881 118.872 120.570 0.305 0.000 3.300 332 I HA -0.009 4.161 4.170 -0.000 0.000 0.279 332 I C 1.151 177.319 176.117 0.085 0.000 1.172 332 I CA 0.334 61.757 61.300 0.205 0.000 1.431 332 I CB -0.083 38.045 38.000 0.214 0.000 1.240 332 I HN -0.050 nan 8.210 nan 0.000 0.453 333 T N -1.064 113.485 114.554 -0.008 0.000 2.874 333 T HA 0.254 4.603 4.350 -0.000 0.000 0.281 333 T C 0.161 174.823 174.700 -0.063 0.000 0.994 333 T CA -0.481 61.554 62.100 -0.108 0.000 1.015 333 T CB 1.180 69.902 68.868 -0.244 0.000 1.028 333 T HN 0.073 nan 8.240 nan 0.000 0.523 334 E N 0.879 121.033 120.200 -0.076 0.000 2.341 334 E HA 0.500 4.850 4.350 -0.000 0.000 0.279 334 E C 0.806 177.350 176.600 -0.092 0.000 1.395 334 E CA 0.009 56.373 56.400 -0.060 0.000 1.648 334 E CB -0.362 29.316 29.700 -0.038 0.000 1.524 334 E HN 1.040 nan 8.360 nan 0.000 0.462 335 G N 1.074 109.801 108.800 -0.121 0.000 2.337 335 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.197 335 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.197 335 G C -1.455 173.270 174.900 -0.292 0.000 1.238 335 G CA -0.448 44.551 45.100 -0.169 0.000 1.119 335 G HN 0.298 nan 8.290 nan 0.000 0.514 336 Q N -1.010 118.576 119.800 -0.356 0.000 2.939 336 Q HA 0.500 4.839 4.340 -0.000 0.000 0.274 336 Q C -2.165 173.582 176.000 -0.421 0.000 0.941 336 Q CA -0.738 54.716 55.803 -0.582 0.000 0.824 336 Q CB 0.561 28.463 28.738 -1.393 0.000 1.779 336 Q HN 1.154 nan 8.270 nan 0.000 0.470 337 I N 1.436 121.785 120.570 -0.368 0.000 2.378 337 I HA 0.393 4.563 4.170 -0.000 0.000 0.291 337 I C -0.227 175.798 176.117 -0.155 0.000 0.992 337 I CA -0.367 60.814 61.300 -0.197 0.000 1.154 337 I CB 1.991 39.924 38.000 -0.111 0.000 1.315 337 I HN 0.587 nan 8.210 nan 0.000 0.448 338 Q N 5.849 125.608 119.800 -0.068 0.000 2.312 338 Q HA 0.586 4.926 4.340 -0.000 0.000 0.263 338 Q C -1.471 174.564 176.000 0.057 0.000 0.995 338 Q CA -0.680 55.148 55.803 0.042 0.000 0.853 338 Q CB 1.706 30.489 28.738 0.076 0.000 1.300 338 Q HN 0.574 nan 8.270 nan 0.000 0.448 339 L N 2.956 124.227 121.223 0.080 0.000 2.259 339 L HA 0.320 4.660 4.340 -0.000 0.000 0.288 339 L C -0.078 176.826 176.870 0.057 0.000 1.051 339 L CA -0.488 54.383 54.840 0.052 0.000 0.824 339 L CB 1.336 43.416 42.059 0.034 0.000 1.206 339 L HN 0.587 nan 8.230 nan 0.000 0.429 340 S N 3.834 119.575 115.700 0.068 0.000 2.430 340 S HA 0.141 4.610 4.470 -0.000 0.000 0.282 340 S C 1.439 176.092 174.600 0.088 0.000 1.186 340 S CA -0.632 57.617 58.200 0.082 0.000 1.060 340 S CB 0.452 63.713 63.200 0.100 0.000 0.966 340 S HN 0.542 nan 8.310 nan 0.000 0.501 341 R N 3.329 123.875 120.500 0.077 0.000 2.139 341 R HA -0.147 4.193 4.340 -0.000 0.000 0.243 341 R C 1.999 178.381 176.300 0.136 0.000 1.145 341 R CA 1.662 57.823 56.100 0.103 0.000 0.976 341 R CB -0.563 29.782 30.300 0.075 0.000 0.866 341 R HN 0.859 nan 8.270 nan 0.000 0.449 342 E N 0.794 121.057 120.200 0.106 0.000 2.118 342 E HA -0.156 4.193 4.350 -0.000 0.000 0.195 342 E C 1.754 178.418 176.600 0.106 0.000 0.992 342 E CA 0.928 57.386 56.400 0.096 0.000 0.804 342 E CB 0.060 29.811 29.700 0.085 0.000 0.741 342 E HN 0.304 nan 8.360 nan 0.000 0.458 343 L N -0.402 120.896 121.223 0.125 0.000 2.492 343 L HA -0.026 4.314 4.340 -0.000 0.000 0.223 343 L C 2.290 179.251 176.870 0.152 0.000 1.132 343 L CA 0.349 55.262 54.840 0.122 0.000 0.850 343 L CB -0.423 41.706 42.059 0.116 0.000 0.966 343 L HN 0.189 nan 8.230 nan 0.000 0.454 344 H N 1.448 120.552 119.070 0.057 0.000 2.363 344 H HA -0.093 4.462 4.556 -0.000 0.000 0.301 344 H C 2.457 177.811 175.328 0.045 0.000 1.074 344 H CA 1.622 57.705 56.048 0.058 0.000 1.354 344 H CB 0.232 30.028 29.762 0.057 0.000 1.397 344 H HN 0.195 nan 8.280 nan 0.000 0.516 345 R N 0.870 121.387 120.500 0.028 0.000 2.062 345 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 345 R C 1.624 177.901 176.300 -0.039 0.000 1.136 345 R CA 1.337 57.415 56.100 -0.038 0.000 0.948 345 R CB -0.707 29.599 30.300 0.009 0.000 0.845 345 R HN 0.211 nan 8.270 nan 0.000 0.430 346 K N 0.756 121.157 120.400 0.001 0.000 2.641 346 K HA -0.089 4.231 4.320 -0.000 0.000 0.195 346 K C 0.721 177.312 176.600 -0.015 0.000 1.041 346 K CA 0.835 57.122 56.287 0.000 0.000 0.937 346 K CB -0.415 32.099 32.500 0.022 0.000 0.779 346 K HN 0.730 nan 8.250 nan 0.000 0.492 347 G N 1.244 110.020 108.800 -0.040 0.000 2.162 347 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 347 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 347 G C 0.215 175.116 174.900 0.003 0.000 0.976 347 G CA -0.037 45.034 45.100 -0.048 0.000 0.655 347 G HN 0.297 nan 8.290 nan 0.000 0.533 348 I N 0.009 120.602 120.570 0.038 0.000 2.474 348 I HA 0.551 4.721 4.170 -0.000 0.000 0.287 348 I C 0.136 176.354 176.117 0.169 0.000 1.048 348 I CA -0.779 60.566 61.300 0.074 0.000 1.383 348 I CB 1.074 39.102 38.000 0.046 0.000 1.412 348 I HN 0.184 nan 8.210 nan 0.000 0.531 349 Y N 8.170 128.482 120.300 0.020 0.000 2.513 349 Y HA 0.464 5.013 4.550 -0.000 0.000 0.340 349 Y C -2.805 173.093 175.900 -0.004 0.000 1.055 349 Y CA -2.528 55.593 58.100 0.035 0.000 1.020 349 Y CB 2.332 40.817 38.460 0.041 0.000 1.301 349 Y HN 0.307 nan 8.280 nan 0.000 0.453 350 P HA 0.202 nan 4.420 nan 0.000 0.276 350 P C -2.600 174.520 177.300 -0.301 0.000 1.253 350 P CA -1.436 61.079 63.100 -0.975 0.000 0.766 350 P CB 0.454 31.634 31.700 -0.866 0.000 0.845 351 P HA 0.051 nan 4.420 nan 0.000 0.245 351 P C -0.497 176.805 177.300 0.002 0.000 1.670 351 P CA 0.656 63.770 63.100 0.023 0.000 1.146 351 P CB -0.422 31.346 31.700 0.114 0.000 1.954 352 I N 3.419 123.974 120.570 -0.026 0.000 2.371 352 I HA 0.154 4.324 4.170 -0.000 0.000 0.282 352 I C 0.331 176.480 176.117 0.053 0.000 1.031 352 I CA -0.834 60.464 61.300 -0.004 0.000 1.180 352 I CB 1.153 39.123 38.000 -0.050 0.000 1.336 352 I HN 0.084 nan 8.210 nan 0.000 0.467 353 D N 8.111 128.569 120.400 0.097 0.000 2.280 353 D HA 0.196 4.836 4.640 -0.000 0.000 0.243 353 D C -1.965 174.436 176.300 0.169 0.000 1.129 353 D CA -2.431 51.672 54.000 0.173 0.000 0.848 353 D CB 1.544 42.474 40.800 0.217 0.000 1.107 353 D HN 0.198 nan 8.370 nan 0.000 0.471 354 P HA -0.096 nan 4.420 nan 0.000 0.222 354 P C 1.530 178.929 177.300 0.164 0.000 1.147 354 P CA 0.598 63.799 63.100 0.169 0.000 0.790 354 P CB 0.388 32.222 31.700 0.225 0.000 0.780 355 L N -0.215 121.193 121.223 0.308 0.000 2.072 355 L HA -0.009 4.331 4.340 -0.000 0.000 0.205 355 L C -0.247 176.735 176.870 0.187 0.000 1.079 355 L CA 1.562 56.633 54.840 0.384 0.000 0.752 355 L CB -2.351 39.926 42.059 0.364 0.000 0.906 355 L HN 0.050 nan 8.230 nan 0.000 0.436 356 P HA 0.041 nan 4.420 nan 0.000 0.240 356 P C 0.350 177.648 177.300 -0.003 0.000 1.190 356 P CA 0.493 63.632 63.100 0.065 0.000 0.781 356 P CB 0.277 32.023 31.700 0.078 0.000 0.931 357 S N 0.233 115.922 115.700 -0.020 0.000 2.617 357 S HA 0.523 4.993 4.470 -0.000 0.000 0.269 357 S C -0.263 174.258 174.600 -0.132 0.000 1.292 357 S CA -0.074 58.072 58.200 -0.089 0.000 1.010 357 S CB 0.271 63.433 63.200 -0.064 0.000 0.944 357 S HN 0.013 nan 8.310 nan 0.000 0.536 358 L N 1.154 122.285 121.223 -0.154 0.000 2.700 358 L HA 0.535 4.875 4.340 -0.000 0.000 0.255 358 L C -1.275 175.512 176.870 -0.138 0.000 0.933 358 L CA -0.046 54.703 54.840 -0.153 0.000 0.920 358 L CB 1.785 43.762 42.059 -0.136 0.000 1.472 358 L HN 0.563 nan 8.230 nan 0.000 0.426 359 S N 3.438 119.072 115.700 -0.111 0.000 2.664 359 S HA 0.522 4.992 4.470 -0.000 0.000 0.262 359 S C 0.707 175.266 174.600 -0.068 0.000 1.229 359 S CA -0.561 57.589 58.200 -0.084 0.000 1.151 359 S CB 0.881 64.046 63.200 -0.058 0.000 1.054 359 S HN 0.827 nan 8.310 nan 0.000 0.483 360 R N 2.921 123.382 120.500 -0.064 0.000 2.189 360 R HA 0.175 4.515 4.340 -0.000 0.000 0.223 360 R C 1.154 177.435 176.300 -0.031 0.000 1.092 360 R CA 1.132 57.203 56.100 -0.048 0.000 0.989 360 R CB -0.106 30.169 30.300 -0.043 0.000 0.876 360 R HN 0.596 nan 8.270 nan 0.000 0.457 361 L N -0.047 121.161 121.223 -0.025 0.000 2.667 361 L HA 0.158 4.498 4.340 -0.000 0.000 0.232 361 L C 1.904 178.766 176.870 -0.012 0.000 1.138 361 L CA -0.123 54.711 54.840 -0.011 0.000 0.921 361 L CB -0.119 41.941 42.059 0.002 0.000 1.180 361 L HN 0.262 nan 8.230 nan 0.000 0.487 362 M N 0.607 120.192 119.600 -0.025 0.000 2.065 362 M HA -0.219 4.261 4.480 -0.000 0.000 0.259 362 M C 1.688 177.950 176.300 -0.064 0.000 1.071 362 M CA 1.864 57.143 55.300 -0.035 0.000 1.109 362 M CB -0.121 32.453 32.600 -0.044 0.000 1.313 362 M HN 0.346 nan 8.290 nan 0.000 0.408 363 N N 1.560 120.224 118.700 -0.060 0.000 2.513 363 N HA -0.123 4.617 4.740 -0.000 0.000 0.187 363 N C 0.287 175.759 175.510 -0.062 0.000 1.056 363 N CA 1.061 54.070 53.050 -0.068 0.000 0.907 363 N CB -0.603 37.858 38.487 -0.043 0.000 0.954 363 N HN 0.582 nan 8.380 nan 0.000 0.445 364 N N -1.348 117.326 118.700 -0.044 0.000 2.234 364 N HA 0.151 4.891 4.740 -0.000 0.000 0.227 364 N C 1.062 176.559 175.510 -0.021 0.000 1.151 364 N CA 0.087 53.121 53.050 -0.027 0.000 0.865 364 N CB 0.473 38.956 38.487 -0.006 0.000 1.066 364 N HN 0.099 nan 8.380 nan 0.000 0.515 365 G N 0.110 108.884 108.800 -0.044 0.000 2.801 365 G HA2 0.194 4.154 3.960 -0.000 0.000 0.213 365 G HA3 0.194 4.154 3.960 -0.000 0.000 0.213 365 G C 0.482 175.321 174.900 -0.102 0.000 1.052 365 G CA 0.296 45.390 45.100 -0.011 0.000 0.868 365 G HN 0.204 nan 8.290 nan 0.000 0.589 366 V N -1.477 118.290 119.914 -0.245 0.000 3.403 366 V HA 0.914 5.034 4.120 -0.000 0.000 0.305 366 V C 0.745 176.685 176.094 -0.256 0.000 1.060 366 V CA 0.132 62.157 62.300 -0.459 0.000 1.053 366 V CB 0.766 32.014 31.823 -0.959 0.000 1.198 366 V HN 1.628 nan 8.190 nan 0.000 0.447 367 G N 0.912 109.589 108.800 -0.206 0.000 2.592 367 G HA2 -0.071 3.888 3.960 -0.000 0.000 0.684 367 G HA3 -0.071 3.888 3.960 -0.000 0.000 0.684 367 G C -0.451 174.424 174.900 -0.042 0.000 1.291 367 G CA -0.400 44.650 45.100 -0.082 0.000 0.891 367 G HN 1.688 nan 8.290 nan 0.000 0.544 368 K N 0.005 120.406 120.400 0.002 0.000 2.511 368 K HA 0.363 4.682 4.320 -0.000 0.000 0.277 368 K C 1.443 178.044 176.600 0.002 0.000 1.025 368 K CA 0.895 57.193 56.287 0.018 0.000 1.112 368 K CB 0.166 32.691 32.500 0.041 0.000 0.859 368 K HN 2.608 nan 8.250 nan 0.000 0.485 369 G N 2.799 111.601 108.800 0.003 0.000 2.253 369 G HA2 -0.342 3.617 3.960 -0.000 0.000 0.251 369 G HA3 -0.342 3.617 3.960 -0.000 0.000 0.251 369 G C 0.859 175.755 174.900 -0.007 0.000 0.998 369 G CA 0.658 45.760 45.100 0.004 0.000 0.621 369 G HN 0.616 nan 8.290 nan 0.000 0.524 370 K N -0.262 120.114 120.400 -0.041 0.000 2.286 370 K HA 0.343 4.663 4.320 -0.000 0.000 0.203 370 K C 2.025 178.509 176.600 -0.195 0.000 1.078 370 K CA 1.668 57.913 56.287 -0.071 0.000 0.957 370 K CB 0.216 32.664 32.500 -0.087 0.000 1.018 370 K HN 0.629 nan 8.250 nan 0.000 0.484 371 T N -2.248 112.174 114.554 -0.220 0.000 2.213 371 T HA 0.414 4.763 4.350 -0.000 0.000 0.184 371 T C -0.410 174.230 174.700 -0.101 0.000 0.716 371 T CA -0.754 61.187 62.100 -0.265 0.000 1.296 371 T CB 0.505 69.210 68.868 -0.272 0.000 2.422 371 T HN -0.147 nan 8.240 nan 0.000 0.446 372 R N 1.205 121.665 120.500 -0.066 0.000 2.787 372 R HA 0.397 4.737 4.340 -0.000 0.000 0.271 372 R C 0.995 177.289 176.300 -0.009 0.000 0.993 372 R CA -0.576 55.503 56.100 -0.035 0.000 0.993 372 R CB 1.188 31.437 30.300 -0.085 0.000 1.155 372 R HN 0.728 nan 8.270 nan 0.000 0.486 373 E N 1.678 121.888 120.200 0.018 0.000 2.502 373 E HA -0.109 4.240 4.350 -0.000 0.000 0.194 373 E C 0.034 176.564 176.600 -0.116 0.000 1.062 373 E CA 0.436 56.860 56.400 0.040 0.000 0.867 373 E CB 0.195 29.987 29.700 0.153 0.000 0.888 373 E HN 0.663 nan 8.360 nan 0.000 0.510 374 D N 0.384 120.616 120.400 -0.280 0.000 2.333 374 D HA -0.156 4.484 4.640 -0.000 0.000 0.208 374 D C 1.745 177.960 176.300 -0.142 0.000 0.984 374 D CA 0.156 53.864 54.000 -0.488 0.000 0.873 374 D CB -0.640 39.977 40.800 -0.305 0.000 0.935 374 D HN 0.393 nan 8.370 nan 0.000 0.521 375 H N 1.449 120.407 119.070 -0.185 0.000 2.261 375 H HA -0.236 4.319 4.556 -0.000 0.000 0.290 375 H C 2.193 177.459 175.328 -0.105 0.000 1.081 375 H CA 2.359 58.321 56.048 -0.144 0.000 1.196 375 H CB 0.210 29.879 29.762 -0.155 0.000 1.350 375 H HN 0.002 nan 8.280 nan 0.000 0.498 376 K N -0.058 120.378 120.400 0.059 0.000 2.020 376 K HA -0.248 4.071 4.320 -0.000 0.000 0.212 376 K C 2.535 179.153 176.600 0.031 0.000 1.050 376 K CA 2.264 58.540 56.287 -0.019 0.000 0.929 376 K CB -0.067 32.405 32.500 -0.046 0.000 0.714 376 K HN 0.499 nan 8.250 nan 0.000 0.443 377 Q N -0.289 119.534 119.800 0.039 0.000 2.084 377 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 377 Q C 2.145 178.142 176.000 -0.005 0.000 0.978 377 Q CA 1.609 57.440 55.803 0.046 0.000 0.844 377 Q CB 0.007 28.812 28.738 0.111 0.000 0.898 377 Q HN 0.165 nan 8.270 nan 0.000 0.426 378 V N 0.342 120.220 119.914 -0.060 0.000 2.343 378 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 378 V C 2.359 178.381 176.094 -0.120 0.000 1.051 378 V CA 1.959 64.134 62.300 -0.208 0.000 1.036 378 V CB -0.601 30.998 31.823 -0.373 0.000 0.654 378 V HN 0.368 nan 8.190 nan 0.000 0.451 379 S N -0.154 115.540 115.700 -0.009 0.000 2.370 379 S HA -0.242 4.228 4.470 -0.000 0.000 0.226 379 S C 1.664 176.298 174.600 0.056 0.000 1.033 379 S CA 2.102 60.330 58.200 0.047 0.000 1.011 379 S CB -0.430 62.846 63.200 0.126 0.000 0.852 379 S HN 0.700 nan 8.310 nan 0.000 0.457 380 D N 0.622 121.055 120.400 0.054 0.000 2.097 380 D HA -0.060 4.579 4.640 -0.000 0.000 0.197 380 D C 2.120 178.470 176.300 0.084 0.000 0.984 380 D CA 1.100 55.154 54.000 0.091 0.000 0.826 380 D CB -0.590 40.249 40.800 0.066 0.000 0.973 380 D HN 0.360 nan 8.370 nan 0.000 0.460 381 Q N 0.343 120.153 119.800 0.017 0.000 2.030 381 Q HA -0.087 4.252 4.340 -0.000 0.000 0.204 381 Q C 2.139 178.144 176.000 0.008 0.000 0.986 381 Q CA 1.133 56.927 55.803 -0.015 0.000 0.843 381 Q CB -0.529 28.161 28.738 -0.079 0.000 0.904 381 Q HN 0.277 nan 8.270 nan 0.000 0.420 382 L N -0.572 120.655 121.223 0.006 0.000 2.043 382 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 382 L C 2.088 178.986 176.870 0.047 0.000 1.075 382 L CA 1.621 56.478 54.840 0.028 0.000 0.752 382 L CB -0.668 41.358 42.059 -0.056 0.000 0.891 382 L HN 0.346 nan 8.230 nan 0.000 0.432 383 Y N 0.121 120.390 120.300 -0.051 0.000 2.122 383 Y HA -0.333 4.216 4.550 -0.000 0.000 0.249 383 Y C 2.917 178.819 175.900 0.003 0.000 1.070 383 Y CA 1.252 59.341 58.100 -0.019 0.000 1.059 383 Y CB -1.024 37.436 38.460 0.001 0.000 0.988 383 Y HN 0.104 nan 8.280 nan 0.000 0.480 384 S N -0.180 115.470 115.700 -0.083 0.000 2.490 384 S HA -0.432 4.038 4.470 -0.000 0.000 0.291 384 S C 2.035 176.543 174.600 -0.153 0.000 1.182 384 S CA 2.686 60.781 58.200 -0.174 0.000 1.215 384 S CB -1.258 61.903 63.200 -0.066 0.000 1.176 384 S HN 0.722 nan 8.310 nan 0.000 0.440 385 A N -1.712 121.085 122.820 -0.039 0.000 2.216 385 A HA 0.069 4.388 4.320 -0.000 0.000 0.214 385 A C 1.743 179.438 177.584 0.186 0.000 1.160 385 A CA 1.371 53.425 52.037 0.028 0.000 0.725 385 A CB -0.507 18.381 19.000 -0.187 0.000 0.784 385 A HN 0.772 nan 8.150 nan 0.000 0.472 386 Y N -0.772 119.465 120.300 -0.104 0.000 2.464 386 Y HA 0.335 4.885 4.550 -0.000 0.000 0.288 386 Y C 2.515 178.298 175.900 -0.195 0.000 1.133 386 Y CA 0.260 58.250 58.100 -0.183 0.000 1.223 386 Y CB -0.423 37.775 38.460 -0.437 0.000 1.187 386 Y HN 0.245 nan 8.280 nan 0.000 0.539 387 A N 0.559 123.223 122.820 -0.261 0.000 1.883 387 A HA -0.284 4.035 4.320 -0.000 0.000 0.217 387 A C 2.039 179.446 177.584 -0.294 0.000 1.186 387 A CA 2.252 54.074 52.037 -0.359 0.000 0.624 387 A CB -1.081 17.580 19.000 -0.566 0.000 0.822 387 A HN 0.580 nan 8.150 nan 0.000 0.444 388 N N -0.442 118.087 118.700 -0.286 0.000 2.244 388 N HA -0.035 4.705 4.740 -0.000 0.000 0.183 388 N C 1.636 176.975 175.510 -0.285 0.000 1.016 388 N CA 1.667 54.517 53.050 -0.332 0.000 0.866 388 N CB -0.383 37.814 38.487 -0.483 0.000 0.980 388 N HN 0.342 nan 8.380 nan 0.000 0.430 389 G N -0.814 107.881 108.800 -0.175 0.000 2.430 389 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.216 389 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.216 389 G C 1.510 176.298 174.900 -0.186 0.000 1.146 389 G CA 0.450 45.502 45.100 -0.081 0.000 0.793 389 G HN 0.215 nan 8.290 nan 0.000 0.537 390 V N 1.303 121.025 119.914 -0.319 0.000 2.379 390 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 390 V C 2.361 178.344 176.094 -0.185 0.000 1.044 390 V CA 1.946 64.062 62.300 -0.306 0.000 1.036 390 V CB -0.212 31.373 31.823 -0.396 0.000 0.664 390 V HN 0.257 nan 8.190 nan 0.000 0.453 391 D N -0.118 120.176 120.400 -0.178 0.000 2.310 391 D HA -0.077 4.563 4.640 -0.000 0.000 0.212 391 D C 1.958 178.192 176.300 -0.109 0.000 0.965 391 D CA 0.827 54.746 54.000 -0.135 0.000 0.879 391 D CB 0.035 40.748 40.800 -0.145 0.000 0.921 391 D HN 0.308 nan 8.370 nan 0.000 0.510 392 I N 0.600 121.105 120.570 -0.109 0.000 2.406 392 I HA -0.087 4.083 4.170 -0.000 0.000 0.249 392 I C 2.250 178.336 176.117 -0.051 0.000 1.122 392 I CA 0.608 61.865 61.300 -0.072 0.000 1.431 392 I CB -0.606 37.362 38.000 -0.053 0.000 1.087 392 I HN -0.021 nan 8.210 nan 0.000 0.424 393 R N 1.274 121.737 120.500 -0.061 0.000 2.103 393 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 393 R C 2.183 178.459 176.300 -0.040 0.000 1.142 393 R CA 1.388 57.460 56.100 -0.047 0.000 0.960 393 R CB -0.310 29.952 30.300 -0.063 0.000 0.858 393 R HN 0.417 nan 8.270 nan 0.000 0.439 394 K N 0.165 120.534 120.400 -0.051 0.000 2.148 394 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 394 K C 1.941 178.521 176.600 -0.032 0.000 1.050 394 K CA 0.859 57.122 56.287 -0.040 0.000 0.942 394 K CB -0.086 32.386 32.500 -0.046 0.000 0.724 394 K HN 0.001 nan 8.250 nan 0.000 0.446 395 L N 0.383 121.584 121.223 -0.037 0.000 2.093 395 L HA -0.107 4.232 4.340 -0.000 0.000 0.208 395 L C 1.225 178.083 176.870 -0.020 0.000 1.085 395 L CA 1.462 56.285 54.840 -0.030 0.000 0.755 395 L CB -0.055 41.983 42.059 -0.035 0.000 0.904 395 L HN -0.090 nan 8.230 nan 0.000 0.435 396 V N -1.419 118.485 119.914 -0.017 0.000 2.737 396 V HA 0.495 4.615 4.120 -0.000 0.000 0.320 396 V C 0.847 176.937 176.094 -0.007 0.000 1.174 396 V CA 0.285 62.579 62.300 -0.009 0.000 1.355 396 V CB -0.475 31.346 31.823 -0.004 0.000 1.558 396 V HN 0.228 nan 8.190 nan 0.000 0.618 397 A N 1.330 124.144 122.820 -0.009 0.000 2.666 397 A HA 0.417 4.737 4.320 -0.000 0.000 0.221 397 A C 1.616 179.198 177.584 -0.003 0.000 2.097 397 A CA 0.468 52.501 52.037 -0.007 0.000 0.835 397 A CB -0.165 18.828 19.000 -0.010 0.000 1.409 397 A HN 0.357 nan 8.150 nan 0.000 0.531 398 I N -0.339 120.230 120.570 -0.003 0.000 2.480 398 I HA -0.056 4.114 4.170 -0.000 0.000 0.251 398 I C 2.119 178.237 176.117 0.001 0.000 1.124 398 I CA 0.940 62.240 61.300 -0.000 0.000 1.444 398 I CB -0.131 37.870 38.000 0.000 0.000 1.098 398 I HN 0.322 nan 8.210 nan 0.000 0.428 399 I N 0.066 120.635 120.570 -0.000 0.000 2.385 399 I HA 0.075 4.244 4.170 -0.000 0.000 0.244 399 I C 1.107 177.225 176.117 0.001 0.000 1.089 399 I CA 0.541 61.842 61.300 0.000 0.000 1.410 399 I CB -0.063 37.937 38.000 -0.001 0.000 1.117 399 I HN 0.158 nan 8.210 nan 0.000 0.429 400 G N 1.254 110.055 108.800 0.001 0.000 2.719 400 G HA2 0.273 4.233 3.960 -0.000 0.000 0.284 400 G HA3 0.273 4.233 3.960 -0.000 0.000 0.284 400 G C -1.225 173.677 174.900 0.002 0.000 1.488 400 G CA -0.399 44.702 45.100 0.002 0.000 1.139 400 G HN -0.026 nan 8.290 nan 0.000 0.552 401 E N 1.612 121.814 120.200 0.004 0.000 2.373 401 E HA 0.315 4.665 4.350 -0.000 0.000 0.263 401 E C -0.264 176.340 176.600 0.007 0.000 1.073 401 E CA -0.045 56.358 56.400 0.005 0.000 0.894 401 E CB 0.675 30.380 29.700 0.007 0.000 1.008 401 E HN 0.449 nan 8.360 nan 0.000 0.420 402 D N 0.837 121.242 120.400 0.008 0.000 3.110 402 D HA -0.152 4.488 4.640 -0.000 0.000 0.214 402 D C -0.782 175.523 176.300 0.008 0.000 1.112 402 D CA 0.974 54.980 54.000 0.010 0.000 0.927 402 D CB -1.298 39.508 40.800 0.010 0.000 1.095 402 D HN 0.427 nan 8.370 nan 0.000 0.429 403 A N 0.315 123.138 122.820 0.006 0.000 3.118 403 A HA 0.503 4.823 4.320 -0.000 0.000 0.256 403 A C -0.137 177.450 177.584 0.005 0.000 1.667 403 A CA 0.049 52.088 52.037 0.004 0.000 1.338 403 A CB -0.042 18.958 19.000 0.000 0.000 1.127 403 A HN 0.165 nan 8.150 nan 0.000 0.634 404 L N 0.044 121.272 121.223 0.009 0.000 2.466 404 L HA 0.557 4.897 4.340 -0.000 0.000 0.258 404 L C 0.661 177.541 176.870 0.018 0.000 0.973 404 L CA 0.139 54.988 54.840 0.014 0.000 0.826 404 L CB 2.141 44.212 42.059 0.019 0.000 1.372 404 L HN 0.501 nan 8.230 nan 0.000 0.409 405 T N -1.371 113.196 114.554 0.021 0.000 2.889 405 T HA 0.206 4.555 4.350 -0.000 0.000 0.340 405 T C 0.813 175.531 174.700 0.030 0.000 1.145 405 T CA 0.326 62.440 62.100 0.024 0.000 0.986 405 T CB 0.305 69.188 68.868 0.025 0.000 1.461 405 T HN 0.656 nan 8.240 nan 0.000 0.541 406 E N 0.442 120.660 120.200 0.030 0.000 2.021 406 E HA -0.131 4.219 4.350 -0.000 0.000 0.189 406 E C 2.084 178.708 176.600 0.039 0.000 0.980 406 E CA 1.304 57.723 56.400 0.030 0.000 0.803 406 E CB -0.553 29.160 29.700 0.023 0.000 0.766 406 E HN 0.714 nan 8.360 nan 0.000 0.449 407 N N 1.007 119.737 118.700 0.049 0.000 2.084 407 N HA -0.158 4.582 4.740 -0.000 0.000 0.190 407 N C 1.406 176.996 175.510 0.133 0.000 1.030 407 N CA 2.052 55.141 53.050 0.066 0.000 0.849 407 N CB -0.177 38.364 38.487 0.089 0.000 1.012 407 N HN 0.069 nan 8.380 nan 0.000 0.423 408 D N -0.287 120.202 120.400 0.149 0.000 2.350 408 D HA -0.093 4.546 4.640 -0.000 0.000 0.216 408 D C 1.628 178.004 176.300 0.127 0.000 0.968 408 D CA 0.334 54.437 54.000 0.170 0.000 0.894 408 D CB -0.071 40.774 40.800 0.076 0.000 0.909 408 D HN 0.311 nan 8.370 nan 0.000 0.520 409 R N 0.556 121.109 120.500 0.088 0.000 2.115 409 R HA 0.043 4.383 4.340 -0.000 0.000 0.230 409 R C 2.089 178.438 176.300 0.082 0.000 1.111 409 R CA 0.516 56.658 56.100 0.071 0.000 0.976 409 R CB 0.014 30.343 30.300 0.049 0.000 0.870 409 R HN 0.225 nan 8.270 nan 0.000 0.445 410 R N -1.135 119.406 120.500 0.068 0.000 2.140 410 R HA 0.013 4.353 4.340 -0.000 0.000 0.213 410 R C 1.790 178.111 176.300 0.034 0.000 1.059 410 R CA 0.562 56.680 56.100 0.029 0.000 1.000 410 R CB -0.019 30.251 30.300 -0.049 0.000 0.910 410 R HN 0.259 nan 8.270 nan 0.000 0.455 411 Y N 0.311 120.631 120.300 0.032 0.000 2.497 411 Y HA -0.172 4.378 4.550 -0.000 0.000 0.292 411 Y C 2.028 177.994 175.900 0.110 0.000 1.137 411 Y CA 0.458 58.577 58.100 0.031 0.000 1.285 411 Y CB 0.171 38.610 38.460 -0.036 0.000 0.991 411 Y HN 0.027 nan 8.280 nan 0.000 0.556 412 L N -0.287 121.070 121.223 0.223 0.000 2.102 412 L HA -0.130 4.209 4.340 -0.000 0.000 0.202 412 L C 1.848 178.816 176.870 0.163 0.000 1.076 412 L CA 1.705 56.638 54.840 0.155 0.000 0.761 412 L CB -0.415 41.704 42.059 0.100 0.000 0.921 412 L HN 0.026 nan 8.230 nan 0.000 0.444 413 Q N -1.663 118.234 119.800 0.161 0.000 2.488 413 Q HA -0.106 4.234 4.340 -0.000 0.000 0.211 413 Q C 1.555 177.687 176.000 0.220 0.000 0.967 413 Q CA 0.894 56.790 55.803 0.156 0.000 0.926 413 Q CB -0.202 28.611 28.738 0.125 0.000 0.992 413 Q HN 0.538 nan 8.270 nan 0.000 0.506 414 F N -0.688 119.330 119.950 0.114 0.000 2.664 414 F HA 0.198 4.724 4.527 -0.000 0.000 0.296 414 F C 1.638 177.573 175.800 0.226 0.000 1.125 414 F CA 0.530 58.617 58.000 0.146 0.000 1.444 414 F CB 0.224 39.279 39.000 0.092 0.000 1.114 414 F HN 0.047 nan 8.300 nan 0.000 0.576 415 A N -0.137 122.834 122.820 0.251 0.000 1.943 415 A HA 0.001 4.320 4.320 -0.000 0.000 0.213 415 A C 1.819 179.555 177.584 0.253 0.000 1.181 415 A CA 1.197 53.400 52.037 0.277 0.000 0.653 415 A CB -0.613 18.458 19.000 0.119 0.000 0.833 415 A HN 0.328 nan 8.150 nan 0.000 0.451 416 D N 0.922 121.411 120.400 0.148 0.000 2.092 416 D HA -0.089 4.551 4.640 -0.000 0.000 0.193 416 D C 2.026 178.347 176.300 0.035 0.000 0.994 416 D CA 1.856 55.908 54.000 0.086 0.000 0.828 416 D CB -0.493 40.340 40.800 0.054 0.000 0.963 416 D HN 0.420 nan 8.370 nan 0.000 0.450 417 A N -0.174 122.670 122.820 0.039 0.000 2.021 417 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 417 A C 1.929 179.541 177.584 0.047 0.000 1.163 417 A CA 0.141 52.166 52.037 -0.020 0.000 0.676 417 A CB -0.837 18.273 19.000 0.183 0.000 0.818 417 A HN 0.201 nan 8.150 nan 0.000 0.453 418 F N 1.133 120.995 119.950 -0.146 0.000 2.202 418 F HA -0.184 4.343 4.527 -0.000 0.000 0.301 418 F C 1.966 177.725 175.800 -0.069 0.000 1.082 418 F CA 2.148 60.019 58.000 -0.216 0.000 1.313 418 F CB 0.017 38.719 39.000 -0.496 0.000 1.024 418 F HN 0.351 nan 8.300 nan 0.000 0.495 419 E N -0.218 120.027 120.200 0.075 0.000 2.005 419 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 419 E C 2.177 178.706 176.600 -0.119 0.000 0.987 419 E CA 0.953 57.354 56.400 0.002 0.000 0.814 419 E CB -0.307 29.447 29.700 0.089 0.000 0.772 419 E HN 0.043 nan 8.360 nan 0.000 0.453 420 R N 0.015 120.390 120.500 -0.207 0.000 2.154 420 R HA -0.160 4.180 4.340 -0.000 0.000 0.248 420 R C 1.474 177.515 176.300 -0.432 0.000 1.155 420 R CA 1.690 57.552 56.100 -0.397 0.000 0.979 420 R CB -0.288 29.625 30.300 -0.644 0.000 0.869 420 R HN 0.233 nan 8.270 nan 0.000 0.452 421 F N -3.104 116.814 119.950 -0.054 0.000 2.479 421 F HA 0.164 4.691 4.527 -0.000 0.000 0.280 421 F C 1.719 177.448 175.800 -0.120 0.000 0.982 421 F CA -0.192 57.770 58.000 -0.064 0.000 1.276 421 F CB -0.523 38.459 39.000 -0.030 0.000 1.137 421 F HN -0.082 nan 8.300 nan 0.000 0.660 422 F N 1.504 121.338 119.950 -0.194 0.000 2.009 422 F HA -0.120 4.407 4.527 -0.000 0.000 0.293 422 F C 2.267 177.817 175.800 -0.416 0.000 1.156 422 F CA 1.715 59.452 58.000 -0.439 0.000 1.168 422 F CB -0.460 37.940 39.000 -1.001 0.000 0.981 422 F HN -0.210 nan 8.300 nan 0.000 0.475 423 I N 0.170 120.536 120.570 -0.340 0.000 2.208 423 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 423 I C 0.496 176.491 176.117 -0.203 0.000 1.097 423 I CA 1.461 62.604 61.300 -0.261 0.000 1.363 423 I CB -0.734 37.181 38.000 -0.142 0.000 1.051 423 I HN 0.186 nan 8.210 nan 0.000 0.413 424 N N 1.428 120.040 118.700 -0.146 0.000 2.918 424 N HA 0.016 4.756 4.740 -0.000 0.000 0.247 424 N C 0.779 176.251 175.510 -0.065 0.000 1.117 424 N CA -0.200 52.799 53.050 -0.085 0.000 1.005 424 N CB 0.209 38.660 38.487 -0.061 0.000 1.297 424 N HN 0.311 nan 8.380 nan 0.000 0.513 425 Q N 1.760 121.507 119.800 -0.087 0.000 2.247 425 Q HA 0.244 4.584 4.340 -0.000 0.000 0.211 425 Q C 1.065 177.075 176.000 0.016 0.000 0.861 425 Q CA 0.080 55.847 55.803 -0.061 0.000 0.949 425 Q CB 0.450 29.105 28.738 -0.139 0.000 1.115 425 Q HN 0.397 nan 8.270 nan 0.000 0.507 426 G N 2.327 111.190 108.800 0.104 0.000 2.646 426 G HA2 -0.364 3.595 3.960 -0.000 0.000 0.324 426 G HA3 -0.364 3.595 3.960 -0.000 0.000 0.324 426 G C 0.637 175.704 174.900 0.279 0.000 1.195 426 G CA 0.712 45.971 45.100 0.264 0.000 0.976 426 G HN 0.403 nan 8.290 nan 0.000 0.546 427 Q N 1.215 121.099 119.800 0.140 0.000 2.135 427 Q HA 0.207 4.547 4.340 -0.000 0.000 0.222 427 Q C 0.624 176.646 176.000 0.036 0.000 0.808 427 Q CA 0.059 55.925 55.803 0.106 0.000 1.049 427 Q CB 0.888 29.664 28.738 0.063 0.000 1.168 427 Q HN 0.775 nan 8.270 nan 0.000 0.483 428 Q N 1.263 121.072 119.800 0.015 0.000 2.337 428 Q HA 0.082 4.422 4.340 -0.000 0.000 0.270 428 Q C 0.103 176.083 176.000 -0.034 0.000 1.002 428 Q CA 0.019 55.812 55.803 -0.016 0.000 0.888 428 Q CB 0.457 29.177 28.738 -0.029 0.000 1.222 428 Q HN -0.073 nan 8.270 nan 0.000 0.400 429 N N 2.888 121.566 118.700 -0.037 0.000 2.602 429 N HA 0.050 4.789 4.740 -0.000 0.000 0.238 429 N C -1.124 174.350 175.510 -0.059 0.000 1.084 429 N CA -0.121 52.898 53.050 -0.051 0.000 0.952 429 N CB 0.332 38.791 38.487 -0.047 0.000 1.244 429 N HN 0.361 nan 8.380 nan 0.000 0.512 430 R N 1.263 121.717 120.500 -0.077 0.000 2.234 430 R HA 0.172 4.512 4.340 -0.000 0.000 0.324 430 R C 0.440 176.702 176.300 -0.064 0.000 1.054 430 R CA -0.437 55.616 56.100 -0.079 0.000 0.912 430 R CB 0.576 30.803 30.300 -0.120 0.000 1.030 430 R HN 0.574 nan 8.270 nan 0.000 0.455 431 S N 3.139 118.815 115.700 -0.041 0.000 2.579 431 S HA 0.001 4.471 4.470 -0.000 0.000 0.275 431 S C 1.506 176.105 174.600 -0.003 0.000 1.345 431 S CA -0.786 57.406 58.200 -0.014 0.000 1.031 431 S CB 0.728 63.925 63.200 -0.005 0.000 0.892 431 S HN 0.551 nan 8.310 nan 0.000 0.529 432 I N 1.784 122.384 120.570 0.050 0.000 2.236 432 I HA -0.180 3.990 4.170 -0.000 0.000 0.249 432 I C 2.107 178.196 176.117 -0.048 0.000 1.102 432 I CA 1.631 62.944 61.300 0.022 0.000 1.365 432 I CB -1.501 36.553 38.000 0.089 0.000 1.051 432 I HN 0.838 nan 8.210 nan 0.000 0.420 433 E N 0.382 120.569 120.200 -0.022 0.000 2.051 433 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 433 E C 2.110 178.704 176.600 -0.010 0.000 0.991 433 E CA 1.464 57.851 56.400 -0.022 0.000 0.799 433 E CB -0.217 29.483 29.700 -0.001 0.000 0.748 433 E HN 0.549 nan 8.360 nan 0.000 0.449 434 E N 0.300 120.492 120.200 -0.012 0.000 2.153 434 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 434 E C 2.083 178.673 176.600 -0.017 0.000 0.988 434 E CA 1.166 57.558 56.400 -0.013 0.000 0.811 434 E CB -0.059 29.624 29.700 -0.028 0.000 0.746 434 E HN 0.110 nan 8.360 nan 0.000 0.466 435 S N 1.158 116.835 115.700 -0.038 0.000 2.368 435 S HA -0.066 4.404 4.470 -0.000 0.000 0.224 435 S C 2.002 176.630 174.600 0.047 0.000 1.029 435 S CA 0.744 58.920 58.200 -0.040 0.000 0.988 435 S CB -0.082 63.066 63.200 -0.087 0.000 0.838 435 S HN 0.190 nan 8.310 nan 0.000 0.462 436 L N 1.081 122.301 121.223 -0.005 0.000 2.418 436 L HA 0.033 4.372 4.340 -0.000 0.000 0.218 436 L C 2.699 179.659 176.870 0.150 0.000 1.125 436 L CA 0.607 55.449 54.840 0.004 0.000 0.835 436 L CB -0.293 41.711 42.059 -0.092 0.000 0.953 436 L HN 0.382 nan 8.230 nan 0.000 0.454 437 Q N 0.761 120.633 119.800 0.120 0.000 2.062 437 Q HA -0.155 4.185 4.340 -0.000 0.000 0.196 437 Q C 2.337 178.431 176.000 0.157 0.000 0.967 437 Q CA 1.369 57.265 55.803 0.156 0.000 0.832 437 Q CB 0.100 28.885 28.738 0.079 0.000 0.899 437 Q HN 0.488 nan 8.270 nan 0.000 0.442 438 I N 1.002 121.635 120.570 0.105 0.000 2.226 438 I HA -0.264 3.905 4.170 -0.000 0.000 0.245 438 I C 2.488 178.695 176.117 0.151 0.000 1.100 438 I CA 0.965 62.325 61.300 0.100 0.000 1.374 438 I CB -0.427 37.628 38.000 0.092 0.000 1.057 438 I HN 0.236 nan 8.210 nan 0.000 0.413 439 A N 0.164 123.083 122.820 0.165 0.000 1.917 439 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 439 A C 2.065 179.651 177.584 0.003 0.000 1.182 439 A CA 1.695 53.754 52.037 0.037 0.000 0.633 439 A CB -1.204 17.765 19.000 -0.052 0.000 0.819 439 A HN 0.593 nan 8.150 nan 0.000 0.448 440 W N -0.859 120.481 121.300 0.067 0.000 2.467 440 W HA 0.130 4.790 4.660 -0.000 0.000 0.275 440 W C 2.534 179.088 176.519 0.059 0.000 1.239 440 W CA 0.839 58.234 57.345 0.083 0.000 1.266 440 W CB 0.174 29.684 29.460 0.083 0.000 1.112 440 W HN 0.388 nan 8.180 nan 0.000 0.576 441 A N -0.707 122.266 122.820 0.255 0.000 2.132 441 A HA 0.043 4.363 4.320 -0.000 0.000 0.213 441 A C 1.736 179.394 177.584 0.124 0.000 1.154 441 A CA 0.620 52.732 52.037 0.125 0.000 0.753 441 A CB -0.494 18.529 19.000 0.037 0.000 0.826 441 A HN 0.257 nan 8.150 nan 0.000 0.469 442 L N -0.768 120.553 121.223 0.163 0.000 2.068 442 L HA -0.064 4.276 4.340 -0.000 0.000 0.204 442 L C 2.436 179.597 176.870 0.486 0.000 1.076 442 L CA 0.739 55.712 54.840 0.222 0.000 0.753 442 L CB -0.530 41.577 42.059 0.079 0.000 0.910 442 L HN 0.342 nan 8.230 nan 0.000 0.439 443 L N -0.535 120.932 121.223 0.407 0.000 1.971 443 L HA -0.254 4.086 4.340 -0.000 0.000 0.215 443 L C 2.501 179.505 176.870 0.225 0.000 1.072 443 L CA 1.441 56.458 54.840 0.294 0.000 0.758 443 L CB -0.619 41.483 42.059 0.071 0.000 0.889 443 L HN 0.198 nan 8.230 nan 0.000 0.433 444 S N -0.615 115.197 115.700 0.186 0.000 2.571 444 S HA -0.128 4.342 4.470 -0.000 0.000 0.245 444 S C 1.776 176.353 174.600 -0.038 0.000 0.976 444 S CA 0.869 58.999 58.200 -0.116 0.000 0.954 444 S CB -0.279 62.554 63.200 -0.613 0.000 0.756 444 S HN 0.312 nan 8.310 nan 0.000 0.535 445 M N 0.548 120.198 119.600 0.084 0.000 2.175 445 M HA 0.000 4.480 4.480 -0.000 0.000 0.264 445 M C 0.296 176.602 176.300 0.011 0.000 1.063 445 M CA 1.050 56.400 55.300 0.082 0.000 1.119 445 M CB -0.339 32.383 32.600 0.203 0.000 1.377 445 M HN 0.250 nan 8.290 nan 0.000 0.415 446 L N 0.113 121.300 121.223 -0.060 0.000 2.436 446 L HA 0.240 4.579 4.340 -0.000 0.000 0.265 446 L C -2.214 174.678 176.870 0.036 0.000 1.168 446 L CA -2.212 52.525 54.840 -0.172 0.000 0.815 446 L CB -0.651 41.179 42.059 -0.383 0.000 1.109 446 L HN -0.154 nan 8.230 nan 0.000 0.462 447 P HA 0.107 nan 4.420 nan 0.000 0.274 447 P C -0.085 177.224 177.300 0.014 0.000 1.246 447 P CA -0.465 62.673 63.100 0.063 0.000 0.795 447 P CB 0.565 32.266 31.700 0.000 0.000 1.006 448 Q N 0.828 120.585 119.800 -0.071 0.000 2.061 448 Q HA -0.127 4.212 4.340 -0.000 0.000 0.204 448 Q C 2.139 178.062 176.000 -0.128 0.000 0.984 448 Q CA 1.987 57.635 55.803 -0.257 0.000 0.846 448 Q CB -0.884 27.655 28.738 -0.331 0.000 0.902 448 Q HN 0.700 nan 8.270 nan 0.000 0.421 449 G N 0.459 109.216 108.800 -0.071 0.000 2.625 449 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.214 449 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.214 449 G C 0.945 175.834 174.900 -0.019 0.000 1.132 449 G CA 0.272 45.348 45.100 -0.039 0.000 0.782 449 G HN 0.312 nan 8.290 nan 0.000 0.538 450 E N -0.252 119.934 120.200 -0.023 0.000 2.340 450 E HA 0.088 4.438 4.350 -0.000 0.000 0.194 450 E C 0.530 177.133 176.600 0.004 0.000 0.996 450 E CA -0.190 56.214 56.400 0.007 0.000 0.869 450 E CB 0.110 29.794 29.700 -0.028 0.000 0.835 450 E HN 0.383 nan 8.360 nan 0.000 0.493 451 L N 2.282 123.495 121.223 -0.017 0.000 2.451 451 L HA 0.087 4.426 4.340 -0.000 0.000 0.272 451 L C 1.155 178.033 176.870 0.012 0.000 1.258 451 L CA 0.172 55.009 54.840 -0.004 0.000 1.132 451 L CB -0.221 41.852 42.059 0.024 0.000 1.361 451 L HN -0.123 nan 8.230 nan 0.000 0.438 452 K N 0.988 121.395 120.400 0.012 0.000 2.314 452 K HA 0.104 4.424 4.320 -0.000 0.000 0.198 452 K C 1.348 177.962 176.600 0.023 0.000 1.045 452 K CA 0.307 56.603 56.287 0.015 0.000 0.988 452 K CB 0.285 32.790 32.500 0.008 0.000 0.783 452 K HN 0.415 nan 8.250 nan 0.000 0.484 453 R N 0.922 121.437 120.500 0.025 0.000 2.335 453 R HA 0.217 4.557 4.340 -0.000 0.000 0.223 453 R C 0.168 176.505 176.300 0.063 0.000 0.940 453 R CA 0.328 56.450 56.100 0.036 0.000 1.086 453 R CB -0.107 30.210 30.300 0.028 0.000 1.073 453 R HN 0.170 nan 8.270 nan 0.000 0.504 454 I N 1.139 121.758 120.570 0.082 0.000 2.465 454 I HA 0.105 4.275 4.170 -0.000 0.000 0.291 454 I C 0.417 176.624 176.117 0.151 0.000 1.014 454 I CA -1.017 60.378 61.300 0.157 0.000 1.093 454 I CB 2.038 40.157 38.000 0.198 0.000 1.267 454 I HN -0.075 nan 8.210 nan 0.000 0.431 455 S N 5.569 121.373 115.700 0.174 0.000 2.546 455 S HA 0.090 4.559 4.470 -0.000 0.000 0.290 455 S C 1.120 175.747 174.600 0.045 0.000 1.290 455 S CA -0.384 57.851 58.200 0.059 0.000 1.069 455 S CB 0.920 64.093 63.200 -0.045 0.000 0.846 455 S HN 0.631 nan 8.310 nan 0.000 0.495 456 K N 2.322 122.727 120.400 0.009 0.000 2.144 456 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 456 K C 1.708 178.306 176.600 -0.005 0.000 1.047 456 K CA 2.235 58.522 56.287 0.001 0.000 0.927 456 K CB -0.541 31.945 32.500 -0.022 0.000 0.716 456 K HN 0.968 nan 8.250 nan 0.000 0.454 457 D N -1.110 119.265 120.400 -0.041 0.000 2.103 457 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 457 D C 1.776 178.084 176.300 0.014 0.000 0.978 457 D CA 1.213 55.180 54.000 -0.054 0.000 0.829 457 D CB -0.988 39.750 40.800 -0.103 0.000 0.981 457 D HN 0.417 nan 8.370 nan 0.000 0.464 458 H N 0.980 120.107 119.070 0.095 0.000 2.325 458 H HA -0.155 4.401 4.556 -0.000 0.000 0.293 458 H C 2.400 177.822 175.328 0.156 0.000 1.106 458 H CA 1.517 57.693 56.048 0.212 0.000 1.247 458 H CB -0.176 29.813 29.762 0.379 0.000 1.359 458 H HN 0.122 nan 8.280 nan 0.000 0.488 459 I N 0.063 120.832 120.570 0.332 0.000 2.065 459 I HA -0.340 3.829 4.170 -0.000 0.000 0.236 459 I C 2.903 178.980 176.117 -0.066 0.000 1.028 459 I CA 1.659 63.070 61.300 0.184 0.000 1.299 459 I CB -0.778 37.258 38.000 0.060 0.000 1.015 459 I HN 0.408 nan 8.210 nan 0.000 0.396 460 G N 0.320 109.076 108.800 -0.074 0.000 2.499 460 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.221 460 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.221 460 G C 1.690 176.479 174.900 -0.185 0.000 1.109 460 G CA 0.769 45.810 45.100 -0.097 0.000 0.749 460 G HN 0.366 nan 8.290 nan 0.000 0.568 461 K N -0.786 119.421 120.400 -0.321 0.000 1.991 461 K HA -0.008 4.312 4.320 -0.000 0.000 0.207 461 K C 1.732 177.885 176.600 -0.745 0.000 1.045 461 K CA 1.186 57.103 56.287 -0.617 0.000 0.937 461 K CB -0.135 31.757 32.500 -1.013 0.000 0.720 461 K HN 0.515 nan 8.250 nan 0.000 0.438 462 Y N -1.975 117.929 120.300 -0.661 0.000 2.467 462 Y HA 0.063 4.613 4.550 -0.000 0.000 0.250 462 Y C 1.526 176.929 175.900 -0.828 0.000 1.155 462 Y CA -0.411 57.098 58.100 -0.985 0.000 1.249 462 Y CB 0.250 37.514 38.460 -1.994 0.000 1.146 462 Y HN 0.117 nan 8.280 nan 0.000 0.524 463 Y N 0.285 120.249 120.300 -0.560 0.000 2.441 463 Y HA 0.476 5.026 4.550 -0.000 0.000 0.288 463 Y C 1.235 177.094 175.900 -0.068 0.000 1.118 463 Y CA 0.464 58.474 58.100 -0.151 0.000 1.215 463 Y CB 0.271 38.718 38.460 -0.022 0.000 1.118 463 Y HN -0.069 nan 8.280 nan 0.000 0.547 464 G N 0.000 108.827 108.800 0.046 0.000 5.446 464 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 464 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 464 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 464 G HN 0.000 nan 8.290 nan 0.000 0.925