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 3oee_1_N DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAVGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.605 174.600 0.009 0.000 1.055 6 S CA 0.000 58.204 58.200 0.007 0.000 1.107 6 S CB 0.000 63.203 63.200 0.005 0.000 0.593 7 T N 4.219 118.780 114.554 0.011 0.000 3.422 7 T HA 0.379 4.729 4.350 -0.000 0.000 0.327 7 T C -3.109 171.604 174.700 0.021 0.000 0.840 7 T CA -0.601 61.508 62.100 0.014 0.000 1.126 7 T CB 1.518 70.394 68.868 0.012 0.000 1.008 7 T HN 0.218 nan 8.240 nan 0.000 0.485 8 P HA 0.347 nan 4.420 nan 0.000 0.271 8 P C -0.580 176.750 177.300 0.050 0.000 1.233 8 P CA -0.339 62.782 63.100 0.034 0.000 0.764 8 P CB 0.387 32.104 31.700 0.029 0.000 0.825 9 I N 1.929 122.540 120.570 0.068 0.000 2.317 9 I HA 0.172 4.342 4.170 -0.000 0.000 0.286 9 I C 0.988 177.226 176.117 0.201 0.000 1.119 9 I CA -0.152 61.209 61.300 0.102 0.000 1.228 9 I CB 0.371 38.408 38.000 0.062 0.000 1.476 9 I HN 0.199 nan 8.210 nan 0.000 0.514 10 T N 3.284 117.939 114.554 0.167 0.000 2.918 10 T HA 0.776 5.126 4.350 -0.000 0.000 0.283 10 T C 0.238 174.939 174.700 0.001 0.000 1.001 10 T CA -0.332 61.841 62.100 0.121 0.000 1.041 10 T CB 1.258 70.146 68.868 0.033 0.000 1.028 10 T HN 0.727 nan 8.240 nan 0.000 0.511 11 G N 1.668 110.269 108.800 -0.332 0.000 2.725 11 G HA2 0.668 4.628 3.960 -0.000 0.000 0.288 11 G HA3 0.668 4.628 3.960 -0.000 0.000 0.288 11 G C -1.687 172.932 174.900 -0.467 0.000 1.399 11 G CA -0.645 43.909 45.100 -0.910 0.000 0.859 11 G HN 0.645 nan 8.290 nan 0.000 0.479 12 K N -0.174 119.987 120.400 -0.398 0.000 2.316 12 K HA 0.547 4.867 4.320 -0.000 0.000 0.251 12 K C -0.639 175.874 176.600 -0.146 0.000 0.934 12 K CA -0.677 55.492 56.287 -0.197 0.000 0.802 12 K CB 2.770 35.188 32.500 -0.137 0.000 1.171 12 K HN 0.244 nan 8.250 nan 0.000 0.426 13 V N 2.970 122.828 119.914 -0.094 0.000 2.521 13 V HA -0.007 4.113 4.120 -0.000 0.000 0.286 13 V C 1.251 177.322 176.094 -0.038 0.000 1.034 13 V CA 0.481 62.750 62.300 -0.051 0.000 1.045 13 V CB 0.842 32.645 31.823 -0.035 0.000 0.974 13 V HN 1.051 nan 8.190 nan 0.000 0.480 14 T N 0.982 115.527 114.554 -0.014 0.000 2.985 14 T HA 0.607 4.957 4.350 -0.000 0.000 0.254 14 T C 0.297 174.995 174.700 -0.003 0.000 1.021 14 T CA 0.433 62.527 62.100 -0.010 0.000 0.957 14 T CB 0.530 69.406 68.868 0.013 0.000 1.047 14 T HN 1.059 nan 8.240 nan 0.000 0.511 15 A N 0.459 123.281 122.820 0.003 0.000 2.565 15 A HA 0.634 4.954 4.320 -0.000 0.000 0.298 15 A C -1.581 176.006 177.584 0.006 0.000 1.062 15 A CA -0.688 51.353 52.037 0.006 0.000 0.723 15 A CB 1.516 20.524 19.000 0.014 0.000 1.282 15 A HN 0.312 nan 8.150 nan 0.000 0.400 16 V N 3.135 123.051 119.914 0.003 0.000 2.447 16 V HA 0.475 4.595 4.120 -0.000 0.000 0.292 16 V C -0.761 175.334 176.094 0.003 0.000 1.021 16 V CA -0.025 62.277 62.300 0.003 0.000 0.850 16 V CB 1.177 33.001 31.823 0.001 0.000 1.005 16 V HN 0.703 nan 8.190 nan 0.000 0.426 17 I N 4.598 125.170 120.570 0.004 0.000 2.437 17 I HA 0.621 4.791 4.170 -0.000 0.000 0.279 17 I C 1.192 177.310 176.117 0.001 0.000 1.028 17 I CA 0.053 61.354 61.300 0.002 0.000 1.142 17 I CB 1.356 39.357 38.000 0.003 0.000 1.266 17 I HN 0.800 nan 8.210 nan 0.000 0.461 18 G N 4.884 113.684 108.800 -0.001 0.000 2.672 18 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.324 18 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.324 18 G C 0.851 175.752 174.900 0.001 0.000 1.286 18 G CA 0.549 45.648 45.100 -0.002 0.000 1.004 18 G HN 0.865 nan 8.290 nan 0.000 0.548 19 A N -0.317 122.503 122.820 -0.001 0.000 2.327 19 A HA 0.573 4.893 4.320 -0.000 0.000 0.228 19 A C 0.671 178.259 177.584 0.005 0.000 1.275 19 A CA 0.362 52.400 52.037 0.002 0.000 0.875 19 A CB -0.191 18.808 19.000 -0.001 0.000 0.925 19 A HN 0.534 nan 8.150 nan 0.000 0.493 20 I N 0.852 121.426 120.570 0.006 0.000 2.404 20 I HA 0.415 4.585 4.170 -0.000 0.000 0.293 20 I C -0.683 175.443 176.117 0.016 0.000 0.992 20 I CA -0.569 60.738 61.300 0.012 0.000 1.149 20 I CB 1.392 39.398 38.000 0.009 0.000 1.315 20 I HN -0.135 nan 8.210 nan 0.000 0.446 21 V N 5.119 125.047 119.914 0.024 0.000 2.656 21 V HA 0.439 4.558 4.120 -0.000 0.000 0.307 21 V C -0.831 175.288 176.094 0.041 0.000 1.051 21 V CA -0.753 61.563 62.300 0.027 0.000 0.893 21 V CB 2.619 34.458 31.823 0.026 0.000 0.999 21 V HN 0.579 nan 8.190 nan 0.000 0.426 22 D N 2.700 123.124 120.400 0.039 0.000 2.278 22 D HA 0.675 5.315 4.640 -0.000 0.000 0.245 22 D C -0.686 175.646 176.300 0.053 0.000 1.052 22 D CA -0.110 53.922 54.000 0.054 0.000 0.834 22 D CB 2.276 43.105 40.800 0.048 0.000 1.194 22 D HN 0.276 nan 8.370 nan 0.000 0.481 23 V N 2.069 122.034 119.914 0.085 0.000 2.735 23 V HA 0.287 4.406 4.120 -0.000 0.000 0.310 23 V C -0.262 175.861 176.094 0.050 0.000 1.061 23 V CA -0.872 61.449 62.300 0.035 0.000 0.913 23 V CB 2.276 34.135 31.823 0.059 0.000 1.005 23 V HN 0.566 nan 8.190 nan 0.000 0.428 24 H N 2.661 121.602 119.070 -0.214 0.000 2.533 24 H HA 0.721 5.277 4.556 -0.000 0.000 0.343 24 H C -1.685 173.402 175.328 -0.402 0.000 1.160 24 H CA -0.269 55.694 56.048 -0.143 0.000 1.218 24 H CB 1.807 31.504 29.762 -0.109 0.000 1.566 24 H HN 0.523 nan 8.280 nan 0.000 0.522 25 F N 0.307 120.094 119.950 -0.272 0.000 2.894 25 F HA 0.234 4.760 4.527 -0.000 0.000 0.332 25 F C -0.162 175.565 175.800 -0.122 0.000 1.192 25 F CA -0.899 57.030 58.000 -0.119 0.000 0.980 25 F CB 1.045 39.959 39.000 -0.143 0.000 1.448 25 F HN 0.392 nan 8.300 nan 0.000 0.514 26 E N 0.335 120.643 120.200 0.180 0.000 2.222 26 E HA 0.268 4.618 4.350 -0.000 0.000 0.272 26 E C -1.157 175.462 176.600 0.031 0.000 0.982 26 E CA -0.854 55.598 56.400 0.087 0.000 0.842 26 E CB 0.947 30.698 29.700 0.086 0.000 1.144 26 E HN 0.400 nan 8.360 nan 0.000 0.397 27 Q N 1.023 120.832 119.800 0.015 0.000 3.359 27 Q HA -0.124 4.216 4.340 -0.000 0.000 0.378 27 Q C 0.137 176.126 176.000 -0.018 0.000 1.043 27 Q CA 1.053 56.852 55.803 -0.006 0.000 1.248 27 Q CB -0.530 28.211 28.738 0.005 0.000 0.987 27 Q HN 0.755 nan 8.270 nan 0.000 0.436 28 S N 1.343 117.017 115.700 -0.042 0.000 3.549 28 S HA -0.282 4.188 4.470 -0.000 0.000 0.366 28 S C 0.230 174.794 174.600 -0.059 0.000 1.012 28 S CA 1.536 59.705 58.200 -0.052 0.000 1.141 28 S CB -0.908 62.274 63.200 -0.031 0.000 0.910 28 S HN 0.866 nan 8.310 nan 0.000 0.471 29 E N -0.573 119.580 120.200 -0.079 0.000 2.758 29 E HA 0.364 4.714 4.350 -0.000 0.000 0.215 29 E C -0.126 176.331 176.600 -0.237 0.000 0.985 29 E CA -0.401 55.948 56.400 -0.085 0.000 1.102 29 E CB 0.361 30.065 29.700 0.007 0.000 1.042 29 E HN 0.744 nan 8.360 nan 0.000 0.480 30 L N 3.431 124.475 121.223 -0.298 0.000 2.319 30 L HA 0.254 4.593 4.340 -0.000 0.000 0.280 30 L C -1.909 174.697 176.870 -0.440 0.000 1.099 30 L CA -1.691 52.833 54.840 -0.526 0.000 0.828 30 L CB 0.343 42.079 42.059 -0.538 0.000 1.150 30 L HN -0.000 nan 8.230 nan 0.000 0.442 31 P HA 0.088 nan 4.420 nan 0.000 0.269 31 P C -0.631 176.635 177.300 -0.057 0.000 1.209 31 P CA -0.445 62.479 63.100 -0.294 0.000 0.776 31 P CB 0.807 32.309 31.700 -0.330 0.000 0.876 32 A N 3.826 126.639 122.820 -0.012 0.000 2.445 32 A HA 0.175 4.495 4.320 -0.000 0.000 0.242 32 A C 0.702 178.289 177.584 0.005 0.000 1.075 32 A CA -0.453 51.599 52.037 0.026 0.000 0.777 32 A CB -0.551 18.433 19.000 -0.026 0.000 1.013 32 A HN 0.559 nan 8.150 nan 0.000 0.493 33 I N 1.564 122.081 120.570 -0.089 0.000 2.826 33 I HA -0.101 4.068 4.170 -0.000 0.000 0.295 33 I C 0.783 176.830 176.117 -0.117 0.000 1.213 33 I CA 0.895 62.118 61.300 -0.128 0.000 1.436 33 I CB 0.045 37.911 38.000 -0.223 0.000 1.348 33 I HN 0.746 nan 8.210 nan 0.000 0.570 34 L N 2.145 123.308 121.223 -0.100 0.000 4.110 34 L HA -0.246 4.094 4.340 -0.000 0.000 0.404 34 L C 0.347 177.203 176.870 -0.024 0.000 0.763 34 L CA 0.065 54.830 54.840 -0.124 0.000 2.413 34 L CB -1.447 40.431 42.059 -0.300 0.000 1.244 34 L HN 0.672 nan 8.230 nan 0.000 0.614 35 N N 1.113 119.804 118.700 -0.016 0.000 2.441 35 N HA 0.446 5.186 4.740 -0.000 0.000 0.251 35 N C 0.224 175.751 175.510 0.028 0.000 1.242 35 N CA 1.013 54.066 53.050 0.005 0.000 0.898 35 N CB 0.795 39.272 38.487 -0.017 0.000 1.100 35 N HN 0.315 nan 8.380 nan 0.000 0.443 36 A N 2.437 125.279 122.820 0.036 0.000 2.290 36 A HA 0.580 4.900 4.320 -0.000 0.000 0.310 36 A C -0.486 177.127 177.584 0.049 0.000 1.202 36 A CA -0.578 51.486 52.037 0.046 0.000 0.837 36 A CB 0.182 19.209 19.000 0.044 0.000 1.139 36 A HN 0.600 nan 8.150 nan 0.000 0.509 37 L N 1.867 123.129 121.223 0.064 0.000 2.334 37 L HA 0.556 4.896 4.340 -0.000 0.000 0.273 37 L C -0.001 176.910 176.870 0.068 0.000 1.013 37 L CA -0.477 54.415 54.840 0.086 0.000 0.816 37 L CB 1.904 44.043 42.059 0.133 0.000 1.278 37 L HN 0.734 nan 8.230 nan 0.000 0.431 38 E N 2.751 122.990 120.200 0.065 0.000 2.222 38 E HA 0.599 4.949 4.350 -0.000 0.000 0.267 38 E C -1.249 175.373 176.600 0.037 0.000 0.884 38 E CA -0.594 55.833 56.400 0.044 0.000 0.764 38 E CB 3.131 32.852 29.700 0.035 0.000 1.169 38 E HN 0.395 nan 8.360 nan 0.000 0.413 39 I N 2.566 123.151 120.570 0.026 0.000 2.436 39 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 39 I C -0.181 175.942 176.117 0.011 0.000 1.010 39 I CA -0.745 60.564 61.300 0.015 0.000 1.098 39 I CB 1.610 39.617 38.000 0.011 0.000 1.266 39 I HN 0.164 nan 8.210 nan 0.000 0.434 40 K N 4.739 125.143 120.400 0.007 0.000 2.297 40 K HA 0.419 4.739 4.320 -0.000 0.000 0.286 40 K C -0.205 176.397 176.600 0.002 0.000 1.053 40 K CA -0.204 56.085 56.287 0.004 0.000 0.940 40 K CB 1.236 33.739 32.500 0.003 0.000 1.019 40 K HN 0.709 nan 8.250 nan 0.000 0.475 41 T N -0.759 113.797 114.554 0.003 0.000 2.916 41 T HA 0.338 4.688 4.350 -0.000 0.000 0.292 41 T C -1.738 172.963 174.700 0.001 0.000 1.064 41 T CA -1.707 60.394 62.100 0.001 0.000 1.011 41 T CB 1.569 70.439 68.868 0.003 0.000 1.152 41 T HN 0.246 nan 8.240 nan 0.000 0.510 42 P HA -0.088 nan 4.420 nan 0.000 0.217 42 P C 1.734 179.036 177.300 0.002 0.000 1.148 42 P CA 1.835 64.935 63.100 0.001 0.000 0.828 42 P CB -0.238 31.462 31.700 0.000 0.000 0.783 43 Q N -0.187 119.615 119.800 0.002 0.000 2.036 43 Q HA 0.320 4.660 4.340 -0.000 0.000 0.195 43 Q C 1.901 177.903 176.000 0.004 0.000 0.971 43 Q CA 1.718 57.523 55.803 0.003 0.000 0.826 43 Q CB -0.932 27.808 28.738 0.004 0.000 0.896 43 Q HN 0.407 nan 8.270 nan 0.000 0.449 44 G N -0.573 108.229 108.800 0.004 0.000 3.535 44 G HA2 0.402 4.361 3.960 -0.000 0.000 0.169 44 G HA3 0.402 4.361 3.960 -0.000 0.000 0.169 44 G C -0.905 173.999 174.900 0.005 0.000 1.241 44 G CA 0.252 45.355 45.100 0.004 0.000 1.334 44 G HN 0.687 nan 8.290 nan 0.000 0.717 45 K N -0.095 120.309 120.400 0.007 0.000 2.427 45 K HA 0.732 5.051 4.320 -0.000 0.000 0.252 45 K C -1.670 174.937 176.600 0.011 0.000 0.931 45 K CA -0.832 55.461 56.287 0.009 0.000 0.793 45 K CB 2.814 35.319 32.500 0.010 0.000 1.211 45 K HN 0.485 nan 8.250 nan 0.000 0.426 46 L N 3.250 124.481 121.223 0.013 0.000 2.265 46 L HA 0.313 4.653 4.340 -0.000 0.000 0.288 46 L C -1.096 175.787 176.870 0.022 0.000 1.058 46 L CA -0.266 54.583 54.840 0.016 0.000 0.809 46 L CB 1.445 43.513 42.059 0.014 0.000 1.179 46 L HN 0.548 nan 8.230 nan 0.000 0.429 47 V N 6.523 126.451 119.914 0.023 0.000 2.509 47 V HA 0.404 4.524 4.120 -0.000 0.000 0.284 47 V C 0.269 176.383 176.094 0.034 0.000 1.047 47 V CA -0.470 61.848 62.300 0.030 0.000 0.952 47 V CB 1.286 33.125 31.823 0.027 0.000 0.988 47 V HN 0.660 nan 8.190 nan 0.000 0.469 48 L N 3.691 124.940 121.223 0.044 0.000 2.362 48 L HA 0.629 4.969 4.340 -0.000 0.000 0.271 48 L C -0.128 176.775 176.870 0.054 0.000 1.002 48 L CA -0.490 54.379 54.840 0.049 0.000 0.818 48 L CB 2.081 44.175 42.059 0.058 0.000 1.298 48 L HN 0.616 nan 8.230 nan 0.000 0.420 49 E N 1.931 122.163 120.200 0.053 0.000 2.133 49 E HA 0.340 4.690 4.350 -0.000 0.000 0.274 49 E C -1.051 175.578 176.600 0.047 0.000 0.930 49 E CA -0.782 55.652 56.400 0.057 0.000 0.770 49 E CB 1.835 31.579 29.700 0.074 0.000 1.104 49 E HN 0.366 nan 8.360 nan 0.000 0.403 50 V N 4.097 124.037 119.914 0.044 0.000 2.540 50 V HA 0.027 4.147 4.120 -0.000 0.000 0.297 50 V C 0.974 177.077 176.094 0.015 0.000 1.024 50 V CA 1.007 63.334 62.300 0.046 0.000 1.105 50 V CB 0.730 32.583 31.823 0.050 0.000 0.938 50 V HN 0.873 nan 8.190 nan 0.000 0.482 51 A N 3.960 126.793 122.820 0.021 0.000 2.070 51 A HA 0.361 4.681 4.320 -0.000 0.000 0.202 51 A C 0.701 178.269 177.584 -0.027 0.000 1.277 51 A CA 0.225 52.256 52.037 -0.010 0.000 0.872 51 A CB 0.414 19.415 19.000 0.002 0.000 0.933 51 A HN 0.760 nan 8.150 nan 0.000 0.475 52 Q N -1.145 118.665 119.800 0.016 0.000 2.435 52 Q HA 0.358 4.698 4.340 -0.000 0.000 0.282 52 Q C -1.751 174.341 176.000 0.153 0.000 1.020 52 Q CA -0.546 55.264 55.803 0.012 0.000 0.820 52 Q CB 1.901 30.650 28.738 0.019 0.000 1.436 52 Q HN 0.654 nan 8.270 nan 0.000 0.395 53 H N 2.195 121.252 119.070 -0.021 0.000 2.641 53 H HA 0.245 4.801 4.556 -0.000 0.000 0.295 53 H C 0.528 175.850 175.328 -0.009 0.000 1.070 53 H CA -0.329 55.708 56.048 -0.019 0.000 1.257 53 H CB 0.844 30.586 29.762 -0.034 0.000 1.393 53 H HN 0.400 nan 8.280 nan 0.000 0.464 54 L N 2.856 124.146 121.223 0.111 0.000 2.551 54 L HA 0.105 4.445 4.340 -0.000 0.000 0.228 54 L C 1.141 178.040 176.870 0.048 0.000 1.153 54 L CA 0.442 55.321 54.840 0.065 0.000 0.851 54 L CB -0.362 41.730 42.059 0.053 0.000 0.959 54 L HN 0.883 nan 8.230 nan 0.000 0.451 55 G N 0.420 109.247 108.800 0.045 0.000 2.690 55 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 55 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 55 G C -0.031 174.874 174.900 0.008 0.000 1.277 55 G CA -0.472 44.642 45.100 0.024 0.000 0.799 55 G HN 0.390 nan 8.290 nan 0.000 0.613 56 E N 0.232 120.432 120.200 -0.000 0.000 2.320 56 E HA -0.262 4.087 4.350 -0.000 0.000 0.234 56 E C 0.782 177.349 176.600 -0.055 0.000 1.183 56 E CA 0.569 56.971 56.400 0.004 0.000 0.713 56 E CB -1.178 28.549 29.700 0.044 0.000 1.226 56 E HN 1.218 nan 8.360 nan 0.000 0.382 57 N N -1.613 117.016 118.700 -0.119 0.000 2.661 57 N HA -0.163 4.576 4.740 -0.000 0.000 0.249 57 N C -0.483 174.860 175.510 -0.279 0.000 1.142 57 N CA 2.069 54.976 53.050 -0.238 0.000 0.727 57 N CB -1.275 37.027 38.487 -0.307 0.000 1.099 57 N HN 0.409 nan 8.380 nan 0.000 0.558 58 T N -0.331 114.151 114.554 -0.120 0.000 2.902 58 T HA 0.664 5.014 4.350 -0.000 0.000 0.283 58 T C 0.538 175.251 174.700 0.023 0.000 1.009 58 T CA -0.685 61.410 62.100 -0.008 0.000 1.051 58 T CB 2.562 71.470 68.868 0.066 0.000 0.999 58 T HN 0.133 nan 8.240 nan 0.000 0.474 59 V N 0.712 120.680 119.914 0.091 0.000 2.656 59 V HA 0.737 4.857 4.120 -0.000 0.000 0.307 59 V C -0.391 175.770 176.094 0.112 0.000 1.051 59 V CA -1.377 60.991 62.300 0.114 0.000 0.893 59 V CB 1.656 33.555 31.823 0.126 0.000 0.999 59 V HN 0.835 nan 8.190 nan 0.000 0.426 60 R N 2.694 123.252 120.500 0.097 0.000 2.349 60 R HA 0.763 5.103 4.340 -0.000 0.000 0.299 60 R C 0.046 176.387 176.300 0.068 0.000 1.027 60 R CA 0.555 56.697 56.100 0.070 0.000 0.958 60 R CB 1.377 31.707 30.300 0.050 0.000 1.047 60 R HN 1.196 nan 8.270 nan 0.000 0.468 61 T N 1.779 116.368 114.554 0.058 0.000 2.883 61 T HA 0.531 4.880 4.350 -0.000 0.000 0.296 61 T C -0.164 174.558 174.700 0.036 0.000 1.117 61 T CA -1.041 61.090 62.100 0.053 0.000 1.006 61 T CB 1.033 69.943 68.868 0.069 0.000 1.191 61 T HN 0.571 nan 8.240 nan 0.000 0.508 62 I N -0.003 120.586 120.570 0.032 0.000 2.404 62 I HA 0.817 4.987 4.170 -0.000 0.000 0.293 62 I C 0.149 176.282 176.117 0.026 0.000 0.992 62 I CA -1.492 59.822 61.300 0.023 0.000 1.149 62 I CB 1.402 39.411 38.000 0.016 0.000 1.315 62 I HN 0.894 nan 8.210 nan 0.000 0.446 63 A N 7.005 129.838 122.820 0.021 0.000 2.401 63 A HA 0.446 4.766 4.320 -0.000 0.000 0.259 63 A C 0.904 178.499 177.584 0.018 0.000 1.103 63 A CA -0.539 51.510 52.037 0.021 0.000 0.789 63 A CB 0.654 19.663 19.000 0.016 0.000 1.035 63 A HN 0.888 nan 8.150 nan 0.000 0.491 64 M N 0.702 120.315 119.600 0.021 0.000 2.595 64 M HA 0.104 4.584 4.480 -0.000 0.000 0.248 64 M C -0.002 176.308 176.300 0.016 0.000 1.119 64 M CA 0.868 56.180 55.300 0.020 0.000 1.079 64 M CB -0.944 31.670 32.600 0.023 0.000 1.472 64 M HN 0.782 nan 8.290 nan 0.000 0.501 65 D N -1.144 119.265 120.400 0.014 0.000 2.664 65 D HA 0.483 5.123 4.640 -0.000 0.000 0.292 65 D C -0.572 175.733 176.300 0.009 0.000 1.214 65 D CA -0.230 53.778 54.000 0.012 0.000 0.932 65 D CB 1.354 42.161 40.800 0.012 0.000 1.420 65 D HN 0.090 nan 8.370 nan 0.000 0.471 66 G N -0.989 107.815 108.800 0.007 0.000 2.441 66 G HA2 0.355 4.315 3.960 -0.000 0.000 0.243 66 G HA3 0.355 4.315 3.960 -0.000 0.000 0.243 66 G C 0.816 175.719 174.900 0.005 0.000 1.281 66 G CA 0.527 45.630 45.100 0.005 0.000 0.854 66 G HN 0.404 nan 8.290 nan 0.000 0.560 67 T N -1.113 113.444 114.554 0.004 0.000 3.054 67 T HA 0.177 4.527 4.350 -0.000 0.000 0.255 67 T C 0.458 175.159 174.700 0.002 0.000 1.035 67 T CA -0.236 61.867 62.100 0.004 0.000 0.941 67 T CB 0.064 68.935 68.868 0.005 0.000 1.026 67 T HN 0.444 nan 8.240 nan 0.000 0.533 68 E N 1.566 121.767 120.200 0.001 0.000 2.568 68 E HA 0.386 4.736 4.350 -0.000 0.000 0.262 68 E C 1.483 178.082 176.600 -0.001 0.000 0.961 68 E CA 1.478 57.877 56.400 -0.000 0.000 0.945 68 E CB -0.475 29.225 29.700 -0.000 0.000 0.924 68 E HN 0.466 nan 8.360 nan 0.000 0.467 69 G N 1.808 110.607 108.800 -0.002 0.000 2.217 69 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.246 69 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.246 69 G C 0.185 175.082 174.900 -0.004 0.000 0.990 69 G CA -0.035 45.063 45.100 -0.003 0.000 0.627 69 G HN 0.379 nan 8.290 nan 0.000 0.522 70 L N 0.866 122.086 121.223 -0.004 0.000 2.452 70 L HA 0.499 4.839 4.340 -0.000 0.000 0.267 70 L C 0.582 177.447 176.870 -0.009 0.000 1.188 70 L CA -0.435 54.402 54.840 -0.006 0.000 0.821 70 L CB 1.219 43.275 42.059 -0.004 0.000 1.102 70 L HN 0.008 nan 8.230 nan 0.000 0.470 71 V N 2.422 122.328 119.914 -0.013 0.000 2.487 71 V HA 0.360 4.480 4.120 -0.000 0.000 0.298 71 V C 0.065 176.146 176.094 -0.022 0.000 1.028 71 V CA -0.966 61.324 62.300 -0.016 0.000 0.860 71 V CB 1.559 33.372 31.823 -0.018 0.000 0.991 71 V HN 0.665 nan 8.190 nan 0.000 0.427 72 R N 2.614 123.101 120.500 -0.023 0.000 2.537 72 R HA 0.370 4.709 4.340 -0.000 0.000 0.281 72 R C 1.346 177.623 176.300 -0.039 0.000 0.988 72 R CA 1.176 57.258 56.100 -0.030 0.000 1.077 72 R CB 0.023 30.305 30.300 -0.029 0.000 0.932 72 R HN 1.248 nan 8.270 nan 0.000 0.409 73 G N 1.800 110.570 108.800 -0.050 0.000 2.195 73 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.224 73 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.224 73 G C 0.089 174.957 174.900 -0.054 0.000 0.990 73 G CA -0.042 45.023 45.100 -0.057 0.000 0.639 73 G HN 0.617 nan 8.290 nan 0.000 0.514 74 E N 1.078 121.251 120.200 -0.046 0.000 2.392 74 E HA 0.385 4.735 4.350 -0.000 0.000 0.264 74 E C 0.742 177.311 176.600 -0.053 0.000 1.024 74 E CA -0.374 56.002 56.400 -0.039 0.000 0.903 74 E CB 0.356 30.040 29.700 -0.028 0.000 0.963 74 E HN 0.338 nan 8.360 nan 0.000 0.432 75 K N 2.466 122.840 120.400 -0.044 0.000 2.436 75 K HA 0.130 4.450 4.320 -0.000 0.000 0.275 75 K C -1.326 175.247 176.600 -0.045 0.000 0.999 75 K CA -0.202 56.055 56.287 -0.050 0.000 0.980 75 K CB 0.562 33.044 32.500 -0.030 0.000 0.919 75 K HN 0.250 nan 8.250 nan 0.000 0.484 76 V N 5.561 125.437 119.914 -0.063 0.000 2.668 76 V HA 0.274 4.394 4.120 -0.000 0.000 0.304 76 V C -1.105 175.007 176.094 0.030 0.000 1.071 76 V CA -1.041 61.243 62.300 -0.027 0.000 0.894 76 V CB 1.434 33.218 31.823 -0.064 0.000 1.008 76 V HN 0.688 nan 8.190 nan 0.000 0.425 77 L N 3.584 124.852 121.223 0.076 0.000 2.307 77 L HA 0.710 5.050 4.340 -0.000 0.000 0.284 77 L C -0.262 176.698 176.870 0.150 0.000 1.023 77 L CA 0.116 55.023 54.840 0.112 0.000 0.810 77 L CB 1.545 43.643 42.059 0.065 0.000 1.231 77 L HN 0.759 nan 8.230 nan 0.000 0.423 78 D N 1.945 122.455 120.400 0.184 0.000 2.317 78 D HA 0.112 4.752 4.640 -0.000 0.000 0.252 78 D C 1.046 177.378 176.300 0.053 0.000 1.174 78 D CA 0.428 54.489 54.000 0.102 0.000 0.866 78 D CB 1.417 42.231 40.800 0.023 0.000 1.127 78 D HN 0.719 nan 8.370 nan 0.000 0.467 79 T N 0.994 115.571 114.554 0.038 0.000 3.148 79 T HA 0.197 4.547 4.350 -0.000 0.000 0.253 79 T C 1.579 176.285 174.700 0.011 0.000 1.134 79 T CA 0.458 62.573 62.100 0.024 0.000 1.051 79 T CB -0.367 68.515 68.868 0.023 0.000 0.959 79 T HN 0.725 nan 8.240 nan 0.000 0.525 80 G N -0.082 108.718 108.800 -0.000 0.000 2.168 80 G HA2 0.056 4.016 3.960 -0.000 0.000 0.263 80 G HA3 0.056 4.016 3.960 -0.000 0.000 0.263 80 G C 0.393 175.288 174.900 -0.008 0.000 0.977 80 G CA -0.112 44.981 45.100 -0.012 0.000 0.659 80 G HN 1.312 nan 8.290 nan 0.000 0.533 81 G N -1.409 107.392 108.800 0.001 0.000 2.687 81 G HA2 0.764 4.724 3.960 -0.000 0.000 0.291 81 G HA3 0.764 4.724 3.960 -0.000 0.000 0.291 81 G C -3.213 171.700 174.900 0.022 0.000 1.420 81 G CA -0.520 44.584 45.100 0.008 0.000 0.796 81 G HN 0.156 nan 8.290 nan 0.000 0.485 82 P HA 0.289 nan 4.420 nan 0.000 0.273 82 P C 0.293 177.632 177.300 0.065 0.000 1.250 82 P CA -0.439 62.711 63.100 0.083 0.000 0.793 82 P CB 0.639 32.424 31.700 0.142 0.000 1.011 83 I N 0.404 121.020 120.570 0.076 0.000 2.845 83 I HA -0.044 4.126 4.170 -0.000 0.000 0.296 83 I C 0.849 176.970 176.117 0.007 0.000 1.216 83 I CA 1.269 62.589 61.300 0.033 0.000 1.438 83 I CB -0.056 37.957 38.000 0.023 0.000 1.342 83 I HN 0.381 nan 8.210 nan 0.000 0.577 84 S N 5.894 121.589 115.700 -0.009 0.000 2.548 84 S HA 0.808 5.278 4.470 -0.000 0.000 0.286 84 S C -0.714 173.860 174.600 -0.043 0.000 1.098 84 S CA -0.855 57.329 58.200 -0.027 0.000 0.930 84 S CB 1.921 65.107 63.200 -0.023 0.000 1.070 84 S HN 0.424 nan 8.310 nan 0.000 0.480 85 V N -0.581 119.295 119.914 -0.063 0.000 2.715 85 V HA 0.764 4.884 4.120 -0.000 0.000 0.310 85 V C -2.658 173.369 176.094 -0.111 0.000 1.054 85 V CA -2.790 59.462 62.300 -0.078 0.000 0.928 85 V CB 1.186 32.959 31.823 -0.083 0.000 1.007 85 V HN 0.841 nan 8.190 nan 0.000 0.437 86 P HA 0.322 nan 4.420 nan 0.000 0.272 86 P C -0.639 176.528 177.300 -0.221 0.000 1.223 86 P CA 0.086 63.094 63.100 -0.154 0.000 0.784 86 P CB 1.432 33.063 31.700 -0.115 0.000 0.923 87 V N -2.156 117.549 119.914 -0.349 0.000 3.007 87 V HA 0.967 5.087 4.120 -0.000 0.000 0.311 87 V C 0.045 175.777 176.094 -0.603 0.000 1.120 87 V CA -0.132 61.842 62.300 -0.543 0.000 0.980 87 V CB 1.181 32.523 31.823 -0.801 0.000 1.033 87 V HN 1.054 nan 8.190 nan 0.000 0.429 88 G N 2.285 110.778 108.800 -0.512 0.000 2.422 88 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.607 88 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.607 88 G C 0.264 175.307 174.900 0.238 0.000 1.270 88 G CA 0.480 45.540 45.100 -0.067 0.000 0.992 88 G HN 1.397 nan 8.290 nan 0.000 0.499 89 R N 0.216 120.917 120.500 0.335 0.000 2.117 89 R HA -0.105 4.235 4.340 -0.000 0.000 0.243 89 R C 1.790 178.130 176.300 0.066 0.000 1.143 89 R CA 2.355 58.582 56.100 0.210 0.000 0.968 89 R CB -0.268 30.131 30.300 0.166 0.000 0.863 89 R HN 0.513 nan 8.270 nan 0.000 0.444 90 E N 0.102 120.325 120.200 0.039 0.000 2.516 90 E HA -0.080 4.270 4.350 -0.000 0.000 0.199 90 E C 1.646 178.235 176.600 -0.018 0.000 1.069 90 E CA 1.313 57.711 56.400 -0.003 0.000 0.876 90 E CB 0.188 29.880 29.700 -0.013 0.000 0.843 90 E HN 0.623 nan 8.360 nan 0.000 0.530 91 T N -1.683 112.870 114.554 -0.001 0.000 3.009 91 T HA 0.054 4.404 4.350 -0.000 0.000 0.258 91 T C 1.256 175.952 174.700 -0.008 0.000 1.063 91 T CA -0.149 61.947 62.100 -0.007 0.000 1.139 91 T CB -0.230 68.638 68.868 0.001 0.000 0.890 91 T HN -0.013 nan 8.240 nan 0.000 0.471 92 L N 2.124 123.334 121.223 -0.021 0.000 2.559 92 L HA 0.329 4.669 4.340 -0.000 0.000 0.282 92 L C 1.835 178.658 176.870 -0.079 0.000 1.232 92 L CA 1.093 55.867 54.840 -0.111 0.000 0.885 92 L CB -0.163 41.701 42.059 -0.325 0.000 1.131 92 L HN 0.642 nan 8.230 nan 0.000 0.498 93 G N 1.646 110.414 108.800 -0.054 0.000 2.234 93 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 93 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 93 G C 0.493 175.403 174.900 0.016 0.000 0.987 93 G CA -0.221 44.876 45.100 -0.004 0.000 0.625 93 G HN 0.485 nan 8.290 nan 0.000 0.532 94 R N -0.004 120.473 120.500 -0.039 0.000 2.553 94 R HA 0.747 5.087 4.340 -0.000 0.000 0.263 94 R C 0.458 176.647 176.300 -0.185 0.000 1.066 94 R CA -0.829 55.219 56.100 -0.085 0.000 1.135 94 R CB 0.412 30.667 30.300 -0.075 0.000 1.148 94 R HN 0.344 nan 8.270 nan 0.000 0.558 95 I N 2.124 122.541 120.570 -0.255 0.000 2.389 95 I HA 0.424 4.593 4.170 -0.000 0.000 0.288 95 I C -0.169 175.819 176.117 -0.216 0.000 0.999 95 I CA -0.533 60.555 61.300 -0.354 0.000 1.129 95 I CB 1.195 38.908 38.000 -0.477 0.000 1.288 95 I HN 0.253 nan 8.210 nan 0.000 0.444 96 I N 5.643 126.098 120.570 -0.191 0.000 2.646 96 I HA 0.373 4.543 4.170 -0.000 0.000 0.299 96 I C -0.283 175.801 176.117 -0.054 0.000 1.036 96 I CA -0.629 60.611 61.300 -0.100 0.000 1.074 96 I CB 1.982 39.933 38.000 -0.082 0.000 1.258 96 I HN 0.617 nan 8.210 nan 0.000 0.430 97 N N 3.644 122.335 118.700 -0.015 0.000 2.604 97 N HA 0.230 4.970 4.740 -0.000 0.000 0.297 97 N C 0.597 176.116 175.510 0.014 0.000 1.266 97 N CA -0.847 52.218 53.050 0.025 0.000 0.961 97 N CB 0.339 38.847 38.487 0.034 0.000 1.166 97 N HN 0.351 nan 8.380 nan 0.000 0.601 98 V N -0.235 119.695 119.914 0.026 0.000 2.392 98 V HA -0.169 3.951 4.120 -0.000 0.000 0.249 98 V C 1.612 177.705 176.094 -0.003 0.000 1.059 98 V CA 1.958 64.266 62.300 0.013 0.000 1.051 98 V CB -0.843 30.993 31.823 0.022 0.000 0.658 98 V HN 0.669 nan 8.190 nan 0.000 0.455 99 I N -1.757 118.813 120.570 0.000 0.000 3.749 99 I HA 0.450 4.620 4.170 -0.000 0.000 0.314 99 I C 1.321 177.429 176.117 -0.015 0.000 1.267 99 I CA 0.664 61.962 61.300 -0.005 0.000 1.169 99 I CB -0.648 37.354 38.000 0.004 0.000 1.009 99 I HN 0.352 nan 8.210 nan 0.000 0.444 100 G N 0.985 109.772 108.800 -0.022 0.000 2.147 100 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 100 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 100 G C -0.149 174.730 174.900 -0.035 0.000 1.005 100 G CA -0.127 44.952 45.100 -0.035 0.000 0.713 100 G HN 0.480 nan 8.290 nan 0.000 0.515 101 E N 0.793 120.978 120.200 -0.026 0.000 2.231 101 E HA 0.450 4.800 4.350 -0.000 0.000 0.277 101 E C -2.199 174.380 176.600 -0.035 0.000 0.999 101 E CA -2.019 54.366 56.400 -0.026 0.000 0.827 101 E CB 1.688 31.379 29.700 -0.015 0.000 1.101 101 E HN 0.220 nan 8.360 nan 0.000 0.393 102 P HA 0.219 nan 4.420 nan 0.000 0.280 102 P C 0.336 177.608 177.300 -0.046 0.000 1.244 102 P CA -0.027 63.041 63.100 -0.053 0.000 0.784 102 P CB 0.425 32.096 31.700 -0.048 0.000 0.913 103 I N -0.431 120.100 120.570 -0.065 0.000 3.658 103 I HA 0.295 4.465 4.170 -0.000 0.000 0.328 103 I C -0.163 175.906 176.117 -0.080 0.000 1.567 103 I CA -0.365 60.906 61.300 -0.048 0.000 1.078 103 I CB 0.124 38.114 38.000 -0.017 0.000 1.267 103 I HN 0.018 nan 8.210 nan 0.000 0.495 104 D N 0.159 120.497 120.400 -0.103 0.000 2.431 104 D HA 0.054 4.693 4.640 -0.000 0.000 0.213 104 D C 0.473 176.747 176.300 -0.043 0.000 1.130 104 D CA -0.182 53.740 54.000 -0.129 0.000 0.834 104 D CB -0.007 40.661 40.800 -0.220 0.000 0.985 104 D HN 0.479 nan 8.370 nan 0.000 0.504 105 E N -0.168 120.016 120.200 -0.026 0.000 2.883 105 E HA -0.256 4.094 4.350 -0.000 0.000 0.271 105 E C 0.376 176.978 176.600 0.003 0.000 1.049 105 E CA 0.418 56.816 56.400 -0.004 0.000 0.817 105 E CB -0.998 28.708 29.700 0.009 0.000 1.407 105 E HN 0.421 nan 8.360 nan 0.000 0.434 106 R N -0.012 120.486 120.500 -0.004 0.000 2.468 106 R HA 0.301 4.641 4.340 -0.000 0.000 0.280 106 R C 0.872 177.170 176.300 -0.003 0.000 0.963 106 R CA 0.396 56.499 56.100 0.005 0.000 1.083 106 R CB 1.213 31.521 30.300 0.013 0.000 1.200 106 R HN 0.248 nan 8.270 nan 0.000 0.541 107 G N 2.545 111.339 108.800 -0.009 0.000 2.661 107 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.685 107 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.685 107 G C -2.682 172.208 174.900 -0.016 0.000 1.298 107 G CA -1.288 43.806 45.100 -0.010 0.000 0.855 107 G HN -0.022 nan 8.290 nan 0.000 0.560 108 P HA 0.210 nan 4.420 nan 0.000 0.261 108 P C 0.378 177.664 177.300 -0.023 0.000 1.183 108 P CA 0.228 63.316 63.100 -0.019 0.000 0.761 108 P CB 0.179 31.869 31.700 -0.016 0.000 0.785 109 I N 3.977 124.528 120.570 -0.031 0.000 2.453 109 I HA -0.006 4.163 4.170 -0.000 0.000 0.300 109 I C 1.199 177.295 176.117 -0.036 0.000 1.159 109 I CA 0.242 61.520 61.300 -0.036 0.000 1.379 109 I CB -0.554 37.417 38.000 -0.048 0.000 1.460 109 I HN 0.076 nan 8.210 nan 0.000 0.601 110 K N 4.029 124.412 120.400 -0.028 0.000 2.686 110 K HA 0.050 4.370 4.320 -0.000 0.000 0.244 110 K C 1.191 177.773 176.600 -0.030 0.000 1.262 110 K CA -0.117 56.156 56.287 -0.025 0.000 1.199 110 K CB 0.143 32.634 32.500 -0.015 0.000 1.428 110 K HN 0.506 nan 8.250 nan 0.000 0.247 111 S N 1.570 117.241 115.700 -0.047 0.000 2.371 111 S HA -0.062 4.408 4.470 -0.000 0.000 0.221 111 S C 0.595 175.154 174.600 -0.067 0.000 1.036 111 S CA 0.804 58.963 58.200 -0.068 0.000 0.965 111 S CB 0.160 63.297 63.200 -0.106 0.000 0.845 111 S HN 0.545 nan 8.310 nan 0.000 0.475 112 K N -0.658 119.705 120.400 -0.062 0.000 3.548 112 K HA -0.110 4.210 4.320 -0.000 0.000 0.296 112 K C -0.485 176.076 176.600 -0.065 0.000 1.324 112 K CA 0.579 56.837 56.287 -0.048 0.000 0.976 112 K CB -1.810 30.674 32.500 -0.026 0.000 1.294 112 K HN 0.424 nan 8.250 nan 0.000 0.464 113 L N 0.827 121.980 121.223 -0.117 0.000 2.410 113 L HA 0.468 4.808 4.340 -0.000 0.000 0.270 113 L C -0.678 176.087 176.870 -0.176 0.000 0.983 113 L CA -0.459 54.297 54.840 -0.140 0.000 0.822 113 L CB 1.949 43.905 42.059 -0.172 0.000 1.285 113 L HN 0.064 nan 8.230 nan 0.000 0.409 114 R N 3.711 124.138 120.500 -0.121 0.000 2.599 114 R HA 0.533 4.873 4.340 -0.000 0.000 0.295 114 R C -1.003 175.244 176.300 -0.089 0.000 0.963 114 R CA -0.921 55.112 56.100 -0.112 0.000 0.883 114 R CB 2.462 32.718 30.300 -0.073 0.000 1.171 114 R HN 0.430 nan 8.270 nan 0.000 0.450 115 K N 3.285 123.630 120.400 -0.093 0.000 2.316 115 K HA 0.433 4.753 4.320 -0.000 0.000 0.251 115 K C -2.575 174.003 176.600 -0.037 0.000 0.934 115 K CA -2.176 54.078 56.287 -0.054 0.000 0.802 115 K CB 2.284 34.754 32.500 -0.050 0.000 1.171 115 K HN 0.352 nan 8.250 nan 0.000 0.426 116 P HA 0.135 nan 4.420 nan 0.000 0.271 116 P C 0.869 178.162 177.300 -0.011 0.000 1.218 116 P CA -0.231 62.872 63.100 0.004 0.000 0.780 116 P CB 0.412 32.132 31.700 0.033 0.000 0.901 117 I N -1.312 119.233 120.570 -0.043 0.000 3.251 117 I HA 0.098 4.268 4.170 -0.000 0.000 0.277 117 I C 0.388 176.396 176.117 -0.183 0.000 1.268 117 I CA 0.581 61.805 61.300 -0.127 0.000 1.449 117 I CB -0.494 37.396 38.000 -0.182 0.000 1.083 117 I HN 0.202 nan 8.210 nan 0.000 0.464 118 H N 2.540 121.611 119.070 0.001 0.000 2.467 118 H HA 0.814 5.369 4.556 -0.000 0.000 0.326 118 H C -0.577 174.752 175.328 0.000 0.000 1.094 118 H CA -0.191 55.859 56.048 0.004 0.000 1.253 118 H CB 1.786 31.550 29.762 0.003 0.000 1.439 118 H HN 0.413 nan 8.280 nan 0.000 0.479 119 A N 3.270 126.163 122.820 0.121 0.000 2.594 119 A HA 0.229 4.549 4.320 -0.000 0.000 0.296 119 A C -1.165 176.449 177.584 0.050 0.000 1.056 119 A CA -0.960 51.117 52.037 0.067 0.000 0.693 119 A CB 1.203 20.227 19.000 0.040 0.000 1.278 119 A HN 0.533 nan 8.150 nan 0.000 0.408 120 D N 2.500 122.922 120.400 0.037 0.000 2.455 120 D HA 0.432 5.072 4.640 -0.000 0.000 0.241 120 D C -2.017 174.299 176.300 0.027 0.000 1.138 120 D CA -0.070 53.949 54.000 0.031 0.000 0.877 120 D CB 0.460 41.275 40.800 0.025 0.000 1.187 120 D HN 0.277 nan 8.370 nan 0.000 0.451 121 P HA 0.179 nan 4.420 nan 0.000 0.271 121 P C -2.516 174.798 177.300 0.022 0.000 1.233 121 P CA -1.014 62.099 63.100 0.022 0.000 0.789 121 P CB -0.377 31.341 31.700 0.029 0.000 0.951 122 P HA 0.013 nan 4.420 nan 0.000 0.263 122 P C 0.042 177.358 177.300 0.027 0.000 1.195 122 P CA 0.127 63.233 63.100 0.010 0.000 0.762 122 P CB -0.058 31.637 31.700 -0.008 0.000 0.799 123 S N 3.340 119.062 115.700 0.037 0.000 2.558 123 S HA -0.090 4.380 4.470 -0.000 0.000 0.287 123 S C 1.070 175.727 174.600 0.096 0.000 1.321 123 S CA -0.374 57.871 58.200 0.075 0.000 1.048 123 S CB -0.171 63.072 63.200 0.070 0.000 0.844 123 S HN 0.439 nan 8.310 nan 0.000 0.512 124 F N 2.978 122.929 119.950 0.001 0.000 2.115 124 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 124 F C 2.345 178.144 175.800 -0.002 0.000 1.092 124 F CA 2.102 60.101 58.000 -0.000 0.000 1.245 124 F CB -0.980 38.019 39.000 -0.000 0.000 0.995 124 F HN 0.782 nan 8.300 nan 0.000 0.481 125 A N -0.255 122.648 122.820 0.139 0.000 2.019 125 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 125 A C 1.907 179.444 177.584 -0.079 0.000 1.164 125 A CA 1.766 53.821 52.037 0.030 0.000 0.644 125 A CB -0.747 18.317 19.000 0.107 0.000 0.805 125 A HN 0.626 nan 8.150 nan 0.000 0.449 126 E N -0.096 120.066 120.200 -0.064 0.000 2.465 126 E HA 0.043 4.393 4.350 -0.000 0.000 0.191 126 E C -0.045 176.492 176.600 -0.105 0.000 1.053 126 E CA -0.251 56.108 56.400 -0.068 0.000 0.869 126 E CB 0.193 29.874 29.700 -0.031 0.000 0.977 126 E HN 0.523 nan 8.360 nan 0.000 0.483 127 Q N 0.778 120.468 119.800 -0.183 0.000 2.299 127 Q HA 0.162 4.502 4.340 -0.000 0.000 0.246 127 Q C -0.066 175.822 176.000 -0.187 0.000 0.935 127 Q CA -0.067 55.620 55.803 -0.194 0.000 0.887 127 Q CB 1.756 30.326 28.738 -0.281 0.000 1.223 127 Q HN 0.016 nan 8.270 nan 0.000 0.439 128 S N 0.339 115.961 115.700 -0.130 0.000 2.562 128 S HA 0.084 4.554 4.470 -0.000 0.000 0.281 128 S C 0.927 175.454 174.600 -0.123 0.000 1.333 128 S CA 0.054 58.190 58.200 -0.107 0.000 1.052 128 S CB 0.363 63.518 63.200 -0.075 0.000 0.884 128 S HN 0.671 nan 8.310 nan 0.000 0.506 129 T N 0.776 115.267 114.554 -0.105 0.000 3.069 129 T HA 0.326 4.676 4.350 -0.000 0.000 0.252 129 T C 0.397 175.062 174.700 -0.058 0.000 1.053 129 T CA -0.372 61.672 62.100 -0.093 0.000 0.964 129 T CB 0.139 68.956 68.868 -0.084 0.000 1.005 129 T HN 0.277 nan 8.240 nan 0.000 0.532 130 S N 0.869 116.537 115.700 -0.052 0.000 2.500 130 S HA 0.765 5.235 4.470 -0.000 0.000 0.301 130 S C -0.277 174.301 174.600 -0.037 0.000 1.092 130 S CA -0.764 57.412 58.200 -0.039 0.000 1.030 130 S CB 1.359 64.539 63.200 -0.034 0.000 1.031 130 S HN 0.672 nan 8.310 nan 0.000 0.483 131 A N 3.291 126.092 122.820 -0.032 0.000 2.354 131 A HA 0.691 5.011 4.320 -0.000 0.000 0.269 131 A C -0.170 177.398 177.584 -0.027 0.000 1.109 131 A CA -0.344 51.675 52.037 -0.029 0.000 0.800 131 A CB 0.224 19.208 19.000 -0.027 0.000 1.045 131 A HN 0.836 nan 8.150 nan 0.000 0.489 132 E N 1.757 121.943 120.200 -0.024 0.000 2.392 132 E HA 0.492 4.841 4.350 -0.000 0.000 0.279 132 E C -1.393 175.200 176.600 -0.011 0.000 0.964 132 E CA -1.017 55.371 56.400 -0.019 0.000 0.777 132 E CB 0.874 30.563 29.700 -0.018 0.000 1.249 132 E HN 0.321 nan 8.360 nan 0.000 0.449 133 I N 1.652 122.219 120.570 -0.004 0.000 2.519 133 I HA 0.164 4.334 4.170 -0.000 0.000 0.287 133 I C -0.078 176.044 176.117 0.009 0.000 1.047 133 I CA -0.675 60.632 61.300 0.011 0.000 1.381 133 I CB 0.624 38.630 38.000 0.010 0.000 1.417 133 I HN 0.536 nan 8.210 nan 0.000 0.540 134 L N 6.199 127.433 121.223 0.020 0.000 2.262 134 L HA 0.297 4.637 4.340 -0.000 0.000 0.288 134 L C 0.415 177.283 176.870 -0.003 0.000 1.035 134 L CA -0.139 54.677 54.840 -0.039 0.000 0.820 134 L CB 0.510 42.538 42.059 -0.052 0.000 1.204 134 L HN 0.564 nan 8.230 nan 0.000 0.424 135 E N 1.901 122.132 120.200 0.052 0.000 2.366 135 E HA 0.017 4.367 4.350 -0.000 0.000 0.266 135 E C 0.486 177.153 176.600 0.111 0.000 1.015 135 E CA 0.602 57.072 56.400 0.117 0.000 0.906 135 E CB 0.820 30.645 29.700 0.208 0.000 0.979 135 E HN 0.815 nan 8.360 nan 0.000 0.443 136 T N 0.872 115.418 114.554 -0.015 0.000 3.046 136 T HA 0.268 4.618 4.350 -0.000 0.000 0.242 136 T C 1.385 176.049 174.700 -0.060 0.000 1.018 136 T CA 0.543 62.590 62.100 -0.089 0.000 1.131 136 T CB 0.315 69.016 68.868 -0.279 0.000 0.904 136 T HN 0.695 nan 8.240 nan 0.000 0.459 137 G N 1.379 110.156 108.800 -0.039 0.000 2.179 137 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.220 137 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.220 137 G C -0.074 174.823 174.900 -0.005 0.000 0.990 137 G CA -0.101 44.983 45.100 -0.027 0.000 0.646 137 G HN 0.639 nan 8.290 nan 0.000 0.517 138 I N 1.454 122.013 120.570 -0.019 0.000 2.328 138 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 138 I C 1.454 177.592 176.117 0.035 0.000 1.012 138 I CA -0.772 60.578 61.300 0.082 0.000 1.195 138 I CB 1.461 39.538 38.000 0.129 0.000 1.350 138 I HN -0.008 nan 8.210 nan 0.000 0.464 139 K N 3.631 124.051 120.400 0.034 0.000 2.020 139 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 139 K C 1.801 178.341 176.600 -0.100 0.000 1.050 139 K CA 1.610 57.869 56.287 -0.046 0.000 0.929 139 K CB -0.253 32.218 32.500 -0.047 0.000 0.714 139 K HN 0.545 nan 8.250 nan 0.000 0.443 140 V N 1.061 120.950 119.914 -0.042 0.000 2.231 140 V HA -0.282 3.838 4.120 -0.000 0.000 0.250 140 V C 2.366 178.432 176.094 -0.047 0.000 1.058 140 V CA 1.956 64.222 62.300 -0.057 0.000 1.022 140 V CB -0.957 30.878 31.823 0.020 0.000 0.640 140 V HN 0.077 nan 8.190 nan 0.000 0.445 141 V N 0.449 120.363 119.914 0.001 0.000 2.237 141 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 141 V C 2.408 178.468 176.094 -0.056 0.000 1.046 141 V CA 2.429 64.710 62.300 -0.031 0.000 1.007 141 V CB -0.858 30.882 31.823 -0.138 0.000 0.638 141 V HN 0.508 nan 8.190 nan 0.000 0.445 142 D N -0.393 119.965 120.400 -0.069 0.000 2.182 142 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 142 D C 1.824 178.158 176.300 0.056 0.000 0.986 142 D CA 1.125 55.118 54.000 -0.012 0.000 0.847 142 D CB -0.076 40.713 40.800 -0.018 0.000 0.942 142 D HN 0.369 nan 8.370 nan 0.000 0.467 143 L N -0.705 120.476 121.223 -0.070 0.000 2.221 143 L HA 0.128 4.468 4.340 -0.000 0.000 0.202 143 L C 1.726 178.588 176.870 -0.014 0.000 1.074 143 L CA 1.182 55.930 54.840 -0.154 0.000 0.795 143 L CB 0.101 41.873 42.059 -0.479 0.000 0.960 143 L HN -0.047 nan 8.230 nan 0.000 0.458 144 L N -1.207 119.987 121.223 -0.048 0.000 2.577 144 L HA 0.436 4.776 4.340 -0.000 0.000 0.225 144 L C 0.716 177.594 176.870 0.013 0.000 1.053 144 L CA 0.446 55.264 54.840 -0.037 0.000 0.866 144 L CB 0.051 42.057 42.059 -0.087 0.000 1.132 144 L HN 0.113 nan 8.230 nan 0.000 0.486 145 A N 1.172 124.015 122.820 0.039 0.000 3.216 145 A HA 0.506 4.825 4.320 -0.000 0.000 0.321 145 A C -2.625 175.044 177.584 0.141 0.000 1.042 145 A CA -1.079 51.008 52.037 0.084 0.000 0.838 145 A CB -0.232 18.826 19.000 0.096 0.000 1.136 145 A HN -0.144 nan 8.150 nan 0.000 0.483 146 P HA 0.149 nan 4.420 nan 0.000 0.272 146 P C -0.818 176.648 177.300 0.277 0.000 1.230 146 P CA 0.205 63.378 63.100 0.121 0.000 0.788 146 P CB 0.623 32.353 31.700 0.050 0.000 0.949 147 Y N 0.028 120.339 120.300 0.019 0.000 2.301 147 Y HA 0.404 4.953 4.550 -0.000 0.000 0.328 147 Y C 0.996 176.882 175.900 -0.023 0.000 1.242 147 Y CA -1.485 56.616 58.100 0.003 0.000 1.323 147 Y CB 0.251 38.708 38.460 -0.004 0.000 1.266 147 Y HN 0.367 nan 8.280 nan 0.000 0.527 148 A N 4.005 126.878 122.820 0.088 0.000 2.260 148 A HA 0.451 4.771 4.320 -0.000 0.000 0.314 148 A C 0.249 177.827 177.584 -0.010 0.000 1.257 148 A CA -0.919 51.129 52.037 0.019 0.000 0.871 148 A CB 0.120 19.113 19.000 -0.011 0.000 1.166 148 A HN 0.814 nan 8.150 nan 0.000 0.522 149 R N 2.515 123.004 120.500 -0.017 0.000 2.480 149 R HA 0.300 4.640 4.340 -0.000 0.000 0.303 149 R C 1.092 177.362 176.300 -0.050 0.000 0.985 149 R CA 1.418 57.490 56.100 -0.045 0.000 1.051 149 R CB -0.193 30.079 30.300 -0.048 0.000 0.935 149 R HN 1.776 nan 8.270 nan 0.000 0.410 150 G N 2.687 111.449 108.800 -0.063 0.000 2.179 150 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.257 150 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.257 150 G C 0.183 175.048 174.900 -0.057 0.000 1.010 150 G CA 0.144 45.209 45.100 -0.060 0.000 0.736 150 G HN 0.963 nan 8.290 nan 0.000 0.513 151 G N -1.193 107.566 108.800 -0.068 0.000 2.820 151 G HA2 0.728 4.688 3.960 -0.000 0.000 0.291 151 G HA3 0.728 4.688 3.960 -0.000 0.000 0.291 151 G C -0.677 174.161 174.900 -0.102 0.000 1.323 151 G CA -0.858 44.203 45.100 -0.066 0.000 1.055 151 G HN 0.328 nan 8.290 nan 0.000 0.520 152 K N -0.616 119.729 120.400 -0.091 0.000 2.345 152 K HA 0.595 4.915 4.320 -0.000 0.000 0.255 152 K C -1.105 175.410 176.600 -0.142 0.000 0.934 152 K CA -0.258 55.962 56.287 -0.111 0.000 0.801 152 K CB 2.170 34.643 32.500 -0.045 0.000 1.137 152 K HN 0.241 nan 8.250 nan 0.000 0.424 153 I N 1.538 121.976 120.570 -0.220 0.000 2.389 153 I HA 0.343 4.512 4.170 -0.000 0.000 0.288 153 I C 0.497 176.552 176.117 -0.104 0.000 0.999 153 I CA -0.434 60.718 61.300 -0.248 0.000 1.129 153 I CB 2.081 39.693 38.000 -0.646 0.000 1.288 153 I HN 0.642 nan 8.210 nan 0.000 0.444 154 G N 6.365 115.162 108.800 -0.005 0.000 2.351 154 G HA2 0.448 4.408 3.960 -0.000 0.000 0.287 154 G HA3 0.448 4.408 3.960 -0.000 0.000 0.287 154 G C -0.778 174.121 174.900 -0.000 0.000 1.159 154 G CA -0.306 44.791 45.100 -0.005 0.000 0.929 154 G HN 0.464 nan 8.290 nan 0.000 0.435 155 L N 3.515 124.665 121.223 -0.122 0.000 2.265 155 L HA 0.714 5.054 4.340 -0.000 0.000 0.288 155 L C -1.080 175.658 176.870 -0.219 0.000 1.058 155 L CA -0.720 54.116 54.840 -0.008 0.000 0.809 155 L CB 0.292 42.421 42.059 0.116 0.000 1.179 155 L HN 0.353 nan 8.230 nan 0.000 0.429 156 F N 2.992 122.968 119.950 0.043 0.000 2.556 156 F HA 0.815 5.342 4.527 -0.000 0.000 0.327 156 F C 0.784 176.593 175.800 0.015 0.000 1.059 156 F CA -0.300 57.718 58.000 0.030 0.000 0.953 156 F CB 2.098 41.096 39.000 -0.005 0.000 1.227 156 F HN 0.650 nan 8.300 nan 0.000 0.478 157 G N 1.009 109.936 108.800 0.212 0.000 3.445 157 G HA2 0.204 4.164 3.960 -0.000 0.000 0.686 157 G HA3 0.204 4.164 3.960 -0.000 0.000 0.686 157 G C 0.392 175.354 174.900 0.103 0.000 1.113 157 G CA -0.532 44.641 45.100 0.122 0.000 0.974 157 G HN 1.154 nan 8.290 nan 0.000 0.492 158 G N 1.300 110.160 108.800 0.101 0.000 2.705 158 G HA2 0.557 4.517 3.960 -0.000 0.000 0.214 158 G HA3 0.557 4.517 3.960 -0.000 0.000 0.214 158 G C 0.962 175.920 174.900 0.097 0.000 1.321 158 G CA 2.534 47.699 45.100 0.108 0.000 0.826 158 G HN 2.302 nan 8.290 nan 0.000 0.595 159 A N -3.446 119.424 122.820 0.082 0.000 2.583 159 A HA 0.672 4.992 4.320 -0.000 0.000 0.289 159 A C 0.767 178.391 177.584 0.066 0.000 1.151 159 A CA 0.387 52.470 52.037 0.076 0.000 0.695 159 A CB 0.472 19.514 19.000 0.069 0.000 1.290 159 A HN 2.206 nan 8.150 nan 0.000 0.419 160 G N -1.390 107.450 108.800 0.067 0.000 2.314 160 G HA2 0.053 4.013 3.960 -0.000 0.000 0.292 160 G HA3 0.053 4.013 3.960 -0.000 0.000 0.292 160 G C 0.495 175.442 174.900 0.079 0.000 1.059 160 G CA 1.138 46.279 45.100 0.067 0.000 0.982 160 G HN 2.117 nan 8.290 nan 0.000 0.505 161 V N -4.960 115.012 119.914 0.097 0.000 3.177 161 V HA 0.803 4.923 4.120 -0.000 0.000 0.219 161 V C 1.751 177.950 176.094 0.175 0.000 1.344 161 V CA 1.204 63.556 62.300 0.085 0.000 1.324 161 V CB 0.304 32.148 31.823 0.036 0.000 1.165 161 V HN 1.905 nan 8.190 nan 0.000 0.510 162 G N 0.155 109.071 108.800 0.193 0.000 3.732 162 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.220 162 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.220 162 G C 0.791 175.856 174.900 0.275 0.000 0.903 162 G CA 0.415 45.684 45.100 0.283 0.000 0.896 162 G HN 0.376 nan 8.290 nan 0.000 0.685 163 K N 0.714 121.236 120.400 0.204 0.000 2.071 163 K HA -0.253 4.067 4.320 -0.000 0.000 0.217 163 K C 2.646 179.405 176.600 0.266 0.000 1.054 163 K CA 2.904 59.329 56.287 0.231 0.000 0.937 163 K CB -0.258 32.344 32.500 0.170 0.000 0.719 163 K HN 0.449 nan 8.250 nan 0.000 0.454 164 T N -1.987 112.675 114.554 0.179 0.000 3.055 164 T HA 0.007 4.357 4.350 -0.000 0.000 0.265 164 T C 1.763 176.528 174.700 0.108 0.000 1.111 164 T CA 0.943 63.107 62.100 0.106 0.000 1.118 164 T CB 0.103 68.996 68.868 0.043 0.000 0.909 164 T HN 0.052 nan 8.240 nan 0.000 0.501 165 V N 0.402 120.431 119.914 0.192 0.000 2.407 165 V HA 0.098 4.218 4.120 -0.000 0.000 0.245 165 V C 2.077 178.331 176.094 0.266 0.000 1.041 165 V CA 1.332 63.766 62.300 0.224 0.000 1.040 165 V CB -0.947 31.039 31.823 0.272 0.000 0.671 165 V HN 0.506 nan 8.190 nan 0.000 0.455 166 F N 0.993 121.080 119.950 0.228 0.000 2.065 166 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 166 F C 2.120 177.960 175.800 0.065 0.000 1.112 166 F CA 1.926 60.060 58.000 0.223 0.000 1.212 166 F CB -0.308 38.861 39.000 0.282 0.000 0.975 166 F HN 0.047 nan 8.300 nan 0.000 0.476 167 I N 0.097 120.730 120.570 0.105 0.000 2.163 167 I HA -0.378 3.792 4.170 -0.000 0.000 0.243 167 I C 2.480 178.451 176.117 -0.243 0.000 1.085 167 I CA 1.779 62.991 61.300 -0.147 0.000 1.347 167 I CB -0.648 37.186 38.000 -0.277 0.000 1.044 167 I HN 0.282 nan 8.210 nan 0.000 0.408 168 Q N 0.016 119.721 119.800 -0.158 0.000 2.096 168 Q HA -0.296 4.044 4.340 -0.000 0.000 0.204 168 Q C 2.119 178.028 176.000 -0.151 0.000 0.982 168 Q CA 1.875 57.602 55.803 -0.126 0.000 0.850 168 Q CB -0.150 28.555 28.738 -0.054 0.000 0.901 168 Q HN 0.363 nan 8.270 nan 0.000 0.422 169 E N 0.840 120.884 120.200 -0.260 0.000 2.110 169 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 169 E C 1.719 178.085 176.600 -0.390 0.000 0.988 169 E CA 0.906 57.037 56.400 -0.448 0.000 0.804 169 E CB -0.158 28.901 29.700 -1.069 0.000 0.745 169 E HN 0.305 nan 8.360 nan 0.000 0.458 170 L N -0.030 120.973 121.223 -0.366 0.000 2.131 170 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 170 L C 2.400 179.276 176.870 0.009 0.000 1.092 170 L CA 0.848 55.584 54.840 -0.173 0.000 0.759 170 L CB -0.315 41.737 42.059 -0.011 0.000 0.903 170 L HN 0.229 nan 8.230 nan 0.000 0.435 171 I N -0.089 120.507 120.570 0.043 0.000 2.252 171 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 171 I C 2.288 178.433 176.117 0.048 0.000 1.102 171 I CA 1.360 62.728 61.300 0.113 0.000 1.385 171 I CB -0.180 37.873 38.000 0.089 0.000 1.064 171 I HN 0.341 nan 8.210 nan 0.000 0.414 172 N N 0.995 119.682 118.700 -0.021 0.000 2.135 172 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 172 N C 1.593 177.084 175.510 -0.031 0.000 1.027 172 N CA 1.504 54.537 53.050 -0.028 0.000 0.849 172 N CB 0.000 38.450 38.487 -0.062 0.000 1.002 172 N HN 0.137 nan 8.380 nan 0.000 0.425 173 N N 0.236 118.897 118.700 -0.064 0.000 2.142 173 N HA -0.059 4.681 4.740 -0.000 0.000 0.186 173 N C 1.342 176.873 175.510 0.035 0.000 1.023 173 N CA 0.702 53.724 53.050 -0.046 0.000 0.852 173 N CB -0.242 38.185 38.487 -0.100 0.000 0.998 173 N HN 0.286 nan 8.380 nan 0.000 0.424 174 I N 1.185 121.787 120.570 0.054 0.000 2.315 174 I HA -0.093 4.077 4.170 -0.000 0.000 0.248 174 I C 2.204 178.360 176.117 0.065 0.000 1.117 174 I CA 0.334 61.701 61.300 0.112 0.000 1.404 174 I CB -1.623 36.392 38.000 0.025 0.000 1.071 174 I HN 0.004 nan 8.210 nan 0.000 0.419 175 A N 0.928 123.760 122.820 0.020 0.000 1.834 175 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 175 A C 2.379 179.938 177.584 -0.042 0.000 1.203 175 A CA 2.045 54.068 52.037 -0.023 0.000 0.621 175 A CB -0.735 18.293 19.000 0.047 0.000 0.841 175 A HN 0.211 nan 8.150 nan 0.000 0.446 176 K N -0.384 120.000 120.400 -0.026 0.000 2.059 176 K HA -0.125 4.195 4.320 -0.000 0.000 0.212 176 K C 2.069 178.620 176.600 -0.081 0.000 1.050 176 K CA 1.926 58.186 56.287 -0.045 0.000 0.927 176 K CB -0.463 32.013 32.500 -0.039 0.000 0.714 176 K HN 0.479 nan 8.250 nan 0.000 0.447 177 A N -0.863 121.895 122.820 -0.103 0.000 1.943 177 A HA -0.027 4.293 4.320 -0.000 0.000 0.213 177 A C 1.341 178.696 177.584 -0.381 0.000 1.181 177 A CA 1.039 52.926 52.037 -0.249 0.000 0.653 177 A CB -0.174 18.640 19.000 -0.310 0.000 0.833 177 A HN 0.346 nan 8.150 nan 0.000 0.451 178 H N -1.815 117.206 119.070 -0.081 0.000 3.058 178 H HA 0.246 4.802 4.556 -0.000 0.000 0.266 178 H C 1.410 176.659 175.328 -0.133 0.000 1.135 178 H CA 0.396 56.390 56.048 -0.090 0.000 1.174 178 H CB 0.475 30.189 29.762 -0.079 0.000 1.581 178 H HN 0.586 nan 8.280 nan 0.000 0.553 179 G N 1.572 110.325 108.800 -0.078 0.000 2.203 179 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.263 179 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.263 179 G C 0.712 175.389 174.900 -0.371 0.000 1.012 179 G CA 0.435 45.410 45.100 -0.208 0.000 0.749 179 G HN 0.636 nan 8.290 nan 0.000 0.512 180 G N -1.148 107.488 108.800 -0.273 0.000 2.425 180 G HA2 0.676 4.636 3.960 -0.000 0.000 0.302 180 G HA3 0.676 4.636 3.960 -0.000 0.000 0.302 180 G C -0.344 174.323 174.900 -0.388 0.000 1.159 180 G CA -0.832 44.074 45.100 -0.325 0.000 0.865 180 G HN 0.132 nan 8.290 nan 0.000 0.515 181 F N -0.300 119.509 119.950 -0.235 0.000 2.461 181 F HA 0.702 5.229 4.527 -0.000 0.000 0.337 181 F C 0.827 176.561 175.800 -0.109 0.000 1.079 181 F CA -0.963 56.886 58.000 -0.252 0.000 1.032 181 F CB 1.826 40.483 39.000 -0.572 0.000 1.327 181 F HN 0.323 nan 8.300 nan 0.000 0.491 182 S N -0.289 115.553 115.700 0.238 0.000 2.599 182 S HA 0.776 5.246 4.470 -0.000 0.000 0.294 182 S C -1.322 173.451 174.600 0.287 0.000 1.094 182 S CA -0.765 57.593 58.200 0.263 0.000 0.931 182 S CB 2.253 65.688 63.200 0.391 0.000 1.093 182 S HN 0.250 nan 8.310 nan 0.000 0.488 183 V N 2.568 122.666 119.914 0.306 0.000 2.444 183 V HA 0.485 4.605 4.120 -0.000 0.000 0.294 183 V C -1.199 175.122 176.094 0.378 0.000 1.022 183 V CA -0.638 61.834 62.300 0.288 0.000 0.850 183 V CB 1.104 33.054 31.823 0.212 0.000 0.992 183 V HN 0.827 nan 8.190 nan 0.000 0.426 184 F N 3.975 124.065 119.950 0.232 0.000 2.411 184 F HA 0.690 5.216 4.527 -0.000 0.000 0.352 184 F C 0.272 176.186 175.800 0.189 0.000 1.123 184 F CA -0.026 58.133 58.000 0.265 0.000 1.044 184 F CB 1.538 40.637 39.000 0.165 0.000 1.135 184 F HN 0.475 nan 8.300 nan 0.000 0.461 185 T N 4.939 119.301 114.554 -0.320 0.000 2.791 185 T HA 0.468 4.818 4.350 -0.000 0.000 0.288 185 T C 0.124 174.655 174.700 -0.281 0.000 0.999 185 T CA -0.632 61.386 62.100 -0.136 0.000 0.952 185 T CB 1.187 70.004 68.868 -0.085 0.000 0.938 185 T HN 0.882 nan 8.240 nan 0.000 0.444 186 G N 2.232 111.122 108.800 0.151 0.000 2.546 186 G HA2 0.466 4.426 3.960 -0.000 0.000 0.320 186 G HA3 0.466 4.426 3.960 -0.000 0.000 0.320 186 G C -0.113 174.852 174.900 0.109 0.000 0.984 186 G CA -0.407 44.798 45.100 0.175 0.000 1.183 186 G HN 0.680 nan 8.290 nan 0.000 0.443 187 V N 2.806 122.745 119.914 0.040 0.000 2.370 187 V HA 0.490 4.609 4.120 -0.000 0.000 0.257 187 V C 1.311 177.434 176.094 0.048 0.000 1.064 187 V CA 0.765 63.100 62.300 0.059 0.000 0.975 187 V CB 0.314 32.181 31.823 0.074 0.000 1.067 187 V HN 1.286 nan 8.190 nan 0.000 0.485 188 G N 3.860 112.683 108.800 0.037 0.000 2.248 188 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.263 188 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.263 188 G C -0.066 174.833 174.900 -0.001 0.000 1.082 188 G CA 0.176 45.284 45.100 0.013 0.000 0.863 188 G HN 0.832 nan 8.290 nan 0.000 0.495 189 E N 0.214 120.404 120.200 -0.017 0.000 2.415 189 E HA 0.372 4.722 4.350 -0.000 0.000 0.263 189 E C 1.091 177.620 176.600 -0.118 0.000 0.995 189 E CA -0.238 56.105 56.400 -0.095 0.000 0.915 189 E CB 0.305 29.844 29.700 -0.268 0.000 0.951 189 E HN 0.467 nan 8.360 nan 0.000 0.449 190 R N 3.720 124.156 120.500 -0.105 0.000 2.370 190 R HA 0.059 4.398 4.340 -0.000 0.000 0.309 190 R C 1.061 177.282 176.300 -0.132 0.000 1.059 190 R CA 0.223 56.270 56.100 -0.088 0.000 0.981 190 R CB 0.385 30.654 30.300 -0.052 0.000 0.972 190 R HN 0.702 nan 8.270 nan 0.000 0.437 191 T N 2.517 117.011 114.554 -0.100 0.000 2.597 191 T HA -0.294 4.056 4.350 -0.000 0.000 0.267 191 T C 1.797 176.452 174.700 -0.074 0.000 1.053 191 T CA 1.666 63.710 62.100 -0.092 0.000 1.165 191 T CB -0.186 68.660 68.868 -0.037 0.000 0.863 191 T HN 0.604 nan 8.240 nan 0.000 0.427 192 R N 1.012 121.487 120.500 -0.043 0.000 2.133 192 R HA -0.211 4.129 4.340 -0.000 0.000 0.245 192 R C 2.341 178.623 176.300 -0.030 0.000 1.137 192 R CA 2.221 58.308 56.100 -0.022 0.000 0.947 192 R CB -0.244 30.048 30.300 -0.013 0.000 0.865 192 R HN 0.563 nan 8.270 nan 0.000 0.437 193 E N -1.414 118.752 120.200 -0.057 0.000 2.152 193 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 193 E C 1.870 178.414 176.600 -0.094 0.000 0.983 193 E CA 0.890 57.257 56.400 -0.055 0.000 0.818 193 E CB -0.080 29.592 29.700 -0.046 0.000 0.758 193 E HN 0.629 nan 8.360 nan 0.000 0.467 194 G N 1.702 110.369 108.800 -0.222 0.000 2.421 194 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.217 194 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.217 194 G C 1.443 176.383 174.900 0.066 0.000 1.143 194 G CA 0.458 45.336 45.100 -0.369 0.000 0.784 194 G HN 0.178 nan 8.290 nan 0.000 0.541 195 N N 0.982 119.716 118.700 0.057 0.000 2.188 195 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 195 N C 1.404 177.004 175.510 0.150 0.000 1.018 195 N CA 1.306 54.444 53.050 0.147 0.000 0.858 195 N CB -0.159 38.383 38.487 0.091 0.000 0.989 195 N HN 0.101 nan 8.380 nan 0.000 0.426 196 D N 0.957 121.405 120.400 0.080 0.000 2.097 196 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 196 D C 1.995 178.338 176.300 0.071 0.000 0.984 196 D CA 0.478 54.514 54.000 0.059 0.000 0.826 196 D CB -0.396 40.418 40.800 0.024 0.000 0.973 196 D HN 0.228 nan 8.370 nan 0.000 0.460 197 L N 0.056 121.323 121.223 0.073 0.000 2.083 197 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 197 L C 2.202 179.140 176.870 0.113 0.000 1.083 197 L CA 1.494 56.364 54.840 0.049 0.000 0.752 197 L CB -0.709 41.341 42.059 -0.015 0.000 0.899 197 L HN 0.026 nan 8.230 nan 0.000 0.433 198 Y N 0.476 120.813 120.300 0.062 0.000 2.114 198 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 198 Y C 2.900 178.815 175.900 0.025 0.000 1.143 198 Y CA 2.184 60.312 58.100 0.047 0.000 1.135 198 Y CB -0.512 38.004 38.460 0.093 0.000 0.980 198 Y HN 0.201 nan 8.280 nan 0.000 0.499 199 R N 0.438 120.906 120.500 -0.053 0.000 2.096 199 R HA -0.280 4.060 4.340 -0.000 0.000 0.240 199 R C 2.337 178.596 176.300 -0.068 0.000 1.139 199 R CA 2.222 58.250 56.100 -0.119 0.000 0.952 199 R CB -0.456 29.840 30.300 -0.006 0.000 0.854 199 R HN 0.595 nan 8.270 nan 0.000 0.436 200 E N -0.031 120.173 120.200 0.006 0.000 2.106 200 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 200 E C 2.015 178.626 176.600 0.017 0.000 0.984 200 E CA 1.402 57.837 56.400 0.059 0.000 0.806 200 E CB -0.054 29.687 29.700 0.068 0.000 0.750 200 E HN 0.370 nan 8.360 nan 0.000 0.458 201 M N 0.053 119.633 119.600 -0.033 0.000 2.319 201 M HA -0.082 4.398 4.480 -0.000 0.000 0.265 201 M C 2.009 178.253 176.300 -0.093 0.000 1.068 201 M CA 1.184 56.451 55.300 -0.055 0.000 1.118 201 M CB 0.143 32.718 32.600 -0.042 0.000 1.395 201 M HN -0.002 nan 8.290 nan 0.000 0.435 202 K N -0.021 120.283 120.400 -0.159 0.000 2.116 202 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 202 K C 1.654 178.176 176.600 -0.130 0.000 1.052 202 K CA 1.048 57.227 56.287 -0.181 0.000 0.952 202 K CB -0.025 32.297 32.500 -0.297 0.000 0.729 202 K HN 0.428 nan 8.250 nan 0.000 0.446 203 E N -0.100 120.036 120.200 -0.107 0.000 2.208 203 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 203 E C 1.683 178.172 176.600 -0.184 0.000 0.988 203 E CA 0.925 57.252 56.400 -0.121 0.000 0.828 203 E CB 0.120 29.787 29.700 -0.055 0.000 0.763 203 E HN 0.107 nan 8.360 nan 0.000 0.478 204 T N -1.744 112.731 114.554 -0.131 0.000 3.057 204 T HA 0.131 4.481 4.350 -0.000 0.000 0.254 204 T C 1.258 175.898 174.700 -0.100 0.000 1.094 204 T CA 1.014 63.034 62.100 -0.133 0.000 1.088 204 T CB 0.198 69.036 68.868 -0.049 0.000 0.934 204 T HN 0.421 nan 8.240 nan 0.000 0.497 205 G N 0.244 108.992 108.800 -0.087 0.000 2.313 205 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.215 205 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.215 205 G C 1.310 176.181 174.900 -0.048 0.000 1.023 205 G CA 0.605 45.665 45.100 -0.067 0.000 0.626 205 G HN 0.969 nan 8.290 nan 0.000 0.503 206 V N -0.581 119.308 119.914 -0.042 0.000 2.568 206 V HA 0.244 4.364 4.120 -0.000 0.000 0.253 206 V C 1.414 177.491 176.094 -0.029 0.000 1.072 206 V CA 1.777 64.062 62.300 -0.025 0.000 1.084 206 V CB -0.434 31.376 31.823 -0.021 0.000 0.676 206 V HN 0.520 nan 8.190 nan 0.000 0.469 207 I N 1.876 122.421 120.570 -0.042 0.000 2.339 207 I HA 0.449 4.619 4.170 -0.000 0.000 0.290 207 I C -0.316 175.768 176.117 -0.055 0.000 0.994 207 I CA -0.191 61.085 61.300 -0.040 0.000 1.191 207 I CB 1.400 39.386 38.000 -0.024 0.000 1.343 207 I HN 0.110 nan 8.210 nan 0.000 0.458 208 N N 7.025 125.699 118.700 -0.044 0.000 2.682 208 N HA 0.319 5.059 4.740 -0.000 0.000 0.252 208 N C 0.553 176.045 175.510 -0.031 0.000 1.081 208 N CA -0.336 52.688 53.050 -0.043 0.000 0.844 208 N CB 1.042 39.507 38.487 -0.035 0.000 1.167 208 N HN 0.584 nan 8.380 nan 0.000 0.523 209 L N 1.195 122.400 121.223 -0.031 0.000 2.129 209 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 209 L C 1.207 178.071 176.870 -0.011 0.000 1.087 209 L CA 1.300 56.134 54.840 -0.011 0.000 0.757 209 L CB 0.065 42.120 42.059 -0.006 0.000 0.896 209 L HN 0.557 nan 8.230 nan 0.000 0.434 210 E N -1.022 119.167 120.200 -0.017 0.000 2.474 210 E HA 0.094 4.444 4.350 -0.000 0.000 0.195 210 E C 0.925 177.518 176.600 -0.013 0.000 1.039 210 E CA 0.121 56.513 56.400 -0.013 0.000 0.881 210 E CB 0.515 30.207 29.700 -0.014 0.000 0.970 210 E HN 0.489 nan 8.360 nan 0.000 0.486 211 G N 0.450 109.240 108.800 -0.016 0.000 3.340 211 G HA2 0.284 4.244 3.960 -0.000 0.000 0.176 211 G HA3 0.284 4.244 3.960 -0.000 0.000 0.176 211 G C -1.005 173.886 174.900 -0.015 0.000 1.103 211 G CA -0.430 44.662 45.100 -0.013 0.000 0.779 211 G HN -0.083 nan 8.290 nan 0.000 0.673 212 E N 0.527 120.719 120.200 -0.014 0.000 2.155 212 E HA 0.612 4.962 4.350 -0.000 0.000 0.264 212 E C -0.631 175.944 176.600 -0.042 0.000 0.886 212 E CA -0.291 56.095 56.400 -0.024 0.000 0.752 212 E CB 1.687 31.394 29.700 0.011 0.000 1.133 212 E HN 0.262 nan 8.360 nan 0.000 0.414 213 S N 2.455 118.101 115.700 -0.089 0.000 2.586 213 S HA 0.247 4.716 4.470 -0.000 0.000 0.274 213 S C 0.882 175.369 174.600 -0.189 0.000 1.281 213 S CA -0.623 57.516 58.200 -0.102 0.000 1.035 213 S CB 1.200 64.347 63.200 -0.087 0.000 0.962 213 S HN 0.389 nan 8.310 nan 0.000 0.512 214 K N 0.439 120.785 120.400 -0.089 0.000 2.356 214 K HA 0.271 4.591 4.320 -0.000 0.000 0.195 214 K C -0.024 176.549 176.600 -0.045 0.000 1.037 214 K CA 0.233 56.516 56.287 -0.006 0.000 1.014 214 K CB 0.577 33.145 32.500 0.114 0.000 0.815 214 K HN 0.335 nan 8.250 nan 0.000 0.507 215 V N 0.120 119.997 119.914 -0.061 0.000 2.971 215 V HA 0.651 4.770 4.120 -0.000 0.000 0.309 215 V C -1.828 174.271 176.094 0.007 0.000 1.130 215 V CA -0.935 61.381 62.300 0.027 0.000 0.964 215 V CB 1.936 33.816 31.823 0.095 0.000 1.029 215 V HN 0.061 nan 8.190 nan 0.000 0.427 216 A N 6.267 129.129 122.820 0.069 0.000 2.305 216 A HA 0.860 5.179 4.320 -0.000 0.000 0.322 216 A C -0.979 176.629 177.584 0.041 0.000 1.187 216 A CA -0.589 51.474 52.037 0.044 0.000 0.825 216 A CB 0.816 19.870 19.000 0.091 0.000 1.164 216 A HN 0.865 nan 8.150 nan 0.000 0.498 217 L N 2.897 124.070 121.223 -0.084 0.000 2.287 217 L HA 0.469 4.809 4.340 -0.000 0.000 0.287 217 L C -0.873 175.816 176.870 -0.302 0.000 1.022 217 L CA -0.723 53.991 54.840 -0.210 0.000 0.814 217 L CB 1.600 43.346 42.059 -0.521 0.000 1.217 217 L HN 0.404 nan 8.230 nan 0.000 0.420 218 V N 3.855 123.701 119.914 -0.114 0.000 2.334 218 V HA 0.391 4.511 4.120 -0.000 0.000 0.281 218 V C -0.464 175.715 176.094 0.142 0.000 1.016 218 V CA -0.387 61.885 62.300 -0.048 0.000 0.832 218 V CB 1.124 32.959 31.823 0.021 0.000 0.999 218 V HN 0.340 nan 8.190 nan 0.000 0.439 219 F N 2.706 122.698 119.950 0.070 0.000 2.415 219 F HA 0.714 5.241 4.527 -0.000 0.000 0.348 219 F C 0.876 176.700 175.800 0.040 0.000 1.119 219 F CA -1.587 56.457 58.000 0.072 0.000 1.069 219 F CB 1.917 40.950 39.000 0.056 0.000 1.124 219 F HN 0.497 nan 8.300 nan 0.000 0.472 220 G N 3.736 112.677 108.800 0.234 0.000 2.955 220 G HA2 0.435 4.395 3.960 -0.000 0.000 0.336 220 G HA3 0.435 4.395 3.960 -0.000 0.000 0.336 220 G C -0.631 174.314 174.900 0.076 0.000 1.264 220 G CA -0.481 44.692 45.100 0.121 0.000 1.096 220 G HN 0.539 nan 8.290 nan 0.000 0.486 221 Q N 1.581 121.416 119.800 0.059 0.000 2.293 221 Q HA 0.246 4.586 4.340 -0.000 0.000 0.251 221 Q C 1.628 177.629 176.000 0.002 0.000 0.930 221 Q CA -0.427 55.382 55.803 0.011 0.000 0.893 221 Q CB 1.934 30.676 28.738 0.006 0.000 1.215 221 Q HN 0.591 nan 8.270 nan 0.000 0.425 222 M N 1.974 121.565 119.600 -0.014 0.000 2.252 222 M HA -0.255 4.224 4.480 -0.000 0.000 0.257 222 M C 1.177 177.470 176.300 -0.011 0.000 1.077 222 M CA 1.461 56.753 55.300 -0.014 0.000 1.066 222 M CB -0.081 32.507 32.600 -0.020 0.000 1.380 222 M HN 0.654 nan 8.290 nan 0.000 0.412 223 N N -0.123 118.573 118.700 -0.007 0.000 2.314 223 N HA 0.010 4.750 4.740 -0.000 0.000 0.200 223 N C -0.564 174.946 175.510 -0.000 0.000 1.135 223 N CA 0.187 53.235 53.050 -0.005 0.000 0.835 223 N CB -0.148 38.337 38.487 -0.004 0.000 0.989 223 N HN 0.391 nan 8.380 nan 0.000 0.478 224 E N 1.522 121.723 120.200 0.002 0.000 2.248 224 E HA 0.337 4.687 4.350 -0.000 0.000 0.272 224 E C -2.267 174.332 176.600 -0.001 0.000 1.008 224 E CA -2.160 54.243 56.400 0.006 0.000 0.856 224 E CB 1.028 30.737 29.700 0.015 0.000 1.120 224 E HN 0.197 nan 8.360 nan 0.000 0.397 225 P HA -0.048 nan 4.420 nan 0.000 0.270 225 P C -2.134 175.160 177.300 -0.010 0.000 1.227 225 P CA -0.951 62.146 63.100 -0.005 0.000 0.788 225 P CB 0.056 31.756 31.700 -0.000 0.000 0.926 226 P HA -0.144 nan 4.420 nan 0.000 0.220 226 P C 1.647 178.930 177.300 -0.028 0.000 1.148 226 P CA 1.762 64.842 63.100 -0.033 0.000 0.803 226 P CB -0.592 31.082 31.700 -0.044 0.000 0.782 227 G N 0.778 109.570 108.800 -0.013 0.000 2.421 227 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 227 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 227 G C 1.814 176.719 174.900 0.009 0.000 1.171 227 G CA 1.137 46.237 45.100 -0.001 0.000 0.775 227 G HN 0.337 nan 8.290 nan 0.000 0.543 228 A N 0.833 123.659 122.820 0.010 0.000 1.883 228 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 228 A C 2.452 180.049 177.584 0.022 0.000 1.186 228 A CA 1.938 53.986 52.037 0.018 0.000 0.624 228 A CB -0.435 18.577 19.000 0.019 0.000 0.822 228 A HN 0.356 nan 8.150 nan 0.000 0.444 229 R N -0.772 119.734 120.500 0.011 0.000 2.115 229 R HA 0.034 4.374 4.340 -0.000 0.000 0.230 229 R C 2.401 178.715 176.300 0.024 0.000 1.111 229 R CA 1.077 57.186 56.100 0.016 0.000 0.976 229 R CB -0.373 29.925 30.300 -0.004 0.000 0.870 229 R HN 0.527 nan 8.270 nan 0.000 0.445 230 A N 0.767 123.581 122.820 -0.010 0.000 1.930 230 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 230 A C 1.854 179.485 177.584 0.080 0.000 1.175 230 A CA 1.033 53.047 52.037 -0.039 0.000 0.627 230 A CB -0.124 18.813 19.000 -0.104 0.000 0.815 230 A HN 0.043 nan 8.150 nan 0.000 0.443 231 R N 0.035 120.569 120.500 0.057 0.000 2.090 231 R HA -0.072 4.267 4.340 -0.000 0.000 0.228 231 R C 2.175 178.495 176.300 0.034 0.000 1.110 231 R CA 1.435 57.559 56.100 0.041 0.000 0.973 231 R CB -1.679 28.627 30.300 0.009 0.000 0.869 231 R HN 0.570 nan 8.270 nan 0.000 0.440 232 V N -0.396 119.547 119.914 0.050 0.000 2.370 232 V HA -0.248 3.872 4.120 -0.000 0.000 0.252 232 V C 2.372 178.476 176.094 0.017 0.000 1.068 232 V CA 1.890 64.213 62.300 0.038 0.000 1.061 232 V CB -1.479 30.382 31.823 0.063 0.000 0.656 232 V HN 0.204 nan 8.190 nan 0.000 0.455 233 A N 1.154 123.992 122.820 0.031 0.000 1.908 233 A HA -0.121 4.198 4.320 -0.000 0.000 0.218 233 A C 2.253 179.789 177.584 -0.080 0.000 1.181 233 A CA 2.360 54.361 52.037 -0.060 0.000 0.627 233 A CB -0.696 18.196 19.000 -0.179 0.000 0.818 233 A HN 0.611 nan 8.150 nan 0.000 0.445 234 L N -0.955 120.232 121.223 -0.060 0.000 2.141 234 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 234 L C 2.682 179.493 176.870 -0.099 0.000 1.094 234 L CA 1.575 56.352 54.840 -0.107 0.000 0.763 234 L CB -1.097 40.848 42.059 -0.191 0.000 0.908 234 L HN 0.327 nan 8.230 nan 0.000 0.437 235 T N -0.006 114.503 114.554 -0.074 0.000 2.701 235 T HA -0.098 4.252 4.350 -0.000 0.000 0.263 235 T C 1.917 176.591 174.700 -0.044 0.000 1.040 235 T CA 1.437 63.502 62.100 -0.059 0.000 1.147 235 T CB -0.501 68.344 68.868 -0.037 0.000 0.865 235 T HN 0.540 nan 8.240 nan 0.000 0.426 236 G N 1.532 110.314 108.800 -0.028 0.000 2.418 236 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.217 236 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.217 236 G C 1.541 176.432 174.900 -0.015 0.000 1.158 236 G CA 0.796 45.891 45.100 -0.008 0.000 0.771 236 G HN 0.420 nan 8.290 nan 0.000 0.545 237 L N 0.978 122.174 121.223 -0.045 0.000 2.127 237 L HA -0.024 4.315 4.340 -0.000 0.000 0.211 237 L C 2.759 179.609 176.870 -0.033 0.000 1.089 237 L CA 2.534 57.344 54.840 -0.050 0.000 0.757 237 L CB -0.853 41.157 42.059 -0.083 0.000 0.899 237 L HN 0.168 nan 8.230 nan 0.000 0.434 238 T N -0.187 114.341 114.554 -0.044 0.000 2.812 238 T HA -0.070 4.280 4.350 -0.000 0.000 0.264 238 T C 1.950 176.621 174.700 -0.048 0.000 1.042 238 T CA 1.703 63.778 62.100 -0.042 0.000 1.140 238 T CB -0.230 68.603 68.868 -0.057 0.000 0.870 238 T HN 0.325 nan 8.240 nan 0.000 0.445 239 I N 1.543 122.073 120.570 -0.066 0.000 2.127 239 I HA -0.225 3.945 4.170 -0.000 0.000 0.241 239 I C 2.979 179.035 176.117 -0.101 0.000 1.075 239 I CA 1.326 62.552 61.300 -0.124 0.000 1.334 239 I CB -0.613 37.355 38.000 -0.054 0.000 1.040 239 I HN 0.187 nan 8.210 nan 0.000 0.405 240 A N 0.478 123.335 122.820 0.062 0.000 1.908 240 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 240 A C 2.195 179.850 177.584 0.118 0.000 1.181 240 A CA 1.979 54.124 52.037 0.179 0.000 0.627 240 A CB -0.673 18.396 19.000 0.116 0.000 0.818 240 A HN 0.496 nan 8.150 nan 0.000 0.445 241 E N -1.983 118.241 120.200 0.040 0.000 2.150 241 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 241 E C 1.803 178.418 176.600 0.024 0.000 0.985 241 E CA 1.240 57.657 56.400 0.027 0.000 0.814 241 E CB -0.272 29.434 29.700 0.010 0.000 0.752 241 E HN 0.807 nan 8.360 nan 0.000 0.466 242 Y N 0.249 120.463 120.300 -0.143 0.000 2.181 242 Y HA -0.245 4.305 4.550 -0.000 0.000 0.288 242 Y C 1.675 177.503 175.900 -0.120 0.000 1.146 242 Y CA 1.404 59.391 58.100 -0.189 0.000 1.164 242 Y CB -0.133 38.134 38.460 -0.323 0.000 0.982 242 Y HN -0.044 nan 8.280 nan 0.000 0.515 243 F N 0.302 120.314 119.950 0.102 0.000 2.171 243 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 243 F C 2.697 178.458 175.800 -0.064 0.000 1.090 243 F CA 1.758 59.780 58.000 0.036 0.000 1.293 243 F CB -0.936 38.146 39.000 0.137 0.000 1.013 243 F HN 0.016 nan 8.300 nan 0.000 0.486 244 R N 0.532 121.099 120.500 0.111 0.000 2.062 244 R HA -0.135 4.205 4.340 -0.000 0.000 0.231 244 R C 1.691 177.963 176.300 -0.047 0.000 1.136 244 R CA 2.071 58.184 56.100 0.023 0.000 0.948 244 R CB -0.369 29.939 30.300 0.013 0.000 0.845 244 R HN 0.137 nan 8.270 nan 0.000 0.430 245 D N -0.130 120.213 120.400 -0.094 0.000 2.213 245 D HA -0.080 4.559 4.640 -0.000 0.000 0.205 245 D C 1.711 177.900 176.300 -0.186 0.000 0.961 245 D CA 0.816 54.746 54.000 -0.116 0.000 0.853 245 D CB 0.102 40.850 40.800 -0.087 0.000 0.967 245 D HN 0.285 nan 8.370 nan 0.000 0.496 246 E N 0.343 120.326 120.200 -0.362 0.000 2.201 246 E HA -0.011 4.339 4.350 -0.000 0.000 0.193 246 E C 1.525 177.987 176.600 -0.230 0.000 0.957 246 E CA 0.523 56.680 56.400 -0.405 0.000 0.858 246 E CB 0.431 29.595 29.700 -0.894 0.000 0.816 246 E HN 0.220 nan 8.360 nan 0.000 0.475 247 E N -0.469 119.631 120.200 -0.168 0.000 2.460 247 E HA 0.116 4.465 4.350 -0.000 0.000 0.200 247 E C 0.905 177.491 176.600 -0.023 0.000 1.011 247 E CA 0.546 56.930 56.400 -0.027 0.000 0.912 247 E CB 0.856 30.628 29.700 0.120 0.000 0.953 247 E HN 0.295 nan 8.360 nan 0.000 0.494 248 G N 2.383 111.161 108.800 -0.037 0.000 2.176 248 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.252 248 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.252 248 G C 0.145 175.026 174.900 -0.032 0.000 1.024 248 G CA 0.420 45.499 45.100 -0.035 0.000 0.755 248 G HN 0.265 nan 8.290 nan 0.000 0.507 249 Q N -0.434 119.354 119.800 -0.020 0.000 2.256 249 Q HA 0.456 4.796 4.340 -0.000 0.000 0.232 249 Q C -0.677 175.300 176.000 -0.037 0.000 0.965 249 Q CA -0.354 55.419 55.803 -0.049 0.000 0.908 249 Q CB 0.697 29.392 28.738 -0.072 0.000 1.209 249 Q HN 0.388 nan 8.270 nan 0.000 0.489 250 D N 0.876 121.238 120.400 -0.063 0.000 2.456 250 D HA 0.221 4.861 4.640 -0.000 0.000 0.219 250 D C -0.979 175.276 176.300 -0.076 0.000 1.126 250 D CA -0.126 53.830 54.000 -0.074 0.000 0.890 250 D CB 0.907 41.639 40.800 -0.112 0.000 1.025 250 D HN 0.062 nan 8.370 nan 0.000 0.511 251 V N 2.728 122.622 119.914 -0.032 0.000 2.785 251 V HA 0.298 4.418 4.120 -0.000 0.000 0.300 251 V C 0.390 176.460 176.094 -0.040 0.000 1.062 251 V CA -0.816 61.486 62.300 0.004 0.000 1.029 251 V CB 1.399 33.294 31.823 0.119 0.000 1.024 251 V HN 0.440 nan 8.190 nan 0.000 0.477 252 L N 4.138 125.340 121.223 -0.034 0.000 2.307 252 L HA 0.563 4.903 4.340 -0.000 0.000 0.284 252 L C -0.725 176.056 176.870 -0.147 0.000 1.023 252 L CA -0.532 54.210 54.840 -0.163 0.000 0.810 252 L CB 1.620 43.567 42.059 -0.185 0.000 1.231 252 L HN 0.517 nan 8.230 nan 0.000 0.423 253 L N 3.640 124.704 121.223 -0.265 0.000 2.333 253 L HA 0.577 4.917 4.340 -0.000 0.000 0.280 253 L C -1.288 175.377 176.870 -0.341 0.000 1.004 253 L CA 0.161 54.901 54.840 -0.167 0.000 0.820 253 L CB 1.311 43.316 42.059 -0.091 0.000 1.247 253 L HN 0.203 nan 8.230 nan 0.000 0.416 254 F N 5.627 125.556 119.950 -0.034 0.000 2.421 254 F HA 0.596 5.122 4.527 -0.000 0.000 0.337 254 F C 0.096 175.716 175.800 -0.300 0.000 1.105 254 F CA -0.468 57.463 58.000 -0.114 0.000 1.049 254 F CB 1.522 40.517 39.000 -0.009 0.000 1.139 254 F HN 0.243 nan 8.300 nan 0.000 0.479 255 I N 2.944 123.463 120.570 -0.086 0.000 2.448 255 I HA 0.245 4.415 4.170 -0.000 0.000 0.281 255 I C -1.365 174.681 176.117 -0.118 0.000 1.027 255 I CA -0.411 60.792 61.300 -0.163 0.000 1.111 255 I CB 1.662 39.568 38.000 -0.157 0.000 1.236 255 I HN 0.452 nan 8.210 nan 0.000 0.452 256 D N 6.232 126.525 120.400 -0.180 0.000 2.476 256 D HA 0.247 4.887 4.640 -0.000 0.000 0.251 256 D C -1.180 175.121 176.300 0.002 0.000 1.291 256 D CA -0.201 53.770 54.000 -0.048 0.000 0.939 256 D CB 1.433 42.223 40.800 -0.016 0.000 1.221 256 D HN 0.380 nan 8.370 nan 0.000 0.567 257 N N 3.733 122.467 118.700 0.057 0.000 2.361 257 N HA 0.258 4.998 4.740 -0.000 0.000 0.302 257 N C 0.736 176.315 175.510 0.114 0.000 1.074 257 N CA -0.489 52.619 53.050 0.098 0.000 0.850 257 N CB 1.848 40.429 38.487 0.156 0.000 1.228 257 N HN 0.445 nan 8.380 nan 0.000 0.491 258 I N 2.559 123.197 120.570 0.113 0.000 2.676 258 I HA -0.097 4.073 4.170 -0.000 0.000 0.259 258 I C 1.598 177.859 176.117 0.240 0.000 1.194 258 I CA 0.520 61.896 61.300 0.127 0.000 1.473 258 I CB -0.104 37.917 38.000 0.035 0.000 1.096 258 I HN 0.541 nan 8.210 nan 0.000 0.443 259 F N 1.496 121.522 119.950 0.126 0.000 2.216 259 F HA -0.152 4.375 4.527 -0.000 0.000 0.300 259 F C 2.345 178.220 175.800 0.124 0.000 1.085 259 F CA 1.525 59.612 58.000 0.144 0.000 1.326 259 F CB -0.244 38.881 39.000 0.209 0.000 1.027 259 F HN -0.084 nan 8.300 nan 0.000 0.497 260 R N -1.026 119.472 120.500 -0.004 0.000 2.193 260 R HA -0.094 4.246 4.340 -0.000 0.000 0.213 260 R C 2.177 178.442 176.300 -0.058 0.000 1.055 260 R CA 1.087 57.120 56.100 -0.112 0.000 0.995 260 R CB -0.724 29.579 30.300 0.005 0.000 0.893 260 R HN 0.423 nan 8.270 nan 0.000 0.459 261 F N 1.576 121.460 119.950 -0.109 0.000 2.134 261 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 261 F C 2.053 177.780 175.800 -0.121 0.000 1.097 261 F CA 1.605 59.549 58.000 -0.093 0.000 1.264 261 F CB -0.355 38.605 39.000 -0.067 0.000 1.001 261 F HN -0.190 nan 8.300 nan 0.000 0.479 262 T N 0.394 114.848 114.554 -0.167 0.000 2.737 262 T HA -0.172 4.178 4.350 -0.000 0.000 0.265 262 T C 1.864 176.371 174.700 -0.322 0.000 1.038 262 T CA 1.504 63.435 62.100 -0.281 0.000 1.144 262 T CB -0.205 68.592 68.868 -0.119 0.000 0.866 262 T HN 0.262 nan 8.240 nan 0.000 0.434 263 Q N 0.642 120.175 119.800 -0.444 0.000 2.170 263 Q HA 0.068 4.408 4.340 -0.000 0.000 0.203 263 Q C 2.566 178.421 176.000 -0.242 0.000 0.976 263 Q CA 1.365 56.949 55.803 -0.365 0.000 0.858 263 Q CB -0.636 27.808 28.738 -0.489 0.000 0.907 263 Q HN 0.570 nan 8.270 nan 0.000 0.433 264 A N 0.470 123.143 122.820 -0.245 0.000 1.929 264 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 264 A C 2.338 179.799 177.584 -0.205 0.000 1.176 264 A CA 1.527 53.452 52.037 -0.186 0.000 0.628 264 A CB -0.912 18.000 19.000 -0.146 0.000 0.816 264 A HN 0.427 nan 8.150 nan 0.000 0.444 265 G N -0.870 107.743 108.800 -0.312 0.000 2.418 265 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.217 265 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.217 265 G C 1.899 176.704 174.900 -0.159 0.000 1.158 265 G CA 1.388 46.323 45.100 -0.275 0.000 0.771 265 G HN 0.492 nan 8.290 nan 0.000 0.545 266 S N 0.149 115.770 115.700 -0.133 0.000 2.370 266 S HA -0.116 4.354 4.470 -0.000 0.000 0.226 266 S C 2.294 176.843 174.600 -0.085 0.000 1.033 266 S CA 1.863 60.017 58.200 -0.076 0.000 1.011 266 S CB -0.223 62.939 63.200 -0.064 0.000 0.852 266 S HN 0.582 nan 8.310 nan 0.000 0.457 267 E N -0.181 119.959 120.200 -0.100 0.000 2.106 267 E HA -0.077 4.272 4.350 -0.000 0.000 0.192 267 E C 2.069 178.630 176.600 -0.065 0.000 0.984 267 E CA 1.235 57.587 56.400 -0.081 0.000 0.806 267 E CB -0.067 29.583 29.700 -0.083 0.000 0.750 267 E HN 0.303 nan 8.360 nan 0.000 0.458 268 V N 0.347 120.219 119.914 -0.071 0.000 2.379 268 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 268 V C 2.334 178.401 176.094 -0.045 0.000 1.044 268 V CA 1.747 64.015 62.300 -0.054 0.000 1.036 268 V CB -0.323 31.465 31.823 -0.059 0.000 0.664 268 V HN 0.280 nan 8.190 nan 0.000 0.453 269 S N 0.033 115.702 115.700 -0.053 0.000 2.387 269 S HA -0.236 4.234 4.470 -0.000 0.000 0.230 269 S C 2.059 176.640 174.600 -0.032 0.000 1.035 269 S CA 1.894 60.070 58.200 -0.040 0.000 1.014 269 S CB -0.270 62.906 63.200 -0.040 0.000 0.836 269 S HN 0.616 nan 8.310 nan 0.000 0.466 270 A N 1.303 124.101 122.820 -0.037 0.000 1.872 270 A HA 0.166 4.486 4.320 -0.000 0.000 0.214 270 A C 2.181 179.750 177.584 -0.025 0.000 1.187 270 A CA 1.233 53.251 52.037 -0.032 0.000 0.614 270 A CB -0.807 18.169 19.000 -0.040 0.000 0.826 270 A HN 0.563 nan 8.150 nan 0.000 0.442 271 L N -0.584 120.624 121.223 -0.026 0.000 2.187 271 L HA -0.147 4.193 4.340 -0.000 0.000 0.213 271 L C 1.961 178.823 176.870 -0.012 0.000 1.100 271 L CA 0.810 55.638 54.840 -0.018 0.000 0.765 271 L CB -0.444 41.604 42.059 -0.018 0.000 0.904 271 L HN 0.338 nan 8.230 nan 0.000 0.437 272 L N -0.497 120.718 121.223 -0.014 0.000 2.591 272 L HA 0.146 4.486 4.340 -0.000 0.000 0.228 272 L C 1.435 178.301 176.870 -0.008 0.000 1.133 272 L CA 0.467 55.302 54.840 -0.009 0.000 0.880 272 L CB -0.292 41.760 42.059 -0.012 0.000 1.033 272 L HN 0.461 nan 8.230 nan 0.000 0.450 273 G N 0.653 109.446 108.800 -0.011 0.000 2.136 273 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.242 273 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.242 273 G C 0.289 175.183 174.900 -0.009 0.000 0.989 273 G CA -0.234 44.861 45.100 -0.009 0.000 0.682 273 G HN 0.348 nan 8.290 nan 0.000 0.522 274 R N -0.121 120.372 120.500 -0.012 0.000 2.438 274 R HA 0.390 4.730 4.340 -0.000 0.000 0.287 274 R C 0.968 177.262 176.300 -0.010 0.000 1.077 274 R CA -0.749 55.345 56.100 -0.010 0.000 1.034 274 R CB 0.531 30.824 30.300 -0.013 0.000 0.993 274 R HN 0.164 nan 8.270 nan 0.000 0.459 275 I N 5.144 125.711 120.570 -0.006 0.000 2.668 275 I HA 0.044 4.214 4.170 -0.000 0.000 0.285 275 I C -1.809 174.307 176.117 -0.002 0.000 1.168 275 I CA -2.604 58.694 61.300 -0.005 0.000 1.424 275 I CB -0.077 37.922 38.000 -0.001 0.000 1.377 275 I HN 0.352 nan 8.210 nan 0.000 0.560 276 P HA 0.159 nan 4.420 nan 0.000 0.271 276 P C 0.026 177.335 177.300 0.015 0.000 1.216 276 P CA -0.196 62.904 63.100 0.000 0.000 0.776 276 P CB 0.654 32.344 31.700 -0.018 0.000 0.881 277 S N 1.749 117.471 115.700 0.037 0.000 2.397 277 S HA 0.605 5.074 4.470 -0.000 0.000 0.261 277 S C 0.294 174.931 174.600 0.061 0.000 1.187 277 S CA -0.645 57.584 58.200 0.049 0.000 1.023 277 S CB -0.446 62.789 63.200 0.058 0.000 1.103 277 S HN 0.529 nan 8.310 nan 0.000 0.474 278 A N 0.101 122.969 122.820 0.079 0.000 2.540 278 A HA 0.465 4.785 4.320 -0.000 0.000 0.239 278 A C 1.075 178.737 177.584 0.129 0.000 1.061 278 A CA 0.012 52.100 52.037 0.085 0.000 0.758 278 A CB -1.019 18.031 19.000 0.083 0.000 0.991 278 A HN 1.730 nan 8.150 nan 0.000 0.502 279 V N 1.250 121.209 119.914 0.076 0.000 2.666 279 V HA -0.329 3.791 4.120 -0.000 0.000 0.147 279 V C 1.808 177.830 176.094 -0.120 0.000 0.450 279 V CA 1.849 64.171 62.300 0.037 0.000 1.232 279 V CB -2.341 29.571 31.823 0.149 0.000 1.437 279 V HN 2.927 nan 8.190 nan 0.000 1.056 280 G N -2.822 105.924 108.800 -0.090 0.000 2.175 280 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.244 280 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.244 280 G C -0.153 174.624 174.900 -0.204 0.000 0.982 280 G CA 0.179 45.182 45.100 -0.161 0.000 0.641 280 G HN 0.844 nan 8.290 nan 0.000 0.527 281 Y N 2.282 122.582 120.300 -0.001 0.000 2.357 281 Y HA 0.398 4.948 4.550 -0.000 0.000 0.340 281 Y C 1.488 177.371 175.900 -0.028 0.000 1.260 281 Y CA -0.019 58.070 58.100 -0.018 0.000 1.425 281 Y CB 0.453 38.910 38.460 -0.006 0.000 1.326 281 Y HN 0.432 nan 8.280 nan 0.000 0.580 282 Q N 3.497 123.375 119.800 0.130 0.000 2.369 282 Q HA -0.019 4.321 4.340 -0.000 0.000 0.295 282 Q C -2.205 173.827 176.000 0.052 0.000 1.075 282 Q CA -1.244 54.587 55.803 0.047 0.000 0.941 282 Q CB 0.382 29.122 28.738 0.003 0.000 1.260 282 Q HN 0.404 nan 8.270 nan 0.000 0.417 283 P HA -0.087 nan 4.420 nan 0.000 0.228 283 P C 0.677 177.987 177.300 0.018 0.000 1.151 283 P CA 1.342 64.457 63.100 0.025 0.000 0.770 283 P CB -0.049 31.658 31.700 0.013 0.000 0.786 284 T N -4.306 110.254 114.554 0.010 0.000 3.176 284 T HA 0.178 4.528 4.350 -0.000 0.000 0.263 284 T C 1.325 176.027 174.700 0.003 0.000 1.021 284 T CA -0.391 61.711 62.100 0.004 0.000 0.905 284 T CB -0.700 68.164 68.868 -0.007 0.000 1.057 284 T HN -0.147 nan 8.240 nan 0.000 0.558 285 L N 2.113 123.339 121.223 0.004 0.000 1.997 285 L HA -0.063 4.276 4.340 -0.000 0.000 0.216 285 L C 2.670 179.546 176.870 0.010 0.000 1.074 285 L CA 2.458 57.289 54.840 -0.015 0.000 0.763 285 L CB -1.019 41.017 42.059 -0.039 0.000 0.890 285 L HN 0.379 nan 8.230 nan 0.000 0.434 286 A N -1.417 121.418 122.820 0.026 0.000 1.873 286 A HA -0.200 4.119 4.320 -0.000 0.000 0.215 286 A C 2.346 179.981 177.584 0.085 0.000 1.186 286 A CA 2.480 54.555 52.037 0.063 0.000 0.616 286 A CB -1.370 17.662 19.000 0.053 0.000 0.823 286 A HN 0.651 nan 8.150 nan 0.000 0.442 287 T N -2.055 112.535 114.554 0.060 0.000 2.812 287 T HA -0.127 4.223 4.350 -0.000 0.000 0.264 287 T C 1.362 176.103 174.700 0.069 0.000 1.042 287 T CA 1.359 63.496 62.100 0.061 0.000 1.140 287 T CB -0.526 68.365 68.868 0.039 0.000 0.870 287 T HN 0.358 nan 8.240 nan 0.000 0.445 288 D N 0.943 121.378 120.400 0.059 0.000 2.158 288 D HA -0.078 4.561 4.640 -0.000 0.000 0.197 288 D C 1.916 178.345 176.300 0.214 0.000 0.995 288 D CA 1.112 55.163 54.000 0.086 0.000 0.846 288 D CB -0.362 40.421 40.800 -0.027 0.000 0.941 288 D HN 0.303 nan 8.370 nan 0.000 0.456 289 M N 0.663 120.362 119.600 0.166 0.000 2.099 289 M HA 0.035 4.515 4.480 -0.000 0.000 0.262 289 M C 2.052 178.303 176.300 -0.081 0.000 1.067 289 M CA 1.645 57.019 55.300 0.123 0.000 1.124 289 M CB -0.815 31.834 32.600 0.081 0.000 1.353 289 M HN -0.003 nan 8.290 nan 0.000 0.410 290 G N -0.338 108.463 108.800 0.002 0.000 2.432 290 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.219 290 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.219 290 G C 1.445 176.343 174.900 -0.003 0.000 1.135 290 G CA 0.820 45.926 45.100 0.010 0.000 0.767 290 G HN 0.487 nan 8.290 nan 0.000 0.550 291 L N -0.356 120.889 121.223 0.036 0.000 2.552 291 L HA 0.187 4.527 4.340 -0.000 0.000 0.227 291 L C 2.299 179.182 176.870 0.021 0.000 1.146 291 L CA -0.014 54.856 54.840 0.050 0.000 0.858 291 L CB 0.084 42.197 42.059 0.090 0.000 0.969 291 L HN 0.281 nan 8.230 nan 0.000 0.451 292 L N -1.738 119.459 121.223 -0.043 0.000 2.347 292 L HA 0.055 4.395 4.340 -0.000 0.000 0.196 292 L C 2.346 179.101 176.870 -0.192 0.000 1.072 292 L CA 1.111 55.859 54.840 -0.152 0.000 0.817 292 L CB -0.334 41.510 42.059 -0.359 0.000 1.029 292 L HN 0.003 nan 8.230 nan 0.000 0.478 293 Q N 0.309 119.954 119.800 -0.259 0.000 2.119 293 Q HA -0.115 4.225 4.340 -0.000 0.000 0.201 293 Q C 1.786 177.719 176.000 -0.111 0.000 0.972 293 Q CA 1.135 56.782 55.803 -0.261 0.000 0.847 293 Q CB -0.239 28.172 28.738 -0.545 0.000 0.903 293 Q HN 0.583 nan 8.270 nan 0.000 0.433 294 E N 0.569 120.736 120.200 -0.056 0.000 2.472 294 E HA -0.100 4.250 4.350 -0.000 0.000 0.200 294 E C 1.574 178.171 176.600 -0.005 0.000 1.046 294 E CA 0.382 56.790 56.400 0.014 0.000 0.871 294 E CB 0.029 29.758 29.700 0.049 0.000 0.806 294 E HN 0.315 nan 8.360 nan 0.000 0.533 295 R N -0.122 120.359 120.500 -0.033 0.000 2.223 295 R HA 0.206 4.546 4.340 -0.000 0.000 0.198 295 R C 0.821 177.097 176.300 -0.039 0.000 0.984 295 R CA 0.070 56.152 56.100 -0.030 0.000 1.018 295 R CB 0.384 30.663 30.300 -0.034 0.000 0.945 295 R HN 0.035 nan 8.270 nan 0.000 0.479 296 I N 1.570 122.106 120.570 -0.056 0.000 2.294 296 I HA 0.067 4.237 4.170 -0.000 0.000 0.295 296 I C 0.140 176.231 176.117 -0.043 0.000 1.098 296 I CA 0.334 61.597 61.300 -0.061 0.000 1.277 296 I CB 0.982 38.928 38.000 -0.089 0.000 1.434 296 I HN -0.032 nan 8.210 nan 0.000 0.498 297 T N 3.126 117.657 114.554 -0.039 0.000 2.693 297 T HA 0.354 4.703 4.350 -0.000 0.000 0.304 297 T C -0.764 173.912 174.700 -0.040 0.000 1.471 297 T CA -0.416 61.663 62.100 -0.035 0.000 0.993 297 T CB 1.716 70.569 68.868 -0.025 0.000 1.554 297 T HN 0.350 nan 8.240 nan 0.000 0.496 298 T N 2.258 116.786 114.554 -0.043 0.000 2.795 298 T HA 0.626 4.976 4.350 -0.000 0.000 0.282 298 T C 0.361 175.031 174.700 -0.050 0.000 0.980 298 T CA -0.514 61.559 62.100 -0.046 0.000 1.012 298 T CB 1.103 69.942 68.868 -0.048 0.000 0.936 298 T HN 0.839 nan 8.240 nan 0.000 0.457 299 T N -0.943 113.584 114.554 -0.045 0.000 2.844 299 T HA 0.673 5.023 4.350 -0.000 0.000 0.274 299 T C 1.515 176.188 174.700 -0.045 0.000 0.991 299 T CA -0.393 61.679 62.100 -0.047 0.000 0.983 299 T CB 0.651 69.496 68.868 -0.038 0.000 1.310 299 T HN 0.442 nan 8.240 nan 0.000 0.596 300 K N -0.349 120.025 120.400 -0.043 0.000 2.459 300 K HA 0.181 4.501 4.320 -0.000 0.000 0.193 300 K C 1.943 178.523 176.600 -0.034 0.000 1.030 300 K CA 0.566 56.830 56.287 -0.038 0.000 1.026 300 K CB -0.676 31.803 32.500 -0.036 0.000 0.809 300 K HN 0.499 nan 8.250 nan 0.000 0.504 301 K N -1.083 119.295 120.400 -0.036 0.000 2.284 301 K HA 0.192 4.512 4.320 -0.000 0.000 0.198 301 K C 0.942 177.521 176.600 -0.034 0.000 1.048 301 K CA 0.980 57.245 56.287 -0.036 0.000 0.987 301 K CB 0.975 33.449 32.500 -0.042 0.000 0.800 301 K HN 0.523 nan 8.250 nan 0.000 0.486 302 G N 0.039 108.819 108.800 -0.034 0.000 2.404 302 G HA2 0.119 4.079 3.960 -0.000 0.000 0.253 302 G HA3 0.119 4.079 3.960 -0.000 0.000 0.253 302 G C -1.559 173.320 174.900 -0.034 0.000 1.253 302 G CA -0.161 44.920 45.100 -0.032 0.000 0.917 302 G HN 0.107 nan 8.290 nan 0.000 0.480 303 S N -1.575 114.105 115.700 -0.033 0.000 2.537 303 S HA 0.723 5.192 4.470 -0.000 0.000 0.270 303 S C -1.289 173.292 174.600 -0.033 0.000 1.142 303 S CA -0.646 57.531 58.200 -0.039 0.000 0.870 303 S CB 1.856 65.024 63.200 -0.053 0.000 1.112 303 S HN 1.346 nan 8.310 nan 0.000 0.466 304 V N 2.102 121.994 119.914 -0.036 0.000 2.398 304 V HA 0.626 4.746 4.120 -0.000 0.000 0.286 304 V C -0.220 175.828 176.094 -0.077 0.000 1.026 304 V CA -0.274 62.001 62.300 -0.043 0.000 0.868 304 V CB 1.565 33.370 31.823 -0.029 0.000 0.982 304 V HN 1.043 nan 8.190 nan 0.000 0.443 305 T N 3.456 117.945 114.554 -0.107 0.000 2.786 305 T HA 0.377 4.727 4.350 -0.000 0.000 0.283 305 T C -0.199 174.376 174.700 -0.209 0.000 0.992 305 T CA -0.267 61.750 62.100 -0.139 0.000 0.954 305 T CB 1.482 70.275 68.868 -0.125 0.000 0.934 305 T HN 0.603 nan 8.240 nan 0.000 0.440 306 S N 2.298 117.869 115.700 -0.215 0.000 2.475 306 S HA 0.652 5.122 4.470 -0.000 0.000 0.298 306 S C -0.452 173.977 174.600 -0.285 0.000 1.119 306 S CA -0.583 57.459 58.200 -0.263 0.000 1.085 306 S CB 0.601 63.682 63.200 -0.197 0.000 1.028 306 S HN 0.478 nan 8.310 nan 0.000 0.489 307 V N 5.811 125.519 119.914 -0.342 0.000 2.384 307 V HA 0.466 4.586 4.120 -0.000 0.000 0.287 307 V C -0.530 175.556 176.094 -0.013 0.000 1.020 307 V CA -0.516 61.686 62.300 -0.164 0.000 0.850 307 V CB 1.427 33.214 31.823 -0.060 0.000 0.987 307 V HN 0.856 nan 8.190 nan 0.000 0.436 308 Q N 3.293 123.084 119.800 -0.016 0.000 2.310 308 Q HA 0.687 5.027 4.340 -0.000 0.000 0.270 308 Q C -0.361 175.627 176.000 -0.021 0.000 1.025 308 Q CA -0.588 55.201 55.803 -0.023 0.000 0.772 308 Q CB 2.528 31.228 28.738 -0.062 0.000 1.253 308 Q HN 0.853 nan 8.270 nan 0.000 0.450 309 A N 2.509 125.338 122.820 0.014 0.000 2.409 309 A HA 0.439 4.758 4.320 -0.000 0.000 0.267 309 A C -0.176 177.387 177.584 -0.034 0.000 1.127 309 A CA -0.272 51.759 52.037 -0.009 0.000 0.795 309 A CB 0.353 19.395 19.000 0.070 0.000 1.061 309 A HN 0.496 nan 8.150 nan 0.000 0.502 310 V N 4.043 123.849 119.914 -0.180 0.000 2.350 310 V HA 0.203 4.323 4.120 -0.000 0.000 0.285 310 V C -0.530 175.553 176.094 -0.018 0.000 1.014 310 V CA -0.474 61.755 62.300 -0.119 0.000 0.831 310 V CB 0.655 32.296 31.823 -0.303 0.000 1.000 310 V HN 0.796 nan 8.190 nan 0.000 0.433 311 Y N 4.724 125.022 120.300 -0.003 0.000 2.304 311 Y HA 0.558 5.107 4.550 -0.000 0.000 0.328 311 Y C -0.070 175.714 175.900 -0.194 0.000 1.123 311 Y CA -0.227 57.810 58.100 -0.106 0.000 1.218 311 Y CB 1.541 39.890 38.460 -0.184 0.000 1.207 311 Y HN 0.395 nan 8.280 nan 0.000 0.495 312 V N 8.982 128.379 119.914 -0.862 0.000 2.326 312 V HA 0.305 4.425 4.120 -0.000 0.000 0.281 312 V C -2.222 173.435 176.094 -0.728 0.000 1.015 312 V CA -2.090 59.883 62.300 -0.545 0.000 0.823 312 V CB 0.954 32.689 31.823 -0.148 0.000 1.009 312 V HN 0.728 nan 8.190 nan 0.000 0.436 313 P HA 0.133 nan 4.420 nan 0.000 0.266 313 P C 0.683 177.931 177.300 -0.086 0.000 1.195 313 P CA 0.586 63.602 63.100 -0.139 0.000 0.768 313 P CB 0.658 32.380 31.700 0.037 0.000 0.838 314 A N 3.072 125.880 122.820 -0.019 0.000 2.765 314 A HA -0.282 4.038 4.320 -0.000 0.000 0.286 314 A C 0.897 178.460 177.584 -0.034 0.000 1.457 314 A CA 1.305 53.339 52.037 -0.005 0.000 0.899 314 A CB -2.464 16.548 19.000 0.021 0.000 0.983 314 A HN 0.680 nan 8.150 nan 0.000 0.584 315 D N -1.144 119.204 120.400 -0.088 0.000 2.792 315 D HA -0.192 4.448 4.640 -0.000 0.000 0.231 315 D C -0.187 176.091 176.300 -0.037 0.000 1.160 315 D CA 1.947 55.900 54.000 -0.077 0.000 0.697 315 D CB -0.736 40.033 40.800 -0.051 0.000 1.070 315 D HN 0.901 nan 8.370 nan 0.000 0.426 316 D N 0.220 120.600 120.400 -0.033 0.000 2.329 316 D HA 0.237 4.877 4.640 -0.000 0.000 0.232 316 D C 1.312 177.615 176.300 0.005 0.000 1.088 316 D CA -0.523 53.475 54.000 -0.003 0.000 0.835 316 D CB 0.819 41.625 40.800 0.010 0.000 1.078 316 D HN 0.070 nan 8.370 nan 0.000 0.495 317 L N 2.647 123.892 121.223 0.037 0.000 2.418 317 L HA -0.041 4.298 4.340 -0.000 0.000 0.218 317 L C 2.161 179.062 176.870 0.053 0.000 1.125 317 L CA 1.015 55.908 54.840 0.089 0.000 0.835 317 L CB -0.067 42.074 42.059 0.136 0.000 0.953 317 L HN 0.521 nan 8.230 nan 0.000 0.454 318 T N -4.540 110.033 114.554 0.032 0.000 3.113 318 T HA -0.080 4.270 4.350 -0.000 0.000 0.256 318 T C 0.795 175.499 174.700 0.007 0.000 1.131 318 T CA -0.314 61.800 62.100 0.022 0.000 1.074 318 T CB -0.274 68.611 68.868 0.027 0.000 0.944 318 T HN 0.167 nan 8.240 nan 0.000 0.516 319 D N 2.703 123.106 120.400 0.004 0.000 2.493 319 D HA 0.037 4.677 4.640 -0.000 0.000 0.240 319 D C -1.451 174.823 176.300 -0.042 0.000 1.142 319 D CA -1.501 52.517 54.000 0.031 0.000 0.872 319 D CB 1.545 42.383 40.800 0.064 0.000 1.173 319 D HN 0.021 nan 8.370 nan 0.000 0.467 320 P HA -0.222 nan 4.420 nan 0.000 0.218 320 P C 0.913 177.993 177.300 -0.367 0.000 1.154 320 P CA 2.060 65.044 63.100 -0.194 0.000 0.872 320 P CB 0.110 31.687 31.700 -0.205 0.000 0.790 321 A N -0.060 122.459 122.820 -0.502 0.000 1.835 321 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 321 A C 0.000 177.439 177.584 -0.242 0.000 1.199 321 A CA 2.416 54.241 52.037 -0.353 0.000 0.615 321 A CB -2.279 16.728 19.000 0.012 0.000 0.838 321 A HN 0.227 nan 8.150 nan 0.000 0.444 322 P HA -0.082 nan 4.420 nan 0.000 0.217 322 P C 1.619 178.433 177.300 -0.810 0.000 1.151 322 P CA 1.898 64.537 63.100 -0.768 0.000 0.828 322 P CB -0.218 30.973 31.700 -0.850 0.000 0.788 323 A N 0.108 122.690 122.820 -0.397 0.000 1.883 323 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 323 A C 2.355 179.878 177.584 -0.103 0.000 1.186 323 A CA 2.652 54.583 52.037 -0.178 0.000 0.624 323 A CB -2.020 16.933 19.000 -0.079 0.000 0.822 323 A HN 0.196 nan 8.150 nan 0.000 0.444 324 T N -0.335 114.150 114.554 -0.116 0.000 2.867 324 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 324 T C 1.933 176.675 174.700 0.071 0.000 1.057 324 T CA 1.864 63.951 62.100 -0.022 0.000 1.136 324 T CB -0.392 68.447 68.868 -0.049 0.000 0.874 324 T HN 0.619 nan 8.240 nan 0.000 0.466 325 T N 1.729 116.275 114.554 -0.015 0.000 2.851 325 T HA 0.054 4.404 4.350 -0.000 0.000 0.262 325 T C 1.502 176.369 174.700 0.278 0.000 1.043 325 T CA 0.587 62.748 62.100 0.102 0.000 1.140 325 T CB -0.346 68.531 68.868 0.015 0.000 0.872 325 T HN 0.237 nan 8.240 nan 0.000 0.446 326 F N 2.123 122.134 119.950 0.102 0.000 2.269 326 F HA 0.150 4.677 4.527 -0.000 0.000 0.301 326 F C 2.644 178.475 175.800 0.051 0.000 1.082 326 F CA -0.318 57.735 58.000 0.088 0.000 1.360 326 F CB -1.457 37.591 39.000 0.081 0.000 1.041 326 F HN 0.171 nan 8.300 nan 0.000 0.512 327 A N -0.908 122.030 122.820 0.197 0.000 2.024 327 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 327 A C 1.897 179.436 177.584 -0.076 0.000 1.164 327 A CA 1.686 53.735 52.037 0.019 0.000 0.643 327 A CB -0.855 18.102 19.000 -0.071 0.000 0.806 327 A HN 0.452 nan 8.150 nan 0.000 0.451 328 H N -1.600 117.522 119.070 0.086 0.000 2.622 328 H HA 0.317 4.872 4.556 -0.000 0.000 0.269 328 H C -0.062 175.290 175.328 0.039 0.000 0.977 328 H CA -0.084 55.992 56.048 0.048 0.000 1.179 328 H CB 0.181 29.961 29.762 0.031 0.000 1.458 328 H HN 0.319 nan 8.280 nan 0.000 0.531 329 L N 1.333 122.656 121.223 0.166 0.000 2.350 329 L HA 0.089 4.429 4.340 -0.000 0.000 0.275 329 L C 0.935 177.827 176.870 0.037 0.000 1.099 329 L CA -0.169 54.728 54.840 0.095 0.000 0.808 329 L CB 1.191 43.322 42.059 0.121 0.000 1.149 329 L HN 0.030 nan 8.230 nan 0.000 0.442 330 D N 1.464 121.864 120.400 0.000 0.000 2.380 330 D HA 0.217 4.857 4.640 -0.000 0.000 0.212 330 D C 0.288 176.580 176.300 -0.014 0.000 1.021 330 D CA 0.515 54.509 54.000 -0.011 0.000 0.884 330 D CB 1.095 41.882 40.800 -0.022 0.000 1.001 330 D HN 0.557 nan 8.370 nan 0.000 0.506 331 A N 0.412 123.215 122.820 -0.028 0.000 2.587 331 A HA 0.584 4.904 4.320 -0.000 0.000 0.293 331 A C -0.574 177.019 177.584 0.015 0.000 1.087 331 A CA -0.597 51.440 52.037 -0.000 0.000 0.692 331 A CB 1.593 20.615 19.000 0.038 0.000 1.291 331 A HN -0.022 nan 8.150 nan 0.000 0.407 332 T N -0.987 113.599 114.554 0.054 0.000 2.829 332 T HA 0.704 5.054 4.350 -0.000 0.000 0.280 332 T C -0.456 174.349 174.700 0.175 0.000 0.999 332 T CA -0.490 61.689 62.100 0.132 0.000 0.983 332 T CB 1.432 70.325 68.868 0.042 0.000 0.968 332 T HN 0.507 nan 8.240 nan 0.000 0.446 333 T N 2.863 117.567 114.554 0.250 0.000 2.788 333 T HA 0.482 4.832 4.350 -0.000 0.000 0.296 333 T C -0.270 174.541 174.700 0.185 0.000 1.009 333 T CA -0.530 61.697 62.100 0.213 0.000 0.949 333 T CB 0.724 69.763 68.868 0.285 0.000 0.946 333 T HN 0.622 nan 8.240 nan 0.000 0.453 334 V N 6.004 125.967 119.914 0.082 0.000 2.333 334 V HA 0.405 4.524 4.120 -0.000 0.000 0.274 334 V C 0.068 176.152 176.094 -0.017 0.000 1.028 334 V CA -0.738 61.596 62.300 0.056 0.000 0.851 334 V CB 0.786 32.568 31.823 -0.068 0.000 1.000 334 V HN 0.739 nan 8.190 nan 0.000 0.456 335 L N 3.832 125.051 121.223 -0.007 0.000 2.325 335 L HA 0.676 5.016 4.340 -0.000 0.000 0.279 335 L C 0.265 177.116 176.870 -0.033 0.000 1.054 335 L CA 0.025 54.825 54.840 -0.065 0.000 0.804 335 L CB 1.862 43.873 42.059 -0.080 0.000 1.200 335 L HN 0.664 nan 8.230 nan 0.000 0.436 336 S N 1.532 117.194 115.700 -0.064 0.000 2.619 336 S HA 0.362 4.832 4.470 -0.000 0.000 0.280 336 S C 0.625 175.185 174.600 -0.065 0.000 1.150 336 S CA -0.727 57.441 58.200 -0.053 0.000 0.978 336 S CB 1.621 64.786 63.200 -0.058 0.000 1.041 336 S HN 0.658 nan 8.310 nan 0.000 0.485 337 R N 2.625 123.103 120.500 -0.037 0.000 2.152 337 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 337 R C 2.060 178.335 176.300 -0.041 0.000 1.117 337 R CA 1.482 57.562 56.100 -0.032 0.000 0.981 337 R CB -0.530 29.766 30.300 -0.006 0.000 0.870 337 R HN 0.786 nan 8.270 nan 0.000 0.451 338 G N 1.022 109.798 108.800 -0.040 0.000 2.403 338 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 338 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 338 G C 1.397 176.269 174.900 -0.046 0.000 1.154 338 G CA 0.093 45.172 45.100 -0.035 0.000 0.784 338 G HN 0.068 nan 8.290 nan 0.000 0.538 339 I N 2.387 122.914 120.570 -0.072 0.000 2.202 339 I HA -0.138 4.032 4.170 -0.000 0.000 0.242 339 I C 3.091 179.119 176.117 -0.148 0.000 1.091 339 I CA 1.825 63.069 61.300 -0.094 0.000 1.368 339 I CB -1.221 36.712 38.000 -0.113 0.000 1.058 339 I HN 0.342 nan 8.210 nan 0.000 0.410 340 S N 0.309 115.876 115.700 -0.222 0.000 2.428 340 S HA -0.102 4.368 4.470 -0.000 0.000 0.230 340 S C 1.605 176.136 174.600 -0.114 0.000 1.014 340 S CA 0.589 58.579 58.200 -0.351 0.000 0.957 340 S CB -0.522 62.391 63.200 -0.479 0.000 0.784 340 S HN 0.492 nan 8.310 nan 0.000 0.499 341 E N 0.798 120.970 120.200 -0.047 0.000 2.478 341 E HA 0.144 4.494 4.350 -0.000 0.000 0.198 341 E C 0.903 177.523 176.600 0.033 0.000 1.046 341 E CA 0.346 56.753 56.400 0.012 0.000 0.870 341 E CB -0.196 29.510 29.700 0.009 0.000 0.818 341 E HN 0.570 nan 8.360 nan 0.000 0.527 342 L N -0.403 120.835 121.223 0.025 0.000 2.700 342 L HA 0.237 4.577 4.340 -0.000 0.000 0.234 342 L C 1.142 178.087 176.870 0.126 0.000 1.156 342 L CA 0.038 54.920 54.840 0.070 0.000 0.946 342 L CB 0.170 42.268 42.059 0.064 0.000 1.216 342 L HN 0.196 nan 8.230 nan 0.000 0.493 343 G N 0.885 109.758 108.800 0.123 0.000 2.153 343 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 343 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 343 G C 0.255 175.263 174.900 0.180 0.000 0.994 343 G CA -0.195 45.052 45.100 0.245 0.000 0.698 343 G HN 0.224 nan 8.290 nan 0.000 0.521 344 I N 0.538 121.087 120.570 -0.036 0.000 2.312 344 I HA 0.453 4.623 4.170 -0.000 0.000 0.291 344 I C -0.246 175.696 176.117 -0.291 0.000 1.031 344 I CA -0.716 60.504 61.300 -0.134 0.000 1.293 344 I CB 0.298 38.241 38.000 -0.095 0.000 1.403 344 I HN 0.058 nan 8.210 nan 0.000 0.484 345 Y N 7.498 127.694 120.300 -0.174 0.000 2.373 345 Y HA 0.380 4.930 4.550 -0.000 0.000 0.336 345 Y C -2.083 173.626 175.900 -0.319 0.000 0.979 345 Y CA -2.204 55.780 58.100 -0.194 0.000 1.080 345 Y CB 2.225 40.582 38.460 -0.172 0.000 1.190 345 Y HN 0.419 nan 8.280 nan 0.000 0.446 346 P HA 0.069 nan 4.420 nan 0.000 0.269 346 P C -0.408 176.818 177.300 -0.123 0.000 1.215 346 P CA -0.131 62.955 63.100 -0.023 0.000 0.780 346 P CB 1.006 32.829 31.700 0.206 0.000 0.898 347 A N 2.709 125.414 122.820 -0.192 0.000 3.019 347 A HA 0.256 4.576 4.320 -0.000 0.000 0.262 347 A C 0.307 177.790 177.584 -0.168 0.000 1.509 347 A CA -0.308 51.566 52.037 -0.273 0.000 1.159 347 A CB -1.098 17.696 19.000 -0.343 0.000 1.042 347 A HN 0.340 nan 8.150 nan 0.000 0.641 348 V N 1.348 121.187 119.914 -0.125 0.000 2.432 348 V HA 0.092 4.212 4.120 -0.000 0.000 0.271 348 V C 0.174 176.227 176.094 -0.069 0.000 1.046 348 V CA -0.697 61.544 62.300 -0.098 0.000 0.945 348 V CB 1.246 33.036 31.823 -0.055 0.000 0.992 348 V HN 0.579 nan 8.190 nan 0.000 0.471 349 D N 8.459 128.821 120.400 -0.064 0.000 2.342 349 D HA 0.132 4.772 4.640 -0.000 0.000 0.260 349 D C -1.274 175.001 176.300 -0.041 0.000 1.278 349 D CA -1.784 52.185 54.000 -0.052 0.000 0.910 349 D CB 1.842 42.607 40.800 -0.058 0.000 1.079 349 D HN 0.284 nan 8.370 nan 0.000 0.496 350 P HA -0.039 nan 4.420 nan 0.000 0.233 350 P C 1.330 178.610 177.300 -0.033 0.000 1.167 350 P CA 0.510 63.592 63.100 -0.030 0.000 0.770 350 P CB 0.469 32.156 31.700 -0.021 0.000 0.837 351 L N -1.355 119.848 121.223 -0.033 0.000 2.515 351 L HA 0.150 4.489 4.340 -0.000 0.000 0.223 351 L C 1.797 178.634 176.870 -0.055 0.000 1.079 351 L CA 0.555 55.372 54.840 -0.038 0.000 0.857 351 L CB -0.387 41.654 42.059 -0.029 0.000 1.050 351 L HN -0.158 nan 8.230 nan 0.000 0.476 352 D N -0.179 120.181 120.400 -0.067 0.000 2.216 352 D HA 0.002 4.642 4.640 -0.000 0.000 0.208 352 D C 0.753 176.986 176.300 -0.112 0.000 0.960 352 D CA 0.507 54.446 54.000 -0.102 0.000 0.861 352 D CB 0.327 41.059 40.800 -0.114 0.000 0.985 352 D HN -0.019 nan 8.370 nan 0.000 0.493 353 S N 0.876 116.535 115.700 -0.069 0.000 2.510 353 S HA 0.268 4.737 4.470 -0.000 0.000 0.279 353 S C 0.162 174.748 174.600 -0.024 0.000 1.284 353 S CA -0.016 58.163 58.200 -0.035 0.000 1.059 353 S CB 1.038 64.246 63.200 0.014 0.000 0.901 353 S HN 0.031 nan 8.310 nan 0.000 0.491 354 K N 1.268 121.653 120.400 -0.024 0.000 2.435 354 K HA 0.635 4.955 4.320 -0.000 0.000 0.251 354 K C -0.883 175.725 176.600 0.013 0.000 0.954 354 K CA -0.660 55.617 56.287 -0.017 0.000 0.820 354 K CB 2.076 34.545 32.500 -0.051 0.000 1.292 354 K HN 0.496 nan 8.250 nan 0.000 0.436 355 S N 0.878 116.592 115.700 0.023 0.000 2.619 355 S HA 0.304 4.774 4.470 -0.000 0.000 0.280 355 S C -0.157 174.457 174.600 0.023 0.000 1.150 355 S CA -0.746 57.475 58.200 0.036 0.000 0.978 355 S CB 1.002 64.243 63.200 0.069 0.000 1.041 355 S HN 0.559 nan 8.310 nan 0.000 0.485 356 R N 3.257 123.764 120.500 0.011 0.000 2.328 356 R HA 0.240 4.580 4.340 -0.000 0.000 0.207 356 R C 1.231 177.533 176.300 0.004 0.000 1.056 356 R CA 0.626 56.729 56.100 0.005 0.000 1.016 356 R CB -0.563 29.735 30.300 -0.004 0.000 0.872 356 R HN 0.653 nan 8.270 nan 0.000 0.471 357 L N -0.352 120.875 121.223 0.007 0.000 2.607 357 L HA 0.178 4.518 4.340 -0.000 0.000 0.228 357 L C 0.361 177.222 176.870 -0.014 0.000 1.123 357 L CA -0.111 54.724 54.840 -0.008 0.000 0.890 357 L CB -0.257 41.797 42.059 -0.007 0.000 1.103 357 L HN 0.118 nan 8.230 nan 0.000 0.468 358 L N 1.795 123.032 121.223 0.024 0.000 2.376 358 L HA 0.203 4.543 4.340 -0.000 0.000 0.250 358 L C -0.481 176.495 176.870 0.176 0.000 1.335 358 L CA 0.563 55.447 54.840 0.074 0.000 1.214 358 L CB -0.666 41.448 42.059 0.092 0.000 1.395 358 L HN 0.005 nan 8.230 nan 0.000 0.424 359 D N 1.400 121.840 120.400 0.067 0.000 2.879 359 D HA 0.391 5.031 4.640 -0.000 0.000 0.236 359 D C 0.709 176.932 176.300 -0.128 0.000 1.171 359 D CA 0.148 54.099 54.000 -0.080 0.000 0.868 359 D CB 2.302 43.053 40.800 -0.081 0.000 1.598 359 D HN 0.269 nan 8.370 nan 0.000 0.497 360 A N 3.116 125.730 122.820 -0.344 0.000 1.892 360 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 360 A C 1.963 179.488 177.584 -0.098 0.000 1.188 360 A CA 2.311 54.239 52.037 -0.182 0.000 0.631 360 A CB -0.747 18.096 19.000 -0.262 0.000 0.822 360 A HN 0.661 nan 8.150 nan 0.000 0.447 361 A N -1.223 121.527 122.820 -0.116 0.000 2.172 361 A HA 0.185 4.504 4.320 -0.000 0.000 0.216 361 A C 1.983 179.534 177.584 -0.055 0.000 1.154 361 A CA 1.655 53.649 52.037 -0.073 0.000 0.701 361 A CB -0.365 18.591 19.000 -0.073 0.000 0.789 361 A HN 0.384 nan 8.150 nan 0.000 0.465 362 V N -0.924 118.953 119.914 -0.061 0.000 2.690 362 V HA -0.067 4.053 4.120 -0.000 0.000 0.240 362 V C 2.324 178.381 176.094 -0.061 0.000 1.078 362 V CA 1.455 63.722 62.300 -0.054 0.000 1.102 362 V CB 0.376 32.166 31.823 -0.054 0.000 0.800 362 V HN 0.491 nan 8.190 nan 0.000 0.479 363 V N -1.489 118.372 119.914 -0.088 0.000 3.506 363 V HA 0.676 4.796 4.120 -0.000 0.000 0.263 363 V C 0.878 176.965 176.094 -0.012 0.000 1.203 363 V CA 0.404 62.623 62.300 -0.136 0.000 1.133 363 V CB -0.654 30.896 31.823 -0.455 0.000 0.802 363 V HN 0.841 nan 8.190 nan 0.000 0.459 364 G N 0.461 109.271 108.800 0.016 0.000 2.719 364 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.686 364 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.686 364 G C -0.156 174.809 174.900 0.108 0.000 1.201 364 G CA 0.230 45.363 45.100 0.056 0.000 0.768 364 G HN 0.470 nan 8.290 nan 0.000 0.629 365 Q N 0.125 119.978 119.800 0.089 0.000 2.045 365 Q HA -0.130 4.210 4.340 -0.000 0.000 0.206 365 Q C 2.365 178.469 176.000 0.173 0.000 0.991 365 Q CA 2.927 58.803 55.803 0.123 0.000 0.851 365 Q CB -0.302 28.484 28.738 0.080 0.000 0.911 365 Q HN 0.797 nan 8.270 nan 0.000 0.418 366 E N -1.038 119.243 120.200 0.135 0.000 2.033 366 E HA -0.288 4.062 4.350 -0.000 0.000 0.199 366 E C 1.996 178.686 176.600 0.151 0.000 1.011 366 E CA 1.428 57.900 56.400 0.121 0.000 0.815 366 E CB -0.364 29.392 29.700 0.093 0.000 0.755 366 E HN 0.540 nan 8.360 nan 0.000 0.451 367 H N -0.172 118.939 119.070 0.068 0.000 2.289 367 H HA -0.225 4.330 4.556 -0.000 0.000 0.296 367 H C 2.036 177.394 175.328 0.050 0.000 1.091 367 H CA 2.188 58.265 56.048 0.049 0.000 1.274 367 H CB -0.737 29.055 29.762 0.050 0.000 1.364 367 H HN 0.299 nan 8.280 nan 0.000 0.490 368 Y N 1.689 122.121 120.300 0.220 0.000 2.128 368 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 368 Y C 2.227 178.181 175.900 0.089 0.000 1.154 368 Y CA 2.152 60.327 58.100 0.125 0.000 1.149 368 Y CB -0.362 38.126 38.460 0.047 0.000 0.976 368 Y HN 0.210 nan 8.280 nan 0.000 0.505 369 D N -0.487 119.969 120.400 0.093 0.000 2.092 369 D HA -0.200 4.440 4.640 -0.000 0.000 0.193 369 D C 2.463 178.721 176.300 -0.070 0.000 0.994 369 D CA 1.885 55.887 54.000 0.004 0.000 0.828 369 D CB -0.676 40.175 40.800 0.086 0.000 0.963 369 D HN 0.299 nan 8.370 nan 0.000 0.450 370 V N 1.492 121.388 119.914 -0.030 0.000 2.287 370 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 370 V C 2.515 178.542 176.094 -0.111 0.000 1.053 370 V CA 1.964 64.236 62.300 -0.047 0.000 1.027 370 V CB -0.914 30.887 31.823 -0.038 0.000 0.646 370 V HN 0.210 nan 8.190 nan 0.000 0.447 371 A N 0.184 122.919 122.820 -0.141 0.000 1.869 371 A HA -0.291 4.028 4.320 -0.000 0.000 0.218 371 A C 2.471 179.930 177.584 -0.208 0.000 1.203 371 A CA 2.849 54.786 52.037 -0.166 0.000 0.638 371 A CB -1.025 17.928 19.000 -0.078 0.000 0.831 371 A HN 0.580 nan 8.150 nan 0.000 0.450 372 S N -0.145 115.356 115.700 -0.332 0.000 2.370 372 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 372 S C 1.943 176.456 174.600 -0.144 0.000 1.033 372 S CA 1.476 59.499 58.200 -0.295 0.000 1.011 372 S CB -0.281 62.663 63.200 -0.427 0.000 0.852 372 S HN 0.561 nan 8.310 nan 0.000 0.457 373 K N 0.819 121.154 120.400 -0.109 0.000 2.097 373 K HA -0.013 4.307 4.320 -0.000 0.000 0.205 373 K C 2.147 178.731 176.600 -0.027 0.000 1.050 373 K CA 0.981 57.240 56.287 -0.047 0.000 0.938 373 K CB -0.489 32.000 32.500 -0.020 0.000 0.718 373 K HN 0.222 nan 8.250 nan 0.000 0.442 374 V N 1.783 121.676 119.914 -0.036 0.000 2.255 374 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 374 V C 2.342 178.424 176.094 -0.020 0.000 1.051 374 V CA 1.792 64.084 62.300 -0.013 0.000 1.018 374 V CB -0.513 31.275 31.823 -0.059 0.000 0.641 374 V HN 0.392 nan 8.190 nan 0.000 0.445 375 Q N -0.721 119.050 119.800 -0.049 0.000 2.061 375 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 375 Q C 2.450 178.442 176.000 -0.013 0.000 0.984 375 Q CA 1.642 57.423 55.803 -0.036 0.000 0.846 375 Q CB -0.253 28.451 28.738 -0.056 0.000 0.902 375 Q HN 0.590 nan 8.270 nan 0.000 0.421 376 E N -0.022 120.167 120.200 -0.018 0.000 2.085 376 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 376 E C 2.047 178.658 176.600 0.018 0.000 0.994 376 E CA 1.687 58.085 56.400 -0.002 0.000 0.801 376 E CB -0.028 29.668 29.700 -0.007 0.000 0.743 376 E HN 0.397 nan 8.360 nan 0.000 0.453 377 T N 1.648 116.213 114.554 0.018 0.000 2.643 377 T HA -0.138 4.212 4.350 -0.000 0.000 0.264 377 T C 2.141 176.882 174.700 0.068 0.000 1.045 377 T CA 0.945 63.062 62.100 0.029 0.000 1.155 377 T CB -0.388 68.487 68.868 0.011 0.000 0.863 377 T HN 0.109 nan 8.240 nan 0.000 0.420 378 L N 0.667 121.930 121.223 0.068 0.000 2.191 378 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 378 L C 2.809 179.751 176.870 0.119 0.000 1.103 378 L CA 1.081 55.994 54.840 0.121 0.000 0.769 378 L CB -0.307 41.799 42.059 0.077 0.000 0.908 378 L HN 0.235 nan 8.230 nan 0.000 0.438 379 Q N -0.394 119.445 119.800 0.065 0.000 2.033 379 Q HA -0.140 4.199 4.340 -0.000 0.000 0.196 379 Q C 2.195 178.223 176.000 0.047 0.000 0.970 379 Q CA 2.264 58.090 55.803 0.037 0.000 0.828 379 Q CB -0.286 28.460 28.738 0.013 0.000 0.895 379 Q HN 0.507 nan 8.270 nan 0.000 0.440 380 T N -1.152 113.438 114.554 0.060 0.000 2.849 380 T HA -0.190 4.159 4.350 -0.000 0.000 0.270 380 T C 1.585 176.350 174.700 0.110 0.000 1.066 380 T CA 1.314 63.451 62.100 0.063 0.000 1.130 380 T CB -0.653 68.247 68.868 0.053 0.000 0.864 380 T HN 0.369 nan 8.240 nan 0.000 0.481 381 Y N 2.257 122.554 120.300 -0.005 0.000 2.242 381 Y HA 0.121 4.671 4.550 -0.000 0.000 0.291 381 Y C 2.397 178.294 175.900 -0.004 0.000 1.137 381 Y CA 0.873 58.972 58.100 -0.003 0.000 1.181 381 Y CB -0.406 38.053 38.460 -0.001 0.000 0.989 381 Y HN 0.125 nan 8.280 nan 0.000 0.527 382 K N -0.188 120.156 120.400 -0.093 0.000 2.103 382 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 382 K C 2.299 178.811 176.600 -0.146 0.000 1.048 382 K CA 1.753 57.934 56.287 -0.176 0.000 0.930 382 K CB -0.251 32.203 32.500 -0.077 0.000 0.716 382 K HN 0.440 nan 8.250 nan 0.000 0.444 383 S N -0.227 115.428 115.700 -0.076 0.000 2.458 383 S HA 0.018 4.488 4.470 -0.000 0.000 0.223 383 S C 1.722 176.292 174.600 -0.050 0.000 1.019 383 S CA 0.204 58.372 58.200 -0.053 0.000 0.937 383 S CB -0.136 63.050 63.200 -0.023 0.000 0.788 383 S HN 0.285 nan 8.310 nan 0.000 0.511 384 L N 1.117 122.317 121.223 -0.038 0.000 2.599 384 L HA 0.140 4.480 4.340 -0.000 0.000 0.230 384 L C 2.683 179.523 176.870 -0.050 0.000 1.141 384 L CA 0.203 55.037 54.840 -0.009 0.000 0.877 384 L CB -0.364 41.731 42.059 0.061 0.000 1.009 384 L HN 0.347 nan 8.230 nan 0.000 0.447 385 Q N 0.185 119.891 119.800 -0.155 0.000 2.079 385 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 385 Q C 1.397 177.341 176.000 -0.094 0.000 0.974 385 Q CA 1.312 57.004 55.803 -0.186 0.000 0.840 385 Q CB -0.060 28.500 28.738 -0.298 0.000 0.898 385 Q HN 0.572 nan 8.270 nan 0.000 0.430 386 D N 1.134 121.487 120.400 -0.078 0.000 2.097 386 D HA -0.150 4.490 4.640 -0.000 0.000 0.195 386 D C 2.118 178.399 176.300 -0.030 0.000 0.989 386 D CA 1.344 55.315 54.000 -0.050 0.000 0.827 386 D CB -0.241 40.533 40.800 -0.043 0.000 0.966 386 D HN 0.415 nan 8.370 nan 0.000 0.456 387 I N -1.098 119.459 120.570 -0.022 0.000 2.353 387 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 387 I C 2.151 178.266 176.117 -0.003 0.000 1.119 387 I CA 0.614 61.908 61.300 -0.009 0.000 1.417 387 I CB -0.364 37.635 38.000 -0.003 0.000 1.078 387 I HN -0.176 nan 8.210 nan 0.000 0.421 388 I N 2.784 123.353 120.570 -0.001 0.000 2.208 388 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 388 I C 2.823 178.942 176.117 0.003 0.000 1.097 388 I CA 1.714 63.019 61.300 0.009 0.000 1.363 388 I CB -1.687 36.328 38.000 0.025 0.000 1.051 388 I HN 0.343 nan 8.210 nan 0.000 0.413 389 A N -0.270 122.545 122.820 -0.009 0.000 2.239 389 A HA 0.047 4.367 4.320 -0.000 0.000 0.209 389 A C 2.172 179.752 177.584 -0.007 0.000 1.171 389 A CA 0.836 52.867 52.037 -0.010 0.000 0.768 389 A CB -0.462 18.525 19.000 -0.021 0.000 0.790 389 A HN 0.473 nan 8.150 nan 0.000 0.478 390 I N -2.746 117.821 120.570 -0.005 0.000 3.873 390 I HA 0.106 4.276 4.170 -0.000 0.000 0.284 390 I C 1.911 178.028 176.117 -0.000 0.000 1.186 390 I CA 0.300 61.597 61.300 -0.004 0.000 1.362 390 I CB 0.084 38.080 38.000 -0.005 0.000 1.432 390 I HN 0.174 nan 8.210 nan 0.000 0.454 391 L N 0.298 121.522 121.223 0.002 0.000 2.286 391 L HA 0.422 4.762 4.340 -0.000 0.000 0.203 391 L C 0.820 177.694 176.870 0.007 0.000 1.068 391 L CA 0.580 55.423 54.840 0.004 0.000 0.811 391 L CB 0.111 42.173 42.059 0.005 0.000 0.989 391 L HN 0.389 nan 8.230 nan 0.000 0.467 392 G N -1.126 107.680 108.800 0.010 0.000 2.663 392 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.686 392 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.686 392 G C 0.209 175.120 174.900 0.017 0.000 1.246 392 G CA -0.295 44.814 45.100 0.014 0.000 0.795 392 G HN -0.094 nan 8.290 nan 0.000 0.627 393 M N 0.268 119.881 119.600 0.022 0.000 2.260 393 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 393 M C 1.989 178.301 176.300 0.019 0.000 1.066 393 M CA 2.333 57.648 55.300 0.026 0.000 1.082 393 M CB -0.827 31.790 32.600 0.029 0.000 1.388 393 M HN 0.680 nan 8.290 nan 0.000 0.419 394 D N 0.649 121.058 120.400 0.015 0.000 2.280 394 D HA -0.134 4.506 4.640 -0.000 0.000 0.206 394 D C 0.608 176.915 176.300 0.011 0.000 0.988 394 D CA 1.036 55.043 54.000 0.011 0.000 0.886 394 D CB -0.041 40.765 40.800 0.009 0.000 0.914 394 D HN 0.253 nan 8.370 nan 0.000 0.473 395 E N 0.449 120.657 120.200 0.012 0.000 2.206 395 E HA 0.365 4.715 4.350 -0.000 0.000 0.244 395 E C -0.286 176.322 176.600 0.014 0.000 1.055 395 E CA -0.104 56.303 56.400 0.011 0.000 0.970 395 E CB 0.355 30.061 29.700 0.009 0.000 1.256 395 E HN 0.253 nan 8.360 nan 0.000 0.456 396 L N 0.382 121.614 121.223 0.015 0.000 2.653 396 L HA 0.199 4.539 4.340 -0.000 0.000 0.257 396 L C 0.101 176.980 176.870 0.014 0.000 0.969 396 L CA -0.741 54.109 54.840 0.017 0.000 0.869 396 L CB 2.132 44.205 42.059 0.024 0.000 1.439 396 L HN 0.237 nan 8.230 nan 0.000 0.414 397 S N -0.241 115.468 115.700 0.014 0.000 2.608 397 S HA 0.198 4.668 4.470 -0.000 0.000 0.261 397 S C 0.793 175.400 174.600 0.012 0.000 1.314 397 S CA -0.574 57.633 58.200 0.012 0.000 0.992 397 S CB 1.075 64.281 63.200 0.011 0.000 0.935 397 S HN 0.656 nan 8.310 nan 0.000 0.564 398 E N 0.692 120.898 120.200 0.009 0.000 2.051 398 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 398 E C 1.851 178.456 176.600 0.008 0.000 0.991 398 E CA 1.041 57.446 56.400 0.008 0.000 0.799 398 E CB -0.543 29.160 29.700 0.006 0.000 0.748 398 E HN 0.708 nan 8.360 nan 0.000 0.449 399 Q N 0.571 120.376 119.800 0.009 0.000 2.224 399 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 399 Q C 1.506 177.513 176.000 0.012 0.000 0.970 399 Q CA 0.964 56.772 55.803 0.009 0.000 0.865 399 Q CB 0.061 28.804 28.738 0.009 0.000 0.922 399 Q HN 0.259 nan 8.270 nan 0.000 0.445 400 D N 0.465 120.874 120.400 0.017 0.000 2.091 400 D HA -0.136 4.503 4.640 -0.000 0.000 0.199 400 D C 1.725 178.040 176.300 0.025 0.000 0.980 400 D CA 1.265 55.280 54.000 0.025 0.000 0.831 400 D CB -0.027 40.790 40.800 0.029 0.000 0.987 400 D HN 0.400 nan 8.370 nan 0.000 0.460 401 K N 0.464 120.876 120.400 0.020 0.000 2.442 401 K HA -0.070 4.249 4.320 -0.000 0.000 0.198 401 K C 1.929 178.532 176.600 0.005 0.000 1.042 401 K CA 0.670 56.967 56.287 0.018 0.000 0.958 401 K CB -0.047 32.463 32.500 0.017 0.000 0.766 401 K HN 0.075 nan 8.250 nan 0.000 0.474 402 L N 1.714 122.937 121.223 0.001 0.000 2.253 402 L HA -0.025 4.315 4.340 -0.000 0.000 0.205 402 L C 2.211 179.069 176.870 -0.020 0.000 1.078 402 L CA 1.293 56.128 54.840 -0.008 0.000 0.805 402 L CB -0.084 41.973 42.059 -0.004 0.000 0.963 402 L HN 0.397 nan 8.230 nan 0.000 0.459 403 T N -4.032 110.515 114.554 -0.012 0.000 2.857 403 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 403 T C 1.845 176.515 174.700 -0.050 0.000 1.048 403 T CA 1.214 63.301 62.100 -0.020 0.000 1.139 403 T CB -0.878 67.993 68.868 0.006 0.000 0.874 403 T HN 0.091 nan 8.240 nan 0.000 0.455 404 V N 1.866 121.765 119.914 -0.024 0.000 2.332 404 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 404 V C 2.760 178.756 176.094 -0.163 0.000 1.055 404 V CA 2.167 64.439 62.300 -0.047 0.000 1.038 404 V CB -0.659 31.198 31.823 0.056 0.000 0.651 404 V HN 0.591 nan 8.190 nan 0.000 0.450 405 E N -0.338 119.805 120.200 -0.096 0.000 2.107 405 E HA -0.162 4.187 4.350 -0.000 0.000 0.191 405 E C 2.494 179.010 176.600 -0.140 0.000 0.982 405 E CA 0.740 57.082 56.400 -0.096 0.000 0.809 405 E CB 0.043 29.719 29.700 -0.040 0.000 0.756 405 E HN 0.487 nan 8.360 nan 0.000 0.459 406 R N -0.088 120.329 120.500 -0.137 0.000 2.090 406 R HA -0.011 4.328 4.340 -0.000 0.000 0.228 406 R C 2.366 178.533 176.300 -0.222 0.000 1.110 406 R CA 0.850 56.850 56.100 -0.167 0.000 0.973 406 R CB -0.225 30.011 30.300 -0.106 0.000 0.869 406 R HN 0.119 nan 8.270 nan 0.000 0.440 407 A N 1.511 124.181 122.820 -0.250 0.000 1.940 407 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 407 A C 2.125 179.463 177.584 -0.409 0.000 1.176 407 A CA 1.268 53.116 52.037 -0.315 0.000 0.631 407 A CB -0.373 18.378 19.000 -0.414 0.000 0.814 407 A HN 0.227 nan 8.150 nan 0.000 0.446 408 R N -0.410 119.793 120.500 -0.495 0.000 2.092 408 R HA -0.083 4.257 4.340 -0.000 0.000 0.231 408 R C 2.160 178.351 176.300 -0.180 0.000 1.119 408 R CA 1.552 57.456 56.100 -0.327 0.000 0.970 408 R CB -0.226 29.928 30.300 -0.244 0.000 0.864 408 R HN 0.532 nan 8.270 nan 0.000 0.440 409 K N 0.427 120.668 120.400 -0.265 0.000 2.057 409 K HA -0.065 4.254 4.320 -0.000 0.000 0.206 409 K C 2.071 178.368 176.600 -0.504 0.000 1.050 409 K CA 1.177 57.168 56.287 -0.493 0.000 0.935 409 K CB -0.073 31.949 32.500 -0.796 0.000 0.715 409 K HN 0.127 nan 8.250 nan 0.000 0.439 410 I N 1.187 121.577 120.570 -0.301 0.000 2.163 410 I HA -0.304 3.866 4.170 -0.000 0.000 0.240 410 I C 2.770 178.929 176.117 0.070 0.000 1.081 410 I CA 1.261 62.530 61.300 -0.051 0.000 1.353 410 I CB -0.300 37.727 38.000 0.045 0.000 1.054 410 I HN 0.280 nan 8.210 nan 0.000 0.407 411 Q N 0.806 120.613 119.800 0.011 0.000 2.133 411 Q HA -0.274 4.066 4.340 -0.000 0.000 0.208 411 Q C 2.310 178.362 176.000 0.087 0.000 0.991 411 Q CA 1.928 57.767 55.803 0.060 0.000 0.867 411 Q CB 0.027 28.801 28.738 0.061 0.000 0.911 411 Q HN 0.387 nan 8.270 nan 0.000 0.417 412 R N -1.154 119.407 120.500 0.101 0.000 2.161 412 R HA -0.041 4.299 4.340 -0.000 0.000 0.213 412 R C 1.861 178.282 176.300 0.202 0.000 1.055 412 R CA 0.554 56.746 56.100 0.153 0.000 0.996 412 R CB -0.063 30.398 30.300 0.268 0.000 0.901 412 R HN 0.201 nan 8.270 nan 0.000 0.456 413 F N 0.861 120.816 119.950 0.008 0.000 2.451 413 F HA 0.010 4.537 4.527 -0.000 0.000 0.299 413 F C 1.210 177.079 175.800 0.115 0.000 1.101 413 F CA 0.926 58.930 58.000 0.008 0.000 1.436 413 F CB 0.048 38.897 39.000 -0.252 0.000 1.074 413 F HN -0.056 nan 8.300 nan 0.000 0.553 414 L N -0.412 120.926 121.223 0.192 0.000 2.599 414 L HA 0.046 4.385 4.340 -0.000 0.000 0.230 414 L C 1.233 178.108 176.870 0.008 0.000 1.141 414 L CA 0.138 55.037 54.840 0.099 0.000 0.877 414 L CB -0.705 41.405 42.059 0.084 0.000 1.009 414 L HN 0.048 nan 8.230 nan 0.000 0.447 415 S N -0.351 115.330 115.700 -0.031 0.000 2.632 415 S HA 0.477 4.947 4.470 -0.000 0.000 0.271 415 S C -0.386 174.148 174.600 -0.109 0.000 1.260 415 S CA -0.505 57.617 58.200 -0.130 0.000 1.010 415 S CB 2.109 65.128 63.200 -0.301 0.000 0.965 415 S HN 0.256 nan 8.310 nan 0.000 0.534 416 Q N 0.590 120.293 119.800 -0.163 0.000 2.443 416 Q HA 0.361 4.701 4.340 -0.000 0.000 0.258 416 Q C -3.142 172.732 176.000 -0.210 0.000 0.967 416 Q CA -1.640 54.096 55.803 -0.112 0.000 0.951 416 Q CB 2.227 30.963 28.738 -0.003 0.000 1.459 416 Q HN 0.566 nan 8.270 nan 0.000 0.415 417 P HA 0.222 nan 4.420 nan 0.000 0.276 417 P C -1.060 176.335 177.300 0.158 0.000 1.235 417 P CA -0.077 63.008 63.100 -0.025 0.000 0.772 417 P CB 0.330 32.048 31.700 0.030 0.000 0.871 418 F N 1.416 121.392 119.950 0.044 0.000 2.422 418 F HA 0.397 4.923 4.527 -0.000 0.000 0.333 418 F C 1.741 177.552 175.800 0.019 0.000 1.095 418 F CA -1.443 56.579 58.000 0.037 0.000 1.038 418 F CB 0.680 39.715 39.000 0.060 0.000 1.156 418 F HN 0.392 nan 8.300 nan 0.000 0.483 419 A N 2.608 125.536 122.820 0.180 0.000 1.908 419 A HA -0.147 4.172 4.320 -0.000 0.000 0.218 419 A C 2.186 179.801 177.584 0.052 0.000 1.181 419 A CA 2.531 54.612 52.037 0.073 0.000 0.627 419 A CB -1.147 17.863 19.000 0.017 0.000 0.818 419 A HN 0.691 nan 8.150 nan 0.000 0.445 420 V N -2.409 117.539 119.914 0.056 0.000 2.343 420 V HA -0.023 4.097 4.120 -0.000 0.000 0.247 420 V C 2.279 178.414 176.094 0.069 0.000 1.051 420 V CA 1.610 63.933 62.300 0.039 0.000 1.036 420 V CB -1.613 30.231 31.823 0.035 0.000 0.654 420 V HN 0.631 nan 8.190 nan 0.000 0.451 421 A N -0.369 122.548 122.820 0.162 0.000 2.176 421 A HA 0.047 4.367 4.320 -0.000 0.000 0.214 421 A C 1.954 179.601 177.584 0.104 0.000 1.327 421 A CA 1.018 53.169 52.037 0.190 0.000 1.015 421 A CB -0.882 18.235 19.000 0.195 0.000 0.818 421 A HN 0.744 nan 8.150 nan 0.000 0.500 422 E N -0.811 119.389 120.200 0.000 0.000 2.251 422 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 422 E C 1.626 178.167 176.600 -0.098 0.000 0.964 422 E CA 0.916 57.298 56.400 -0.029 0.000 0.868 422 E CB 0.213 29.895 29.700 -0.030 0.000 0.828 422 E HN 0.552 nan 8.360 nan 0.000 0.481 423 V N -0.857 118.895 119.914 -0.269 0.000 3.444 423 V HA -0.016 4.104 4.120 -0.000 0.000 0.271 423 V C 1.121 177.038 176.094 -0.294 0.000 1.188 423 V CA 0.934 63.021 62.300 -0.355 0.000 1.168 423 V CB -0.531 30.971 31.823 -0.534 0.000 0.810 423 V HN 0.116 nan 8.190 nan 0.000 0.500 424 F N 1.186 121.131 119.950 -0.009 0.000 2.752 424 F HA 0.268 4.795 4.527 -0.000 0.000 0.310 424 F C 2.075 177.862 175.800 -0.022 0.000 1.097 424 F CA 0.668 58.658 58.000 -0.016 0.000 1.238 424 F CB 0.131 39.118 39.000 -0.020 0.000 1.061 424 F HN 0.356 nan 8.300 nan 0.000 0.591 425 T N -5.221 109.420 114.554 0.145 0.000 3.009 425 T HA 0.445 4.795 4.350 -0.000 0.000 0.267 425 T C 1.768 176.497 174.700 0.048 0.000 0.942 425 T CA 0.673 62.820 62.100 0.078 0.000 0.883 425 T CB 0.531 69.429 68.868 0.049 0.000 1.192 425 T HN 0.315 nan 8.240 nan 0.000 0.524 426 G N 1.947 110.767 108.800 0.034 0.000 2.396 426 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 426 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 426 G C -0.018 174.892 174.900 0.017 0.000 1.069 426 G CA 0.123 45.233 45.100 0.018 0.000 0.633 426 G HN 0.651 nan 8.290 nan 0.000 0.517 427 I N 4.724 125.309 120.570 0.026 0.000 2.598 427 I HA 0.299 4.469 4.170 -0.000 0.000 0.284 427 I C -1.362 174.772 176.117 0.029 0.000 1.140 427 I CA -1.760 59.556 61.300 0.028 0.000 1.420 427 I CB 0.672 38.693 38.000 0.035 0.000 1.387 427 I HN 0.022 nan 8.210 nan 0.000 0.553 428 P HA 0.130 nan 4.420 nan 0.000 0.271 428 P C 0.112 177.439 177.300 0.044 0.000 1.220 428 P CA -0.276 62.840 63.100 0.027 0.000 0.768 428 P CB 0.638 32.348 31.700 0.018 0.000 0.848 429 G N 3.440 112.275 108.800 0.059 0.000 2.569 429 G HA2 0.278 4.237 3.960 -0.000 0.000 0.249 429 G HA3 0.278 4.237 3.960 -0.000 0.000 0.249 429 G C -0.376 174.571 174.900 0.079 0.000 1.216 429 G CA -0.406 44.752 45.100 0.097 0.000 0.845 429 G HN 0.348 nan 8.290 nan 0.000 0.568 430 K N 1.186 121.649 120.400 0.105 0.000 2.463 430 K HA 0.248 4.568 4.320 -0.000 0.000 0.255 430 K C -1.090 175.559 176.600 0.081 0.000 0.942 430 K CA -0.614 55.719 56.287 0.076 0.000 0.814 430 K CB 2.477 35.017 32.500 0.067 0.000 1.122 430 K HN 0.377 nan 8.250 nan 0.000 0.425 431 L N 4.360 125.608 121.223 0.041 0.000 2.282 431 L HA 0.227 4.567 4.340 -0.000 0.000 0.287 431 L C -0.604 176.274 176.870 0.014 0.000 1.075 431 L CA -0.741 54.111 54.840 0.019 0.000 0.839 431 L CB 0.604 42.656 42.059 -0.011 0.000 1.219 431 L HN 0.219 nan 8.230 nan 0.000 0.434 432 V N 5.121 125.049 119.914 0.023 0.000 2.546 432 V HA 0.381 4.501 4.120 -0.000 0.000 0.284 432 V C 0.634 176.731 176.094 0.005 0.000 1.050 432 V CA -0.718 61.592 62.300 0.016 0.000 0.981 432 V CB 1.213 33.045 31.823 0.016 0.000 0.990 432 V HN 0.689 nan 8.190 nan 0.000 0.474 433 R N 1.904 122.407 120.500 0.004 0.000 2.500 433 R HA 0.290 4.630 4.340 -0.000 0.000 0.275 433 R C 1.044 177.351 176.300 0.011 0.000 1.051 433 R CA -0.646 55.455 56.100 0.002 0.000 1.088 433 R CB 1.106 31.404 30.300 -0.004 0.000 1.063 433 R HN 0.657 nan 8.270 nan 0.000 0.511 434 L N 3.322 124.556 121.223 0.019 0.000 2.012 434 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 434 L C 1.961 178.842 176.870 0.018 0.000 1.073 434 L CA 1.995 56.851 54.840 0.026 0.000 0.748 434 L CB -0.212 41.888 42.059 0.069 0.000 0.891 434 L HN 0.571 nan 8.230 nan 0.000 0.431 435 K N -0.644 119.775 120.400 0.031 0.000 2.044 435 K HA -0.268 4.052 4.320 -0.000 0.000 0.210 435 K C 1.930 178.548 176.600 0.030 0.000 1.049 435 K CA 1.897 58.203 56.287 0.032 0.000 0.927 435 K CB -0.462 32.058 32.500 0.034 0.000 0.713 435 K HN 0.409 nan 8.250 nan 0.000 0.443 436 D N -0.057 120.363 120.400 0.032 0.000 2.178 436 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 436 D C 1.537 177.875 176.300 0.062 0.000 0.980 436 D CA 1.314 55.341 54.000 0.045 0.000 0.842 436 D CB 0.046 40.868 40.800 0.036 0.000 0.948 436 D HN 0.082 nan 8.370 nan 0.000 0.472 437 T N -0.773 113.806 114.554 0.042 0.000 2.777 437 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 437 T C 2.064 176.831 174.700 0.112 0.000 1.040 437 T CA 1.098 63.235 62.100 0.062 0.000 1.141 437 T CB -0.225 68.629 68.868 -0.024 0.000 0.868 437 T HN -0.012 nan 8.240 nan 0.000 0.444 438 V N 1.774 121.683 119.914 -0.009 0.000 2.283 438 V HA -0.108 4.012 4.120 -0.000 0.000 0.243 438 V C 2.937 179.082 176.094 0.086 0.000 1.039 438 V CA 1.547 63.821 62.300 -0.043 0.000 1.016 438 V CB -1.362 30.367 31.823 -0.157 0.000 0.650 438 V HN 0.503 nan 8.190 nan 0.000 0.449 439 A N 0.161 123.028 122.820 0.078 0.000 1.896 439 A HA -0.326 3.993 4.320 -0.000 0.000 0.220 439 A C 2.473 180.143 177.584 0.144 0.000 1.206 439 A CA 2.905 55.001 52.037 0.099 0.000 0.647 439 A CB -1.055 17.994 19.000 0.082 0.000 0.828 439 A HN 0.533 nan 8.150 nan 0.000 0.455 440 S N -0.972 114.833 115.700 0.175 0.000 2.353 440 S HA -0.128 4.342 4.470 -0.000 0.000 0.222 440 S C 1.642 176.356 174.600 0.189 0.000 1.035 440 S CA 1.683 59.997 58.200 0.189 0.000 1.025 440 S CB -0.595 62.749 63.200 0.240 0.000 0.902 440 S HN 0.531 nan 8.310 nan 0.000 0.440 441 F N 1.829 121.870 119.950 0.151 0.000 2.234 441 F HA -0.001 4.526 4.527 -0.000 0.000 0.299 441 F C 2.321 178.165 175.800 0.074 0.000 1.087 441 F CA 0.947 59.019 58.000 0.120 0.000 1.340 441 F CB -0.310 38.700 39.000 0.016 0.000 1.031 441 F HN 0.097 nan 8.300 nan 0.000 0.500 442 K N 0.497 121.033 120.400 0.227 0.000 2.044 442 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 442 K C 2.288 178.968 176.600 0.134 0.000 1.049 442 K CA 1.434 57.805 56.287 0.141 0.000 0.927 442 K CB -0.368 32.196 32.500 0.107 0.000 0.713 442 K HN 0.235 nan 8.250 nan 0.000 0.443 443 A N 0.495 123.412 122.820 0.162 0.000 1.902 443 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 443 A C 2.225 179.944 177.584 0.225 0.000 1.181 443 A CA 1.646 53.807 52.037 0.206 0.000 0.623 443 A CB -0.541 18.658 19.000 0.332 0.000 0.818 443 A HN 0.184 nan 8.150 nan 0.000 0.443 444 V N 0.079 120.095 119.914 0.171 0.000 2.358 444 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 444 V C 2.516 178.643 176.094 0.055 0.000 1.047 444 V CA 1.803 64.159 62.300 0.095 0.000 1.035 444 V CB -0.813 30.931 31.823 -0.132 0.000 0.658 444 V HN 0.551 nan 8.190 nan 0.000 0.452 445 L N -0.284 120.980 121.223 0.068 0.000 2.093 445 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 445 L C 2.321 179.217 176.870 0.043 0.000 1.085 445 L CA 1.424 56.294 54.840 0.052 0.000 0.755 445 L CB -0.504 41.597 42.059 0.069 0.000 0.904 445 L HN 0.360 nan 8.230 nan 0.000 0.435 446 E N -0.049 120.185 120.200 0.057 0.000 2.526 446 E HA -0.037 4.312 4.350 -0.000 0.000 0.198 446 E C 1.348 177.962 176.600 0.023 0.000 1.091 446 E CA 0.454 56.877 56.400 0.039 0.000 0.880 446 E CB -0.071 29.655 29.700 0.043 0.000 0.873 446 E HN 0.537 nan 8.360 nan 0.000 0.527 447 G N 1.632 110.452 108.800 0.033 0.000 2.166 447 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.260 447 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.260 447 G C 0.791 175.687 174.900 -0.007 0.000 0.986 447 G CA 0.649 45.760 45.100 0.019 0.000 0.683 447 G HN 0.304 nan 8.290 nan 0.000 0.527 448 K N -0.984 119.400 120.400 -0.028 0.000 2.585 448 K HA 0.040 4.360 4.320 -0.000 0.000 0.194 448 K C 0.400 176.675 176.600 -0.541 0.000 1.037 448 K CA 0.965 57.097 56.287 -0.257 0.000 0.964 448 K CB 0.017 32.338 32.500 -0.299 0.000 0.787 448 K HN 0.635 nan 8.250 nan 0.000 0.488 449 Y N -0.601 119.709 120.300 0.018 0.000 2.685 449 Y HA 0.115 4.664 4.550 -0.000 0.000 0.257 449 Y C 0.297 176.240 175.900 0.072 0.000 1.053 449 Y CA -0.671 57.458 58.100 0.048 0.000 1.106 449 Y CB 0.554 39.078 38.460 0.106 0.000 1.193 449 Y HN -0.064 nan 8.280 nan 0.000 0.602 450 D N 0.289 120.753 120.400 0.107 0.000 2.224 450 D HA -0.131 4.509 4.640 -0.000 0.000 0.205 450 D C 1.552 177.894 176.300 0.071 0.000 0.965 450 D CA 1.291 55.337 54.000 0.077 0.000 0.852 450 D CB -0.011 40.805 40.800 0.027 0.000 0.947 450 D HN 0.508 nan 8.370 nan 0.000 0.494 451 N N 0.620 119.351 118.700 0.051 0.000 2.331 451 N HA -0.107 4.633 4.740 -0.000 0.000 0.180 451 N C 0.699 176.236 175.510 0.044 0.000 1.019 451 N CA 0.304 53.373 53.050 0.032 0.000 0.881 451 N CB -0.306 38.182 38.487 0.002 0.000 0.972 451 N HN 0.100 nan 8.380 nan 0.000 0.435 452 I N 2.600 123.217 120.570 0.078 0.000 2.752 452 I HA 0.069 4.239 4.170 -0.000 0.000 0.287 452 I C -1.879 174.259 176.117 0.036 0.000 1.188 452 I CA -1.874 59.438 61.300 0.021 0.000 1.427 452 I CB -0.321 37.654 38.000 -0.042 0.000 1.365 452 I HN 0.092 nan 8.210 nan 0.000 0.585 453 P HA 0.174 nan 4.420 nan 0.000 0.275 453 P C 0.418 177.754 177.300 0.061 0.000 1.228 453 P CA -0.331 62.784 63.100 0.024 0.000 0.786 453 P CB 1.043 32.747 31.700 0.006 0.000 0.927 454 E N 0.711 121.010 120.200 0.166 0.000 2.097 454 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 454 E C 1.352 178.104 176.600 0.253 0.000 1.000 454 E CA 1.356 57.926 56.400 0.283 0.000 0.804 454 E CB -0.391 29.425 29.700 0.193 0.000 0.740 454 E HN 0.599 nan 8.360 nan 0.000 0.454 455 H N -0.709 118.390 119.070 0.048 0.000 2.568 455 H HA 0.043 4.599 4.556 -0.000 0.000 0.281 455 H C 0.961 176.280 175.328 -0.016 0.000 1.028 455 H CA 0.882 56.934 56.048 0.007 0.000 1.199 455 H CB 0.090 29.821 29.762 -0.051 0.000 1.352 455 H HN 0.142 nan 8.280 nan 0.000 0.605 456 A N -1.253 121.482 122.820 -0.141 0.000 2.390 456 A HA 0.167 4.486 4.320 -0.000 0.000 0.232 456 A C 1.012 178.333 177.584 -0.438 0.000 1.233 456 A CA -0.354 51.493 52.037 -0.317 0.000 0.907 456 A CB -0.325 18.440 19.000 -0.392 0.000 0.967 456 A HN 0.352 nan 8.150 nan 0.000 0.512 457 F N -1.911 117.979 119.950 -0.100 0.000 2.727 457 F HA 0.244 4.770 4.527 -0.000 0.000 0.302 457 F C 0.623 176.475 175.800 0.086 0.000 1.097 457 F CA -0.155 57.766 58.000 -0.131 0.000 1.330 457 F CB 0.024 38.902 39.000 -0.204 0.000 1.084 457 F HN 0.302 nan 8.300 nan 0.000 0.578 458 Y N 0.938 121.276 120.300 0.064 0.000 2.299 458 Y HA 0.269 4.819 4.550 -0.000 0.000 0.326 458 Y C 0.858 176.766 175.900 0.013 0.000 1.164 458 Y CA -1.346 56.781 58.100 0.045 0.000 1.234 458 Y CB 0.491 38.920 38.460 -0.052 0.000 1.219 458 Y HN -0.039 nan 8.280 nan 0.000 0.497 459 M N 5.108 124.623 119.600 -0.141 0.000 2.136 459 M HA -0.178 4.302 4.480 -0.000 0.000 0.194 459 M C -1.085 175.238 176.300 0.038 0.000 0.337 459 M CA 0.941 56.212 55.300 -0.049 0.000 0.385 459 M CB -2.838 29.800 32.600 0.063 0.000 1.066 459 M HN 0.389 nan 8.290 nan 0.000 0.943 460 V N -3.837 116.119 119.914 0.070 0.000 3.164 460 V HA 1.067 5.187 4.120 -0.000 0.000 0.313 460 V C 0.870 177.026 176.094 0.102 0.000 1.188 460 V CA -0.319 62.032 62.300 0.084 0.000 1.058 460 V CB 1.254 33.126 31.823 0.081 0.000 1.110 460 V HN 0.344 nan 8.190 nan 0.000 0.453 461 G N -0.356 108.501 108.800 0.095 0.000 3.199 461 G HA2 0.521 4.480 3.960 -0.000 0.000 0.184 461 G HA3 0.521 4.480 3.960 -0.000 0.000 0.184 461 G C 0.695 175.655 174.900 0.101 0.000 1.974 461 G CA 0.225 45.371 45.100 0.076 0.000 0.885 461 G HN 1.244 nan 8.290 nan 0.000 0.575 462 G N -0.542 108.316 108.800 0.096 0.000 3.048 462 G HA2 0.284 4.244 3.960 -0.000 0.000 0.151 462 G HA3 0.284 4.244 3.960 -0.000 0.000 0.151 462 G C 0.804 175.845 174.900 0.235 0.000 1.803 462 G CA 0.727 45.901 45.100 0.125 0.000 1.047 462 G HN 0.461 nan 8.290 nan 0.000 0.513 463 I N -1.434 119.207 120.570 0.118 0.000 4.244 463 I HA 0.290 4.460 4.170 -0.000 0.000 0.318 463 I C 2.239 178.320 176.117 -0.060 0.000 1.282 463 I CA 0.344 61.643 61.300 -0.002 0.000 1.276 463 I CB 0.214 38.192 38.000 -0.038 0.000 1.183 463 I HN 0.505 nan 8.210 nan 0.000 0.431 464 E N 0.617 120.815 120.200 -0.004 0.000 2.130 464 E HA -0.260 4.089 4.350 -0.000 0.000 0.196 464 E C 0.927 177.511 176.600 -0.027 0.000 0.998 464 E CA 1.600 57.995 56.400 -0.008 0.000 0.806 464 E CB -0.027 29.679 29.700 0.010 0.000 0.738 464 E HN 0.479 nan 8.360 nan 0.000 0.459 465 D N -0.539 119.852 120.400 -0.015 0.000 2.348 465 D HA -0.064 4.576 4.640 -0.000 0.000 0.216 465 D C 1.672 177.921 176.300 -0.084 0.000 0.970 465 D CA 0.315 54.302 54.000 -0.021 0.000 0.889 465 D CB 0.309 41.125 40.800 0.027 0.000 0.912 465 D HN 0.015 nan 8.370 nan 0.000 0.524 466 V N -0.231 119.586 119.914 -0.161 0.000 2.341 466 V HA -0.132 3.987 4.120 -0.000 0.000 0.240 466 V C 2.530 178.462 176.094 -0.270 0.000 1.035 466 V CA 0.643 62.740 62.300 -0.337 0.000 1.033 466 V CB -0.426 31.032 31.823 -0.609 0.000 0.678 466 V HN 0.014 nan 8.190 nan 0.000 0.464 467 V N 0.964 120.763 119.914 -0.192 0.000 2.278 467 V HA -0.344 3.776 4.120 -0.000 0.000 0.251 467 V C 2.767 178.815 176.094 -0.075 0.000 1.062 467 V CA 2.389 64.636 62.300 -0.088 0.000 1.038 467 V CB -1.404 30.413 31.823 -0.010 0.000 0.646 467 V HN 0.557 nan 8.190 nan 0.000 0.447 468 A N -0.544 122.235 122.820 -0.068 0.000 1.883 468 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 468 A C 2.378 179.924 177.584 -0.064 0.000 1.186 468 A CA 2.293 54.299 52.037 -0.052 0.000 0.624 468 A CB -0.543 18.435 19.000 -0.037 0.000 0.822 468 A HN 0.515 nan 8.150 nan 0.000 0.444 469 K N -0.572 119.773 120.400 -0.092 0.000 2.148 469 K HA -0.037 4.283 4.320 -0.000 0.000 0.204 469 K C 2.105 178.642 176.600 -0.106 0.000 1.050 469 K CA 0.960 57.188 56.287 -0.099 0.000 0.942 469 K CB -0.252 32.174 32.500 -0.123 0.000 0.724 469 K HN 0.417 nan 8.250 nan 0.000 0.446 470 A N 1.173 123.915 122.820 -0.129 0.000 1.969 470 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 470 A C 1.626 179.170 177.584 -0.066 0.000 1.169 470 A CA 1.395 53.365 52.037 -0.113 0.000 0.635 470 A CB -0.236 18.686 19.000 -0.131 0.000 0.810 470 A HN 0.397 nan 8.150 nan 0.000 0.445 471 E N -0.487 119.680 120.200 -0.054 0.000 2.299 471 E HA -0.024 4.325 4.350 -0.000 0.000 0.193 471 E C 1.567 178.149 176.600 -0.030 0.000 0.998 471 E CA 0.369 56.748 56.400 -0.035 0.000 0.851 471 E CB 0.002 29.685 29.700 -0.028 0.000 0.795 471 E HN 0.456 nan 8.360 nan 0.000 0.492 472 K N 0.503 120.882 120.400 -0.035 0.000 2.432 472 K HA 0.025 4.345 4.320 -0.000 0.000 0.196 472 K C 1.119 177.706 176.600 -0.022 0.000 1.038 472 K CA 0.579 56.850 56.287 -0.027 0.000 0.986 472 K CB 0.311 32.794 32.500 -0.029 0.000 0.782 472 K HN 0.167 nan 8.250 nan 0.000 0.485 473 L N -0.695 120.512 121.223 -0.027 0.000 3.066 473 L HA 0.257 4.596 4.340 -0.000 0.000 0.265 473 L C 1.431 178.290 176.870 -0.017 0.000 1.232 473 L CA -0.264 54.566 54.840 -0.016 0.000 1.031 473 L CB 0.575 42.628 42.059 -0.010 0.000 1.379 473 L HN -0.065 nan 8.230 nan 0.000 0.563 474 A N 0.368 123.176 122.820 -0.020 0.000 1.943 474 A HA 0.583 4.903 4.320 -0.000 0.000 0.213 474 A C 1.206 178.782 177.584 -0.013 0.000 1.181 474 A CA 1.103 53.130 52.037 -0.018 0.000 0.653 474 A CB 0.139 19.128 19.000 -0.019 0.000 0.833 474 A HN 0.380 nan 8.150 nan 0.000 0.451 475 A N 0.000 122.813 122.820 -0.012 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 475 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486