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 1we3_1_C DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKPE 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.545 177.584 -0.064 0.000 1.274 3 A CA 0.000 52.012 52.037 -0.042 0.000 0.836 3 A CB 0.000 18.977 19.000 -0.039 0.000 0.831 4 K N 0.284 120.653 120.400 -0.051 0.000 2.139 4 K HA 0.697 5.018 4.320 0.000 0.000 0.243 4 K C -0.844 175.728 176.600 -0.046 0.000 0.983 4 K CA -0.328 55.922 56.287 -0.062 0.000 0.890 4 K CB 2.076 34.547 32.500 -0.048 0.000 1.090 4 K HN 0.575 nan 8.250 nan 0.000 0.445 5 I N 1.147 121.686 120.570 -0.052 0.000 2.569 5 I HA 0.305 4.475 4.170 0.000 0.000 0.290 5 I C -1.513 174.588 176.117 -0.027 0.000 1.088 5 I CA -0.910 60.376 61.300 -0.024 0.000 1.047 5 I CB 1.173 39.157 38.000 -0.026 0.000 1.237 5 I HN 0.386 nan 8.210 nan 0.000 0.421 6 L N 8.165 129.398 121.223 0.016 0.000 2.283 6 L HA 0.468 4.808 4.340 0.000 0.000 0.281 6 L C -0.613 176.277 176.870 0.032 0.000 1.033 6 L CA -0.775 54.051 54.840 -0.024 0.000 0.848 6 L CB 1.347 43.459 42.059 0.089 0.000 1.226 6 L HN 0.355 nan 8.230 nan 0.000 0.429 7 V N 3.541 123.389 119.914 -0.109 0.000 2.439 7 V HA 0.441 4.561 4.120 0.000 0.000 0.282 7 V C -0.014 175.993 176.094 -0.145 0.000 1.039 7 V CA -0.211 62.089 62.300 0.001 0.000 0.913 7 V CB 1.341 33.158 31.823 -0.009 0.000 0.983 7 V HN 0.363 nan 8.190 nan 0.000 0.460 8 F N 0.631 120.582 119.950 0.002 0.000 2.697 8 F HA 0.509 5.036 4.527 -0.000 0.000 0.386 8 F C 1.098 176.900 175.800 0.003 0.000 1.154 8 F CA -0.721 57.281 58.000 0.002 0.000 1.108 8 F CB 0.144 39.145 39.000 0.001 0.000 1.429 8 F HN 0.521 nan 8.300 nan 0.000 0.509 9 D N 0.345 120.897 120.400 0.253 0.000 3.470 9 D HA -0.261 4.379 4.640 0.000 0.000 0.175 9 D C 1.534 177.882 176.300 0.080 0.000 1.216 9 D CA 1.637 55.715 54.000 0.131 0.000 0.889 9 D CB -0.078 40.786 40.800 0.107 0.000 0.506 9 D HN 0.559 nan 8.370 nan 0.000 0.500 10 E N -0.091 120.145 120.200 0.060 0.000 2.171 10 E HA -0.179 4.171 4.350 0.000 0.000 0.197 10 E C 1.952 178.576 176.600 0.040 0.000 0.997 10 E CA 1.366 57.791 56.400 0.041 0.000 0.810 10 E CB -0.487 29.233 29.700 0.032 0.000 0.738 10 E HN 0.459 nan 8.360 nan 0.000 0.467 11 A N 1.630 124.482 122.820 0.053 0.000 1.873 11 A HA -0.212 4.109 4.320 0.000 0.000 0.218 11 A C 2.465 180.072 177.584 0.039 0.000 1.193 11 A CA 2.590 54.656 52.037 0.049 0.000 0.629 11 A CB -0.749 18.293 19.000 0.070 0.000 0.826 11 A HN 0.309 nan 8.150 nan 0.000 0.447 12 A N -0.302 122.542 122.820 0.040 0.000 1.858 12 A HA -0.166 4.154 4.320 0.000 0.000 0.216 12 A C 2.240 179.830 177.584 0.009 0.000 1.190 12 A CA 1.589 53.633 52.037 0.012 0.000 0.617 12 A CB -0.534 18.459 19.000 -0.011 0.000 0.827 12 A HN 0.575 nan 8.150 nan 0.000 0.443 13 R N -1.036 119.473 120.500 0.015 0.000 2.091 13 R HA -0.106 4.234 4.340 0.000 0.000 0.238 13 R C 2.335 178.641 176.300 0.011 0.000 1.136 13 R CA 1.313 57.419 56.100 0.011 0.000 0.959 13 R CB -0.355 29.953 30.300 0.015 0.000 0.856 13 R HN 0.293 nan 8.270 nan 0.000 0.437 14 R N 0.782 121.291 120.500 0.015 0.000 2.081 14 R HA -0.050 4.290 4.340 0.000 0.000 0.235 14 R C 2.257 178.563 176.300 0.011 0.000 1.131 14 R CA 1.627 57.734 56.100 0.013 0.000 0.960 14 R CB -1.066 29.243 30.300 0.015 0.000 0.856 14 R HN 0.283 nan 8.270 nan 0.000 0.436 15 A N 1.418 124.245 122.820 0.012 0.000 1.851 15 A HA -0.148 4.172 4.320 0.000 0.000 0.216 15 A C 2.457 180.046 177.584 0.007 0.000 1.195 15 A CA 1.432 53.475 52.037 0.011 0.000 0.622 15 A CB -0.800 18.209 19.000 0.014 0.000 0.831 15 A HN 0.210 nan 8.150 nan 0.000 0.444 16 L N -0.898 120.328 121.223 0.005 0.000 1.990 16 L HA -0.277 4.064 4.340 0.000 0.000 0.213 16 L C 2.747 179.618 176.870 0.002 0.000 1.072 16 L CA 2.145 56.986 54.840 0.002 0.000 0.755 16 L CB -0.671 41.388 42.059 -0.001 0.000 0.889 16 L HN 0.656 nan 8.230 nan 0.000 0.432 17 E N 0.274 120.476 120.200 0.003 0.000 2.130 17 E HA -0.270 4.080 4.350 0.000 0.000 0.196 17 E C 2.327 178.929 176.600 0.002 0.000 0.998 17 E CA 1.295 57.697 56.400 0.003 0.000 0.806 17 E CB 0.057 29.760 29.700 0.005 0.000 0.738 17 E HN 0.327 nan 8.360 nan 0.000 0.459 18 R N -0.468 120.033 120.500 0.003 0.000 2.083 18 R HA -0.128 4.212 4.340 0.000 0.000 0.237 18 R C 2.520 178.819 176.300 -0.002 0.000 1.137 18 R CA 1.338 57.439 56.100 0.001 0.000 0.951 18 R CB -0.592 29.709 30.300 0.002 0.000 0.851 18 R HN 0.309 nan 8.270 nan 0.000 0.434 19 G N 0.289 109.088 108.800 -0.002 0.000 2.459 19 G HA2 -0.240 3.721 3.960 0.000 0.000 0.217 19 G HA3 -0.240 3.721 3.960 0.000 0.000 0.217 19 G C 1.468 176.365 174.900 -0.005 0.000 1.183 19 G CA 0.997 46.094 45.100 -0.005 0.000 0.776 19 G HN 0.151 nan 8.290 nan 0.000 0.552 20 V N 1.801 121.714 119.914 -0.002 0.000 2.252 20 V HA -0.278 3.842 4.120 0.000 0.000 0.249 20 V C 2.690 178.783 176.094 -0.002 0.000 1.056 20 V CA 2.094 64.393 62.300 -0.002 0.000 1.022 20 V CB -0.543 31.280 31.823 -0.000 0.000 0.641 20 V HN 0.372 nan 8.190 nan 0.000 0.445 21 N N 0.253 118.952 118.700 -0.001 0.000 2.120 21 N HA -0.128 4.612 4.740 0.000 0.000 0.188 21 N C 1.968 177.476 175.510 -0.003 0.000 1.024 21 N CA 1.605 54.654 53.050 -0.001 0.000 0.852 21 N CB -0.482 38.005 38.487 -0.000 0.000 1.003 21 N HN 0.507 nan 8.380 nan 0.000 0.424 22 A N 1.312 124.129 122.820 -0.005 0.000 1.869 22 A HA -0.180 4.140 4.320 0.000 0.000 0.218 22 A C 2.588 180.167 177.584 -0.008 0.000 1.203 22 A CA 2.084 54.116 52.037 -0.008 0.000 0.638 22 A CB -1.046 17.947 19.000 -0.011 0.000 0.831 22 A HN 0.116 nan 8.150 nan 0.000 0.450 23 V N -0.349 119.561 119.914 -0.008 0.000 2.270 23 V HA -0.213 3.907 4.120 0.000 0.000 0.245 23 V C 3.092 179.182 176.094 -0.006 0.000 1.043 23 V CA 2.038 64.334 62.300 -0.008 0.000 1.014 23 V CB -1.466 30.352 31.823 -0.007 0.000 0.645 23 V HN 0.675 nan 8.190 nan 0.000 0.447 24 A N 0.804 123.622 122.820 -0.004 0.000 1.927 24 A HA -0.291 4.030 4.320 0.000 0.000 0.220 24 A C 1.986 179.569 177.584 -0.001 0.000 1.185 24 A CA 2.393 54.429 52.037 -0.002 0.000 0.639 24 A CB -0.767 18.233 19.000 0.000 0.000 0.820 24 A HN 0.640 nan 8.150 nan 0.000 0.451 25 N N -0.018 118.681 118.700 -0.002 0.000 2.396 25 N HA 0.018 4.758 4.740 0.000 0.000 0.180 25 N C 1.691 177.199 175.510 -0.003 0.000 1.028 25 N CA 1.213 54.261 53.050 -0.002 0.000 0.893 25 N CB -0.417 38.069 38.487 -0.002 0.000 0.967 25 N HN 0.525 nan 8.380 nan 0.000 0.440 26 A N 0.523 123.340 122.820 -0.006 0.000 1.930 26 A HA 0.026 4.346 4.320 0.000 0.000 0.215 26 A C 2.422 180.001 177.584 -0.007 0.000 1.176 26 A CA 0.735 52.767 52.037 -0.008 0.000 0.632 26 A CB -0.429 18.565 19.000 -0.011 0.000 0.819 26 A HN 0.060 nan 8.150 nan 0.000 0.445 27 V N 1.530 121.441 119.914 -0.006 0.000 2.255 27 V HA -0.283 3.837 4.120 0.000 0.000 0.243 27 V C 2.484 178.577 176.094 -0.002 0.000 1.038 27 V CA 2.294 64.591 62.300 -0.005 0.000 1.008 27 V CB -0.881 30.940 31.823 -0.003 0.000 0.645 27 V HN 0.836 nan 8.190 nan 0.000 0.449 28 K N 0.703 121.103 120.400 0.000 0.000 2.366 28 K HA -0.167 4.153 4.320 0.000 0.000 0.202 28 K C 1.688 178.291 176.600 0.004 0.000 1.045 28 K CA 1.715 58.004 56.287 0.003 0.000 0.934 28 K CB -0.838 31.665 32.500 0.005 0.000 0.746 28 K HN 0.349 nan 8.250 nan 0.000 0.470 29 V N 2.213 122.128 119.914 0.002 0.000 2.867 29 V HA -0.219 3.901 4.120 0.000 0.000 0.260 29 V C 2.508 178.603 176.094 0.002 0.000 1.099 29 V CA 2.093 64.395 62.300 0.002 0.000 1.122 29 V CB -0.870 30.953 31.823 -0.001 0.000 0.708 29 V HN 0.769 nan 8.190 nan 0.000 0.490 30 T N -2.842 111.712 114.554 0.001 0.000 3.040 30 T HA 0.135 4.485 4.350 0.000 0.000 0.252 30 T C 0.771 175.471 174.700 0.001 0.000 1.064 30 T CA -0.225 61.875 62.100 -0.000 0.000 1.110 30 T CB -0.166 68.701 68.868 -0.002 0.000 0.921 30 T HN 0.189 nan 8.240 nan 0.000 0.480 31 L N 3.028 124.253 121.223 0.003 0.000 2.653 31 L HA 0.372 4.712 4.340 0.000 0.000 0.288 31 L C 0.983 177.853 176.870 -0.000 0.000 1.243 31 L CA 1.804 56.645 54.840 0.002 0.000 0.906 31 L CB -0.986 41.076 42.059 0.005 0.000 1.154 31 L HN 0.872 nan 8.230 nan 0.000 0.498 32 G N 3.984 112.779 108.800 -0.009 0.000 2.796 32 G HA2 -0.179 3.781 3.960 0.000 0.000 0.571 32 G HA3 -0.179 3.781 3.960 0.000 0.000 0.571 32 G C -1.931 172.954 174.900 -0.025 0.000 1.370 32 G CA -0.248 44.840 45.100 -0.020 0.000 0.856 32 G HN 0.643 nan 8.290 nan 0.000 0.538 33 P HA -0.024 nan 4.420 nan 0.000 0.219 33 P C 1.342 178.627 177.300 -0.025 0.000 1.150 33 P CA 1.016 64.089 63.100 -0.045 0.000 0.814 33 P CB 0.119 31.775 31.700 -0.073 0.000 0.787 34 R N -0.024 120.472 120.500 -0.007 0.000 2.334 34 R HA 0.230 4.570 4.340 0.000 0.000 0.216 34 R C 1.347 177.654 176.300 0.012 0.000 0.905 34 R CA -0.044 56.063 56.100 0.012 0.000 1.064 34 R CB -0.871 29.456 30.300 0.046 0.000 1.046 34 R HN 0.148 nan 8.270 nan 0.000 0.508 35 G N 1.278 110.081 108.800 0.005 0.000 2.562 35 G HA2 0.072 4.032 3.960 0.000 0.000 0.233 35 G HA3 0.072 4.032 3.960 0.000 0.000 0.233 35 G C -0.112 174.788 174.900 0.001 0.000 1.266 35 G CA -0.200 44.903 45.100 0.004 0.000 0.852 35 G HN 0.167 nan 8.290 nan 0.000 0.581 36 R N 0.118 120.618 120.500 0.001 0.000 2.943 36 R HA 0.371 4.711 4.340 0.000 0.000 0.246 36 R C -0.197 176.099 176.300 -0.006 0.000 1.201 36 R CA -0.934 55.164 56.100 -0.002 0.000 1.056 36 R CB 0.945 31.245 30.300 -0.001 0.000 1.243 36 R HN 0.522 nan 8.270 nan 0.000 0.498 37 N N -0.293 118.402 118.700 -0.008 0.000 2.492 37 N HA 0.312 5.053 4.740 0.000 0.000 0.289 37 N C -0.899 174.603 175.510 -0.014 0.000 1.133 37 N CA -0.429 52.614 53.050 -0.012 0.000 0.961 37 N CB 1.589 40.069 38.487 -0.013 0.000 1.186 37 N HN 0.085 nan 8.380 nan 0.000 0.493 38 V N 0.971 120.874 119.914 -0.018 0.000 2.612 38 V HA 0.371 4.491 4.120 0.000 0.000 0.301 38 V C 0.063 176.144 176.094 -0.022 0.000 1.046 38 V CA -0.779 61.509 62.300 -0.019 0.000 0.946 38 V CB 2.032 33.842 31.823 -0.021 0.000 1.003 38 V HN 0.308 nan 8.190 nan 0.000 0.459 39 V N 5.555 125.457 119.914 -0.020 0.000 2.334 39 V HA 0.413 4.533 4.120 0.000 0.000 0.281 39 V C -0.265 175.816 176.094 -0.022 0.000 1.016 39 V CA -0.376 61.912 62.300 -0.020 0.000 0.832 39 V CB 1.285 33.098 31.823 -0.016 0.000 0.999 39 V HN 0.584 nan 8.190 nan 0.000 0.439 40 L N 4.415 125.623 121.223 -0.024 0.000 2.264 40 L HA 0.516 4.856 4.340 0.000 0.000 0.289 40 L C 0.520 177.378 176.870 -0.020 0.000 1.044 40 L CA -0.280 54.546 54.840 -0.024 0.000 0.807 40 L CB 1.318 43.360 42.059 -0.028 0.000 1.192 40 L HN 0.652 nan 8.230 nan 0.000 0.425 41 E N 4.121 124.308 120.200 -0.021 0.000 2.344 41 E HA 0.123 4.474 4.350 0.000 0.000 0.270 41 E C -0.836 175.753 176.600 -0.019 0.000 1.021 41 E CA -0.538 55.849 56.400 -0.023 0.000 0.887 41 E CB 0.760 30.441 29.700 -0.031 0.000 0.997 41 E HN 0.292 nan 8.360 nan 0.000 0.429 42 K N 3.592 123.985 120.400 -0.010 0.000 2.156 42 K HA 0.191 4.511 4.320 0.000 0.000 0.254 42 K C 0.660 177.255 176.600 -0.008 0.000 0.950 42 K CA -0.552 55.741 56.287 0.010 0.000 0.849 42 K CB 1.384 33.905 32.500 0.036 0.000 1.100 42 K HN 0.480 nan 8.250 nan 0.000 0.434 43 K N 0.878 121.280 120.400 0.004 0.000 2.127 43 K HA -0.167 4.153 4.320 0.000 0.000 0.208 43 K C 0.985 177.368 176.600 -0.361 0.000 1.047 43 K CA 1.882 58.089 56.287 -0.133 0.000 0.927 43 K CB -0.071 32.435 32.500 0.011 0.000 0.716 43 K HN 0.358 nan 8.250 nan 0.000 0.450 44 F N -0.930 119.013 119.950 -0.010 0.000 2.347 44 F HA 0.213 4.740 4.527 0.001 0.000 0.266 44 F C 1.777 177.571 175.800 -0.009 0.000 0.884 44 F CA -0.083 57.911 58.000 -0.009 0.000 1.123 44 F CB -0.709 38.285 39.000 -0.009 0.000 1.098 44 F HN -0.039 nan 8.300 nan 0.000 0.803 45 G N 0.346 109.267 108.800 0.201 0.000 2.468 45 G HA2 0.309 4.270 3.960 0.000 0.000 0.264 45 G HA3 0.309 4.270 3.960 0.000 0.000 0.264 45 G C 0.206 175.139 174.900 0.056 0.000 1.460 45 G CA 0.203 45.365 45.100 0.103 0.000 1.060 45 G HN 0.329 nan 8.290 nan 0.000 0.543 46 S N 0.588 116.310 115.700 0.036 0.000 2.617 46 S HA 0.449 4.919 4.470 0.000 0.000 0.259 46 S C -1.712 172.897 174.600 0.015 0.000 1.301 46 S CA -0.604 57.608 58.200 0.019 0.000 0.984 46 S CB 1.374 64.582 63.200 0.014 0.000 0.954 46 S HN 0.560 nan 8.310 nan 0.000 0.572 47 P HA 0.309 nan 4.420 nan 0.000 0.293 47 P C -0.756 176.541 177.300 -0.004 0.000 1.304 47 P CA -0.460 62.639 63.100 -0.002 0.000 0.767 47 P CB 0.238 31.932 31.700 -0.009 0.000 1.247 48 T N 0.743 115.290 114.554 -0.012 0.000 2.767 48 T HA 0.480 4.830 4.350 0.000 0.000 0.284 48 T C 0.163 174.847 174.700 -0.027 0.000 0.973 48 T CA -0.234 61.853 62.100 -0.022 0.000 0.996 48 T CB -0.153 68.695 68.868 -0.033 0.000 0.927 48 T HN 0.180 nan 8.240 nan 0.000 0.456 49 I N 4.298 124.852 120.570 -0.026 0.000 2.388 49 I HA 0.272 4.443 4.170 0.000 0.000 0.281 49 I C 0.501 176.597 176.117 -0.035 0.000 1.046 49 I CA -0.418 60.867 61.300 -0.025 0.000 1.187 49 I CB 0.802 38.793 38.000 -0.014 0.000 1.351 49 I HN 0.581 nan 8.210 nan 0.000 0.472 50 T N 3.831 118.355 114.554 -0.049 0.000 2.870 50 T HA 0.381 4.731 4.350 0.000 0.000 0.277 50 T C 0.554 175.230 174.700 -0.040 0.000 1.000 50 T CA -0.749 61.311 62.100 -0.066 0.000 0.982 50 T CB 2.357 71.153 68.868 -0.120 0.000 1.249 50 T HN 0.525 nan 8.240 nan 0.000 0.589 51 K N 0.030 120.410 120.400 -0.034 0.000 2.586 51 K HA 0.119 4.440 4.320 0.000 0.000 0.198 51 K C -0.731 175.869 176.600 0.001 0.000 1.170 51 K CA -0.103 56.178 56.287 -0.010 0.000 1.069 51 K CB 0.670 33.171 32.500 0.002 0.000 0.944 51 K HN 0.583 nan 8.250 nan 0.000 0.572 52 D N -0.055 120.331 120.400 -0.024 0.000 2.274 52 D HA 0.126 4.766 4.640 0.000 0.000 0.239 52 D C 0.850 177.145 176.300 -0.009 0.000 1.104 52 D CA 0.060 54.061 54.000 0.002 0.000 0.840 52 D CB 1.709 42.474 40.800 -0.058 0.000 1.100 52 D HN 0.331 nan 8.370 nan 0.000 0.477 53 G N 3.153 111.961 108.800 0.014 0.000 2.739 53 G HA2 -0.282 3.678 3.960 0.000 0.000 0.216 53 G HA3 -0.282 3.678 3.960 0.000 0.000 0.216 53 G C 1.694 176.595 174.900 0.000 0.000 1.298 53 G CA 2.111 47.215 45.100 0.006 0.000 0.804 53 G HN 0.534 nan 8.290 nan 0.000 0.623 54 V N -0.477 119.444 119.914 0.012 0.000 2.313 54 V HA -0.265 3.855 4.120 0.000 0.000 0.253 54 V C 2.764 178.853 176.094 -0.008 0.000 1.070 54 V CA 2.912 65.217 62.300 0.007 0.000 1.057 54 V CB -1.825 30.011 31.823 0.022 0.000 0.653 54 V HN 0.401 nan 8.190 nan 0.000 0.450 55 T N 0.593 115.131 114.554 -0.027 0.000 2.652 55 T HA -0.175 4.175 4.350 0.000 0.000 0.267 55 T C 1.972 176.646 174.700 -0.043 0.000 1.039 55 T CA 2.060 64.126 62.100 -0.056 0.000 1.153 55 T CB -0.494 68.297 68.868 -0.129 0.000 0.863 55 T HN 0.379 nan 8.240 nan 0.000 0.428 56 V N 1.821 121.711 119.914 -0.040 0.000 2.237 56 V HA -0.179 3.941 4.120 0.000 0.000 0.245 56 V C 2.953 179.035 176.094 -0.021 0.000 1.046 56 V CA 1.757 64.039 62.300 -0.030 0.000 1.007 56 V CB -1.406 30.402 31.823 -0.025 0.000 0.638 56 V HN 0.560 nan 8.190 nan 0.000 0.445 57 A N -0.313 122.498 122.820 -0.015 0.000 1.940 57 A HA -0.344 3.976 4.320 0.000 0.000 0.221 57 A C 2.255 179.832 177.584 -0.012 0.000 1.190 57 A CA 2.521 54.551 52.037 -0.011 0.000 0.647 57 A CB -0.598 18.398 19.000 -0.006 0.000 0.821 57 A HN 0.586 nan 8.150 nan 0.000 0.457 58 K N -0.854 119.539 120.400 -0.012 0.000 2.211 58 K HA -0.092 4.228 4.320 0.000 0.000 0.203 58 K C 1.647 178.238 176.600 -0.014 0.000 1.050 58 K CA 1.111 57.392 56.287 -0.011 0.000 0.945 58 K CB -0.042 32.453 32.500 -0.009 0.000 0.732 58 K HN 0.424 nan 8.250 nan 0.000 0.451 59 E N 0.571 120.760 120.200 -0.017 0.000 2.358 59 E HA -0.031 4.319 4.350 0.000 0.000 0.195 59 E C 0.194 176.782 176.600 -0.019 0.000 1.010 59 E CA 0.301 56.691 56.400 -0.018 0.000 0.856 59 E CB 0.124 29.812 29.700 -0.021 0.000 0.795 59 E HN -0.026 nan 8.360 nan 0.000 0.504 60 V N 2.338 122.241 119.914 -0.019 0.000 2.479 60 V HA 0.037 4.157 4.120 0.000 0.000 0.281 60 V C 0.101 176.182 176.094 -0.022 0.000 1.031 60 V CA 0.196 62.484 62.300 -0.020 0.000 1.038 60 V CB 0.740 32.553 31.823 -0.018 0.000 0.981 60 V HN 0.018 nan 8.190 nan 0.000 0.478 61 E N 4.673 124.857 120.200 -0.027 0.000 2.265 61 E HA 0.520 4.870 4.350 0.000 0.000 0.262 61 E C -1.209 175.365 176.600 -0.043 0.000 0.889 61 E CA -0.397 55.983 56.400 -0.034 0.000 0.789 61 E CB 1.270 30.949 29.700 -0.034 0.000 1.221 61 E HN 0.589 nan 8.360 nan 0.000 0.414 62 L N 3.751 124.945 121.223 -0.050 0.000 2.357 62 L HA 0.408 4.748 4.340 0.000 0.000 0.273 62 L C 1.514 178.329 176.870 -0.092 0.000 1.080 62 L CA -0.366 54.439 54.840 -0.058 0.000 0.803 62 L CB 1.469 43.501 42.059 -0.046 0.000 1.174 62 L HN 0.740 nan 8.230 nan 0.000 0.443 63 E N 1.060 121.207 120.200 -0.088 0.000 2.152 63 E HA -0.172 4.178 4.350 0.000 0.000 0.192 63 E C 0.147 176.645 176.600 -0.171 0.000 0.983 63 E CA 0.544 56.873 56.400 -0.119 0.000 0.818 63 E CB 0.340 29.994 29.700 -0.076 0.000 0.758 63 E HN 0.690 nan 8.360 nan 0.000 0.467 64 D N -0.487 119.846 120.400 -0.112 0.000 2.317 64 D HA -0.019 4.622 4.640 0.000 0.000 0.252 64 D C 0.961 177.205 176.300 -0.094 0.000 1.174 64 D CA 0.002 53.952 54.000 -0.083 0.000 0.866 64 D CB 0.622 41.410 40.800 -0.020 0.000 1.127 64 D HN 0.111 nan 8.370 nan 0.000 0.467 65 H N 3.536 122.601 119.070 -0.008 0.000 2.255 65 H HA -0.189 4.367 4.556 -0.001 0.000 0.290 65 H C 1.813 177.134 175.328 -0.012 0.000 1.087 65 H CA 1.623 57.665 56.048 -0.010 0.000 1.213 65 H CB -0.120 29.636 29.762 -0.011 0.000 1.349 65 H HN 0.494 nan 8.280 nan 0.000 0.487 66 L N 0.507 121.799 121.223 0.116 0.000 2.042 66 L HA -0.179 4.161 4.340 0.000 0.000 0.210 66 L C 2.514 179.399 176.870 0.025 0.000 1.076 66 L CA 1.326 56.197 54.840 0.052 0.000 0.749 66 L CB -0.570 41.509 42.059 0.034 0.000 0.893 66 L HN 0.303 nan 8.230 nan 0.000 0.432 67 E N 0.088 120.296 120.200 0.015 0.000 2.153 67 E HA -0.237 4.113 4.350 0.000 0.000 0.194 67 E C 1.866 178.462 176.600 -0.007 0.000 0.988 67 E CA 1.245 57.645 56.400 0.000 0.000 0.811 67 E CB -0.075 29.621 29.700 -0.007 0.000 0.746 67 E HN 0.404 nan 8.360 nan 0.000 0.466 68 N N 0.896 119.588 118.700 -0.013 0.000 2.171 68 N HA -0.104 4.637 4.740 0.000 0.000 0.184 68 N C 1.670 177.178 175.510 -0.004 0.000 1.021 68 N CA 0.871 53.908 53.050 -0.021 0.000 0.854 68 N CB -0.038 38.420 38.487 -0.048 0.000 0.994 68 N HN 0.068 nan 8.380 nan 0.000 0.426 69 I N -0.050 120.526 120.570 0.010 0.000 2.185 69 I HA -0.255 3.915 4.170 0.000 0.000 0.246 69 I C 2.261 178.379 176.117 0.002 0.000 1.088 69 I CA 1.512 62.818 61.300 0.011 0.000 1.347 69 I CB -0.802 37.207 38.000 0.013 0.000 1.041 69 I HN 0.313 nan 8.210 nan 0.000 0.415 70 G N 0.280 109.080 108.800 0.001 0.000 2.402 70 G HA2 -0.200 3.761 3.960 0.000 0.000 0.216 70 G HA3 -0.200 3.761 3.960 0.000 0.000 0.216 70 G C 1.873 176.771 174.900 -0.003 0.000 1.162 70 G CA 0.750 45.850 45.100 -0.001 0.000 0.777 70 G HN 0.502 nan 8.290 nan 0.000 0.539 71 A N 0.053 122.870 122.820 -0.006 0.000 1.940 71 A HA -0.098 4.222 4.320 0.000 0.000 0.219 71 A C 2.422 180.002 177.584 -0.006 0.000 1.176 71 A CA 1.972 54.004 52.037 -0.008 0.000 0.631 71 A CB -0.308 18.684 19.000 -0.013 0.000 0.814 71 A HN 0.345 nan 8.150 nan 0.000 0.446 72 Q N -0.117 119.680 119.800 -0.005 0.000 1.965 72 Q HA -0.093 4.247 4.340 0.000 0.000 0.200 72 Q C 2.260 178.259 176.000 -0.002 0.000 0.981 72 Q CA 1.408 57.209 55.803 -0.003 0.000 0.834 72 Q CB -0.787 27.950 28.738 -0.001 0.000 0.900 72 Q HN 0.703 nan 8.270 nan 0.000 0.426 73 L N 0.478 121.700 121.223 -0.002 0.000 2.064 73 L HA -0.260 4.081 4.340 0.000 0.000 0.216 73 L C 2.487 179.356 176.870 -0.001 0.000 1.077 73 L CA 1.044 55.884 54.840 -0.001 0.000 0.766 73 L CB -0.635 41.423 42.059 -0.002 0.000 0.890 73 L HN 0.180 nan 8.230 nan 0.000 0.435 74 L N -0.447 120.776 121.223 -0.001 0.000 2.109 74 L HA -0.160 4.180 4.340 0.000 0.000 0.207 74 L C 2.526 179.395 176.870 -0.000 0.000 1.086 74 L CA 1.646 56.486 54.840 -0.001 0.000 0.760 74 L CB -0.383 41.675 42.059 -0.001 0.000 0.910 74 L HN 0.066 nan 8.230 nan 0.000 0.437 75 K N -0.486 119.913 120.400 -0.002 0.000 2.063 75 K HA -0.267 4.053 4.320 0.000 0.000 0.208 75 K C 2.040 178.641 176.600 0.001 0.000 1.048 75 K CA 1.822 58.108 56.287 -0.001 0.000 0.928 75 K CB -0.162 32.336 32.500 -0.003 0.000 0.713 75 K HN 0.461 nan 8.250 nan 0.000 0.442 76 E N 0.747 120.948 120.200 0.001 0.000 2.058 76 E HA -0.200 4.150 4.350 0.000 0.000 0.194 76 E C 1.897 178.499 176.600 0.003 0.000 0.997 76 E CA 1.351 57.752 56.400 0.002 0.000 0.801 76 E CB 0.087 29.788 29.700 0.001 0.000 0.746 76 E HN 0.017 nan 8.360 nan 0.000 0.450 77 V N 1.238 121.154 119.914 0.003 0.000 2.324 77 V HA -0.337 3.783 4.120 0.000 0.000 0.250 77 V C 2.438 178.535 176.094 0.006 0.000 1.060 77 V CA 1.982 64.284 62.300 0.004 0.000 1.042 77 V CB -0.917 30.908 31.823 0.004 0.000 0.650 77 V HN 0.490 nan 8.190 nan 0.000 0.450 78 A N 0.626 123.450 122.820 0.005 0.000 1.858 78 A HA -0.227 4.093 4.320 0.000 0.000 0.216 78 A C 2.580 180.171 177.584 0.011 0.000 1.190 78 A CA 2.623 54.665 52.037 0.008 0.000 0.617 78 A CB -0.906 18.097 19.000 0.006 0.000 0.827 78 A HN 0.689 nan 8.150 nan 0.000 0.443 79 S N -0.018 115.688 115.700 0.009 0.000 2.345 79 S HA -0.202 4.268 4.470 0.000 0.000 0.220 79 S C 1.910 176.517 174.600 0.012 0.000 1.031 79 S CA 1.735 59.942 58.200 0.012 0.000 0.996 79 S CB -0.452 62.753 63.200 0.008 0.000 0.882 79 S HN 0.406 nan 8.310 nan 0.000 0.445 80 K N 1.512 121.917 120.400 0.009 0.000 2.218 80 K HA -0.054 4.266 4.320 0.000 0.000 0.205 80 K C 1.922 178.528 176.600 0.010 0.000 1.046 80 K CA 2.031 58.324 56.287 0.009 0.000 0.933 80 K CB -1.177 31.327 32.500 0.007 0.000 0.728 80 K HN 0.525 nan 8.250 nan 0.000 0.454 81 T N -0.172 114.389 114.554 0.010 0.000 2.942 81 T HA -0.041 4.309 4.350 0.000 0.000 0.265 81 T C 1.477 176.185 174.700 0.013 0.000 1.062 81 T CA 1.222 63.328 62.100 0.011 0.000 1.139 81 T CB -0.331 68.543 68.868 0.010 0.000 0.883 81 T HN 0.378 nan 8.240 nan 0.000 0.468 82 N N 1.340 120.050 118.700 0.017 0.000 2.188 82 N HA -0.101 4.640 4.740 0.000 0.000 0.184 82 N C 1.369 176.891 175.510 0.019 0.000 1.018 82 N CA 1.165 54.228 53.050 0.022 0.000 0.858 82 N CB -0.142 38.363 38.487 0.031 0.000 0.989 82 N HN 0.169 nan 8.380 nan 0.000 0.426 83 D N -0.539 119.871 120.400 0.017 0.000 2.097 83 D HA -0.073 4.567 4.640 0.000 0.000 0.197 83 D C 1.803 178.112 176.300 0.015 0.000 0.984 83 D CA 0.891 54.901 54.000 0.016 0.000 0.826 83 D CB -0.360 40.449 40.800 0.015 0.000 0.973 83 D HN 0.094 nan 8.370 nan 0.000 0.460 84 V N 0.054 119.975 119.914 0.013 0.000 3.041 84 V HA 0.052 4.172 4.120 0.000 0.000 0.260 84 V C 1.723 177.822 176.094 0.009 0.000 1.105 84 V CA 1.523 63.829 62.300 0.011 0.000 1.125 84 V CB 0.040 31.869 31.823 0.009 0.000 0.730 84 V HN 0.264 nan 8.190 nan 0.000 0.479 85 A N -2.033 120.792 122.820 0.008 0.000 2.377 85 A HA 0.508 4.828 4.320 0.000 0.000 0.174 85 A C 1.760 179.345 177.584 0.003 0.000 1.663 85 A CA 0.982 53.022 52.037 0.005 0.000 1.219 85 A CB 0.410 19.412 19.000 0.004 0.000 1.499 85 A HN 1.049 nan 8.150 nan 0.000 0.481 86 G N -0.466 108.338 108.800 0.007 0.000 2.184 86 G HA2 -0.237 3.723 3.960 0.000 0.000 0.264 86 G HA3 -0.237 3.723 3.960 0.000 0.000 0.264 86 G C -0.056 174.844 174.900 0.001 0.000 0.975 86 G CA 1.035 46.137 45.100 0.004 0.000 0.642 86 G HN 0.977 nan 8.290 nan 0.000 0.536 87 D N -2.366 118.036 120.400 0.003 0.000 2.583 87 D HA 0.585 5.225 4.640 0.000 0.000 0.248 87 D C 0.822 177.125 176.300 0.006 0.000 1.209 87 D CA 1.014 55.016 54.000 0.003 0.000 0.848 87 D CB 0.687 41.480 40.800 -0.011 0.000 1.431 87 D HN 1.365 nan 8.370 nan 0.000 0.436 88 G N 0.421 109.225 108.800 0.007 0.000 2.160 88 G HA2 -0.288 3.672 3.960 0.000 0.000 0.244 88 G HA3 -0.288 3.672 3.960 0.000 0.000 0.244 88 G C 0.870 175.776 174.900 0.009 0.000 1.022 88 G CA 1.165 46.268 45.100 0.005 0.000 0.741 88 G HN 0.714 nan 8.290 nan 0.000 0.508 89 T N -2.673 111.891 114.554 0.016 0.000 2.812 89 T HA -0.063 4.287 4.350 0.000 0.000 0.264 89 T C 2.275 176.982 174.700 0.012 0.000 1.042 89 T CA 2.226 64.336 62.100 0.016 0.000 1.140 89 T CB -0.467 68.416 68.868 0.025 0.000 0.870 89 T HN 0.295 nan 8.240 nan 0.000 0.445 90 T N 2.273 116.834 114.554 0.011 0.000 2.674 90 T HA -0.122 4.228 4.350 0.000 0.000 0.265 90 T C 2.277 176.980 174.700 0.005 0.000 1.039 90 T CA 1.907 64.011 62.100 0.007 0.000 1.150 90 T CB -1.067 67.805 68.868 0.007 0.000 0.864 90 T HN 0.462 nan 8.240 nan 0.000 0.427 91 T N 1.936 116.492 114.554 0.004 0.000 2.737 91 T HA -0.116 4.235 4.350 0.000 0.000 0.269 91 T C 2.306 177.009 174.700 0.004 0.000 1.040 91 T CA 1.280 63.382 62.100 0.003 0.000 1.142 91 T CB -0.522 68.346 68.868 0.001 0.000 0.861 91 T HN 0.457 nan 8.240 nan 0.000 0.456 92 A N 1.108 123.931 122.820 0.005 0.000 1.930 92 A HA -0.075 4.245 4.320 0.000 0.000 0.217 92 A C 2.546 180.133 177.584 0.005 0.000 1.175 92 A CA 1.897 53.937 52.037 0.005 0.000 0.627 92 A CB -1.062 17.942 19.000 0.006 0.000 0.815 92 A HN 0.499 nan 8.150 nan 0.000 0.443 93 T N -0.100 114.457 114.554 0.005 0.000 2.643 93 T HA -0.147 4.203 4.350 0.000 0.000 0.264 93 T C 1.889 176.591 174.700 0.004 0.000 1.045 93 T CA 1.658 63.760 62.100 0.004 0.000 1.155 93 T CB -0.711 68.159 68.868 0.003 0.000 0.863 93 T HN 0.125 nan 8.240 nan 0.000 0.420 94 V N 1.824 121.740 119.914 0.004 0.000 2.250 94 V HA -0.205 3.916 4.120 0.000 0.000 0.250 94 V C 2.589 178.686 176.094 0.005 0.000 1.060 94 V CA 1.768 64.071 62.300 0.005 0.000 1.030 94 V CB -0.857 30.970 31.823 0.005 0.000 0.643 94 V HN 0.425 nan 8.190 nan 0.000 0.445 95 L N -0.192 121.034 121.223 0.005 0.000 2.129 95 L HA -0.216 4.124 4.340 0.000 0.000 0.212 95 L C 2.622 179.495 176.870 0.005 0.000 1.087 95 L CA 1.558 56.401 54.840 0.005 0.000 0.757 95 L CB -0.746 41.317 42.059 0.005 0.000 0.896 95 L HN 0.396 nan 8.230 nan 0.000 0.434 96 A N -0.677 122.146 122.820 0.004 0.000 1.872 96 A HA -0.248 4.072 4.320 0.000 0.000 0.214 96 A C 2.261 179.847 177.584 0.004 0.000 1.187 96 A CA 1.566 53.605 52.037 0.004 0.000 0.614 96 A CB -0.517 18.485 19.000 0.003 0.000 0.826 96 A HN 0.453 nan 8.150 nan 0.000 0.442 97 Q N -0.367 119.436 119.800 0.004 0.000 2.002 97 Q HA -0.190 4.150 4.340 0.000 0.000 0.204 97 Q C 2.238 178.240 176.000 0.005 0.000 0.988 97 Q CA 2.030 57.835 55.803 0.004 0.000 0.843 97 Q CB -0.421 28.319 28.738 0.004 0.000 0.908 97 Q HN 0.579 nan 8.270 nan 0.000 0.420 98 A N 0.989 123.812 122.820 0.005 0.000 1.884 98 A HA -0.248 4.072 4.320 0.000 0.000 0.219 98 A C 2.044 179.632 177.584 0.006 0.000 1.197 98 A CA 1.936 53.977 52.037 0.006 0.000 0.637 98 A CB -1.025 17.979 19.000 0.007 0.000 0.827 98 A HN 0.556 nan 8.150 nan 0.000 0.450 99 I N -0.392 120.182 120.570 0.006 0.000 2.264 99 I HA -0.226 3.945 4.170 0.000 0.000 0.248 99 I C 2.310 178.430 176.117 0.005 0.000 1.111 99 I CA 1.254 62.558 61.300 0.006 0.000 1.382 99 I CB -0.371 37.632 38.000 0.005 0.000 1.060 99 I HN 0.184 nan 8.210 nan 0.000 0.418 100 V N 1.802 121.719 119.914 0.005 0.000 2.358 100 V HA -0.252 3.868 4.120 0.000 0.000 0.246 100 V C 2.630 178.727 176.094 0.005 0.000 1.047 100 V CA 2.221 64.524 62.300 0.005 0.000 1.035 100 V CB -0.916 30.910 31.823 0.004 0.000 0.658 100 V HN 0.529 nan 8.190 nan 0.000 0.452 101 R N 1.014 121.517 120.500 0.005 0.000 2.056 101 R HA -0.170 4.170 4.340 0.000 0.000 0.227 101 R C 2.166 178.470 176.300 0.006 0.000 1.149 101 R CA 1.819 57.923 56.100 0.006 0.000 0.937 101 R CB -0.812 29.491 30.300 0.006 0.000 0.835 101 R HN 0.385 nan 8.270 nan 0.000 0.430 102 E N 0.950 121.154 120.200 0.006 0.000 2.187 102 E HA -0.136 4.215 4.350 0.000 0.000 0.199 102 E C 1.859 178.463 176.600 0.007 0.000 1.004 102 E CA 1.975 58.379 56.400 0.007 0.000 0.813 102 E CB -0.596 29.108 29.700 0.007 0.000 0.736 102 E HN 0.588 nan 8.360 nan 0.000 0.468 103 G N -0.131 108.673 108.800 0.007 0.000 2.395 103 G HA2 -0.142 3.818 3.960 0.000 0.000 0.214 103 G HA3 -0.142 3.818 3.960 0.000 0.000 0.214 103 G C 1.586 176.490 174.900 0.008 0.000 1.177 103 G CA 0.469 45.573 45.100 0.007 0.000 0.794 103 G HN 0.295 nan 8.290 nan 0.000 0.532 104 L N 0.351 121.578 121.223 0.008 0.000 2.131 104 L HA -0.067 4.273 4.340 0.000 0.000 0.210 104 L C 2.813 179.688 176.870 0.009 0.000 1.092 104 L CA 1.285 56.130 54.840 0.009 0.000 0.759 104 L CB -0.239 41.825 42.059 0.008 0.000 0.903 104 L HN 0.239 nan 8.230 nan 0.000 0.435 105 K N 0.402 120.806 120.400 0.008 0.000 1.991 105 K HA -0.205 4.115 4.320 0.000 0.000 0.212 105 K C 1.857 178.462 176.600 0.008 0.000 1.049 105 K CA 1.705 57.997 56.287 0.008 0.000 0.932 105 K CB -0.074 32.430 32.500 0.007 0.000 0.717 105 K HN 0.313 nan 8.250 nan 0.000 0.441 106 N N 0.668 119.373 118.700 0.008 0.000 2.272 106 N HA -0.142 4.598 4.740 0.000 0.000 0.185 106 N C 1.809 177.325 175.510 0.009 0.000 1.014 106 N CA 1.166 54.221 53.050 0.008 0.000 0.870 106 N CB -0.152 38.340 38.487 0.008 0.000 0.975 106 N HN 0.078 nan 8.380 nan 0.000 0.433 107 V N 1.392 121.312 119.914 0.010 0.000 2.453 107 V HA -0.116 4.004 4.120 0.000 0.000 0.247 107 V C 2.479 178.581 176.094 0.013 0.000 1.048 107 V CA 1.558 63.865 62.300 0.012 0.000 1.049 107 V CB -0.826 31.004 31.823 0.013 0.000 0.672 107 V HN 0.251 nan 8.190 nan 0.000 0.457 108 A N 0.291 123.119 122.820 0.013 0.000 1.933 108 A HA -0.058 4.262 4.320 0.000 0.000 0.218 108 A C 2.261 179.852 177.584 0.011 0.000 1.175 108 A CA 1.748 53.792 52.037 0.013 0.000 0.628 108 A CB -0.639 18.368 19.000 0.012 0.000 0.814 108 A HN 0.585 nan 8.150 nan 0.000 0.444 109 A N -1.866 120.960 122.820 0.010 0.000 2.239 109 A HA 0.377 4.697 4.320 0.000 0.000 0.209 109 A C 1.800 179.389 177.584 0.008 0.000 1.171 109 A CA 1.342 53.384 52.037 0.008 0.000 0.768 109 A CB -0.976 18.029 19.000 0.007 0.000 0.790 109 A HN 1.880 nan 8.150 nan 0.000 0.478 110 G N -2.342 106.463 108.800 0.010 0.000 2.179 110 G HA2 0.116 4.077 3.960 0.000 0.000 0.220 110 G HA3 0.116 4.077 3.960 0.000 0.000 0.220 110 G C 0.489 175.394 174.900 0.010 0.000 0.990 110 G CA 0.160 45.266 45.100 0.010 0.000 0.646 110 G HN 1.619 nan 8.290 nan 0.000 0.517 111 A N 0.103 122.929 122.820 0.009 0.000 2.531 111 A HA 0.479 4.799 4.320 0.000 0.000 0.236 111 A C 0.573 178.163 177.584 0.010 0.000 1.062 111 A CA 0.848 52.891 52.037 0.009 0.000 0.760 111 A CB 0.136 19.141 19.000 0.009 0.000 0.995 111 A HN 1.183 nan 8.150 nan 0.000 0.501 112 N N 2.931 121.636 118.700 0.009 0.000 2.420 112 N HA 0.195 4.935 4.740 0.000 0.000 0.262 112 N C -1.168 174.348 175.510 0.010 0.000 1.144 112 N CA -1.828 51.228 53.050 0.010 0.000 0.952 112 N CB 0.913 39.405 38.487 0.009 0.000 1.081 112 N HN 0.299 nan 8.380 nan 0.000 0.480 113 P HA -0.181 nan 4.420 nan 0.000 0.217 113 P C 1.411 178.716 177.300 0.008 0.000 1.150 113 P CA 1.167 64.273 63.100 0.009 0.000 0.832 113 P CB 0.322 32.028 31.700 0.010 0.000 0.787 114 L N -0.220 121.008 121.223 0.008 0.000 1.990 114 L HA -0.200 4.140 4.340 0.000 0.000 0.213 114 L C 2.862 179.736 176.870 0.007 0.000 1.072 114 L CA 2.051 56.895 54.840 0.007 0.000 0.755 114 L CB -1.517 40.547 42.059 0.008 0.000 0.889 114 L HN -0.027 nan 8.230 nan 0.000 0.432 115 A N 0.003 122.827 122.820 0.007 0.000 1.933 115 A HA -0.152 4.169 4.320 0.000 0.000 0.218 115 A C 2.278 179.865 177.584 0.006 0.000 1.175 115 A CA 1.334 53.375 52.037 0.007 0.000 0.628 115 A CB -0.685 18.319 19.000 0.007 0.000 0.814 115 A HN 0.366 nan 8.150 nan 0.000 0.444 116 L N -0.789 120.439 121.223 0.007 0.000 2.079 116 L HA -0.234 4.106 4.340 0.000 0.000 0.210 116 L C 2.644 179.518 176.870 0.006 0.000 1.081 116 L CA 1.971 56.815 54.840 0.007 0.000 0.752 116 L CB -0.429 41.634 42.059 0.007 0.000 0.896 116 L HN 0.463 nan 8.230 nan 0.000 0.433 117 K N 0.200 120.604 120.400 0.006 0.000 1.985 117 K HA -0.191 4.129 4.320 0.000 0.000 0.210 117 K C 2.294 178.898 176.600 0.005 0.000 1.047 117 K CA 1.362 57.652 56.287 0.005 0.000 0.932 117 K CB -0.026 32.477 32.500 0.005 0.000 0.716 117 K HN 0.150 nan 8.250 nan 0.000 0.439 118 R N -0.484 120.019 120.500 0.005 0.000 2.133 118 R HA -0.183 4.158 4.340 0.000 0.000 0.245 118 R C 2.449 178.752 176.300 0.006 0.000 1.137 118 R CA 1.712 57.815 56.100 0.005 0.000 0.947 118 R CB -0.830 29.473 30.300 0.005 0.000 0.865 118 R HN 0.429 nan 8.270 nan 0.000 0.437 119 G N 1.100 109.903 108.800 0.006 0.000 2.418 119 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 119 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 119 G C 1.491 176.395 174.900 0.006 0.000 1.158 119 G CA 0.715 45.819 45.100 0.006 0.000 0.771 119 G HN 0.195 nan 8.290 nan 0.000 0.545 120 I N 0.486 121.060 120.570 0.006 0.000 2.179 120 I HA -0.166 4.004 4.170 0.000 0.000 0.242 120 I C 2.778 178.899 176.117 0.006 0.000 1.088 120 I CA 1.335 62.638 61.300 0.006 0.000 1.357 120 I CB -0.320 37.683 38.000 0.006 0.000 1.051 120 I HN 0.269 nan 8.210 nan 0.000 0.409 121 E N 1.103 121.307 120.200 0.006 0.000 2.023 121 E HA -0.253 4.098 4.350 0.000 0.000 0.196 121 E C 2.199 178.802 176.600 0.006 0.000 1.003 121 E CA 1.433 57.836 56.400 0.006 0.000 0.809 121 E CB -0.085 29.619 29.700 0.005 0.000 0.755 121 E HN 0.417 nan 8.360 nan 0.000 0.449 122 K N 0.509 120.913 120.400 0.006 0.000 2.044 122 K HA -0.191 4.129 4.320 0.000 0.000 0.210 122 K C 2.274 178.878 176.600 0.006 0.000 1.049 122 K CA 1.253 57.544 56.287 0.006 0.000 0.927 122 K CB -0.284 32.220 32.500 0.006 0.000 0.713 122 K HN 0.087 nan 8.250 nan 0.000 0.443 123 A N 1.226 124.049 122.820 0.007 0.000 1.908 123 A HA -0.151 4.169 4.320 0.000 0.000 0.218 123 A C 2.443 180.031 177.584 0.007 0.000 1.181 123 A CA 1.730 53.772 52.037 0.007 0.000 0.627 123 A CB -0.764 18.240 19.000 0.007 0.000 0.818 123 A HN 0.097 nan 8.150 nan 0.000 0.445 124 V N 0.026 119.944 119.914 0.007 0.000 2.343 124 V HA -0.275 3.845 4.120 0.000 0.000 0.247 124 V C 2.370 178.468 176.094 0.007 0.000 1.051 124 V CA 2.218 64.522 62.300 0.007 0.000 1.036 124 V CB -0.975 30.852 31.823 0.006 0.000 0.654 124 V HN 0.631 nan 8.190 nan 0.000 0.451 125 E N 0.635 120.838 120.200 0.006 0.000 2.033 125 E HA -0.271 4.079 4.350 0.000 0.000 0.199 125 E C 2.385 178.989 176.600 0.007 0.000 1.011 125 E CA 1.527 57.931 56.400 0.006 0.000 0.815 125 E CB -0.441 29.262 29.700 0.006 0.000 0.755 125 E HN 0.579 nan 8.360 nan 0.000 0.451 126 A N 1.487 124.312 122.820 0.007 0.000 1.917 126 A HA -0.227 4.093 4.320 0.000 0.000 0.219 126 A C 2.396 179.985 177.584 0.008 0.000 1.182 126 A CA 2.087 54.129 52.037 0.008 0.000 0.633 126 A CB -0.777 18.228 19.000 0.008 0.000 0.819 126 A HN 0.326 nan 8.150 nan 0.000 0.448 127 A N -0.654 122.171 122.820 0.009 0.000 1.877 127 A HA 0.006 4.326 4.320 0.000 0.000 0.216 127 A C 2.244 179.833 177.584 0.009 0.000 1.186 127 A CA 1.839 53.881 52.037 0.009 0.000 0.620 127 A CB -0.993 18.012 19.000 0.009 0.000 0.822 127 A HN 0.454 nan 8.150 nan 0.000 0.443 128 V N 0.054 119.972 119.914 0.008 0.000 2.295 128 V HA -0.289 3.831 4.120 0.000 0.000 0.246 128 V C 2.493 178.591 176.094 0.007 0.000 1.049 128 V CA 2.305 64.609 62.300 0.007 0.000 1.024 128 V CB -0.868 30.959 31.823 0.006 0.000 0.648 128 V HN 0.747 nan 8.190 nan 0.000 0.447 129 E N 0.364 120.568 120.200 0.007 0.000 2.097 129 E HA -0.337 4.013 4.350 0.000 0.000 0.196 129 E C 2.180 178.785 176.600 0.008 0.000 1.000 129 E CA 1.830 58.235 56.400 0.007 0.000 0.804 129 E CB -0.048 29.657 29.700 0.007 0.000 0.740 129 E HN 0.499 nan 8.360 nan 0.000 0.454 130 K N 0.543 120.948 120.400 0.009 0.000 2.217 130 K HA -0.063 4.257 4.320 0.000 0.000 0.202 130 K C 1.807 178.413 176.600 0.011 0.000 1.051 130 K CA 0.875 57.169 56.287 0.011 0.000 0.952 130 K CB -0.113 32.395 32.500 0.012 0.000 0.736 130 K HN 0.188 nan 8.250 nan 0.000 0.453 131 I N 0.579 121.154 120.570 0.009 0.000 2.163 131 I HA -0.294 3.876 4.170 0.000 0.000 0.240 131 I C 2.058 178.179 176.117 0.008 0.000 1.081 131 I CA 1.363 62.668 61.300 0.008 0.000 1.353 131 I CB -0.283 37.721 38.000 0.007 0.000 1.054 131 I HN 0.122 nan 8.210 nan 0.000 0.407 132 K N 1.270 121.674 120.400 0.007 0.000 2.009 132 K HA -0.193 4.127 4.320 0.000 0.000 0.210 132 K C 2.291 178.896 176.600 0.008 0.000 1.049 132 K CA 1.718 58.009 56.287 0.007 0.000 0.929 132 K CB -0.494 32.010 32.500 0.006 0.000 0.714 132 K HN 0.312 nan 8.250 nan 0.000 0.440 133 A N 1.236 124.061 122.820 0.008 0.000 2.042 133 A HA -0.178 4.143 4.320 0.000 0.000 0.222 133 A C 1.933 179.523 177.584 0.010 0.000 1.167 133 A CA 1.571 53.614 52.037 0.009 0.000 0.649 133 A CB -0.596 18.410 19.000 0.010 0.000 0.809 133 A HN 0.248 nan 8.150 nan 0.000 0.457 134 L N -1.234 119.995 121.223 0.011 0.000 2.640 134 L HA 0.280 4.620 4.340 0.000 0.000 0.230 134 L C 1.174 178.050 176.870 0.010 0.000 1.123 134 L CA -0.102 54.745 54.840 0.012 0.000 0.900 134 L CB -0.146 41.922 42.059 0.015 0.000 1.146 134 L HN 0.339 nan 8.230 nan 0.000 0.484 135 A N 1.111 123.936 122.820 0.008 0.000 2.477 135 A HA 0.429 4.749 4.320 0.000 0.000 0.246 135 A C -0.171 177.417 177.584 0.006 0.000 1.078 135 A CA 0.211 52.252 52.037 0.006 0.000 0.770 135 A CB 0.110 19.113 19.000 0.005 0.000 1.011 135 A HN 0.190 nan 8.150 nan 0.000 0.494 136 I N 3.496 124.069 120.570 0.005 0.000 2.433 136 I HA 0.293 4.463 4.170 0.000 0.000 0.292 136 I C -2.326 173.794 176.117 0.004 0.000 1.001 136 I CA -2.259 59.044 61.300 0.005 0.000 1.119 136 I CB 2.526 40.529 38.000 0.005 0.000 1.289 136 I HN 0.431 nan 8.210 nan 0.000 0.438 137 P HA 0.079 nan 4.420 nan 0.000 0.271 137 P C -0.768 176.534 177.300 0.004 0.000 1.216 137 P CA -0.251 62.851 63.100 0.004 0.000 0.776 137 P CB 0.617 32.320 31.700 0.004 0.000 0.881 138 V N 3.364 123.280 119.914 0.004 0.000 2.508 138 V HA 0.102 4.222 4.120 0.000 0.000 0.281 138 V C 1.030 177.127 176.094 0.005 0.000 1.041 138 V CA 0.623 62.925 62.300 0.004 0.000 1.016 138 V CB 0.143 31.968 31.823 0.004 0.000 0.984 138 V HN 0.633 nan 8.190 nan 0.000 0.478 139 E N 2.419 122.622 120.200 0.005 0.000 2.789 139 E HA 0.183 4.533 4.350 0.000 0.000 0.217 139 E C -0.584 176.020 176.600 0.006 0.000 0.970 139 E CA -0.113 56.290 56.400 0.005 0.000 1.201 139 E CB 0.833 30.536 29.700 0.005 0.000 1.069 139 E HN 1.002 nan 8.360 nan 0.000 0.499 140 D N -1.081 119.323 120.400 0.007 0.000 2.725 140 D HA 0.065 4.705 4.640 0.000 0.000 0.292 140 D C 0.488 176.794 176.300 0.010 0.000 1.288 140 D CA -0.714 53.290 54.000 0.008 0.000 0.784 140 D CB 0.960 41.764 40.800 0.006 0.000 1.308 140 D HN -0.243 nan 8.370 nan 0.000 0.429 141 R N 0.514 121.021 120.500 0.012 0.000 2.103 141 R HA -0.168 4.172 4.340 0.000 0.000 0.242 141 R C 1.871 178.178 176.300 0.012 0.000 1.142 141 R CA 1.797 57.906 56.100 0.015 0.000 0.960 141 R CB -0.312 29.998 30.300 0.017 0.000 0.858 141 R HN 0.577 nan 8.270 nan 0.000 0.439 142 K N -0.205 120.199 120.400 0.008 0.000 1.985 142 K HA -0.112 4.208 4.320 0.000 0.000 0.210 142 K C 1.980 178.581 176.600 0.001 0.000 1.047 142 K CA 1.527 57.816 56.287 0.004 0.000 0.932 142 K CB -0.286 32.215 32.500 0.002 0.000 0.716 142 K HN 0.169 nan 8.250 nan 0.000 0.439 143 A N 1.453 124.273 122.820 0.001 0.000 2.009 143 A HA -0.217 4.103 4.320 0.000 0.000 0.222 143 A C 2.089 179.672 177.584 -0.002 0.000 1.175 143 A CA 1.815 53.852 52.037 -0.001 0.000 0.651 143 A CB -0.631 18.370 19.000 0.001 0.000 0.815 143 A HN 0.441 nan 8.150 nan 0.000 0.459 144 I N -1.612 118.960 120.570 0.003 0.000 2.339 144 I HA -0.149 4.021 4.170 0.000 0.000 0.245 144 I C 2.503 178.621 176.117 0.000 0.000 1.096 144 I CA 1.328 62.630 61.300 0.003 0.000 1.408 144 I CB -0.391 37.615 38.000 0.011 0.000 1.092 144 I HN 0.544 nan 8.210 nan 0.000 0.423 145 E N 1.396 121.597 120.200 0.003 0.000 2.130 145 E HA -0.271 4.079 4.350 0.000 0.000 0.196 145 E C 1.842 178.434 176.600 -0.014 0.000 0.998 145 E CA 1.607 58.006 56.400 -0.002 0.000 0.806 145 E CB 0.124 29.825 29.700 0.001 0.000 0.738 145 E HN 0.506 nan 8.360 nan 0.000 0.459 146 E N -0.038 120.153 120.200 -0.015 0.000 2.006 146 E HA -0.174 4.177 4.350 0.000 0.000 0.192 146 E C 2.291 178.875 176.600 -0.028 0.000 0.993 146 E CA 1.407 57.793 56.400 -0.024 0.000 0.808 146 E CB -0.204 29.483 29.700 -0.021 0.000 0.764 146 E HN 0.111 nan 8.360 nan 0.000 0.449 147 V N 1.828 121.729 119.914 -0.022 0.000 2.277 147 V HA -0.376 3.744 4.120 0.000 0.000 0.253 147 V C 2.367 178.443 176.094 -0.030 0.000 1.067 147 V CA 2.229 64.515 62.300 -0.023 0.000 1.047 147 V CB -0.905 30.909 31.823 -0.015 0.000 0.649 147 V HN 0.399 nan 8.190 nan 0.000 0.447 148 A N -0.681 122.122 122.820 -0.028 0.000 1.855 148 A HA -0.218 4.102 4.320 0.000 0.000 0.215 148 A C 2.386 179.932 177.584 -0.062 0.000 1.191 148 A CA 2.445 54.460 52.037 -0.038 0.000 0.613 148 A CB -1.172 17.815 19.000 -0.022 0.000 0.829 148 A HN 0.502 nan 8.150 nan 0.000 0.442 149 T N 0.506 115.025 114.554 -0.057 0.000 2.685 149 T HA -0.191 4.159 4.350 0.000 0.000 0.268 149 T C 1.772 176.427 174.700 -0.074 0.000 1.034 149 T CA 1.750 63.808 62.100 -0.071 0.000 1.149 149 T CB -0.486 68.348 68.868 -0.056 0.000 0.860 149 T HN 0.407 nan 8.240 nan 0.000 0.449 150 I N 0.433 120.966 120.570 -0.062 0.000 2.110 150 I HA -0.169 4.001 4.170 0.000 0.000 0.236 150 I C 2.781 178.860 176.117 -0.062 0.000 1.068 150 I CA 1.069 62.332 61.300 -0.062 0.000 1.333 150 I CB -0.512 37.455 38.000 -0.055 0.000 1.054 150 I HN 0.192 nan 8.210 nan 0.000 0.402 151 S N 0.237 115.904 115.700 -0.056 0.000 2.400 151 S HA -0.279 4.192 4.470 0.000 0.000 0.234 151 S C 1.867 176.427 174.600 -0.066 0.000 1.049 151 S CA 1.899 60.067 58.200 -0.053 0.000 1.039 151 S CB -0.219 62.952 63.200 -0.048 0.000 0.856 151 S HN 0.529 nan 8.310 nan 0.000 0.465 152 A N 0.068 122.832 122.820 -0.094 0.000 2.220 152 A HA 0.343 4.664 4.320 0.000 0.000 0.211 152 A C 0.875 178.391 177.584 -0.114 0.000 1.176 152 A CA 0.753 52.713 52.037 -0.129 0.000 0.834 152 A CB -0.375 18.493 19.000 -0.220 0.000 0.868 152 A HN 0.641 nan 8.150 nan 0.000 0.488 153 N N 0.070 118.715 118.700 -0.092 0.000 2.738 153 N HA -0.154 4.586 4.740 0.000 0.000 0.249 153 N C -1.143 174.313 175.510 -0.090 0.000 1.047 153 N CA 1.135 54.138 53.050 -0.079 0.000 0.707 153 N CB -0.854 37.596 38.487 -0.061 0.000 0.937 153 N HN 0.549 nan 8.380 nan 0.000 0.545 154 D N -2.205 118.130 120.400 -0.108 0.000 2.871 154 D HA 0.248 4.889 4.640 0.000 0.000 0.209 154 D C -2.316 173.922 176.300 -0.105 0.000 1.292 154 D CA -1.262 52.670 54.000 -0.113 0.000 0.869 154 D CB 1.580 42.283 40.800 -0.162 0.000 1.663 154 D HN -0.115 nan 8.370 nan 0.000 0.557 155 P HA -0.042 nan 4.420 nan 0.000 0.216 155 P C 0.956 178.226 177.300 -0.050 0.000 1.153 155 P CA 1.087 64.154 63.100 -0.055 0.000 0.848 155 P CB 0.532 32.209 31.700 -0.039 0.000 0.787 156 E N -0.453 119.718 120.200 -0.049 0.000 2.058 156 E HA -0.142 4.208 4.350 0.000 0.000 0.194 156 E C 2.011 178.592 176.600 -0.033 0.000 0.997 156 E CA 1.223 57.609 56.400 -0.023 0.000 0.801 156 E CB -0.864 28.830 29.700 -0.010 0.000 0.746 156 E HN 0.023 nan 8.360 nan 0.000 0.450 157 V N 1.005 120.821 119.914 -0.164 0.000 2.332 157 V HA -0.215 3.906 4.120 0.000 0.000 0.248 157 V C 2.370 178.403 176.094 -0.102 0.000 1.055 157 V CA 2.054 64.160 62.300 -0.323 0.000 1.038 157 V CB -0.951 30.432 31.823 -0.733 0.000 0.651 157 V HN 0.445 nan 8.190 nan 0.000 0.450 158 G N -0.766 107.978 108.800 -0.092 0.000 2.448 158 G HA2 -0.267 3.694 3.960 0.000 0.000 0.219 158 G HA3 -0.267 3.694 3.960 0.000 0.000 0.219 158 G C 1.615 176.517 174.900 0.004 0.000 1.127 158 G CA 0.979 46.056 45.100 -0.039 0.000 0.766 158 G HN 0.499 nan 8.290 nan 0.000 0.552 159 K N 0.230 120.638 120.400 0.013 0.000 1.973 159 K HA 0.054 4.374 4.320 0.000 0.000 0.210 159 K C 2.512 179.148 176.600 0.061 0.000 1.045 159 K CA 0.744 57.051 56.287 0.033 0.000 0.937 159 K CB -0.404 32.114 32.500 0.031 0.000 0.721 159 K HN 0.281 nan 8.250 nan 0.000 0.438 160 L N 1.431 122.710 121.223 0.093 0.000 2.021 160 L HA -0.261 4.079 4.340 0.000 0.000 0.215 160 L C 2.578 179.503 176.870 0.091 0.000 1.074 160 L CA 1.143 56.047 54.840 0.108 0.000 0.760 160 L CB -0.711 41.457 42.059 0.181 0.000 0.889 160 L HN 0.327 nan 8.230 nan 0.000 0.433 161 I N 0.138 120.779 120.570 0.119 0.000 2.335 161 I HA -0.252 3.918 4.170 0.000 0.000 0.251 161 I C 2.791 178.941 176.117 0.055 0.000 1.129 161 I CA 1.594 62.944 61.300 0.084 0.000 1.402 161 I CB -1.414 36.636 38.000 0.084 0.000 1.069 161 I HN 0.226 nan 8.210 nan 0.000 0.424 162 A N 0.680 123.531 122.820 0.052 0.000 1.854 162 A HA -0.165 4.155 4.320 0.000 0.000 0.214 162 A C 2.038 179.662 177.584 0.066 0.000 1.192 162 A CA 1.499 53.564 52.037 0.047 0.000 0.611 162 A CB -0.560 18.461 19.000 0.035 0.000 0.832 162 A HN 0.288 nan 8.150 nan 0.000 0.442 163 D N 0.378 120.826 120.400 0.079 0.000 2.127 163 D HA -0.169 4.471 4.640 0.000 0.000 0.190 163 D C 2.279 178.693 176.300 0.189 0.000 1.000 163 D CA 1.933 56.006 54.000 0.121 0.000 0.839 163 D CB -0.610 40.266 40.800 0.128 0.000 0.955 163 D HN 0.395 nan 8.370 nan 0.000 0.446 164 A N 0.791 123.691 122.820 0.135 0.000 1.851 164 A HA -0.217 4.103 4.320 0.000 0.000 0.216 164 A C 2.217 179.891 177.584 0.149 0.000 1.195 164 A CA 2.404 54.506 52.037 0.108 0.000 0.622 164 A CB -0.766 18.160 19.000 -0.123 0.000 0.831 164 A HN 0.214 nan 8.150 nan 0.000 0.444 165 M N 0.156 119.803 119.600 0.079 0.000 2.143 165 M HA -0.220 4.260 4.480 0.000 0.000 0.258 165 M C 1.875 178.223 176.300 0.079 0.000 1.071 165 M CA 2.472 57.811 55.300 0.065 0.000 1.088 165 M CB -0.523 32.102 32.600 0.042 0.000 1.360 165 M HN 0.645 nan 8.290 nan 0.000 0.404 166 E N 0.039 120.291 120.200 0.087 0.000 2.017 166 E HA -0.213 4.137 4.350 0.000 0.000 0.193 166 E C 0.692 177.333 176.600 0.069 0.000 0.997 166 E CA 1.306 57.746 56.400 0.067 0.000 0.804 166 E CB -0.093 29.641 29.700 0.057 0.000 0.757 166 E HN 0.508 nan 8.360 nan 0.000 0.448 167 K N 0.061 120.526 120.400 0.109 0.000 2.968 167 K HA 0.102 4.422 4.320 0.000 0.000 0.249 167 K C -0.129 176.548 176.600 0.128 0.000 1.062 167 K CA -0.147 56.164 56.287 0.039 0.000 1.215 167 K CB 0.844 33.250 32.500 -0.157 0.000 1.097 167 K HN 0.013 nan 8.250 nan 0.000 0.462 168 V N -1.009 118.981 119.914 0.126 0.000 3.777 168 V HA 0.123 4.243 4.120 0.000 0.000 0.285 168 V C 0.392 176.526 176.094 0.066 0.000 1.668 168 V CA -0.091 62.282 62.300 0.122 0.000 1.178 168 V CB 0.496 32.414 31.823 0.157 0.000 0.962 168 V HN 0.576 nan 8.190 nan 0.000 0.411 169 G N 2.501 111.332 108.800 0.052 0.000 2.967 169 G HA2 -0.287 3.673 3.960 0.000 0.000 0.684 169 G HA3 -0.287 3.673 3.960 0.000 0.000 0.684 169 G C 0.640 175.557 174.900 0.030 0.000 1.596 169 G CA 0.456 45.576 45.100 0.033 0.000 1.102 169 G HN 0.731 nan 8.290 nan 0.000 0.596 170 K N -0.095 120.319 120.400 0.022 0.000 2.286 170 K HA -0.110 4.210 4.320 0.000 0.000 0.203 170 K C 1.489 178.098 176.600 0.015 0.000 1.045 170 K CA 2.181 58.479 56.287 0.017 0.000 0.935 170 K CB 0.060 32.568 32.500 0.013 0.000 0.737 170 K HN 0.658 nan 8.250 nan 0.000 0.460 171 E N 0.951 121.160 120.200 0.015 0.000 2.474 171 E HA 0.079 4.430 4.350 0.000 0.000 0.195 171 E C 0.944 177.552 176.600 0.014 0.000 1.039 171 E CA -0.160 56.247 56.400 0.012 0.000 0.881 171 E CB 0.622 30.329 29.700 0.012 0.000 0.970 171 E HN 0.496 nan 8.360 nan 0.000 0.486 172 G N 1.114 109.926 108.800 0.020 0.000 2.468 172 G HA2 0.388 4.348 3.960 0.000 0.000 0.264 172 G HA3 0.388 4.348 3.960 0.000 0.000 0.264 172 G C -0.141 174.763 174.900 0.008 0.000 1.460 172 G CA -0.349 44.764 45.100 0.022 0.000 1.060 172 G HN 0.076 nan 8.290 nan 0.000 0.543 173 I N -0.278 120.294 120.570 0.003 0.000 2.644 173 I HA 0.339 4.509 4.170 0.000 0.000 0.291 173 I C -1.028 175.067 176.117 -0.036 0.000 1.180 173 I CA -0.437 60.853 61.300 -0.018 0.000 1.040 173 I CB 2.322 40.306 38.000 -0.027 0.000 1.255 173 I HN 0.209 nan 8.210 nan 0.000 0.422 174 I N 4.871 125.414 120.570 -0.046 0.000 2.530 174 I HA 0.502 4.672 4.170 0.000 0.000 0.297 174 I C -0.451 175.617 176.117 -0.082 0.000 1.011 174 I CA -0.455 60.799 61.300 -0.077 0.000 1.107 174 I CB 2.334 40.294 38.000 -0.066 0.000 1.285 174 I HN 0.391 nan 8.210 nan 0.000 0.436 175 T N 4.453 118.938 114.554 -0.115 0.000 2.893 175 T HA 0.459 4.809 4.350 0.000 0.000 0.293 175 T C -0.594 174.017 174.700 -0.148 0.000 1.027 175 T CA -0.450 61.585 62.100 -0.109 0.000 0.988 175 T CB 2.304 71.113 68.868 -0.099 0.000 1.043 175 T HN 0.192 nan 8.240 nan 0.000 0.461 176 V N 3.466 123.304 119.914 -0.127 0.000 2.350 176 V HA 0.498 4.618 4.120 0.000 0.000 0.276 176 V C 0.085 176.101 176.094 -0.130 0.000 1.028 176 V CA -0.528 61.672 62.300 -0.167 0.000 0.860 176 V CB 1.119 32.868 31.823 -0.122 0.000 0.990 176 V HN 0.833 nan 8.190 nan 0.000 0.453 177 E N 2.294 122.400 120.200 -0.157 0.000 2.336 177 E HA 0.404 4.755 4.350 0.000 0.000 0.267 177 E C -0.872 175.665 176.600 -0.106 0.000 0.906 177 E CA -0.876 55.457 56.400 -0.111 0.000 0.781 177 E CB 2.565 32.202 29.700 -0.106 0.000 1.261 177 E HN 0.714 nan 8.360 nan 0.000 0.436 178 E N 1.565 121.723 120.200 -0.070 0.000 1.865 178 E HA 0.091 4.441 4.350 0.000 0.000 0.269 178 E C -0.289 176.280 176.600 -0.052 0.000 1.177 178 E CA -0.158 56.211 56.400 -0.051 0.000 0.932 178 E CB 0.556 30.238 29.700 -0.031 0.000 1.066 178 E HN 0.373 nan 8.360 nan 0.000 0.405 179 S N 3.532 119.196 115.700 -0.060 0.000 2.611 179 S HA 0.026 4.497 4.470 0.000 0.000 0.252 179 S C 0.949 175.529 174.600 -0.033 0.000 1.369 179 S CA 0.055 58.224 58.200 -0.052 0.000 0.975 179 S CB 0.592 63.760 63.200 -0.053 0.000 0.937 179 S HN 0.500 nan 8.310 nan 0.000 0.584 180 K N 0.164 120.547 120.400 -0.027 0.000 2.435 180 K HA 0.195 4.516 4.320 0.000 0.000 0.199 180 K C 1.043 177.636 176.600 -0.012 0.000 1.153 180 K CA 0.373 56.649 56.287 -0.018 0.000 0.974 180 K CB -0.223 32.266 32.500 -0.018 0.000 0.997 180 K HN 0.704 nan 8.250 nan 0.000 0.547 181 S N 0.194 115.887 115.700 -0.012 0.000 2.652 181 S HA 0.275 4.745 4.470 0.000 0.000 0.267 181 S C 1.436 176.035 174.600 -0.002 0.000 1.201 181 S CA -0.548 57.648 58.200 -0.006 0.000 0.996 181 S CB 0.473 63.669 63.200 -0.006 0.000 1.054 181 S HN 0.049 nan 8.310 nan 0.000 0.561 182 L N -0.291 120.933 121.223 0.003 0.000 2.341 182 L HA 0.243 4.583 4.340 0.000 0.000 0.214 182 L C 1.363 178.241 176.870 0.013 0.000 1.115 182 L CA 0.718 55.563 54.840 0.009 0.000 0.820 182 L CB -0.326 41.739 42.059 0.009 0.000 0.944 182 L HN 0.753 nan 8.230 nan 0.000 0.452 183 E N -0.147 120.059 120.200 0.009 0.000 2.277 183 E HA 0.188 4.538 4.350 0.000 0.000 0.274 183 E C -0.641 175.963 176.600 0.006 0.000 1.022 183 E CA -0.453 55.956 56.400 0.014 0.000 0.853 183 E CB 1.299 31.006 29.700 0.011 0.000 1.086 183 E HN -0.101 nan 8.360 nan 0.000 0.397 184 T N 3.343 117.908 114.554 0.019 0.000 2.889 184 T HA 0.284 4.635 4.350 0.000 0.000 0.291 184 T C -0.669 174.016 174.700 -0.025 0.000 0.995 184 T CA -0.441 61.655 62.100 -0.006 0.000 1.092 184 T CB 0.860 69.760 68.868 0.053 0.000 0.954 184 T HN 0.416 nan 8.240 nan 0.000 0.506 185 E N 1.174 121.330 120.200 -0.074 0.000 2.293 185 E HA 0.495 4.846 4.350 0.000 0.000 0.270 185 E C -1.412 175.113 176.600 -0.125 0.000 0.879 185 E CA -0.974 55.384 56.400 -0.070 0.000 0.756 185 E CB 2.201 31.869 29.700 -0.053 0.000 1.208 185 E HN 0.254 nan 8.360 nan 0.000 0.428 186 L N 2.422 123.580 121.223 -0.109 0.000 2.287 186 L HA 0.477 4.817 4.340 0.000 0.000 0.287 186 L C -1.330 175.424 176.870 -0.193 0.000 1.022 186 L CA -0.081 54.642 54.840 -0.194 0.000 0.814 186 L CB 0.483 42.446 42.059 -0.160 0.000 1.217 186 L HN 0.422 nan 8.230 nan 0.000 0.420 187 K N 4.995 125.219 120.400 -0.293 0.000 2.464 187 K HA 0.538 4.858 4.320 0.000 0.000 0.253 187 K C -1.531 174.888 176.600 -0.301 0.000 0.933 187 K CA -0.460 55.721 56.287 -0.175 0.000 0.801 187 K CB 2.019 34.474 32.500 -0.075 0.000 1.271 187 K HN 0.297 nan 8.250 nan 0.000 0.430 188 F N 0.754 120.682 119.950 -0.036 0.000 2.425 188 F HA 0.365 4.893 4.527 0.001 0.000 0.331 188 F C 0.307 176.085 175.800 -0.038 0.000 1.085 188 F CA -1.048 56.931 58.000 -0.035 0.000 1.028 188 F CB 1.280 40.264 39.000 -0.026 0.000 1.177 188 F HN 0.019 nan 8.300 nan 0.000 0.487 189 V N 2.307 122.299 119.914 0.131 0.000 2.383 189 V HA 0.203 4.324 4.120 0.000 0.000 0.275 189 V C -0.206 175.925 176.094 0.061 0.000 1.036 189 V CA -0.854 61.477 62.300 0.053 0.000 0.889 189 V CB 1.075 32.891 31.823 -0.011 0.000 0.985 189 V HN 0.681 nan 8.190 nan 0.000 0.459 190 E N 3.915 124.141 120.200 0.042 0.000 2.229 190 E HA 0.541 4.891 4.350 0.000 0.000 0.283 190 E C 0.773 177.390 176.600 0.030 0.000 1.030 190 E CA 0.553 56.973 56.400 0.033 0.000 0.836 190 E CB 1.296 31.009 29.700 0.022 0.000 1.068 190 E HN 0.993 nan 8.360 nan 0.000 0.401 191 G N 2.626 111.452 108.800 0.044 0.000 2.593 191 G HA2 -0.324 3.637 3.960 0.000 0.000 0.237 191 G HA3 -0.324 3.637 3.960 0.000 0.000 0.237 191 G C -1.210 173.754 174.900 0.107 0.000 1.312 191 G CA -0.395 44.751 45.100 0.077 0.000 0.896 191 G HN 0.536 nan 8.290 nan 0.000 0.574 192 Y N 1.912 122.225 120.300 0.023 0.000 2.361 192 Y HA 0.616 5.166 4.550 0.000 0.000 0.332 192 Y C 0.291 176.208 175.900 0.028 0.000 1.101 192 Y CA 0.272 58.402 58.100 0.051 0.000 1.137 192 Y CB 1.744 40.254 38.460 0.083 0.000 1.207 192 Y HN 1.074 nan 8.280 nan 0.000 0.463 193 Q N 4.636 124.313 119.800 -0.205 0.000 2.426 193 Q HA 0.586 4.926 4.340 0.000 0.000 0.278 193 Q C -2.176 173.725 176.000 -0.164 0.000 1.007 193 Q CA -0.811 54.879 55.803 -0.188 0.000 0.850 193 Q CB 1.758 30.384 28.738 -0.187 0.000 1.427 193 Q HN 0.528 nan 8.270 nan 0.000 0.391 194 F N -1.295 118.633 119.950 -0.037 0.000 2.643 194 F HA 0.623 5.150 4.527 0.000 0.000 0.314 194 F C -0.732 175.065 175.800 -0.006 0.000 1.096 194 F CA -1.216 56.769 58.000 -0.024 0.000 0.953 194 F CB 1.438 40.475 39.000 0.063 0.000 1.345 194 F HN 0.441 nan 8.300 nan 0.000 0.468 195 D N 2.529 123.033 120.400 0.174 0.000 2.845 195 D HA 0.164 4.804 4.640 0.000 0.000 0.235 195 D C -0.526 175.859 176.300 0.141 0.000 1.158 195 D CA 0.254 54.301 54.000 0.079 0.000 0.990 195 D CB 0.145 40.975 40.800 0.051 0.000 1.094 195 D HN 0.290 nan 8.370 nan 0.000 0.486 196 K N 0.428 120.920 120.400 0.154 0.000 2.513 196 K HA 0.529 4.849 4.320 0.000 0.000 0.251 196 K C 0.197 176.822 176.600 0.042 0.000 0.939 196 K CA -0.705 55.697 56.287 0.191 0.000 0.793 196 K CB 2.946 35.709 32.500 0.439 0.000 1.241 196 K HN 0.189 nan 8.250 nan 0.000 0.431 197 G N 0.796 109.586 108.800 -0.017 0.000 2.887 197 G HA2 0.460 4.421 3.960 0.000 0.000 0.277 197 G HA3 0.460 4.421 3.960 0.000 0.000 0.277 197 G C -0.845 174.048 174.900 -0.011 0.000 1.346 197 G CA -0.647 44.362 45.100 -0.152 0.000 1.058 197 G HN 0.451 nan 8.290 nan 0.000 0.535 198 Y N -0.483 119.899 120.300 0.138 0.000 2.721 198 Y HA 0.229 4.780 4.550 0.000 0.000 0.329 198 Y C 1.350 177.367 175.900 0.196 0.000 1.211 198 Y CA -1.185 57.061 58.100 0.243 0.000 1.512 198 Y CB -0.078 38.558 38.460 0.292 0.000 1.249 198 Y HN 0.251 nan 8.280 nan 0.000 0.549 199 I N 1.744 122.598 120.570 0.474 0.000 3.241 199 I HA -0.113 4.057 4.170 0.000 0.000 0.280 199 I C 0.745 176.948 176.117 0.143 0.000 1.320 199 I CA 1.166 62.646 61.300 0.300 0.000 1.413 199 I CB -0.348 37.842 38.000 0.317 0.000 1.060 199 I HN 0.664 nan 8.210 nan 0.000 0.500 200 S N 0.280 115.964 115.700 -0.026 0.000 2.584 200 S HA 0.287 4.757 4.470 0.000 0.000 0.280 200 S C -2.090 172.205 174.600 -0.508 0.000 1.162 200 S CA -0.991 57.007 58.200 -0.337 0.000 0.951 200 S CB 1.682 64.502 63.200 -0.633 0.000 1.108 200 S HN -0.173 nan 8.310 nan 0.000 0.464 201 P HA -0.110 nan 4.420 nan 0.000 0.226 201 P C 0.750 177.687 177.300 -0.604 0.000 1.146 201 P CA 1.048 63.797 63.100 -0.585 0.000 0.773 201 P CB -0.213 31.263 31.700 -0.374 0.000 0.772 202 Y N -1.204 118.798 120.300 -0.497 0.000 2.439 202 Y HA -0.014 4.537 4.550 0.000 0.000 0.292 202 Y C 2.261 178.037 175.900 -0.207 0.000 1.130 202 Y CA 0.693 58.594 58.100 -0.332 0.000 1.254 202 Y CB -1.100 37.189 38.460 -0.286 0.000 1.000 202 Y HN -0.111 nan 8.280 nan 0.000 0.554 203 F N -0.984 118.920 119.950 -0.077 0.000 2.699 203 F HA -0.045 4.482 4.527 0.000 0.000 0.298 203 F C 0.839 176.543 175.800 -0.159 0.000 1.154 203 F CA -0.497 57.452 58.000 -0.085 0.000 1.457 203 F CB -0.266 38.711 39.000 -0.039 0.000 1.106 203 F HN -0.284 nan 8.300 nan 0.000 0.585 204 V N 1.266 121.078 119.914 -0.170 0.000 2.557 204 V HA -0.143 3.977 4.120 0.000 0.000 0.301 204 V C 1.071 177.156 176.094 -0.014 0.000 1.026 204 V CA 0.978 63.188 62.300 -0.151 0.000 1.137 204 V CB 0.934 32.621 31.823 -0.226 0.000 0.917 204 V HN 0.269 nan 8.190 nan 0.000 0.484 205 T N 3.307 117.875 114.554 0.024 0.000 3.021 205 T HA 0.038 4.389 4.350 0.000 0.000 0.245 205 T C 0.882 175.597 174.700 0.026 0.000 1.028 205 T CA 0.372 62.493 62.100 0.035 0.000 1.139 205 T CB -0.029 68.867 68.868 0.047 0.000 0.884 205 T HN 0.559 nan 8.240 nan 0.000 0.457 206 N N 1.510 120.227 118.700 0.029 0.000 2.424 206 N HA 0.268 5.008 4.740 0.000 0.000 0.271 206 N C -2.387 173.133 175.510 0.016 0.000 0.985 206 N CA -2.129 50.935 53.050 0.024 0.000 0.921 206 N CB 2.294 40.800 38.487 0.031 0.000 1.149 206 N HN -0.050 nan 8.380 nan 0.000 0.492 207 P HA 0.125 nan 4.420 nan 0.000 0.235 207 P C 0.394 177.697 177.300 0.005 0.000 1.177 207 P CA 0.815 63.914 63.100 -0.001 0.000 0.785 207 P CB 0.736 32.434 31.700 -0.003 0.000 0.885 208 E N -0.913 119.294 120.200 0.010 0.000 2.276 208 E HA -0.014 4.337 4.350 0.000 0.000 0.193 208 E C 1.319 177.928 176.600 0.016 0.000 0.983 208 E CA 1.313 57.719 56.400 0.011 0.000 0.861 208 E CB 0.018 29.723 29.700 0.009 0.000 0.817 208 E HN 0.287 nan 8.360 nan 0.000 0.485 209 T N -2.361 112.208 114.554 0.025 0.000 3.010 209 T HA 0.113 4.463 4.350 0.000 0.000 0.257 209 T C 0.860 175.594 174.700 0.056 0.000 1.020 209 T CA -0.340 61.780 62.100 0.033 0.000 0.938 209 T CB 0.397 69.284 68.868 0.031 0.000 1.049 209 T HN -0.094 nan 8.240 nan 0.000 0.522 210 M N 1.176 120.815 119.600 0.064 0.000 2.576 210 M HA -0.137 4.343 4.480 0.000 0.000 0.200 210 M C -0.422 176.012 176.300 0.223 0.000 0.487 210 M CA 0.696 56.066 55.300 0.117 0.000 0.553 210 M CB -2.566 30.110 32.600 0.126 0.000 2.042 210 M HN 0.609 nan 8.290 nan 0.000 0.758 211 E N -0.537 119.759 120.200 0.160 0.000 2.249 211 E HA 0.779 5.129 4.350 0.000 0.000 0.263 211 E C 0.006 176.709 176.600 0.171 0.000 0.950 211 E CA -0.435 56.081 56.400 0.193 0.000 0.827 211 E CB 1.662 31.423 29.700 0.101 0.000 1.220 211 E HN 0.351 nan 8.360 nan 0.000 0.411 212 A N 1.601 124.541 122.820 0.201 0.000 2.360 212 A HA 0.421 4.741 4.320 0.000 0.000 0.309 212 A C -0.914 176.733 177.584 0.105 0.000 1.311 212 A CA -0.552 51.577 52.037 0.154 0.000 0.805 212 A CB 0.436 19.578 19.000 0.236 0.000 1.144 212 A HN 0.275 nan 8.150 nan 0.000 0.486 213 V N 4.249 124.205 119.914 0.070 0.000 2.350 213 V HA 0.338 4.458 4.120 0.000 0.000 0.276 213 V C -0.198 175.919 176.094 0.038 0.000 1.028 213 V CA -0.132 62.197 62.300 0.047 0.000 0.860 213 V CB 0.986 32.831 31.823 0.036 0.000 0.990 213 V HN 0.723 nan 8.190 nan 0.000 0.453 214 L N 5.052 126.294 121.223 0.031 0.000 2.294 214 L HA 0.536 4.876 4.340 0.000 0.000 0.283 214 L C 0.069 176.947 176.870 0.014 0.000 1.015 214 L CA -0.543 54.311 54.840 0.024 0.000 0.831 214 L CB 1.404 43.477 42.059 0.024 0.000 1.217 214 L HN 0.523 nan 8.230 nan 0.000 0.420 215 E N 2.647 122.855 120.200 0.013 0.000 2.289 215 E HA 0.039 4.389 4.350 0.000 0.000 0.278 215 E C -0.343 176.253 176.600 -0.008 0.000 1.032 215 E CA -0.310 56.091 56.400 0.003 0.000 0.854 215 E CB 1.114 30.818 29.700 0.006 0.000 1.046 215 E HN 0.468 nan 8.360 nan 0.000 0.409 216 D N 1.720 122.102 120.400 -0.031 0.000 3.218 216 D HA -0.212 4.428 4.640 0.000 0.000 0.213 216 D C -1.399 174.851 176.300 -0.084 0.000 1.192 216 D CA 0.956 54.914 54.000 -0.070 0.000 0.940 216 D CB -0.462 40.304 40.800 -0.057 0.000 0.841 216 D HN 0.530 nan 8.370 nan 0.000 0.391 217 A N 2.110 124.865 122.820 -0.108 0.000 2.437 217 A HA 0.807 5.127 4.320 0.000 0.000 0.288 217 A C -0.717 176.749 177.584 -0.196 0.000 1.201 217 A CA -0.773 51.227 52.037 -0.062 0.000 0.795 217 A CB 0.913 19.931 19.000 0.031 0.000 1.359 217 A HN 0.180 nan 8.150 nan 0.000 0.435 218 F N -0.260 119.682 119.950 -0.013 0.000 2.422 218 F HA 0.606 5.133 4.527 0.000 0.000 0.333 218 F C -0.114 175.676 175.800 -0.018 0.000 1.095 218 F CA -0.224 57.767 58.000 -0.016 0.000 1.038 218 F CB 1.578 40.567 39.000 -0.018 0.000 1.156 218 F HN 0.183 nan 8.300 nan 0.000 0.483 219 I N 3.962 124.607 120.570 0.125 0.000 2.362 219 I HA 0.259 4.429 4.170 0.000 0.000 0.289 219 I C -0.904 175.251 176.117 0.062 0.000 0.994 219 I CA -0.462 60.880 61.300 0.070 0.000 1.158 219 I CB 1.501 39.517 38.000 0.026 0.000 1.315 219 I HN 0.330 nan 8.210 nan 0.000 0.451 220 L N 8.707 129.955 121.223 0.043 0.000 2.270 220 L HA 0.534 4.874 4.340 0.000 0.000 0.286 220 L C -0.569 176.294 176.870 -0.011 0.000 1.059 220 L CA 0.166 55.015 54.840 0.015 0.000 0.839 220 L CB 0.048 42.111 42.059 0.007 0.000 1.221 220 L HN 0.417 nan 8.230 nan 0.000 0.431 221 I N 6.251 126.799 120.570 -0.036 0.000 2.269 221 I HA 0.233 4.403 4.170 0.000 0.000 0.293 221 I C -0.554 175.517 176.117 -0.077 0.000 1.106 221 I CA -0.421 60.841 61.300 -0.063 0.000 1.248 221 I CB 0.729 38.675 38.000 -0.090 0.000 1.444 221 I HN 0.248 nan 8.210 nan 0.000 0.497 222 V N 6.448 126.326 119.914 -0.060 0.000 2.347 222 V HA 0.137 4.257 4.120 0.000 0.000 0.280 222 V C 1.074 177.131 176.094 -0.062 0.000 1.021 222 V CA -0.425 61.841 62.300 -0.056 0.000 0.847 222 V CB 1.487 33.291 31.823 -0.031 0.000 0.990 222 V HN 0.783 nan 8.190 nan 0.000 0.444 223 E N 5.182 125.341 120.200 -0.068 0.000 2.007 223 E HA -0.148 4.202 4.350 0.000 0.000 0.194 223 E C 1.130 177.697 176.600 -0.055 0.000 0.999 223 E CA 1.094 57.453 56.400 -0.068 0.000 0.811 223 E CB 0.137 29.800 29.700 -0.062 0.000 0.762 223 E HN 0.791 nan 8.360 nan 0.000 0.450 224 K N 0.968 121.345 120.400 -0.037 0.000 2.170 224 K HA 0.035 4.355 4.320 0.000 0.000 0.241 224 K C 0.412 176.994 176.600 -0.030 0.000 1.071 224 K CA -0.134 56.135 56.287 -0.030 0.000 0.822 224 K CB 0.268 32.761 32.500 -0.013 0.000 1.097 224 K HN -0.117 nan 8.250 nan 0.000 0.522 225 K N -0.526 119.860 120.400 -0.023 0.000 2.440 225 K HA 0.332 4.652 4.320 0.000 0.000 0.252 225 K C -0.749 175.849 176.600 -0.003 0.000 1.044 225 K CA -0.703 55.575 56.287 -0.015 0.000 0.962 225 K CB 0.843 33.336 32.500 -0.012 0.000 1.269 225 K HN 0.287 nan 8.250 nan 0.000 0.505 226 V N 1.417 121.335 119.914 0.006 0.000 2.610 226 V HA 0.043 4.163 4.120 0.000 0.000 0.288 226 V C -0.174 175.932 176.094 0.020 0.000 1.055 226 V CA -0.390 61.917 62.300 0.012 0.000 0.902 226 V CB 1.396 33.228 31.823 0.015 0.000 1.030 226 V HN 0.981 nan 8.190 nan 0.000 0.448 227 S N 1.932 117.642 115.700 0.016 0.000 2.648 227 S HA 0.158 4.629 4.470 0.000 0.000 0.270 227 S C 0.464 175.073 174.600 0.015 0.000 1.082 227 S CA -0.055 58.156 58.200 0.019 0.000 1.116 227 S CB 0.079 63.289 63.200 0.016 0.000 1.040 227 S HN 0.664 nan 8.310 nan 0.000 0.572 228 N N 1.713 120.420 118.700 0.011 0.000 2.408 228 N HA 0.263 5.003 4.740 0.000 0.000 0.257 228 N C 0.977 176.492 175.510 0.007 0.000 1.064 228 N CA -0.208 52.847 53.050 0.008 0.000 0.952 228 N CB 1.411 39.901 38.487 0.006 0.000 1.093 228 N HN 0.017 nan 8.380 nan 0.000 0.490 229 V N 4.878 124.796 119.914 0.006 0.000 2.392 229 V HA -0.262 3.859 4.120 0.000 0.000 0.249 229 V C 2.414 178.508 176.094 0.001 0.000 1.059 229 V CA 1.575 63.878 62.300 0.004 0.000 1.051 229 V CB -0.605 31.220 31.823 0.002 0.000 0.658 229 V HN 0.729 nan 8.190 nan 0.000 0.455 230 R N 0.277 120.777 120.500 0.000 0.000 2.113 230 R HA -0.233 4.107 4.340 0.000 0.000 0.231 230 R C 2.334 178.633 176.300 -0.001 0.000 1.129 230 R CA 2.156 58.255 56.100 -0.001 0.000 0.915 230 R CB -0.611 29.688 30.300 -0.001 0.000 0.837 230 R HN 0.592 nan 8.270 nan 0.000 0.430 231 E N 0.645 120.846 120.200 0.001 0.000 2.169 231 E HA -0.241 4.109 4.350 0.000 0.000 0.202 231 E C 2.123 178.723 176.600 0.000 0.000 1.016 231 E CA 1.282 57.684 56.400 0.003 0.000 0.817 231 E CB -0.202 29.502 29.700 0.007 0.000 0.736 231 E HN 0.345 nan 8.360 nan 0.000 0.462 232 L N 0.297 121.519 121.223 -0.002 0.000 2.007 232 L HA -0.179 4.161 4.340 0.000 0.000 0.205 232 L C 2.502 179.364 176.870 -0.014 0.000 1.073 232 L CA 0.707 55.543 54.840 -0.007 0.000 0.744 232 L CB -0.549 41.508 42.059 -0.005 0.000 0.898 232 L HN 0.170 nan 8.230 nan 0.000 0.435 233 L N -0.188 121.027 121.223 -0.012 0.000 2.125 233 L HA -0.308 4.033 4.340 0.000 0.000 0.234 233 L C -0.234 176.623 176.870 -0.023 0.000 1.110 233 L CA 2.120 56.950 54.840 -0.017 0.000 0.832 233 L CB -2.490 39.561 42.059 -0.013 0.000 0.922 233 L HN 0.266 nan 8.230 nan 0.000 0.449 234 P HA -0.238 nan 4.420 nan 0.000 0.216 234 P C 1.787 179.065 177.300 -0.035 0.000 1.167 234 P CA 2.042 65.129 63.100 -0.023 0.000 0.914 234 P CB -0.133 31.558 31.700 -0.014 0.000 0.793 235 I N -1.115 119.433 120.570 -0.036 0.000 2.202 235 I HA -0.205 3.965 4.170 0.000 0.000 0.242 235 I C 2.729 178.801 176.117 -0.075 0.000 1.091 235 I CA 1.180 62.446 61.300 -0.056 0.000 1.368 235 I CB -0.890 37.083 38.000 -0.045 0.000 1.058 235 I HN -0.162 nan 8.210 nan 0.000 0.410 236 L N 0.589 121.778 121.223 -0.057 0.000 2.129 236 L HA -0.242 4.098 4.340 0.000 0.000 0.212 236 L C 2.569 179.400 176.870 -0.066 0.000 1.087 236 L CA 1.541 56.346 54.840 -0.059 0.000 0.757 236 L CB -0.624 41.411 42.059 -0.039 0.000 0.896 236 L HN 0.332 nan 8.230 nan 0.000 0.434 237 E N -0.366 119.800 120.200 -0.058 0.000 2.028 237 E HA -0.220 4.130 4.350 0.000 0.000 0.190 237 E C 2.200 178.754 176.600 -0.077 0.000 0.984 237 E CA 0.992 57.359 56.400 -0.056 0.000 0.800 237 E CB -0.157 29.517 29.700 -0.042 0.000 0.758 237 E HN 0.559 nan 8.360 nan 0.000 0.448 238 Q N 0.634 120.381 119.800 -0.089 0.000 2.077 238 Q HA -0.186 4.154 4.340 0.000 0.000 0.206 238 Q C 2.420 178.311 176.000 -0.182 0.000 0.989 238 Q CA 1.764 57.496 55.803 -0.118 0.000 0.853 238 Q CB -0.270 28.395 28.738 -0.120 0.000 0.907 238 Q HN 0.134 nan 8.270 nan 0.000 0.418 239 V N 1.069 120.853 119.914 -0.217 0.000 2.244 239 V HA -0.287 3.833 4.120 0.000 0.000 0.244 239 V C 2.369 178.355 176.094 -0.179 0.000 1.042 239 V CA 1.760 63.881 62.300 -0.299 0.000 1.006 239 V CB -1.246 30.425 31.823 -0.253 0.000 0.641 239 V HN 0.449 nan 8.190 nan 0.000 0.446 240 A N -0.623 122.131 122.820 -0.110 0.000 1.940 240 A HA -0.371 3.950 4.320 0.000 0.000 0.221 240 A C 2.147 179.698 177.584 -0.056 0.000 1.190 240 A CA 2.475 54.473 52.037 -0.064 0.000 0.647 240 A CB -0.623 18.348 19.000 -0.048 0.000 0.821 240 A HN 0.688 nan 8.150 nan 0.000 0.457 241 Q N -1.357 118.402 119.800 -0.069 0.000 2.369 241 Q HA -0.069 4.272 4.340 0.000 0.000 0.206 241 Q C 1.854 177.825 176.000 -0.047 0.000 0.963 241 Q CA 1.409 57.182 55.803 -0.051 0.000 0.894 241 Q CB -0.184 28.523 28.738 -0.051 0.000 0.965 241 Q HN 0.728 nan 8.270 nan 0.000 0.475 242 T N -0.777 113.729 114.554 -0.080 0.000 2.951 242 T HA -0.018 4.332 4.350 0.000 0.000 0.268 242 T C 1.371 176.084 174.700 0.021 0.000 1.073 242 T CA 1.001 63.072 62.100 -0.047 0.000 1.134 242 T CB -0.123 68.654 68.868 -0.151 0.000 0.884 242 T HN 0.594 nan 8.240 nan 0.000 0.479 243 G N 1.405 110.210 108.800 0.009 0.000 2.162 243 G HA2 -0.229 3.731 3.960 0.000 0.000 0.260 243 G HA3 -0.229 3.731 3.960 0.000 0.000 0.260 243 G C 0.054 174.995 174.900 0.067 0.000 0.976 243 G CA 0.040 45.159 45.100 0.031 0.000 0.655 243 G HN 0.380 nan 8.290 nan 0.000 0.533 244 K N 0.414 120.883 120.400 0.116 0.000 2.118 244 K HA 0.591 4.911 4.320 0.000 0.000 0.254 244 K C -2.363 174.339 176.600 0.170 0.000 0.961 244 K CA -2.267 54.136 56.287 0.195 0.000 0.876 244 K CB 1.277 34.044 32.500 0.446 0.000 1.077 244 K HN 0.012 nan 8.250 nan 0.000 0.440 245 P HA 0.196 nan 4.420 nan 0.000 0.272 245 P C -0.901 176.481 177.300 0.136 0.000 1.240 245 P CA -0.478 62.679 63.100 0.094 0.000 0.791 245 P CB 0.485 32.221 31.700 0.059 0.000 0.978 246 L N 2.021 123.283 121.223 0.065 0.000 2.464 246 L HA 0.588 4.928 4.340 0.000 0.000 0.266 246 L C -1.782 175.088 176.870 0.001 0.000 0.965 246 L CA -0.797 54.084 54.840 0.068 0.000 0.833 246 L CB 1.822 43.900 42.059 0.031 0.000 1.296 246 L HN 0.115 nan 8.230 nan 0.000 0.405 247 L N 6.114 127.352 121.223 0.026 0.000 2.287 247 L HA 0.656 4.997 4.340 0.000 0.000 0.287 247 L C -1.169 175.706 176.870 0.009 0.000 1.022 247 L CA -0.006 54.836 54.840 0.002 0.000 0.814 247 L CB 1.130 43.211 42.059 0.038 0.000 1.217 247 L HN 0.566 nan 8.230 nan 0.000 0.420 248 I N 6.427 126.984 120.570 -0.022 0.000 2.336 248 I HA 0.377 4.547 4.170 0.000 0.000 0.292 248 I C -0.484 175.648 176.117 0.026 0.000 0.991 248 I CA -0.339 60.958 61.300 -0.006 0.000 1.227 248 I CB 1.392 39.375 38.000 -0.028 0.000 1.366 248 I HN 0.525 nan 8.210 nan 0.000 0.466 249 I N 6.238 126.822 120.570 0.024 0.000 2.420 249 I HA 0.617 4.787 4.170 0.000 0.000 0.282 249 I C -0.123 175.985 176.117 -0.014 0.000 1.019 249 I CA -0.135 61.181 61.300 0.026 0.000 1.130 249 I CB 1.448 39.457 38.000 0.015 0.000 1.262 249 I HN 0.661 nan 8.210 nan 0.000 0.454 250 A N 4.330 127.146 122.820 -0.006 0.000 2.566 250 A HA 0.412 4.732 4.320 0.000 0.000 0.292 250 A C 0.788 178.351 177.584 -0.034 0.000 1.112 250 A CA -0.558 51.464 52.037 -0.026 0.000 0.707 250 A CB 1.519 20.513 19.000 -0.010 0.000 1.302 250 A HN 0.773 nan 8.150 nan 0.000 0.409 251 E N -0.322 119.843 120.200 -0.058 0.000 2.197 251 E HA -0.245 4.105 4.350 0.000 0.000 0.205 251 E C 0.029 176.598 176.600 -0.051 0.000 1.029 251 E CA 2.223 58.574 56.400 -0.083 0.000 0.828 251 E CB 0.083 29.731 29.700 -0.087 0.000 0.737 251 E HN 0.653 nan 8.360 nan 0.000 0.464 252 D N -2.740 117.651 120.400 -0.016 0.000 2.742 252 D HA 0.173 4.813 4.640 0.000 0.000 0.262 252 D C -1.981 174.341 176.300 0.036 0.000 1.240 252 D CA -0.511 53.499 54.000 0.018 0.000 0.752 252 D CB 1.805 42.610 40.800 0.009 0.000 1.290 252 D HN -0.135 nan 8.370 nan 0.000 0.420 253 V N 2.645 122.599 119.914 0.067 0.000 2.385 253 V HA 0.416 4.536 4.120 0.000 0.000 0.277 253 V C 0.005 176.151 176.094 0.087 0.000 1.012 253 V CA -0.562 61.786 62.300 0.079 0.000 0.832 253 V CB 1.009 32.900 31.823 0.114 0.000 1.028 253 V HN 0.538 nan 8.190 nan 0.000 0.436 254 E N 3.050 123.286 120.200 0.060 0.000 2.447 254 E HA 0.856 5.206 4.350 0.000 0.000 0.251 254 E C 0.660 177.286 176.600 0.043 0.000 0.910 254 E CA -0.321 56.111 56.400 0.053 0.000 0.841 254 E CB 1.701 31.424 29.700 0.039 0.000 1.403 254 E HN 0.779 nan 8.360 nan 0.000 0.400 255 G N 1.268 110.089 108.800 0.035 0.000 2.582 255 G HA2 -0.453 3.507 3.960 0.000 0.000 0.288 255 G HA3 -0.453 3.507 3.960 0.000 0.000 0.288 255 G C 0.760 175.676 174.900 0.025 0.000 1.247 255 G CA 0.924 46.040 45.100 0.026 0.000 0.972 255 G HN 0.856 nan 8.290 nan 0.000 0.557 256 E N 0.454 120.665 120.200 0.018 0.000 2.208 256 E HA 0.223 4.573 4.350 0.000 0.000 0.193 256 E C 2.732 179.344 176.600 0.021 0.000 0.988 256 E CA 1.659 58.068 56.400 0.014 0.000 0.828 256 E CB -0.330 29.375 29.700 0.008 0.000 0.763 256 E HN 1.046 nan 8.360 nan 0.000 0.478 257 A N 2.072 124.908 122.820 0.026 0.000 1.859 257 A HA -0.198 4.122 4.320 0.000 0.000 0.217 257 A C 2.268 179.884 177.584 0.053 0.000 1.198 257 A CA 1.644 53.700 52.037 0.032 0.000 0.629 257 A CB -0.821 18.198 19.000 0.031 0.000 0.830 257 A HN 0.312 nan 8.150 nan 0.000 0.446 258 L N -0.230 121.036 121.223 0.073 0.000 1.989 258 L HA -0.094 4.246 4.340 0.000 0.000 0.211 258 L C 2.738 179.671 176.870 0.105 0.000 1.071 258 L CA 2.413 57.327 54.840 0.124 0.000 0.749 258 L CB -1.004 41.128 42.059 0.123 0.000 0.890 258 L HN 0.392 nan 8.230 nan 0.000 0.431 259 A N -1.496 121.354 122.820 0.049 0.000 1.927 259 A HA -0.294 4.026 4.320 0.000 0.000 0.220 259 A C 2.267 179.857 177.584 0.010 0.000 1.185 259 A CA 2.660 54.703 52.037 0.009 0.000 0.639 259 A CB -1.391 17.607 19.000 -0.005 0.000 0.820 259 A HN 0.568 nan 8.150 nan 0.000 0.451 260 T N 0.458 115.026 114.554 0.023 0.000 2.622 260 T HA -0.154 4.196 4.350 0.000 0.000 0.266 260 T C 1.834 176.554 174.700 0.033 0.000 1.047 260 T CA 1.618 63.728 62.100 0.017 0.000 1.159 260 T CB -0.512 68.364 68.868 0.014 0.000 0.863 260 T HN 0.387 nan 8.240 nan 0.000 0.422 261 L N 0.799 122.062 121.223 0.066 0.000 2.043 261 L HA -0.151 4.189 4.340 0.000 0.000 0.212 261 L C 2.686 179.661 176.870 0.175 0.000 1.075 261 L CA 1.085 55.978 54.840 0.089 0.000 0.752 261 L CB -0.806 41.307 42.059 0.091 0.000 0.891 261 L HN 0.162 nan 8.230 nan 0.000 0.432 262 V N -0.993 119.049 119.914 0.214 0.000 2.343 262 V HA -0.227 3.893 4.120 0.000 0.000 0.247 262 V C 2.357 178.438 176.094 -0.023 0.000 1.051 262 V CA 1.542 63.916 62.300 0.124 0.000 1.036 262 V CB -0.303 31.454 31.823 -0.110 0.000 0.654 262 V HN 0.223 nan 8.190 nan 0.000 0.451 263 V N 0.574 120.462 119.914 -0.043 0.000 2.427 263 V HA -0.193 3.927 4.120 0.000 0.000 0.248 263 V C 2.251 178.333 176.094 -0.020 0.000 1.051 263 V CA 1.908 64.173 62.300 -0.058 0.000 1.048 263 V CB -0.818 30.974 31.823 -0.051 0.000 0.666 263 V HN 0.578 nan 8.190 nan 0.000 0.456 264 N N 0.505 119.206 118.700 0.003 0.000 2.171 264 N HA -0.154 4.586 4.740 0.000 0.000 0.184 264 N C 1.894 177.416 175.510 0.019 0.000 1.021 264 N CA 1.315 54.369 53.050 0.006 0.000 0.854 264 N CB -0.169 38.320 38.487 0.003 0.000 0.994 264 N HN 0.405 nan 8.380 nan 0.000 0.426 265 K N 2.113 122.542 120.400 0.047 0.000 1.991 265 K HA -0.045 4.275 4.320 0.000 0.000 0.212 265 K C 2.038 178.674 176.600 0.061 0.000 1.049 265 K CA 1.211 57.544 56.287 0.076 0.000 0.932 265 K CB -0.759 31.852 32.500 0.185 0.000 0.717 265 K HN 0.094 nan 8.250 nan 0.000 0.441 266 L N 0.037 121.287 121.223 0.044 0.000 2.131 266 L HA -0.129 4.211 4.340 0.000 0.000 0.210 266 L C 2.690 179.568 176.870 0.013 0.000 1.092 266 L CA 1.291 56.145 54.840 0.024 0.000 0.759 266 L CB -0.342 41.701 42.059 -0.027 0.000 0.903 266 L HN 0.179 nan 8.230 nan 0.000 0.435 267 R N -0.138 120.365 120.500 0.005 0.000 2.073 267 R HA -0.053 4.287 4.340 0.000 0.000 0.229 267 R C 1.539 177.844 176.300 0.008 0.000 1.120 267 R CA 1.528 57.629 56.100 0.002 0.000 0.967 267 R CB -0.211 30.087 30.300 -0.004 0.000 0.862 267 R HN 0.390 nan 8.270 nan 0.000 0.436 268 G N -2.806 106.001 108.800 0.012 0.000 2.336 268 G HA2 -0.233 3.728 3.960 0.000 0.000 0.194 268 G HA3 -0.233 3.728 3.960 0.000 0.000 0.194 268 G C 1.031 175.936 174.900 0.008 0.000 0.999 268 G CA 0.339 45.447 45.100 0.013 0.000 0.669 268 G HN 0.316 nan 8.290 nan 0.000 0.482 269 T N -0.000 114.556 114.554 0.004 0.000 2.570 269 T HA 0.038 4.388 4.350 0.000 0.000 0.266 269 T C 0.688 175.387 174.700 -0.002 0.000 1.071 269 T CA 1.858 63.957 62.100 -0.001 0.000 1.172 269 T CB -0.018 68.847 68.868 -0.005 0.000 0.864 269 T HN 0.709 nan 8.240 nan 0.000 0.421 270 L N 0.808 122.031 121.223 -0.001 0.000 2.431 270 L HA 0.488 4.828 4.340 0.000 0.000 0.266 270 L C -0.577 176.293 176.870 0.000 0.000 0.978 270 L CA -0.735 54.102 54.840 -0.005 0.000 0.822 270 L CB 2.069 44.117 42.059 -0.019 0.000 1.310 270 L HN 0.151 nan 8.230 nan 0.000 0.409 271 S N 4.788 120.490 115.700 0.004 0.000 2.399 271 S HA 0.733 5.203 4.470 0.000 0.000 0.301 271 S C -0.254 174.331 174.600 -0.025 0.000 1.093 271 S CA -0.117 58.087 58.200 0.007 0.000 1.077 271 S CB 0.206 63.418 63.200 0.020 0.000 0.980 271 S HN 0.851 nan 8.310 nan 0.000 0.494 272 V N -0.276 119.592 119.914 -0.078 0.000 3.156 272 V HA 1.071 5.191 4.120 0.000 0.000 0.311 272 V C -0.296 175.539 176.094 -0.432 0.000 1.208 272 V CA -0.928 61.256 62.300 -0.192 0.000 1.063 272 V CB 1.064 32.761 31.823 -0.211 0.000 1.098 272 V HN 1.427 nan 8.190 nan 0.000 0.452 273 A N -0.013 122.451 122.820 -0.594 0.000 2.547 273 A HA 0.937 5.257 4.320 0.000 0.000 0.298 273 A C -0.574 176.693 177.584 -0.528 0.000 1.062 273 A CA -0.045 51.451 52.037 -0.902 0.000 0.748 273 A CB 1.032 19.896 19.000 -0.227 0.000 1.288 273 A HN 2.418 nan 8.150 nan 0.000 0.396 274 A N 1.086 123.624 122.820 -0.470 0.000 2.324 274 A HA 0.851 5.171 4.320 0.000 0.000 0.330 274 A C -0.720 176.993 177.584 0.215 0.000 1.165 274 A CA -0.581 51.463 52.037 0.011 0.000 0.813 274 A CB 1.221 20.308 19.000 0.144 0.000 1.197 274 A HN 1.687 nan 8.150 nan 0.000 0.484 275 V N 2.975 122.997 119.914 0.179 0.000 2.777 275 V HA 0.237 4.357 4.120 0.000 0.000 0.306 275 V C -0.225 175.980 176.094 0.186 0.000 1.112 275 V CA -0.933 61.503 62.300 0.227 0.000 0.917 275 V CB 2.124 34.113 31.823 0.276 0.000 1.018 275 V HN 1.020 nan 8.190 nan 0.000 0.426 276 K N 2.430 122.931 120.400 0.169 0.000 2.336 276 K HA 0.511 4.831 4.320 0.000 0.000 0.262 276 K C 0.517 177.143 176.600 0.044 0.000 0.992 276 K CA 0.102 56.445 56.287 0.093 0.000 0.927 276 K CB 0.599 33.152 32.500 0.087 0.000 0.956 276 K HN 0.851 nan 8.250 nan 0.000 0.495 277 A N 3.316 126.101 122.820 -0.059 0.000 2.448 277 A HA 0.147 4.467 4.320 0.000 0.000 0.239 277 A C -1.837 175.628 177.584 -0.198 0.000 1.080 277 A CA -0.943 50.987 52.037 -0.177 0.000 0.779 277 A CB -0.393 18.510 19.000 -0.161 0.000 1.026 277 A HN 0.475 nan 8.150 nan 0.000 0.499 278 P HA 0.070 nan 4.420 nan 0.000 0.273 278 P C 1.409 178.724 177.300 0.025 0.000 1.372 278 P CA 0.601 63.559 63.100 -0.238 0.000 0.736 278 P CB -0.372 31.149 31.700 -0.299 0.000 1.539 279 G N -1.398 107.452 108.800 0.082 0.000 1.963 279 G HA2 -0.044 3.916 3.960 0.000 0.000 0.907 279 G HA3 -0.044 3.916 3.960 0.000 0.000 0.907 279 G C -0.283 174.870 174.900 0.422 0.000 1.269 279 G CA 0.473 45.706 45.100 0.222 0.000 1.213 279 G HN 0.258 nan 8.290 nan 0.000 0.623 280 F N -1.936 118.011 119.950 -0.005 0.000 2.953 280 F HA 0.607 5.134 4.527 0.001 0.000 0.360 280 F C 1.417 177.215 175.800 -0.003 0.000 1.249 280 F CA 0.021 58.021 58.000 -0.000 0.000 1.063 280 F CB 0.441 39.450 39.000 0.014 0.000 1.500 280 F HN 0.982 nan 8.300 nan 0.000 0.517 281 G N 1.005 109.918 108.800 0.188 0.000 2.596 281 G HA2 -0.327 3.633 3.960 0.000 0.000 0.421 281 G HA3 -0.327 3.633 3.960 0.000 0.000 0.421 281 G C 0.575 175.500 174.900 0.041 0.000 1.364 281 G CA 0.964 46.120 45.100 0.093 0.000 0.954 281 G HN 0.620 nan 8.290 nan 0.000 0.524 282 D N 0.786 121.208 120.400 0.038 0.000 2.363 282 D HA -0.012 4.628 4.640 0.000 0.000 0.226 282 D C 2.438 178.746 176.300 0.014 0.000 1.020 282 D CA 0.942 54.952 54.000 0.016 0.000 0.892 282 D CB -0.026 40.783 40.800 0.015 0.000 0.900 282 D HN 0.641 nan 8.370 nan 0.000 0.531 283 R N 1.381 121.900 120.500 0.032 0.000 2.140 283 R HA 0.005 4.345 4.340 0.000 0.000 0.213 283 R C 2.019 178.327 176.300 0.014 0.000 1.059 283 R CA 0.383 56.497 56.100 0.024 0.000 1.000 283 R CB -0.181 30.139 30.300 0.033 0.000 0.910 283 R HN 0.083 nan 8.270 nan 0.000 0.455 284 R N 0.828 121.335 120.500 0.013 0.000 2.193 284 R HA 0.089 4.429 4.340 0.000 0.000 0.213 284 R C 1.465 177.729 176.300 -0.060 0.000 1.055 284 R CA 0.730 56.813 56.100 -0.029 0.000 0.995 284 R CB -0.104 30.166 30.300 -0.050 0.000 0.893 284 R HN 0.157 nan 8.270 nan 0.000 0.459 285 K N 0.918 121.291 120.400 -0.044 0.000 2.001 285 K HA -0.063 4.257 4.320 0.000 0.000 0.208 285 K C 1.943 178.512 176.600 -0.051 0.000 1.048 285 K CA 1.299 57.555 56.287 -0.052 0.000 0.932 285 K CB 0.007 32.485 32.500 -0.036 0.000 0.715 285 K HN 0.154 nan 8.250 nan 0.000 0.437 286 E N 0.545 120.726 120.200 -0.031 0.000 2.204 286 E HA -0.129 4.221 4.350 0.000 0.000 0.195 286 E C 1.899 178.481 176.600 -0.030 0.000 0.990 286 E CA 1.087 57.471 56.400 -0.026 0.000 0.821 286 E CB 0.010 29.703 29.700 -0.011 0.000 0.750 286 E HN 0.376 nan 8.360 nan 0.000 0.477 287 M N -0.179 119.404 119.600 -0.029 0.000 2.288 287 M HA -0.028 4.452 4.480 0.000 0.000 0.266 287 M C 2.293 178.534 176.300 -0.098 0.000 1.072 287 M CA 0.628 55.917 55.300 -0.019 0.000 1.132 287 M CB -0.061 32.545 32.600 0.011 0.000 1.386 287 M HN 0.062 nan 8.290 nan 0.000 0.432 288 L N 0.167 121.318 121.223 -0.120 0.000 2.079 288 L HA -0.248 4.092 4.340 0.000 0.000 0.210 288 L C 2.438 179.217 176.870 -0.151 0.000 1.081 288 L CA 1.361 56.109 54.840 -0.154 0.000 0.752 288 L CB -0.556 41.423 42.059 -0.133 0.000 0.896 288 L HN 0.288 nan 8.230 nan 0.000 0.433 289 K N -0.156 120.173 120.400 -0.118 0.000 2.057 289 K HA -0.176 4.144 4.320 0.000 0.000 0.207 289 K C 1.637 178.161 176.600 -0.126 0.000 1.049 289 K CA 1.640 57.861 56.287 -0.109 0.000 0.931 289 K CB -0.233 32.222 32.500 -0.076 0.000 0.714 289 K HN 0.271 nan 8.250 nan 0.000 0.440 290 D N 1.153 121.476 120.400 -0.129 0.000 2.087 290 D HA -0.142 4.498 4.640 0.000 0.000 0.192 290 D C 1.875 177.980 176.300 -0.326 0.000 0.993 290 D CA 1.117 55.023 54.000 -0.158 0.000 0.828 290 D CB -0.255 40.502 40.800 -0.073 0.000 0.968 290 D HN 0.104 nan 8.370 nan 0.000 0.448 291 I N 0.944 121.235 120.570 -0.466 0.000 2.151 291 I HA -0.346 3.824 4.170 0.000 0.000 0.243 291 I C 2.427 178.377 176.117 -0.278 0.000 1.080 291 I CA 1.247 62.231 61.300 -0.525 0.000 1.339 291 I CB -0.461 37.322 38.000 -0.363 0.000 1.039 291 I HN -0.016 nan 8.210 nan 0.000 0.409 292 A N 1.113 123.814 122.820 -0.199 0.000 1.842 292 A HA -0.281 4.040 4.320 0.000 0.000 0.217 292 A C 2.582 180.094 177.584 -0.120 0.000 1.206 292 A CA 2.500 54.454 52.037 -0.138 0.000 0.630 292 A CB -1.274 17.650 19.000 -0.126 0.000 0.839 292 A HN 0.459 nan 8.150 nan 0.000 0.447 293 A N -1.122 121.629 122.820 -0.114 0.000 2.042 293 A HA -0.063 4.257 4.320 0.000 0.000 0.222 293 A C 2.133 179.669 177.584 -0.081 0.000 1.167 293 A CA 2.151 54.138 52.037 -0.082 0.000 0.649 293 A CB -0.835 18.125 19.000 -0.068 0.000 0.809 293 A HN 0.540 nan 8.150 nan 0.000 0.457 294 V N -0.398 119.443 119.914 -0.121 0.000 2.649 294 V HA -0.109 4.011 4.120 0.000 0.000 0.248 294 V C 2.599 178.648 176.094 -0.075 0.000 1.054 294 V CA 2.056 64.298 62.300 -0.097 0.000 1.073 294 V CB -0.705 31.024 31.823 -0.157 0.000 0.699 294 V HN 0.790 nan 8.190 nan 0.000 0.463 295 T N -3.161 111.339 114.554 -0.090 0.000 3.037 295 T HA 0.374 4.724 4.350 0.000 0.000 0.252 295 T C 1.673 176.335 174.700 -0.063 0.000 1.073 295 T CA 1.015 63.073 62.100 -0.070 0.000 1.091 295 T CB 0.819 69.646 68.868 -0.068 0.000 0.935 295 T HN 0.747 nan 8.240 nan 0.000 0.488 296 G N 1.154 109.917 108.800 -0.061 0.000 2.317 296 G HA2 -0.116 3.844 3.960 0.000 0.000 0.227 296 G HA3 -0.116 3.844 3.960 0.000 0.000 0.227 296 G C 0.696 175.571 174.900 -0.041 0.000 1.042 296 G CA -0.012 45.061 45.100 -0.046 0.000 0.623 296 G HN 0.959 nan 8.290 nan 0.000 0.509 297 G N -0.184 108.592 108.800 -0.041 0.000 2.680 297 G HA2 0.448 4.408 3.960 0.000 0.000 0.274 297 G HA3 0.448 4.408 3.960 0.000 0.000 0.274 297 G C 0.063 174.925 174.900 -0.063 0.000 1.292 297 G CA 1.230 46.310 45.100 -0.032 0.000 1.007 297 G HN 0.904 nan 8.290 nan 0.000 0.578 298 T N -0.662 113.843 114.554 -0.082 0.000 2.863 298 T HA 0.419 4.769 4.350 0.000 0.000 0.285 298 T C -0.071 174.498 174.700 -0.219 0.000 1.009 298 T CA -0.418 61.589 62.100 -0.155 0.000 0.989 298 T CB 1.861 70.625 68.868 -0.173 0.000 1.004 298 T HN 0.353 nan 8.240 nan 0.000 0.455 299 V N 3.935 123.689 119.914 -0.266 0.000 2.427 299 V HA 0.229 4.349 4.120 0.000 0.000 0.268 299 V C 0.811 176.669 176.094 -0.394 0.000 1.046 299 V CA -0.361 61.783 62.300 -0.260 0.000 0.970 299 V CB 0.243 31.947 31.823 -0.199 0.000 1.001 299 V HN 0.825 nan 8.190 nan 0.000 0.476 300 I N 4.297 124.696 120.570 -0.284 0.000 2.566 300 I HA 0.006 4.176 4.170 0.000 0.000 0.286 300 I C 0.748 176.783 176.117 -0.135 0.000 1.060 300 I CA 0.321 61.475 61.300 -0.244 0.000 2.222 300 I CB -0.431 37.516 38.000 -0.087 0.000 1.534 300 I HN 0.600 nan 8.210 nan 0.000 0.987 301 S N 3.299 118.888 115.700 -0.184 0.000 2.457 301 S HA -0.018 4.452 4.470 0.000 0.000 0.294 301 S C 1.494 176.124 174.600 0.050 0.000 1.201 301 S CA -0.412 57.754 58.200 -0.057 0.000 1.112 301 S CB 0.141 63.307 63.200 -0.056 0.000 1.018 301 S HN 0.656 nan 8.310 nan 0.000 0.511 302 E N 2.399 122.618 120.200 0.032 0.000 2.396 302 E HA -0.243 4.107 4.350 0.000 0.000 0.200 302 E C 0.395 177.029 176.600 0.057 0.000 1.023 302 E CA 1.311 57.742 56.400 0.051 0.000 0.857 302 E CB -0.227 29.486 29.700 0.021 0.000 0.775 302 E HN 0.829 nan 8.360 nan 0.000 0.525 303 E N 0.150 120.382 120.200 0.052 0.000 2.558 303 E HA 0.153 4.503 4.350 0.000 0.000 0.205 303 E C 0.838 177.482 176.600 0.074 0.000 1.006 303 E CA -0.175 56.254 56.400 0.049 0.000 0.961 303 E CB 0.579 30.294 29.700 0.026 0.000 1.044 303 E HN 0.121 nan 8.360 nan 0.000 0.465 304 L N 0.156 121.461 121.223 0.138 0.000 2.731 304 L HA 0.438 4.778 4.340 0.000 0.000 0.240 304 L C 0.910 177.920 176.870 0.233 0.000 1.120 304 L CA 0.943 55.903 54.840 0.199 0.000 0.913 304 L CB 0.703 42.913 42.059 0.252 0.000 1.213 304 L HN 0.212 nan 8.230 nan 0.000 0.515 305 G N -0.285 108.628 108.800 0.189 0.000 2.270 305 G HA2 -0.244 3.717 3.960 0.000 0.000 0.224 305 G HA3 -0.244 3.717 3.960 0.000 0.000 0.224 305 G C -0.270 174.597 174.900 -0.055 0.000 1.079 305 G CA 0.016 45.141 45.100 0.042 0.000 0.807 305 G HN 0.132 nan 8.290 nan 0.000 0.492 306 F N -0.506 119.437 119.950 -0.011 0.000 2.538 306 F HA 0.793 5.320 4.527 0.000 0.000 0.325 306 F C 0.410 176.203 175.800 -0.012 0.000 1.066 306 F CA -1.303 56.691 58.000 -0.011 0.000 0.946 306 F CB 2.306 41.299 39.000 -0.012 0.000 1.199 306 F HN 0.034 nan 8.300 nan 0.000 0.473 307 K N 1.903 122.399 120.400 0.161 0.000 2.450 307 K HA 0.401 4.721 4.320 0.000 0.000 0.257 307 K C 0.369 177.022 176.600 0.089 0.000 0.953 307 K CA -0.536 55.801 56.287 0.085 0.000 0.844 307 K CB 1.313 33.831 32.500 0.030 0.000 1.103 307 K HN 0.534 nan 8.250 nan 0.000 0.429 308 L N 4.074 125.336 121.223 0.065 0.000 2.051 308 L HA -0.207 4.133 4.340 0.000 0.000 0.214 308 L C 1.823 178.714 176.870 0.034 0.000 1.076 308 L CA 2.410 57.277 54.840 0.045 0.000 0.758 308 L CB -0.498 41.576 42.059 0.024 0.000 0.890 308 L HN 0.960 nan 8.230 nan 0.000 0.433 309 E N -0.776 119.439 120.200 0.026 0.000 2.118 309 E HA -0.245 4.105 4.350 0.000 0.000 0.195 309 E C 0.825 177.434 176.600 0.015 0.000 0.992 309 E CA 1.490 57.898 56.400 0.014 0.000 0.804 309 E CB -0.200 29.506 29.700 0.009 0.000 0.741 309 E HN 0.642 nan 8.360 nan 0.000 0.458 310 N N 0.671 119.387 118.700 0.026 0.000 2.327 310 N HA 0.157 4.898 4.740 0.000 0.000 0.231 310 N C -0.676 174.864 175.510 0.050 0.000 1.130 310 N CA 0.391 53.456 53.050 0.024 0.000 0.845 310 N CB 0.926 39.419 38.487 0.010 0.000 1.073 310 N HN 0.154 nan 8.380 nan 0.000 0.496 311 A N 0.365 123.215 122.820 0.051 0.000 2.322 311 A HA 0.586 4.906 4.320 0.000 0.000 0.269 311 A C 0.476 178.077 177.584 0.029 0.000 1.094 311 A CA 0.103 52.176 52.037 0.060 0.000 0.807 311 A CB 0.506 19.531 19.000 0.041 0.000 1.047 311 A HN 0.134 nan 8.150 nan 0.000 0.487 312 T N 1.145 115.719 114.554 0.034 0.000 2.916 312 T HA 0.437 4.787 4.350 0.000 0.000 0.292 312 T C 1.165 175.865 174.700 -0.001 0.000 1.064 312 T CA -0.692 61.414 62.100 0.011 0.000 1.011 312 T CB 1.196 70.080 68.868 0.027 0.000 1.152 312 T HN 0.408 nan 8.240 nan 0.000 0.510 313 L N 1.080 122.282 121.223 -0.035 0.000 2.265 313 L HA -0.105 4.235 4.340 0.000 0.000 0.215 313 L C 2.790 179.702 176.870 0.069 0.000 1.117 313 L CA 1.150 55.960 54.840 -0.050 0.000 0.782 313 L CB -0.719 41.261 42.059 -0.132 0.000 0.914 313 L HN 0.846 nan 8.230 nan 0.000 0.441 314 S N 0.954 116.686 115.700 0.054 0.000 2.368 314 S HA -0.213 4.257 4.470 0.000 0.000 0.225 314 S C 1.658 176.301 174.600 0.071 0.000 1.030 314 S CA 1.164 59.404 58.200 0.068 0.000 0.999 314 S CB -0.426 62.806 63.200 0.052 0.000 0.844 314 S HN 0.614 nan 8.310 nan 0.000 0.459 315 M N 0.637 120.275 119.600 0.063 0.000 2.723 315 M HA 0.486 4.967 4.480 0.000 0.000 0.270 315 M C -0.497 175.824 176.300 0.034 0.000 1.282 315 M CA -0.055 55.270 55.300 0.041 0.000 0.995 315 M CB -0.355 32.270 32.600 0.041 0.000 1.430 315 M HN 0.108 nan 8.290 nan 0.000 0.477 316 L N 0.898 122.176 121.223 0.091 0.000 2.334 316 L HA 0.765 5.105 4.340 0.000 0.000 0.272 316 L C 0.627 177.559 176.870 0.104 0.000 1.020 316 L CA -0.851 54.068 54.840 0.131 0.000 0.812 316 L CB 1.821 44.053 42.059 0.288 0.000 1.264 316 L HN 0.373 nan 8.230 nan 0.000 0.439 317 G N 1.203 110.038 108.800 0.057 0.000 2.476 317 G HA2 0.509 4.469 3.960 0.000 0.000 0.269 317 G HA3 0.509 4.469 3.960 0.000 0.000 0.269 317 G C -0.849 174.015 174.900 -0.060 0.000 1.195 317 G CA -0.355 44.740 45.100 -0.009 0.000 0.843 317 G HN 0.594 nan 8.290 nan 0.000 0.545 318 R N 0.175 120.599 120.500 -0.126 0.000 2.628 318 R HA 0.650 4.991 4.340 0.000 0.000 0.288 318 R C -0.898 175.308 176.300 -0.157 0.000 0.980 318 R CA -0.532 55.423 56.100 -0.242 0.000 0.891 318 R CB 1.919 32.017 30.300 -0.337 0.000 1.188 318 R HN 0.770 nan 8.270 nan 0.000 0.450 319 A N 1.956 124.685 122.820 -0.152 0.000 2.556 319 A HA 0.247 4.568 4.320 0.000 0.000 0.294 319 A C 0.196 177.730 177.584 -0.083 0.000 1.091 319 A CA -0.657 51.328 52.037 -0.088 0.000 0.704 319 A CB 1.837 20.810 19.000 -0.044 0.000 1.300 319 A HN 0.970 nan 8.150 nan 0.000 0.406 320 E N 0.154 120.321 120.200 -0.054 0.000 2.150 320 E HA -0.054 4.296 4.350 0.000 0.000 0.193 320 E C 0.693 177.274 176.600 -0.032 0.000 0.985 320 E CA 1.080 57.453 56.400 -0.044 0.000 0.814 320 E CB 0.142 29.825 29.700 -0.029 0.000 0.752 320 E HN 0.506 nan 8.360 nan 0.000 0.466 321 R N -1.344 119.143 120.500 -0.022 0.000 2.709 321 R HA 0.390 4.730 4.340 0.000 0.000 0.270 321 R C -2.179 174.120 176.300 -0.002 0.000 1.038 321 R CA -0.634 55.461 56.100 -0.010 0.000 0.872 321 R CB 1.986 32.284 30.300 -0.004 0.000 1.259 321 R HN -0.042 nan 8.270 nan 0.000 0.473 322 V N 2.779 122.697 119.914 0.005 0.000 2.612 322 V HA 0.503 4.623 4.120 0.000 0.000 0.301 322 V C -0.842 175.261 176.094 0.015 0.000 1.059 322 V CA -0.705 61.601 62.300 0.010 0.000 0.886 322 V CB 1.997 33.832 31.823 0.019 0.000 1.007 322 V HN 0.661 nan 8.190 nan 0.000 0.426 323 R N 4.715 125.216 120.500 0.000 0.000 2.338 323 R HA 0.757 5.097 4.340 0.000 0.000 0.317 323 R C -1.146 175.152 176.300 -0.004 0.000 0.968 323 R CA -0.488 55.616 56.100 0.007 0.000 0.849 323 R CB 1.879 32.174 30.300 -0.008 0.000 1.128 323 R HN 0.598 nan 8.270 nan 0.000 0.448 324 I N 2.243 122.846 120.570 0.056 0.000 2.447 324 I HA 0.310 4.480 4.170 0.000 0.000 0.287 324 I C -0.123 176.043 176.117 0.082 0.000 1.023 324 I CA -0.524 60.817 61.300 0.067 0.000 1.083 324 I CB 2.314 40.434 38.000 0.200 0.000 1.245 324 I HN 0.534 nan 8.210 nan 0.000 0.434 325 T N 3.540 118.019 114.554 -0.124 0.000 2.922 325 T HA 0.207 4.558 4.350 0.000 0.000 0.281 325 T C 1.012 175.292 174.700 -0.701 0.000 1.005 325 T CA -0.812 61.165 62.100 -0.205 0.000 0.982 325 T CB 1.856 70.643 68.868 -0.135 0.000 1.158 325 T HN 0.576 nan 8.240 nan 0.000 0.566 326 K N 0.854 120.883 120.400 -0.618 0.000 2.442 326 K HA -0.142 4.178 4.320 0.000 0.000 0.199 326 K C 0.372 176.712 176.600 -0.433 0.000 1.044 326 K CA 1.723 57.593 56.287 -0.694 0.000 0.941 326 K CB 0.002 32.382 32.500 -0.201 0.000 0.759 326 K HN 0.716 nan 8.250 nan 0.000 0.472 327 D N -1.709 118.508 120.400 -0.305 0.000 2.682 327 D HA 0.017 4.657 4.640 0.000 0.000 0.291 327 D C -0.658 175.561 176.300 -0.134 0.000 1.585 327 D CA -0.279 53.619 54.000 -0.170 0.000 0.845 327 D CB 0.024 40.764 40.800 -0.100 0.000 1.323 327 D HN 0.159 nan 8.370 nan 0.000 0.438 328 E N 0.348 120.440 120.200 -0.182 0.000 2.331 328 E HA 0.454 4.804 4.350 0.000 0.000 0.275 328 E C -1.546 174.907 176.600 -0.245 0.000 0.895 328 E CA -0.340 55.948 56.400 -0.186 0.000 0.753 328 E CB 2.385 31.995 29.700 -0.149 0.000 1.216 328 E HN -0.133 nan 8.360 nan 0.000 0.434 329 T N 2.182 116.486 114.554 -0.417 0.000 2.848 329 T HA 0.451 4.801 4.350 0.000 0.000 0.285 329 T C -1.109 173.305 174.700 -0.478 0.000 0.995 329 T CA -0.491 61.323 62.100 -0.475 0.000 0.970 329 T CB 1.681 70.124 68.868 -0.709 0.000 0.976 329 T HN 0.330 nan 8.240 nan 0.000 0.441 330 T N 3.600 118.013 114.554 -0.234 0.000 2.847 330 T HA 0.479 4.829 4.350 0.000 0.000 0.291 330 T C -0.040 174.636 174.700 -0.040 0.000 0.998 330 T CA -0.488 61.533 62.100 -0.132 0.000 0.967 330 T CB 0.469 69.286 68.868 -0.086 0.000 0.954 330 T HN 0.459 nan 8.240 nan 0.000 0.441 331 I N 4.013 124.603 120.570 0.033 0.000 2.282 331 I HA 0.276 4.446 4.170 0.000 0.000 0.290 331 I C 0.161 176.316 176.117 0.062 0.000 1.090 331 I CA -0.642 60.699 61.300 0.068 0.000 1.231 331 I CB 0.543 38.620 38.000 0.127 0.000 1.434 331 I HN 0.282 nan 8.210 nan 0.000 0.487 332 V N 4.597 124.528 119.914 0.028 0.000 2.904 332 V HA 0.388 4.508 4.120 0.000 0.000 0.305 332 V C 1.298 177.397 176.094 0.009 0.000 1.067 332 V CA -0.310 62.002 62.300 0.020 0.000 1.044 332 V CB 1.274 33.102 31.823 0.008 0.000 1.050 332 V HN 1.001 nan 8.190 nan 0.000 0.475 333 G N 2.792 111.595 108.800 0.006 0.000 2.395 333 G HA2 -0.155 3.805 3.960 0.000 0.000 0.300 333 G HA3 -0.155 3.805 3.960 0.000 0.000 0.300 333 G C 0.559 175.449 174.900 -0.017 0.000 0.998 333 G CA 0.110 45.205 45.100 -0.008 0.000 1.046 333 G HN 1.470 nan 8.290 nan 0.000 0.513 334 G N -0.536 108.261 108.800 -0.005 0.000 2.380 334 G HA2 0.410 4.370 3.960 0.000 0.000 0.242 334 G HA3 0.410 4.370 3.960 0.000 0.000 0.242 334 G C 0.851 175.732 174.900 -0.033 0.000 1.298 334 G CA -0.318 44.770 45.100 -0.020 0.000 0.878 334 G HN 0.299 nan 8.290 nan 0.000 0.542 335 K N 2.068 122.437 120.400 -0.052 0.000 2.404 335 K HA 0.076 4.397 4.320 0.000 0.000 0.194 335 K C 1.703 178.277 176.600 -0.043 0.000 1.023 335 K CA 0.215 56.470 56.287 -0.053 0.000 1.094 335 K CB 0.187 32.641 32.500 -0.076 0.000 0.841 335 K HN 0.565 nan 8.250 nan 0.000 0.523 336 G N 1.861 110.635 108.800 -0.043 0.000 2.818 336 G HA2 -0.184 3.777 3.960 0.000 0.000 0.235 336 G HA3 -0.184 3.777 3.960 0.000 0.000 0.235 336 G C -0.335 174.548 174.900 -0.028 0.000 1.244 336 G CA -0.209 44.867 45.100 -0.039 0.000 0.853 336 G HN 0.161 nan 8.290 nan 0.000 0.596 337 K N 0.378 120.763 120.400 -0.025 0.000 2.297 337 K HA 0.126 4.447 4.320 0.000 0.000 0.286 337 K C 1.549 178.141 176.600 -0.014 0.000 1.053 337 K CA -0.374 55.903 56.287 -0.017 0.000 0.940 337 K CB 0.787 33.278 32.500 -0.015 0.000 1.019 337 K HN 0.569 nan 8.250 nan 0.000 0.475 338 K N 2.929 123.323 120.400 -0.010 0.000 2.059 338 K HA -0.268 4.053 4.320 0.000 0.000 0.212 338 K C 0.845 177.443 176.600 -0.004 0.000 1.050 338 K CA 2.186 58.470 56.287 -0.006 0.000 0.927 338 K CB 0.171 32.669 32.500 -0.004 0.000 0.714 338 K HN 0.558 nan 8.250 nan 0.000 0.447 339 E N 0.899 121.096 120.200 -0.005 0.000 2.077 339 E HA -0.168 4.182 4.350 0.000 0.000 0.193 339 E C 1.661 178.257 176.600 -0.006 0.000 0.989 339 E CA 1.780 58.178 56.400 -0.004 0.000 0.800 339 E CB -0.247 29.451 29.700 -0.003 0.000 0.746 339 E HN 0.403 nan 8.360 nan 0.000 0.452 340 D N 0.013 120.407 120.400 -0.010 0.000 2.133 340 D HA -0.154 4.486 4.640 0.000 0.000 0.195 340 D C 1.777 178.068 176.300 -0.015 0.000 0.997 340 D CA 1.011 55.002 54.000 -0.015 0.000 0.840 340 D CB -0.087 40.699 40.800 -0.023 0.000 0.947 340 D HN 0.159 nan 8.370 nan 0.000 0.452 341 I N 0.679 121.242 120.570 -0.011 0.000 2.133 341 I HA -0.222 3.948 4.170 0.000 0.000 0.238 341 I C 2.265 178.385 176.117 0.004 0.000 1.074 341 I CA 1.124 62.422 61.300 -0.003 0.000 1.342 341 I CB -0.316 37.687 38.000 0.004 0.000 1.053 341 I HN 0.025 nan 8.210 nan 0.000 0.404 342 E N 1.059 121.262 120.200 0.004 0.000 2.070 342 E HA -0.285 4.066 4.350 0.000 0.000 0.197 342 E C 2.300 178.903 176.600 0.004 0.000 1.004 342 E CA 1.591 57.995 56.400 0.006 0.000 0.805 342 E CB -0.278 29.424 29.700 0.004 0.000 0.744 342 E HN 0.537 nan 8.360 nan 0.000 0.451 343 A N 1.252 124.072 122.820 0.001 0.000 1.933 343 A HA -0.194 4.126 4.320 0.000 0.000 0.218 343 A C 2.115 179.699 177.584 -0.001 0.000 1.175 343 A CA 1.531 53.567 52.037 -0.000 0.000 0.628 343 A CB -0.353 18.645 19.000 -0.003 0.000 0.814 343 A HN -0.011 nan 8.150 nan 0.000 0.444 344 R N 0.064 120.563 120.500 -0.002 0.000 2.092 344 R HA 0.052 4.392 4.340 0.000 0.000 0.231 344 R C 1.743 178.048 176.300 0.008 0.000 1.119 344 R CA 1.381 57.480 56.100 -0.002 0.000 0.970 344 R CB -0.685 29.610 30.300 -0.009 0.000 0.864 344 R HN 0.620 nan 8.270 nan 0.000 0.440 345 I N 0.357 120.935 120.570 0.013 0.000 2.141 345 I HA -0.237 3.933 4.170 0.000 0.000 0.236 345 I C 1.339 177.463 176.117 0.012 0.000 1.071 345 I CA 1.138 62.449 61.300 0.018 0.000 1.345 345 I CB -0.353 37.659 38.000 0.021 0.000 1.066 345 I HN 0.173 nan 8.210 nan 0.000 0.406 346 N N 1.211 119.916 118.700 0.009 0.000 2.588 346 N HA -0.117 4.624 4.740 0.000 0.000 0.190 346 N C 1.596 177.109 175.510 0.005 0.000 1.094 346 N CA 1.221 54.275 53.050 0.006 0.000 0.921 346 N CB -0.265 38.225 38.487 0.005 0.000 0.959 346 N HN 0.472 nan 8.380 nan 0.000 0.448 347 G N 0.278 109.081 108.800 0.005 0.000 2.494 347 G HA2 -0.008 3.952 3.960 0.000 0.000 0.216 347 G HA3 -0.008 3.952 3.960 0.000 0.000 0.216 347 G C 1.623 176.524 174.900 0.003 0.000 1.140 347 G CA -0.057 45.044 45.100 0.003 0.000 0.801 347 G HN 0.229 nan 8.290 nan 0.000 0.536 348 I N 0.151 120.723 120.570 0.005 0.000 2.339 348 I HA -0.028 4.143 4.170 0.000 0.000 0.245 348 I C 2.680 178.798 176.117 0.002 0.000 1.096 348 I CA 0.730 62.031 61.300 0.003 0.000 1.408 348 I CB -0.140 37.864 38.000 0.007 0.000 1.092 348 I HN 0.041 nan 8.210 nan 0.000 0.423 349 K N 1.287 121.690 120.400 0.004 0.000 1.978 349 K HA -0.201 4.119 4.320 0.000 0.000 0.214 349 K C 1.785 178.386 176.600 0.002 0.000 1.049 349 K CA 1.534 57.823 56.287 0.003 0.000 0.939 349 K CB -0.266 32.237 32.500 0.005 0.000 0.721 349 K HN -0.037 nan 8.250 nan 0.000 0.441 350 K N 1.101 121.503 120.400 0.003 0.000 2.633 350 K HA -0.092 4.228 4.320 0.000 0.000 0.193 350 K C 1.429 178.030 176.600 0.002 0.000 1.033 350 K CA 0.734 57.023 56.287 0.003 0.000 0.980 350 K CB -0.017 32.485 32.500 0.003 0.000 0.800 350 K HN 0.218 nan 8.250 nan 0.000 0.493 351 E N -0.692 119.508 120.200 0.001 0.000 2.391 351 E HA 0.103 4.454 4.350 0.000 0.000 0.206 351 E C 1.459 178.058 176.600 -0.002 0.000 0.851 351 E CA 0.107 56.506 56.400 -0.000 0.000 1.059 351 E CB 0.278 29.977 29.700 -0.001 0.000 1.065 351 E HN 0.194 nan 8.360 nan 0.000 0.512 352 L N 1.870 123.092 121.223 -0.003 0.000 2.131 352 L HA -0.116 4.225 4.340 0.000 0.000 0.210 352 L C 1.787 178.656 176.870 -0.001 0.000 1.092 352 L CA 1.378 56.215 54.840 -0.004 0.000 0.759 352 L CB -0.323 41.733 42.059 -0.005 0.000 0.903 352 L HN 0.173 nan 8.230 nan 0.000 0.435 353 E N -0.765 119.435 120.200 0.001 0.000 2.322 353 E HA -0.039 4.312 4.350 0.000 0.000 0.195 353 E C 0.272 176.874 176.600 0.003 0.000 1.198 353 E CA 0.392 56.794 56.400 0.003 0.000 1.132 353 E CB -0.128 29.574 29.700 0.003 0.000 1.213 353 E HN 0.267 nan 8.360 nan 0.000 0.450 354 T N -1.012 113.544 114.554 0.003 0.000 3.416 354 T HA 0.027 4.378 4.350 0.000 0.000 0.298 354 T C 0.011 174.714 174.700 0.005 0.000 0.874 354 T CA -0.296 61.806 62.100 0.004 0.000 0.901 354 T CB 0.846 69.716 68.868 0.004 0.000 1.215 354 T HN 0.107 nan 8.240 nan 0.000 0.677 355 T N 2.570 117.127 114.554 0.004 0.000 2.806 355 T HA 0.373 4.723 4.350 0.000 0.000 0.290 355 T C 0.135 174.841 174.700 0.009 0.000 0.966 355 T CA -0.421 61.682 62.100 0.004 0.000 1.060 355 T CB 1.682 70.548 68.868 -0.004 0.000 0.927 355 T HN 0.023 nan 8.240 nan 0.000 0.485 356 D N 1.576 121.985 120.400 0.015 0.000 2.799 356 D HA 0.031 4.671 4.640 0.000 0.000 0.267 356 D C 0.997 177.315 176.300 0.029 0.000 1.468 356 D CA 0.431 54.443 54.000 0.020 0.000 1.077 356 D CB -0.482 40.330 40.800 0.020 0.000 1.065 356 D HN 0.620 nan 8.370 nan 0.000 0.359 357 S N 1.988 117.712 115.700 0.041 0.000 3.631 357 S HA -0.174 4.296 4.470 0.000 0.000 0.431 357 S C 0.967 175.612 174.600 0.075 0.000 1.132 357 S CA 0.180 58.420 58.200 0.066 0.000 1.188 357 S CB 0.049 63.304 63.200 0.092 0.000 0.805 357 S HN 0.252 nan 8.310 nan 0.000 0.526 358 E N 2.241 122.484 120.200 0.071 0.000 2.339 358 E HA -0.265 4.086 4.350 0.000 0.000 0.201 358 E C 1.158 177.818 176.600 0.099 0.000 1.015 358 E CA 1.354 57.793 56.400 0.065 0.000 0.841 358 E CB -0.140 29.595 29.700 0.058 0.000 0.754 358 E HN 0.991 nan 8.360 nan 0.000 0.508 359 Y N 0.108 120.408 120.300 -0.001 0.000 2.220 359 Y HA -0.049 4.501 4.550 0.001 0.000 0.291 359 Y C 1.991 177.891 175.900 -0.001 0.000 1.129 359 Y CA 1.367 59.466 58.100 -0.003 0.000 1.161 359 Y CB -0.531 37.926 38.460 -0.004 0.000 0.997 359 Y HN 0.085 nan 8.280 nan 0.000 0.522 360 A N 0.627 123.394 122.820 -0.089 0.000 2.015 360 A HA -0.109 4.212 4.320 0.000 0.000 0.219 360 A C 2.232 179.734 177.584 -0.136 0.000 1.163 360 A CA 1.273 53.211 52.037 -0.165 0.000 0.646 360 A CB -0.469 18.508 19.000 -0.040 0.000 0.806 360 A HN 0.519 nan 8.150 nan 0.000 0.448 361 R N -0.286 120.169 120.500 -0.075 0.000 2.189 361 R HA -0.031 4.310 4.340 0.000 0.000 0.218 361 R C 1.584 177.843 176.300 -0.068 0.000 1.074 361 R CA 1.195 57.264 56.100 -0.051 0.000 0.991 361 R CB -0.148 30.142 30.300 -0.017 0.000 0.883 361 R HN 0.645 nan 8.270 nan 0.000 0.457 362 E N 0.426 120.565 120.200 -0.103 0.000 2.170 362 E HA -0.041 4.310 4.350 0.000 0.000 0.191 362 E C 1.704 178.221 176.600 -0.138 0.000 0.981 362 E CA 0.417 56.760 56.400 -0.095 0.000 0.830 362 E CB 0.290 29.952 29.700 -0.064 0.000 0.775 362 E HN 0.078 nan 8.360 nan 0.000 0.470 363 K N 0.791 121.050 120.400 -0.236 0.000 2.025 363 K HA -0.038 4.282 4.320 0.000 0.000 0.207 363 K C 1.913 178.445 176.600 -0.113 0.000 1.049 363 K CA 0.795 56.953 56.287 -0.214 0.000 0.933 363 K CB -0.291 32.020 32.500 -0.316 0.000 0.714 363 K HN 0.188 nan 8.250 nan 0.000 0.438 364 L N 1.227 122.391 121.223 -0.099 0.000 2.675 364 L HA -0.031 4.309 4.340 0.000 0.000 0.239 364 L C 1.843 178.692 176.870 -0.036 0.000 1.151 364 L CA 0.295 55.104 54.840 -0.052 0.000 0.905 364 L CB -0.180 41.853 42.059 -0.043 0.000 1.057 364 L HN 0.127 nan 8.230 nan 0.000 0.435 365 Q N 0.524 120.297 119.800 -0.045 0.000 2.369 365 Q HA -0.061 4.280 4.340 0.000 0.000 0.254 365 Q C 1.857 177.841 176.000 -0.027 0.000 0.858 365 Q CA 0.486 56.271 55.803 -0.030 0.000 0.961 365 Q CB 0.477 29.196 28.738 -0.033 0.000 1.119 365 Q HN 0.593 nan 8.270 nan 0.000 0.538 366 E N -0.744 119.433 120.200 -0.039 0.000 2.371 366 E HA -0.050 4.300 4.350 0.000 0.000 0.194 366 E C 1.715 178.295 176.600 -0.033 0.000 1.012 366 E CA 0.151 56.526 56.400 -0.042 0.000 0.860 366 E CB 0.022 29.692 29.700 -0.050 0.000 0.811 366 E HN 0.135 nan 8.360 nan 0.000 0.502 367 R N 0.252 120.749 120.500 -0.005 0.000 2.057 367 R HA -0.035 4.306 4.340 0.000 0.000 0.229 367 R C 2.395 178.732 176.300 0.061 0.000 1.136 367 R CA 1.160 57.288 56.100 0.046 0.000 0.952 367 R CB -0.396 29.935 30.300 0.051 0.000 0.848 367 R HN 0.203 nan 8.270 nan 0.000 0.430 368 L N 0.923 122.166 121.223 0.033 0.000 2.187 368 L HA -0.077 4.263 4.340 0.000 0.000 0.213 368 L C 1.975 178.863 176.870 0.029 0.000 1.100 368 L CA 1.803 56.663 54.840 0.034 0.000 0.765 368 L CB -0.687 41.382 42.059 0.017 0.000 0.904 368 L HN 0.140 nan 8.230 nan 0.000 0.437 369 A N -0.361 122.464 122.820 0.008 0.000 1.872 369 A HA -0.170 4.150 4.320 0.000 0.000 0.214 369 A C 2.308 179.887 177.584 -0.010 0.000 1.187 369 A CA 1.692 53.727 52.037 -0.004 0.000 0.614 369 A CB -0.413 18.573 19.000 -0.025 0.000 0.826 369 A HN 0.498 nan 8.150 nan 0.000 0.442 370 K N -0.169 120.201 120.400 -0.050 0.000 2.026 370 K HA -0.017 4.303 4.320 0.000 0.000 0.208 370 K C 1.863 178.515 176.600 0.086 0.000 1.048 370 K CA 1.353 57.563 56.287 -0.127 0.000 0.929 370 K CB -0.455 31.728 32.500 -0.529 0.000 0.713 370 K HN 0.423 nan 8.250 nan 0.000 0.439 371 L N 0.602 121.937 121.223 0.187 0.000 2.127 371 L HA -0.169 4.171 4.340 0.000 0.000 0.211 371 L C 2.072 179.012 176.870 0.117 0.000 1.089 371 L CA 0.965 55.930 54.840 0.208 0.000 0.757 371 L CB -0.443 41.704 42.059 0.147 0.000 0.899 371 L HN 0.195 nan 8.230 nan 0.000 0.434 372 A N -0.167 122.699 122.820 0.076 0.000 2.411 372 A HA 0.335 4.655 4.320 0.000 0.000 0.251 372 A C 1.639 179.252 177.584 0.049 0.000 1.317 372 A CA 0.426 52.495 52.037 0.052 0.000 0.904 372 A CB -0.786 18.236 19.000 0.037 0.000 0.993 372 A HN 0.467 nan 8.150 nan 0.000 0.504 373 G N -0.708 108.129 108.800 0.062 0.000 2.439 373 G HA2 -0.131 3.829 3.960 0.000 0.000 0.305 373 G HA3 -0.131 3.829 3.960 0.000 0.000 0.305 373 G C 0.629 175.558 174.900 0.048 0.000 0.966 373 G CA 0.523 45.655 45.100 0.053 0.000 0.890 373 G HN 1.471 nan 8.290 nan 0.000 0.513 374 G N -1.004 107.823 108.800 0.045 0.000 4.106 374 G HA2 0.564 4.524 3.960 0.000 0.000 0.344 374 G HA3 0.564 4.524 3.960 0.000 0.000 0.344 374 G C -0.761 174.173 174.900 0.058 0.000 1.477 374 G CA -0.286 44.854 45.100 0.067 0.000 1.068 374 G HN 0.710 nan 8.290 nan 0.000 0.488 375 V N 1.468 121.420 119.914 0.064 0.000 2.443 375 V HA 0.733 4.854 4.120 0.000 0.000 0.293 375 V C 0.228 176.318 176.094 -0.006 0.000 1.021 375 V CA -0.705 61.601 62.300 0.009 0.000 0.848 375 V CB 1.276 33.078 31.823 -0.035 0.000 0.998 375 V HN 0.824 nan 8.190 nan 0.000 0.424 376 A N 4.831 127.596 122.820 -0.092 0.000 2.294 376 A HA 0.954 5.275 4.320 0.000 0.000 0.330 376 A C -0.914 176.508 177.584 -0.271 0.000 1.133 376 A CA -0.609 51.236 52.037 -0.320 0.000 0.836 376 A CB 1.819 20.565 19.000 -0.424 0.000 1.190 376 A HN 0.722 nan 8.150 nan 0.000 0.492 377 V N 2.406 122.117 119.914 -0.338 0.000 2.655 377 V HA 0.281 4.401 4.120 0.000 0.000 0.301 377 V C -0.880 175.045 176.094 -0.282 0.000 1.082 377 V CA -0.079 62.070 62.300 -0.251 0.000 0.899 377 V CB 1.594 33.308 31.823 -0.182 0.000 1.014 377 V HN 0.753 nan 8.190 nan 0.000 0.429 378 I N 5.144 125.536 120.570 -0.297 0.000 2.304 378 I HA 0.483 4.653 4.170 0.000 0.000 0.291 378 I C 0.375 176.285 176.117 -0.345 0.000 1.018 378 I CA -0.397 60.682 61.300 -0.367 0.000 1.260 378 I CB 0.984 38.651 38.000 -0.554 0.000 1.390 378 I HN 0.423 nan 8.210 nan 0.000 0.475 379 R N 5.802 126.143 120.500 -0.266 0.000 2.233 379 R HA 0.405 4.745 4.340 0.000 0.000 0.334 379 R C -0.803 175.379 176.300 -0.197 0.000 1.037 379 R CA -0.668 55.313 56.100 -0.199 0.000 0.920 379 R CB 1.260 31.481 30.300 -0.131 0.000 1.137 379 R HN 0.381 nan 8.270 nan 0.000 0.492 380 V N 2.616 122.398 119.914 -0.220 0.000 2.572 380 V HA 0.233 4.353 4.120 0.000 0.000 0.291 380 V C 1.046 177.120 176.094 -0.034 0.000 1.039 380 V CA -0.158 62.064 62.300 -0.130 0.000 1.055 380 V CB 1.175 32.951 31.823 -0.079 0.000 0.969 380 V HN 0.874 nan 8.190 nan 0.000 0.482 381 G N 2.698 111.503 108.800 0.009 0.000 2.432 381 G HA2 0.854 4.815 3.960 0.000 0.000 0.331 381 G HA3 0.854 4.815 3.960 0.000 0.000 0.331 381 G C -0.724 174.198 174.900 0.036 0.000 1.170 381 G CA -0.069 45.039 45.100 0.014 0.000 0.943 381 G HN 1.242 nan 8.290 nan 0.000 0.483 382 A N -0.619 122.216 122.820 0.025 0.000 2.586 382 A HA 0.775 5.096 4.320 0.000 0.000 0.290 382 A C 0.544 178.138 177.584 0.017 0.000 1.086 382 A CA 0.352 52.406 52.037 0.028 0.000 0.665 382 A CB 0.711 19.731 19.000 0.034 0.000 1.279 382 A HN 1.855 nan 8.150 nan 0.000 0.423 383 A N -0.320 122.509 122.820 0.015 0.000 2.030 383 A HA 0.477 4.797 4.320 0.000 0.000 0.215 383 A C 1.121 178.711 177.584 0.009 0.000 1.164 383 A CA 2.030 54.073 52.037 0.011 0.000 0.697 383 A CB -0.365 18.640 19.000 0.009 0.000 0.827 383 A HN 2.057 nan 8.150 nan 0.000 0.457 384 T N -4.406 110.155 114.554 0.011 0.000 2.903 384 T HA 0.502 4.852 4.350 0.000 0.000 0.299 384 T C 0.324 175.032 174.700 0.012 0.000 1.093 384 T CA -0.053 62.053 62.100 0.010 0.000 1.002 384 T CB 1.890 70.763 68.868 0.009 0.000 1.127 384 T HN 0.000 nan 8.240 nan 0.000 0.488 385 E N 1.400 121.606 120.200 0.010 0.000 2.070 385 E HA -0.118 4.232 4.350 0.000 0.000 0.197 385 E C 1.985 178.593 176.600 0.014 0.000 1.004 385 E CA 2.396 58.803 56.400 0.012 0.000 0.805 385 E CB -0.921 28.785 29.700 0.009 0.000 0.744 385 E HN 0.792 nan 8.360 nan 0.000 0.451 386 T N 0.261 114.822 114.554 0.012 0.000 2.720 386 T HA -0.191 4.160 4.350 0.000 0.000 0.268 386 T C 1.739 176.447 174.700 0.014 0.000 1.037 386 T CA 1.537 63.643 62.100 0.010 0.000 1.144 386 T CB -0.309 68.563 68.868 0.006 0.000 0.864 386 T HN 0.356 nan 8.240 nan 0.000 0.444 387 E N 0.413 120.623 120.200 0.016 0.000 2.028 387 E HA -0.126 4.225 4.350 0.000 0.000 0.191 387 E C 2.188 178.809 176.600 0.034 0.000 0.988 387 E CA 0.850 57.263 56.400 0.021 0.000 0.799 387 E CB -0.243 29.468 29.700 0.019 0.000 0.755 387 E HN 0.263 nan 8.360 nan 0.000 0.447 388 L N 1.988 123.232 121.223 0.035 0.000 1.978 388 L HA -0.269 4.072 4.340 0.000 0.000 0.218 388 L C 2.395 179.301 176.870 0.060 0.000 1.075 388 L CA 2.393 57.261 54.840 0.047 0.000 0.767 388 L CB -0.613 41.465 42.059 0.031 0.000 0.890 388 L HN 0.079 nan 8.230 nan 0.000 0.434 389 K N -1.176 119.251 120.400 0.045 0.000 2.173 389 K HA -0.286 4.034 4.320 0.000 0.000 0.207 389 K C 2.040 178.686 176.600 0.077 0.000 1.046 389 K CA 1.901 58.219 56.287 0.051 0.000 0.929 389 K CB -0.062 32.454 32.500 0.027 0.000 0.720 389 K HN 0.491 nan 8.250 nan 0.000 0.453 390 E N 0.731 120.971 120.200 0.066 0.000 2.102 390 E HA -0.080 4.270 4.350 0.000 0.000 0.190 390 E C 1.772 178.444 176.600 0.119 0.000 0.971 390 E CA 1.149 57.596 56.400 0.078 0.000 0.821 390 E CB 0.013 29.732 29.700 0.032 0.000 0.777 390 E HN 0.222 nan 8.360 nan 0.000 0.460 391 K N 0.693 121.152 120.400 0.099 0.000 2.032 391 K HA -0.221 4.099 4.320 0.000 0.000 0.209 391 K C 2.191 178.927 176.600 0.228 0.000 1.048 391 K CA 1.752 58.110 56.287 0.117 0.000 0.927 391 K CB -0.132 32.441 32.500 0.122 0.000 0.712 391 K HN 0.001 nan 8.250 nan 0.000 0.441 392 K N -0.392 120.137 120.400 0.215 0.000 2.032 392 K HA -0.263 4.057 4.320 0.000 0.000 0.209 392 K C 2.153 178.887 176.600 0.223 0.000 1.048 392 K CA 2.075 58.495 56.287 0.222 0.000 0.927 392 K CB -0.259 32.311 32.500 0.116 0.000 0.712 392 K HN 0.304 nan 8.250 nan 0.000 0.441 393 H N 0.220 119.346 119.070 0.093 0.000 2.421 393 H HA 0.008 4.565 4.556 0.001 0.000 0.298 393 H C 1.927 177.289 175.328 0.056 0.000 1.087 393 H CA 1.637 57.723 56.048 0.063 0.000 1.330 393 H CB 0.249 30.030 29.762 0.032 0.000 1.388 393 H HN 0.148 nan 8.280 nan 0.000 0.526 394 R N -0.949 119.597 120.500 0.078 0.000 2.075 394 R HA -0.115 4.225 4.340 0.000 0.000 0.232 394 R C 2.012 178.244 176.300 -0.113 0.000 1.126 394 R CA 1.501 57.569 56.100 -0.052 0.000 0.963 394 R CB -0.335 29.905 30.300 -0.099 0.000 0.858 394 R HN 0.329 nan 8.270 nan 0.000 0.435 395 F N 1.377 121.285 119.950 -0.069 0.000 2.069 395 F HA -0.218 4.309 4.527 0.000 0.000 0.298 395 F C 2.378 178.112 175.800 -0.110 0.000 1.113 395 F CA 1.564 59.519 58.000 -0.074 0.000 1.214 395 F CB -0.170 38.795 39.000 -0.059 0.000 0.978 395 F HN 0.073 nan 8.300 nan 0.000 0.474 396 E N -0.073 120.156 120.200 0.049 0.000 2.097 396 E HA -0.250 4.100 4.350 0.000 0.000 0.196 396 E C 1.731 178.251 176.600 -0.133 0.000 1.000 396 E CA 1.563 57.919 56.400 -0.074 0.000 0.804 396 E CB -0.337 29.269 29.700 -0.156 0.000 0.740 396 E HN 0.396 nan 8.360 nan 0.000 0.454 397 D N 0.540 120.804 120.400 -0.227 0.000 2.084 397 D HA -0.122 4.518 4.640 0.000 0.000 0.194 397 D C 1.985 178.236 176.300 -0.082 0.000 0.990 397 D CA 1.454 55.354 54.000 -0.166 0.000 0.826 397 D CB -0.429 40.276 40.800 -0.158 0.000 0.971 397 D HN 0.171 nan 8.370 nan 0.000 0.453 398 A N 0.727 123.504 122.820 -0.071 0.000 1.903 398 A HA -0.208 4.112 4.320 0.000 0.000 0.219 398 A C 2.423 179.996 177.584 -0.018 0.000 1.191 398 A CA 1.316 53.325 52.037 -0.046 0.000 0.638 398 A CB -0.926 18.040 19.000 -0.056 0.000 0.823 398 A HN 0.248 nan 8.150 nan 0.000 0.451 399 L N -0.447 120.775 121.223 -0.001 0.000 1.976 399 L HA -0.231 4.110 4.340 0.000 0.000 0.209 399 L C 2.411 179.274 176.870 -0.011 0.000 1.071 399 L CA 1.525 56.367 54.840 0.003 0.000 0.746 399 L CB -0.795 41.268 42.059 0.007 0.000 0.890 399 L HN 0.432 nan 8.230 nan 0.000 0.432 400 N N 0.228 118.914 118.700 -0.023 0.000 2.184 400 N HA -0.221 4.519 4.740 0.000 0.000 0.190 400 N C 1.745 177.247 175.510 -0.015 0.000 1.011 400 N CA 1.632 54.670 53.050 -0.019 0.000 0.867 400 N CB -0.231 38.239 38.487 -0.028 0.000 0.993 400 N HN 0.395 nan 8.380 nan 0.000 0.433 401 A N 1.038 123.846 122.820 -0.019 0.000 1.841 401 A HA -0.114 4.207 4.320 0.000 0.000 0.214 401 A C 2.434 180.012 177.584 -0.010 0.000 1.195 401 A CA 2.088 54.115 52.037 -0.016 0.000 0.611 401 A CB -1.243 17.744 19.000 -0.023 0.000 0.835 401 A HN 0.289 nan 8.150 nan 0.000 0.443 402 T N 0.325 114.874 114.554 -0.008 0.000 2.620 402 T HA -0.240 4.110 4.350 0.000 0.000 0.267 402 T C 2.084 176.783 174.700 -0.001 0.000 1.044 402 T CA 1.733 63.832 62.100 -0.002 0.000 1.161 402 T CB -0.367 68.502 68.868 0.003 0.000 0.862 402 T HN 0.360 nan 8.240 nan 0.000 0.438 403 R N 1.422 121.921 120.500 -0.001 0.000 2.094 403 R HA 0.016 4.356 4.340 0.000 0.000 0.239 403 R C 2.800 179.100 176.300 0.000 0.000 1.137 403 R CA 1.708 57.808 56.100 -0.000 0.000 0.943 403 R CB -1.418 28.881 30.300 -0.001 0.000 0.850 403 R HN 0.512 nan 8.270 nan 0.000 0.433 404 A N 1.004 123.823 122.820 -0.002 0.000 2.019 404 A HA -0.017 4.303 4.320 0.000 0.000 0.219 404 A C 2.361 179.944 177.584 -0.001 0.000 1.164 404 A CA 1.668 53.704 52.037 -0.001 0.000 0.644 404 A CB -0.451 18.548 19.000 -0.002 0.000 0.805 404 A HN 0.378 nan 8.150 nan 0.000 0.449 405 A N -0.450 122.369 122.820 -0.002 0.000 1.873 405 A HA 0.004 4.324 4.320 0.000 0.000 0.215 405 A C 2.193 179.777 177.584 0.001 0.000 1.186 405 A CA 1.743 53.779 52.037 -0.001 0.000 0.616 405 A CB -0.929 18.069 19.000 -0.003 0.000 0.823 405 A HN 0.393 nan 8.150 nan 0.000 0.442 406 V N 0.289 120.205 119.914 0.002 0.000 2.407 406 V HA -0.266 3.854 4.120 0.000 0.000 0.248 406 V C 2.380 178.476 176.094 0.004 0.000 1.055 406 V CA 2.238 64.540 62.300 0.004 0.000 1.049 406 V CB -0.930 30.896 31.823 0.005 0.000 0.662 406 V HN 0.616 nan 8.190 nan 0.000 0.455 407 E N 0.286 120.488 120.200 0.003 0.000 2.001 407 E HA -0.204 4.146 4.350 0.000 0.000 0.195 407 E C 1.871 178.473 176.600 0.004 0.000 1.002 407 E CA 1.565 57.967 56.400 0.004 0.000 0.819 407 E CB -0.133 29.569 29.700 0.003 0.000 0.769 407 E HN 0.654 nan 8.360 nan 0.000 0.454 408 E N -0.105 120.097 120.200 0.003 0.000 2.476 408 E HA 0.223 4.574 4.350 0.000 0.000 0.196 408 E C 0.377 176.979 176.600 0.003 0.000 1.029 408 E CA 0.129 56.531 56.400 0.003 0.000 0.896 408 E CB 1.244 30.946 29.700 0.003 0.000 1.012 408 E HN 0.292 nan 8.360 nan 0.000 0.475 409 G N 1.442 110.243 108.800 0.002 0.000 2.466 409 G HA2 -0.158 3.803 3.960 0.000 0.000 0.316 409 G HA3 -0.158 3.803 3.960 0.000 0.000 0.316 409 G C -1.112 173.789 174.900 0.001 0.000 1.270 409 G CA -0.774 44.327 45.100 0.002 0.000 0.982 409 G HN 0.115 nan 8.290 nan 0.000 0.506 410 I N 0.363 120.933 120.570 0.000 0.000 2.647 410 I HA 0.657 4.827 4.170 0.000 0.000 0.295 410 I C 0.297 176.413 176.117 -0.001 0.000 1.078 410 I CA -1.101 60.198 61.300 -0.002 0.000 1.048 410 I CB 2.008 40.007 38.000 -0.002 0.000 1.239 410 I HN 1.020 nan 8.210 nan 0.000 0.421 411 V N 3.950 123.862 119.914 -0.003 0.000 3.141 411 V HA 0.722 4.842 4.120 0.000 0.000 0.312 411 V C -2.766 173.325 176.094 -0.005 0.000 1.157 411 V CA -2.186 60.113 62.300 -0.001 0.000 1.041 411 V CB 1.538 33.361 31.823 0.001 0.000 1.071 411 V HN 0.532 nan 8.190 nan 0.000 0.441 412 P HA 0.272 nan 4.420 nan 0.000 0.271 412 P C 0.207 177.495 177.300 -0.020 0.000 1.216 412 P CA 0.586 63.680 63.100 -0.010 0.000 0.776 412 P CB 1.172 32.873 31.700 0.001 0.000 0.881 413 G N 1.366 110.145 108.800 -0.035 0.000 2.546 413 G HA2 0.389 4.350 3.960 0.000 0.000 0.239 413 G HA3 0.389 4.350 3.960 0.000 0.000 0.239 413 G C 0.794 175.662 174.900 -0.054 0.000 1.476 413 G CA -0.235 44.839 45.100 -0.044 0.000 1.064 413 G HN 0.725 nan 8.290 nan 0.000 0.561 414 G N -1.719 107.043 108.800 -0.064 0.000 2.296 414 G HA2 0.184 4.144 3.960 0.000 0.000 0.282 414 G HA3 0.184 4.144 3.960 0.000 0.000 0.282 414 G C 1.573 176.448 174.900 -0.042 0.000 1.014 414 G CA 1.356 46.415 45.100 -0.070 0.000 0.812 414 G HN 2.422 nan 8.290 nan 0.000 0.508 415 G N -2.705 106.079 108.800 -0.028 0.000 2.220 415 G HA2 -0.288 3.673 3.960 0.000 0.000 0.269 415 G HA3 -0.288 3.673 3.960 0.000 0.000 0.269 415 G C 1.529 176.424 174.900 -0.008 0.000 0.977 415 G CA 1.313 46.405 45.100 -0.013 0.000 0.634 415 G HN 1.470 nan 8.290 nan 0.000 0.539 416 V N 0.514 120.418 119.914 -0.016 0.000 2.282 416 V HA -0.249 3.871 4.120 0.000 0.000 0.249 416 V C 2.922 179.022 176.094 0.010 0.000 1.057 416 V CA 3.329 65.626 62.300 -0.005 0.000 1.032 416 V CB -1.050 30.762 31.823 -0.017 0.000 0.645 416 V HN 0.682 nan 8.190 nan 0.000 0.447 417 T N -0.357 114.200 114.554 0.005 0.000 2.720 417 T HA -0.191 4.160 4.350 0.000 0.000 0.268 417 T C 1.676 176.384 174.700 0.012 0.000 1.037 417 T CA 1.917 64.023 62.100 0.010 0.000 1.144 417 T CB -0.261 68.610 68.868 0.005 0.000 0.864 417 T HN 0.330 nan 8.240 nan 0.000 0.444 418 L N 0.443 121.671 121.223 0.009 0.000 2.217 418 L HA 0.184 4.524 4.340 0.000 0.000 0.211 418 L C 2.447 179.326 176.870 0.015 0.000 1.107 418 L CA 0.871 55.717 54.840 0.010 0.000 0.783 418 L CB -0.542 41.522 42.059 0.007 0.000 0.919 418 L HN 0.278 nan 8.230 nan 0.000 0.442 419 L N -0.926 120.308 121.223 0.018 0.000 2.056 419 L HA -0.137 4.203 4.340 0.000 0.000 0.207 419 L C 2.660 179.548 176.870 0.030 0.000 1.078 419 L CA 0.781 55.636 54.840 0.025 0.000 0.749 419 L CB -0.417 41.660 42.059 0.031 0.000 0.901 419 L HN 0.220 nan 8.230 nan 0.000 0.433 420 R N 0.248 120.767 120.500 0.032 0.000 2.193 420 R HA -0.079 4.261 4.340 0.000 0.000 0.229 420 R C 2.091 178.407 176.300 0.026 0.000 1.110 420 R CA 1.179 57.299 56.100 0.034 0.000 0.988 420 R CB -0.912 29.409 30.300 0.036 0.000 0.871 420 R HN 0.333 nan 8.270 nan 0.000 0.458 421 A N 0.845 123.677 122.820 0.021 0.000 2.119 421 A HA -0.021 4.299 4.320 0.000 0.000 0.217 421 A C 2.183 179.777 177.584 0.017 0.000 1.153 421 A CA 0.529 52.576 52.037 0.017 0.000 0.692 421 A CB -0.376 18.633 19.000 0.014 0.000 0.799 421 A HN 0.166 nan 8.150 nan 0.000 0.458 422 I N 0.775 121.356 120.570 0.019 0.000 2.127 422 I HA -0.316 3.855 4.170 0.000 0.000 0.241 422 I C 2.927 179.054 176.117 0.017 0.000 1.075 422 I CA 1.739 63.050 61.300 0.018 0.000 1.334 422 I CB -0.488 37.524 38.000 0.020 0.000 1.040 422 I HN 0.504 nan 8.210 nan 0.000 0.405 423 S N 1.478 117.190 115.700 0.019 0.000 2.392 423 S HA -0.271 4.200 4.470 0.000 0.000 0.232 423 S C 2.170 176.778 174.600 0.014 0.000 1.041 423 S CA 1.215 59.426 58.200 0.017 0.000 1.026 423 S CB -0.804 62.407 63.200 0.020 0.000 0.845 423 S HN 0.475 nan 8.310 nan 0.000 0.465 424 A N 1.539 124.367 122.820 0.014 0.000 1.898 424 A HA 0.103 4.423 4.320 0.000 0.000 0.216 424 A C 2.447 180.038 177.584 0.011 0.000 1.181 424 A CA 1.559 53.603 52.037 0.012 0.000 0.620 424 A CB -1.032 17.975 19.000 0.012 0.000 0.819 424 A HN 0.498 nan 8.150 nan 0.000 0.442 425 V N -0.029 119.892 119.914 0.011 0.000 2.427 425 V HA -0.227 3.894 4.120 0.000 0.000 0.248 425 V C 2.473 178.573 176.094 0.010 0.000 1.051 425 V CA 2.269 64.575 62.300 0.010 0.000 1.048 425 V CB -0.874 30.955 31.823 0.010 0.000 0.666 425 V HN 0.642 nan 8.190 nan 0.000 0.456 426 E N 0.887 121.094 120.200 0.010 0.000 2.033 426 E HA -0.275 4.075 4.350 0.000 0.000 0.199 426 E C 2.158 178.763 176.600 0.009 0.000 1.011 426 E CA 1.876 58.282 56.400 0.010 0.000 0.815 426 E CB -0.352 29.354 29.700 0.011 0.000 0.755 426 E HN 0.545 nan 8.360 nan 0.000 0.451 427 E N -0.280 119.925 120.200 0.009 0.000 2.097 427 E HA -0.189 4.161 4.350 0.000 0.000 0.196 427 E C 1.946 178.551 176.600 0.007 0.000 1.000 427 E CA 1.134 57.538 56.400 0.008 0.000 0.804 427 E CB -0.507 29.198 29.700 0.008 0.000 0.740 427 E HN 0.315 nan 8.360 nan 0.000 0.454 428 L N 0.284 121.511 121.223 0.007 0.000 2.046 428 L HA -0.096 4.244 4.340 0.000 0.000 0.208 428 L C 2.077 178.951 176.870 0.006 0.000 1.077 428 L CA 1.649 56.493 54.840 0.007 0.000 0.747 428 L CB -0.549 41.515 42.059 0.007 0.000 0.896 428 L HN 0.243 nan 8.230 nan 0.000 0.432 429 I N -0.311 120.264 120.570 0.007 0.000 2.208 429 I HA -0.344 3.827 4.170 0.000 0.000 0.245 429 I C 2.359 178.479 176.117 0.006 0.000 1.097 429 I CA 1.529 62.833 61.300 0.006 0.000 1.363 429 I CB -0.495 37.509 38.000 0.007 0.000 1.051 429 I HN 0.278 nan 8.210 nan 0.000 0.413 430 K N 0.576 120.979 120.400 0.006 0.000 2.286 430 K HA -0.231 4.089 4.320 0.000 0.000 0.203 430 K C 1.901 178.504 176.600 0.005 0.000 1.045 430 K CA 1.132 57.422 56.287 0.005 0.000 0.935 430 K CB -0.129 32.374 32.500 0.005 0.000 0.737 430 K HN 0.035 nan 8.250 nan 0.000 0.460 431 K N 0.647 121.050 120.400 0.005 0.000 2.374 431 K HA 0.176 4.496 4.320 0.000 0.000 0.196 431 K C -0.055 176.548 176.600 0.005 0.000 1.023 431 K CA 0.148 56.438 56.287 0.005 0.000 1.103 431 K CB 0.374 32.877 32.500 0.005 0.000 0.848 431 K HN -0.044 nan 8.250 nan 0.000 0.528 432 L N 0.334 121.560 121.223 0.005 0.000 2.332 432 L HA 0.450 4.791 4.340 0.000 0.000 0.269 432 L C 0.135 177.007 176.870 0.005 0.000 1.016 432 L CA -0.749 54.094 54.840 0.005 0.000 0.809 432 L CB 1.826 43.889 42.059 0.005 0.000 1.280 432 L HN 0.044 nan 8.230 nan 0.000 0.447 433 E N -0.604 119.599 120.200 0.005 0.000 2.447 433 E HA 0.517 4.867 4.350 0.000 0.000 0.258 433 E C -0.020 176.583 176.600 0.005 0.000 0.916 433 E CA -0.381 56.021 56.400 0.005 0.000 0.846 433 E CB 1.427 31.129 29.700 0.004 0.000 1.517 433 E HN 0.716 nan 8.360 nan 0.000 0.418 434 G N 1.134 109.937 108.800 0.005 0.000 2.551 434 G HA2 -0.372 3.588 3.960 0.000 0.000 0.383 434 G HA3 -0.372 3.588 3.960 0.000 0.000 0.383 434 G C 0.432 175.335 174.900 0.005 0.000 1.370 434 G CA 0.796 45.899 45.100 0.005 0.000 0.940 434 G HN 0.693 nan 8.290 nan 0.000 0.524 435 D N 0.078 120.481 120.400 0.006 0.000 2.218 435 D HA -0.061 4.580 4.640 0.000 0.000 0.204 435 D C 2.146 178.450 176.300 0.006 0.000 0.976 435 D CA 1.340 55.344 54.000 0.006 0.000 0.853 435 D CB -0.199 40.605 40.800 0.007 0.000 0.939 435 D HN 0.671 nan 8.370 nan 0.000 0.481 436 E N 0.436 120.640 120.200 0.006 0.000 2.118 436 E HA -0.161 4.189 4.350 0.000 0.000 0.195 436 E C 1.966 178.570 176.600 0.006 0.000 0.992 436 E CA 0.934 57.338 56.400 0.006 0.000 0.804 436 E CB 0.100 29.803 29.700 0.006 0.000 0.741 436 E HN 0.187 nan 8.360 nan 0.000 0.458 437 A N -0.062 122.762 122.820 0.006 0.000 1.929 437 A HA -0.114 4.206 4.320 0.000 0.000 0.216 437 A C 2.300 179.888 177.584 0.006 0.000 1.176 437 A CA 1.624 53.665 52.037 0.006 0.000 0.628 437 A CB -0.621 18.382 19.000 0.006 0.000 0.816 437 A HN 0.244 nan 8.150 nan 0.000 0.444 438 T N 0.004 114.562 114.554 0.006 0.000 2.708 438 T HA -0.070 4.280 4.350 0.000 0.000 0.266 438 T C 2.025 176.729 174.700 0.007 0.000 1.037 438 T CA 1.538 63.642 62.100 0.006 0.000 1.146 438 T CB -0.771 68.101 68.868 0.006 0.000 0.865 438 T HN 0.575 nan 8.240 nan 0.000 0.435 439 G N 1.408 110.212 108.800 0.007 0.000 2.491 439 G HA2 -0.174 3.786 3.960 0.000 0.000 0.218 439 G HA3 -0.174 3.786 3.960 0.000 0.000 0.218 439 G C 1.861 176.765 174.900 0.007 0.000 1.180 439 G CA 1.173 46.277 45.100 0.007 0.000 0.774 439 G HN 0.601 nan 8.290 nan 0.000 0.562 440 A N 0.785 123.609 122.820 0.007 0.000 1.908 440 A HA -0.093 4.227 4.320 0.000 0.000 0.218 440 A C 2.316 179.904 177.584 0.007 0.000 1.181 440 A CA 2.180 54.221 52.037 0.007 0.000 0.627 440 A CB -0.449 18.555 19.000 0.007 0.000 0.818 440 A HN 0.419 nan 8.150 nan 0.000 0.445 441 K N -0.474 119.930 120.400 0.007 0.000 2.103 441 K HA -0.117 4.203 4.320 0.000 0.000 0.207 441 K C 1.798 178.403 176.600 0.008 0.000 1.048 441 K CA 1.565 57.856 56.287 0.008 0.000 0.930 441 K CB -0.445 32.059 32.500 0.007 0.000 0.716 441 K HN 0.581 nan 8.250 nan 0.000 0.444 442 I N 0.651 121.225 120.570 0.007 0.000 2.151 442 I HA -0.317 3.854 4.170 0.000 0.000 0.243 442 I C 2.241 178.362 176.117 0.008 0.000 1.080 442 I CA 1.275 62.580 61.300 0.007 0.000 1.339 442 I CB -0.452 37.552 38.000 0.007 0.000 1.039 442 I HN -0.047 nan 8.210 nan 0.000 0.409 443 V N 0.768 120.686 119.914 0.008 0.000 2.343 443 V HA -0.298 3.823 4.120 0.000 0.000 0.247 443 V C 2.635 178.734 176.094 0.009 0.000 1.051 443 V CA 2.019 64.324 62.300 0.008 0.000 1.036 443 V CB -0.859 30.968 31.823 0.008 0.000 0.654 443 V HN 0.427 nan 8.190 nan 0.000 0.451 444 R N 0.132 120.637 120.500 0.009 0.000 2.119 444 R HA -0.283 4.057 4.340 0.000 0.000 0.246 444 R C 2.446 178.753 176.300 0.011 0.000 1.146 444 R CA 2.341 58.447 56.100 0.010 0.000 0.962 444 R CB -0.228 30.079 30.300 0.010 0.000 0.863 444 R HN 0.396 nan 8.270 nan 0.000 0.442 445 R N 0.453 120.959 120.500 0.010 0.000 2.055 445 R HA 0.037 4.377 4.340 0.000 0.000 0.228 445 R C 2.074 178.380 176.300 0.010 0.000 1.143 445 R CA 2.002 58.108 56.100 0.010 0.000 0.945 445 R CB -1.042 29.263 30.300 0.009 0.000 0.841 445 R HN 0.288 nan 8.270 nan 0.000 0.429 446 A N 1.203 124.028 122.820 0.009 0.000 1.929 446 A HA -0.227 4.093 4.320 0.000 0.000 0.221 446 A C 2.314 179.903 177.584 0.009 0.000 1.211 446 A CA 2.109 54.151 52.037 0.008 0.000 0.657 446 A CB -1.101 17.904 19.000 0.007 0.000 0.827 446 A HN 0.425 nan 8.150 nan 0.000 0.462 447 L N -0.855 120.374 121.223 0.010 0.000 2.270 447 L HA -0.266 4.074 4.340 0.000 0.000 0.217 447 L C 2.398 179.275 176.870 0.011 0.000 1.107 447 L CA 1.770 56.616 54.840 0.010 0.000 0.772 447 L CB -0.562 41.504 42.059 0.012 0.000 0.902 447 L HN 0.555 nan 8.230 nan 0.000 0.439 448 E N -1.038 119.169 120.200 0.012 0.000 2.230 448 E HA -0.132 4.218 4.350 0.000 0.000 0.192 448 E C 1.904 178.510 176.600 0.010 0.000 0.987 448 E CA 0.005 56.412 56.400 0.012 0.000 0.841 448 E CB 0.090 29.798 29.700 0.013 0.000 0.783 448 E HN 0.320 nan 8.360 nan 0.000 0.481 449 E N 0.802 121.008 120.200 0.010 0.000 2.086 449 E HA -0.179 4.171 4.350 0.000 0.000 0.205 449 E C -0.665 175.940 176.600 0.009 0.000 1.027 449 E CA 1.538 57.943 56.400 0.009 0.000 0.830 449 E CB -1.516 28.189 29.700 0.008 0.000 0.751 449 E HN 0.230 nan 8.360 nan 0.000 0.456 450 P HA -0.160 nan 4.420 nan 0.000 0.214 450 P C 1.288 178.591 177.300 0.005 0.000 1.163 450 P CA 2.423 65.525 63.100 0.005 0.000 0.889 450 P CB -0.212 31.489 31.700 0.002 0.000 0.790 451 A N -0.354 122.468 122.820 0.005 0.000 1.883 451 A HA -0.256 4.064 4.320 0.000 0.000 0.217 451 A C 2.293 179.884 177.584 0.012 0.000 1.186 451 A CA 1.669 53.709 52.037 0.005 0.000 0.624 451 A CB -1.155 17.847 19.000 0.004 0.000 0.822 451 A HN 0.021 nan 8.150 nan 0.000 0.444 452 R N -1.141 119.367 120.500 0.012 0.000 2.088 452 R HA -0.162 4.178 4.340 0.000 0.000 0.232 452 R C 2.485 178.802 176.300 0.028 0.000 1.136 452 R CA 1.648 57.757 56.100 0.016 0.000 0.926 452 R CB -0.473 29.835 30.300 0.014 0.000 0.837 452 R HN 0.518 nan 8.270 nan 0.000 0.429 453 Q N 0.530 120.344 119.800 0.024 0.000 2.173 453 Q HA -0.180 4.160 4.340 0.000 0.000 0.208 453 Q C 2.169 178.190 176.000 0.036 0.000 0.989 453 Q CA 1.517 57.337 55.803 0.027 0.000 0.872 453 Q CB -0.325 28.423 28.738 0.018 0.000 0.909 453 Q HN 0.461 nan 8.270 nan 0.000 0.420 454 I N 0.086 120.674 120.570 0.031 0.000 2.113 454 I HA -0.298 3.872 4.170 0.000 0.000 0.238 454 I C 2.360 178.521 176.117 0.073 0.000 1.070 454 I CA 1.198 62.517 61.300 0.032 0.000 1.332 454 I CB -0.561 37.445 38.000 0.009 0.000 1.044 454 I HN 0.089 nan 8.210 nan 0.000 0.402 455 A N 0.301 123.179 122.820 0.096 0.000 1.883 455 A HA -0.274 4.046 4.320 0.000 0.000 0.217 455 A C 2.174 179.886 177.584 0.213 0.000 1.186 455 A CA 2.077 54.216 52.037 0.170 0.000 0.624 455 A CB -0.639 18.400 19.000 0.066 0.000 0.822 455 A HN 0.401 nan 8.150 nan 0.000 0.444 456 E N 0.717 120.992 120.200 0.124 0.000 2.021 456 E HA -0.210 4.140 4.350 0.000 0.000 0.200 456 E C 1.693 178.355 176.600 0.103 0.000 1.015 456 E CA 2.043 58.504 56.400 0.102 0.000 0.824 456 E CB -0.597 29.137 29.700 0.056 0.000 0.762 456 E HN 0.750 nan 8.360 nan 0.000 0.454 457 N N -0.523 118.224 118.700 0.079 0.000 2.503 457 N HA -0.194 4.546 4.740 0.000 0.000 0.189 457 N C 1.212 176.776 175.510 0.091 0.000 1.048 457 N CA 0.514 53.602 53.050 0.063 0.000 0.905 457 N CB -0.102 38.410 38.487 0.043 0.000 0.951 457 N HN 0.201 nan 8.380 nan 0.000 0.446 458 A N 0.344 123.265 122.820 0.168 0.000 2.195 458 A HA 0.359 4.679 4.320 0.000 0.000 0.210 458 A C 1.443 179.178 177.584 0.252 0.000 1.165 458 A CA 0.698 52.884 52.037 0.249 0.000 0.806 458 A CB 0.195 19.405 19.000 0.349 0.000 0.847 458 A HN 0.280 nan 8.150 nan 0.000 0.482 459 G N -1.963 106.932 108.800 0.160 0.000 2.226 459 G HA2 -0.152 3.808 3.960 0.000 0.000 0.176 459 G HA3 -0.152 3.808 3.960 0.000 0.000 0.176 459 G C -0.379 174.350 174.900 -0.286 0.000 1.042 459 G CA 0.017 45.073 45.100 -0.074 0.000 0.732 459 G HN 0.396 nan 8.290 nan 0.000 0.494 460 Y N -0.868 119.452 120.300 0.033 0.000 2.665 460 Y HA 0.687 5.237 4.550 0.000 0.000 0.336 460 Y C 0.150 176.034 175.900 -0.027 0.000 1.085 460 Y CA -1.347 56.752 58.100 -0.001 0.000 1.096 460 Y CB 1.006 39.450 38.460 -0.026 0.000 1.301 460 Y HN -0.026 nan 8.280 nan 0.000 0.493 461 E N 0.887 121.160 120.200 0.121 0.000 2.052 461 E HA 0.183 4.533 4.350 0.000 0.000 0.283 461 E C 0.860 177.475 176.600 0.024 0.000 1.071 461 E CA 0.028 56.457 56.400 0.049 0.000 0.851 461 E CB 1.051 30.768 29.700 0.027 0.000 1.066 461 E HN 0.927 nan 8.360 nan 0.000 0.396 462 G N 3.080 111.896 108.800 0.027 0.000 2.672 462 G HA2 -0.379 3.582 3.960 0.000 0.000 0.218 462 G HA3 -0.379 3.582 3.960 0.000 0.000 0.218 462 G C 1.556 176.457 174.900 0.001 0.000 1.238 462 G CA 1.222 46.330 45.100 0.012 0.000 0.791 462 G HN 0.503 nan 8.290 nan 0.000 0.606 463 S N -0.083 115.621 115.700 0.007 0.000 2.372 463 S HA -0.174 4.296 4.470 0.000 0.000 0.227 463 S C 2.461 177.064 174.600 0.005 0.000 1.044 463 S CA 1.378 59.582 58.200 0.007 0.000 1.050 463 S CB -0.529 62.675 63.200 0.007 0.000 0.901 463 S HN 0.211 nan 8.310 nan 0.000 0.447 464 V N 2.108 122.023 119.914 0.002 0.000 2.220 464 V HA -0.214 3.906 4.120 0.000 0.000 0.246 464 V C 2.136 178.235 176.094 0.007 0.000 1.049 464 V CA 1.910 64.211 62.300 0.001 0.000 1.003 464 V CB -0.658 31.168 31.823 0.004 0.000 0.634 464 V HN 0.443 nan 8.190 nan 0.000 0.444 465 I N -0.381 120.173 120.570 -0.027 0.000 2.163 465 I HA -0.249 3.921 4.170 0.000 0.000 0.243 465 I C 2.382 178.538 176.117 0.065 0.000 1.085 465 I CA 1.437 62.724 61.300 -0.021 0.000 1.347 465 I CB -0.474 37.298 38.000 -0.380 0.000 1.044 465 I HN 0.155 nan 8.210 nan 0.000 0.408 466 V N 0.372 120.296 119.914 0.017 0.000 2.380 466 V HA -0.298 3.823 4.120 0.000 0.000 0.251 466 V C 2.513 178.644 176.094 0.061 0.000 1.063 466 V CA 1.638 63.961 62.300 0.039 0.000 1.055 466 V CB -0.663 31.172 31.823 0.021 0.000 0.657 466 V HN 0.465 nan 8.190 nan 0.000 0.455 467 Q N -0.417 119.411 119.800 0.047 0.000 2.046 467 Q HA -0.222 4.118 4.340 0.000 0.000 0.200 467 Q C 2.260 178.290 176.000 0.050 0.000 0.975 467 Q CA 1.782 57.608 55.803 0.038 0.000 0.836 467 Q CB -0.448 28.299 28.738 0.015 0.000 0.896 467 Q HN 0.738 nan 8.270 nan 0.000 0.428 468 Q N 0.034 119.859 119.800 0.042 0.000 2.170 468 Q HA -0.096 4.245 4.340 0.000 0.000 0.203 468 Q C 2.041 178.144 176.000 0.173 0.000 0.976 468 Q CA 0.729 56.523 55.803 -0.015 0.000 0.858 468 Q CB 0.031 28.560 28.738 -0.348 0.000 0.907 468 Q HN 0.352 nan 8.270 nan 0.000 0.433 469 I N 0.104 120.836 120.570 0.270 0.000 2.133 469 I HA -0.292 3.878 4.170 0.000 0.000 0.238 469 I C 1.965 178.223 176.117 0.235 0.000 1.074 469 I CA 0.946 62.416 61.300 0.283 0.000 1.342 469 I CB -0.172 37.926 38.000 0.164 0.000 1.053 469 I HN 0.241 nan 8.210 nan 0.000 0.404 470 L N 0.548 121.856 121.223 0.141 0.000 2.450 470 L HA -0.166 4.174 4.340 0.000 0.000 0.224 470 L C 2.568 179.491 176.870 0.089 0.000 1.149 470 L CA 0.665 55.565 54.840 0.100 0.000 0.816 470 L CB -0.608 41.490 42.059 0.064 0.000 0.932 470 L HN 0.256 nan 8.230 nan 0.000 0.449 471 A N -0.126 122.753 122.820 0.098 0.000 1.826 471 A HA -0.169 4.151 4.320 0.000 0.000 0.214 471 A C 1.330 178.939 177.584 0.041 0.000 1.212 471 A CA 0.494 52.563 52.037 0.052 0.000 0.605 471 A CB -0.381 18.635 19.000 0.027 0.000 0.861 471 A HN 0.326 nan 8.150 nan 0.000 0.447 472 E N 1.225 121.459 120.200 0.056 0.000 2.059 472 E HA 0.154 4.504 4.350 0.000 0.000 0.262 472 E C 0.115 176.727 176.600 0.020 0.000 1.230 472 E CA 0.456 56.820 56.400 -0.059 0.000 0.951 472 E CB 0.076 29.546 29.700 -0.384 0.000 1.038 472 E HN 0.474 nan 8.360 nan 0.000 0.425 473 T N 1.030 115.587 114.554 0.004 0.000 3.243 473 T HA 0.207 4.558 4.350 0.000 0.000 0.264 473 T C 0.781 175.484 174.700 0.006 0.000 1.000 473 T CA -0.438 61.677 62.100 0.025 0.000 0.901 473 T CB 0.231 69.112 68.868 0.022 0.000 1.083 473 T HN 0.279 nan 8.240 nan 0.000 0.559 474 K N 1.490 121.877 120.400 -0.021 0.000 2.044 474 K HA 0.102 4.423 4.320 0.000 0.000 0.204 474 K C 0.707 177.306 176.600 -0.001 0.000 1.045 474 K CA 0.519 56.792 56.287 -0.023 0.000 0.951 474 K CB -0.027 32.442 32.500 -0.052 0.000 0.738 474 K HN 0.298 nan 8.250 nan 0.000 0.443 475 N N 1.422 120.126 118.700 0.007 0.000 2.518 475 N HA 0.110 4.851 4.740 0.000 0.000 0.254 475 N C -2.113 173.456 175.510 0.097 0.000 0.979 475 N CA -2.298 50.778 53.050 0.044 0.000 0.930 475 N CB 1.427 39.938 38.487 0.040 0.000 1.152 475 N HN -0.186 nan 8.380 nan 0.000 0.505 476 P HA -0.174 nan 4.420 nan 0.000 0.220 476 P C 0.456 177.820 177.300 0.106 0.000 1.144 476 P CA 1.006 64.161 63.100 0.091 0.000 0.800 476 P CB 0.342 32.076 31.700 0.057 0.000 0.772 477 R N -1.838 118.724 120.500 0.103 0.000 2.339 477 R HA -0.034 4.307 4.340 0.000 0.000 0.199 477 R C 0.634 177.022 176.300 0.147 0.000 1.018 477 R CA -0.092 56.064 56.100 0.094 0.000 1.036 477 R CB -0.657 29.687 30.300 0.073 0.000 0.899 477 R HN 0.234 nan 8.270 nan 0.000 0.473 478 Y N 0.831 121.163 120.300 0.052 0.000 2.436 478 Y HA 0.342 4.892 4.550 0.001 0.000 0.336 478 Y C 0.454 176.421 175.900 0.111 0.000 1.049 478 Y CA -0.108 58.045 58.100 0.088 0.000 1.294 478 Y CB 0.631 39.151 38.460 0.099 0.000 1.179 478 Y HN 0.038 nan 8.280 nan 0.000 0.520 479 G N 4.586 113.169 108.800 -0.362 0.000 2.645 479 G HA2 0.360 4.320 3.960 0.000 0.000 0.292 479 G HA3 0.360 4.320 3.960 0.000 0.000 0.292 479 G C -2.279 172.350 174.900 -0.452 0.000 1.415 479 G CA -0.930 43.973 45.100 -0.328 0.000 0.785 479 G HN 0.461 nan 8.290 nan 0.000 0.483 480 F N 1.621 121.177 119.950 -0.657 0.000 2.415 480 F HA 0.526 5.054 4.527 0.000 0.000 0.348 480 F C 0.206 175.674 175.800 -0.552 0.000 1.119 480 F CA -1.707 55.733 58.000 -0.932 0.000 1.069 480 F CB 1.666 40.003 39.000 -1.104 0.000 1.124 480 F HN 0.305 nan 8.300 nan 0.000 0.472 481 N N 5.226 123.232 118.700 -1.156 0.000 2.807 481 N HA 0.141 4.881 4.740 0.000 0.000 0.259 481 N C 0.777 175.549 175.510 -1.230 0.000 1.149 481 N CA 0.409 52.936 53.050 -0.872 0.000 1.042 481 N CB 0.818 38.981 38.487 -0.540 0.000 1.367 481 N HN 0.806 nan 8.380 nan 0.000 0.516 482 A N 2.581 124.766 122.820 -1.058 0.000 2.255 482 A HA -0.116 4.205 4.320 0.000 0.000 0.218 482 A C 1.834 179.173 177.584 -0.408 0.000 1.175 482 A CA 1.804 53.393 52.037 -0.747 0.000 0.682 482 A CB -0.225 18.616 19.000 -0.264 0.000 0.784 482 A HN 0.655 nan 8.150 nan 0.000 0.482 483 A N -1.305 121.294 122.820 -0.367 0.000 2.063 483 A HA 0.180 4.500 4.320 0.000 0.000 0.211 483 A C 2.128 179.620 177.584 -0.153 0.000 1.177 483 A CA 1.639 53.563 52.037 -0.189 0.000 0.759 483 A CB -0.322 18.587 19.000 -0.151 0.000 0.857 483 A HN 0.722 nan 8.150 nan 0.000 0.468 484 T N -5.332 109.082 114.554 -0.234 0.000 2.990 484 T HA 0.411 4.762 4.350 0.000 0.000 0.250 484 T C 1.275 175.911 174.700 -0.107 0.000 1.041 484 T CA 1.141 63.160 62.100 -0.136 0.000 1.010 484 T CB 0.212 69.001 68.868 -0.131 0.000 1.003 484 T HN 1.662 nan 8.240 nan 0.000 0.499 485 G N 1.395 110.012 108.800 -0.306 0.000 2.212 485 G HA2 -0.158 3.802 3.960 0.000 0.000 0.255 485 G HA3 -0.158 3.802 3.960 0.000 0.000 0.255 485 G C -0.462 174.466 174.900 0.047 0.000 1.062 485 G CA 0.002 45.020 45.100 -0.136 0.000 0.815 485 G HN 0.690 nan 8.290 nan 0.000 0.497 486 E N -1.142 118.933 120.200 -0.209 0.000 2.314 486 E HA 0.554 4.904 4.350 0.000 0.000 0.272 486 E C -0.791 175.788 176.600 -0.035 0.000 0.884 486 E CA -1.042 55.393 56.400 0.058 0.000 0.753 486 E CB 1.425 31.151 29.700 0.043 0.000 1.213 486 E HN 0.054 nan 8.360 nan 0.000 0.432 487 F N 1.840 121.862 119.950 0.119 0.000 2.456 487 F HA 0.294 4.821 4.527 0.000 0.000 0.358 487 F C 0.660 176.481 175.800 0.036 0.000 1.095 487 F CA -0.215 57.797 58.000 0.020 0.000 1.216 487 F CB 0.892 39.915 39.000 0.038 0.000 1.125 487 F HN 0.205 nan 8.300 nan 0.000 0.549 488 V N -0.727 119.218 119.914 0.052 0.000 3.130 488 V HA 0.459 4.579 4.120 0.000 0.000 0.308 488 V C -1.169 174.998 176.094 0.121 0.000 1.413 488 V CA -1.146 61.225 62.300 0.118 0.000 1.053 488 V CB 1.808 33.638 31.823 0.011 0.000 1.075 488 V HN 0.562 nan 8.190 nan 0.000 0.465 489 D N 1.566 122.041 120.400 0.124 0.000 2.374 489 D HA 0.197 4.837 4.640 0.000 0.000 0.240 489 D C 1.239 177.558 176.300 0.031 0.000 1.229 489 D CA -0.388 53.678 54.000 0.109 0.000 0.895 489 D CB 1.288 42.143 40.800 0.092 0.000 1.046 489 D HN 0.531 nan 8.370 nan 0.000 0.498 490 M N 3.047 122.649 119.600 0.004 0.000 2.103 490 M HA -0.202 4.278 4.480 0.000 0.000 0.255 490 M C 2.046 178.332 176.300 -0.023 0.000 1.074 490 M CA 1.193 56.471 55.300 -0.036 0.000 1.090 490 M CB -1.002 31.573 32.600 -0.043 0.000 1.325 490 M HN 0.311 nan 8.290 nan 0.000 0.403 491 V N -0.062 119.852 119.914 -0.001 0.000 2.270 491 V HA -0.246 3.874 4.120 0.000 0.000 0.245 491 V C 2.405 178.498 176.094 -0.002 0.000 1.043 491 V CA 2.108 64.407 62.300 -0.001 0.000 1.014 491 V CB -0.811 31.017 31.823 0.009 0.000 0.645 491 V HN 0.529 nan 8.190 nan 0.000 0.447 492 E N 0.326 120.531 120.200 0.008 0.000 2.160 492 E HA -0.217 4.134 4.350 0.000 0.000 0.195 492 E C 2.040 178.637 176.600 -0.004 0.000 0.991 492 E CA 1.297 57.701 56.400 0.007 0.000 0.810 492 E CB -0.164 29.547 29.700 0.019 0.000 0.742 492 E HN 0.581 nan 8.360 nan 0.000 0.466 493 A N -0.013 122.799 122.820 -0.014 0.000 2.167 493 A HA 0.166 4.486 4.320 0.000 0.000 0.214 493 A C 1.763 179.323 177.584 -0.040 0.000 1.151 493 A CA 1.054 53.072 52.037 -0.032 0.000 0.735 493 A CB -0.374 18.593 19.000 -0.055 0.000 0.802 493 A HN 0.489 nan 8.150 nan 0.000 0.467 494 G N -1.078 107.703 108.800 -0.033 0.000 2.132 494 G HA2 -0.206 3.754 3.960 0.000 0.000 0.234 494 G HA3 -0.206 3.754 3.960 0.000 0.000 0.234 494 G C 0.094 174.966 174.900 -0.045 0.000 0.989 494 G CA 0.202 45.282 45.100 -0.034 0.000 0.676 494 G HN 0.524 nan 8.290 nan 0.000 0.522 495 I N 1.659 122.197 120.570 -0.054 0.000 2.317 495 I HA 0.426 4.596 4.170 0.000 0.000 0.286 495 I C 0.638 176.724 176.117 -0.051 0.000 1.119 495 I CA -0.864 60.396 61.300 -0.066 0.000 1.228 495 I CB 0.633 38.575 38.000 -0.098 0.000 1.476 495 I HN 0.158 nan 8.210 nan 0.000 0.514 496 V N 0.582 120.472 119.914 -0.040 0.000 2.960 496 V HA 0.697 4.818 4.120 0.000 0.000 0.315 496 V C -0.870 175.207 176.094 -0.027 0.000 1.087 496 V CA -0.676 61.607 62.300 -0.029 0.000 0.982 496 V CB 2.661 34.472 31.823 -0.020 0.000 1.039 496 V HN 0.230 nan 8.190 nan 0.000 0.437 497 D N 1.782 122.169 120.400 -0.021 0.000 2.671 497 D HA 0.493 5.133 4.640 0.000 0.000 0.232 497 D C -3.013 173.279 176.300 -0.012 0.000 1.114 497 D CA -1.353 52.636 54.000 -0.018 0.000 0.858 497 D CB 2.635 43.424 40.800 -0.018 0.000 1.544 497 D HN 0.486 nan 8.370 nan 0.000 0.471 498 P HA 0.043 nan 4.420 nan 0.000 0.264 498 P C 0.471 177.769 177.300 -0.004 0.000 1.229 498 P CA -0.052 63.044 63.100 -0.007 0.000 0.780 498 P CB 0.663 32.359 31.700 -0.007 0.000 0.808 499 A N 4.964 127.783 122.820 -0.002 0.000 2.042 499 A HA -0.251 4.069 4.320 0.000 0.000 0.222 499 A C 2.223 179.808 177.584 0.001 0.000 1.167 499 A CA 1.730 53.767 52.037 0.000 0.000 0.649 499 A CB -0.962 18.040 19.000 0.002 0.000 0.809 499 A HN 0.522 nan 8.150 nan 0.000 0.457 500 K N -0.011 120.389 120.400 0.001 0.000 2.026 500 K HA -0.130 4.190 4.320 0.000 0.000 0.208 500 K C 2.023 178.624 176.600 0.002 0.000 1.048 500 K CA 1.883 58.171 56.287 0.002 0.000 0.929 500 K CB -0.451 32.050 32.500 0.002 0.000 0.713 500 K HN 0.466 nan 8.250 nan 0.000 0.439 501 V N -0.794 119.120 119.914 -0.000 0.000 2.255 501 V HA -0.228 3.893 4.120 0.000 0.000 0.247 501 V C 2.019 178.113 176.094 0.001 0.000 1.051 501 V CA 2.334 64.634 62.300 0.000 0.000 1.018 501 V CB -1.450 30.371 31.823 -0.003 0.000 0.641 501 V HN 0.272 nan 8.190 nan 0.000 0.445 502 T N 0.586 115.139 114.554 -0.000 0.000 2.570 502 T HA -0.307 4.043 4.350 0.000 0.000 0.266 502 T C 2.001 176.702 174.700 0.003 0.000 1.071 502 T CA 2.837 64.938 62.100 0.000 0.000 1.172 502 T CB -0.514 68.354 68.868 -0.000 0.000 0.864 502 T HN 0.622 nan 8.240 nan 0.000 0.421 503 R N 0.697 121.199 120.500 0.003 0.000 2.113 503 R HA -0.163 4.177 4.340 0.000 0.000 0.244 503 R C 2.584 178.887 176.300 0.005 0.000 1.142 503 R CA 2.081 58.184 56.100 0.004 0.000 0.953 503 R CB -0.491 29.811 30.300 0.004 0.000 0.860 503 R HN 0.301 nan 8.270 nan 0.000 0.438 504 S N 0.457 116.160 115.700 0.004 0.000 2.343 504 S HA -0.157 4.313 4.470 0.000 0.000 0.219 504 S C 2.072 176.675 174.600 0.005 0.000 1.033 504 S CA 1.222 59.425 58.200 0.005 0.000 1.014 504 S CB -0.516 62.687 63.200 0.005 0.000 0.915 504 S HN 0.606 nan 8.310 nan 0.000 0.435 505 A N 1.783 124.606 122.820 0.005 0.000 1.896 505 A HA -0.199 4.122 4.320 0.000 0.000 0.220 505 A C 2.176 179.763 177.584 0.005 0.000 1.206 505 A CA 2.082 54.122 52.037 0.005 0.000 0.647 505 A CB -1.071 17.932 19.000 0.004 0.000 0.828 505 A HN 0.436 nan 8.150 nan 0.000 0.455 506 L N -0.236 120.990 121.223 0.005 0.000 2.046 506 L HA -0.203 4.137 4.340 0.000 0.000 0.208 506 L C 2.425 179.298 176.870 0.005 0.000 1.077 506 L CA 2.534 57.377 54.840 0.005 0.000 0.747 506 L CB -0.984 41.078 42.059 0.005 0.000 0.896 506 L HN 0.558 nan 8.230 nan 0.000 0.432 507 Q N -0.667 119.136 119.800 0.005 0.000 2.119 507 Q HA -0.160 4.180 4.340 0.000 0.000 0.201 507 Q C 1.916 177.919 176.000 0.005 0.000 0.972 507 Q CA 1.522 57.328 55.803 0.005 0.000 0.847 507 Q CB -0.222 28.519 28.738 0.005 0.000 0.903 507 Q HN 0.611 nan 8.270 nan 0.000 0.433 508 N N 0.568 119.271 118.700 0.005 0.000 2.171 508 N HA -0.076 4.664 4.740 0.000 0.000 0.184 508 N C 1.705 177.218 175.510 0.005 0.000 1.021 508 N CA 1.186 54.239 53.050 0.005 0.000 0.854 508 N CB -0.276 38.215 38.487 0.006 0.000 0.994 508 N HN 0.197 nan 8.380 nan 0.000 0.426 509 A N 1.465 124.288 122.820 0.005 0.000 1.851 509 A HA -0.050 4.270 4.320 0.000 0.000 0.216 509 A C 2.372 179.958 177.584 0.004 0.000 1.195 509 A CA 2.260 54.300 52.037 0.004 0.000 0.622 509 A CB -1.066 17.936 19.000 0.005 0.000 0.831 509 A HN 0.311 nan 8.150 nan 0.000 0.444 510 A N -1.045 121.778 122.820 0.005 0.000 2.024 510 A HA -0.090 4.231 4.320 0.000 0.000 0.220 510 A C 2.425 180.012 177.584 0.004 0.000 1.164 510 A CA 2.191 54.231 52.037 0.005 0.000 0.643 510 A CB -0.826 18.177 19.000 0.005 0.000 0.806 510 A HN 0.574 nan 8.150 nan 0.000 0.451 511 S N -0.540 115.163 115.700 0.004 0.000 2.345 511 S HA -0.095 4.375 4.470 0.000 0.000 0.220 511 S C 1.897 176.498 174.600 0.003 0.000 1.031 511 S CA 1.405 59.608 58.200 0.004 0.000 0.996 511 S CB -0.319 62.883 63.200 0.004 0.000 0.882 511 S HN 0.402 nan 8.310 nan 0.000 0.445 512 I N 1.686 122.257 120.570 0.003 0.000 2.233 512 I HA -0.002 4.168 4.170 0.000 0.000 0.243 512 I C 2.741 178.859 176.117 0.002 0.000 1.093 512 I CA 1.292 62.593 61.300 0.002 0.000 1.380 512 I CB -2.209 35.792 38.000 0.002 0.000 1.067 512 I HN 0.433 nan 8.210 nan 0.000 0.413 513 G N 1.392 110.194 108.800 0.003 0.000 2.672 513 G HA2 -0.345 3.615 3.960 0.000 0.000 0.218 513 G HA3 -0.345 3.615 3.960 0.000 0.000 0.218 513 G C 1.859 176.761 174.900 0.003 0.000 1.238 513 G CA 1.737 46.839 45.100 0.003 0.000 0.791 513 G HN 0.484 nan 8.290 nan 0.000 0.606 514 A N 0.190 123.012 122.820 0.003 0.000 1.948 514 A HA -0.047 4.273 4.320 0.000 0.000 0.220 514 A C 2.446 180.032 177.584 0.003 0.000 1.177 514 A CA 1.721 53.760 52.037 0.004 0.000 0.636 514 A CB -0.438 18.565 19.000 0.004 0.000 0.815 514 A HN 0.332 nan 8.150 nan 0.000 0.449 515 L N -0.294 120.930 121.223 0.002 0.000 1.971 515 L HA -0.218 4.122 4.340 0.000 0.000 0.215 515 L C 2.588 179.458 176.870 -0.001 0.000 1.072 515 L CA 2.077 56.917 54.840 -0.000 0.000 0.758 515 L CB -1.293 40.765 42.059 -0.001 0.000 0.889 515 L HN 0.456 nan 8.230 nan 0.000 0.433 516 I N -0.072 120.497 120.570 -0.001 0.000 2.113 516 I HA -0.390 3.780 4.170 0.000 0.000 0.242 516 I C 2.428 178.545 176.117 0.001 0.000 1.064 516 I CA 1.323 62.622 61.300 -0.001 0.000 1.320 516 I CB -0.427 37.573 38.000 -0.000 0.000 1.028 516 I HN 0.264 nan 8.210 nan 0.000 0.406 517 L N 0.439 121.664 121.223 0.003 0.000 2.450 517 L HA -0.189 4.151 4.340 0.000 0.000 0.225 517 L C 2.179 179.053 176.870 0.006 0.000 1.145 517 L CA 1.649 56.492 54.840 0.005 0.000 0.801 517 L CB -1.381 40.682 42.059 0.006 0.000 0.924 517 L HN 0.501 nan 8.230 nan 0.000 0.447 518 T N -5.262 109.294 114.554 0.004 0.000 3.163 518 T HA 0.084 4.434 4.350 0.000 0.000 0.252 518 T C 0.718 175.419 174.700 0.002 0.000 1.056 518 T CA -0.327 61.776 62.100 0.004 0.000 0.947 518 T CB -0.351 68.519 68.868 0.003 0.000 1.016 518 T HN 0.055 nan 8.240 nan 0.000 0.554 519 T N 2.499 117.052 114.554 -0.001 0.000 2.907 519 T HA 0.353 4.703 4.350 0.000 0.000 0.298 519 T C 0.588 175.287 174.700 -0.000 0.000 1.017 519 T CA -0.260 61.834 62.100 -0.010 0.000 1.118 519 T CB 1.488 70.347 68.868 -0.015 0.000 0.948 519 T HN 0.281 nan 8.240 nan 0.000 0.531 520 E N 0.379 120.574 120.200 -0.009 0.000 2.712 520 E HA 0.474 4.824 4.350 0.000 0.000 0.221 520 E C -0.292 176.299 176.600 -0.015 0.000 0.943 520 E CA -0.069 56.347 56.400 0.026 0.000 1.259 520 E CB 0.692 30.423 29.700 0.052 0.000 1.167 520 E HN 0.805 nan 8.360 nan 0.000 0.569 521 A N -0.629 122.115 122.820 -0.127 0.000 2.601 521 A HA 0.730 5.051 4.320 0.000 0.000 0.291 521 A C -1.610 175.820 177.584 -0.257 0.000 1.075 521 A CA -0.448 51.378 52.037 -0.352 0.000 0.671 521 A CB 1.573 20.255 19.000 -0.530 0.000 1.277 521 A HN 0.041 nan 8.150 nan 0.000 0.417 522 V N 0.204 119.932 119.914 -0.310 0.000 2.851 522 V HA 0.549 4.669 4.120 0.000 0.000 0.307 522 V C -1.069 174.911 176.094 -0.189 0.000 1.129 522 V CA -0.527 61.664 62.300 -0.182 0.000 0.932 522 V CB 2.095 33.851 31.823 -0.111 0.000 1.024 522 V HN 0.917 nan 8.190 nan 0.000 0.426 523 V N 3.771 123.606 119.914 -0.131 0.000 2.325 523 V HA 0.860 4.980 4.120 0.000 0.000 0.280 523 V C 0.323 176.368 176.094 -0.082 0.000 1.016 523 V CA -0.058 62.176 62.300 -0.110 0.000 0.818 523 V CB 1.095 32.861 31.823 -0.095 0.000 1.019 523 V HN 1.056 nan 8.190 nan 0.000 0.434 524 A N 3.876 126.646 122.820 -0.085 0.000 2.392 524 A HA 0.900 5.220 4.320 0.000 0.000 0.283 524 A C -0.333 177.144 177.584 -0.178 0.000 1.197 524 A CA -0.723 51.255 52.037 -0.100 0.000 0.895 524 A CB 0.952 19.921 19.000 -0.051 0.000 1.400 524 A HN 0.548 nan 8.150 nan 0.000 0.461 525 E N 1.214 121.200 120.200 -0.358 0.000 2.316 525 E HA 0.141 4.491 4.350 0.000 0.000 0.275 525 E C -0.456 175.859 176.600 -0.476 0.000 1.029 525 E CA -0.134 55.978 56.400 -0.479 0.000 0.871 525 E CB 1.005 30.289 29.700 -0.693 0.000 1.022 525 E HN 0.481 nan 8.360 nan 0.000 0.418 526 K N 4.977 125.241 120.400 -0.227 0.000 2.451 526 K HA 0.067 4.387 4.320 0.000 0.000 0.280 526 K C -2.036 174.519 176.600 -0.076 0.000 1.020 526 K CA -1.211 55.008 56.287 -0.114 0.000 1.008 526 K CB 0.339 32.804 32.500 -0.058 0.000 0.917 526 K HN 0.207 nan 8.250 nan 0.000 0.478 527 P HA -0.069 nan 4.420 nan 0.000 0.269 527 P C -0.938 176.396 177.300 0.056 0.000 1.211 527 P CA 0.297 63.457 63.100 0.100 0.000 0.781 527 P CB 0.693 32.447 31.700 0.091 0.000 0.877 528 E N 0.000 120.243 120.200 0.071 0.000 2.725 528 E HA 0.000 4.350 4.350 0.000 0.000 0.291 528 E CA 0.000 56.425 56.400 0.043 0.000 0.976 528 E CB 0.000 29.729 29.700 0.048 0.000 0.812 528 E HN 0.000 nan 8.360 nan 0.000 0.440