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 2ipi_1_A DATA FIRST_RESID 10 DATA SEQUENCE ALVKVDRVDR RYQDLVTRGF NGRFRGRPDV VYVVHTADQV VDAVNQAMAA DATA SEQUENCE GQRIAVRSGG HCFEGFVDDP AVRAVIDMSQ MRQVFYDSGK RAFAVEPGAT DATA SEQUENCE LGETYRALYL DWGVTIPAGV CPQVGVGGHV LGGGYGPLSR RDGVVADHLY DATA SEQUENCE AVEVVVVDAS GRARKVVATS AADDPNRELW WAHTGGGGGN FGIVTRYWFR DATA SEQUENCE TPGATGTDPS QLLPKAPTST LRHIVTWDWS ALTEEAFTRI IDNHGAWHQS DATA SEQUENCE NSAAGTPYAS MHSVFYLNSR AAGQILLDIQ IDGGLDGAEA LLNDFVAAVN DATA SEQUENCE EGTGVEPAVQ RSTEPWLRAT LANKFDTGGF DRTKSKGAYL RKPWTAAQAA DATA SEQUENCE TLYRHLSADS QVWGEVSLYS YGGKVNSVPE TATATAQRDS IIKVWMSATW DATA SEQUENCE MDPAHDDANL AWIREIYREI FATTGGVPVP DDRTEGTFIN YPDVDLVDER DATA SEQUENCE WNTSGVPWYT LYYKGNYPRL QKVKARWDPR DVFRHALSVR PP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.353 177.584 -0.386 0.000 1.274 10 A CA 0.000 51.797 52.037 -0.401 0.000 0.836 10 A CB 0.000 18.639 19.000 -0.602 0.000 0.831 11 L N 1.458 122.582 121.223 -0.165 0.000 2.476 11 L HA 0.381 4.721 4.340 -0.000 0.000 0.264 11 L C 1.239 178.173 176.870 0.107 0.000 1.224 11 L CA -0.416 54.417 54.840 -0.011 0.000 0.821 11 L CB 0.747 42.814 42.059 0.013 0.000 1.101 11 L HN 0.886 nan 8.230 nan 0.000 0.488 12 V N 0.617 120.638 119.914 0.178 0.000 2.788 12 V HA 0.063 4.183 4.120 -0.000 0.000 0.307 12 V C 0.059 176.296 176.094 0.239 0.000 1.069 12 V CA -0.215 62.237 62.300 0.254 0.000 1.173 12 V CB 0.280 32.211 31.823 0.180 0.000 0.925 12 V HN 0.614 nan 8.190 nan 0.000 0.492 13 K N 4.333 124.901 120.400 0.280 0.000 2.164 13 K HA 0.678 4.998 4.320 -0.000 0.000 0.258 13 K C -1.241 175.471 176.600 0.186 0.000 0.951 13 K CA -0.698 55.715 56.287 0.210 0.000 0.844 13 K CB 2.155 34.781 32.500 0.210 0.000 1.099 13 K HN 0.675 nan 8.250 nan 0.000 0.435 14 V N 2.520 122.498 119.914 0.107 0.000 2.407 14 V HA 0.147 4.267 4.120 -0.000 0.000 0.291 14 V C -0.563 175.507 176.094 -0.041 0.000 1.018 14 V CA -0.805 61.482 62.300 -0.022 0.000 0.842 14 V CB 1.633 33.454 31.823 -0.002 0.000 0.996 14 V HN 0.659 nan 8.190 nan 0.000 0.426 15 D N 4.403 124.757 120.400 -0.077 0.000 2.454 15 D HA 0.330 4.970 4.640 -0.000 0.000 0.225 15 D C 0.773 177.103 176.300 0.050 0.000 1.081 15 D CA -0.243 53.763 54.000 0.011 0.000 0.864 15 D CB 1.462 42.283 40.800 0.035 0.000 1.040 15 D HN 0.732 nan 8.370 nan 0.000 0.517 16 R N 1.550 122.067 120.500 0.029 0.000 2.125 16 R HA 0.090 4.430 4.340 -0.000 0.000 0.195 16 R C 1.126 177.364 176.300 -0.105 0.000 1.138 16 R CA 0.179 56.273 56.100 -0.009 0.000 1.123 16 R CB 0.034 30.309 30.300 -0.043 0.000 1.049 16 R HN 0.140 nan 8.270 nan 0.000 0.503 17 V N -0.144 119.707 119.914 -0.105 0.000 3.111 17 V HA 0.282 4.402 4.120 -0.000 0.000 0.343 17 V C -0.566 175.480 176.094 -0.080 0.000 1.417 17 V CA -0.509 61.683 62.300 -0.180 0.000 1.142 17 V CB 0.032 31.760 31.823 -0.159 0.000 1.114 17 V HN 0.246 nan 8.190 nan 0.000 0.520 18 D N 1.305 121.697 120.400 -0.012 0.000 2.378 18 D HA 0.112 4.752 4.640 -0.000 0.000 0.238 18 D C 1.369 177.704 176.300 0.058 0.000 1.180 18 D CA 0.260 54.279 54.000 0.031 0.000 0.895 18 D CB 1.091 41.922 40.800 0.052 0.000 1.192 18 D HN 0.365 nan 8.370 nan 0.000 0.438 19 R N 1.076 121.605 120.500 0.048 0.000 2.237 19 R HA 0.041 4.381 4.340 -0.000 0.000 0.219 19 R C 1.632 177.977 176.300 0.074 0.000 1.080 19 R CA 0.800 56.932 56.100 0.053 0.000 0.995 19 R CB -0.056 30.265 30.300 0.036 0.000 0.875 19 R HN 0.336 nan 8.270 nan 0.000 0.462 20 R N -0.655 119.894 120.500 0.082 0.000 2.313 20 R HA -0.005 4.335 4.340 -0.000 0.000 0.199 20 R C 1.056 177.408 176.300 0.086 0.000 0.958 20 R CA 0.289 56.431 56.100 0.070 0.000 1.047 20 R CB -0.092 30.241 30.300 0.055 0.000 0.955 20 R HN 0.280 nan 8.270 nan 0.000 0.481 21 Y N 1.655 121.952 120.300 -0.004 0.000 2.089 21 Y HA -0.319 4.231 4.550 -0.000 0.000 0.282 21 Y C 2.407 178.306 175.900 -0.003 0.000 1.139 21 Y CA 1.702 59.798 58.100 -0.007 0.000 1.123 21 Y CB 0.098 38.551 38.460 -0.010 0.000 0.980 21 Y HN -0.065 nan 8.280 nan 0.000 0.493 22 Q N 0.714 120.596 119.800 0.137 0.000 2.112 22 Q HA -0.232 4.108 4.340 -0.000 0.000 0.206 22 Q C 1.850 177.826 176.000 -0.040 0.000 0.987 22 Q CA 2.144 57.972 55.803 0.041 0.000 0.858 22 Q CB -0.571 28.212 28.738 0.074 0.000 0.905 22 Q HN 0.535 nan 8.270 nan 0.000 0.420 23 D N -1.135 119.253 120.400 -0.019 0.000 2.144 23 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 23 D C 1.500 177.763 176.300 -0.061 0.000 0.984 23 D CA 0.782 54.766 54.000 -0.027 0.000 0.834 23 D CB 0.206 41.004 40.800 -0.005 0.000 0.955 23 D HN 0.184 nan 8.370 nan 0.000 0.465 24 L N 0.307 121.466 121.223 -0.107 0.000 2.131 24 L HA -0.033 4.307 4.340 -0.000 0.000 0.206 24 L C 2.348 179.117 176.870 -0.167 0.000 1.087 24 L CA 0.744 55.509 54.840 -0.125 0.000 0.767 24 L CB -1.043 40.934 42.059 -0.136 0.000 0.917 24 L HN -0.074 nan 8.230 nan 0.000 0.441 25 V N -0.300 119.445 119.914 -0.282 0.000 3.141 25 V HA -0.103 4.017 4.120 -0.000 0.000 0.265 25 V C 1.584 177.603 176.094 -0.124 0.000 1.126 25 V CA 1.679 63.820 62.300 -0.265 0.000 1.141 25 V CB -0.449 31.103 31.823 -0.451 0.000 0.743 25 V HN 0.688 nan 8.190 nan 0.000 0.492 26 T N -3.792 110.706 114.554 -0.093 0.000 3.293 26 T HA 0.295 4.645 4.350 -0.000 0.000 0.276 26 T C 1.257 175.935 174.700 -0.037 0.000 1.003 26 T CA -0.348 61.722 62.100 -0.051 0.000 0.916 26 T CB -0.062 68.781 68.868 -0.042 0.000 1.134 26 T HN 0.388 nan 8.240 nan 0.000 0.530 27 R N 0.654 121.132 120.500 -0.036 0.000 2.240 27 R HA 0.212 4.552 4.340 -0.000 0.000 0.203 27 R C 1.511 177.805 176.300 -0.011 0.000 1.011 27 R CA 0.176 56.264 56.100 -0.020 0.000 1.007 27 R CB -0.138 30.148 30.300 -0.022 0.000 0.911 27 R HN 0.575 nan 8.270 nan 0.000 0.468 28 G N -0.105 108.690 108.800 -0.008 0.000 2.562 28 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.233 28 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.233 28 G C 0.214 175.125 174.900 0.019 0.000 1.266 28 G CA -0.344 44.761 45.100 0.008 0.000 0.852 28 G HN 0.264 nan 8.290 nan 0.000 0.581 29 F N 0.968 120.809 119.950 -0.182 0.000 2.335 29 F HA 0.125 4.652 4.527 -0.000 0.000 0.296 29 F C 1.332 177.079 175.800 -0.089 0.000 1.091 29 F CA 0.160 58.017 58.000 -0.239 0.000 1.399 29 F CB 0.338 39.034 39.000 -0.507 0.000 1.067 29 F HN 0.468 nan 8.300 nan 0.000 0.520 30 N N 0.112 118.720 118.700 -0.153 0.000 2.462 30 N HA 0.188 4.928 4.740 -0.000 0.000 0.242 30 N C 1.015 176.439 175.510 -0.144 0.000 1.010 30 N CA 0.145 53.086 53.050 -0.181 0.000 0.939 30 N CB 1.191 39.746 38.487 0.114 0.000 1.127 30 N HN 0.272 nan 8.380 nan 0.000 0.509 31 G N 2.544 111.179 108.800 -0.275 0.000 2.498 31 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 31 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 31 G C 1.455 176.196 174.900 -0.266 0.000 1.119 31 G CA 0.390 45.345 45.100 -0.242 0.000 0.766 31 G HN 0.606 nan 8.290 nan 0.000 0.552 32 R N -0.876 119.381 120.500 -0.406 0.000 2.120 32 R HA -0.000 4.340 4.340 -0.000 0.000 0.234 32 R C -0.176 175.751 176.300 -0.620 0.000 1.123 32 R CA 0.592 56.317 56.100 -0.625 0.000 0.975 32 R CB -0.128 29.550 30.300 -1.037 0.000 0.866 32 R HN 0.415 nan 8.270 nan 0.000 0.446 33 F N 0.176 120.090 119.950 -0.059 0.000 2.477 33 F HA 0.466 4.993 4.527 -0.000 0.000 0.335 33 F C 0.085 175.868 175.800 -0.029 0.000 1.130 33 F CA -1.056 56.931 58.000 -0.023 0.000 0.948 33 F CB 1.354 40.352 39.000 -0.004 0.000 1.154 33 F HN -0.376 nan 8.300 nan 0.000 0.439 34 R N 1.641 122.224 120.500 0.139 0.000 2.532 34 R HA 0.473 4.813 4.340 -0.000 0.000 0.297 34 R C 0.037 176.380 176.300 0.072 0.000 0.984 34 R CA -0.842 55.300 56.100 0.070 0.000 0.884 34 R CB 1.999 32.314 30.300 0.024 0.000 1.182 34 R HN 0.860 nan 8.270 nan 0.000 0.442 35 G N 1.210 110.035 108.800 0.042 0.000 2.594 35 G HA2 0.192 4.152 3.960 -0.000 0.000 0.243 35 G HA3 0.192 4.152 3.960 -0.000 0.000 0.243 35 G C -0.029 174.904 174.900 0.055 0.000 1.229 35 G CA -0.420 44.703 45.100 0.038 0.000 0.843 35 G HN 0.457 nan 8.290 nan 0.000 0.578 36 R N 1.143 121.695 120.500 0.087 0.000 2.647 36 R HA 0.193 4.533 4.340 -0.000 0.000 0.295 36 R C -2.490 173.908 176.300 0.164 0.000 1.267 36 R CA -0.972 55.220 56.100 0.153 0.000 1.386 36 R CB 1.609 31.984 30.300 0.126 0.000 1.309 36 R HN 0.456 nan 8.270 nan 0.000 0.692 37 P HA 0.150 nan 4.420 nan 0.000 0.276 37 P C -0.198 177.207 177.300 0.175 0.000 1.252 37 P CA -0.279 62.898 63.100 0.127 0.000 0.802 37 P CB 1.068 32.816 31.700 0.080 0.000 1.035 38 D N -0.839 119.621 120.400 0.101 0.000 2.178 38 D HA -0.023 4.617 4.640 -0.000 0.000 0.201 38 D C 0.619 176.967 176.300 0.080 0.000 0.980 38 D CA 1.232 55.273 54.000 0.068 0.000 0.842 38 D CB 0.066 40.885 40.800 0.031 0.000 0.948 38 D HN 0.091 nan 8.370 nan 0.000 0.472 39 V N -0.191 119.758 119.914 0.060 0.000 3.120 39 V HA 0.369 4.489 4.120 -0.000 0.000 0.303 39 V C -1.682 174.362 176.094 -0.084 0.000 1.238 39 V CA -0.800 61.472 62.300 -0.047 0.000 1.008 39 V CB 2.671 34.346 31.823 -0.247 0.000 1.064 39 V HN -0.215 nan 8.190 nan 0.000 0.434 40 V N 5.672 125.510 119.914 -0.126 0.000 2.487 40 V HA 0.523 4.643 4.120 -0.000 0.000 0.298 40 V C -1.266 174.732 176.094 -0.161 0.000 1.028 40 V CA -0.711 61.524 62.300 -0.108 0.000 0.860 40 V CB 1.512 33.291 31.823 -0.073 0.000 0.991 40 V HN 0.780 nan 8.190 nan 0.000 0.427 41 Y N 2.880 123.202 120.300 0.037 0.000 2.341 41 Y HA 0.500 5.050 4.550 -0.000 0.000 0.340 41 Y C 0.282 176.183 175.900 0.003 0.000 0.997 41 Y CA -0.661 57.460 58.100 0.034 0.000 1.149 41 Y CB 1.739 40.223 38.460 0.040 0.000 1.171 41 Y HN 0.402 nan 8.280 nan 0.000 0.494 42 V N 5.955 125.951 119.914 0.137 0.000 2.304 42 V HA 0.233 4.353 4.120 -0.000 0.000 0.269 42 V C -0.080 175.923 176.094 -0.152 0.000 1.036 42 V CA -0.861 61.435 62.300 -0.006 0.000 0.840 42 V CB 0.250 32.072 31.823 -0.001 0.000 1.036 42 V HN 0.609 nan 8.190 nan 0.000 0.466 43 V N 2.087 121.887 119.914 -0.189 0.000 2.785 43 V HA 0.518 4.638 4.120 -0.000 0.000 0.300 43 V C 0.438 176.257 176.094 -0.457 0.000 1.062 43 V CA -0.029 62.156 62.300 -0.191 0.000 1.029 43 V CB 0.948 32.745 31.823 -0.043 0.000 1.024 43 V HN 0.851 nan 8.190 nan 0.000 0.477 44 H N 0.855 119.958 119.070 0.056 0.000 3.622 44 H HA 0.349 4.905 4.556 -0.000 0.000 0.259 44 H C 0.622 175.979 175.328 0.048 0.000 1.145 44 H CA 0.691 56.770 56.048 0.052 0.000 1.178 44 H CB 0.842 30.634 29.762 0.049 0.000 1.542 44 H HN 0.994 nan 8.280 nan 0.000 0.586 45 T N -3.188 111.448 114.554 0.137 0.000 2.821 45 T HA 0.615 4.965 4.350 -0.000 0.000 0.306 45 T C 1.129 175.866 174.700 0.062 0.000 1.313 45 T CA -0.381 61.776 62.100 0.096 0.000 1.012 45 T CB 1.726 70.649 68.868 0.093 0.000 1.298 45 T HN 0.015 nan 8.240 nan 0.000 0.502 46 A N 0.932 123.784 122.820 0.052 0.000 1.908 46 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 46 A C 1.819 179.423 177.584 0.034 0.000 1.181 46 A CA 2.078 54.136 52.037 0.035 0.000 0.627 46 A CB -1.105 17.916 19.000 0.035 0.000 0.818 46 A HN 0.897 nan 8.150 nan 0.000 0.445 47 D N -0.300 120.125 120.400 0.041 0.000 2.178 47 D HA -0.155 4.485 4.640 -0.000 0.000 0.201 47 D C 2.104 178.420 176.300 0.028 0.000 0.980 47 D CA 1.400 55.420 54.000 0.034 0.000 0.842 47 D CB -0.440 40.382 40.800 0.037 0.000 0.948 47 D HN 0.665 nan 8.370 nan 0.000 0.472 48 Q N 0.238 120.062 119.800 0.040 0.000 2.167 48 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 48 Q C 2.398 178.395 176.000 -0.004 0.000 0.970 48 Q CA 0.640 56.464 55.803 0.035 0.000 0.855 48 Q CB 0.167 28.956 28.738 0.085 0.000 0.911 48 Q HN 0.181 nan 8.270 nan 0.000 0.438 49 V N 0.260 120.178 119.914 0.006 0.000 2.358 49 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 49 V C 2.264 178.352 176.094 -0.010 0.000 1.047 49 V CA 1.258 63.555 62.300 -0.004 0.000 1.035 49 V CB -0.490 31.340 31.823 0.012 0.000 0.658 49 V HN 0.161 nan 8.190 nan 0.000 0.452 50 V N 1.024 120.941 119.914 0.005 0.000 2.282 50 V HA -0.325 3.795 4.120 -0.000 0.000 0.249 50 V C 2.480 178.560 176.094 -0.022 0.000 1.057 50 V CA 2.526 64.833 62.300 0.010 0.000 1.032 50 V CB -0.715 31.120 31.823 0.021 0.000 0.645 50 V HN 0.720 nan 8.190 nan 0.000 0.447 51 D N 0.435 120.809 120.400 -0.043 0.000 2.097 51 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 51 D C 2.125 178.317 176.300 -0.181 0.000 0.989 51 D CA 1.917 55.872 54.000 -0.075 0.000 0.827 51 D CB -0.224 40.547 40.800 -0.049 0.000 0.966 51 D HN 0.359 nan 8.370 nan 0.000 0.456 52 A N 0.221 122.867 122.820 -0.289 0.000 1.883 52 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 52 A C 2.694 180.053 177.584 -0.376 0.000 1.186 52 A CA 2.006 53.657 52.037 -0.642 0.000 0.624 52 A CB -0.945 17.696 19.000 -0.598 0.000 0.822 52 A HN 0.221 nan 8.150 nan 0.000 0.444 53 V N 1.098 120.928 119.914 -0.140 0.000 2.287 53 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 53 V C 2.306 178.377 176.094 -0.038 0.000 1.053 53 V CA 2.194 64.478 62.300 -0.026 0.000 1.027 53 V CB -1.019 30.848 31.823 0.073 0.000 0.646 53 V HN 0.562 nan 8.190 nan 0.000 0.447 54 N N -0.056 118.618 118.700 -0.044 0.000 2.166 54 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 54 N C 1.948 177.442 175.510 -0.026 0.000 1.019 54 N CA 1.343 54.379 53.050 -0.025 0.000 0.856 54 N CB -0.295 38.183 38.487 -0.016 0.000 0.993 54 N HN 0.609 nan 8.380 nan 0.000 0.426 55 Q N 0.190 119.954 119.800 -0.060 0.000 2.119 55 Q HA 0.059 4.399 4.340 -0.000 0.000 0.201 55 Q C 1.968 178.004 176.000 0.060 0.000 0.972 55 Q CA 1.252 57.056 55.803 0.000 0.000 0.847 55 Q CB -0.052 28.681 28.738 -0.008 0.000 0.903 55 Q HN 0.377 nan 8.270 nan 0.000 0.433 56 A N 0.634 123.485 122.820 0.051 0.000 1.929 56 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 56 A C 2.030 179.638 177.584 0.039 0.000 1.176 56 A CA 0.945 53.041 52.037 0.100 0.000 0.628 56 A CB -0.344 18.729 19.000 0.122 0.000 0.816 56 A HN 0.249 nan 8.150 nan 0.000 0.444 57 M N -0.403 119.200 119.600 0.004 0.000 2.132 57 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 57 M C 2.447 178.748 176.300 0.001 0.000 1.065 57 M CA 1.422 56.713 55.300 -0.014 0.000 1.122 57 M CB -0.444 32.138 32.600 -0.030 0.000 1.365 57 M HN 0.432 nan 8.290 nan 0.000 0.411 58 A N 0.219 123.046 122.820 0.012 0.000 2.125 58 A HA 0.067 4.387 4.320 -0.000 0.000 0.219 58 A C 2.125 179.724 177.584 0.025 0.000 1.156 58 A CA 1.736 53.783 52.037 0.017 0.000 0.671 58 A CB -0.616 18.396 19.000 0.021 0.000 0.794 58 A HN 0.522 nan 8.150 nan 0.000 0.459 59 A N -1.967 120.875 122.820 0.037 0.000 2.348 59 A HA 0.457 4.777 4.320 -0.000 0.000 0.224 59 A C 1.632 179.234 177.584 0.030 0.000 1.227 59 A CA 0.972 53.034 52.037 0.041 0.000 0.885 59 A CB -0.693 18.347 19.000 0.066 0.000 0.933 59 A HN 1.765 nan 8.150 nan 0.000 0.506 60 G N -0.014 108.798 108.800 0.019 0.000 2.283 60 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.280 60 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.280 60 G C -0.023 174.884 174.900 0.012 0.000 1.029 60 G CA 0.500 45.604 45.100 0.006 0.000 0.840 60 G HN 0.658 nan 8.290 nan 0.000 0.505 61 Q N -0.411 119.405 119.800 0.028 0.000 2.307 61 Q HA 0.282 4.622 4.340 -0.000 0.000 0.259 61 Q C 0.922 176.935 176.000 0.023 0.000 0.998 61 Q CA -0.505 55.322 55.803 0.040 0.000 0.923 61 Q CB 0.855 29.639 28.738 0.077 0.000 1.196 61 Q HN 0.466 nan 8.270 nan 0.000 0.416 62 R N 3.927 124.436 120.500 0.014 0.000 2.449 62 R HA 0.116 4.456 4.340 -0.000 0.000 0.296 62 R C -0.718 175.593 176.300 0.019 0.000 1.047 62 R CA 0.030 56.127 56.100 -0.004 0.000 1.018 62 R CB 0.253 30.552 30.300 -0.002 0.000 0.962 62 R HN 0.591 nan 8.270 nan 0.000 0.428 63 I N 3.232 123.800 120.570 -0.003 0.000 2.499 63 I HA 0.361 4.531 4.170 -0.000 0.000 0.296 63 I C 0.080 176.260 176.117 0.105 0.000 0.992 63 I CA -0.290 61.043 61.300 0.056 0.000 1.297 63 I CB 1.755 39.770 38.000 0.026 0.000 1.410 63 I HN 0.731 nan 8.210 nan 0.000 0.507 64 A N 5.354 128.255 122.820 0.136 0.000 2.486 64 A HA 0.762 5.082 4.320 -0.000 0.000 0.300 64 A C -1.183 176.491 177.584 0.150 0.000 1.048 64 A CA -0.508 51.620 52.037 0.151 0.000 0.696 64 A CB 1.617 20.685 19.000 0.113 0.000 1.278 64 A HN 0.369 nan 8.150 nan 0.000 0.405 65 V N 1.441 121.446 119.914 0.151 0.000 2.435 65 V HA 0.673 4.793 4.120 -0.000 0.000 0.290 65 V C 0.252 176.397 176.094 0.085 0.000 1.030 65 V CA -0.632 61.739 62.300 0.117 0.000 0.881 65 V CB 1.412 33.301 31.823 0.110 0.000 0.983 65 V HN 0.959 nan 8.190 nan 0.000 0.445 66 R N 2.747 123.286 120.500 0.065 0.000 2.387 66 R HA 0.618 4.958 4.340 -0.000 0.000 0.314 66 R C -0.006 176.318 176.300 0.041 0.000 0.958 66 R CA -0.183 55.943 56.100 0.044 0.000 0.846 66 R CB 1.921 32.237 30.300 0.027 0.000 1.147 66 R HN 0.768 nan 8.270 nan 0.000 0.447 67 S N 2.026 117.751 115.700 0.041 0.000 2.942 67 S HA 0.165 4.635 4.470 -0.000 0.000 0.220 67 S C 1.265 175.881 174.600 0.027 0.000 0.945 67 S CA 0.359 58.583 58.200 0.039 0.000 0.851 67 S CB 0.412 63.647 63.200 0.058 0.000 0.820 67 S HN 0.811 nan 8.310 nan 0.000 0.624 68 G N -0.183 108.634 108.800 0.028 0.000 2.719 68 G HA2 0.401 4.361 3.960 -0.000 0.000 0.211 68 G HA3 0.401 4.361 3.960 -0.000 0.000 0.211 68 G C 0.958 175.899 174.900 0.069 0.000 1.140 68 G CA 0.474 45.598 45.100 0.041 0.000 0.790 68 G HN 0.986 nan 8.290 nan 0.000 0.529 69 G N -0.116 108.702 108.800 0.029 0.000 2.160 69 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.251 69 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.251 69 G C 0.714 175.577 174.900 -0.061 0.000 1.008 69 G CA 0.573 45.668 45.100 -0.009 0.000 0.724 69 G HN 0.586 nan 8.290 nan 0.000 0.514 70 H N -1.180 117.820 119.070 -0.116 0.000 2.529 70 H HA 0.147 4.703 4.556 -0.000 0.000 0.277 70 H C 1.593 176.757 175.328 -0.274 0.000 1.004 70 H CA 0.240 56.169 56.048 -0.197 0.000 1.167 70 H CB 0.214 29.733 29.762 -0.404 0.000 1.445 70 H HN 0.440 nan 8.280 nan 0.000 0.554 71 C N 2.030 121.249 119.300 -0.135 0.000 2.250 71 C HA -0.159 4.301 4.460 -0.000 0.000 0.405 71 C C 1.880 176.773 174.990 -0.162 0.000 1.516 71 C CA 0.213 59.100 59.018 -0.218 0.000 1.412 71 C CB -2.315 25.299 27.740 -0.210 0.000 2.534 71 C HN 0.475 nan 8.230 nan 0.000 0.621 72 F N 1.639 121.579 119.950 -0.017 0.000 2.269 72 F HA -0.084 4.443 4.527 -0.000 0.000 0.301 72 F C 2.288 178.045 175.800 -0.072 0.000 1.082 72 F CA 1.031 59.075 58.000 0.073 0.000 1.360 72 F CB 0.081 39.193 39.000 0.186 0.000 1.041 72 F HN 0.634 nan 8.300 nan 0.000 0.512 73 E N -0.147 119.875 120.200 -0.297 0.000 2.476 73 E HA 0.116 4.466 4.350 -0.000 0.000 0.196 73 E C 1.512 177.392 176.600 -1.200 0.000 1.029 73 E CA 0.531 56.525 56.400 -0.678 0.000 0.896 73 E CB 0.289 29.370 29.700 -1.031 0.000 1.012 73 E HN 0.339 nan 8.360 nan 0.000 0.475 74 G N 1.654 110.006 108.800 -0.748 0.000 2.321 74 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.287 74 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.287 74 G C 0.805 175.437 174.900 -0.448 0.000 1.018 74 G CA 0.616 45.370 45.100 -0.577 0.000 0.855 74 G HN 0.407 nan 8.290 nan 0.000 0.507 75 F N -0.702 119.018 119.950 -0.383 0.000 2.115 75 F HA -0.240 4.287 4.527 -0.000 0.000 0.300 75 F C 2.761 178.475 175.800 -0.143 0.000 1.092 75 F CA 1.190 59.029 58.000 -0.267 0.000 1.245 75 F CB -0.300 38.506 39.000 -0.323 0.000 0.995 75 F HN 0.259 nan 8.300 nan 0.000 0.481 76 V N -0.504 119.457 119.914 0.079 0.000 2.490 76 V HA -0.272 3.848 4.120 -0.000 0.000 0.250 76 V C 1.138 177.262 176.094 0.051 0.000 1.061 76 V CA 1.780 64.119 62.300 0.064 0.000 1.064 76 V CB -0.452 31.396 31.823 0.043 0.000 0.670 76 V HN 0.299 nan 8.190 nan 0.000 0.461 77 D N -0.242 120.180 120.400 0.038 0.000 2.336 77 D HA 0.037 4.677 4.640 -0.000 0.000 0.228 77 D C 0.649 177.001 176.300 0.088 0.000 1.120 77 D CA 0.055 54.092 54.000 0.062 0.000 0.839 77 D CB -0.033 40.825 40.800 0.097 0.000 0.932 77 D HN 0.460 nan 8.370 nan 0.000 0.509 78 D N 1.526 121.970 120.400 0.073 0.000 2.443 78 D HA -0.017 4.623 4.640 -0.000 0.000 0.239 78 D C -1.584 174.765 176.300 0.083 0.000 1.136 78 D CA -1.382 52.670 54.000 0.086 0.000 0.879 78 D CB 2.127 42.970 40.800 0.070 0.000 1.195 78 D HN -0.073 nan 8.370 nan 0.000 0.443 79 P HA -0.012 nan 4.420 nan 0.000 0.230 79 P C 0.544 177.880 177.300 0.061 0.000 1.158 79 P CA 0.614 63.760 63.100 0.077 0.000 0.769 79 P CB 0.196 31.942 31.700 0.077 0.000 0.807 80 A N -0.875 121.977 122.820 0.053 0.000 2.169 80 A HA 0.059 4.379 4.320 -0.000 0.000 0.212 80 A C 0.969 178.576 177.584 0.039 0.000 1.153 80 A CA 0.314 52.374 52.037 0.040 0.000 0.756 80 A CB -0.718 18.299 19.000 0.029 0.000 0.813 80 A HN 0.024 nan 8.150 nan 0.000 0.471 81 V N 1.232 121.176 119.914 0.049 0.000 2.555 81 V HA 0.148 4.268 4.120 -0.000 0.000 0.286 81 V C 1.134 177.263 176.094 0.057 0.000 1.044 81 V CA -0.070 62.261 62.300 0.052 0.000 1.026 81 V CB 0.886 32.745 31.823 0.060 0.000 0.981 81 V HN 0.443 nan 8.190 nan 0.000 0.480 82 R N 2.802 123.336 120.500 0.056 0.000 2.394 82 R HA 0.417 4.757 4.340 -0.000 0.000 0.220 82 R C 0.325 176.669 176.300 0.073 0.000 0.887 82 R CA 0.424 56.561 56.100 0.061 0.000 1.034 82 R CB 0.907 31.237 30.300 0.050 0.000 1.179 82 R HN 0.667 nan 8.270 nan 0.000 0.561 83 A N 1.287 124.158 122.820 0.085 0.000 2.335 83 A HA 0.554 4.874 4.320 -0.000 0.000 0.304 83 A C -0.925 176.734 177.584 0.125 0.000 1.118 83 A CA -0.579 51.532 52.037 0.124 0.000 0.757 83 A CB 1.705 20.808 19.000 0.171 0.000 1.188 83 A HN -0.041 nan 8.150 nan 0.000 0.460 84 V N 5.803 125.783 119.914 0.111 0.000 2.444 84 V HA 0.677 4.797 4.120 -0.000 0.000 0.294 84 V C -0.640 175.537 176.094 0.139 0.000 1.022 84 V CA -0.822 61.539 62.300 0.102 0.000 0.850 84 V CB 1.264 33.112 31.823 0.041 0.000 0.992 84 V HN 0.869 nan 8.190 nan 0.000 0.426 85 I N 3.341 124.002 120.570 0.153 0.000 2.312 85 I HA 0.578 4.748 4.170 -0.000 0.000 0.290 85 I C -0.672 175.499 176.117 0.090 0.000 1.008 85 I CA 0.004 61.396 61.300 0.154 0.000 1.226 85 I CB 1.311 39.401 38.000 0.150 0.000 1.371 85 I HN 0.568 nan 8.210 nan 0.000 0.468 86 D N 7.662 128.100 120.400 0.064 0.000 2.280 86 D HA 0.340 4.980 4.640 -0.000 0.000 0.236 86 D C 0.465 176.764 176.300 -0.001 0.000 1.082 86 D CA -0.419 53.596 54.000 0.026 0.000 0.834 86 D CB 1.637 42.441 40.800 0.008 0.000 1.100 86 D HN 0.562 nan 8.370 nan 0.000 0.486 87 M N 2.315 121.917 119.600 0.004 0.000 2.383 87 M HA -0.012 4.468 4.480 -0.000 0.000 0.247 87 M C 1.697 177.992 176.300 -0.009 0.000 1.117 87 M CA -0.032 55.264 55.300 -0.007 0.000 0.995 87 M CB -0.154 32.457 32.600 0.019 0.000 1.480 87 M HN 0.278 nan 8.290 nan 0.000 0.485 88 S N 0.183 115.878 115.700 -0.009 0.000 2.469 88 S HA -0.102 4.368 4.470 -0.000 0.000 0.238 88 S C 1.581 176.185 174.600 0.006 0.000 0.998 88 S CA 0.793 58.995 58.200 0.002 0.000 0.957 88 S CB -0.201 63.002 63.200 0.004 0.000 0.764 88 S HN 0.440 nan 8.310 nan 0.000 0.514 89 Q N 0.380 120.170 119.800 -0.017 0.000 2.451 89 Q HA 0.302 4.642 4.340 -0.000 0.000 0.206 89 Q C 0.125 176.153 176.000 0.046 0.000 0.947 89 Q CA 0.420 56.233 55.803 0.017 0.000 0.937 89 Q CB -0.134 28.592 28.738 -0.020 0.000 1.025 89 Q HN 0.676 nan 8.270 nan 0.000 0.511 90 M N 0.964 120.580 119.600 0.027 0.000 2.385 90 M HA 0.300 4.780 4.480 -0.000 0.000 0.346 90 M C -0.015 176.318 176.300 0.055 0.000 1.180 90 M CA 0.126 55.456 55.300 0.051 0.000 1.154 90 M CB 0.705 33.326 32.600 0.036 0.000 1.251 90 M HN -0.173 nan 8.290 nan 0.000 0.430 91 R N 0.545 121.085 120.500 0.067 0.000 2.615 91 R HA 0.236 4.576 4.340 -0.000 0.000 0.448 91 R C -0.495 175.855 176.300 0.083 0.000 1.009 91 R CA -0.369 55.767 56.100 0.059 0.000 1.111 91 R CB 0.649 30.975 30.300 0.044 0.000 1.461 91 R HN 0.602 nan 8.270 nan 0.000 0.587 92 Q N 1.300 121.168 119.800 0.114 0.000 2.337 92 Q HA 0.232 4.572 4.340 -0.000 0.000 0.270 92 Q C -0.449 175.653 176.000 0.170 0.000 1.002 92 Q CA 0.289 56.201 55.803 0.183 0.000 0.888 92 Q CB 1.587 30.476 28.738 0.252 0.000 1.222 92 Q HN -0.028 nan 8.270 nan 0.000 0.400 93 V N 4.189 124.248 119.914 0.241 0.000 2.623 93 V HA 0.666 4.786 4.120 -0.000 0.000 0.304 93 V C -0.760 175.576 176.094 0.403 0.000 1.054 93 V CA -0.873 61.537 62.300 0.183 0.000 0.882 93 V CB 0.758 32.680 31.823 0.166 0.000 1.002 93 V HN 0.752 nan 8.190 nan 0.000 0.424 94 F N 2.602 122.696 119.950 0.241 0.000 2.817 94 F HA 0.770 5.297 4.527 -0.000 0.000 0.317 94 F C -1.662 174.333 175.800 0.325 0.000 1.168 94 F CA -1.439 56.785 58.000 0.373 0.000 0.911 94 F CB 1.373 40.514 39.000 0.236 0.000 1.337 94 F HN 0.468 nan 8.300 nan 0.000 0.464 95 Y N 1.485 122.010 120.300 0.375 0.000 2.352 95 Y HA 0.509 5.059 4.550 -0.000 0.000 0.326 95 Y C -0.923 175.100 175.900 0.206 0.000 1.166 95 Y CA -1.008 57.010 58.100 -0.138 0.000 1.182 95 Y CB 1.194 39.351 38.460 -0.505 0.000 1.216 95 Y HN 0.717 nan 8.280 nan 0.000 0.474 96 D N 3.142 123.116 120.400 -0.710 0.000 2.453 96 D HA 0.178 4.818 4.640 -0.000 0.000 0.238 96 D C 0.195 175.901 176.300 -0.989 0.000 1.088 96 D CA -0.081 53.671 54.000 -0.412 0.000 0.854 96 D CB 1.526 42.427 40.800 0.169 0.000 1.076 96 D HN 0.767 nan 8.370 nan 0.000 0.533 97 S N 1.953 117.245 115.700 -0.681 0.000 2.402 97 S HA -0.138 4.332 4.470 -0.000 0.000 0.233 97 S C 1.940 176.409 174.600 -0.218 0.000 1.030 97 S CA 1.036 59.046 58.200 -0.317 0.000 1.003 97 S CB -0.128 63.092 63.200 0.032 0.000 0.813 97 S HN 0.640 nan 8.310 nan 0.000 0.477 98 G N 2.158 110.844 108.800 -0.190 0.000 2.552 98 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 98 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 98 G C 1.377 176.157 174.900 -0.200 0.000 1.240 98 G CA 0.938 45.951 45.100 -0.145 0.000 0.796 98 G HN 0.440 nan 8.290 nan 0.000 0.568 99 K N -0.563 119.671 120.400 -0.277 0.000 2.439 99 K HA 0.158 4.478 4.320 -0.000 0.000 0.197 99 K C 1.294 177.681 176.600 -0.355 0.000 1.041 99 K CA 0.153 56.225 56.287 -0.358 0.000 0.970 99 K CB 0.064 32.215 32.500 -0.580 0.000 0.773 99 K HN 0.277 nan 8.250 nan 0.000 0.479 100 R N -0.863 119.449 120.500 -0.312 0.000 3.422 100 R HA -0.245 4.095 4.340 -0.000 0.000 0.267 100 R C -1.330 174.884 176.300 -0.143 0.000 1.074 100 R CA 0.510 56.505 56.100 -0.175 0.000 0.718 100 R CB -1.565 28.644 30.300 -0.152 0.000 1.157 100 R HN 0.298 nan 8.270 nan 0.000 0.440 101 A N -0.051 122.654 122.820 -0.191 0.000 2.594 101 A HA 0.743 5.063 4.320 -0.000 0.000 0.291 101 A C -1.200 176.450 177.584 0.110 0.000 1.105 101 A CA -0.692 51.406 52.037 0.100 0.000 0.694 101 A CB 0.956 20.119 19.000 0.272 0.000 1.291 101 A HN 0.149 nan 8.150 nan 0.000 0.410 102 F N 1.113 121.227 119.950 0.274 0.000 2.404 102 F HA 0.569 5.096 4.527 -0.000 0.000 0.354 102 F C 0.982 176.616 175.800 -0.278 0.000 1.122 102 F CA -0.057 57.965 58.000 0.037 0.000 1.080 102 F CB 1.877 40.888 39.000 0.019 0.000 1.131 102 F HN 0.708 nan 8.300 nan 0.000 0.471 103 A N 3.700 126.123 122.820 -0.661 0.000 2.451 103 A HA 0.544 4.864 4.320 -0.000 0.000 0.266 103 A C -0.503 176.732 177.584 -0.583 0.000 1.119 103 A CA -0.322 50.957 52.037 -1.264 0.000 0.786 103 A CB -0.116 17.382 19.000 -2.505 0.000 1.061 103 A HN 0.867 nan 8.150 nan 0.000 0.503 104 V N 1.128 120.819 119.914 -0.372 0.000 2.612 104 V HA 0.582 4.702 4.120 -0.000 0.000 0.301 104 V C -0.612 175.475 176.094 -0.012 0.000 1.059 104 V CA -0.758 61.495 62.300 -0.079 0.000 0.886 104 V CB 1.277 33.155 31.823 0.092 0.000 1.007 104 V HN 0.882 nan 8.190 nan 0.000 0.426 105 E N 6.246 126.452 120.200 0.009 0.000 2.319 105 E HA 0.408 4.758 4.350 -0.000 0.000 0.268 105 E C -1.736 174.928 176.600 0.107 0.000 1.050 105 E CA -1.959 54.469 56.400 0.048 0.000 0.878 105 E CB 1.931 31.658 29.700 0.045 0.000 1.066 105 E HN 0.622 nan 8.360 nan 0.000 0.406 106 P HA -0.122 nan 4.420 nan 0.000 0.222 106 P C 0.981 178.333 177.300 0.087 0.000 1.147 106 P CA 0.926 64.132 63.100 0.177 0.000 0.790 106 P CB 0.232 32.025 31.700 0.155 0.000 0.780 107 G N 0.163 108.995 108.800 0.054 0.000 2.511 107 G HA2 0.113 4.073 3.960 -0.000 0.000 0.217 107 G HA3 0.113 4.073 3.960 -0.000 0.000 0.217 107 G C 0.800 175.707 174.900 0.012 0.000 1.133 107 G CA 0.373 45.491 45.100 0.030 0.000 0.792 107 G HN 0.468 nan 8.290 nan 0.000 0.539 108 A N 0.031 122.858 122.820 0.012 0.000 2.520 108 A HA 0.469 4.789 4.320 -0.000 0.000 0.235 108 A C 0.677 178.221 177.584 -0.067 0.000 1.065 108 A CA 0.416 52.442 52.037 -0.017 0.000 0.764 108 A CB 0.107 19.095 19.000 -0.019 0.000 1.002 108 A HN 0.171 nan 8.150 nan 0.000 0.502 109 T N 1.150 115.652 114.554 -0.088 0.000 2.918 109 T HA 0.410 4.760 4.350 -0.000 0.000 0.283 109 T C 1.651 176.206 174.700 -0.242 0.000 1.001 109 T CA -0.484 61.527 62.100 -0.149 0.000 1.041 109 T CB 0.189 68.992 68.868 -0.108 0.000 1.028 109 T HN 0.453 nan 8.240 nan 0.000 0.511 110 L N 2.344 123.352 121.223 -0.358 0.000 2.042 110 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 110 L C 2.860 179.457 176.870 -0.456 0.000 1.076 110 L CA 1.686 56.182 54.840 -0.573 0.000 0.749 110 L CB -0.976 40.706 42.059 -0.627 0.000 0.893 110 L HN 0.877 nan 8.230 nan 0.000 0.432 111 G N -0.273 108.424 108.800 -0.172 0.000 2.469 111 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 111 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 111 G C 1.433 176.327 174.900 -0.009 0.000 1.150 111 G CA 0.836 45.932 45.100 -0.006 0.000 0.763 111 G HN 0.435 nan 8.290 nan 0.000 0.561 112 E N -0.174 119.991 120.200 -0.057 0.000 2.072 112 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 112 E C 2.939 179.531 176.600 -0.014 0.000 0.985 112 E CA 1.501 57.892 56.400 -0.015 0.000 0.801 112 E CB -0.228 29.463 29.700 -0.014 0.000 0.750 112 E HN 0.593 nan 8.360 nan 0.000 0.452 113 T N -1.198 113.284 114.554 -0.119 0.000 2.777 113 T HA -0.204 4.146 4.350 -0.000 0.000 0.266 113 T C 1.863 176.557 174.700 -0.010 0.000 1.040 113 T CA 1.035 63.068 62.100 -0.112 0.000 1.141 113 T CB -0.798 67.918 68.868 -0.252 0.000 0.868 113 T HN 0.253 nan 8.240 nan 0.000 0.444 114 Y N 2.873 123.168 120.300 -0.008 0.000 2.114 114 Y HA -0.259 4.291 4.550 -0.000 0.000 0.282 114 Y C 3.058 179.039 175.900 0.136 0.000 1.165 114 Y CA 1.691 59.822 58.100 0.051 0.000 1.148 114 Y CB -0.272 38.149 38.460 -0.065 0.000 0.972 114 Y HN 0.344 nan 8.280 nan 0.000 0.504 115 R N 0.490 121.134 120.500 0.241 0.000 2.062 115 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 115 R C 2.392 178.829 176.300 0.228 0.000 1.128 115 R CA 1.169 57.400 56.100 0.218 0.000 0.960 115 R CB -0.920 29.455 30.300 0.126 0.000 0.855 115 R HN 0.163 nan 8.270 nan 0.000 0.432 116 A N 1.629 124.560 122.820 0.184 0.000 1.877 116 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 116 A C 2.190 179.944 177.584 0.283 0.000 1.186 116 A CA 1.123 53.274 52.037 0.191 0.000 0.620 116 A CB -0.491 18.627 19.000 0.197 0.000 0.822 116 A HN 0.265 nan 8.150 nan 0.000 0.443 117 L N -1.821 119.607 121.223 0.342 0.000 2.083 117 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 117 L C 2.318 179.447 176.870 0.431 0.000 1.083 117 L CA 1.825 56.926 54.840 0.436 0.000 0.752 117 L CB -1.301 40.847 42.059 0.149 0.000 0.899 117 L HN 0.622 nan 8.230 nan 0.000 0.433 118 Y N -0.528 119.907 120.300 0.226 0.000 2.153 118 Y HA -0.153 4.397 4.550 -0.000 0.000 0.289 118 Y C 2.338 178.301 175.900 0.104 0.000 1.127 118 Y CA 1.459 59.670 58.100 0.185 0.000 1.131 118 Y CB -0.228 38.417 38.460 0.309 0.000 0.995 118 Y HN 0.055 nan 8.280 nan 0.000 0.505 119 L N -0.157 121.074 121.223 0.013 0.000 2.093 119 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 119 L C 1.790 178.496 176.870 -0.273 0.000 1.085 119 L CA 1.541 56.289 54.840 -0.154 0.000 0.755 119 L CB -0.537 41.510 42.059 -0.020 0.000 0.904 119 L HN 0.197 nan 8.230 nan 0.000 0.435 120 D N -1.410 118.758 120.400 -0.386 0.000 2.194 120 D HA -0.117 4.523 4.640 -0.000 0.000 0.204 120 D C 1.746 177.549 176.300 -0.828 0.000 0.964 120 D CA 1.073 54.568 54.000 -0.842 0.000 0.846 120 D CB 0.167 39.959 40.800 -1.680 0.000 0.962 120 D HN 0.416 nan 8.370 nan 0.000 0.490 121 W N -0.847 120.439 121.300 -0.024 0.000 2.121 121 W HA 0.293 4.953 4.660 -0.000 0.000 0.275 121 W C 0.885 177.343 176.519 -0.102 0.000 0.903 121 W CA 0.170 57.497 57.345 -0.029 0.000 1.253 121 W CB 0.216 29.718 29.460 0.069 0.000 1.016 121 W HN 0.041 nan 8.180 nan 0.000 0.537 122 G N 2.073 110.859 108.800 -0.024 0.000 2.147 122 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 122 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 122 G C -0.320 174.587 174.900 0.011 0.000 1.005 122 G CA 0.534 45.549 45.100 -0.141 0.000 0.713 122 G HN 0.027 nan 8.290 nan 0.000 0.515 123 V N -0.978 118.987 119.914 0.084 0.000 3.181 123 V HA 0.999 5.119 4.120 -0.000 0.000 0.314 123 V C 0.588 176.657 176.094 -0.040 0.000 1.173 123 V CA 0.199 62.482 62.300 -0.029 0.000 1.052 123 V CB 2.140 33.916 31.823 -0.078 0.000 1.123 123 V HN 0.565 nan 8.190 nan 0.000 0.454 124 T N 0.665 115.130 114.554 -0.148 0.000 2.665 124 T HA 0.593 4.943 4.350 -0.000 0.000 0.303 124 T C -1.194 173.401 174.700 -0.175 0.000 1.334 124 T CA -0.500 61.556 62.100 -0.074 0.000 1.011 124 T CB 1.630 70.472 68.868 -0.044 0.000 1.573 124 T HN 0.799 nan 8.240 nan 0.000 0.492 125 I N -1.004 119.508 120.570 -0.097 0.000 2.646 125 I HA 0.630 4.800 4.170 -0.000 0.000 0.299 125 I C -2.684 173.416 176.117 -0.029 0.000 1.036 125 I CA -3.108 58.069 61.300 -0.205 0.000 1.074 125 I CB 2.396 40.156 38.000 -0.400 0.000 1.258 125 I HN 0.271 nan 8.210 nan 0.000 0.430 126 P HA 0.224 nan 4.420 nan 0.000 0.230 126 P C -0.154 177.205 177.300 0.098 0.000 1.791 126 P CA 0.178 63.298 63.100 0.033 0.000 1.020 126 P CB 0.045 31.764 31.700 0.032 0.000 1.977 127 A N 1.593 124.512 122.820 0.165 0.000 2.298 127 A HA 0.730 5.050 4.320 -0.000 0.000 0.302 127 A C 0.981 178.673 177.584 0.179 0.000 1.177 127 A CA -0.241 51.928 52.037 0.220 0.000 0.912 127 A CB -0.218 18.826 19.000 0.074 0.000 1.331 127 A HN 0.355 nan 8.150 nan 0.000 0.504 128 G N -1.859 107.024 108.800 0.139 0.000 2.744 128 G HA2 0.331 4.291 3.960 -0.000 0.000 0.257 128 G HA3 0.331 4.291 3.960 -0.000 0.000 0.257 128 G C 0.769 175.599 174.900 -0.116 0.000 1.244 128 G CA 0.350 45.408 45.100 -0.070 0.000 0.916 128 G HN 0.783 nan 8.290 nan 0.000 0.564 129 V N -0.427 119.370 119.914 -0.194 0.000 2.426 129 V HA -0.039 4.081 4.120 -0.000 0.000 0.242 129 V C 1.429 177.339 176.094 -0.307 0.000 1.036 129 V CA 0.653 62.871 62.300 -0.137 0.000 1.044 129 V CB -0.685 31.151 31.823 0.021 0.000 0.688 129 V HN 0.655 nan 8.190 nan 0.000 0.462 130 C N 2.681 121.603 119.300 -0.631 0.000 2.629 130 C HA 0.244 4.704 4.460 -0.000 0.000 0.410 130 C C -0.554 174.109 174.990 -0.546 0.000 1.339 130 C CA -0.735 57.688 59.018 -0.992 0.000 1.810 130 C CB 0.007 27.066 27.740 -1.135 0.000 2.549 130 C HN 0.380 nan 8.230 nan 0.000 0.589 131 P HA -0.118 nan 4.420 nan 0.000 0.221 131 P C 1.381 178.557 177.300 -0.206 0.000 1.150 131 P CA 1.078 64.083 63.100 -0.159 0.000 0.800 131 P CB -0.000 31.685 31.700 -0.025 0.000 0.787 132 Q N -0.200 119.452 119.800 -0.246 0.000 2.403 132 Q HA 0.064 4.404 4.340 -0.000 0.000 0.203 132 Q C 0.017 175.826 176.000 -0.318 0.000 0.932 132 Q CA 0.038 55.736 55.803 -0.175 0.000 0.945 132 Q CB 0.105 28.829 28.738 -0.023 0.000 1.045 132 Q HN 0.053 nan 8.270 nan 0.000 0.511 133 V N 0.781 120.327 119.914 -0.613 0.000 2.740 133 V HA 0.119 4.239 4.120 -0.000 0.000 0.303 133 V C 0.832 176.695 176.094 -0.385 0.000 1.054 133 V CA 0.216 62.079 62.300 -0.729 0.000 1.106 133 V CB 1.081 32.431 31.823 -0.788 0.000 0.957 133 V HN 0.311 nan 8.190 nan 0.000 0.486 134 G N 2.721 111.386 108.800 -0.226 0.000 2.395 134 G HA2 0.390 4.350 3.960 -0.000 0.000 0.283 134 G HA3 0.390 4.350 3.960 -0.000 0.000 0.283 134 G C 0.854 175.684 174.900 -0.116 0.000 1.178 134 G CA -0.446 44.581 45.100 -0.122 0.000 0.837 134 G HN 0.550 nan 8.290 nan 0.000 0.518 135 V N 3.166 123.019 119.914 -0.101 0.000 2.343 135 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 135 V C 3.063 179.174 176.094 0.028 0.000 1.051 135 V CA 2.543 64.799 62.300 -0.073 0.000 1.036 135 V CB -0.961 30.815 31.823 -0.077 0.000 0.654 135 V HN 0.860 nan 8.190 nan 0.000 0.451 136 G N 0.174 109.051 108.800 0.128 0.000 2.529 136 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 136 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 136 G C 1.374 176.401 174.900 0.211 0.000 1.177 136 G CA 1.111 46.355 45.100 0.241 0.000 0.773 136 G HN 0.647 nan 8.290 nan 0.000 0.573 137 G N -1.670 107.201 108.800 0.118 0.000 3.277 137 G HA2 0.297 4.257 3.960 -0.000 0.000 0.243 137 G HA3 0.297 4.257 3.960 -0.000 0.000 0.243 137 G C 1.042 175.977 174.900 0.058 0.000 1.107 137 G CA 0.758 45.912 45.100 0.091 0.000 0.771 137 G HN 0.569 nan 8.290 nan 0.000 0.544 138 H N -0.439 118.601 119.070 -0.050 0.000 2.418 138 H HA 0.186 4.742 4.556 -0.000 0.000 0.300 138 H C 2.193 177.491 175.328 -0.050 0.000 1.041 138 H CA 1.062 57.061 56.048 -0.081 0.000 1.364 138 H CB 0.408 30.084 29.762 -0.143 0.000 1.439 138 H HN 0.012 nan 8.280 nan 0.000 0.540 139 V N 1.339 121.196 119.914 -0.095 0.000 2.488 139 V HA -0.122 3.998 4.120 -0.000 0.000 0.246 139 V C 2.033 178.099 176.094 -0.046 0.000 1.046 139 V CA 1.241 63.441 62.300 -0.167 0.000 1.053 139 V CB -0.422 31.195 31.823 -0.342 0.000 0.679 139 V HN 0.494 nan 8.190 nan 0.000 0.458 140 L N 0.872 122.148 121.223 0.088 0.000 2.456 140 L HA 0.175 4.515 4.340 -0.000 0.000 0.224 140 L C 1.846 178.752 176.870 0.060 0.000 1.148 140 L CA 1.801 56.735 54.840 0.158 0.000 0.825 140 L CB -2.061 40.180 42.059 0.303 0.000 0.937 140 L HN 0.181 nan 8.230 nan 0.000 0.450 141 G N -1.284 107.521 108.800 0.007 0.000 3.277 141 G HA2 0.395 4.355 3.960 -0.000 0.000 0.243 141 G HA3 0.395 4.355 3.960 -0.000 0.000 0.243 141 G C 1.066 175.985 174.900 0.031 0.000 1.107 141 G CA 0.132 45.219 45.100 -0.021 0.000 0.771 141 G HN 0.781 nan 8.290 nan 0.000 0.544 142 G N -0.098 108.719 108.800 0.028 0.000 2.212 142 G HA2 0.086 4.046 3.960 -0.000 0.000 0.255 142 G HA3 0.086 4.046 3.960 -0.000 0.000 0.255 142 G C 0.789 175.793 174.900 0.173 0.000 1.062 142 G CA 0.112 45.275 45.100 0.105 0.000 0.815 142 G HN 1.172 nan 8.290 nan 0.000 0.497 143 G N -0.314 108.412 108.800 -0.124 0.000 2.257 143 G HA2 0.489 4.449 3.960 -0.000 0.000 0.235 143 G HA3 0.489 4.449 3.960 -0.000 0.000 0.235 143 G C 0.102 175.024 174.900 0.035 0.000 1.225 143 G CA 0.760 45.692 45.100 -0.280 0.000 0.878 143 G HN 1.813 nan 8.290 nan 0.000 0.505 144 Y N 0.850 121.172 120.300 0.036 0.000 2.630 144 Y HA 0.863 5.413 4.550 -0.000 0.000 0.337 144 Y C 0.400 176.359 175.900 0.098 0.000 1.051 144 Y CA -0.644 57.503 58.100 0.078 0.000 1.121 144 Y CB 1.738 40.263 38.460 0.108 0.000 1.299 144 Y HN 0.841 nan 8.280 nan 0.000 0.498 145 G N 0.038 108.734 108.800 -0.174 0.000 2.753 145 G HA2 0.400 4.360 3.960 -0.000 0.000 0.303 145 G HA3 0.400 4.360 3.960 -0.000 0.000 0.303 145 G C -2.715 172.002 174.900 -0.305 0.000 1.242 145 G CA -1.277 43.601 45.100 -0.370 0.000 0.810 145 G HN 0.342 nan 8.290 nan 0.000 0.515 146 P HA 0.081 nan 4.420 nan 0.000 0.220 146 P C 1.419 178.650 177.300 -0.115 0.000 1.148 146 P CA 0.814 63.532 63.100 -0.635 0.000 0.803 146 P CB 0.155 31.646 31.700 -0.348 0.000 0.782 147 L N -1.825 119.379 121.223 -0.032 0.000 2.628 147 L HA 0.138 4.478 4.340 -0.000 0.000 0.229 147 L C 1.817 178.721 176.870 0.057 0.000 1.137 147 L CA 0.176 55.032 54.840 0.027 0.000 0.909 147 L CB -0.430 41.632 42.059 0.005 0.000 1.137 147 L HN -0.076 nan 8.230 nan 0.000 0.470 148 S N 0.045 115.807 115.700 0.103 0.000 2.368 148 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 148 S C 2.042 176.670 174.600 0.047 0.000 1.030 148 S CA 0.975 59.242 58.200 0.111 0.000 0.999 148 S CB -0.166 63.161 63.200 0.211 0.000 0.844 148 S HN 0.397 nan 8.310 nan 0.000 0.459 149 R N 1.117 121.662 120.500 0.076 0.000 2.153 149 R HA -0.211 4.129 4.340 -0.000 0.000 0.252 149 R C 2.587 178.903 176.300 0.027 0.000 1.158 149 R CA 1.905 58.032 56.100 0.045 0.000 0.975 149 R CB -0.343 30.029 30.300 0.121 0.000 0.871 149 R HN 0.579 nan 8.270 nan 0.000 0.450 150 R N -0.403 120.121 120.500 0.040 0.000 2.066 150 R HA -0.012 4.328 4.340 -0.000 0.000 0.224 150 R C 0.661 176.977 176.300 0.027 0.000 1.122 150 R CA 1.582 57.696 56.100 0.025 0.000 0.974 150 R CB 0.126 30.435 30.300 0.015 0.000 0.871 150 R HN 0.032 nan 8.270 nan 0.000 0.435 151 D N -0.491 119.936 120.400 0.045 0.000 2.500 151 D HA 0.246 4.886 4.640 -0.000 0.000 0.218 151 D C 0.551 176.962 176.300 0.186 0.000 1.140 151 D CA 0.887 54.950 54.000 0.105 0.000 0.830 151 D CB 1.475 42.302 40.800 0.044 0.000 1.055 151 D HN 0.481 nan 8.370 nan 0.000 0.512 152 G N 0.604 109.464 108.800 0.100 0.000 2.587 152 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.212 152 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.212 152 G C -0.234 174.734 174.900 0.113 0.000 1.327 152 G CA -0.397 44.743 45.100 0.067 0.000 0.898 152 G HN 0.117 nan 8.290 nan 0.000 0.551 153 V N -0.199 119.772 119.914 0.095 0.000 3.319 153 V HA 0.284 4.404 4.120 -0.000 0.000 0.303 153 V C 2.141 178.353 176.094 0.197 0.000 1.094 153 V CA 0.793 63.176 62.300 0.137 0.000 1.106 153 V CB 1.440 33.319 31.823 0.094 0.000 1.099 153 V HN 1.486 nan 8.190 nan 0.000 0.476 154 V N 2.967 122.982 119.914 0.169 0.000 2.427 154 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 154 V C 2.216 178.479 176.094 0.282 0.000 1.051 154 V CA 2.262 64.669 62.300 0.179 0.000 1.048 154 V CB -0.285 31.584 31.823 0.076 0.000 0.666 154 V HN 1.041 nan 8.190 nan 0.000 0.456 155 A N -0.955 121.975 122.820 0.184 0.000 2.209 155 A HA -0.118 4.202 4.320 -0.000 0.000 0.212 155 A C 1.627 179.270 177.584 0.097 0.000 1.158 155 A CA 1.293 53.412 52.037 0.137 0.000 0.742 155 A CB -0.502 18.498 19.000 -0.000 0.000 0.790 155 A HN 0.605 nan 8.150 nan 0.000 0.472 156 D N -0.673 119.782 120.400 0.091 0.000 2.363 156 D HA -0.014 4.626 4.640 -0.000 0.000 0.226 156 D C 0.440 176.556 176.300 -0.306 0.000 1.020 156 D CA 0.693 54.647 54.000 -0.077 0.000 0.892 156 D CB -0.090 40.643 40.800 -0.112 0.000 0.900 156 D HN 0.635 nan 8.370 nan 0.000 0.531 157 H N -0.762 118.454 119.070 0.245 0.000 3.007 157 H HA 0.124 4.680 4.556 -0.000 0.000 0.251 157 H C -0.157 175.466 175.328 0.491 0.000 1.188 157 H CA -0.493 55.751 56.048 0.328 0.000 1.017 157 H CB 0.967 30.895 29.762 0.277 0.000 1.805 157 H HN -0.007 nan 8.280 nan 0.000 0.659 158 L N 1.579 123.068 121.223 0.442 0.000 2.283 158 L HA 0.072 4.412 4.340 -0.000 0.000 0.287 158 L C 0.900 178.017 176.870 0.412 0.000 1.073 158 L CA 0.041 55.053 54.840 0.286 0.000 0.822 158 L CB 0.228 42.457 42.059 0.283 0.000 1.186 158 L HN 0.172 nan 8.230 nan 0.000 0.436 159 Y N 5.291 125.656 120.300 0.108 0.000 2.301 159 Y HA 0.565 5.115 4.550 -0.000 0.000 0.295 159 Y C 0.621 176.452 175.900 -0.115 0.000 1.126 159 Y CA 0.650 58.731 58.100 -0.032 0.000 1.154 159 Y CB 0.476 38.932 38.460 -0.007 0.000 1.075 159 Y HN 0.619 nan 8.280 nan 0.000 0.534 160 A N -0.072 122.709 122.820 -0.065 0.000 2.609 160 A HA 0.624 4.944 4.320 -0.000 0.000 0.291 160 A C -2.160 175.481 177.584 0.094 0.000 1.096 160 A CA -0.352 51.583 52.037 -0.170 0.000 0.684 160 A CB 1.422 20.157 19.000 -0.442 0.000 1.282 160 A HN 0.141 nan 8.150 nan 0.000 0.412 161 V N 0.407 120.311 119.914 -0.017 0.000 2.760 161 V HA 0.598 4.718 4.120 -0.000 0.000 0.309 161 V C -1.114 174.872 176.094 -0.180 0.000 1.077 161 V CA -0.389 61.818 62.300 -0.156 0.000 0.910 161 V CB 1.909 33.498 31.823 -0.390 0.000 1.008 161 V HN 0.974 nan 8.190 nan 0.000 0.424 162 E N 4.256 124.363 120.200 -0.155 0.000 2.146 162 E HA 0.658 5.008 4.350 -0.000 0.000 0.282 162 E C -1.130 175.340 176.600 -0.216 0.000 0.989 162 E CA -0.282 56.049 56.400 -0.116 0.000 0.799 162 E CB 1.953 31.660 29.700 0.011 0.000 1.088 162 E HN 0.579 nan 8.360 nan 0.000 0.397 163 V N 2.708 122.510 119.914 -0.186 0.000 2.876 163 V HA 0.394 4.514 4.120 -0.000 0.000 0.312 163 V C -0.463 175.583 176.094 -0.080 0.000 1.085 163 V CA -1.072 61.116 62.300 -0.187 0.000 0.945 163 V CB 2.097 33.770 31.823 -0.249 0.000 1.017 163 V HN 0.349 nan 8.190 nan 0.000 0.428 164 V N 4.001 123.874 119.914 -0.067 0.000 2.347 164 V HA 0.567 4.687 4.120 -0.000 0.000 0.280 164 V C 0.006 176.114 176.094 0.023 0.000 1.021 164 V CA -0.312 61.991 62.300 0.004 0.000 0.847 164 V CB 1.516 33.355 31.823 0.026 0.000 0.990 164 V HN 0.788 nan 8.190 nan 0.000 0.444 165 V N 3.877 123.865 119.914 0.123 0.000 3.103 165 V HA 0.844 4.964 4.120 -0.000 0.000 0.318 165 V C -0.496 175.757 176.094 0.265 0.000 1.114 165 V CA -0.801 61.641 62.300 0.235 0.000 1.020 165 V CB 2.192 34.211 31.823 0.326 0.000 1.085 165 V HN 0.401 nan 8.190 nan 0.000 0.446 166 V N 1.118 121.215 119.914 0.305 0.000 2.540 166 V HA 0.436 4.556 4.120 -0.000 0.000 0.302 166 V C -0.382 175.787 176.094 0.125 0.000 1.035 166 V CA -0.410 62.004 62.300 0.191 0.000 0.873 166 V CB 1.461 33.377 31.823 0.154 0.000 0.992 166 V HN 1.022 nan 8.190 nan 0.000 0.428 167 D N 2.355 122.797 120.400 0.070 0.000 2.400 167 D HA 0.214 4.854 4.640 -0.000 0.000 0.238 167 D C 1.130 177.435 176.300 0.008 0.000 1.157 167 D CA 0.689 54.704 54.000 0.025 0.000 0.889 167 D CB 1.778 42.586 40.800 0.014 0.000 1.199 167 D HN 0.660 nan 8.370 nan 0.000 0.436 168 A N 1.705 124.515 122.820 -0.017 0.000 1.978 168 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 168 A C 2.013 179.588 177.584 -0.016 0.000 1.170 168 A CA 2.128 54.152 52.037 -0.022 0.000 0.636 168 A CB -0.519 18.458 19.000 -0.038 0.000 0.810 168 A HN 0.547 nan 8.150 nan 0.000 0.448 169 S N -1.613 114.079 115.700 -0.014 0.000 2.555 169 S HA 0.324 4.794 4.470 -0.000 0.000 0.230 169 S C 1.356 175.953 174.600 -0.005 0.000 0.978 169 S CA 1.224 59.418 58.200 -0.010 0.000 0.934 169 S CB -0.422 62.772 63.200 -0.010 0.000 0.766 169 S HN 2.014 nan 8.310 nan 0.000 0.533 170 G N 0.527 109.327 108.800 -0.001 0.000 2.134 170 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.209 170 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.209 170 G C -0.066 174.840 174.900 0.010 0.000 0.993 170 G CA -0.222 44.878 45.100 0.000 0.000 0.669 170 G HN 0.595 nan 8.290 nan 0.000 0.519 171 R N 0.411 120.922 120.500 0.019 0.000 2.346 171 R HA 0.682 5.022 4.340 -0.000 0.000 0.311 171 R C 0.709 177.039 176.300 0.049 0.000 0.983 171 R CA 0.194 56.310 56.100 0.027 0.000 0.880 171 R CB 1.252 31.565 30.300 0.022 0.000 1.100 171 R HN 0.513 nan 8.270 nan 0.000 0.453 172 A N 4.319 127.171 122.820 0.053 0.000 2.425 172 A HA 0.351 4.671 4.320 -0.000 0.000 0.249 172 A C -0.310 177.315 177.584 0.069 0.000 1.084 172 A CA -0.130 51.955 52.037 0.079 0.000 0.781 172 A CB 0.362 19.404 19.000 0.070 0.000 1.019 172 A HN 0.789 nan 8.150 nan 0.000 0.490 173 R N 1.840 122.391 120.500 0.086 0.000 2.668 173 R HA 0.499 4.839 4.340 -0.000 0.000 0.272 173 R C -1.205 175.139 176.300 0.074 0.000 1.019 173 R CA -0.910 55.234 56.100 0.073 0.000 0.894 173 R CB 1.668 32.014 30.300 0.076 0.000 1.228 173 R HN 0.672 nan 8.270 nan 0.000 0.460 174 K N 2.141 122.574 120.400 0.055 0.000 2.183 174 K HA 0.411 4.731 4.320 -0.000 0.000 0.274 174 K C -0.513 176.114 176.600 0.046 0.000 1.009 174 K CA -0.567 55.745 56.287 0.043 0.000 0.888 174 K CB 1.518 34.038 32.500 0.032 0.000 1.078 174 K HN 0.561 nan 8.250 nan 0.000 0.459 175 V N 0.789 120.725 119.914 0.036 0.000 2.962 175 V HA 0.638 4.758 4.120 -0.000 0.000 0.313 175 V C -1.103 174.978 176.094 -0.022 0.000 1.099 175 V CA -0.882 61.442 62.300 0.040 0.000 0.971 175 V CB 1.951 33.842 31.823 0.112 0.000 1.028 175 V HN 0.418 nan 8.190 nan 0.000 0.430 176 V N 2.962 122.859 119.914 -0.029 0.000 2.495 176 V HA 0.913 5.033 4.120 -0.000 0.000 0.298 176 V C 0.365 176.391 176.094 -0.112 0.000 1.031 176 V CA 0.193 62.445 62.300 -0.079 0.000 0.871 176 V CB 1.593 33.367 31.823 -0.082 0.000 0.988 176 V HN 1.478 nan 8.190 nan 0.000 0.432 177 A N 3.254 125.976 122.820 -0.164 0.000 2.353 177 A HA 0.817 5.137 4.320 -0.000 0.000 0.299 177 A C -0.393 177.058 177.584 -0.221 0.000 1.089 177 A CA -0.425 51.509 52.037 -0.171 0.000 0.736 177 A CB 1.896 20.771 19.000 -0.210 0.000 1.195 177 A HN 0.680 nan 8.150 nan 0.000 0.447 178 T N 0.015 114.367 114.554 -0.336 0.000 2.926 178 T HA 0.498 4.848 4.350 -0.000 0.000 0.289 178 T C 1.218 175.386 174.700 -0.887 0.000 1.054 178 T CA 0.344 62.016 62.100 -0.713 0.000 1.015 178 T CB 1.325 69.754 68.868 -0.732 0.000 1.167 178 T HN 1.182 nan 8.240 nan 0.000 0.526 179 S N 0.673 115.562 115.700 -1.352 0.000 2.605 179 S HA 0.420 4.890 4.470 -0.000 0.000 0.217 179 S C 0.781 174.963 174.600 -0.696 0.000 0.958 179 S CA -0.279 57.006 58.200 -1.525 0.000 0.919 179 S CB -0.289 61.798 63.200 -1.854 0.000 0.780 179 S HN 0.844 nan 8.310 nan 0.000 0.507 180 A N 1.182 123.728 122.820 -0.456 0.000 2.488 180 A HA 0.728 5.048 4.320 -0.000 0.000 0.249 180 A C 1.590 179.083 177.584 -0.152 0.000 1.083 180 A CA 0.091 52.000 52.037 -0.215 0.000 0.768 180 A CB -0.161 18.756 19.000 -0.139 0.000 1.017 180 A HN 0.761 nan 8.150 nan 0.000 0.496 181 A N 2.329 125.095 122.820 -0.091 0.000 1.997 181 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 181 A C 1.364 178.929 177.584 -0.032 0.000 1.172 181 A CA 2.197 54.210 52.037 -0.040 0.000 0.645 181 A CB -0.587 18.402 19.000 -0.019 0.000 0.813 181 A HN 0.944 nan 8.150 nan 0.000 0.454 182 D N -0.924 119.451 120.400 -0.042 0.000 2.328 182 D HA 0.067 4.707 4.640 -0.000 0.000 0.221 182 D C 0.012 176.292 176.300 -0.034 0.000 1.072 182 D CA -0.095 53.887 54.000 -0.031 0.000 0.850 182 D CB -0.194 40.587 40.800 -0.030 0.000 0.922 182 D HN 0.246 nan 8.370 nan 0.000 0.516 183 D N 1.287 121.656 120.400 -0.050 0.000 2.295 183 D HA 0.077 4.717 4.640 -0.000 0.000 0.248 183 D C -1.325 174.977 176.300 0.004 0.000 1.154 183 D CA -1.956 52.015 54.000 -0.048 0.000 0.857 183 D CB 1.895 42.628 40.800 -0.113 0.000 1.117 183 D HN -0.049 nan 8.370 nan 0.000 0.468 184 P HA -0.017 nan 4.420 nan 0.000 0.233 184 P C 0.229 177.638 177.300 0.180 0.000 1.167 184 P CA 0.425 63.572 63.100 0.079 0.000 0.770 184 P CB 0.520 32.260 31.700 0.065 0.000 0.837 185 N N -0.365 118.435 118.700 0.167 0.000 2.230 185 N HA 0.057 4.797 4.740 -0.000 0.000 0.202 185 N C 1.609 177.129 175.510 0.016 0.000 1.119 185 N CA -0.057 53.108 53.050 0.192 0.000 0.851 185 N CB -0.372 38.179 38.487 0.105 0.000 0.990 185 N HN 0.171 nan 8.380 nan 0.000 0.497 186 R N 1.236 121.780 120.500 0.073 0.000 2.159 186 R HA -0.076 4.264 4.340 -0.000 0.000 0.237 186 R C 1.065 177.525 176.300 0.267 0.000 1.131 186 R CA 1.181 57.373 56.100 0.154 0.000 0.982 186 R CB 0.238 30.614 30.300 0.127 0.000 0.868 186 R HN 0.071 nan 8.270 nan 0.000 0.453 187 E N 0.649 120.919 120.200 0.116 0.000 2.152 187 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 187 E C 1.937 178.465 176.600 -0.119 0.000 0.983 187 E CA 0.585 57.011 56.400 0.043 0.000 0.818 187 E CB -0.128 29.591 29.700 0.032 0.000 0.758 187 E HN 0.422 nan 8.360 nan 0.000 0.467 188 L N -0.228 120.713 121.223 -0.469 0.000 2.046 188 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 188 L C 2.319 179.047 176.870 -0.236 0.000 1.077 188 L CA 1.390 55.802 54.840 -0.713 0.000 0.747 188 L CB -0.327 40.871 42.059 -1.435 0.000 0.896 188 L HN 0.266 nan 8.230 nan 0.000 0.432 189 W N 0.160 121.309 121.300 -0.252 0.000 2.355 189 W HA -0.262 4.397 4.660 -0.000 0.000 0.309 189 W C 2.430 178.926 176.519 -0.038 0.000 1.206 189 W CA 1.450 58.703 57.345 -0.152 0.000 1.284 189 W CB -0.862 28.499 29.460 -0.165 0.000 1.145 189 W HN 0.259 nan 8.180 nan 0.000 0.502 190 W N 1.485 122.552 121.300 -0.387 0.000 2.304 190 W HA -0.337 4.323 4.660 -0.000 0.000 0.315 190 W C 2.217 178.376 176.519 -0.600 0.000 1.233 190 W CA 3.389 60.343 57.345 -0.653 0.000 1.261 190 W CB -1.212 28.115 29.460 -0.222 0.000 1.150 190 W HN 0.104 nan 8.180 nan 0.000 0.494 191 A N -0.572 122.101 122.820 -0.245 0.000 2.024 191 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 191 A C 1.414 178.582 177.584 -0.693 0.000 1.164 191 A CA 2.010 53.666 52.037 -0.636 0.000 0.643 191 A CB -1.247 16.984 19.000 -1.281 0.000 0.806 191 A HN 0.516 nan 8.150 nan 0.000 0.451 192 H N -1.974 116.790 119.070 -0.510 0.000 2.539 192 H HA 0.132 4.688 4.556 -0.000 0.000 0.267 192 H C 1.218 176.365 175.328 -0.302 0.000 0.982 192 H CA 1.056 56.913 56.048 -0.318 0.000 1.146 192 H CB 0.269 29.884 29.762 -0.246 0.000 1.382 192 H HN 0.340 nan 8.280 nan 0.000 0.577 193 T N -0.464 113.836 114.554 -0.423 0.000 3.287 193 T HA 0.332 4.682 4.350 -0.000 0.000 0.253 193 T C 0.934 175.506 174.700 -0.213 0.000 0.975 193 T CA 0.462 62.321 62.100 -0.402 0.000 0.912 193 T CB -0.750 67.659 68.868 -0.765 0.000 1.071 193 T HN 0.596 nan 8.240 nan 0.000 0.578 194 G N -0.752 107.997 108.800 -0.085 0.000 2.223 194 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.200 194 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.200 194 G C 0.770 175.769 174.900 0.165 0.000 1.061 194 G CA -0.046 45.084 45.100 0.050 0.000 0.790 194 G HN 0.553 nan 8.290 nan 0.000 0.498 195 G N -0.204 108.675 108.800 0.131 0.000 2.683 195 G HA2 0.566 4.526 3.960 -0.000 0.000 0.213 195 G HA3 0.566 4.526 3.960 -0.000 0.000 0.213 195 G C 1.264 176.402 174.900 0.396 0.000 1.142 195 G CA 1.487 46.757 45.100 0.283 0.000 0.793 195 G HN 2.030 nan 8.290 nan 0.000 0.534 196 G N -1.549 107.393 108.800 0.238 0.000 2.730 196 G HA2 0.251 4.211 3.960 -0.000 0.000 0.686 196 G HA3 0.251 4.211 3.960 -0.000 0.000 0.686 196 G C 1.018 176.029 174.900 0.186 0.000 1.343 196 G CA -0.164 45.043 45.100 0.178 0.000 0.826 196 G HN 1.006 nan 8.290 nan 0.000 0.582 197 G N 0.284 109.178 108.800 0.155 0.000 2.679 197 G HA2 0.309 4.269 3.960 -0.000 0.000 0.217 197 G HA3 0.309 4.269 3.960 -0.000 0.000 0.217 197 G C 1.399 176.417 174.900 0.197 0.000 1.267 197 G CA 1.553 46.750 45.100 0.162 0.000 0.799 197 G HN 2.066 nan 8.290 nan 0.000 0.606 198 G N 0.146 109.178 108.800 0.387 0.000 4.232 198 G HA2 0.446 4.406 3.960 -0.000 0.000 0.304 198 G HA3 0.446 4.406 3.960 -0.000 0.000 0.304 198 G C 0.265 175.193 174.900 0.046 0.000 1.295 198 G CA 0.161 45.448 45.100 0.311 0.000 1.398 198 G HN 0.482 nan 8.290 nan 0.000 0.571 199 N N -0.471 118.143 118.700 -0.143 0.000 2.249 199 N HA 0.099 4.839 4.740 -0.000 0.000 0.239 199 N C 0.624 175.831 175.510 -0.505 0.000 1.185 199 N CA -0.156 52.609 53.050 -0.474 0.000 0.825 199 N CB 0.294 38.213 38.487 -0.947 0.000 1.372 199 N HN 0.235 nan 8.380 nan 0.000 0.472 200 F N 0.355 120.257 119.950 -0.080 0.000 2.682 200 F HA 0.683 5.210 4.527 -0.000 0.000 0.308 200 F C 1.218 176.924 175.800 -0.158 0.000 1.093 200 F CA 0.124 58.080 58.000 -0.073 0.000 1.244 200 F CB 0.909 39.799 39.000 -0.183 0.000 1.052 200 F HN 0.285 nan 8.300 nan 0.000 0.573 201 G N 0.572 109.090 108.800 -0.469 0.000 2.316 201 G HA2 0.076 4.036 3.960 -0.000 0.000 0.349 201 G HA3 0.076 4.036 3.960 -0.000 0.000 0.349 201 G C -1.471 173.043 174.900 -0.643 0.000 1.274 201 G CA -1.153 43.394 45.100 -0.922 0.000 1.018 201 G HN -0.041 nan 8.290 nan 0.000 0.486 202 I N 0.835 121.159 120.570 -0.411 0.000 2.355 202 I HA 0.399 4.569 4.170 -0.000 0.000 0.288 202 I C 0.519 176.552 176.117 -0.141 0.000 0.999 202 I CA -1.006 60.179 61.300 -0.191 0.000 1.163 202 I CB 1.717 39.662 38.000 -0.091 0.000 1.316 202 I HN 0.335 nan 8.210 nan 0.000 0.454 203 V N 5.294 125.125 119.914 -0.138 0.000 2.521 203 V HA -0.006 4.114 4.120 -0.000 0.000 0.286 203 V C 1.190 177.162 176.094 -0.204 0.000 1.034 203 V CA 0.439 62.572 62.300 -0.277 0.000 1.045 203 V CB 1.145 32.684 31.823 -0.472 0.000 0.974 203 V HN 0.901 nan 8.190 nan 0.000 0.480 204 T N 5.184 119.620 114.554 -0.196 0.000 3.001 204 T HA 0.262 4.612 4.350 -0.000 0.000 0.251 204 T C 0.495 175.133 174.700 -0.103 0.000 1.040 204 T CA -0.030 62.010 62.100 -0.099 0.000 0.985 204 T CB -0.123 68.716 68.868 -0.049 0.000 1.011 204 T HN 0.675 nan 8.240 nan 0.000 0.509 205 R N -0.088 120.287 120.500 -0.207 0.000 2.907 205 R HA 0.329 4.669 4.340 -0.000 0.000 0.246 205 R C -2.298 173.808 176.300 -0.323 0.000 1.082 205 R CA -0.616 55.360 56.100 -0.208 0.000 1.003 205 R CB 0.705 30.918 30.300 -0.145 0.000 1.261 205 R HN 0.212 nan 8.270 nan 0.000 0.474 206 Y N 1.894 122.046 120.300 -0.246 0.000 2.446 206 Y HA 0.536 5.086 4.550 -0.000 0.000 0.338 206 Y C -0.653 174.950 175.900 -0.493 0.000 1.055 206 Y CA -0.314 57.627 58.100 -0.265 0.000 1.101 206 Y CB 1.623 39.983 38.460 -0.165 0.000 1.221 206 Y HN 0.429 nan 8.280 nan 0.000 0.460 207 W N 3.067 124.247 121.300 -0.200 0.000 2.532 207 W HA 0.609 5.269 4.660 -0.000 0.000 0.321 207 W C -1.626 174.690 176.519 -0.338 0.000 1.037 207 W CA -0.675 56.592 57.345 -0.129 0.000 1.220 207 W CB 1.028 30.522 29.460 0.057 0.000 1.361 207 W HN 0.231 nan 8.180 nan 0.000 0.468 208 F N 3.357 123.558 119.950 0.418 0.000 2.495 208 F HA 0.683 5.210 4.527 -0.000 0.000 0.327 208 F C 0.371 176.396 175.800 0.374 0.000 1.103 208 F CA -1.154 57.058 58.000 0.354 0.000 0.949 208 F CB 1.859 40.979 39.000 0.200 0.000 1.142 208 F HN 0.076 nan 8.300 nan 0.000 0.457 209 R N 1.188 121.975 120.500 0.478 0.000 2.563 209 R HA 0.207 4.547 4.340 -0.000 0.000 0.262 209 R C -1.535 174.951 176.300 0.310 0.000 1.128 209 R CA -0.501 55.799 56.100 0.334 0.000 0.969 209 R CB 2.089 32.466 30.300 0.128 0.000 1.251 209 R HN 0.708 nan 8.270 nan 0.000 0.442 210 T N 6.006 120.748 114.554 0.313 0.000 2.829 210 T HA 0.068 4.418 4.350 -0.000 0.000 0.293 210 T C -1.708 173.064 174.700 0.119 0.000 0.970 210 T CA -0.732 61.542 62.100 0.290 0.000 1.168 210 T CB 0.924 69.976 68.868 0.306 0.000 0.911 210 T HN 0.321 nan 8.240 nan 0.000 0.535 211 P HA -0.059 nan 4.420 nan 0.000 0.216 211 P C 1.005 178.315 177.300 0.017 0.000 1.150 211 P CA 0.705 63.819 63.100 0.023 0.000 0.843 211 P CB 0.050 31.748 31.700 -0.005 0.000 0.787 212 G N -0.439 108.374 108.800 0.021 0.000 3.101 212 G HA2 0.421 4.381 3.960 -0.000 0.000 0.272 212 G HA3 0.421 4.381 3.960 -0.000 0.000 0.272 212 G C -0.397 174.523 174.900 0.035 0.000 0.801 212 G CA 0.068 45.181 45.100 0.022 0.000 1.978 212 G HN 0.318 nan 8.290 nan 0.000 0.591 213 A N 2.033 124.869 122.820 0.026 0.000 2.457 213 A HA 0.711 5.031 4.320 -0.000 0.000 0.283 213 A C 0.127 177.713 177.584 0.004 0.000 1.166 213 A CA -0.461 51.592 52.037 0.027 0.000 0.740 213 A CB 1.233 20.264 19.000 0.050 0.000 1.181 213 A HN 0.291 nan 8.150 nan 0.000 0.446 214 T N 1.479 116.034 114.554 0.003 0.000 2.909 214 T HA 0.695 5.045 4.350 -0.000 0.000 0.286 214 T C 0.754 175.450 174.700 -0.006 0.000 1.002 214 T CA 1.071 63.168 62.100 -0.006 0.000 1.074 214 T CB 1.208 70.073 68.868 -0.004 0.000 0.984 214 T HN 2.275 nan 8.240 nan 0.000 0.495 215 G N 1.787 110.581 108.800 -0.011 0.000 2.728 215 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.294 215 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.294 215 G C 0.559 175.456 174.900 -0.005 0.000 1.342 215 G CA 0.023 45.118 45.100 -0.007 0.000 0.866 215 G HN 1.079 nan 8.290 nan 0.000 0.534 216 T N -2.790 111.766 114.554 0.003 0.000 3.054 216 T HA 0.325 4.675 4.350 -0.000 0.000 0.255 216 T C 0.426 175.130 174.700 0.006 0.000 1.035 216 T CA 1.023 63.137 62.100 0.023 0.000 0.941 216 T CB 0.447 69.334 68.868 0.031 0.000 1.026 216 T HN 0.656 nan 8.240 nan 0.000 0.533 217 D N 2.922 123.309 120.400 -0.021 0.000 2.336 217 D HA 0.230 4.870 4.640 -0.000 0.000 0.249 217 D C -1.655 174.566 176.300 -0.132 0.000 1.213 217 D CA -2.224 51.749 54.000 -0.046 0.000 0.870 217 D CB 1.931 42.725 40.800 -0.010 0.000 1.076 217 D HN 0.031 nan 8.370 nan 0.000 0.483 218 P HA -0.095 nan 4.420 nan 0.000 0.217 218 P C 1.135 178.361 177.300 -0.124 0.000 1.150 218 P CA 0.811 63.552 63.100 -0.597 0.000 0.832 218 P CB 0.226 31.148 31.700 -1.296 0.000 0.787 219 S N -0.633 115.084 115.700 0.029 0.000 2.493 219 S HA -0.149 4.321 4.470 -0.000 0.000 0.243 219 S C 1.388 176.014 174.600 0.043 0.000 0.991 219 S CA 1.036 59.300 58.200 0.108 0.000 0.957 219 S CB -0.712 62.557 63.200 0.115 0.000 0.756 219 S HN 0.397 nan 8.310 nan 0.000 0.521 220 Q N -0.390 119.422 119.800 0.020 0.000 2.155 220 Q HA 0.362 4.702 4.340 -0.000 0.000 0.220 220 Q C 0.762 176.780 176.000 0.030 0.000 0.819 220 Q CA -0.053 55.760 55.803 0.016 0.000 1.032 220 Q CB 0.387 29.130 28.738 0.008 0.000 1.151 220 Q HN 0.449 nan 8.270 nan 0.000 0.487 221 L N 0.099 121.358 121.223 0.061 0.000 2.616 221 L HA 0.316 4.656 4.340 -0.000 0.000 0.229 221 L C 0.102 177.062 176.870 0.150 0.000 1.110 221 L CA 0.524 55.433 54.840 0.115 0.000 0.884 221 L CB 0.581 42.724 42.059 0.141 0.000 1.115 221 L HN 0.115 nan 8.230 nan 0.000 0.481 222 L N -1.658 119.601 121.223 0.061 0.000 2.479 222 L HA 0.483 4.823 4.340 -0.000 0.000 0.255 222 L C -2.561 174.257 176.870 -0.087 0.000 1.026 222 L CA -1.936 52.888 54.840 -0.027 0.000 0.842 222 L CB 1.911 43.868 42.059 -0.169 0.000 1.444 222 L HN -0.313 nan 8.230 nan 0.000 0.409 223 P HA 0.066 nan 4.420 nan 0.000 0.266 223 P C -1.183 176.021 177.300 -0.160 0.000 1.195 223 P CA -0.197 62.820 63.100 -0.139 0.000 0.768 223 P CB 0.465 32.052 31.700 -0.188 0.000 0.838 224 K N 2.161 122.478 120.400 -0.137 0.000 2.249 224 K HA 0.507 4.827 4.320 -0.000 0.000 0.280 224 K C 0.075 176.514 176.600 -0.269 0.000 1.033 224 K CA -0.225 55.972 56.287 -0.151 0.000 0.946 224 K CB 0.293 32.734 32.500 -0.099 0.000 1.005 224 K HN 0.487 nan 8.250 nan 0.000 0.469 225 A N 5.149 127.753 122.820 -0.360 0.000 2.507 225 A HA 0.226 4.546 4.320 -0.000 0.000 0.235 225 A C -2.072 175.171 177.584 -0.568 0.000 1.070 225 A CA -0.833 50.720 52.037 -0.806 0.000 0.768 225 A CB -0.539 17.835 19.000 -1.043 0.000 1.011 225 A HN 0.555 nan 8.150 nan 0.000 0.502 226 P HA 0.134 nan 4.420 nan 0.000 0.270 226 P C 0.988 178.205 177.300 -0.138 0.000 1.223 226 P CA -0.014 62.897 63.100 -0.315 0.000 0.785 226 P CB 0.354 31.927 31.700 -0.212 0.000 0.923 227 T N -0.663 113.868 114.554 -0.038 0.000 2.720 227 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 227 T C 0.839 175.592 174.700 0.087 0.000 1.037 227 T CA 1.754 63.871 62.100 0.029 0.000 1.144 227 T CB -0.296 68.584 68.868 0.019 0.000 0.864 227 T HN 0.745 nan 8.240 nan 0.000 0.444 228 S N -1.121 114.637 115.700 0.096 0.000 2.636 228 S HA 0.464 4.934 4.470 -0.000 0.000 0.266 228 S C -1.384 173.304 174.600 0.147 0.000 1.147 228 S CA -1.108 57.173 58.200 0.135 0.000 0.815 228 S CB 1.875 65.129 63.200 0.090 0.000 1.119 228 S HN -0.021 nan 8.310 nan 0.000 0.470 229 T N 2.105 116.737 114.554 0.131 0.000 2.809 229 T HA 0.535 4.885 4.350 -0.000 0.000 0.296 229 T C -0.883 173.863 174.700 0.077 0.000 1.015 229 T CA -0.349 61.819 62.100 0.112 0.000 0.954 229 T CB 0.718 69.634 68.868 0.080 0.000 0.950 229 T HN 0.660 nan 8.240 nan 0.000 0.450 230 L N 4.262 125.530 121.223 0.075 0.000 2.276 230 L HA 0.607 4.947 4.340 -0.000 0.000 0.286 230 L C 0.056 176.980 176.870 0.089 0.000 1.061 230 L CA -0.158 54.731 54.840 0.081 0.000 0.807 230 L CB 0.445 42.547 42.059 0.072 0.000 1.177 230 L HN 0.515 nan 8.230 nan 0.000 0.429 231 R N 3.911 124.489 120.500 0.129 0.000 2.599 231 R HA 0.484 4.824 4.340 -0.000 0.000 0.295 231 R C -1.253 175.220 176.300 0.288 0.000 0.963 231 R CA -0.616 55.571 56.100 0.144 0.000 0.883 231 R CB 0.998 31.355 30.300 0.094 0.000 1.171 231 R HN 0.830 nan 8.270 nan 0.000 0.450 232 H N 4.440 123.520 119.070 0.016 0.000 2.589 232 H HA 0.312 4.868 4.556 -0.000 0.000 0.335 232 H C -0.629 174.678 175.328 -0.035 0.000 1.019 232 H CA -0.820 55.217 56.048 -0.020 0.000 1.213 232 H CB 2.277 32.019 29.762 -0.034 0.000 1.472 232 H HN 0.336 nan 8.280 nan 0.000 0.508 233 I N 4.816 125.418 120.570 0.055 0.000 2.312 233 I HA 0.249 4.419 4.170 -0.000 0.000 0.290 233 I C -1.008 175.046 176.117 -0.105 0.000 1.008 233 I CA -0.706 60.592 61.300 -0.004 0.000 1.226 233 I CB 0.568 38.576 38.000 0.013 0.000 1.371 233 I HN 0.289 nan 8.210 nan 0.000 0.468 234 V N 6.630 126.430 119.914 -0.189 0.000 2.370 234 V HA 0.439 4.559 4.120 -0.000 0.000 0.283 234 V C 0.204 176.003 176.094 -0.491 0.000 1.023 234 V CA -0.301 61.735 62.300 -0.439 0.000 0.857 234 V CB 1.398 32.869 31.823 -0.586 0.000 0.985 234 V HN 0.774 nan 8.190 nan 0.000 0.443 235 T N 4.849 119.088 114.554 -0.526 0.000 2.861 235 T HA 0.523 4.873 4.350 -0.000 0.000 0.287 235 T C -1.243 173.248 174.700 -0.349 0.000 1.003 235 T CA -0.332 61.611 62.100 -0.262 0.000 0.977 235 T CB 1.133 69.953 68.868 -0.081 0.000 0.996 235 T HN 0.611 nan 8.240 nan 0.000 0.448 236 W N 2.714 124.017 121.300 0.006 0.000 2.475 236 W HA 0.318 4.978 4.660 -0.000 0.000 0.320 236 W C -0.608 175.872 176.519 -0.065 0.000 1.022 236 W CA -0.914 56.410 57.345 -0.035 0.000 1.240 236 W CB 1.135 30.563 29.460 -0.054 0.000 1.328 236 W HN 0.652 nan 8.180 nan 0.000 0.439 237 D N 0.918 121.408 120.400 0.150 0.000 2.399 237 D HA -0.015 4.625 4.640 -0.000 0.000 0.241 237 D C 0.779 177.144 176.300 0.108 0.000 1.133 237 D CA 0.354 54.428 54.000 0.124 0.000 0.890 237 D CB 1.227 42.092 40.800 0.108 0.000 1.201 237 D HN 0.338 nan 8.370 nan 0.000 0.432 238 W N 0.892 122.244 121.300 0.086 0.000 2.402 238 W HA -0.149 4.511 4.660 -0.000 0.000 0.286 238 W C 2.482 179.030 176.519 0.049 0.000 1.221 238 W CA 1.140 58.518 57.345 0.055 0.000 1.257 238 W CB -0.135 29.312 29.460 -0.022 0.000 1.120 238 W HN 0.474 nan 8.180 nan 0.000 0.551 239 S N -0.546 115.307 115.700 0.256 0.000 2.423 239 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 239 S C 1.696 176.378 174.600 0.136 0.000 1.014 239 S CA 1.037 59.340 58.200 0.172 0.000 0.965 239 S CB -0.540 62.729 63.200 0.115 0.000 0.785 239 S HN 0.101 nan 8.310 nan 0.000 0.495 240 A N 0.429 123.321 122.820 0.120 0.000 2.308 240 A HA 0.552 4.872 4.320 -0.000 0.000 0.217 240 A C 0.589 178.223 177.584 0.083 0.000 1.216 240 A CA -0.378 51.714 52.037 0.092 0.000 0.864 240 A CB -0.209 18.843 19.000 0.086 0.000 0.902 240 A HN 0.513 nan 8.150 nan 0.000 0.499 241 L N 1.397 122.674 121.223 0.090 0.000 2.292 241 L HA 0.349 4.689 4.340 -0.000 0.000 0.284 241 L C -0.113 176.839 176.870 0.137 0.000 1.065 241 L CA -0.310 54.560 54.840 0.050 0.000 0.806 241 L CB 1.722 43.704 42.059 -0.127 0.000 1.175 241 L HN 0.175 nan 8.230 nan 0.000 0.431 242 T N -0.055 114.532 114.554 0.054 0.000 2.940 242 T HA 0.147 4.497 4.350 -0.000 0.000 0.288 242 T C 0.835 175.357 174.700 -0.297 0.000 1.033 242 T CA -0.741 61.349 62.100 -0.018 0.000 1.033 242 T CB 2.323 71.163 68.868 -0.046 0.000 1.079 242 T HN 0.593 nan 8.240 nan 0.000 0.496 243 E N 0.829 120.644 120.200 -0.641 0.000 2.085 243 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 243 E C 1.758 178.057 176.600 -0.502 0.000 0.994 243 E CA 1.579 57.250 56.400 -1.214 0.000 0.801 243 E CB 0.093 29.279 29.700 -0.856 0.000 0.743 243 E HN 0.748 nan 8.360 nan 0.000 0.453 244 E N 0.325 120.359 120.200 -0.277 0.000 2.051 244 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 244 E C 2.126 178.654 176.600 -0.120 0.000 0.991 244 E CA 1.119 57.427 56.400 -0.153 0.000 0.799 244 E CB -0.310 29.330 29.700 -0.101 0.000 0.748 244 E HN 0.267 nan 8.360 nan 0.000 0.449 245 A N 1.458 124.211 122.820 -0.112 0.000 1.898 245 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 245 A C 2.032 179.535 177.584 -0.134 0.000 1.181 245 A CA 1.048 53.021 52.037 -0.107 0.000 0.620 245 A CB -0.886 18.061 19.000 -0.089 0.000 0.819 245 A HN 0.309 nan 8.150 nan 0.000 0.442 246 F N 1.346 121.130 119.950 -0.276 0.000 2.091 246 F HA -0.222 4.304 4.527 -0.000 0.000 0.299 246 F C 2.444 178.107 175.800 -0.230 0.000 1.103 246 F CA 2.425 60.261 58.000 -0.274 0.000 1.228 246 F CB -0.521 38.399 39.000 -0.134 0.000 0.984 246 F HN 0.205 nan 8.300 nan 0.000 0.477 247 T N 1.085 115.639 114.554 -0.001 0.000 2.821 247 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 247 T C 2.021 176.660 174.700 -0.102 0.000 1.046 247 T CA 1.184 63.259 62.100 -0.042 0.000 1.139 247 T CB -0.183 68.677 68.868 -0.014 0.000 0.871 247 T HN 0.233 nan 8.240 nan 0.000 0.454 248 R N 0.628 121.063 120.500 -0.108 0.000 2.096 248 R HA 0.025 4.365 4.340 -0.000 0.000 0.235 248 R C 2.391 178.615 176.300 -0.127 0.000 1.127 248 R CA 1.030 57.075 56.100 -0.092 0.000 0.968 248 R CB -0.780 29.471 30.300 -0.083 0.000 0.861 248 R HN 0.426 nan 8.270 nan 0.000 0.440 249 I N 0.792 121.217 120.570 -0.242 0.000 2.142 249 I HA -0.288 3.882 4.170 -0.000 0.000 0.240 249 I C 2.373 178.359 176.117 -0.218 0.000 1.078 249 I CA 1.068 62.179 61.300 -0.315 0.000 1.343 249 I CB -0.224 37.418 38.000 -0.596 0.000 1.046 249 I HN 0.048 nan 8.210 nan 0.000 0.405 250 I N 0.755 121.118 120.570 -0.344 0.000 2.127 250 I HA -0.325 3.845 4.170 -0.000 0.000 0.241 250 I C 2.206 178.347 176.117 0.039 0.000 1.075 250 I CA 1.880 63.059 61.300 -0.203 0.000 1.334 250 I CB -1.343 36.510 38.000 -0.244 0.000 1.040 250 I HN 0.284 nan 8.210 nan 0.000 0.405 251 D N 0.688 121.100 120.400 0.020 0.000 2.144 251 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 251 D C 1.905 178.271 176.300 0.110 0.000 0.984 251 D CA 0.936 54.984 54.000 0.080 0.000 0.834 251 D CB -0.387 40.440 40.800 0.046 0.000 0.955 251 D HN 0.283 nan 8.370 nan 0.000 0.465 252 N N 0.103 118.851 118.700 0.079 0.000 2.058 252 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 252 N C 1.688 177.327 175.510 0.214 0.000 1.037 252 N CA 1.104 54.219 53.050 0.108 0.000 0.848 252 N CB -0.723 37.785 38.487 0.036 0.000 1.021 252 N HN 0.444 nan 8.380 nan 0.000 0.422 253 H N -0.448 118.699 119.070 0.128 0.000 2.289 253 H HA -0.084 4.472 4.556 -0.000 0.000 0.296 253 H C 1.999 177.582 175.328 0.426 0.000 1.091 253 H CA 2.403 58.617 56.048 0.278 0.000 1.274 253 H CB -0.608 29.307 29.762 0.255 0.000 1.364 253 H HN 0.244 nan 8.280 nan 0.000 0.490 254 G N -0.302 108.754 108.800 0.428 0.000 2.422 254 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 254 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 254 G C 1.878 176.915 174.900 0.228 0.000 1.146 254 G CA 0.743 46.022 45.100 0.298 0.000 0.769 254 G HN 0.645 nan 8.290 nan 0.000 0.547 255 A N -0.152 122.791 122.820 0.205 0.000 1.972 255 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 255 A C 2.113 179.793 177.584 0.160 0.000 1.169 255 A CA 1.492 53.618 52.037 0.148 0.000 0.635 255 A CB -0.624 18.449 19.000 0.121 0.000 0.810 255 A HN 0.588 nan 8.150 nan 0.000 0.446 256 W N 0.042 121.354 121.300 0.020 0.000 2.379 256 W HA -0.171 4.489 4.660 -0.000 0.000 0.307 256 W C 2.090 178.505 176.519 -0.173 0.000 1.200 256 W CA 2.083 59.383 57.345 -0.076 0.000 1.297 256 W CB -0.308 29.117 29.460 -0.058 0.000 1.140 256 W HN 0.537 nan 8.180 nan 0.000 0.507 257 H N -0.549 118.668 119.070 0.246 0.000 2.421 257 H HA -0.200 4.356 4.556 -0.000 0.000 0.298 257 H C 2.159 177.436 175.328 -0.085 0.000 1.087 257 H CA 2.231 58.320 56.048 0.069 0.000 1.330 257 H CB -0.394 29.414 29.762 0.077 0.000 1.388 257 H HN 0.299 nan 8.280 nan 0.000 0.526 258 Q N -0.106 119.725 119.800 0.052 0.000 2.172 258 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 258 Q C 1.688 177.623 176.000 -0.108 0.000 0.964 258 Q CA 1.371 57.167 55.803 -0.012 0.000 0.855 258 Q CB 0.215 28.961 28.738 0.013 0.000 0.918 258 Q HN 0.362 nan 8.270 nan 0.000 0.444 259 S N 0.443 116.018 115.700 -0.209 0.000 2.458 259 S HA 0.061 4.531 4.470 -0.000 0.000 0.223 259 S C 0.625 174.978 174.600 -0.411 0.000 1.019 259 S CA 0.063 58.100 58.200 -0.271 0.000 0.937 259 S CB 0.175 63.214 63.200 -0.268 0.000 0.788 259 S HN 0.296 nan 8.310 nan 0.000 0.511 260 N N 1.336 119.639 118.700 -0.662 0.000 2.776 260 N HA 0.397 5.137 4.740 -0.000 0.000 0.245 260 N C -0.694 174.480 175.510 -0.560 0.000 1.121 260 N CA 0.072 52.637 53.050 -0.808 0.000 0.852 260 N CB 1.269 38.685 38.487 -1.785 0.000 1.142 260 N HN 0.164 nan 8.380 nan 0.000 0.514 261 S N 0.753 116.285 115.700 -0.280 0.000 4.267 261 S HA 0.349 4.819 4.470 -0.000 0.000 0.252 261 S C -0.990 173.554 174.600 -0.093 0.000 1.024 261 S CA 0.503 58.614 58.200 -0.149 0.000 1.207 261 S CB -0.496 62.654 63.200 -0.084 0.000 1.873 261 S HN 0.469 nan 8.310 nan 0.000 0.562 262 A N 1.136 123.914 122.820 -0.071 0.000 1.708 262 A HA 0.317 4.637 4.320 -0.000 0.000 0.237 262 A C 0.614 178.166 177.584 -0.054 0.000 1.162 262 A CA 1.835 53.834 52.037 -0.062 0.000 0.778 262 A CB -2.203 16.762 19.000 -0.059 0.000 1.127 262 A HN 1.976 nan 8.150 nan 0.000 0.305 263 A N -0.243 122.551 122.820 -0.044 0.000 3.269 263 A HA 0.758 5.078 4.320 -0.000 0.000 0.296 263 A C 0.435 178.004 177.584 -0.025 0.000 1.061 263 A CA 0.089 52.105 52.037 -0.035 0.000 0.577 263 A CB -0.387 18.590 19.000 -0.039 0.000 1.557 263 A HN 1.979 nan 8.150 nan 0.000 0.712 264 G N 1.010 109.797 108.800 -0.021 0.000 4.959 264 G HA2 0.537 4.497 3.960 -0.000 0.000 0.297 264 G HA3 0.537 4.497 3.960 -0.000 0.000 0.297 264 G C 0.092 174.981 174.900 -0.019 0.000 1.351 264 G CA 0.847 45.938 45.100 -0.016 0.000 1.016 264 G HN 1.350 nan 8.290 nan 0.000 0.592 265 T N -2.595 111.948 114.554 -0.018 0.000 2.936 265 T HA 0.554 4.904 4.350 -0.000 0.000 0.282 265 T C -1.271 173.409 174.700 -0.034 0.000 1.003 265 T CA -1.640 60.446 62.100 -0.024 0.000 1.005 265 T CB 2.396 71.255 68.868 -0.016 0.000 1.097 265 T HN -0.140 nan 8.240 nan 0.000 0.532 266 P HA -0.154 nan 4.420 nan 0.000 0.217 266 P C 0.787 178.005 177.300 -0.137 0.000 1.158 266 P CA 1.455 64.463 63.100 -0.153 0.000 0.887 266 P CB -0.174 31.356 31.700 -0.284 0.000 0.792 267 Y N -1.195 119.094 120.300 -0.019 0.000 2.561 267 Y HA 0.144 4.694 4.550 -0.000 0.000 0.291 267 Y C 2.369 178.262 175.900 -0.012 0.000 1.141 267 Y CA 0.269 58.367 58.100 -0.004 0.000 1.303 267 Y CB -1.240 37.201 38.460 -0.031 0.000 1.015 267 Y HN -0.105 nan 8.280 nan 0.000 0.547 268 A N -1.178 121.701 122.820 0.099 0.000 2.076 268 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 268 A C 2.252 179.881 177.584 0.075 0.000 1.160 268 A CA 1.922 53.997 52.037 0.063 0.000 0.653 268 A CB -0.584 18.429 19.000 0.021 0.000 0.801 268 A HN 0.294 nan 8.150 nan 0.000 0.455 269 S N -1.159 114.580 115.700 0.065 0.000 2.575 269 S HA 0.251 4.721 4.470 -0.000 0.000 0.215 269 S C 0.645 175.306 174.600 0.102 0.000 0.966 269 S CA -0.211 58.024 58.200 0.059 0.000 0.911 269 S CB -0.200 63.008 63.200 0.014 0.000 0.780 269 S HN 0.633 nan 8.310 nan 0.000 0.514 270 M N 2.205 121.894 119.600 0.147 0.000 2.249 270 M HA 0.208 4.688 4.480 -0.000 0.000 0.351 270 M C -0.497 175.934 176.300 0.218 0.000 1.180 270 M CA -0.071 55.329 55.300 0.166 0.000 1.127 270 M CB 0.787 33.507 32.600 0.200 0.000 1.546 270 M HN 0.219 nan 8.290 nan 0.000 0.461 271 H N 2.589 121.724 119.070 0.109 0.000 2.637 271 H HA 0.591 5.147 4.556 -0.000 0.000 0.363 271 H C -1.775 173.638 175.328 0.142 0.000 1.131 271 H CA -0.400 55.741 56.048 0.155 0.000 1.183 271 H CB 1.797 31.665 29.762 0.177 0.000 1.637 271 H HN 0.793 nan 8.280 nan 0.000 0.531 272 S N 3.239 118.713 115.700 -0.377 0.000 2.546 272 S HA 0.528 4.998 4.470 -0.000 0.000 0.274 272 S C -1.538 172.842 174.600 -0.367 0.000 1.121 272 S CA -0.787 57.268 58.200 -0.242 0.000 0.887 272 S CB 1.931 65.151 63.200 0.034 0.000 1.094 272 S HN 0.291 nan 8.310 nan 0.000 0.474 273 V N 2.896 122.626 119.914 -0.306 0.000 2.444 273 V HA 0.467 4.587 4.120 -0.000 0.000 0.294 273 V C -1.041 174.791 176.094 -0.436 0.000 1.022 273 V CA -0.577 61.407 62.300 -0.526 0.000 0.850 273 V CB 1.227 32.653 31.823 -0.661 0.000 0.992 273 V HN 0.935 nan 8.190 nan 0.000 0.426 274 F N 5.171 124.833 119.950 -0.480 0.000 2.334 274 F HA 0.488 5.015 4.527 -0.000 0.000 0.367 274 F C -0.486 175.144 175.800 -0.284 0.000 1.115 274 F CA -0.841 56.990 58.000 -0.282 0.000 1.116 274 F CB 0.694 39.557 39.000 -0.229 0.000 1.230 274 F HN 0.483 nan 8.300 nan 0.000 0.484 275 Y N 6.622 127.153 120.300 0.385 0.000 2.556 275 Y HA 0.225 4.775 4.550 -0.000 0.000 0.352 275 Y C 0.072 176.066 175.900 0.157 0.000 1.006 275 Y CA -0.671 57.562 58.100 0.222 0.000 1.277 275 Y CB 0.428 39.021 38.460 0.222 0.000 1.136 275 Y HN 0.385 nan 8.280 nan 0.000 0.523 276 L N 4.970 126.290 121.223 0.161 0.000 2.399 276 L HA 0.185 4.525 4.340 -0.000 0.000 0.257 276 L C -0.055 176.953 176.870 0.229 0.000 1.236 276 L CA -0.342 54.560 54.840 0.103 0.000 1.144 276 L CB -0.642 41.413 42.059 -0.007 0.000 1.379 276 L HN 0.639 nan 8.230 nan 0.000 0.414 277 N N 0.730 119.594 118.700 0.274 0.000 2.415 277 N HA 0.117 4.857 4.740 -0.000 0.000 0.248 277 N C 0.270 175.872 175.510 0.152 0.000 1.271 277 N CA -0.029 53.127 53.050 0.178 0.000 0.913 277 N CB 0.976 39.555 38.487 0.153 0.000 1.129 277 N HN 0.343 nan 8.380 nan 0.000 0.444 278 S N 0.208 115.783 115.700 -0.208 0.000 2.617 278 S HA 0.094 4.564 4.470 -0.000 0.000 0.259 278 S C 0.950 175.031 174.600 -0.866 0.000 1.301 278 S CA -0.460 57.431 58.200 -0.516 0.000 0.984 278 S CB 0.580 63.379 63.200 -0.670 0.000 0.954 278 S HN 0.407 nan 8.310 nan 0.000 0.572 279 R N 0.735 120.484 120.500 -1.252 0.000 4.556 279 R HA 0.330 4.670 4.340 -0.000 0.000 0.197 279 R C 0.338 176.205 176.300 -0.723 0.000 1.791 279 R CA 0.119 55.470 56.100 -1.249 0.000 1.526 279 R CB -0.855 28.735 30.300 -1.184 0.000 1.410 279 R HN 0.633 nan 8.270 nan 0.000 0.826 280 A N -0.073 122.344 122.820 -0.672 0.000 2.377 280 A HA 0.212 4.532 4.320 -0.000 0.000 0.174 280 A C 1.395 178.721 177.584 -0.430 0.000 1.663 280 A CA 0.366 52.084 52.037 -0.531 0.000 1.219 280 A CB 0.128 18.724 19.000 -0.675 0.000 1.499 280 A HN 0.452 nan 8.150 nan 0.000 0.481 281 A N -0.804 121.715 122.820 -0.501 0.000 2.066 281 A HA 0.398 4.718 4.320 -0.000 0.000 0.218 281 A C 2.151 179.732 177.584 -0.004 0.000 1.157 281 A CA 1.734 53.623 52.037 -0.247 0.000 0.670 281 A CB -0.618 18.235 19.000 -0.246 0.000 0.804 281 A HN 2.036 nan 8.150 nan 0.000 0.453 282 G N -1.629 107.191 108.800 0.034 0.000 2.420 282 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.221 282 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.221 282 G C 0.161 175.263 174.900 0.336 0.000 1.117 282 G CA 0.603 45.796 45.100 0.155 0.000 0.657 282 G HN 1.488 nan 8.290 nan 0.000 0.512 283 Q N 0.370 120.387 119.800 0.362 0.000 2.522 283 Q HA 0.589 4.929 4.340 -0.000 0.000 0.285 283 Q C -0.583 175.595 176.000 0.296 0.000 0.982 283 Q CA -0.681 55.302 55.803 0.301 0.000 0.805 283 Q CB 1.483 30.331 28.738 0.184 0.000 1.457 283 Q HN 1.186 nan 8.270 nan 0.000 0.394 284 I N -0.688 120.004 120.570 0.203 0.000 2.440 284 I HA 0.720 4.890 4.170 -0.000 0.000 0.294 284 I C -0.933 175.470 176.117 0.475 0.000 0.995 284 I CA -1.044 60.433 61.300 0.295 0.000 1.306 284 I CB 1.373 39.446 38.000 0.122 0.000 1.407 284 I HN 0.637 nan 8.210 nan 0.000 0.501 285 L N 6.612 128.173 121.223 0.564 0.000 2.409 285 L HA 0.503 4.843 4.340 -0.000 0.000 0.272 285 L C -1.547 175.615 176.870 0.486 0.000 0.980 285 L CA -0.655 54.471 54.840 0.478 0.000 0.826 285 L CB 1.883 44.156 42.059 0.358 0.000 1.268 285 L HN 0.704 nan 8.230 nan 0.000 0.407 286 L N 4.709 126.002 121.223 0.118 0.000 2.262 286 L HA 0.409 4.749 4.340 -0.000 0.000 0.288 286 L C -1.144 175.672 176.870 -0.089 0.000 1.035 286 L CA -0.210 54.450 54.840 -0.300 0.000 0.820 286 L CB 1.224 42.846 42.059 -0.728 0.000 1.204 286 L HN 0.660 nan 8.230 nan 0.000 0.424 287 D N 6.264 126.651 120.400 -0.022 0.000 2.427 287 D HA 0.304 4.944 4.640 -0.000 0.000 0.226 287 D C -0.516 175.809 176.300 0.041 0.000 1.076 287 D CA -0.218 53.819 54.000 0.060 0.000 0.849 287 D CB 0.988 41.899 40.800 0.185 0.000 1.052 287 D HN 0.494 nan 8.370 nan 0.000 0.515 288 I N 1.917 122.523 120.570 0.061 0.000 2.530 288 I HA 0.547 4.717 4.170 -0.000 0.000 0.297 288 I C -1.339 174.826 176.117 0.080 0.000 1.011 288 I CA -0.559 60.785 61.300 0.073 0.000 1.107 288 I CB 1.639 39.697 38.000 0.096 0.000 1.285 288 I HN 0.380 nan 8.210 nan 0.000 0.436 289 Q N 6.779 126.641 119.800 0.104 0.000 2.462 289 Q HA 0.718 5.058 4.340 -0.000 0.000 0.285 289 Q C -1.827 174.234 176.000 0.102 0.000 1.035 289 Q CA -0.907 54.959 55.803 0.105 0.000 0.799 289 Q CB 3.101 31.925 28.738 0.144 0.000 1.452 289 Q HN 0.910 nan 8.270 nan 0.000 0.404 290 I N 0.570 121.187 120.570 0.078 0.000 3.021 290 I HA 0.206 4.376 4.170 -0.000 0.000 0.305 290 I C -1.849 174.305 176.117 0.062 0.000 1.434 290 I CA -0.710 60.630 61.300 0.067 0.000 0.969 290 I CB 2.480 40.498 38.000 0.031 0.000 1.328 290 I HN 0.930 nan 8.210 nan 0.000 0.486 291 D N 3.509 123.937 120.400 0.045 0.000 2.363 291 D HA 0.163 4.803 4.640 -0.000 0.000 0.263 291 D C 1.180 177.495 176.300 0.024 0.000 1.258 291 D CA 0.683 54.703 54.000 0.033 0.000 0.907 291 D CB 1.450 42.247 40.800 -0.004 0.000 1.107 291 D HN 0.640 nan 8.370 nan 0.000 0.495 292 G N 2.875 111.700 108.800 0.041 0.000 2.586 292 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.215 292 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.215 292 G C 1.167 176.080 174.900 0.022 0.000 1.128 292 G CA 0.290 45.411 45.100 0.036 0.000 0.774 292 G HN 0.593 nan 8.290 nan 0.000 0.543 293 G N 0.008 108.815 108.800 0.012 0.000 3.088 293 G HA2 0.382 4.342 3.960 -0.000 0.000 0.217 293 G HA3 0.382 4.342 3.960 -0.000 0.000 0.217 293 G C 0.336 175.230 174.900 -0.010 0.000 1.159 293 G CA -0.246 44.855 45.100 0.002 0.000 0.760 293 G HN 0.342 nan 8.290 nan 0.000 0.550 294 L N -0.901 120.312 121.223 -0.017 0.000 2.325 294 L HA 0.549 4.889 4.340 -0.000 0.000 0.279 294 L C -0.703 176.148 176.870 -0.031 0.000 1.054 294 L CA -1.932 52.890 54.840 -0.030 0.000 0.804 294 L CB 0.289 42.320 42.059 -0.046 0.000 1.200 294 L HN -0.235 nan 8.230 nan 0.000 0.436 295 D N 2.274 122.655 120.400 -0.033 0.000 2.629 295 D HA 0.224 4.864 4.640 -0.000 0.000 0.228 295 D C 1.332 177.609 176.300 -0.039 0.000 1.127 295 D CA 1.850 55.832 54.000 -0.029 0.000 0.855 295 D CB 0.476 41.258 40.800 -0.029 0.000 1.180 295 D HN 1.075 nan 8.370 nan 0.000 0.484 296 G N 1.951 110.737 108.800 -0.024 0.000 2.395 296 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.300 296 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.300 296 G C 1.229 176.108 174.900 -0.034 0.000 0.998 296 G CA 0.739 45.827 45.100 -0.021 0.000 1.046 296 G HN 0.696 nan 8.290 nan 0.000 0.513 297 A N -0.414 122.392 122.820 -0.024 0.000 1.858 297 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 297 A C 2.224 179.804 177.584 -0.007 0.000 1.190 297 A CA 2.062 54.083 52.037 -0.028 0.000 0.617 297 A CB -0.277 18.718 19.000 -0.008 0.000 0.827 297 A HN 0.465 nan 8.150 nan 0.000 0.443 298 E N -0.084 120.135 120.200 0.032 0.000 2.118 298 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 298 E C 2.324 178.976 176.600 0.085 0.000 0.992 298 E CA 1.228 57.678 56.400 0.084 0.000 0.804 298 E CB -0.452 29.309 29.700 0.101 0.000 0.741 298 E HN 0.528 nan 8.360 nan 0.000 0.458 299 A N 0.835 123.689 122.820 0.056 0.000 1.902 299 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 299 A C 2.292 179.929 177.584 0.088 0.000 1.181 299 A CA 1.587 53.663 52.037 0.064 0.000 0.623 299 A CB -0.677 18.346 19.000 0.038 0.000 0.818 299 A HN 0.248 nan 8.150 nan 0.000 0.443 300 L N -1.358 119.884 121.223 0.032 0.000 2.201 300 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 300 L C 2.113 179.160 176.870 0.295 0.000 1.105 300 L CA 0.832 55.724 54.840 0.086 0.000 0.775 300 L CB -0.881 40.952 42.059 -0.377 0.000 0.913 300 L HN 0.163 nan 8.230 nan 0.000 0.440 301 L N 0.697 121.994 121.223 0.123 0.000 2.068 301 L HA -0.087 4.253 4.340 -0.000 0.000 0.204 301 L C 2.231 179.172 176.870 0.119 0.000 1.076 301 L CA 1.586 56.456 54.840 0.050 0.000 0.753 301 L CB -1.118 40.692 42.059 -0.415 0.000 0.910 301 L HN 0.428 nan 8.230 nan 0.000 0.439 302 N N -1.223 117.575 118.700 0.163 0.000 2.396 302 N HA -0.139 4.601 4.740 -0.000 0.000 0.180 302 N C 1.195 176.773 175.510 0.113 0.000 1.028 302 N CA 0.773 53.913 53.050 0.149 0.000 0.893 302 N CB -0.394 38.179 38.487 0.143 0.000 0.967 302 N HN 0.203 nan 8.380 nan 0.000 0.440 303 D N 0.069 120.572 120.400 0.172 0.000 2.178 303 D HA -0.098 4.542 4.640 -0.000 0.000 0.202 303 D C 1.272 177.689 176.300 0.195 0.000 0.974 303 D CA 0.552 54.669 54.000 0.196 0.000 0.841 303 D CB -0.244 40.718 40.800 0.270 0.000 0.953 303 D HN 0.346 nan 8.370 nan 0.000 0.478 304 F N 0.998 120.942 119.950 -0.010 0.000 2.074 304 F HA -0.208 4.319 4.527 -0.000 0.000 0.293 304 F C 2.269 177.873 175.800 -0.326 0.000 1.116 304 F CA 1.337 59.121 58.000 -0.359 0.000 1.212 304 F CB -0.201 38.441 39.000 -0.596 0.000 0.998 304 F HN -0.081 nan 8.300 nan 0.000 0.471 305 V N 0.370 119.965 119.914 -0.532 0.000 2.469 305 V HA -0.168 3.952 4.120 -0.000 0.000 0.251 305 V C 2.285 178.243 176.094 -0.227 0.000 1.064 305 V CA 1.688 63.676 62.300 -0.520 0.000 1.066 305 V CB -1.820 29.829 31.823 -0.290 0.000 0.667 305 V HN 0.429 nan 8.190 nan 0.000 0.461 306 A N 0.400 123.159 122.820 -0.103 0.000 2.019 306 A HA 0.155 4.475 4.320 -0.000 0.000 0.219 306 A C 2.447 180.018 177.584 -0.021 0.000 1.164 306 A CA 2.085 54.107 52.037 -0.025 0.000 0.644 306 A CB -0.860 18.154 19.000 0.023 0.000 0.805 306 A HN 1.034 nan 8.150 nan 0.000 0.449 307 A N -0.859 121.931 122.820 -0.049 0.000 1.930 307 A HA 0.141 4.461 4.320 -0.000 0.000 0.215 307 A C 2.150 179.700 177.584 -0.055 0.000 1.176 307 A CA 1.305 53.346 52.037 0.008 0.000 0.632 307 A CB -0.668 18.414 19.000 0.137 0.000 0.819 307 A HN 0.301 nan 8.150 nan 0.000 0.445 308 V N 2.169 121.955 119.914 -0.214 0.000 2.343 308 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 308 V C 1.586 177.623 176.094 -0.095 0.000 1.051 308 V CA 1.994 64.178 62.300 -0.193 0.000 1.036 308 V CB -0.691 30.894 31.823 -0.396 0.000 0.654 308 V HN 0.927 nan 8.190 nan 0.000 0.451 309 N N -0.957 117.724 118.700 -0.031 0.000 2.401 309 N HA 0.024 4.764 4.740 -0.000 0.000 0.264 309 N C 1.131 176.648 175.510 0.012 0.000 1.238 309 N CA -0.118 52.929 53.050 -0.005 0.000 0.889 309 N CB 0.449 39.021 38.487 0.141 0.000 1.196 309 N HN 0.380 nan 8.380 nan 0.000 0.511 310 E N 1.500 121.702 120.200 0.004 0.000 2.033 310 E HA -0.124 4.226 4.350 -0.000 0.000 0.199 310 E C 1.173 177.779 176.600 0.010 0.000 1.011 310 E CA 1.580 57.990 56.400 0.016 0.000 0.815 310 E CB -0.261 29.454 29.700 0.025 0.000 0.755 310 E HN 0.548 nan 8.360 nan 0.000 0.451 311 G N 0.884 109.683 108.800 -0.002 0.000 3.327 311 G HA2 0.040 4.000 3.960 -0.000 0.000 0.240 311 G HA3 0.040 4.000 3.960 -0.000 0.000 0.240 311 G C 0.242 175.131 174.900 -0.019 0.000 1.222 311 G CA -0.049 45.048 45.100 -0.006 0.000 0.871 311 G HN 0.077 nan 8.290 nan 0.000 0.525 312 T N -0.647 113.896 114.554 -0.019 0.000 2.874 312 T HA 0.450 4.800 4.350 -0.000 0.000 0.281 312 T C 1.535 176.234 174.700 -0.002 0.000 0.994 312 T CA 0.306 62.388 62.100 -0.031 0.000 1.015 312 T CB 1.796 70.640 68.868 -0.041 0.000 1.028 312 T HN 0.060 nan 8.240 nan 0.000 0.523 313 G N -0.130 108.667 108.800 -0.004 0.000 3.020 313 G HA2 0.362 4.322 3.960 -0.000 0.000 0.217 313 G HA3 0.362 4.322 3.960 -0.000 0.000 0.217 313 G C 0.263 175.188 174.900 0.042 0.000 1.144 313 G CA 0.068 45.176 45.100 0.014 0.000 0.760 313 G HN 0.691 nan 8.290 nan 0.000 0.548 314 V N -0.715 119.244 119.914 0.074 0.000 2.769 314 V HA 0.794 4.914 4.120 -0.000 0.000 0.312 314 V C -1.416 174.801 176.094 0.205 0.000 1.061 314 V CA -1.248 61.131 62.300 0.131 0.000 0.931 314 V CB 2.254 34.175 31.823 0.163 0.000 1.010 314 V HN 0.116 nan 8.190 nan 0.000 0.433 315 E N 6.759 127.040 120.200 0.135 0.000 2.156 315 E HA 0.673 5.023 4.350 -0.000 0.000 0.279 315 E C -2.533 174.051 176.600 -0.027 0.000 0.965 315 E CA -1.850 54.600 56.400 0.084 0.000 0.789 315 E CB 1.687 31.403 29.700 0.026 0.000 1.098 315 E HN 0.787 nan 8.360 nan 0.000 0.397 316 P HA 0.267 nan 4.420 nan 0.000 0.276 316 P C -1.026 176.041 177.300 -0.389 0.000 1.261 316 P CA -0.633 62.095 63.100 -0.620 0.000 0.800 316 P CB 1.150 32.066 31.700 -1.307 0.000 1.066 317 A N 0.672 123.256 122.820 -0.393 0.000 2.302 317 A HA 0.560 4.880 4.320 -0.000 0.000 0.285 317 A C -0.479 176.924 177.584 -0.302 0.000 1.105 317 A CA -0.451 51.427 52.037 -0.266 0.000 0.816 317 A CB 0.366 19.255 19.000 -0.185 0.000 1.067 317 A HN 0.327 nan 8.150 nan 0.000 0.489 318 V N 2.065 121.845 119.914 -0.223 0.000 2.569 318 V HA 0.368 4.488 4.120 -0.000 0.000 0.301 318 V C -0.622 175.362 176.094 -0.183 0.000 1.044 318 V CA -0.436 61.731 62.300 -0.222 0.000 0.874 318 V CB 1.253 32.934 31.823 -0.237 0.000 1.002 318 V HN 0.982 nan 8.190 nan 0.000 0.424 319 Q N 3.935 123.644 119.800 -0.152 0.000 2.322 319 Q HA 0.688 5.028 4.340 -0.000 0.000 0.265 319 Q C -0.658 175.271 176.000 -0.119 0.000 0.985 319 Q CA -0.499 55.234 55.803 -0.116 0.000 0.849 319 Q CB 2.597 31.293 28.738 -0.070 0.000 1.274 319 Q HN 0.659 nan 8.270 nan 0.000 0.449 320 R N 0.836 121.254 120.500 -0.136 0.000 2.778 320 R HA 0.798 5.138 4.340 -0.000 0.000 0.277 320 R C -0.943 175.343 176.300 -0.023 0.000 0.977 320 R CA -0.696 55.336 56.100 -0.113 0.000 0.950 320 R CB 1.935 32.090 30.300 -0.241 0.000 1.165 320 R HN 0.767 nan 8.270 nan 0.000 0.474 321 S N -0.588 115.134 115.700 0.037 0.000 2.558 321 S HA 0.280 4.750 4.470 -0.000 0.000 0.277 321 S C -1.112 173.520 174.600 0.053 0.000 1.143 321 S CA -0.929 57.289 58.200 0.031 0.000 0.865 321 S CB 1.984 65.194 63.200 0.017 0.000 1.102 321 S HN 0.522 nan 8.310 nan 0.000 0.454 322 T N 1.468 116.046 114.554 0.040 0.000 2.815 322 T HA 0.589 4.939 4.350 -0.000 0.000 0.289 322 T C -1.228 173.492 174.700 0.034 0.000 1.000 322 T CA -0.269 61.858 62.100 0.045 0.000 0.958 322 T CB 0.782 69.678 68.868 0.047 0.000 0.944 322 T HN 0.609 nan 8.240 nan 0.000 0.442 323 E N 4.133 124.353 120.200 0.032 0.000 2.359 323 E HA 0.466 4.816 4.350 -0.000 0.000 0.266 323 E C -2.721 173.898 176.600 0.033 0.000 0.920 323 E CA -2.362 54.050 56.400 0.019 0.000 0.788 323 E CB 2.083 31.779 29.700 -0.006 0.000 1.279 323 E HN 0.419 nan 8.360 nan 0.000 0.438 324 P HA -0.032 nan 4.420 nan 0.000 0.268 324 P C 0.277 177.596 177.300 0.032 0.000 1.205 324 P CA 0.049 63.187 63.100 0.064 0.000 0.771 324 P CB 0.458 32.196 31.700 0.062 0.000 0.858 325 W N 4.674 125.912 121.300 -0.104 0.000 2.318 325 W HA -0.226 4.434 4.660 -0.000 0.000 0.313 325 W C 1.716 178.057 176.519 -0.297 0.000 1.221 325 W CA 1.451 58.676 57.345 -0.201 0.000 1.266 325 W CB -0.812 28.500 29.460 -0.246 0.000 1.150 325 W HN 0.282 nan 8.180 nan 0.000 0.496 326 L N 1.311 122.290 121.223 -0.406 0.000 2.056 326 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 326 L C 2.775 179.381 176.870 -0.441 0.000 1.078 326 L CA 2.533 56.983 54.840 -0.651 0.000 0.749 326 L CB -1.177 40.689 42.059 -0.321 0.000 0.901 326 L HN 0.100 nan 8.230 nan 0.000 0.433 327 R N -0.257 120.105 120.500 -0.230 0.000 2.083 327 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 327 R C 2.155 178.335 176.300 -0.200 0.000 1.137 327 R CA 1.771 57.778 56.100 -0.155 0.000 0.951 327 R CB -0.581 29.675 30.300 -0.073 0.000 0.851 327 R HN 0.456 nan 8.270 nan 0.000 0.434 328 A N -0.081 122.597 122.820 -0.236 0.000 1.902 328 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 328 A C 2.218 179.625 177.584 -0.296 0.000 1.181 328 A CA 2.016 53.923 52.037 -0.217 0.000 0.623 328 A CB -0.987 17.906 19.000 -0.178 0.000 0.818 328 A HN 0.530 nan 8.150 nan 0.000 0.443 329 T N 0.086 114.314 114.554 -0.542 0.000 2.833 329 T HA -0.037 4.313 4.350 -0.000 0.000 0.269 329 T C 1.253 175.734 174.700 -0.365 0.000 1.054 329 T CA 1.230 62.934 62.100 -0.659 0.000 1.135 329 T CB -0.248 67.824 68.868 -1.326 0.000 0.869 329 T HN 0.337 nan 8.240 nan 0.000 0.466 330 L N 0.848 121.909 121.223 -0.270 0.000 2.791 330 L HA 0.411 4.751 4.340 -0.000 0.000 0.239 330 L C 0.791 177.631 176.870 -0.049 0.000 1.203 330 L CA -0.657 54.108 54.840 -0.125 0.000 1.002 330 L CB -0.184 41.807 42.059 -0.112 0.000 1.295 330 L HN 0.086 nan 8.230 nan 0.000 0.504 331 A N 1.177 123.968 122.820 -0.047 0.000 2.451 331 A HA 0.085 4.405 4.320 -0.000 0.000 0.266 331 A C 0.721 178.339 177.584 0.056 0.000 1.119 331 A CA -0.312 51.709 52.037 -0.026 0.000 0.786 331 A CB -0.392 18.560 19.000 -0.080 0.000 1.061 331 A HN 0.651 nan 8.150 nan 0.000 0.503 332 N N 2.325 121.061 118.700 0.060 0.000 3.243 332 N HA 0.056 4.796 4.740 -0.000 0.000 0.310 332 N C -0.195 175.329 175.510 0.024 0.000 1.313 332 N CA -0.268 52.870 53.050 0.147 0.000 1.204 332 N CB 0.148 38.706 38.487 0.118 0.000 1.483 332 N HN 0.572 nan 8.380 nan 0.000 0.553 333 K N 1.047 121.291 120.400 -0.260 0.000 3.041 333 K HA 0.108 4.428 4.320 -0.000 0.000 0.243 333 K C -0.818 175.376 176.600 -0.678 0.000 1.167 333 K CA -0.101 55.932 56.287 -0.423 0.000 1.235 333 K CB -0.126 32.109 32.500 -0.441 0.000 1.205 333 K HN 0.413 nan 8.250 nan 0.000 0.448 334 F N 0.175 120.167 119.950 0.069 0.000 2.818 334 F HA 0.108 4.635 4.527 -0.000 0.000 0.369 334 F C 0.370 176.260 175.800 0.151 0.000 1.327 334 F CA -1.413 56.654 58.000 0.111 0.000 1.211 334 F CB 0.121 39.180 39.000 0.098 0.000 1.036 334 F HN 0.026 nan 8.300 nan 0.000 0.510 335 D N 1.013 121.541 120.400 0.214 0.000 2.472 335 D HA -0.075 4.565 4.640 -0.000 0.000 0.248 335 D C 1.268 177.708 176.300 0.233 0.000 1.174 335 D CA 0.775 54.890 54.000 0.192 0.000 0.883 335 D CB 1.482 42.351 40.800 0.115 0.000 1.149 335 D HN 0.211 nan 8.370 nan 0.000 0.488 336 T N 2.806 117.510 114.554 0.250 0.000 2.904 336 T HA 0.035 4.385 4.350 -0.000 0.000 0.267 336 T C 1.371 176.193 174.700 0.204 0.000 1.059 336 T CA 1.404 63.647 62.100 0.239 0.000 1.137 336 T CB -0.559 68.420 68.868 0.185 0.000 0.879 336 T HN 0.787 nan 8.240 nan 0.000 0.467 337 G N 0.199 109.077 108.800 0.130 0.000 2.283 337 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.280 337 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.280 337 G C 1.136 175.946 174.900 -0.150 0.000 1.029 337 G CA 0.735 45.878 45.100 0.072 0.000 0.840 337 G HN 1.361 nan 8.290 nan 0.000 0.505 338 G N -1.562 107.130 108.800 -0.179 0.000 2.336 338 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.233 338 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.233 338 G C 0.477 175.144 174.900 -0.388 0.000 1.053 338 G CA 0.358 45.248 45.100 -0.350 0.000 0.625 338 G HN 1.254 nan 8.290 nan 0.000 0.511 339 F N 3.255 123.132 119.950 -0.122 0.000 2.651 339 F HA 0.399 4.926 4.527 -0.000 0.000 0.347 339 F C 1.326 177.002 175.800 -0.207 0.000 1.284 339 F CA 0.008 57.915 58.000 -0.156 0.000 1.175 339 F CB 0.444 39.358 39.000 -0.143 0.000 1.542 339 F HN 0.224 nan 8.300 nan 0.000 0.661 340 D N 0.248 120.538 120.400 -0.183 0.000 2.379 340 D HA -0.014 4.626 4.640 -0.000 0.000 0.208 340 D C 0.482 176.513 176.300 -0.448 0.000 1.065 340 D CA -0.036 53.777 54.000 -0.311 0.000 0.848 340 D CB 0.069 40.694 40.800 -0.292 0.000 0.949 340 D HN 0.284 nan 8.370 nan 0.000 0.509 341 R N 0.616 120.772 120.500 -0.573 0.000 2.254 341 R HA 0.499 4.839 4.340 -0.000 0.000 0.318 341 R C -0.028 175.688 176.300 -0.974 0.000 1.031 341 R CA -0.087 55.449 56.100 -0.940 0.000 0.905 341 R CB 1.232 30.603 30.300 -1.549 0.000 1.050 341 R HN 0.200 nan 8.270 nan 0.000 0.456 342 T N -0.562 113.607 114.554 -0.642 0.000 2.900 342 T HA 0.522 4.872 4.350 -0.000 0.000 0.303 342 T C -0.997 173.691 174.700 -0.021 0.000 1.142 342 T CA -1.091 60.867 62.100 -0.237 0.000 1.007 342 T CB 2.362 71.232 68.868 0.003 0.000 1.156 342 T HN 0.271 nan 8.240 nan 0.000 0.490 343 K N 1.263 121.753 120.400 0.150 0.000 2.507 343 K HA 0.741 5.061 4.320 -0.000 0.000 0.251 343 K C -1.119 175.407 176.600 -0.123 0.000 0.943 343 K CA -0.354 55.994 56.287 0.102 0.000 0.794 343 K CB 1.755 34.383 32.500 0.214 0.000 1.188 343 K HN 1.057 nan 8.250 nan 0.000 0.428 344 S N 2.385 117.935 115.700 -0.250 0.000 2.618 344 S HA 0.849 5.319 4.470 -0.000 0.000 0.277 344 S C -1.540 172.795 174.600 -0.442 0.000 1.138 344 S CA -1.114 56.741 58.200 -0.576 0.000 0.844 344 S CB 1.556 64.075 63.200 -1.135 0.000 1.127 344 S HN 0.554 nan 8.310 nan 0.000 0.474 345 K N -0.129 119.932 120.400 -0.564 0.000 2.557 345 K HA 0.691 5.011 4.320 -0.000 0.000 0.257 345 K C -0.311 176.203 176.600 -0.143 0.000 0.933 345 K CA -1.056 55.003 56.287 -0.381 0.000 0.820 345 K CB 1.613 33.639 32.500 -0.791 0.000 1.330 345 K HN 0.822 nan 8.250 nan 0.000 0.432 346 G N 0.663 109.588 108.800 0.208 0.000 3.016 346 G HA2 0.919 4.879 3.960 -0.000 0.000 0.270 346 G HA3 0.919 4.879 3.960 -0.000 0.000 0.270 346 G C -1.348 173.834 174.900 0.471 0.000 1.352 346 G CA -0.726 44.654 45.100 0.467 0.000 1.060 346 G HN 0.823 nan 8.290 nan 0.000 0.538 347 A N -1.759 121.260 122.820 0.331 0.000 2.590 347 A HA 0.582 4.902 4.320 -0.000 0.000 0.296 347 A C -2.206 175.346 177.584 -0.054 0.000 1.050 347 A CA -0.657 51.476 52.037 0.159 0.000 0.697 347 A CB 0.666 19.844 19.000 0.297 0.000 1.277 347 A HN 0.632 nan 8.150 nan 0.000 0.411 348 Y N 1.217 121.534 120.300 0.029 0.000 2.353 348 Y HA 0.562 5.112 4.550 -0.000 0.000 0.340 348 Y C 0.125 175.995 175.900 -0.050 0.000 0.972 348 Y CA -0.276 57.797 58.100 -0.043 0.000 1.157 348 Y CB 1.441 39.873 38.460 -0.047 0.000 1.157 348 Y HN 0.543 nan 8.280 nan 0.000 0.495 349 L N 4.507 125.761 121.223 0.052 0.000 2.289 349 L HA 0.488 4.828 4.340 -0.000 0.000 0.285 349 L C 1.170 178.045 176.870 0.008 0.000 1.049 349 L CA -0.493 54.317 54.840 -0.050 0.000 0.804 349 L CB 1.609 43.510 42.059 -0.264 0.000 1.195 349 L HN 0.670 nan 8.230 nan 0.000 0.428 350 R N 1.376 121.880 120.500 0.006 0.000 2.173 350 R HA 0.141 4.481 4.340 -0.000 0.000 0.208 350 R C -0.106 176.194 176.300 0.001 0.000 1.035 350 R CA 0.704 56.812 56.100 0.015 0.000 1.004 350 R CB 0.420 30.729 30.300 0.015 0.000 0.917 350 R HN 0.550 nan 8.270 nan 0.000 0.462 351 K N -0.424 119.964 120.400 -0.020 0.000 2.512 351 K HA 0.362 4.681 4.320 -0.000 0.000 0.263 351 K C -2.763 173.798 176.600 -0.064 0.000 0.966 351 K CA -2.090 54.187 56.287 -0.018 0.000 0.851 351 K CB 2.109 34.612 32.500 0.006 0.000 1.395 351 K HN -0.252 nan 8.250 nan 0.000 0.440 352 P HA -0.032 nan 4.420 nan 0.000 0.271 352 P C -0.762 176.515 177.300 -0.039 0.000 1.238 352 P CA -0.178 62.887 63.100 -0.059 0.000 0.794 352 P CB 0.305 32.038 31.700 0.056 0.000 0.959 353 W N -0.722 120.605 121.300 0.046 0.000 2.124 353 W HA 0.117 4.777 4.660 -0.000 0.000 0.356 353 W C 1.555 178.077 176.519 0.005 0.000 1.302 353 W CA 0.099 57.446 57.345 0.005 0.000 1.293 353 W CB -0.307 29.137 29.460 -0.028 0.000 1.199 353 W HN 0.230 nan 8.180 nan 0.000 0.606 354 T N 0.237 114.955 114.554 0.274 0.000 2.824 354 T HA 0.380 4.730 4.350 -0.000 0.000 0.277 354 T C 1.193 175.959 174.700 0.109 0.000 0.975 354 T CA 0.081 62.268 62.100 0.144 0.000 0.966 354 T CB 0.983 69.910 68.868 0.098 0.000 1.054 354 T HN 0.499 nan 8.240 nan 0.000 0.533 355 A N 1.399 124.259 122.820 0.067 0.000 1.892 355 A HA 0.034 4.354 4.320 -0.000 0.000 0.218 355 A C 2.608 180.204 177.584 0.020 0.000 1.188 355 A CA 2.489 54.550 52.037 0.039 0.000 0.631 355 A CB -1.493 17.522 19.000 0.025 0.000 0.822 355 A HN 1.082 nan 8.150 nan 0.000 0.447 356 A N -1.197 121.630 122.820 0.013 0.000 1.897 356 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 356 A C 2.127 179.680 177.584 -0.051 0.000 1.181 356 A CA 1.566 53.595 52.037 -0.013 0.000 0.620 356 A CB -0.525 18.469 19.000 -0.010 0.000 0.821 356 A HN 0.642 nan 8.150 nan 0.000 0.443 357 Q N -0.533 119.232 119.800 -0.058 0.000 2.084 357 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 357 Q C 2.406 178.248 176.000 -0.264 0.000 0.978 357 Q CA 1.398 57.086 55.803 -0.192 0.000 0.844 357 Q CB -0.423 28.241 28.738 -0.124 0.000 0.898 357 Q HN 0.672 nan 8.270 nan 0.000 0.426 358 A N 0.995 123.740 122.820 -0.126 0.000 1.948 358 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 358 A C 2.226 179.825 177.584 0.025 0.000 1.177 358 A CA 1.809 53.807 52.037 -0.064 0.000 0.636 358 A CB -0.750 18.272 19.000 0.036 0.000 0.815 358 A HN 0.425 nan 8.150 nan 0.000 0.449 359 A N -1.618 121.197 122.820 -0.008 0.000 1.970 359 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 359 A C 2.251 179.834 177.584 -0.001 0.000 1.170 359 A CA 1.934 53.978 52.037 0.012 0.000 0.645 359 A CB -1.012 17.983 19.000 -0.008 0.000 0.816 359 A HN 0.405 nan 8.150 nan 0.000 0.447 360 T N 0.533 115.049 114.554 -0.063 0.000 2.684 360 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 360 T C 1.789 176.445 174.700 -0.073 0.000 1.036 360 T CA 1.510 63.566 62.100 -0.072 0.000 1.148 360 T CB -0.328 68.433 68.868 -0.179 0.000 0.863 360 T HN 0.196 nan 8.240 nan 0.000 0.436 361 L N 0.195 121.324 121.223 -0.158 0.000 1.970 361 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 361 L C 2.110 178.919 176.870 -0.102 0.000 1.071 361 L CA 1.776 56.536 54.840 -0.133 0.000 0.751 361 L CB -1.384 40.612 42.059 -0.105 0.000 0.889 361 L HN 0.333 nan 8.230 nan 0.000 0.432 362 Y N 0.216 120.338 120.300 -0.297 0.000 2.097 362 Y HA -0.301 4.249 4.550 -0.000 0.000 0.282 362 Y C 2.985 178.719 175.900 -0.275 0.000 1.152 362 Y CA 2.253 59.993 58.100 -0.600 0.000 1.136 362 Y CB -0.200 37.912 38.460 -0.580 0.000 0.975 362 Y HN 0.118 nan 8.280 nan 0.000 0.498 363 R N -1.183 119.286 120.500 -0.052 0.000 2.081 363 R HA -0.215 4.125 4.340 -0.000 0.000 0.235 363 R C 1.979 178.144 176.300 -0.226 0.000 1.131 363 R CA 2.137 58.161 56.100 -0.128 0.000 0.960 363 R CB -0.489 29.767 30.300 -0.073 0.000 0.856 363 R HN 0.497 nan 8.270 nan 0.000 0.436 364 H N -0.583 118.400 119.070 -0.145 0.000 2.462 364 H HA 0.019 4.575 4.556 -0.000 0.000 0.292 364 H C 1.767 177.109 175.328 0.024 0.000 1.049 364 H CA 1.247 57.268 56.048 -0.044 0.000 1.334 364 H CB 0.250 29.931 29.762 -0.136 0.000 1.404 364 H HN 0.145 nan 8.280 nan 0.000 0.544 365 L N -1.439 119.751 121.223 -0.055 0.000 2.162 365 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 365 L C 2.452 178.953 176.870 -0.615 0.000 1.086 365 L CA 0.729 55.476 54.840 -0.154 0.000 0.778 365 L CB -0.183 41.864 42.059 -0.020 0.000 0.928 365 L HN 0.161 nan 8.230 nan 0.000 0.446 366 S N -0.062 115.170 115.700 -0.780 0.000 2.423 366 S HA 0.045 4.515 4.470 -0.000 0.000 0.231 366 S C 1.182 175.377 174.600 -0.674 0.000 1.014 366 S CA 0.486 58.075 58.200 -1.017 0.000 0.965 366 S CB -0.172 62.459 63.200 -0.948 0.000 0.785 366 S HN 0.329 nan 8.310 nan 0.000 0.495 367 A N 1.535 124.075 122.820 -0.467 0.000 2.520 367 A HA 0.137 4.457 4.320 -0.000 0.000 0.235 367 A C 0.219 177.578 177.584 -0.375 0.000 1.065 367 A CA -0.024 51.806 52.037 -0.346 0.000 0.764 367 A CB -0.061 18.784 19.000 -0.259 0.000 1.002 367 A HN 0.402 nan 8.150 nan 0.000 0.502 368 D N 1.600 121.822 120.400 -0.297 0.000 2.767 368 D HA 0.209 4.849 4.640 -0.000 0.000 0.231 368 D C 0.969 177.120 176.300 -0.249 0.000 1.105 368 D CA 0.744 54.578 54.000 -0.276 0.000 1.024 368 D CB -0.444 40.231 40.800 -0.208 0.000 1.123 368 D HN 0.607 nan 8.370 nan 0.000 0.470 369 S N 1.438 116.954 115.700 -0.305 0.000 2.589 369 S HA -0.118 4.352 4.470 -0.000 0.000 0.256 369 S C 0.940 175.374 174.600 -0.277 0.000 1.383 369 S CA -0.008 58.016 58.200 -0.294 0.000 0.983 369 S CB 1.022 63.924 63.200 -0.497 0.000 0.908 369 S HN 0.395 nan 8.310 nan 0.000 0.572 370 Q N -0.164 119.486 119.800 -0.249 0.000 2.188 370 Q HA 0.379 4.719 4.340 -0.000 0.000 0.212 370 Q C -0.292 175.567 176.000 -0.234 0.000 0.846 370 Q CA -0.140 55.532 55.803 -0.219 0.000 0.989 370 Q CB 0.564 29.188 28.738 -0.190 0.000 1.114 370 Q HN 0.658 nan 8.270 nan 0.000 0.488 371 V N -3.367 116.332 119.914 -0.358 0.000 2.962 371 V HA 0.499 4.619 4.120 -0.000 0.000 0.313 371 V C -1.251 174.579 176.094 -0.441 0.000 1.099 371 V CA -0.959 61.128 62.300 -0.354 0.000 0.971 371 V CB 1.611 33.140 31.823 -0.489 0.000 1.028 371 V HN 0.319 nan 8.190 nan 0.000 0.430 372 W N 3.988 125.023 121.300 -0.441 0.000 2.081 372 W HA 0.554 5.214 4.660 -0.000 0.000 0.433 372 W C 0.536 176.868 176.519 -0.312 0.000 0.876 372 W CA 0.186 57.320 57.345 -0.351 0.000 1.631 372 W CB 0.629 29.947 29.460 -0.237 0.000 1.757 372 W HN 1.001 nan 8.180 nan 0.000 0.298 373 G N 2.778 111.283 108.800 -0.491 0.000 2.410 373 G HA2 0.572 4.532 3.960 -0.000 0.000 0.330 373 G HA3 0.572 4.532 3.960 -0.000 0.000 0.330 373 G C -1.168 173.806 174.900 0.123 0.000 1.142 373 G CA -0.392 44.696 45.100 -0.020 0.000 0.902 373 G HN 0.418 nan 8.290 nan 0.000 0.491 374 E N -1.391 118.972 120.200 0.273 0.000 2.401 374 E HA 0.505 4.855 4.350 -0.000 0.000 0.280 374 E C -1.771 174.926 176.600 0.161 0.000 1.039 374 E CA -0.936 55.581 56.400 0.195 0.000 0.814 374 E CB 1.667 31.472 29.700 0.176 0.000 1.275 374 E HN 0.375 nan 8.360 nan 0.000 0.448 375 V N 1.651 121.659 119.914 0.157 0.000 2.409 375 V HA 0.562 4.682 4.120 -0.000 0.000 0.291 375 V C -0.678 175.520 176.094 0.173 0.000 1.020 375 V CA -0.694 61.685 62.300 0.133 0.000 0.848 375 V CB 1.593 33.452 31.823 0.060 0.000 0.990 375 V HN 0.737 nan 8.190 nan 0.000 0.430 376 S N 6.154 122.006 115.700 0.253 0.000 2.462 376 S HA 0.732 5.202 4.470 -0.000 0.000 0.294 376 S C -0.460 174.193 174.600 0.089 0.000 1.144 376 S CA -0.517 57.771 58.200 0.146 0.000 1.088 376 S CB 1.008 64.384 63.200 0.293 0.000 1.009 376 S HN 0.525 nan 8.310 nan 0.000 0.484 377 L N 3.584 124.749 121.223 -0.098 0.000 2.313 377 L HA 0.537 4.877 4.340 -0.000 0.000 0.283 377 L C -1.372 175.412 176.870 -0.144 0.000 1.013 377 L CA -0.818 54.033 54.840 0.018 0.000 0.816 377 L CB 0.612 42.679 42.059 0.012 0.000 1.236 377 L HN 0.595 nan 8.230 nan 0.000 0.419 378 Y N 0.655 121.047 120.300 0.155 0.000 2.331 378 Y HA 0.307 4.857 4.550 -0.000 0.000 0.338 378 Y C 0.834 176.823 175.900 0.148 0.000 0.992 378 Y CA -0.893 57.306 58.100 0.165 0.000 1.121 378 Y CB 1.816 40.458 38.460 0.304 0.000 1.184 378 Y HN 0.617 nan 8.280 nan 0.000 0.469 379 S N 3.402 119.268 115.700 0.277 0.000 2.552 379 S HA 0.259 4.729 4.470 -0.000 0.000 0.289 379 S C -0.823 174.088 174.600 0.518 0.000 1.304 379 S CA -0.122 58.317 58.200 0.398 0.000 1.063 379 S CB 0.469 63.954 63.200 0.475 0.000 0.848 379 S HN 0.772 nan 8.310 nan 0.000 0.499 380 Y N 1.569 122.028 120.300 0.265 0.000 2.974 380 Y HA 0.593 5.143 4.550 -0.000 0.000 0.310 380 Y C 0.939 176.916 175.900 0.129 0.000 1.551 380 Y CA 0.053 58.258 58.100 0.176 0.000 1.084 380 Y CB 0.844 39.349 38.460 0.074 0.000 1.446 380 Y HN 1.193 nan 8.280 nan 0.000 0.472 381 G N 0.740 109.349 108.800 -0.317 0.000 2.509 381 G HA2 0.235 4.195 3.960 -0.000 0.000 0.256 381 G HA3 0.235 4.195 3.960 -0.000 0.000 0.256 381 G C 0.669 175.440 174.900 -0.214 0.000 1.152 381 G CA 0.480 45.456 45.100 -0.206 0.000 0.951 381 G HN 2.267 nan 8.290 nan 0.000 0.559 382 G N -0.565 108.175 108.800 -0.100 0.000 2.512 382 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.254 382 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.254 382 G C 0.950 175.802 174.900 -0.080 0.000 1.199 382 G CA 1.677 46.734 45.100 -0.072 0.000 0.941 382 G HN 1.935 nan 8.290 nan 0.000 0.569 383 K N -0.134 120.230 120.400 -0.059 0.000 2.209 383 K HA 0.168 4.488 4.320 -0.000 0.000 0.204 383 K C 2.589 179.145 176.600 -0.073 0.000 1.048 383 K CA 2.256 58.516 56.287 -0.045 0.000 0.940 383 K CB -0.473 32.022 32.500 -0.008 0.000 0.729 383 K HN 0.983 nan 8.250 nan 0.000 0.451 384 V N 1.297 121.133 119.914 -0.130 0.000 2.469 384 V HA -0.219 3.901 4.120 -0.000 0.000 0.251 384 V C 0.671 176.689 176.094 -0.126 0.000 1.064 384 V CA 2.005 64.211 62.300 -0.156 0.000 1.066 384 V CB -0.482 31.152 31.823 -0.315 0.000 0.667 384 V HN 0.447 nan 8.190 nan 0.000 0.461 385 N N -0.013 118.615 118.700 -0.120 0.000 2.434 385 N HA 0.062 4.802 4.740 -0.000 0.000 0.196 385 N C 1.407 176.884 175.510 -0.056 0.000 1.183 385 N CA 0.920 53.919 53.050 -0.085 0.000 0.849 385 N CB 0.307 38.748 38.487 -0.077 0.000 0.992 385 N HN 0.521 nan 8.380 nan 0.000 0.460 386 S N -1.091 114.577 115.700 -0.053 0.000 2.497 386 S HA 0.154 4.624 4.470 -0.000 0.000 0.218 386 S C 0.750 175.333 174.600 -0.029 0.000 1.023 386 S CA -0.272 57.906 58.200 -0.036 0.000 0.913 386 S CB 0.851 64.032 63.200 -0.032 0.000 0.800 386 S HN -0.043 nan 8.310 nan 0.000 0.505 387 V N 4.377 124.269 119.914 -0.037 0.000 2.498 387 V HA 0.263 4.383 4.120 -0.000 0.000 0.279 387 V C -2.451 173.633 176.094 -0.017 0.000 1.048 387 V CA -2.082 60.199 62.300 -0.030 0.000 0.967 387 V CB 0.478 32.271 31.823 -0.050 0.000 0.988 387 V HN 0.105 nan 8.190 nan 0.000 0.473 388 P HA 0.035 nan 4.420 nan 0.000 0.265 388 P C 0.875 178.194 177.300 0.032 0.000 1.193 388 P CA 0.095 63.210 63.100 0.025 0.000 0.765 388 P CB 0.569 32.300 31.700 0.052 0.000 0.823 389 E N 2.238 122.456 120.200 0.031 0.000 2.147 389 E HA -0.282 4.068 4.350 -0.000 0.000 0.199 389 E C 1.353 178.005 176.600 0.087 0.000 1.005 389 E CA 1.945 58.367 56.400 0.037 0.000 0.810 389 E CB -0.221 29.499 29.700 0.034 0.000 0.736 389 E HN 0.389 nan 8.360 nan 0.000 0.460 390 T N -1.830 112.799 114.554 0.125 0.000 3.129 390 T HA 0.299 4.649 4.350 -0.000 0.000 0.251 390 T C 1.158 176.092 174.700 0.391 0.000 1.117 390 T CA 0.628 62.863 62.100 0.224 0.000 1.034 390 T CB -0.055 68.914 68.868 0.167 0.000 0.968 390 T HN 0.307 nan 8.240 nan 0.000 0.526 391 A N -0.184 122.759 122.820 0.205 0.000 2.178 391 A HA 0.385 4.705 4.320 -0.000 0.000 0.211 391 A C 1.337 178.656 177.584 -0.442 0.000 1.157 391 A CA 0.412 52.520 52.037 0.119 0.000 0.780 391 A CB 0.038 19.062 19.000 0.039 0.000 0.828 391 A HN 0.478 nan 8.150 nan 0.000 0.476 392 T N -3.264 111.043 114.554 -0.412 0.000 2.804 392 T HA 0.544 4.894 4.350 -0.000 0.000 0.290 392 T C 0.127 174.586 174.700 -0.402 0.000 1.099 392 T CA 0.218 61.841 62.100 -0.794 0.000 1.011 392 T CB 1.614 70.210 68.868 -0.453 0.000 1.291 392 T HN 0.340 nan 8.240 nan 0.000 0.523 393 A N 1.222 123.818 122.820 -0.373 0.000 2.415 393 A HA 0.361 4.681 4.320 -0.000 0.000 0.248 393 A C 0.812 178.438 177.584 0.070 0.000 1.299 393 A CA 0.324 52.355 52.037 -0.010 0.000 0.899 393 A CB -0.668 18.328 19.000 -0.008 0.000 0.997 393 A HN 0.763 nan 8.150 nan 0.000 0.506 394 T N -3.032 111.522 114.554 0.000 0.000 2.853 394 T HA 0.609 4.959 4.350 -0.000 0.000 0.317 394 T C 0.802 175.519 174.700 0.029 0.000 1.059 394 T CA 0.046 62.183 62.100 0.061 0.000 0.954 394 T CB 1.266 70.161 68.868 0.046 0.000 0.994 394 T HN 0.306 nan 8.240 nan 0.000 0.479 395 A N 3.227 126.087 122.820 0.068 0.000 1.930 395 A HA 0.110 4.430 4.320 -0.000 0.000 0.215 395 A C 1.421 178.975 177.584 -0.050 0.000 1.176 395 A CA 0.383 52.444 52.037 0.041 0.000 0.632 395 A CB -0.469 18.589 19.000 0.096 0.000 0.819 395 A HN 0.736 nan 8.150 nan 0.000 0.445 396 Q N 0.991 120.696 119.800 -0.158 0.000 2.442 396 Q HA 0.126 4.466 4.340 -0.000 0.000 0.244 396 Q C -0.018 175.852 176.000 -0.215 0.000 1.302 396 Q CA 0.348 55.957 55.803 -0.324 0.000 0.889 396 Q CB 0.066 28.247 28.738 -0.929 0.000 1.578 396 Q HN 0.261 nan 8.270 nan 0.000 0.526 397 R N 1.657 122.087 120.500 -0.116 0.000 2.700 397 R HA 0.141 4.481 4.340 -0.000 0.000 0.377 397 R C -0.518 175.745 176.300 -0.061 0.000 1.130 397 R CA -0.027 56.023 56.100 -0.083 0.000 1.055 397 R CB 0.372 30.637 30.300 -0.058 0.000 1.387 397 R HN 0.386 nan 8.270 nan 0.000 0.580 398 D N -0.211 120.158 120.400 -0.052 0.000 3.404 398 D HA 0.111 4.751 4.640 -0.000 0.000 0.329 398 D C -1.069 175.235 176.300 0.006 0.000 1.421 398 D CA 0.102 54.088 54.000 -0.024 0.000 0.742 398 D CB 0.475 41.263 40.800 -0.020 0.000 1.290 398 D HN -0.193 nan 8.370 nan 0.000 0.600 399 S N -0.121 115.607 115.700 0.046 0.000 2.578 399 S HA 0.490 4.960 4.470 -0.000 0.000 0.301 399 S C 1.302 176.004 174.600 0.170 0.000 1.091 399 S CA -0.832 57.446 58.200 0.129 0.000 1.032 399 S CB 1.497 64.839 63.200 0.236 0.000 1.064 399 S HN 0.398 nan 8.310 nan 0.000 0.508 400 I N -1.332 119.329 120.570 0.152 0.000 3.939 400 I HA 0.526 4.696 4.170 -0.000 0.000 0.313 400 I C -0.449 175.794 176.117 0.212 0.000 1.274 400 I CA 0.375 61.769 61.300 0.156 0.000 1.301 400 I CB 0.234 38.296 38.000 0.103 0.000 1.105 400 I HN 0.363 nan 8.210 nan 0.000 0.427 401 I N 1.148 121.810 120.570 0.154 0.000 2.752 401 I HA 0.392 4.562 4.170 -0.000 0.000 0.295 401 I C -0.819 175.315 176.117 0.028 0.000 1.219 401 I CA -0.559 60.796 61.300 0.092 0.000 1.030 401 I CB 2.685 40.660 38.000 -0.042 0.000 1.259 401 I HN -0.060 nan 8.210 nan 0.000 0.423 402 K N 4.156 124.546 120.400 -0.015 0.000 2.207 402 K HA 0.773 5.093 4.320 -0.000 0.000 0.255 402 K C -1.244 175.477 176.600 0.203 0.000 0.941 402 K CA -0.650 55.535 56.287 -0.171 0.000 0.825 402 K CB 2.551 34.639 32.500 -0.688 0.000 1.119 402 K HN 0.481 nan 8.250 nan 0.000 0.430 403 V N 0.640 120.694 119.914 0.232 0.000 2.769 403 V HA 0.677 4.797 4.120 -0.000 0.000 0.312 403 V C -1.860 174.558 176.094 0.540 0.000 1.061 403 V CA -0.778 61.793 62.300 0.452 0.000 0.931 403 V CB 1.636 33.741 31.823 0.470 0.000 1.010 403 V HN 0.907 nan 8.190 nan 0.000 0.433 404 W N 6.413 127.914 121.300 0.334 0.000 2.647 404 W HA 0.810 5.470 4.660 -0.000 0.000 0.328 404 W C -1.057 175.525 176.519 0.105 0.000 1.018 404 W CA -0.992 56.408 57.345 0.093 0.000 1.245 404 W CB 1.979 31.425 29.460 -0.024 0.000 1.356 404 W HN 0.716 nan 8.180 nan 0.000 0.443 405 M N 5.816 125.204 119.600 -0.353 0.000 2.436 405 M HA 0.638 5.118 4.480 -0.000 0.000 0.331 405 M C 0.093 175.960 176.300 -0.721 0.000 1.135 405 M CA -0.674 54.407 55.300 -0.365 0.000 0.987 405 M CB 1.989 34.501 32.600 -0.146 0.000 1.687 405 M HN 0.431 nan 8.290 nan 0.000 0.445 406 S N 1.177 116.579 115.700 -0.497 0.000 2.638 406 S HA 0.957 5.427 4.470 -0.000 0.000 0.274 406 S C -1.431 173.201 174.600 0.054 0.000 1.157 406 S CA -0.928 57.014 58.200 -0.431 0.000 0.826 406 S CB 2.126 64.870 63.200 -0.760 0.000 1.139 406 S HN 0.912 nan 8.310 nan 0.000 0.474 407 A N 0.927 123.849 122.820 0.170 0.000 2.371 407 A HA 0.857 5.177 4.320 -0.000 0.000 0.311 407 A C -0.546 177.295 177.584 0.429 0.000 1.068 407 A CA -0.743 51.514 52.037 0.366 0.000 0.744 407 A CB 1.529 20.808 19.000 0.466 0.000 1.239 407 A HN 0.908 nan 8.150 nan 0.000 0.435 408 T N 1.800 116.618 114.554 0.439 0.000 2.881 408 T HA 0.705 5.055 4.350 -0.000 0.000 0.290 408 T C -0.812 174.158 174.700 0.450 0.000 1.000 408 T CA -0.213 62.094 62.100 0.345 0.000 0.978 408 T CB 0.697 69.688 68.868 0.206 0.000 0.997 408 T HN 1.110 nan 8.240 nan 0.000 0.443 409 W N 1.995 123.340 121.300 0.075 0.000 2.923 409 W HA 0.683 5.343 4.660 -0.000 0.000 0.373 409 W C 0.100 176.720 176.519 0.169 0.000 1.205 409 W CA -1.054 56.367 57.345 0.127 0.000 1.180 409 W CB 1.355 30.882 29.460 0.110 0.000 1.477 409 W HN 0.551 nan 8.180 nan 0.000 0.581 410 M N 0.621 120.440 119.600 0.365 0.000 2.740 410 M HA 0.106 4.586 4.480 -0.000 0.000 0.253 410 M C -0.099 176.220 176.300 0.032 0.000 1.341 410 M CA 0.560 55.889 55.300 0.049 0.000 1.176 410 M CB 0.299 32.863 32.600 -0.059 0.000 1.310 410 M HN 0.451 nan 8.290 nan 0.000 0.531 411 D N 1.152 121.687 120.400 0.225 0.000 2.233 411 D HA 0.175 4.815 4.640 -0.000 0.000 0.240 411 D C -2.158 174.193 176.300 0.085 0.000 1.074 411 D CA -1.864 52.114 54.000 -0.037 0.000 0.838 411 D CB 2.025 42.586 40.800 -0.397 0.000 1.124 411 D HN 0.065 nan 8.370 nan 0.000 0.475 412 P HA -0.097 nan 4.420 nan 0.000 0.222 412 P C 1.119 178.436 177.300 0.028 0.000 1.147 412 P CA 0.722 63.880 63.100 0.098 0.000 0.790 412 P CB 0.084 31.780 31.700 -0.006 0.000 0.780 413 A N -0.162 122.579 122.820 -0.130 0.000 2.070 413 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 413 A C 1.465 179.023 177.584 -0.044 0.000 1.159 413 A CA 1.240 53.206 52.037 -0.119 0.000 0.656 413 A CB -1.678 17.227 19.000 -0.158 0.000 0.800 413 A HN 0.402 nan 8.150 nan 0.000 0.453 414 H N -1.303 117.772 119.070 0.007 0.000 2.520 414 H HA 0.126 4.682 4.556 -0.000 0.000 0.284 414 H C 0.639 175.749 175.328 -0.364 0.000 1.037 414 H CA -0.248 55.705 56.048 -0.160 0.000 1.168 414 H CB 0.275 29.916 29.762 -0.203 0.000 1.497 414 H HN 0.314 nan 8.280 nan 0.000 0.547 415 D N 1.178 121.549 120.400 -0.050 0.000 2.158 415 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 415 D C 1.574 177.768 176.300 -0.176 0.000 0.995 415 D CA 1.163 55.130 54.000 -0.055 0.000 0.846 415 D CB -0.015 40.920 40.800 0.225 0.000 0.941 415 D HN 0.430 nan 8.370 nan 0.000 0.456 416 D N 0.020 120.375 120.400 -0.075 0.000 2.117 416 D HA -0.076 4.564 4.640 -0.000 0.000 0.198 416 D C 2.019 178.270 176.300 -0.080 0.000 0.982 416 D CA 1.253 55.230 54.000 -0.040 0.000 0.828 416 D CB -0.179 40.623 40.800 0.003 0.000 0.967 416 D HN 0.160 nan 8.370 nan 0.000 0.464 417 A N 1.287 124.031 122.820 -0.128 0.000 1.873 417 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 417 A C 2.035 179.514 177.584 -0.174 0.000 1.186 417 A CA 1.142 53.105 52.037 -0.124 0.000 0.616 417 A CB -0.454 18.460 19.000 -0.144 0.000 0.823 417 A HN 0.145 nan 8.150 nan 0.000 0.442 418 N N 0.141 118.585 118.700 -0.427 0.000 2.058 418 N HA -0.126 4.614 4.740 -0.000 0.000 0.191 418 N C 1.796 177.178 175.510 -0.213 0.000 1.037 418 N CA 1.631 54.373 53.050 -0.514 0.000 0.848 418 N CB -0.435 37.138 38.487 -1.524 0.000 1.021 418 N HN 0.453 nan 8.380 nan 0.000 0.422 419 L N 1.263 122.344 121.223 -0.237 0.000 2.043 419 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 419 L C 2.587 179.452 176.870 -0.008 0.000 1.075 419 L CA 1.380 56.189 54.840 -0.050 0.000 0.752 419 L CB -0.538 41.529 42.059 0.015 0.000 0.891 419 L HN 0.144 nan 8.230 nan 0.000 0.432 420 A N -0.071 122.771 122.820 0.037 0.000 1.883 420 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 420 A C 2.147 179.781 177.584 0.083 0.000 1.186 420 A CA 1.795 53.893 52.037 0.101 0.000 0.624 420 A CB -1.183 17.883 19.000 0.109 0.000 0.822 420 A HN 0.740 nan 8.150 nan 0.000 0.444 421 W N 1.887 123.141 121.300 -0.077 0.000 2.315 421 W HA -0.297 4.363 4.660 -0.000 0.000 0.323 421 W C 1.643 178.093 176.519 -0.116 0.000 1.233 421 W CA 2.603 59.902 57.345 -0.076 0.000 1.267 421 W CB -0.624 28.774 29.460 -0.104 0.000 1.160 421 W HN 0.430 nan 8.180 nan 0.000 0.474 422 I N 0.794 121.101 120.570 -0.439 0.000 2.394 422 I HA -0.131 4.039 4.170 -0.000 0.000 0.251 422 I C 2.501 178.305 176.117 -0.522 0.000 1.136 422 I CA 1.573 62.493 61.300 -0.633 0.000 1.425 422 I CB -1.285 36.557 38.000 -0.263 0.000 1.079 422 I HN -0.121 nan 8.210 nan 0.000 0.425 423 R N 0.913 121.156 120.500 -0.429 0.000 2.073 423 R HA -0.054 4.286 4.340 -0.000 0.000 0.229 423 R C 2.276 178.340 176.300 -0.394 0.000 1.120 423 R CA 1.345 57.113 56.100 -0.553 0.000 0.967 423 R CB -0.411 29.317 30.300 -0.954 0.000 0.862 423 R HN 0.457 nan 8.270 nan 0.000 0.436 424 E N 0.656 120.684 120.200 -0.287 0.000 2.058 424 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 424 E C 1.904 178.211 176.600 -0.488 0.000 0.997 424 E CA 1.671 57.940 56.400 -0.218 0.000 0.801 424 E CB -0.157 29.489 29.700 -0.089 0.000 0.746 424 E HN 0.356 nan 8.360 nan 0.000 0.450 425 I N -0.536 119.547 120.570 -0.812 0.000 2.226 425 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 425 I C 2.281 178.110 176.117 -0.481 0.000 1.100 425 I CA 1.224 61.988 61.300 -0.893 0.000 1.374 425 I CB -0.547 36.876 38.000 -0.961 0.000 1.057 425 I HN 0.098 nan 8.210 nan 0.000 0.413 426 Y N 2.005 122.040 120.300 -0.442 0.000 2.114 426 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 426 Y C 3.047 178.898 175.900 -0.082 0.000 1.143 426 Y CA 1.974 59.949 58.100 -0.208 0.000 1.135 426 Y CB -0.154 38.204 38.460 -0.169 0.000 0.980 426 Y HN -0.036 nan 8.280 nan 0.000 0.499 427 R N 0.499 121.017 120.500 0.030 0.000 2.105 427 R HA -0.219 4.121 4.340 -0.000 0.000 0.239 427 R C 2.186 178.468 176.300 -0.029 0.000 1.135 427 R CA 2.014 58.152 56.100 0.062 0.000 0.967 427 R CB -0.384 30.009 30.300 0.155 0.000 0.861 427 R HN 0.490 nan 8.270 nan 0.000 0.442 428 E N 0.604 120.728 120.200 -0.127 0.000 2.072 428 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 428 E C 1.970 178.433 176.600 -0.229 0.000 0.982 428 E CA 1.206 57.519 56.400 -0.144 0.000 0.803 428 E CB -0.084 29.515 29.700 -0.168 0.000 0.755 428 E HN 0.548 nan 8.360 nan 0.000 0.453 429 I N -1.206 119.118 120.570 -0.410 0.000 3.111 429 I HA -0.078 4.092 4.170 -0.000 0.000 0.272 429 I C 0.345 176.094 176.117 -0.613 0.000 1.268 429 I CA 0.995 61.954 61.300 -0.567 0.000 1.467 429 I CB -0.094 37.382 38.000 -0.874 0.000 1.087 429 I HN -0.034 nan 8.210 nan 0.000 0.467 430 F N 1.332 121.167 119.950 -0.191 0.000 2.668 430 F HA 0.499 5.026 4.527 -0.000 0.000 0.301 430 F C 2.280 178.037 175.800 -0.073 0.000 1.106 430 F CA 0.100 58.015 58.000 -0.143 0.000 1.289 430 F CB -0.140 38.696 39.000 -0.273 0.000 1.006 430 F HN 0.042 nan 8.300 nan 0.000 0.535 431 A N -0.535 122.316 122.820 0.052 0.000 1.986 431 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 431 A C 2.355 179.975 177.584 0.060 0.000 1.171 431 A CA 2.438 54.504 52.037 0.049 0.000 0.640 431 A CB -1.050 17.955 19.000 0.009 0.000 0.811 431 A HN 0.277 nan 8.150 nan 0.000 0.451 432 T N -2.161 112.431 114.554 0.063 0.000 3.113 432 T HA -0.012 4.338 4.350 -0.000 0.000 0.263 432 T C 1.572 176.312 174.700 0.067 0.000 1.143 432 T CA 1.809 63.944 62.100 0.059 0.000 1.090 432 T CB -0.299 68.603 68.868 0.056 0.000 0.922 432 T HN 0.470 nan 8.240 nan 0.000 0.521 433 T N -0.675 113.930 114.554 0.086 0.000 2.990 433 T HA 0.422 4.772 4.350 -0.000 0.000 0.249 433 T C 0.955 175.691 174.700 0.060 0.000 1.039 433 T CA 0.842 62.982 62.100 0.067 0.000 1.036 433 T CB 0.103 69.010 68.868 0.064 0.000 0.994 433 T HN 0.509 nan 8.240 nan 0.000 0.489 434 G N 0.147 108.993 108.800 0.076 0.000 2.245 434 G HA2 0.235 4.195 3.960 -0.000 0.000 0.130 434 G HA3 0.235 4.195 3.960 -0.000 0.000 0.130 434 G C 0.798 175.765 174.900 0.111 0.000 1.040 434 G CA 0.065 45.215 45.100 0.083 0.000 0.713 434 G HN 1.096 nan 8.290 nan 0.000 0.488 435 G N -2.333 106.544 108.800 0.128 0.000 2.143 435 G HA2 0.166 4.126 3.960 -0.000 0.000 0.248 435 G HA3 0.166 4.126 3.960 -0.000 0.000 0.248 435 G C 0.802 175.794 174.900 0.153 0.000 0.991 435 G CA 1.307 46.503 45.100 0.160 0.000 0.689 435 G HN 2.326 nan 8.290 nan 0.000 0.522 436 V N -3.601 116.348 119.914 0.059 0.000 3.007 436 V HA 0.909 5.029 4.120 -0.000 0.000 0.311 436 V C -2.630 173.195 176.094 -0.448 0.000 1.120 436 V CA -2.486 59.745 62.300 -0.116 0.000 0.980 436 V CB 2.515 34.325 31.823 -0.023 0.000 1.033 436 V HN 0.074 nan 8.190 nan 0.000 0.429 437 P HA 0.255 nan 4.420 nan 0.000 0.268 437 P C -0.248 176.855 177.300 -0.328 0.000 1.541 437 P CA 0.040 62.616 63.100 -0.872 0.000 1.093 437 P CB 0.821 31.930 31.700 -0.985 0.000 1.551 438 V N 6.828 126.629 119.914 -0.189 0.000 2.488 438 V HA 0.135 4.255 4.120 -0.000 0.000 0.277 438 V C -1.875 174.183 176.094 -0.061 0.000 1.046 438 V CA -1.815 60.426 62.300 -0.098 0.000 0.986 438 V CB 0.472 32.265 31.823 -0.051 0.000 0.989 438 V HN 0.355 nan 8.190 nan 0.000 0.475 439 P HA 0.163 nan 4.420 nan 0.000 0.261 439 P C -0.931 176.365 177.300 -0.006 0.000 1.203 439 P CA 0.314 63.403 63.100 -0.019 0.000 0.767 439 P CB 0.359 32.051 31.700 -0.013 0.000 0.785 440 D N 0.658 121.060 120.400 0.004 0.000 3.309 440 D HA 0.092 4.732 4.640 -0.000 0.000 0.335 440 D C 0.025 176.335 176.300 0.016 0.000 1.393 440 D CA -0.411 53.596 54.000 0.012 0.000 0.963 440 D CB -0.429 40.382 40.800 0.017 0.000 1.431 440 D HN 0.097 nan 8.370 nan 0.000 0.583 441 D N -1.823 118.590 120.400 0.020 0.000 2.371 441 D HA 0.063 4.703 4.640 -0.000 0.000 0.221 441 D C 1.284 177.598 176.300 0.023 0.000 0.986 441 D CA 0.829 54.841 54.000 0.020 0.000 0.899 441 D CB 0.294 41.106 40.800 0.020 0.000 0.902 441 D HN 0.211 nan 8.370 nan 0.000 0.530 442 R N -1.146 119.373 120.500 0.031 0.000 2.287 442 R HA 0.156 4.496 4.340 -0.000 0.000 0.197 442 R C 0.675 176.996 176.300 0.034 0.000 0.900 442 R CA 0.658 56.780 56.100 0.037 0.000 1.052 442 R CB 0.882 31.221 30.300 0.065 0.000 1.117 442 R HN 0.173 nan 8.270 nan 0.000 0.568 443 T N -2.512 112.063 114.554 0.035 0.000 2.804 443 T HA 0.344 4.694 4.350 -0.000 0.000 0.290 443 T C -0.262 174.454 174.700 0.026 0.000 1.099 443 T CA -0.735 61.385 62.100 0.034 0.000 1.011 443 T CB 2.585 71.462 68.868 0.014 0.000 1.291 443 T HN -0.064 nan 8.240 nan 0.000 0.523 444 E N -0.025 120.207 120.200 0.055 0.000 3.105 444 E HA 0.421 4.771 4.350 -0.000 0.000 0.198 444 E C 0.694 177.334 176.600 0.067 0.000 0.976 444 E CA -0.064 56.352 56.400 0.026 0.000 1.219 444 E CB 0.399 30.074 29.700 -0.043 0.000 1.081 444 E HN 1.177 nan 8.360 nan 0.000 0.464 445 G N 0.921 109.748 108.800 0.045 0.000 2.512 445 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.240 445 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.240 445 G C 0.024 175.001 174.900 0.128 0.000 1.246 445 G CA -0.048 45.061 45.100 0.016 0.000 0.919 445 G HN 0.235 nan 8.290 nan 0.000 0.577 446 T N -1.548 113.076 114.554 0.116 0.000 2.742 446 T HA 0.647 4.997 4.350 -0.000 0.000 0.282 446 T C -1.499 173.522 174.700 0.535 0.000 1.025 446 T CA 0.222 62.463 62.100 0.235 0.000 1.020 446 T CB 1.487 70.424 68.868 0.115 0.000 1.317 446 T HN 1.483 nan 8.240 nan 0.000 0.538 447 F N 3.486 123.625 119.950 0.316 0.000 2.427 447 F HA 0.409 4.936 4.527 -0.000 0.000 0.346 447 F C 1.474 177.382 175.800 0.181 0.000 1.120 447 F CA -2.139 55.965 58.000 0.175 0.000 1.033 447 F CB 0.533 39.215 39.000 -0.530 0.000 1.126 447 F HN 0.553 nan 8.300 nan 0.000 0.462 448 I N 2.042 122.437 120.570 -0.293 0.000 2.335 448 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 448 I C 0.761 176.508 176.117 -0.618 0.000 1.129 448 I CA 1.552 62.467 61.300 -0.641 0.000 1.402 448 I CB -0.510 37.258 38.000 -0.386 0.000 1.069 448 I HN 0.468 nan 8.210 nan 0.000 0.424 449 N N 0.524 118.550 118.700 -1.124 0.000 2.515 449 N HA 0.027 4.767 4.740 -0.000 0.000 0.191 449 N C -0.269 175.261 175.510 0.033 0.000 1.182 449 N CA 0.480 53.140 53.050 -0.650 0.000 0.879 449 N CB -0.299 37.685 38.487 -0.839 0.000 0.984 449 N HN 0.618 nan 8.380 nan 0.000 0.453 450 Y N 0.971 121.272 120.300 0.001 0.000 2.726 450 Y HA 0.280 4.830 4.550 -0.000 0.000 0.367 450 Y C -2.024 174.052 175.900 0.293 0.000 1.038 450 Y CA -2.389 55.929 58.100 0.364 0.000 1.174 450 Y CB 0.591 39.347 38.460 0.494 0.000 1.265 450 Y HN -0.074 nan 8.280 nan 0.000 0.622 451 P HA -0.020 nan 4.420 nan 0.000 0.268 451 P C -0.678 176.781 177.300 0.264 0.000 1.204 451 P CA 0.296 63.539 63.100 0.237 0.000 0.768 451 P CB 1.557 33.269 31.700 0.019 0.000 0.842 452 D N 2.263 122.858 120.400 0.325 0.000 2.386 452 D HA 0.067 4.707 4.640 -0.000 0.000 0.247 452 D C 0.333 176.726 176.300 0.154 0.000 1.336 452 D CA -0.628 53.465 54.000 0.156 0.000 0.976 452 D CB 1.139 41.960 40.800 0.035 0.000 1.257 452 D HN -0.072 nan 8.370 nan 0.000 0.570 453 V N 3.383 123.381 119.914 0.140 0.000 3.380 453 V HA -0.060 4.060 4.120 -0.000 0.000 0.268 453 V C 0.960 177.103 176.094 0.082 0.000 1.168 453 V CA 1.133 63.508 62.300 0.126 0.000 1.156 453 V CB -0.118 31.805 31.823 0.166 0.000 0.785 453 V HN 0.513 nan 8.190 nan 0.000 0.487 454 D N 0.016 120.440 120.400 0.040 0.000 2.309 454 D HA -0.102 4.538 4.640 -0.000 0.000 0.212 454 D C 1.958 178.291 176.300 0.055 0.000 0.968 454 D CA 0.924 54.931 54.000 0.010 0.000 0.882 454 D CB -0.017 40.671 40.800 -0.187 0.000 0.918 454 D HN 0.411 nan 8.370 nan 0.000 0.503 455 L N 0.260 121.520 121.223 0.062 0.000 2.362 455 L HA -0.074 4.266 4.340 -0.000 0.000 0.219 455 L C 1.614 178.559 176.870 0.124 0.000 1.134 455 L CA 0.497 55.393 54.840 0.094 0.000 0.807 455 L CB 0.082 42.213 42.059 0.119 0.000 0.927 455 L HN -0.057 nan 8.230 nan 0.000 0.447 456 V N -2.249 117.721 119.914 0.092 0.000 3.578 456 V HA 0.081 4.201 4.120 -0.000 0.000 0.290 456 V C 0.415 176.567 176.094 0.097 0.000 1.376 456 V CA -0.026 62.318 62.300 0.072 0.000 1.083 456 V CB 0.096 31.895 31.823 -0.041 0.000 0.911 456 V HN 0.240 nan 8.190 nan 0.000 0.433 457 D N 1.065 121.548 120.400 0.138 0.000 2.317 457 D HA 0.152 4.792 4.640 -0.000 0.000 0.234 457 D C 0.659 177.075 176.300 0.194 0.000 1.112 457 D CA -0.142 53.967 54.000 0.180 0.000 0.840 457 D CB 1.747 42.713 40.800 0.277 0.000 1.078 457 D HN 0.332 nan 8.370 nan 0.000 0.486 458 E N 2.358 122.637 120.200 0.131 0.000 2.285 458 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 458 E C 0.613 177.264 176.600 0.084 0.000 0.997 458 E CA 0.419 56.882 56.400 0.105 0.000 0.845 458 E CB 0.377 30.119 29.700 0.069 0.000 0.782 458 E HN 0.312 nan 8.360 nan 0.000 0.491 459 R N -0.275 120.254 120.500 0.049 0.000 4.779 459 R HA 0.046 4.386 4.340 -0.000 0.000 0.217 459 R C -0.374 175.778 176.300 -0.247 0.000 1.934 459 R CA 0.275 56.320 56.100 -0.093 0.000 1.623 459 R CB -0.120 30.097 30.300 -0.138 0.000 1.364 459 R HN 0.258 nan 8.270 nan 0.000 0.799 460 W N -1.974 119.347 121.300 0.034 0.000 4.485 460 W HA 0.090 4.750 4.660 -0.000 0.000 0.167 460 W C 0.063 176.610 176.519 0.046 0.000 3.472 460 W CA -0.334 57.034 57.345 0.039 0.000 1.139 460 W CB 0.220 29.707 29.460 0.045 0.000 2.114 460 W HN 0.075 nan 8.180 nan 0.000 0.351 461 N N -0.483 118.456 118.700 0.398 0.000 3.464 461 N HA 0.319 5.059 4.740 -0.000 0.000 0.335 461 N C -0.947 174.659 175.510 0.161 0.000 1.489 461 N CA 0.705 53.905 53.050 0.249 0.000 0.652 461 N CB -0.543 38.090 38.487 0.243 0.000 2.334 461 N HN -0.003 nan 8.380 nan 0.000 0.560 462 T N -0.946 113.679 114.554 0.118 0.000 3.247 462 T HA -0.153 4.197 4.350 -0.000 0.000 0.434 462 T C -0.609 174.124 174.700 0.055 0.000 0.770 462 T CA 0.186 62.328 62.100 0.069 0.000 2.236 462 T CB -2.045 66.868 68.868 0.075 0.000 1.678 462 T HN 0.371 nan 8.240 nan 0.000 0.645 463 S N 1.748 117.475 115.700 0.045 0.000 2.473 463 S HA 0.535 5.005 4.470 -0.000 0.000 0.312 463 S C 1.592 176.204 174.600 0.019 0.000 1.087 463 S CA 0.510 58.732 58.200 0.037 0.000 1.077 463 S CB 0.446 63.671 63.200 0.042 0.000 1.065 463 S HN 1.635 nan 8.310 nan 0.000 0.510 464 G N 2.533 111.342 108.800 0.015 0.000 2.268 464 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.240 464 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.240 464 G C 0.095 174.983 174.900 -0.020 0.000 1.010 464 G CA 0.010 45.112 45.100 0.005 0.000 0.618 464 G HN 0.670 nan 8.290 nan 0.000 0.516 465 V N 3.608 123.499 119.914 -0.038 0.000 2.439 465 V HA 0.566 4.686 4.120 -0.000 0.000 0.282 465 V C -1.341 174.665 176.094 -0.147 0.000 1.039 465 V CA -1.341 60.905 62.300 -0.090 0.000 0.913 465 V CB 1.521 33.295 31.823 -0.082 0.000 0.983 465 V HN 0.251 nan 8.190 nan 0.000 0.460 466 P HA 0.107 nan 4.420 nan 0.000 0.276 466 P C 0.790 177.798 177.300 -0.487 0.000 1.252 466 P CA -0.555 62.256 63.100 -0.481 0.000 0.802 466 P CB 0.583 31.617 31.700 -1.111 0.000 1.035 467 W N 1.939 123.012 121.300 -0.377 0.000 2.374 467 W HA -0.209 4.451 4.660 -0.000 0.000 0.288 467 W C 1.485 177.903 176.519 -0.169 0.000 1.218 467 W CA 1.151 58.374 57.345 -0.204 0.000 1.245 467 W CB -2.045 27.412 29.460 -0.004 0.000 1.126 467 W HN 0.457 nan 8.180 nan 0.000 0.545 468 Y N 0.967 120.466 120.300 -1.335 0.000 2.337 468 Y HA 0.085 4.635 4.550 -0.000 0.000 0.293 468 Y C 2.534 178.082 175.900 -0.587 0.000 1.123 468 Y CA 1.475 58.737 58.100 -1.397 0.000 1.201 468 Y CB -1.440 35.519 38.460 -2.502 0.000 1.011 468 Y HN -0.248 nan 8.280 nan 0.000 0.545 469 T N 2.177 116.497 114.554 -0.389 0.000 2.720 469 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 469 T C 1.900 176.529 174.700 -0.117 0.000 1.037 469 T CA 1.848 63.871 62.100 -0.129 0.000 1.144 469 T CB -0.500 68.267 68.868 -0.168 0.000 0.864 469 T HN 0.341 nan 8.240 nan 0.000 0.444 470 L N -0.824 120.270 121.223 -0.216 0.000 2.012 470 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 470 L C 2.330 179.083 176.870 -0.195 0.000 1.073 470 L CA 1.813 56.517 54.840 -0.226 0.000 0.748 470 L CB -0.525 41.334 42.059 -0.333 0.000 0.891 470 L HN 0.370 nan 8.230 nan 0.000 0.431 471 Y N -2.661 117.547 120.300 -0.153 0.000 2.397 471 Y HA -0.110 4.440 4.550 -0.000 0.000 0.292 471 Y C 1.530 177.237 175.900 -0.322 0.000 1.115 471 Y CA 0.510 58.441 58.100 -0.283 0.000 1.208 471 Y CB 0.357 38.485 38.460 -0.553 0.000 1.046 471 Y HN 0.070 nan 8.280 nan 0.000 0.552 472 Y N -1.231 119.193 120.300 0.206 0.000 2.527 472 Y HA 0.220 4.770 4.550 -0.000 0.000 0.247 472 Y C 0.749 176.723 175.900 0.123 0.000 1.138 472 Y CA -1.264 56.943 58.100 0.179 0.000 1.228 472 Y CB 0.019 38.618 38.460 0.231 0.000 1.252 472 Y HN -0.186 nan 8.280 nan 0.000 0.531 473 K N -0.250 120.267 120.400 0.195 0.000 2.102 473 K HA -0.299 4.021 4.320 -0.000 0.000 0.126 473 K C 1.594 178.296 176.600 0.169 0.000 1.412 473 K CA 1.262 57.629 56.287 0.133 0.000 0.569 473 K CB -1.453 31.098 32.500 0.086 0.000 0.531 473 K HN 0.413 nan 8.250 nan 0.000 0.961 474 G N 0.426 109.302 108.800 0.127 0.000 2.708 474 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.210 474 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.210 474 G C 0.845 175.821 174.900 0.126 0.000 1.141 474 G CA 0.916 46.086 45.100 0.115 0.000 0.788 474 G HN 0.346 nan 8.290 nan 0.000 0.531 475 N N -0.769 118.035 118.700 0.173 0.000 2.422 475 N HA 0.011 4.751 4.740 -0.000 0.000 0.181 475 N C 1.344 176.919 175.510 0.107 0.000 1.080 475 N CA -0.116 53.025 53.050 0.151 0.000 0.893 475 N CB -0.239 38.372 38.487 0.207 0.000 0.973 475 N HN 0.540 nan 8.380 nan 0.000 0.456 476 Y N 1.971 122.267 120.300 -0.006 0.000 2.165 476 Y HA -0.121 4.429 4.550 -0.000 0.000 0.286 476 Y C -0.807 174.990 175.900 -0.173 0.000 1.155 476 Y CA 1.434 59.450 58.100 -0.141 0.000 1.164 476 Y CB -0.654 37.726 38.460 -0.134 0.000 0.978 476 Y HN 0.136 nan 8.280 nan 0.000 0.513 477 P HA -0.181 nan 4.420 nan 0.000 0.215 477 P C 1.278 178.443 177.300 -0.226 0.000 1.157 477 P CA 1.653 64.624 63.100 -0.214 0.000 0.868 477 P CB -0.026 31.620 31.700 -0.091 0.000 0.788 478 R N -0.568 119.833 120.500 -0.165 0.000 2.127 478 R HA -0.042 4.298 4.340 -0.000 0.000 0.238 478 R C 2.294 178.481 176.300 -0.188 0.000 1.134 478 R CA 1.081 57.075 56.100 -0.177 0.000 0.975 478 R CB -1.544 28.642 30.300 -0.190 0.000 0.865 478 R HN 0.322 nan 8.270 nan 0.000 0.447 479 L N 0.655 121.748 121.223 -0.217 0.000 2.156 479 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 479 L C 2.541 179.296 176.870 -0.190 0.000 1.095 479 L CA 1.041 55.772 54.840 -0.183 0.000 0.770 479 L CB -0.314 41.594 42.059 -0.251 0.000 0.914 479 L HN 0.184 nan 8.230 nan 0.000 0.439 480 Q N 0.071 119.629 119.800 -0.403 0.000 2.124 480 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 480 Q C 2.113 178.027 176.000 -0.144 0.000 0.977 480 Q CA 1.401 56.992 55.803 -0.352 0.000 0.850 480 Q CB -0.040 28.422 28.738 -0.459 0.000 0.901 480 Q HN 0.479 nan 8.270 nan 0.000 0.429 481 K N -0.042 120.285 120.400 -0.121 0.000 2.155 481 K HA -0.065 4.255 4.320 -0.000 0.000 0.203 481 K C 2.058 178.678 176.600 0.034 0.000 1.052 481 K CA 0.878 57.132 56.287 -0.054 0.000 0.948 481 K CB 0.093 32.551 32.500 -0.071 0.000 0.728 481 K HN 0.011 nan 8.250 nan 0.000 0.448 482 V N 1.830 121.786 119.914 0.070 0.000 2.358 482 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 482 V C 2.292 178.587 176.094 0.334 0.000 1.047 482 V CA 1.739 64.172 62.300 0.222 0.000 1.035 482 V CB -0.390 31.474 31.823 0.068 0.000 0.658 482 V HN 0.247 nan 8.190 nan 0.000 0.452 483 K N 1.554 122.120 120.400 0.275 0.000 2.032 483 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 483 K C 2.007 178.698 176.600 0.150 0.000 1.048 483 K CA 2.039 58.456 56.287 0.217 0.000 0.927 483 K CB -0.786 31.732 32.500 0.031 0.000 0.712 483 K HN 0.380 nan 8.250 nan 0.000 0.441 484 A N 0.328 123.195 122.820 0.079 0.000 1.969 484 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 484 A C 2.197 179.792 177.584 0.018 0.000 1.169 484 A CA 1.523 53.578 52.037 0.031 0.000 0.635 484 A CB -0.380 18.615 19.000 -0.009 0.000 0.810 484 A HN 0.345 nan 8.150 nan 0.000 0.445 485 R N -2.135 118.390 120.500 0.040 0.000 2.066 485 R HA -0.014 4.326 4.340 -0.000 0.000 0.224 485 R C 1.710 177.911 176.300 -0.164 0.000 1.122 485 R CA 0.997 57.020 56.100 -0.128 0.000 0.974 485 R CB -0.108 30.057 30.300 -0.226 0.000 0.871 485 R HN 0.731 nan 8.270 nan 0.000 0.435 486 W N -0.369 120.980 121.300 0.080 0.000 3.114 486 W HA 0.103 4.763 4.660 -0.000 0.000 0.279 486 W C -0.041 176.562 176.519 0.140 0.000 1.277 486 W CA 0.035 57.443 57.345 0.105 0.000 1.630 486 W CB 0.540 30.074 29.460 0.124 0.000 1.087 486 W HN -0.029 nan 8.180 nan 0.000 0.637 487 D N -0.448 120.134 120.400 0.303 0.000 2.772 487 D HA 0.165 4.805 4.640 -0.000 0.000 0.326 487 D C -1.609 174.761 176.300 0.117 0.000 1.207 487 D CA -1.817 52.327 54.000 0.240 0.000 0.777 487 D CB 0.576 41.550 40.800 0.290 0.000 1.169 487 D HN -0.207 nan 8.370 nan 0.000 0.506 488 P HA -0.118 nan 4.420 nan 0.000 0.216 488 P C 0.975 178.279 177.300 0.007 0.000 1.150 488 P CA 0.748 63.859 63.100 0.018 0.000 0.837 488 P CB 0.206 31.900 31.700 -0.009 0.000 0.786 489 R N -0.481 120.022 120.500 0.005 0.000 2.319 489 R HA 0.010 4.350 4.340 -0.000 0.000 0.204 489 R C 0.129 176.405 176.300 -0.040 0.000 0.954 489 R CA 0.214 56.302 56.100 -0.021 0.000 1.066 489 R CB -0.930 29.352 30.300 -0.031 0.000 0.991 489 R HN 0.075 nan 8.270 nan 0.000 0.486 490 D N 0.385 120.771 120.400 -0.023 0.000 2.697 490 D HA -0.129 4.511 4.640 -0.000 0.000 0.238 490 D C 0.537 176.765 176.300 -0.120 0.000 1.152 490 D CA 0.274 54.247 54.000 -0.045 0.000 0.666 490 D CB -0.800 39.973 40.800 -0.044 0.000 1.037 490 D HN 0.007 nan 8.370 nan 0.000 0.423 491 V N -0.251 119.536 119.914 -0.211 0.000 2.649 491 V HA 0.060 4.180 4.120 -0.000 0.000 0.248 491 V C 1.090 176.757 176.094 -0.712 0.000 1.054 491 V CA 1.072 63.062 62.300 -0.516 0.000 1.073 491 V CB -0.187 31.206 31.823 -0.718 0.000 0.699 491 V HN 0.309 nan 8.190 nan 0.000 0.463 492 F N 0.803 120.735 119.950 -0.030 0.000 2.361 492 F HA 0.731 5.258 4.527 -0.000 0.000 0.364 492 F C 0.266 175.982 175.800 -0.140 0.000 1.117 492 F CA -0.401 57.568 58.000 -0.052 0.000 1.071 492 F CB 0.896 39.877 39.000 -0.031 0.000 1.188 492 F HN -0.107 nan 8.300 nan 0.000 0.464 493 R N 2.720 123.202 120.500 -0.031 0.000 2.733 493 R HA 0.566 4.906 4.340 -0.000 0.000 0.272 493 R C -1.496 174.680 176.300 -0.205 0.000 1.029 493 R CA -0.693 55.284 56.100 -0.205 0.000 0.888 493 R CB 2.105 32.315 30.300 -0.151 0.000 1.251 493 R HN 0.894 nan 8.270 nan 0.000 0.464 494 H N -1.099 117.848 119.070 -0.205 0.000 2.868 494 H HA 0.297 4.853 4.556 -0.000 0.000 0.278 494 H C -0.412 174.625 175.328 -0.486 0.000 1.454 494 H CA -0.245 55.579 56.048 -0.373 0.000 1.145 494 H CB 1.014 30.446 29.762 -0.550 0.000 1.808 494 H HN 0.614 nan 8.280 nan 0.000 0.500 495 A N 0.436 122.987 122.820 -0.449 0.000 1.917 495 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 495 A C 1.258 178.578 177.584 -0.440 0.000 1.182 495 A CA 1.955 53.753 52.037 -0.398 0.000 0.633 495 A CB -0.395 18.418 19.000 -0.313 0.000 0.819 495 A HN 0.257 nan 8.150 nan 0.000 0.448 496 L N 0.214 121.200 121.223 -0.394 0.000 3.108 496 L HA 0.350 4.690 4.340 -0.000 0.000 0.251 496 L C 0.487 177.167 176.870 -0.317 0.000 1.315 496 L CA 0.028 54.563 54.840 -0.509 0.000 1.048 496 L CB -0.190 41.772 42.059 -0.161 0.000 1.432 496 L HN 0.139 nan 8.230 nan 0.000 0.543 497 S N -0.276 115.214 115.700 -0.350 0.000 2.565 497 S HA 0.417 4.887 4.470 -0.000 0.000 0.274 497 S C 0.209 174.956 174.600 0.244 0.000 1.309 497 S CA -0.627 57.414 58.200 -0.265 0.000 1.043 497 S CB 1.054 63.963 63.200 -0.485 0.000 0.939 497 S HN 0.215 nan 8.310 nan 0.000 0.504 498 V N 4.010 124.059 119.914 0.225 0.000 2.599 498 V HA 0.426 4.546 4.120 -0.000 0.000 0.300 498 V C 0.156 176.305 176.094 0.093 0.000 1.034 498 V CA -0.175 62.277 62.300 0.254 0.000 1.115 498 V CB -0.119 31.667 31.823 -0.063 0.000 0.934 498 V HN 0.780 nan 8.190 nan 0.000 0.485 499 R N 5.318 125.914 120.500 0.159 0.000 2.604 499 R HA 0.564 4.904 4.340 -0.000 0.000 0.287 499 R C -2.530 173.744 176.300 -0.044 0.000 0.970 499 R CA -2.030 54.117 56.100 0.078 0.000 0.946 499 R CB 1.822 32.234 30.300 0.186 0.000 1.127 499 R HN 0.599 nan 8.270 nan 0.000 0.473 500 P HA 0.142 nan 4.420 nan 0.000 0.272 500 P C -2.458 174.811 177.300 -0.052 0.000 1.223 500 P CA -1.176 61.895 63.100 -0.049 0.000 0.784 500 P CB 0.012 31.699 31.700 -0.022 0.000 0.923 501 P HA 0.000 nan 4.420 nan 0.000 0.216 501 P CA 0.000 63.062 63.100 -0.063 0.000 0.800 501 P CB 0.000 31.652 31.700 -0.080 0.000 0.726