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 2jge_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGEX DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSA 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.626 176.600 0.044 0.000 1.382 4 E CA 0.000 56.420 56.400 0.033 0.000 0.976 4 E CB 0.000 29.719 29.700 0.031 0.000 0.812 5 D N 3.965 124.399 120.400 0.056 0.000 2.502 5 D HA 0.005 4.672 4.640 0.045 0.000 0.249 5 D C -1.470 174.879 176.300 0.081 0.000 1.188 5 D CA -1.311 52.739 54.000 0.083 0.000 0.890 5 D CB 1.324 42.195 40.800 0.118 0.000 1.140 5 D HN 0.243 nan 8.370 nan 0.000 0.505 6 P HA -0.053 nan 4.420 nan 0.000 0.229 6 P C 1.109 178.433 177.300 0.040 0.000 1.160 6 P CA 0.438 63.563 63.100 0.042 0.000 0.777 6 P CB 0.392 32.103 31.700 0.018 0.000 0.814 7 Q N -0.304 119.512 119.800 0.027 0.000 2.167 7 Q HA 0.001 4.369 4.340 0.045 0.000 0.202 7 Q C 1.759 177.851 176.000 0.155 0.000 0.970 7 Q CA 1.057 56.859 55.803 -0.002 0.000 0.855 7 Q CB -0.694 27.897 28.738 -0.246 0.000 0.911 7 Q HN 0.380 nan 8.270 nan 0.000 0.438 8 L N 0.116 121.442 121.223 0.173 0.000 2.627 8 L HA 0.117 4.484 4.340 0.045 0.000 0.232 8 L C 0.009 177.055 176.870 0.293 0.000 1.150 8 L CA -0.259 54.702 54.840 0.201 0.000 0.917 8 L CB 0.219 42.331 42.059 0.089 0.000 1.104 8 L HN 0.018 nan 8.230 nan 0.000 0.445 9 L N 0.464 121.819 121.223 0.221 0.000 2.349 9 L HA 0.595 4.962 4.340 0.045 0.000 0.278 9 L C -0.660 176.246 176.870 0.060 0.000 0.996 9 L CA -0.449 54.484 54.840 0.155 0.000 0.825 9 L CB 1.830 43.942 42.059 0.089 0.000 1.243 9 L HN -0.321 nan 8.230 nan 0.000 0.412 10 V N 4.681 124.590 119.914 -0.009 0.000 2.789 10 V HA 0.580 4.727 4.120 0.045 0.000 0.311 10 V C -0.458 175.550 176.094 -0.143 0.000 1.073 10 V CA -0.870 61.290 62.300 -0.233 0.000 0.921 10 V CB 2.270 33.671 31.823 -0.703 0.000 1.009 10 V HN 0.709 nan 8.190 nan 0.000 0.426 11 R N 3.155 123.555 120.500 -0.166 0.000 2.246 11 R HA 0.703 5.071 4.340 0.045 0.000 0.332 11 R C -0.561 175.653 176.300 -0.144 0.000 0.974 11 R CA -0.336 55.701 56.100 -0.105 0.000 0.837 11 R CB 1.411 31.658 30.300 -0.088 0.000 1.145 11 R HN 0.728 nan 8.270 nan 0.000 0.467 12 V N 1.820 121.698 119.914 -0.060 0.000 3.336 12 V HA 0.402 4.550 4.120 0.045 0.000 0.314 12 V C 1.383 177.412 176.094 -0.109 0.000 1.088 12 V CA -0.722 61.549 62.300 -0.049 0.000 1.033 12 V CB 1.407 33.348 31.823 0.196 0.000 1.181 12 V HN 0.835 nan 8.190 nan 0.000 0.449 13 R N 0.901 121.326 120.500 -0.125 0.000 2.127 13 R HA -0.065 4.302 4.340 0.045 0.000 0.238 13 R C 1.907 178.075 176.300 -0.220 0.000 1.134 13 R CA 1.693 57.706 56.100 -0.144 0.000 0.975 13 R CB -0.684 29.548 30.300 -0.114 0.000 0.865 13 R HN 0.989 nan 8.270 nan 0.000 0.447 14 G N -0.641 107.968 108.800 -0.318 0.000 3.141 14 G HA2 0.349 4.336 3.960 0.045 0.000 0.218 14 G HA3 0.349 4.336 3.960 0.045 0.000 0.218 14 G C 0.290 174.269 174.900 -1.536 0.000 1.170 14 G CA 0.453 45.097 45.100 -0.760 0.000 0.769 14 G HN 0.578 nan 8.290 nan 0.000 0.546 15 G N -0.726 107.518 108.800 -0.926 0.000 2.298 15 G HA2 0.019 4.006 3.960 0.045 0.000 0.309 15 G HA3 0.019 4.006 3.960 0.045 0.000 0.309 15 G C -0.979 173.863 174.900 -0.097 0.000 1.279 15 G CA -0.976 43.678 45.100 -0.743 0.000 1.042 15 G HN 0.342 nan 8.290 nan 0.000 0.480 16 Q N -0.494 119.439 119.800 0.223 0.000 2.235 16 Q HA 0.748 5.115 4.340 0.045 0.000 0.256 16 Q C -0.518 175.763 176.000 0.469 0.000 0.951 16 Q CA -0.509 55.465 55.803 0.285 0.000 0.890 16 Q CB 2.194 31.032 28.738 0.168 0.000 1.279 16 Q HN 0.508 nan 8.270 nan 0.000 0.444 17 L N 0.869 122.279 121.223 0.311 0.000 2.333 17 L HA 0.665 5.033 4.340 0.045 0.000 0.263 17 L C -0.525 176.499 176.870 0.256 0.000 1.014 17 L CA -0.907 54.109 54.840 0.293 0.000 0.820 17 L CB 2.241 44.499 42.059 0.331 0.000 1.352 17 L HN 0.481 nan 8.230 nan 0.000 0.421 18 R N 0.326 120.968 120.500 0.238 0.000 2.502 18 R HA 0.667 5.034 4.340 0.045 0.000 0.300 18 R C -0.414 175.996 176.300 0.184 0.000 0.984 18 R CA -0.362 55.867 56.100 0.215 0.000 0.882 18 R CB 1.744 32.111 30.300 0.112 0.000 1.180 18 R HN 0.813 nan 8.270 nan 0.000 0.444 19 G N 3.363 112.254 108.800 0.152 0.000 2.531 19 G HA2 0.438 4.426 3.960 0.045 0.000 0.281 19 G HA3 0.438 4.426 3.960 0.045 0.000 0.281 19 G C -0.851 173.907 174.900 -0.238 0.000 1.382 19 G CA -0.717 44.220 45.100 -0.271 0.000 1.045 19 G HN 0.602 nan 8.290 nan 0.000 0.533 20 I N -1.209 119.159 120.570 -0.337 0.000 2.730 20 I HA 0.551 4.748 4.170 0.045 0.000 0.298 20 I C -0.287 175.700 176.117 -0.217 0.000 1.089 20 I CA -1.167 60.001 61.300 -0.220 0.000 1.041 20 I CB 2.227 40.104 38.000 -0.205 0.000 1.235 20 I HN 0.435 nan 8.210 nan 0.000 0.423 21 R N 7.101 127.509 120.500 -0.153 0.000 2.234 21 R HA 0.558 4.925 4.340 0.045 0.000 0.324 21 R C -1.553 174.649 176.300 -0.163 0.000 1.054 21 R CA -0.338 55.661 56.100 -0.169 0.000 0.912 21 R CB 0.632 30.779 30.300 -0.256 0.000 1.030 21 R HN 0.639 nan 8.270 nan 0.000 0.455 22 L N 3.167 124.312 121.223 -0.131 0.000 2.334 22 L HA 0.482 4.849 4.340 0.045 0.000 0.270 22 L C 0.006 176.814 176.870 -0.104 0.000 1.018 22 L CA -0.924 53.855 54.840 -0.102 0.000 0.811 22 L CB 1.742 43.770 42.059 -0.053 0.000 1.271 22 L HN 0.463 nan 8.230 nan 0.000 0.443 23 K N 1.629 121.971 120.400 -0.097 0.000 2.263 23 K HA 0.634 4.981 4.320 0.045 0.000 0.272 23 K C -0.993 175.550 176.600 -0.094 0.000 1.033 23 K CA -0.354 55.880 56.287 -0.089 0.000 0.884 23 K CB 1.497 33.953 32.500 -0.072 0.000 1.107 23 K HN 0.706 nan 8.250 nan 0.000 0.460 24 A N 5.263 128.033 122.820 -0.084 0.000 2.312 24 A HA 0.456 4.803 4.320 0.045 0.000 0.328 24 A C -1.957 175.634 177.584 0.012 0.000 1.158 24 A CA -1.703 50.286 52.037 -0.080 0.000 0.821 24 A CB 0.710 19.652 19.000 -0.097 0.000 1.170 24 A HN 0.549 nan 8.150 nan 0.000 0.490 25 P HA -0.166 nan 4.420 nan 0.000 0.218 25 P C 1.167 178.501 177.300 0.056 0.000 1.150 25 P CA 2.224 65.377 63.100 0.088 0.000 0.841 25 P CB 0.263 32.046 31.700 0.139 0.000 0.784 26 G N -2.661 106.174 108.800 0.059 0.000 3.277 26 G HA2 0.498 4.485 3.960 0.045 0.000 0.243 26 G HA3 0.498 4.485 3.960 0.045 0.000 0.243 26 G C 0.397 175.318 174.900 0.035 0.000 1.107 26 G CA 0.367 45.494 45.100 0.045 0.000 0.771 26 G HN 0.590 nan 8.290 nan 0.000 0.544 27 G N -0.223 108.590 108.800 0.023 0.000 2.356 27 G HA2 0.367 4.354 3.960 0.045 0.000 0.300 27 G HA3 0.367 4.354 3.960 0.045 0.000 0.300 27 G C -3.397 171.497 174.900 -0.011 0.000 1.331 27 G CA -0.747 44.360 45.100 0.012 0.000 0.905 27 G HN 0.043 nan 8.290 nan 0.000 0.587 28 P HA 0.517 nan 4.420 nan 0.000 0.274 28 P C -0.066 177.249 177.300 0.025 0.000 1.231 28 P CA -0.192 62.845 63.100 -0.106 0.000 0.790 28 P CB 1.600 33.088 31.700 -0.354 0.000 0.951 29 V N -1.367 118.562 119.914 0.025 0.000 2.962 29 V HA 0.598 4.745 4.120 0.045 0.000 0.313 29 V C -0.270 175.904 176.094 0.133 0.000 1.099 29 V CA -0.944 61.444 62.300 0.146 0.000 0.971 29 V CB 1.729 33.640 31.823 0.147 0.000 1.028 29 V HN 0.440 nan 8.190 nan 0.000 0.430 30 S N 2.113 117.934 115.700 0.202 0.000 2.475 30 S HA 0.809 5.306 4.470 0.045 0.000 0.281 30 S C 0.127 174.622 174.600 -0.176 0.000 1.198 30 S CA -0.006 58.206 58.200 0.021 0.000 1.063 30 S CB 1.151 64.422 63.200 0.119 0.000 0.972 30 S HN 1.525 nan 8.310 nan 0.000 0.486 31 A N 2.914 125.460 122.820 -0.457 0.000 2.331 31 A HA 0.799 5.146 4.320 0.045 0.000 0.320 31 A C -1.015 176.064 177.584 -0.841 0.000 1.138 31 A CA -0.686 50.987 52.037 -0.607 0.000 0.790 31 A CB 0.353 19.026 19.000 -0.545 0.000 1.206 31 A HN 0.705 nan 8.150 nan 0.000 0.470 32 F N 2.959 122.746 119.950 -0.272 0.000 2.359 32 F HA 0.440 4.994 4.527 0.045 0.000 0.369 32 F C -0.215 175.413 175.800 -0.286 0.000 1.084 32 F CA -0.318 57.597 58.000 -0.142 0.000 1.096 32 F CB 1.058 40.131 39.000 0.122 0.000 1.335 32 F HN 0.333 nan 8.300 nan 0.000 0.457 33 L N 2.053 123.137 121.223 -0.231 0.000 2.322 33 L HA 0.744 5.111 4.340 0.045 0.000 0.279 33 L C 0.974 177.771 176.870 -0.121 0.000 1.036 33 L CA -0.964 53.709 54.840 -0.279 0.000 0.807 33 L CB 1.527 43.230 42.059 -0.593 0.000 1.226 33 L HN 0.817 nan 8.230 nan 0.000 0.433 34 G N 2.857 111.644 108.800 -0.022 0.000 2.182 34 G HA2 -0.243 3.744 3.960 0.045 0.000 0.248 34 G HA3 -0.243 3.744 3.960 0.045 0.000 0.248 34 G C -0.157 174.726 174.900 -0.027 0.000 1.042 34 G CA -0.400 44.652 45.100 -0.079 0.000 0.775 34 G HN 0.489 nan 8.290 nan 0.000 0.501 35 I N 2.128 122.726 120.570 0.048 0.000 2.396 35 I HA 0.247 4.444 4.170 0.045 0.000 0.289 35 I C -1.470 174.711 176.117 0.106 0.000 1.056 35 I CA -2.175 59.139 61.300 0.023 0.000 1.365 35 I CB 0.979 38.941 38.000 -0.064 0.000 1.407 35 I HN -0.042 nan 8.210 nan 0.000 0.509 36 P HA 0.013 nan 4.420 nan 0.000 0.271 36 P C -0.122 177.135 177.300 -0.071 0.000 1.226 36 P CA 0.029 63.109 63.100 -0.035 0.000 0.765 36 P CB 0.430 32.107 31.700 -0.038 0.000 0.835 37 F N 1.366 121.168 119.950 -0.247 0.000 2.704 37 F HA 0.699 5.253 4.527 0.045 0.000 0.304 37 F C 0.159 175.947 175.800 -0.020 0.000 1.094 37 F CA -0.714 57.184 58.000 -0.170 0.000 1.275 37 F CB 0.233 39.051 39.000 -0.304 0.000 1.073 37 F HN 0.313 nan 8.300 nan 0.000 0.586 38 A N 0.155 122.720 122.820 -0.425 0.000 2.572 38 A HA 0.528 4.875 4.320 0.045 0.000 0.295 38 A C -0.789 176.641 177.584 -0.256 0.000 1.072 38 A CA -0.813 51.055 52.037 -0.281 0.000 0.691 38 A CB 0.892 19.646 19.000 -0.410 0.000 1.291 38 A HN 0.061 nan 8.150 nan 0.000 0.404 39 E N 1.543 121.671 120.200 -0.119 0.000 2.529 39 E HA 0.116 4.493 4.350 0.045 0.000 0.259 39 E C -2.255 174.242 176.600 -0.172 0.000 0.966 39 E CA -0.869 55.469 56.400 -0.103 0.000 0.937 39 E CB -0.204 29.470 29.700 -0.044 0.000 0.923 39 E HN 0.251 nan 8.360 nan 0.000 0.468 40 P HA 0.005 nan 4.420 nan 0.000 0.261 40 P C -2.183 175.029 177.300 -0.146 0.000 1.183 40 P CA -0.812 62.175 63.100 -0.187 0.000 0.761 40 P CB -0.060 31.569 31.700 -0.119 0.000 0.785 41 P HA 0.007 nan 4.420 nan 0.000 0.225 41 P C -0.257 176.962 177.300 -0.135 0.000 1.768 41 P CA 0.109 63.131 63.100 -0.129 0.000 0.943 41 P CB -0.160 31.463 31.700 -0.127 0.000 1.936 42 V N -2.989 116.854 119.914 -0.120 0.000 3.096 42 V HA 0.895 5.043 4.120 0.045 0.000 0.319 42 V C 1.006 177.040 176.094 -0.100 0.000 1.103 42 V CA 0.022 62.248 62.300 -0.123 0.000 1.016 42 V CB 0.719 32.477 31.823 -0.108 0.000 1.090 42 V HN 0.525 nan 8.190 nan 0.000 0.449 43 G N 1.976 110.717 108.800 -0.098 0.000 2.611 43 G HA2 -0.355 3.632 3.960 0.045 0.000 0.301 43 G HA3 -0.355 3.632 3.960 0.045 0.000 0.301 43 G C 1.259 176.118 174.900 -0.069 0.000 1.233 43 G CA 1.765 46.822 45.100 -0.071 0.000 0.993 43 G HN 2.424 nan 8.290 nan 0.000 0.553 44 S N 0.326 116.003 115.700 -0.039 0.000 2.537 44 S HA -0.004 4.493 4.470 0.045 0.000 0.240 44 S C 1.940 176.525 174.600 -0.026 0.000 0.981 44 S CA 1.751 59.938 58.200 -0.020 0.000 0.948 44 S CB -0.082 63.116 63.200 -0.003 0.000 0.759 44 S HN 0.610 nan 8.310 nan 0.000 0.531 45 R N 0.985 121.454 120.500 -0.053 0.000 2.300 45 R HA 0.252 4.619 4.340 0.045 0.000 0.199 45 R C 0.855 177.096 176.300 -0.099 0.000 0.920 45 R CA -0.107 55.960 56.100 -0.056 0.000 1.046 45 R CB -0.456 29.811 30.300 -0.056 0.000 0.984 45 R HN 0.524 nan 8.270 nan 0.000 0.493 46 R N 0.732 121.122 120.500 -0.183 0.000 2.585 46 R HA -0.125 4.242 4.340 0.045 0.000 0.275 46 R C -0.238 175.847 176.300 -0.358 0.000 1.018 46 R CA 0.487 56.350 56.100 -0.396 0.000 1.072 46 R CB 0.080 29.997 30.300 -0.639 0.000 0.953 46 R HN 0.067 nan 8.270 nan 0.000 0.419 47 F N -0.641 119.317 119.950 0.014 0.000 2.748 47 F HA -0.298 4.256 4.527 0.045 0.000 0.370 47 F C -0.065 175.720 175.800 -0.025 0.000 0.620 47 F CA 0.653 58.638 58.000 -0.025 0.000 1.233 47 F CB -1.712 37.264 39.000 -0.040 0.000 1.708 47 F HN 0.472 nan 8.300 nan 0.000 0.298 48 M N 0.206 119.861 119.600 0.092 0.000 2.644 48 M HA 0.467 4.974 4.480 0.045 0.000 0.316 48 M C -2.158 174.164 176.300 0.036 0.000 1.200 48 M CA -1.605 53.734 55.300 0.065 0.000 0.944 48 M CB 1.568 34.197 32.600 0.049 0.000 1.691 48 M HN -0.406 nan 8.290 nan 0.000 0.471 49 P HA 0.062 nan 4.420 nan 0.000 0.265 49 P C -2.436 174.887 177.300 0.040 0.000 1.187 49 P CA -0.444 62.685 63.100 0.049 0.000 0.766 49 P CB -0.511 31.228 31.700 0.064 0.000 0.820 50 P HA 0.114 nan 4.420 nan 0.000 0.271 50 P C -0.583 176.746 177.300 0.049 0.000 1.218 50 P CA 0.222 63.342 63.100 0.033 0.000 0.780 50 P CB 0.902 32.644 31.700 0.071 0.000 0.901 51 E N 3.037 123.252 120.200 0.025 0.000 2.207 51 E HA 0.373 4.750 4.350 0.045 0.000 0.270 51 E C -2.203 174.431 176.600 0.057 0.000 0.927 51 E CA -2.506 53.922 56.400 0.046 0.000 0.799 51 E CB 0.681 30.400 29.700 0.032 0.000 1.172 51 E HN 0.382 nan 8.360 nan 0.000 0.404 52 P HA -0.096 nan 4.420 nan 0.000 0.265 52 P C -0.587 176.781 177.300 0.114 0.000 1.187 52 P CA -0.002 63.179 63.100 0.135 0.000 0.766 52 P CB 0.456 32.240 31.700 0.140 0.000 0.820 53 K N 3.917 124.408 120.400 0.152 0.000 2.412 53 K HA 0.032 4.379 4.320 0.045 0.000 0.281 53 K C 0.203 176.923 176.600 0.200 0.000 1.027 53 K CA 0.183 56.568 56.287 0.163 0.000 0.989 53 K CB 0.136 32.772 32.500 0.227 0.000 0.935 53 K HN 0.261 nan 8.250 nan 0.000 0.475 54 R N 5.256 125.855 120.500 0.165 0.000 2.590 54 R HA 0.123 4.490 4.340 0.045 0.000 0.274 54 R C -1.979 174.446 176.300 0.208 0.000 1.061 54 R CA -1.571 54.615 56.100 0.144 0.000 1.081 54 R CB -0.055 30.310 30.300 0.108 0.000 0.984 54 R HN 0.588 nan 8.270 nan 0.000 0.448 55 P HA -0.141 nan 4.420 nan 0.000 0.267 55 P C -1.146 176.200 177.300 0.078 0.000 1.195 55 P CA 0.431 63.474 63.100 -0.095 0.000 0.773 55 P CB 0.287 31.910 31.700 -0.128 0.000 0.837 56 W N 0.517 121.852 121.300 0.059 0.000 2.902 56 W HA 0.685 5.373 4.660 0.045 0.000 0.346 56 W C -0.702 175.843 176.519 0.042 0.000 1.139 56 W CA -1.027 56.348 57.345 0.051 0.000 1.139 56 W CB 0.084 29.581 29.460 0.062 0.000 1.439 56 W HN 0.386 nan 8.180 nan 0.000 0.558 57 S N 1.357 117.232 115.700 0.291 0.000 2.646 57 S HA 0.780 5.277 4.470 0.045 0.000 0.276 57 S C 0.688 175.435 174.600 0.245 0.000 1.222 57 S CA 0.146 58.448 58.200 0.170 0.000 1.014 57 S CB 0.818 64.089 63.200 0.119 0.000 0.991 57 S HN 2.192 nan 8.310 nan 0.000 0.533 58 G N 0.412 109.304 108.800 0.153 0.000 2.574 58 G HA2 -0.200 3.787 3.960 0.045 0.000 0.282 58 G HA3 -0.200 3.787 3.960 0.045 0.000 0.282 58 G C -0.510 174.524 174.900 0.223 0.000 1.257 58 G CA -0.024 45.167 45.100 0.152 0.000 0.956 58 G HN 1.730 nan 8.290 nan 0.000 0.560 59 V N 0.717 120.739 119.914 0.179 0.000 2.350 59 V HA 0.529 4.676 4.120 0.045 0.000 0.285 59 V C 0.398 176.572 176.094 0.133 0.000 1.014 59 V CA -0.419 61.992 62.300 0.184 0.000 0.831 59 V CB 1.183 33.077 31.823 0.118 0.000 1.000 59 V HN 0.817 nan 8.190 nan 0.000 0.433 60 L N 4.350 125.653 121.223 0.133 0.000 2.367 60 L HA 0.382 4.749 4.340 0.045 0.000 0.275 60 L C 0.284 177.128 176.870 -0.043 0.000 1.129 60 L CA 0.276 55.058 54.840 -0.097 0.000 0.839 60 L CB 0.891 42.644 42.059 -0.509 0.000 1.133 60 L HN 0.787 nan 8.230 nan 0.000 0.453 61 D N 4.491 124.848 120.400 -0.072 0.000 2.336 61 D HA 0.401 5.069 4.640 0.045 0.000 0.249 61 D C -0.275 175.981 176.300 -0.074 0.000 1.213 61 D CA 0.181 54.150 54.000 -0.051 0.000 0.870 61 D CB 0.967 41.731 40.800 -0.061 0.000 1.076 61 D HN 0.654 nan 8.370 nan 0.000 0.483 62 A N 3.384 126.191 122.820 -0.022 0.000 3.201 62 A HA 0.331 4.678 4.320 0.045 0.000 0.312 62 A C 0.809 178.343 177.584 -0.083 0.000 1.011 62 A CA -0.272 51.753 52.037 -0.020 0.000 0.987 62 A CB -0.173 18.906 19.000 0.130 0.000 1.060 62 A HN 0.586 nan 8.150 nan 0.000 0.505 63 T N -4.058 110.411 114.554 -0.142 0.000 3.040 63 T HA 0.327 4.705 4.350 0.045 0.000 0.266 63 T C 0.437 174.983 174.700 -0.258 0.000 1.005 63 T CA 0.490 62.469 62.100 -0.200 0.000 0.906 63 T CB 0.307 69.087 68.868 -0.148 0.000 1.082 63 T HN 0.308 nan 8.240 nan 0.000 0.531 64 T N 0.946 115.349 114.554 -0.251 0.000 2.909 64 T HA 0.607 4.984 4.350 0.045 0.000 0.299 64 T C -1.531 173.028 174.700 -0.235 0.000 1.073 64 T CA -0.709 61.237 62.100 -0.258 0.000 0.999 64 T CB 0.704 69.477 68.868 -0.158 0.000 1.098 64 T HN 0.089 nan 8.240 nan 0.000 0.477 65 F N 3.336 123.218 119.950 -0.113 0.000 2.529 65 F HA 0.313 4.867 4.527 0.045 0.000 0.365 65 F C 1.370 177.077 175.800 -0.154 0.000 1.102 65 F CA -0.186 57.751 58.000 -0.106 0.000 1.271 65 F CB 0.570 39.537 39.000 -0.055 0.000 1.120 65 F HN 0.415 nan 8.300 nan 0.000 0.579 66 Q N 1.649 121.476 119.800 0.044 0.000 2.272 66 Q HA 0.164 4.531 4.340 0.045 0.000 0.192 66 Q C -0.090 175.873 176.000 -0.062 0.000 1.059 66 Q CA -0.568 55.121 55.803 -0.190 0.000 1.084 66 Q CB 0.472 28.829 28.738 -0.634 0.000 1.139 66 Q HN 0.497 nan 8.270 nan 0.000 0.593 67 N N -0.231 118.424 118.700 -0.074 0.000 2.441 67 N HA 0.024 4.791 4.740 0.045 0.000 0.251 67 N C -0.555 174.964 175.510 0.014 0.000 1.242 67 N CA 0.067 53.109 53.050 -0.013 0.000 0.898 67 N CB 0.412 38.904 38.487 0.009 0.000 1.100 67 N HN 0.175 nan 8.380 nan 0.000 0.443 68 V N 1.889 121.780 119.914 -0.038 0.000 2.637 68 V HA 0.007 4.154 4.120 0.045 0.000 0.296 68 V C 0.862 176.927 176.094 -0.048 0.000 1.046 68 V CA -0.703 61.556 62.300 -0.068 0.000 1.066 68 V CB 0.600 32.346 31.823 -0.128 0.000 0.968 68 V HN 0.692 nan 8.190 nan 0.000 0.483 69 c N 4.397 122.975 118.600 -0.036 0.000 2.679 69 c HA 0.081 4.678 4.570 0.045 0.000 0.417 69 c C 0.495 174.556 174.090 -0.049 0.000 1.302 69 c CA -0.491 55.822 56.329 -0.027 0.000 1.973 69 c CB -0.873 41.643 42.510 0.011 0.000 2.715 69 c HN 0.754 nan 8.230 nan 0.000 0.628 70 Y N 4.063 124.234 120.300 -0.215 0.000 2.650 70 Y HA 0.279 4.856 4.550 0.046 0.000 0.331 70 Y C 0.704 176.651 175.900 0.079 0.000 1.165 70 Y CA 0.921 58.893 58.100 -0.214 0.000 1.473 70 Y CB 0.026 38.114 38.460 -0.620 0.000 1.224 70 Y HN 0.733 nan 8.280 nan 0.000 0.533 71 Q N 4.508 124.195 119.800 -0.188 0.000 2.482 71 Q HA 0.227 4.594 4.340 0.045 0.000 0.286 71 Q C -1.764 174.301 176.000 0.109 0.000 1.007 71 Q CA -1.231 54.655 55.803 0.138 0.000 0.801 71 Q CB 1.296 30.114 28.738 0.133 0.000 1.455 71 Q HN 0.666 nan 8.270 nan 0.000 0.398 72 Y N 1.391 121.831 120.300 0.233 0.000 2.712 72 Y HA 0.294 4.871 4.550 0.045 0.000 0.333 72 Y C -0.939 175.100 175.900 0.232 0.000 1.225 72 Y CA 0.319 58.587 58.100 0.279 0.000 1.499 72 Y CB 0.766 39.514 38.460 0.480 0.000 1.288 72 Y HN 0.435 nan 8.280 nan 0.000 0.575 73 V N 6.407 126.012 119.914 -0.515 0.000 2.483 73 V HA 0.156 4.303 4.120 0.045 0.000 0.295 73 V C -0.402 175.343 176.094 -0.581 0.000 1.035 73 V CA -1.032 61.056 62.300 -0.354 0.000 0.896 73 V CB 1.547 33.234 31.823 -0.226 0.000 0.986 73 V HN 0.752 nan 8.190 nan 0.000 0.447 74 D N 3.036 123.358 120.400 -0.130 0.000 2.304 74 D HA 0.399 5.067 4.640 0.045 0.000 0.250 74 D C 0.541 176.874 176.300 0.056 0.000 1.107 74 D CA 0.086 54.134 54.000 0.079 0.000 0.885 74 D CB 1.414 42.435 40.800 0.369 0.000 1.192 74 D HN 0.771 nan 8.370 nan 0.000 0.436 75 T N 1.582 116.176 114.554 0.067 0.000 3.748 75 T HA 0.121 4.498 4.350 0.045 0.000 0.281 75 T C 0.919 175.609 174.700 -0.017 0.000 0.977 75 T CA -0.531 61.583 62.100 0.024 0.000 1.056 75 T CB -0.362 68.496 68.868 -0.017 0.000 1.138 75 T HN 0.245 nan 8.240 nan 0.000 0.498 76 L N 0.355 121.549 121.223 -0.049 0.000 2.162 76 L HA 0.458 4.826 4.340 0.045 0.000 0.205 76 L C -0.436 176.094 176.870 -0.567 0.000 1.086 76 L CA 1.204 55.821 54.840 -0.372 0.000 0.778 76 L CB 0.084 41.773 42.059 -0.617 0.000 0.928 76 L HN 0.487 nan 8.230 nan 0.000 0.446 77 Y N -0.015 120.292 120.300 0.011 0.000 2.662 77 Y HA 0.428 5.006 4.550 0.045 0.000 0.358 77 Y C -2.282 173.652 175.900 0.057 0.000 1.041 77 Y CA -3.421 54.675 58.100 -0.007 0.000 1.184 77 Y CB -0.099 38.330 38.460 -0.052 0.000 1.114 77 Y HN 0.030 nan 8.280 nan 0.000 0.650 78 P HA 0.130 nan 4.420 nan 0.000 0.264 78 P C 0.974 178.332 177.300 0.098 0.000 1.193 78 P CA 1.185 64.338 63.100 0.088 0.000 0.763 78 P CB 0.787 32.510 31.700 0.039 0.000 0.810 79 G N 2.232 111.078 108.800 0.076 0.000 2.155 79 G HA2 -0.286 3.701 3.960 0.045 0.000 0.257 79 G HA3 -0.286 3.701 3.960 0.045 0.000 0.257 79 G C -0.140 174.808 174.900 0.081 0.000 0.983 79 G CA -0.368 44.761 45.100 0.047 0.000 0.676 79 G HN 0.534 nan 8.290 nan 0.000 0.528 80 F N 1.179 121.091 119.950 -0.063 0.000 2.411 80 F HA 0.664 5.218 4.527 0.045 0.000 0.355 80 F C 1.205 176.911 175.800 -0.155 0.000 1.117 80 F CA -1.160 56.755 58.000 -0.141 0.000 1.139 80 F CB 1.498 40.382 39.000 -0.193 0.000 1.120 80 F HN 0.042 nan 8.300 nan 0.000 0.493 81 E N 3.773 123.553 120.200 -0.699 0.000 2.160 81 E HA -0.073 4.304 4.350 0.045 0.000 0.195 81 E C 2.205 178.320 176.600 -0.808 0.000 0.991 81 E CA 1.798 57.821 56.400 -0.629 0.000 0.810 81 E CB -0.464 28.958 29.700 -0.463 0.000 0.742 81 E HN 0.909 nan 8.360 nan 0.000 0.466 82 G N -0.930 106.886 108.800 -1.639 0.000 2.448 82 G HA2 -0.262 3.725 3.960 0.045 0.000 0.219 82 G HA3 -0.262 3.725 3.960 0.045 0.000 0.219 82 G C 1.634 176.475 174.900 -0.098 0.000 1.127 82 G CA 1.595 46.031 45.100 -1.106 0.000 0.766 82 G HN 0.485 nan 8.290 nan 0.000 0.552 83 T N -2.252 112.228 114.554 -0.123 0.000 3.042 83 T HA 0.138 4.515 4.350 0.045 0.000 0.245 83 T C 1.858 176.691 174.700 0.223 0.000 1.029 83 T CA 0.604 62.951 62.100 0.411 0.000 1.120 83 T CB 0.056 69.238 68.868 0.523 0.000 0.917 83 T HN 0.132 nan 8.240 nan 0.000 0.467 84 E N 2.245 122.437 120.200 -0.013 0.000 2.268 84 E HA -0.076 4.301 4.350 0.045 0.000 0.195 84 E C 2.189 178.694 176.600 -0.157 0.000 0.995 84 E CA 1.199 57.565 56.400 -0.056 0.000 0.836 84 E CB -0.465 29.173 29.700 -0.102 0.000 0.763 84 E HN 0.798 nan 8.360 nan 0.000 0.491 85 M N -2.390 117.020 119.600 -0.316 0.000 2.460 85 M HA -0.059 4.448 4.480 0.045 0.000 0.263 85 M C 1.220 177.105 176.300 -0.691 0.000 1.071 85 M CA 1.389 56.338 55.300 -0.586 0.000 1.096 85 M CB -0.461 31.665 32.600 -0.789 0.000 1.408 85 M HN 0.001 nan 8.290 nan 0.000 0.463 86 W N 0.680 121.932 121.300 -0.081 0.000 3.107 86 W HA 0.301 4.987 4.660 0.045 0.000 0.293 86 W C 0.417 176.878 176.519 -0.096 0.000 1.239 86 W CA -1.003 56.282 57.345 -0.100 0.000 1.653 86 W CB -0.119 29.331 29.460 -0.017 0.000 1.068 86 W HN 0.077 nan 8.180 nan 0.000 0.615 87 N N 1.964 120.712 118.700 0.080 0.000 2.453 87 N HA 0.074 4.842 4.740 0.045 0.000 0.253 87 N C -2.410 173.056 175.510 -0.073 0.000 1.252 87 N CA -1.081 51.978 53.050 0.014 0.000 0.917 87 N CB -0.141 38.346 38.487 -0.000 0.000 1.117 87 N HN -0.299 nan 8.380 nan 0.000 0.442 88 P HA 0.081 nan 4.420 nan 0.000 0.267 88 P C -0.049 177.177 177.300 -0.124 0.000 1.205 88 P CA 0.143 63.166 63.100 -0.128 0.000 0.765 88 P CB 0.094 31.715 31.700 -0.131 0.000 0.828 89 N N 1.557 120.171 118.700 -0.143 0.000 2.204 89 N HA 0.113 4.880 4.740 0.045 0.000 0.219 89 N C 0.275 175.730 175.510 -0.092 0.000 1.151 89 N CA -0.624 52.353 53.050 -0.123 0.000 0.867 89 N CB 0.428 38.826 38.487 -0.148 0.000 1.043 89 N HN 0.086 nan 8.380 nan 0.000 0.516 90 R N 0.392 120.836 120.500 -0.093 0.000 2.885 90 R HA 0.318 4.685 4.340 0.045 0.000 0.260 90 R C -0.899 175.361 176.300 -0.066 0.000 1.107 90 R CA -0.794 55.269 56.100 -0.062 0.000 0.978 90 R CB 0.480 30.751 30.300 -0.049 0.000 1.227 90 R HN 0.092 nan 8.270 nan 0.000 0.473 91 E N 0.902 121.073 120.200 -0.048 0.000 2.384 91 E HA 0.135 4.512 4.350 0.045 0.000 0.266 91 E C -0.332 176.242 176.600 -0.043 0.000 1.012 91 E CA 0.052 56.428 56.400 -0.040 0.000 0.901 91 E CB 0.431 30.116 29.700 -0.025 0.000 0.967 91 E HN 0.255 nan 8.360 nan 0.000 0.435 92 L N 2.823 124.018 121.223 -0.048 0.000 2.417 92 L HA 0.347 4.715 4.340 0.045 0.000 0.268 92 L C 0.263 177.184 176.870 0.085 0.000 1.158 92 L CA -0.071 54.734 54.840 -0.058 0.000 0.819 92 L CB 0.926 42.830 42.059 -0.259 0.000 1.112 92 L HN 0.452 nan 8.230 nan 0.000 0.458 93 S N 0.638 116.403 115.700 0.109 0.000 2.556 93 S HA 0.154 4.651 4.470 0.045 0.000 0.280 93 S C 0.149 174.737 174.600 -0.021 0.000 1.141 93 S CA -0.703 57.542 58.200 0.075 0.000 0.883 93 S CB 1.430 64.645 63.200 0.025 0.000 1.103 93 S HN 0.747 nan 8.310 nan 0.000 0.453 94 E N 1.104 121.212 120.200 -0.154 0.000 2.268 94 E HA -0.080 4.297 4.350 0.045 0.000 0.195 94 E C -0.215 176.288 176.600 -0.161 0.000 0.995 94 E CA 0.629 56.866 56.400 -0.272 0.000 0.836 94 E CB 0.066 29.539 29.700 -0.378 0.000 0.763 94 E HN 0.568 nan 8.360 nan 0.000 0.491 95 D N 0.383 120.730 120.400 -0.089 0.000 2.453 95 D HA 0.005 4.672 4.640 0.045 0.000 0.223 95 D C 0.049 176.393 176.300 0.072 0.000 1.183 95 D CA -0.389 53.585 54.000 -0.044 0.000 0.933 95 D CB 0.048 40.845 40.800 -0.005 0.000 1.038 95 D HN 0.125 nan 8.370 nan 0.000 0.513 96 c N 2.453 121.039 118.600 -0.023 0.000 3.935 96 c HA 0.351 4.948 4.570 0.045 0.000 0.301 96 c C 0.664 174.707 174.090 -0.078 0.000 1.874 96 c CA -0.668 55.722 56.329 0.102 0.000 1.723 96 c CB -1.280 41.262 42.510 0.054 0.000 3.192 96 c HN 0.460 nan 8.230 nan 0.000 0.577 97 L N 2.601 123.491 121.223 -0.556 0.000 2.415 97 L HA 0.356 4.723 4.340 0.045 0.000 0.269 97 L C -0.947 175.189 176.870 -1.222 0.000 1.244 97 L CA 0.653 54.978 54.840 -0.859 0.000 1.113 97 L CB -0.755 40.699 42.059 -1.008 0.000 1.352 97 L HN 0.392 nan 8.230 nan 0.000 0.433 98 Y N 1.750 121.998 120.300 -0.087 0.000 2.512 98 Y HA 0.610 5.187 4.550 0.045 0.000 0.348 98 Y C -0.058 176.042 175.900 0.334 0.000 0.990 98 Y CA -1.299 56.847 58.100 0.076 0.000 1.033 98 Y CB 1.922 40.384 38.460 0.004 0.000 1.259 98 Y HN 0.189 nan 8.280 nan 0.000 0.461 99 L N -0.149 121.282 121.223 0.346 0.000 2.301 99 L HA 0.780 5.147 4.340 0.045 0.000 0.264 99 L C -1.301 175.596 176.870 0.045 0.000 1.016 99 L CA -1.245 53.673 54.840 0.129 0.000 0.821 99 L CB 1.740 43.709 42.059 -0.151 0.000 1.346 99 L HN 0.583 nan 8.230 nan 0.000 0.429 100 N N -0.581 118.155 118.700 0.059 0.000 2.272 100 N HA 0.827 5.594 4.740 0.045 0.000 0.305 100 N C -1.612 173.848 175.510 -0.084 0.000 1.103 100 N CA -0.898 52.111 53.050 -0.069 0.000 0.791 100 N CB 2.801 41.239 38.487 -0.082 0.000 1.356 100 N HN 0.454 nan 8.380 nan 0.000 0.486 101 V N 1.171 120.964 119.914 -0.201 0.000 2.638 101 V HA 0.431 4.578 4.120 0.045 0.000 0.306 101 V C -1.019 175.042 176.094 -0.055 0.000 1.052 101 V CA -0.715 61.574 62.300 -0.019 0.000 0.885 101 V CB 1.520 33.243 31.823 -0.167 0.000 0.999 101 V HN 0.632 nan 8.190 nan 0.000 0.424 102 W N 2.899 124.322 121.300 0.205 0.000 2.573 102 W HA 0.678 5.365 4.660 0.046 0.000 0.326 102 W C 0.187 176.832 176.519 0.209 0.000 1.049 102 W CA -0.439 57.015 57.345 0.182 0.000 1.220 102 W CB 2.459 31.998 29.460 0.131 0.000 1.373 102 W HN 0.665 nan 8.180 nan 0.000 0.507 103 T N -0.052 114.764 114.554 0.437 0.000 2.887 103 T HA 0.572 4.950 4.350 0.045 0.000 0.292 103 T C -2.823 172.049 174.700 0.288 0.000 1.087 103 T CA -2.522 59.789 62.100 0.352 0.000 1.009 103 T CB 2.185 71.287 68.868 0.389 0.000 1.203 103 T HN -0.079 nan 8.240 nan 0.000 0.518 104 P HA 0.220 nan 4.420 nan 0.000 0.269 104 P C -1.584 175.843 177.300 0.211 0.000 1.215 104 P CA -0.199 63.016 63.100 0.192 0.000 0.780 104 P CB 0.078 31.863 31.700 0.141 0.000 0.898 105 Y N 3.604 123.956 120.300 0.087 0.000 2.345 105 Y HA 0.401 4.978 4.550 0.045 0.000 0.331 105 Y C -2.091 173.841 175.900 0.055 0.000 0.959 105 Y CA -2.411 55.731 58.100 0.069 0.000 1.204 105 Y CB 0.973 39.459 38.460 0.044 0.000 1.135 105 Y HN 0.345 nan 8.280 nan 0.000 0.477 106 P HA 0.252 nan 4.420 nan 0.000 0.276 106 P C -0.930 176.309 177.300 -0.102 0.000 1.252 106 P CA -0.522 62.364 63.100 -0.357 0.000 0.802 106 P CB 1.080 32.620 31.700 -0.267 0.000 1.035 107 R N 1.078 121.527 120.500 -0.086 0.000 2.538 107 R HA 0.139 4.506 4.340 0.045 0.000 0.282 107 R C -1.833 174.486 176.300 0.033 0.000 1.009 107 R CA -0.966 55.156 56.100 0.036 0.000 1.063 107 R CB -0.978 29.355 30.300 0.056 0.000 0.945 107 R HN 0.424 nan 8.270 nan 0.000 0.414 108 P HA -0.097 nan 4.420 nan 0.000 0.266 108 P C 0.053 177.373 177.300 0.033 0.000 1.193 108 P CA 0.308 63.440 63.100 0.054 0.000 0.770 108 P CB 0.685 32.430 31.700 0.074 0.000 0.836 109 A N 2.472 125.306 122.820 0.023 0.000 1.854 109 A HA -0.013 4.335 4.320 0.045 0.000 0.214 109 A C 1.017 178.608 177.584 0.013 0.000 1.192 109 A CA 1.601 53.645 52.037 0.012 0.000 0.611 109 A CB -0.997 18.008 19.000 0.009 0.000 0.832 109 A HN 0.646 nan 8.150 nan 0.000 0.442 110 S N -0.596 115.115 115.700 0.018 0.000 2.690 110 S HA 0.578 5.075 4.470 0.045 0.000 0.291 110 S C -2.982 171.632 174.600 0.024 0.000 1.138 110 S CA -1.798 56.411 58.200 0.015 0.000 1.013 110 S CB 0.652 63.858 63.200 0.010 0.000 1.053 110 S HN 0.056 nan 8.310 nan 0.000 0.539 111 P HA 0.111 nan 4.420 nan 0.000 0.258 111 P C -0.669 176.650 177.300 0.030 0.000 1.172 111 P CA 0.499 63.615 63.100 0.027 0.000 0.762 111 P CB -0.061 31.646 31.700 0.012 0.000 0.764 112 T N 5.609 120.193 114.554 0.050 0.000 2.824 112 T HA 0.390 4.768 4.350 0.045 0.000 0.280 112 T C -2.424 172.309 174.700 0.055 0.000 0.995 112 T CA -2.038 60.094 62.100 0.053 0.000 1.009 112 T CB 0.873 69.788 68.868 0.077 0.000 0.955 112 T HN 0.120 nan 8.240 nan 0.000 0.452 113 P HA 0.051 nan 4.420 nan 0.000 0.263 113 P C -0.828 176.515 177.300 0.072 0.000 1.168 113 P CA -0.006 63.117 63.100 0.038 0.000 0.759 113 P CB 0.318 32.026 31.700 0.012 0.000 0.782 114 V N 5.395 125.366 119.914 0.095 0.000 2.435 114 V HA 0.316 4.463 4.120 0.045 0.000 0.290 114 V C 0.334 176.510 176.094 0.136 0.000 1.030 114 V CA -0.452 61.926 62.300 0.130 0.000 0.881 114 V CB 1.310 33.221 31.823 0.146 0.000 0.983 114 V HN 0.327 nan 8.190 nan 0.000 0.445 115 L N 5.814 127.134 121.223 0.162 0.000 2.305 115 L HA 0.566 4.933 4.340 0.045 0.000 0.284 115 L C -0.491 176.622 176.870 0.406 0.000 1.013 115 L CA -0.071 54.882 54.840 0.188 0.000 0.819 115 L CB 1.468 43.526 42.059 -0.003 0.000 1.227 115 L HN 0.501 nan 8.230 nan 0.000 0.417 116 I N 3.327 124.155 120.570 0.429 0.000 2.312 116 I HA 0.171 4.369 4.170 0.045 0.000 0.290 116 I C -0.523 175.886 176.117 0.486 0.000 1.008 116 I CA -0.340 61.195 61.300 0.392 0.000 1.226 116 I CB 0.890 38.991 38.000 0.167 0.000 1.371 116 I HN 0.626 nan 8.210 nan 0.000 0.468 117 W N 8.565 129.992 121.300 0.212 0.000 2.315 117 W HA 0.531 5.218 4.660 0.045 0.000 0.316 117 W C -1.385 175.029 176.519 -0.174 0.000 1.211 117 W CA -0.584 56.631 57.345 -0.216 0.000 1.201 117 W CB 1.121 30.478 29.460 -0.172 0.000 1.184 117 W HN 0.344 nan 8.180 nan 0.000 0.544 118 I N 9.190 129.046 120.570 -1.189 0.000 2.437 118 I HA 0.050 4.248 4.170 0.045 0.000 0.279 118 I C -0.244 175.091 176.117 -1.303 0.000 1.028 118 I CA -1.082 59.636 61.300 -0.969 0.000 1.142 118 I CB 0.621 38.228 38.000 -0.655 0.000 1.266 118 I HN 0.304 nan 8.210 nan 0.000 0.461 119 Y N 4.500 124.336 120.300 -0.772 0.000 2.607 119 Y HA 0.549 5.126 4.550 0.045 0.000 0.348 119 Y C 0.848 176.580 175.900 -0.279 0.000 1.261 119 Y CA -0.554 57.245 58.100 -0.501 0.000 1.480 119 Y CB -0.116 38.267 38.460 -0.129 0.000 1.358 119 Y HN 0.502 nan 8.280 nan 0.000 0.630 120 G N -0.885 107.937 108.800 0.036 0.000 2.583 120 G HA2 0.488 4.476 3.960 0.045 0.000 0.280 120 G HA3 0.488 4.476 3.960 0.045 0.000 0.280 120 G C 0.379 175.223 174.900 -0.094 0.000 1.376 120 G CA -0.916 44.114 45.100 -0.117 0.000 1.043 120 G HN 1.751 nan 8.290 nan 0.000 0.538 121 G N -2.900 105.671 108.800 -0.381 0.000 2.161 121 G HA2 0.388 4.375 3.960 0.045 0.000 0.140 121 G HA3 0.388 4.375 3.960 0.045 0.000 0.140 121 G C 1.086 175.417 174.900 -0.950 0.000 1.040 121 G CA 0.732 45.477 45.100 -0.593 0.000 0.735 121 G HN 2.371 nan 8.290 nan 0.000 0.496 122 G N -0.553 107.699 108.800 -0.913 0.000 2.179 122 G HA2 -0.112 3.876 3.960 0.045 0.000 0.257 122 G HA3 -0.112 3.876 3.960 0.045 0.000 0.257 122 G C 0.903 175.492 174.900 -0.519 0.000 1.010 122 G CA 0.775 45.118 45.100 -1.262 0.000 0.736 122 G HN 1.759 nan 8.290 nan 0.000 0.513 123 F N -3.389 116.421 119.950 -0.234 0.000 2.935 123 F HA -0.339 4.215 4.527 0.045 0.000 0.317 123 F C 1.559 177.449 175.800 0.151 0.000 0.699 123 F CA 2.277 60.264 58.000 -0.022 0.000 1.127 123 F CB -2.060 36.759 39.000 -0.301 0.000 1.491 123 F HN 0.880 nan 8.300 nan 0.000 0.337 124 Y N -1.030 119.356 120.300 0.143 0.000 2.498 124 Y HA 0.601 5.178 4.550 0.045 0.000 0.259 124 Y C 0.847 176.869 175.900 0.203 0.000 1.086 124 Y CA 0.370 58.582 58.100 0.186 0.000 1.287 124 Y CB -0.110 38.416 38.460 0.109 0.000 1.146 124 Y HN 0.052 nan 8.280 nan 0.000 0.523 125 S N -0.711 114.792 115.700 -0.328 0.000 2.794 125 S HA 0.902 5.400 4.470 0.045 0.000 0.299 125 S C -0.051 174.423 174.600 -0.209 0.000 1.179 125 S CA -0.560 57.532 58.200 -0.181 0.000 0.838 125 S CB 1.559 64.641 63.200 -0.197 0.000 1.206 125 S HN 1.293 nan 8.310 nan 0.000 0.523 126 G N -0.873 107.765 108.800 -0.271 0.000 2.459 126 G HA2 0.535 4.522 3.960 0.045 0.000 0.685 126 G HA3 0.535 4.522 3.960 0.045 0.000 0.685 126 G C -0.747 173.529 174.900 -1.039 0.000 1.303 126 G CA -0.182 44.582 45.100 -0.561 0.000 0.907 126 G HN 2.109 nan 8.290 nan 0.000 0.632 127 A N -1.019 121.056 122.820 -1.242 0.000 2.594 127 A HA 0.984 5.332 4.320 0.045 0.000 0.296 127 A C 0.498 177.841 177.584 -0.400 0.000 1.061 127 A CA 0.540 52.066 52.037 -0.851 0.000 0.689 127 A CB 0.956 19.717 19.000 -0.397 0.000 1.280 127 A HN 2.598 nan 8.150 nan 0.000 0.406 128 A N 0.514 123.331 122.820 -0.006 0.000 2.252 128 A HA 0.349 4.696 4.320 0.045 0.000 0.207 128 A C 1.402 178.989 177.584 0.005 0.000 1.194 128 A CA 1.493 53.712 52.037 0.303 0.000 0.809 128 A CB -0.675 18.578 19.000 0.421 0.000 0.814 128 A HN 1.803 nan 8.150 nan 0.000 0.482 129 S N -1.000 114.477 115.700 -0.372 0.000 2.559 129 S HA 0.369 4.866 4.470 0.045 0.000 0.226 129 S C 0.319 174.546 174.600 -0.622 0.000 1.000 129 S CA -0.477 57.079 58.200 -1.072 0.000 0.948 129 S CB -0.490 61.967 63.200 -1.239 0.000 0.870 129 S HN 0.329 nan 8.310 nan 0.000 0.497 130 L N 2.337 123.303 121.223 -0.428 0.000 2.461 130 L HA 0.237 4.604 4.340 0.045 0.000 0.272 130 L C 1.146 177.703 176.870 -0.522 0.000 1.197 130 L CA -0.540 53.990 54.840 -0.516 0.000 0.836 130 L CB 0.192 41.812 42.059 -0.731 0.000 1.105 130 L HN 0.027 nan 8.230 nan 0.000 0.477 131 D N 1.178 121.324 120.400 -0.424 0.000 2.149 131 D HA -0.166 4.502 4.640 0.045 0.000 0.194 131 D C 1.981 178.010 176.300 -0.451 0.000 1.001 131 D CA 1.551 55.355 54.000 -0.327 0.000 0.849 131 D CB -0.107 40.533 40.800 -0.268 0.000 0.939 131 D HN 0.540 nan 8.370 nan 0.000 0.449 132 V N -1.537 117.961 119.914 -0.693 0.000 3.305 132 V HA -0.135 4.012 4.120 0.045 0.000 0.269 132 V C 0.845 176.326 176.094 -1.020 0.000 1.157 132 V CA 0.981 62.842 62.300 -0.732 0.000 1.157 132 V CB -1.146 30.235 31.823 -0.736 0.000 0.772 132 V HN 0.082 nan 8.190 nan 0.000 0.498 133 Y N -0.010 119.662 120.300 -1.047 0.000 2.607 133 Y HA 0.475 5.052 4.550 0.045 0.000 0.266 133 Y C 0.737 175.957 175.900 -1.133 0.000 1.178 133 Y CA -2.119 54.891 58.100 -1.816 0.000 1.226 133 Y CB -0.744 37.072 38.460 -1.075 0.000 1.144 133 Y HN 0.231 nan 8.280 nan 0.000 0.528 134 D N 0.949 120.999 120.400 -0.582 0.000 2.382 134 D HA 0.077 4.744 4.640 0.045 0.000 0.259 134 D C 1.323 177.284 176.300 -0.566 0.000 1.224 134 D CA 0.425 54.169 54.000 -0.427 0.000 0.894 134 D CB 1.261 41.944 40.800 -0.195 0.000 1.127 134 D HN 0.467 nan 8.370 nan 0.000 0.487 135 G N 4.131 112.052 108.800 -1.466 0.000 3.181 135 G HA2 -0.126 3.861 3.960 0.045 0.000 0.219 135 G HA3 -0.126 3.861 3.960 0.045 0.000 0.219 135 G C 1.444 175.768 174.900 -0.959 0.000 1.182 135 G CA -0.077 44.351 45.100 -1.120 0.000 0.791 135 G HN 0.570 nan 8.290 nan 0.000 0.537 136 R N -0.381 119.527 120.500 -0.987 0.000 2.075 136 R HA -0.024 4.344 4.340 0.045 0.000 0.232 136 R C 1.588 177.641 176.300 -0.412 0.000 1.126 136 R CA 1.014 56.762 56.100 -0.587 0.000 0.963 136 R CB -0.718 29.259 30.300 -0.538 0.000 0.858 136 R HN 0.283 nan 8.270 nan 0.000 0.435 137 F N 1.932 121.803 119.950 -0.132 0.000 2.051 137 F HA -0.058 4.497 4.527 0.046 0.000 0.296 137 F C 2.525 178.283 175.800 -0.071 0.000 1.122 137 F CA 1.092 59.041 58.000 -0.085 0.000 1.201 137 F CB -0.877 38.064 39.000 -0.098 0.000 0.978 137 F HN -0.128 nan 8.300 nan 0.000 0.472 138 L N -0.207 121.071 121.223 0.092 0.000 2.129 138 L HA -0.258 4.109 4.340 0.045 0.000 0.212 138 L C 2.608 179.505 176.870 0.045 0.000 1.087 138 L CA 1.162 56.016 54.840 0.022 0.000 0.757 138 L CB -0.912 41.118 42.059 -0.048 0.000 0.896 138 L HN 0.227 nan 8.230 nan 0.000 0.434 139 A N -1.317 121.533 122.820 0.050 0.000 1.898 139 A HA -0.176 4.171 4.320 0.045 0.000 0.214 139 A C 2.276 179.918 177.584 0.096 0.000 1.183 139 A CA 1.087 53.188 52.037 0.107 0.000 0.622 139 A CB -0.314 18.792 19.000 0.176 0.000 0.824 139 A HN 0.359 nan 8.150 nan 0.000 0.444 140 Q N 0.067 119.908 119.800 0.069 0.000 2.008 140 Q HA -0.069 4.298 4.340 0.045 0.000 0.196 140 Q C 2.196 178.240 176.000 0.072 0.000 0.973 140 Q CA 2.025 57.871 55.803 0.073 0.000 0.826 140 Q CB -0.349 28.421 28.738 0.052 0.000 0.894 140 Q HN 0.383 nan 8.270 nan 0.000 0.439 141 V N 1.509 121.467 119.914 0.074 0.000 2.427 141 V HA -0.152 3.995 4.120 0.045 0.000 0.248 141 V C 1.775 177.894 176.094 0.043 0.000 1.051 141 V CA 1.789 64.124 62.300 0.057 0.000 1.048 141 V CB -0.264 31.591 31.823 0.054 0.000 0.666 141 V HN 0.278 nan 8.190 nan 0.000 0.456 142 E N -0.625 119.600 120.200 0.043 0.000 2.511 142 E HA 0.219 4.597 4.350 0.045 0.000 0.209 142 E C 1.662 178.290 176.600 0.047 0.000 0.986 142 E CA 0.727 57.148 56.400 0.035 0.000 0.974 142 E CB 0.763 30.475 29.700 0.021 0.000 1.030 142 E HN 0.594 nan 8.360 nan 0.000 0.490 143 G N 1.975 110.813 108.800 0.063 0.000 2.198 143 G HA2 -0.305 3.683 3.960 0.045 0.000 0.260 143 G HA3 -0.305 3.683 3.960 0.045 0.000 0.260 143 G C 0.431 175.383 174.900 0.086 0.000 1.025 143 G CA 0.398 45.544 45.100 0.077 0.000 0.769 143 G HN 0.433 nan 8.290 nan 0.000 0.507 144 A N -0.507 122.365 122.820 0.086 0.000 2.363 144 A HA 0.685 5.032 4.320 0.045 0.000 0.270 144 A C 0.590 178.263 177.584 0.149 0.000 1.121 144 A CA -0.059 52.034 52.037 0.095 0.000 0.800 144 A CB 1.166 20.205 19.000 0.064 0.000 1.052 144 A HN 1.117 nan 8.150 nan 0.000 0.493 145 V N 3.842 123.852 119.914 0.159 0.000 2.408 145 V HA 0.210 4.357 4.120 0.045 0.000 0.267 145 V C -0.224 176.008 176.094 0.230 0.000 1.047 145 V CA -0.063 62.362 62.300 0.208 0.000 0.937 145 V CB 0.593 32.525 31.823 0.183 0.000 0.999 145 V HN 0.700 nan 8.190 nan 0.000 0.472 146 L N 7.362 128.777 121.223 0.320 0.000 2.313 146 L HA 0.654 5.021 4.340 0.045 0.000 0.283 146 L C -0.371 176.797 176.870 0.496 0.000 1.013 146 L CA 0.093 55.171 54.840 0.397 0.000 0.816 146 L CB 1.838 44.133 42.059 0.393 0.000 1.236 146 L HN 0.411 nan 8.230 nan 0.000 0.419 147 V N 3.590 123.764 119.914 0.434 0.000 2.513 147 V HA 0.787 4.935 4.120 0.045 0.000 0.299 147 V C -0.235 176.126 176.094 0.445 0.000 1.035 147 V CA -0.446 62.076 62.300 0.371 0.000 0.889 147 V CB 1.792 33.755 31.823 0.234 0.000 0.988 147 V HN 0.885 nan 8.190 nan 0.000 0.440 148 S N 5.586 121.553 115.700 0.444 0.000 2.538 148 S HA 0.854 5.351 4.470 0.045 0.000 0.288 148 S C -0.779 173.989 174.600 0.280 0.000 1.108 148 S CA -0.820 57.635 58.200 0.425 0.000 0.971 148 S CB 2.135 65.707 63.200 0.620 0.000 1.041 148 S HN 0.831 nan 8.310 nan 0.000 0.483 149 M N 1.614 121.334 119.600 0.201 0.000 2.598 149 M HA 0.644 5.151 4.480 0.045 0.000 0.317 149 M C -1.504 175.015 176.300 0.366 0.000 1.179 149 M CA -0.515 54.894 55.300 0.183 0.000 0.936 149 M CB 1.025 33.554 32.600 -0.118 0.000 1.713 149 M HN 0.550 nan 8.290 nan 0.000 0.460 150 N N 2.464 121.439 118.700 0.459 0.000 2.524 150 N HA 0.581 5.348 4.740 0.045 0.000 0.283 150 N C -1.402 174.395 175.510 0.478 0.000 1.142 150 N CA 0.101 53.437 53.050 0.477 0.000 0.984 150 N CB 0.623 39.313 38.487 0.337 0.000 1.155 150 N HN 0.725 nan 8.380 nan 0.000 0.467 151 Y N -1.915 118.567 120.300 0.304 0.000 2.562 151 Y HA 0.553 5.130 4.550 0.045 0.000 0.345 151 Y C -0.138 175.895 175.900 0.221 0.000 1.045 151 Y CA -1.308 56.917 58.100 0.209 0.000 1.028 151 Y CB 0.936 39.450 38.460 0.090 0.000 1.297 151 Y HN 0.198 nan 8.280 nan 0.000 0.463 152 R N 1.974 122.611 120.500 0.228 0.000 2.537 152 R HA 0.487 4.855 4.340 0.045 0.000 0.280 152 R C -0.254 176.185 176.300 0.232 0.000 1.058 152 R CA -0.141 56.045 56.100 0.144 0.000 1.057 152 R CB 0.874 31.221 30.300 0.077 0.000 0.973 152 R HN 0.728 nan 8.270 nan 0.000 0.438 153 V N -0.045 120.049 119.914 0.301 0.000 3.181 153 V HA 0.861 5.008 4.120 0.045 0.000 0.314 153 V C 0.813 177.217 176.094 0.517 0.000 1.173 153 V CA -0.155 62.439 62.300 0.491 0.000 1.052 153 V CB 1.061 33.096 31.823 0.352 0.000 1.123 153 V HN 0.956 nan 8.190 nan 0.000 0.454 154 G N 1.539 110.669 108.800 0.549 0.000 2.582 154 G HA2 -0.321 3.666 3.960 0.045 0.000 0.288 154 G HA3 -0.321 3.666 3.960 0.045 0.000 0.288 154 G C 1.050 176.048 174.900 0.163 0.000 1.247 154 G CA 1.762 47.089 45.100 0.377 0.000 0.972 154 G HN 2.306 nan 8.290 nan 0.000 0.557 155 T N -1.579 112.785 114.554 -0.316 0.000 2.720 155 T HA -0.074 4.303 4.350 0.045 0.000 0.268 155 T C 2.141 176.696 174.700 -0.242 0.000 1.037 155 T CA 2.553 64.245 62.100 -0.680 0.000 1.144 155 T CB -0.406 67.921 68.868 -0.901 0.000 0.864 155 T HN 0.545 nan 8.240 nan 0.000 0.444 156 F N 2.222 122.236 119.950 0.105 0.000 2.171 156 F HA 0.223 4.777 4.527 0.045 0.000 0.300 156 F C 2.817 178.617 175.800 0.001 0.000 1.090 156 F CA 0.741 58.766 58.000 0.042 0.000 1.293 156 F CB -1.077 37.910 39.000 -0.021 0.000 1.013 156 F HN 0.348 nan 8.300 nan 0.000 0.486 157 G N -1.656 107.217 108.800 0.122 0.000 2.492 157 G HA2 -0.043 3.944 3.960 0.045 0.000 0.214 157 G HA3 -0.043 3.944 3.960 0.045 0.000 0.214 157 G C 0.942 175.388 174.900 -0.757 0.000 1.147 157 G CA 0.395 45.289 45.100 -0.344 0.000 0.809 157 G HN 0.364 nan 8.290 nan 0.000 0.533 158 F N -0.845 119.186 119.950 0.135 0.000 2.915 158 F HA 0.422 4.976 4.527 0.046 0.000 0.347 158 F C 0.426 176.288 175.800 0.104 0.000 1.104 158 F CA -0.977 57.080 58.000 0.096 0.000 1.126 158 F CB 0.346 39.406 39.000 0.101 0.000 1.145 158 F HN -0.092 nan 8.300 nan 0.000 0.541 159 L N 2.334 123.597 121.223 0.068 0.000 2.562 159 L HA 0.501 4.868 4.340 0.045 0.000 0.271 159 L C 0.037 176.863 176.870 -0.074 0.000 1.167 159 L CA 0.036 54.818 54.840 -0.097 0.000 0.917 159 L CB 0.133 41.838 42.059 -0.590 0.000 1.187 159 L HN 0.130 nan 8.230 nan 0.000 0.482 160 A N 6.341 129.171 122.820 0.017 0.000 2.355 160 A HA 0.684 5.032 4.320 0.045 0.000 0.317 160 A C -0.943 176.620 177.584 -0.036 0.000 1.094 160 A CA -0.620 51.409 52.037 -0.013 0.000 0.764 160 A CB 1.183 20.203 19.000 0.033 0.000 1.230 160 A HN 0.718 nan 8.150 nan 0.000 0.448 161 L N 3.647 124.835 121.223 -0.060 0.000 2.371 161 L HA 0.316 4.684 4.340 0.045 0.000 0.262 161 L C -2.388 174.469 176.870 -0.021 0.000 1.054 161 L CA -1.718 53.095 54.840 -0.044 0.000 0.924 161 L CB 1.206 43.226 42.059 -0.064 0.000 1.295 161 L HN 0.411 nan 8.230 nan 0.000 0.441 162 P HA 0.056 nan 4.420 nan 0.000 0.264 162 P C 1.014 178.314 177.300 0.001 0.000 1.183 162 P CA 0.792 63.892 63.100 0.001 0.000 0.763 162 P CB 0.929 32.629 31.700 0.001 0.000 0.807 163 G N 1.700 110.504 108.800 0.007 0.000 2.268 163 G HA2 -0.255 3.732 3.960 0.045 0.000 0.240 163 G HA3 -0.255 3.732 3.960 0.045 0.000 0.240 163 G C 0.448 175.353 174.900 0.007 0.000 1.010 163 G CA 0.282 45.387 45.100 0.008 0.000 0.618 163 G HN 0.830 nan 8.290 nan 0.000 0.516 164 S N 0.036 115.738 115.700 0.004 0.000 2.593 164 S HA 0.569 5.066 4.470 0.045 0.000 0.269 164 S C 1.250 175.859 174.600 0.014 0.000 1.334 164 S CA 0.516 58.719 58.200 0.004 0.000 1.015 164 S CB 1.864 65.061 63.200 -0.006 0.000 0.912 164 S HN 0.467 nan 8.310 nan 0.000 0.541 165 R N 0.614 121.124 120.500 0.017 0.000 2.127 165 R HA -0.002 4.366 4.340 0.045 0.000 0.217 165 R C 1.212 177.532 176.300 0.034 0.000 1.074 165 R CA 1.170 57.285 56.100 0.025 0.000 0.991 165 R CB -0.082 30.231 30.300 0.023 0.000 0.895 165 R HN 0.924 nan 8.270 nan 0.000 0.450 166 E N -0.885 119.336 120.200 0.035 0.000 2.498 166 E HA 0.106 4.484 4.350 0.045 0.000 0.203 166 E C -0.441 176.208 176.600 0.082 0.000 1.013 166 E CA 0.114 56.549 56.400 0.058 0.000 0.927 166 E CB 1.179 30.916 29.700 0.061 0.000 1.012 166 E HN 0.172 nan 8.360 nan 0.000 0.482 167 A N 2.210 125.054 122.820 0.040 0.000 3.422 167 A HA 0.399 4.746 4.320 0.045 0.000 0.271 167 A C -2.395 175.191 177.584 0.003 0.000 1.104 167 A CA -0.869 51.179 52.037 0.018 0.000 0.899 167 A CB 0.835 19.762 19.000 -0.121 0.000 1.309 167 A HN -0.069 nan 8.150 nan 0.000 0.580 168 P HA 0.228 nan 4.420 nan 0.000 0.241 168 P C 0.911 178.227 177.300 0.027 0.000 1.191 168 P CA 1.561 64.677 63.100 0.028 0.000 0.771 168 P CB 0.216 31.941 31.700 0.041 0.000 0.929 169 G N 0.796 109.609 108.800 0.023 0.000 2.730 169 G HA2 -0.188 3.799 3.960 0.045 0.000 0.686 169 G HA3 -0.188 3.799 3.960 0.045 0.000 0.686 169 G C -0.154 174.745 174.900 -0.001 0.000 1.343 169 G CA -0.348 44.768 45.100 0.027 0.000 0.826 169 G HN 0.133 nan 8.290 nan 0.000 0.582 170 N N -2.359 116.341 118.700 0.000 0.000 2.708 170 N HA -0.274 4.493 4.740 0.045 0.000 0.251 170 N C 1.787 177.163 175.510 -0.223 0.000 1.123 170 N CA 2.342 55.330 53.050 -0.103 0.000 0.739 170 N CB -1.738 36.607 38.487 -0.237 0.000 1.113 170 N HN 1.918 nan 8.380 nan 0.000 0.561 171 V N -2.908 116.858 119.914 -0.246 0.000 2.548 171 V HA 0.042 4.189 4.120 0.045 0.000 0.249 171 V C 2.323 178.287 176.094 -0.217 0.000 1.055 171 V CA 2.155 64.356 62.300 -0.165 0.000 1.065 171 V CB -0.852 30.925 31.823 -0.076 0.000 0.681 171 V HN 0.265 nan 8.190 nan 0.000 0.462 172 G N 0.441 108.913 108.800 -0.546 0.000 2.450 172 G HA2 -0.153 3.834 3.960 0.045 0.000 0.220 172 G HA3 -0.153 3.834 3.960 0.045 0.000 0.220 172 G C 1.557 176.431 174.900 -0.045 0.000 1.130 172 G CA 1.235 46.144 45.100 -0.319 0.000 0.760 172 G HN 0.540 nan 8.290 nan 0.000 0.557 173 L N -0.426 120.721 121.223 -0.127 0.000 2.179 173 L HA 0.159 4.526 4.340 0.045 0.000 0.208 173 L C 2.773 179.654 176.870 0.019 0.000 1.096 173 L CA 0.228 54.968 54.840 -0.166 0.000 0.779 173 L CB -0.211 41.455 42.059 -0.656 0.000 0.922 173 L HN 0.175 nan 8.230 nan 0.000 0.443 174 L N -0.568 120.676 121.223 0.034 0.000 2.156 174 L HA -0.181 4.186 4.340 0.045 0.000 0.208 174 L C 2.136 179.126 176.870 0.199 0.000 1.095 174 L CA 0.731 55.687 54.840 0.193 0.000 0.770 174 L CB -0.499 41.656 42.059 0.160 0.000 0.914 174 L HN 0.246 nan 8.230 nan 0.000 0.439 175 D N 0.073 120.578 120.400 0.175 0.000 2.106 175 D HA -0.240 4.427 4.640 0.045 0.000 0.191 175 D C 2.241 178.695 176.300 0.256 0.000 0.997 175 D CA 1.367 55.550 54.000 0.305 0.000 0.834 175 D CB -0.222 40.770 40.800 0.320 0.000 0.956 175 D HN 0.376 nan 8.370 nan 0.000 0.448 176 Q N 0.018 119.897 119.800 0.131 0.000 2.061 176 Q HA -0.153 4.214 4.340 0.045 0.000 0.204 176 Q C 2.313 178.308 176.000 -0.007 0.000 0.984 176 Q CA 1.228 57.028 55.803 -0.005 0.000 0.846 176 Q CB -0.119 28.614 28.738 -0.008 0.000 0.902 176 Q HN 0.202 nan 8.270 nan 0.000 0.421 177 R N 0.502 121.114 120.500 0.188 0.000 2.103 177 R HA -0.209 4.159 4.340 0.045 0.000 0.242 177 R C 2.197 178.561 176.300 0.105 0.000 1.142 177 R CA 1.238 57.444 56.100 0.176 0.000 0.960 177 R CB -0.281 30.220 30.300 0.335 0.000 0.858 177 R HN 0.223 nan 8.270 nan 0.000 0.439 178 L N 0.649 121.960 121.223 0.146 0.000 2.017 178 L HA -0.077 4.290 4.340 0.045 0.000 0.208 178 L C 2.306 179.218 176.870 0.069 0.000 1.073 178 L CA 2.187 57.137 54.840 0.184 0.000 0.745 178 L CB -0.778 41.483 42.059 0.336 0.000 0.894 178 L HN 0.273 nan 8.230 nan 0.000 0.432 179 A N -0.624 122.029 122.820 -0.278 0.000 1.933 179 A HA -0.168 4.179 4.320 0.045 0.000 0.218 179 A C 2.217 179.748 177.584 -0.088 0.000 1.175 179 A CA 1.912 53.634 52.037 -0.525 0.000 0.628 179 A CB -0.849 17.586 19.000 -0.941 0.000 0.814 179 A HN 0.526 nan 8.150 nan 0.000 0.444 180 L N -1.429 119.751 121.223 -0.072 0.000 2.046 180 L HA -0.241 4.127 4.340 0.045 0.000 0.208 180 L C 2.819 179.734 176.870 0.075 0.000 1.077 180 L CA 1.721 56.558 54.840 -0.004 0.000 0.747 180 L CB -0.804 41.214 42.059 -0.068 0.000 0.896 180 L HN 0.428 nan 8.230 nan 0.000 0.432 181 Q N -0.646 119.211 119.800 0.095 0.000 2.096 181 Q HA -0.263 4.104 4.340 0.045 0.000 0.204 181 Q C 2.053 178.137 176.000 0.142 0.000 0.982 181 Q CA 2.188 58.057 55.803 0.110 0.000 0.850 181 Q CB -0.276 28.539 28.738 0.127 0.000 0.901 181 Q HN 0.511 nan 8.270 nan 0.000 0.422 182 W N -0.420 120.895 121.300 0.024 0.000 2.363 182 W HA -0.215 4.473 4.660 0.045 0.000 0.296 182 W C 1.730 178.278 176.519 0.047 0.000 1.212 182 W CA 1.326 58.704 57.345 0.055 0.000 1.260 182 W CB -0.107 29.389 29.460 0.060 0.000 1.131 182 W HN -0.091 nan 8.180 nan 0.000 0.530 183 V N 0.686 120.770 119.914 0.285 0.000 2.295 183 V HA -0.340 3.807 4.120 0.045 0.000 0.246 183 V C 2.544 178.637 176.094 -0.001 0.000 1.049 183 V CA 2.012 64.406 62.300 0.156 0.000 1.024 183 V CB -1.059 30.877 31.823 0.188 0.000 0.648 183 V HN 0.160 nan 8.190 nan 0.000 0.447 184 Q N 0.100 119.910 119.800 0.017 0.000 2.112 184 Q HA -0.247 4.120 4.340 0.045 0.000 0.206 184 Q C 2.165 178.128 176.000 -0.063 0.000 0.987 184 Q CA 1.900 57.703 55.803 -0.001 0.000 0.858 184 Q CB -0.326 28.421 28.738 0.016 0.000 0.905 184 Q HN 0.736 nan 8.270 nan 0.000 0.420 185 E N -0.539 119.581 120.200 -0.134 0.000 2.385 185 E HA 0.014 4.391 4.350 0.045 0.000 0.194 185 E C 1.044 177.478 176.600 -0.277 0.000 1.013 185 E CA 0.250 56.542 56.400 -0.181 0.000 0.866 185 E CB 0.296 29.889 29.700 -0.178 0.000 0.832 185 E HN 0.325 nan 8.360 nan 0.000 0.500 186 N N -0.273 118.174 118.700 -0.422 0.000 2.168 186 N HA 0.039 4.806 4.740 0.045 0.000 0.216 186 N C 1.207 176.637 175.510 -0.134 0.000 1.259 186 N CA 0.069 52.841 53.050 -0.463 0.000 0.902 186 N CB 0.691 38.497 38.487 -1.135 0.000 1.079 186 N HN 0.045 nan 8.380 nan 0.000 0.507 187 I N 2.295 122.825 120.570 -0.066 0.000 2.546 187 I HA 0.009 4.206 4.170 0.045 0.000 0.255 187 I C 2.216 178.458 176.117 0.208 0.000 1.163 187 I CA 0.527 61.905 61.300 0.130 0.000 1.457 187 I CB -0.248 37.797 38.000 0.076 0.000 1.092 187 I HN 0.040 nan 8.210 nan 0.000 0.434 188 A N 0.552 123.419 122.820 0.079 0.000 1.917 188 A HA -0.225 4.122 4.320 0.045 0.000 0.219 188 A C 2.502 180.101 177.584 0.024 0.000 1.182 188 A CA 1.907 53.971 52.037 0.046 0.000 0.633 188 A CB -1.270 17.728 19.000 -0.003 0.000 0.819 188 A HN 0.476 nan 8.150 nan 0.000 0.448 189 A N -1.634 121.164 122.820 -0.036 0.000 2.076 189 A HA -0.017 4.330 4.320 0.045 0.000 0.220 189 A C 1.674 179.067 177.584 -0.318 0.000 1.160 189 A CA 1.529 53.438 52.037 -0.212 0.000 0.653 189 A CB -0.694 18.091 19.000 -0.359 0.000 0.801 189 A HN 0.532 nan 8.150 nan 0.000 0.455 190 F N -1.656 118.253 119.950 -0.069 0.000 2.749 190 F HA 0.375 4.930 4.527 0.046 0.000 0.300 190 F C 1.843 177.662 175.800 0.031 0.000 1.103 190 F CA 0.545 58.527 58.000 -0.030 0.000 1.342 190 F CB 0.203 39.198 39.000 -0.008 0.000 1.098 190 F HN 0.335 nan 8.300 nan 0.000 0.586 191 G N 0.287 109.190 108.800 0.171 0.000 2.157 191 G HA2 -0.175 3.813 3.960 0.045 0.000 0.239 191 G HA3 -0.175 3.813 3.960 0.045 0.000 0.239 191 G C 0.661 175.637 174.900 0.127 0.000 0.982 191 G CA -0.284 44.886 45.100 0.118 0.000 0.650 191 G HN 0.710 nan 8.290 nan 0.000 0.527 192 G N -0.506 108.389 108.800 0.160 0.000 2.539 192 G HA2 0.449 4.436 3.960 0.045 0.000 0.258 192 G HA3 0.449 4.436 3.960 0.045 0.000 0.258 192 G C -0.596 174.357 174.900 0.089 0.000 1.202 192 G CA 0.258 45.434 45.100 0.127 0.000 0.851 192 G HN 0.196 nan 8.290 nan 0.000 0.556 193 D N 1.249 121.692 120.400 0.072 0.000 2.396 193 D HA 0.280 4.947 4.640 0.045 0.000 0.225 193 D C -1.207 175.134 176.300 0.069 0.000 1.121 193 D CA -2.306 51.722 54.000 0.047 0.000 0.853 193 D CB 1.847 42.659 40.800 0.019 0.000 1.043 193 D HN 0.022 nan 8.370 nan 0.000 0.500 194 P HA -0.062 nan 4.420 nan 0.000 0.231 194 P C 1.125 178.533 177.300 0.180 0.000 1.158 194 P CA 0.684 63.847 63.100 0.105 0.000 0.763 194 P CB 0.210 31.948 31.700 0.063 0.000 0.805 195 M N -1.747 117.898 119.600 0.074 0.000 2.371 195 M HA 0.097 4.604 4.480 0.045 0.000 0.246 195 M C 0.588 176.612 176.300 -0.461 0.000 1.103 195 M CA 0.358 55.612 55.300 -0.077 0.000 1.010 195 M CB 0.435 32.970 32.600 -0.110 0.000 1.457 195 M HN -0.203 nan 8.290 nan 0.000 0.486 196 S N 1.203 116.826 115.700 -0.128 0.000 2.399 196 S HA 0.444 4.941 4.470 0.045 0.000 0.215 196 S C -0.931 173.775 174.600 0.177 0.000 1.456 196 S CA -0.491 57.663 58.200 -0.076 0.000 1.199 196 S CB 0.445 63.594 63.200 -0.086 0.000 1.063 196 S HN 0.000 nan 8.310 nan 0.000 0.476 197 V N 4.617 124.815 119.914 0.474 0.000 2.357 197 V HA 0.481 4.629 4.120 0.045 0.000 0.284 197 V C 0.081 176.345 176.094 0.283 0.000 1.018 197 V CA -0.515 61.969 62.300 0.306 0.000 0.841 197 V CB 1.720 33.688 31.823 0.241 0.000 0.991 197 V HN 0.747 nan 8.190 nan 0.000 0.437 198 T N 6.670 121.340 114.554 0.193 0.000 2.771 198 T HA 0.586 4.963 4.350 0.045 0.000 0.281 198 T C -0.100 174.719 174.700 0.198 0.000 0.982 198 T CA -0.340 61.870 62.100 0.185 0.000 0.978 198 T CB 0.837 69.769 68.868 0.107 0.000 0.930 198 T HN 0.333 nan 8.240 nan 0.000 0.447 199 L N 4.583 125.893 121.223 0.145 0.000 2.395 199 L HA 0.681 5.048 4.340 0.045 0.000 0.269 199 L C -0.386 176.677 176.870 0.320 0.000 1.133 199 L CA -0.756 54.142 54.840 0.095 0.000 0.812 199 L CB 0.365 42.258 42.059 -0.277 0.000 1.125 199 L HN 0.650 nan 8.230 nan 0.000 0.452 200 F N 0.168 120.148 119.950 0.051 0.000 2.641 200 F HA 0.918 5.472 4.527 0.045 0.000 0.308 200 F C -0.442 175.281 175.800 -0.129 0.000 1.105 200 F CA -1.380 56.686 58.000 0.111 0.000 0.964 200 F CB 1.362 40.582 39.000 0.367 0.000 1.294 200 F HN 0.500 nan 8.300 nan 0.000 0.442 201 G N 1.132 109.721 108.800 -0.353 0.000 2.608 201 G HA2 0.525 4.512 3.960 0.045 0.000 0.291 201 G HA3 0.525 4.512 3.960 0.045 0.000 0.291 201 G C -2.425 172.196 174.900 -0.465 0.000 1.425 201 G CA -0.697 43.792 45.100 -1.019 0.000 0.787 201 G HN 0.906 nan 8.290 nan 0.000 0.484 205 G N 0.676 109.251 108.800 -0.375 0.000 2.440 205 G HA2 0.084 4.071 3.960 0.045 0.000 0.218 205 G HA3 0.084 4.071 3.960 0.045 0.000 0.218 205 G C 1.667 176.383 174.900 -0.306 0.000 1.154 205 G CA 1.951 46.791 45.100 -0.433 0.000 0.767 205 G HN 1.249 nan 8.290 nan 0.000 0.552 206 A N 1.313 124.029 122.820 -0.174 0.000 1.858 206 A HA 0.255 4.602 4.320 0.045 0.000 0.216 206 A C 2.862 180.424 177.584 -0.035 0.000 1.190 206 A CA 2.373 54.371 52.037 -0.065 0.000 0.617 206 A CB -0.978 18.041 19.000 0.033 0.000 0.827 206 A HN 0.875 nan 8.150 nan 0.000 0.443 207 A N -0.416 122.412 122.820 0.013 0.000 1.948 207 A HA -0.122 4.225 4.320 0.045 0.000 0.220 207 A C 2.433 180.030 177.584 0.022 0.000 1.177 207 A CA 2.266 54.307 52.037 0.007 0.000 0.636 207 A CB -0.883 18.145 19.000 0.047 0.000 0.815 207 A HN 0.480 nan 8.150 nan 0.000 0.449 208 S N -0.455 115.251 115.700 0.010 0.000 2.356 208 S HA -0.131 4.366 4.470 0.045 0.000 0.223 208 S C 1.915 176.504 174.600 -0.018 0.000 1.032 208 S CA 1.386 59.563 58.200 -0.038 0.000 1.005 208 S CB -0.606 62.515 63.200 -0.133 0.000 0.867 208 S HN 0.369 nan 8.310 nan 0.000 0.449 209 V N 2.003 121.896 119.914 -0.035 0.000 2.252 209 V HA -0.219 3.928 4.120 0.045 0.000 0.249 209 V C 2.690 178.785 176.094 0.002 0.000 1.056 209 V CA 2.071 64.350 62.300 -0.035 0.000 1.022 209 V CB -1.685 30.085 31.823 -0.088 0.000 0.641 209 V HN 0.596 nan 8.190 nan 0.000 0.445 210 G N -0.800 107.992 108.800 -0.014 0.000 2.469 210 G HA2 -0.331 3.656 3.960 0.045 0.000 0.219 210 G HA3 -0.331 3.656 3.960 0.045 0.000 0.219 210 G C 1.629 176.545 174.900 0.027 0.000 1.150 210 G CA 1.408 46.503 45.100 -0.009 0.000 0.763 210 G HN 0.462 nan 8.290 nan 0.000 0.561 211 M N -0.272 119.327 119.600 -0.001 0.000 2.229 211 M HA -0.001 4.506 4.480 0.045 0.000 0.264 211 M C 2.312 178.675 176.300 0.105 0.000 1.063 211 M CA 0.936 56.261 55.300 0.042 0.000 1.114 211 M CB -0.219 32.364 32.600 -0.027 0.000 1.387 211 M HN 0.232 nan 8.290 nan 0.000 0.420 212 H N -0.274 118.903 119.070 0.180 0.000 2.395 212 H HA -0.009 4.575 4.556 0.045 0.000 0.299 212 H C 2.151 177.672 175.328 0.322 0.000 1.070 212 H CA 1.482 57.648 56.048 0.197 0.000 1.356 212 H CB -0.311 29.435 29.762 -0.027 0.000 1.401 212 H HN 0.395 nan 8.280 nan 0.000 0.524 213 I N 0.817 121.631 120.570 0.407 0.000 2.264 213 I HA -0.253 3.944 4.170 0.045 0.000 0.248 213 I C 1.692 177.977 176.117 0.279 0.000 1.111 213 I CA 1.170 62.711 61.300 0.402 0.000 1.382 213 I CB -0.090 38.053 38.000 0.239 0.000 1.060 213 I HN 0.092 nan 8.210 nan 0.000 0.418 214 L N -0.931 120.411 121.223 0.198 0.000 2.611 214 L HA 0.143 4.511 4.340 0.045 0.000 0.229 214 L C 0.708 177.616 176.870 0.062 0.000 1.137 214 L CA 0.003 54.936 54.840 0.155 0.000 0.901 214 L CB -0.039 42.096 42.059 0.127 0.000 1.098 214 L HN -0.009 nan 8.230 nan 0.000 0.456 215 S N -0.154 115.551 115.700 0.008 0.000 2.640 215 S HA 0.254 4.751 4.470 0.045 0.000 0.320 215 S C 0.594 175.112 174.600 -0.136 0.000 1.097 215 S CA -0.637 57.447 58.200 -0.195 0.000 1.092 215 S CB 1.368 64.156 63.200 -0.687 0.000 0.988 215 S HN 0.181 nan 8.310 nan 0.000 0.470 216 L N 7.610 128.763 121.223 -0.117 0.000 1.997 216 L HA 0.068 4.435 4.340 0.045 0.000 0.216 216 L C -1.164 175.657 176.870 -0.083 0.000 1.074 216 L CA 2.320 57.111 54.840 -0.082 0.000 0.763 216 L CB -1.186 40.829 42.059 -0.074 0.000 0.890 216 L HN 0.482 nan 8.230 nan 0.000 0.434 217 P HA -0.062 nan 4.420 nan 0.000 0.225 217 P C 1.599 178.886 177.300 -0.022 0.000 1.148 217 P CA 1.228 64.285 63.100 -0.071 0.000 0.779 217 P CB 0.007 31.656 31.700 -0.086 0.000 0.780 218 S N -0.932 114.773 115.700 0.008 0.000 2.446 218 S HA 0.006 4.503 4.470 0.045 0.000 0.225 218 S C 1.825 176.534 174.600 0.180 0.000 1.016 218 S CA 0.439 58.753 58.200 0.191 0.000 0.943 218 S CB -0.304 63.154 63.200 0.430 0.000 0.786 218 S HN 0.084 nan 8.310 nan 0.000 0.508 219 R N 2.028 122.526 120.500 -0.003 0.000 2.127 219 R HA -0.022 4.345 4.340 0.045 0.000 0.238 219 R C 2.308 178.391 176.300 -0.361 0.000 1.134 219 R CA 1.459 57.384 56.100 -0.290 0.000 0.975 219 R CB -1.434 28.750 30.300 -0.192 0.000 0.865 219 R HN 0.573 nan 8.270 nan 0.000 0.447 220 S N 0.368 115.963 115.700 -0.175 0.000 2.595 220 S HA 0.018 4.515 4.470 0.045 0.000 0.235 220 S C 1.771 176.281 174.600 -0.150 0.000 0.974 220 S CA 0.584 58.695 58.200 -0.147 0.000 0.942 220 S CB -0.246 62.912 63.200 -0.070 0.000 0.766 220 S HN 0.246 nan 8.310 nan 0.000 0.536 221 L N -0.064 121.087 121.223 -0.120 0.000 2.664 221 L HA 0.470 4.837 4.340 0.045 0.000 0.233 221 L C 0.064 176.950 176.870 0.026 0.000 1.113 221 L CA -0.289 54.551 54.840 -0.000 0.000 0.896 221 L CB 0.066 42.191 42.059 0.109 0.000 1.163 221 L HN 0.489 nan 8.230 nan 0.000 0.497 222 F N -4.063 115.676 119.950 -0.351 0.000 2.711 222 F HA 0.471 5.025 4.527 0.045 0.000 0.313 222 F C 0.395 175.828 175.800 -0.612 0.000 1.141 222 F CA -1.011 56.727 58.000 -0.436 0.000 0.941 222 F CB 0.805 39.713 39.000 -0.153 0.000 1.349 222 F HN -0.133 nan 8.300 nan 0.000 0.464 223 H N -0.717 118.404 119.070 0.085 0.000 3.440 223 H HA 0.464 5.047 4.556 0.045 0.000 0.259 223 H C -0.226 175.130 175.328 0.046 0.000 1.120 223 H CA -0.090 55.934 56.048 -0.039 0.000 1.191 223 H CB 1.081 30.822 29.762 -0.035 0.000 1.537 223 H HN 0.457 nan 8.280 nan 0.000 0.547 224 R N 0.286 120.977 120.500 0.318 0.000 2.680 224 R HA 0.672 5.039 4.340 0.045 0.000 0.269 224 R C -1.539 175.002 176.300 0.402 0.000 1.026 224 R CA -0.570 55.684 56.100 0.256 0.000 0.889 224 R CB 2.877 33.150 30.300 -0.046 0.000 1.241 224 R HN 0.154 nan 8.270 nan 0.000 0.463 225 A N 1.551 124.619 122.820 0.412 0.000 2.475 225 A HA 0.762 5.109 4.320 0.045 0.000 0.301 225 A C -1.347 176.382 177.584 0.242 0.000 1.059 225 A CA -0.618 51.593 52.037 0.290 0.000 0.710 225 A CB 1.902 21.028 19.000 0.210 0.000 1.288 225 A HN 0.301 nan 8.150 nan 0.000 0.408 226 V N 1.722 121.730 119.914 0.157 0.000 2.531 226 V HA 0.517 4.664 4.120 0.045 0.000 0.301 226 V C -1.128 175.032 176.094 0.111 0.000 1.034 226 V CA -0.294 62.034 62.300 0.047 0.000 0.865 226 V CB 1.335 33.206 31.823 0.079 0.000 0.995 226 V HN 0.687 nan 8.190 nan 0.000 0.424 227 L N 5.020 126.279 121.223 0.061 0.000 2.353 227 L HA 0.509 4.876 4.340 0.045 0.000 0.270 227 L C -0.059 176.884 176.870 0.121 0.000 1.003 227 L CA 0.055 54.931 54.840 0.059 0.000 0.862 227 L CB 1.550 43.604 42.059 -0.009 0.000 1.221 227 L HN 0.641 nan 8.230 nan 0.000 0.430 228 Q N 1.879 121.807 119.800 0.213 0.000 2.340 228 Q HA 0.421 4.788 4.340 0.045 0.000 0.259 228 Q C 0.310 176.432 176.000 0.204 0.000 0.964 228 Q CA -0.568 55.428 55.803 0.321 0.000 0.900 228 Q CB 1.378 30.405 28.738 0.482 0.000 1.228 228 Q HN 0.578 nan 8.270 nan 0.000 0.449 229 S N 1.044 116.850 115.700 0.178 0.000 3.549 229 S HA -0.179 4.318 4.470 0.045 0.000 0.366 229 S C 0.057 174.816 174.600 0.264 0.000 1.012 229 S CA 0.617 58.941 58.200 0.207 0.000 1.141 229 S CB -1.121 62.221 63.200 0.236 0.000 0.910 229 S HN 0.987 nan 8.310 nan 0.000 0.471 230 G N -0.619 108.301 108.800 0.201 0.000 2.547 230 G HA2 0.653 4.641 3.960 0.045 0.000 0.291 230 G HA3 0.653 4.641 3.960 0.045 0.000 0.291 230 G C -0.950 174.020 174.900 0.116 0.000 1.471 230 G CA 0.177 45.452 45.100 0.291 0.000 0.798 230 G HN 0.959 nan 8.290 nan 0.000 0.504 231 T N -1.705 112.876 114.554 0.045 0.000 2.889 231 T HA 0.724 5.101 4.350 0.045 0.000 0.315 231 T C -2.457 172.110 174.700 -0.221 0.000 1.291 231 T CA -1.310 60.730 62.100 -0.099 0.000 1.028 231 T CB 2.930 71.722 68.868 -0.127 0.000 1.235 231 T HN 0.268 nan 8.240 nan 0.000 0.491 232 P HA 0.007 nan 4.420 nan 0.000 0.220 232 P C 0.350 177.493 177.300 -0.263 0.000 1.152 232 P CA 0.705 63.686 63.100 -0.199 0.000 0.812 232 P CB -0.295 31.341 31.700 -0.106 0.000 0.792 233 N N -0.489 118.074 118.700 -0.228 0.000 2.327 233 N HA 0.379 5.146 4.740 0.045 0.000 0.257 233 N C 0.701 176.009 175.510 -0.338 0.000 1.281 233 N CA 0.081 52.996 53.050 -0.225 0.000 0.942 233 N CB -0.088 38.310 38.487 -0.148 0.000 1.199 233 N HN 0.213 nan 8.380 nan 0.000 0.532 234 G N -1.357 107.271 108.800 -0.287 0.000 2.631 234 G HA2 -0.147 3.840 3.960 0.045 0.000 0.504 234 G HA3 -0.147 3.840 3.960 0.045 0.000 0.504 234 G C -1.976 172.700 174.900 -0.373 0.000 1.306 234 G CA -0.322 44.574 45.100 -0.341 0.000 0.897 234 G HN 0.602 nan 8.290 nan 0.000 0.520 235 P HA 0.087 nan 4.420 nan 0.000 0.225 235 P C 1.498 178.724 177.300 -0.124 0.000 1.156 235 P CA 2.318 65.283 63.100 -0.225 0.000 0.787 235 P CB -0.065 31.439 31.700 -0.327 0.000 0.802 236 W N -1.649 119.561 121.300 -0.151 0.000 2.868 236 W HA 0.618 5.305 4.660 0.045 0.000 0.320 236 W C 0.954 177.546 176.519 0.122 0.000 1.076 236 W CA 0.426 57.759 57.345 -0.020 0.000 1.576 236 W CB -0.634 28.853 29.460 0.046 0.000 1.030 236 W HN -0.160 nan 8.180 nan 0.000 0.558 237 A N 1.789 124.284 122.820 -0.542 0.000 2.147 237 A HA 0.186 4.533 4.320 0.045 0.000 0.211 237 A C 1.062 178.483 177.584 -0.272 0.000 1.160 237 A CA 1.576 53.355 52.037 -0.429 0.000 0.781 237 A CB -0.649 17.811 19.000 -0.900 0.000 0.842 237 A HN 0.174 nan 8.150 nan 0.000 0.475 238 T N -2.472 111.936 114.554 -0.243 0.000 2.906 238 T HA 0.639 5.016 4.350 0.045 0.000 0.295 238 T C -0.538 174.081 174.700 -0.135 0.000 1.075 238 T CA -0.106 61.871 62.100 -0.204 0.000 1.005 238 T CB 1.474 70.232 68.868 -0.184 0.000 1.136 238 T HN 0.828 nan 8.240 nan 0.000 0.498 239 V N -0.940 118.904 119.914 -0.117 0.000 3.074 239 V HA 0.914 5.061 4.120 0.045 0.000 0.314 239 V C 0.261 176.313 176.094 -0.069 0.000 1.117 239 V CA -0.977 61.272 62.300 -0.085 0.000 1.014 239 V CB 1.364 33.137 31.823 -0.082 0.000 1.057 239 V HN 1.317 nan 8.190 nan 0.000 0.438 240 S N 1.173 116.840 115.700 -0.055 0.000 2.614 240 S HA 0.619 5.116 4.470 0.045 0.000 0.265 240 S C 1.427 176.007 174.600 -0.033 0.000 1.303 240 S CA 0.032 58.208 58.200 -0.041 0.000 1.000 240 S CB 1.186 64.364 63.200 -0.036 0.000 0.935 240 S HN 1.916 nan 8.310 nan 0.000 0.551 241 A N 2.376 125.182 122.820 -0.023 0.000 1.884 241 A HA -0.030 4.317 4.320 0.045 0.000 0.219 241 A C 2.273 179.846 177.584 -0.018 0.000 1.197 241 A CA 2.275 54.303 52.037 -0.015 0.000 0.637 241 A CB -2.030 16.964 19.000 -0.010 0.000 0.827 241 A HN 1.239 nan 8.150 nan 0.000 0.450 242 G N -0.679 108.108 108.800 -0.021 0.000 2.491 242 G HA2 -0.316 3.671 3.960 0.045 0.000 0.218 242 G HA3 -0.316 3.671 3.960 0.045 0.000 0.218 242 G C 1.480 176.364 174.900 -0.027 0.000 1.180 242 G CA 1.558 46.645 45.100 -0.021 0.000 0.774 242 G HN 0.622 nan 8.290 nan 0.000 0.562 243 E N 0.754 120.933 120.200 -0.035 0.000 2.152 243 E HA 0.146 4.524 4.350 0.045 0.000 0.192 243 E C 2.565 179.132 176.600 -0.056 0.000 0.983 243 E CA 1.300 57.671 56.400 -0.047 0.000 0.818 243 E CB -0.433 29.233 29.700 -0.056 0.000 0.758 243 E HN 0.313 nan 8.360 nan 0.000 0.467 244 A N 0.582 123.378 122.820 -0.041 0.000 1.929 244 A HA -0.062 4.285 4.320 0.045 0.000 0.216 244 A C 2.231 179.817 177.584 0.004 0.000 1.176 244 A CA 1.305 53.329 52.037 -0.021 0.000 0.628 244 A CB -0.472 18.530 19.000 0.003 0.000 0.816 244 A HN 0.234 nan 8.150 nan 0.000 0.444 245 R N -0.443 120.052 120.500 -0.007 0.000 2.081 245 R HA -0.103 4.265 4.340 0.045 0.000 0.235 245 R C 2.420 178.715 176.300 -0.008 0.000 1.131 245 R CA 1.517 57.612 56.100 -0.008 0.000 0.960 245 R CB -0.280 30.012 30.300 -0.014 0.000 0.856 245 R HN 0.485 nan 8.270 nan 0.000 0.436 246 R N 0.366 120.856 120.500 -0.016 0.000 2.075 246 R HA -0.090 4.278 4.340 0.045 0.000 0.232 246 R C 2.185 178.477 176.300 -0.014 0.000 1.126 246 R CA 1.552 57.641 56.100 -0.018 0.000 0.963 246 R CB -0.031 30.253 30.300 -0.027 0.000 0.858 246 R HN 0.265 nan 8.270 nan 0.000 0.435 247 R N -0.264 120.217 120.500 -0.030 0.000 2.090 247 R HA -0.018 4.349 4.340 0.045 0.000 0.228 247 R C 2.323 178.694 176.300 0.119 0.000 1.110 247 R CA 1.123 57.197 56.100 -0.044 0.000 0.973 247 R CB -0.268 29.870 30.300 -0.270 0.000 0.869 247 R HN 0.202 nan 8.270 nan 0.000 0.440 248 A N 0.912 123.821 122.820 0.149 0.000 1.845 248 A HA -0.155 4.192 4.320 0.045 0.000 0.215 248 A C 2.209 179.806 177.584 0.022 0.000 1.195 248 A CA 2.001 54.108 52.037 0.115 0.000 0.616 248 A CB -1.055 17.952 19.000 0.011 0.000 0.832 248 A HN 0.262 nan 8.150 nan 0.000 0.443 249 T N 0.264 114.819 114.554 0.002 0.000 2.685 249 T HA -0.207 4.170 4.350 0.045 0.000 0.268 249 T C 1.789 176.488 174.700 -0.001 0.000 1.034 249 T CA 1.744 63.837 62.100 -0.011 0.000 1.149 249 T CB -0.412 68.449 68.868 -0.012 0.000 0.860 249 T HN 0.324 nan 8.240 nan 0.000 0.449 250 L N 0.653 121.887 121.223 0.017 0.000 2.156 250 L HA 0.216 4.583 4.340 0.045 0.000 0.208 250 L C 2.092 178.979 176.870 0.029 0.000 1.095 250 L CA 1.317 56.169 54.840 0.020 0.000 0.770 250 L CB -0.889 41.185 42.059 0.025 0.000 0.914 250 L HN 0.209 nan 8.230 nan 0.000 0.439 251 L N -0.250 121.012 121.223 0.065 0.000 2.109 251 L HA 0.023 4.390 4.340 0.045 0.000 0.207 251 L C 2.477 179.337 176.870 -0.016 0.000 1.086 251 L CA 1.781 56.659 54.840 0.064 0.000 0.760 251 L CB -0.762 41.381 42.059 0.140 0.000 0.910 251 L HN 0.243 nan 8.230 nan 0.000 0.437 252 A N -0.358 122.445 122.820 -0.029 0.000 1.877 252 A HA -0.242 4.105 4.320 0.045 0.000 0.216 252 A C 2.528 180.088 177.584 -0.041 0.000 1.186 252 A CA 1.805 53.817 52.037 -0.042 0.000 0.620 252 A CB -0.678 18.293 19.000 -0.048 0.000 0.822 252 A HN 0.471 nan 8.150 nan 0.000 0.443 253 R N -0.500 119.978 120.500 -0.037 0.000 2.083 253 R HA -0.077 4.291 4.340 0.045 0.000 0.237 253 R C 2.002 178.258 176.300 -0.072 0.000 1.137 253 R CA 1.573 57.650 56.100 -0.039 0.000 0.951 253 R CB -0.464 29.820 30.300 -0.027 0.000 0.851 253 R HN 0.552 nan 8.270 nan 0.000 0.434 254 L N 0.727 121.883 121.223 -0.112 0.000 2.261 254 L HA -0.137 4.231 4.340 0.045 0.000 0.216 254 L C 1.994 178.662 176.870 -0.337 0.000 1.114 254 L CA 0.897 55.578 54.840 -0.265 0.000 0.777 254 L CB -0.033 41.813 42.059 -0.355 0.000 0.910 254 L HN 0.217 nan 8.230 nan 0.000 0.440 255 V N -5.093 114.723 119.914 -0.163 0.000 3.578 255 V HA 0.524 4.671 4.120 0.045 0.000 0.290 255 V C 1.142 177.224 176.094 -0.019 0.000 1.376 255 V CA 0.358 62.617 62.300 -0.069 0.000 1.083 255 V CB 0.293 32.119 31.823 0.005 0.000 0.911 255 V HN 0.365 nan 8.190 nan 0.000 0.433 256 G N -0.525 108.258 108.800 -0.028 0.000 2.143 256 G HA2 -0.168 3.819 3.960 0.045 0.000 0.175 256 G HA3 -0.168 3.819 3.960 0.045 0.000 0.175 256 G C -0.050 174.847 174.900 -0.005 0.000 1.004 256 G CA -0.114 44.981 45.100 -0.008 0.000 0.671 256 G HN 0.699 nan 8.290 nan 0.000 0.512 266 D N 1.463 121.856 120.400 -0.011 0.000 2.097 266 D HA -0.097 4.570 4.640 0.045 0.000 0.195 266 D C 1.425 177.718 176.300 -0.012 0.000 0.989 266 D CA 1.945 55.935 54.000 -0.018 0.000 0.827 266 D CB -0.080 40.710 40.800 -0.017 0.000 0.966 266 D HN 0.648 nan 8.370 nan 0.000 0.456 267 T N 1.761 116.314 114.554 -0.001 0.000 2.653 267 T HA -0.173 4.204 4.350 0.045 0.000 0.268 267 T C 1.618 176.324 174.700 0.011 0.000 1.035 267 T CA 1.297 63.402 62.100 0.009 0.000 1.154 267 T CB -0.143 68.731 68.868 0.011 0.000 0.862 267 T HN 0.167 nan 8.240 nan 0.000 0.441 268 E N 0.760 120.963 120.200 0.006 0.000 2.107 268 E HA 0.048 4.425 4.350 0.045 0.000 0.191 268 E C 2.245 178.848 176.600 0.005 0.000 0.982 268 E CA 0.383 56.788 56.400 0.007 0.000 0.809 268 E CB -0.662 29.041 29.700 0.004 0.000 0.756 268 E HN 0.334 nan 8.360 nan 0.000 0.459 269 L N 0.937 122.156 121.223 -0.006 0.000 1.989 269 L HA -0.156 4.211 4.340 0.045 0.000 0.211 269 L C 2.290 179.149 176.870 -0.018 0.000 1.071 269 L CA 1.380 56.208 54.840 -0.019 0.000 0.749 269 L CB -0.346 41.691 42.059 -0.037 0.000 0.890 269 L HN 0.025 nan 8.230 nan 0.000 0.431 270 I N -0.793 119.767 120.570 -0.017 0.000 2.179 270 I HA -0.294 3.903 4.170 0.045 0.000 0.242 270 I C 2.638 178.811 176.117 0.094 0.000 1.088 270 I CA 1.215 62.526 61.300 0.018 0.000 1.357 270 I CB -0.773 37.244 38.000 0.029 0.000 1.051 270 I HN 0.316 nan 8.210 nan 0.000 0.409 271 A N -0.099 122.759 122.820 0.063 0.000 1.927 271 A HA -0.349 3.998 4.320 0.045 0.000 0.220 271 A C 2.553 180.173 177.584 0.059 0.000 1.185 271 A CA 2.307 54.380 52.037 0.060 0.000 0.639 271 A CB -1.520 17.502 19.000 0.037 0.000 0.820 271 A HN 0.657 nan 8.150 nan 0.000 0.451 272 c N -0.651 117.976 118.600 0.046 0.000 2.436 272 c HA -0.043 4.555 4.570 0.045 0.000 0.277 272 c C 2.614 176.743 174.090 0.064 0.000 1.241 272 c CA 1.179 57.532 56.329 0.041 0.000 1.721 272 c CB -1.612 40.912 42.510 0.023 0.000 2.043 272 c HN 0.603 nan 8.230 nan 0.000 0.472 273 L N 0.453 121.726 121.223 0.084 0.000 2.081 273 L HA -0.184 4.183 4.340 0.045 0.000 0.212 273 L C 2.992 179.989 176.870 0.213 0.000 1.080 273 L CA 1.735 56.661 54.840 0.144 0.000 0.754 273 L CB -0.675 41.465 42.059 0.136 0.000 0.893 273 L HN 0.391 nan 8.230 nan 0.000 0.433 274 R N -0.555 120.072 120.500 0.211 0.000 2.193 274 R HA -0.119 4.249 4.340 0.045 0.000 0.229 274 R C 1.882 178.204 176.300 0.038 0.000 1.110 274 R CA 1.637 57.797 56.100 0.100 0.000 0.988 274 R CB -0.437 29.911 30.300 0.079 0.000 0.871 274 R HN 0.489 nan 8.270 nan 0.000 0.458 275 T N -1.327 113.256 114.554 0.047 0.000 3.272 275 T HA 0.139 4.516 4.350 0.045 0.000 0.250 275 T C 0.510 175.226 174.700 0.026 0.000 1.082 275 T CA -0.208 61.907 62.100 0.026 0.000 0.968 275 T CB 0.121 69.004 68.868 0.026 0.000 1.015 275 T HN -0.120 nan 8.240 nan 0.000 0.563 276 R N 2.398 122.921 120.500 0.037 0.000 2.343 276 R HA 0.408 4.775 4.340 0.045 0.000 0.320 276 R C -2.866 173.448 176.300 0.024 0.000 0.956 276 R CA -2.529 53.595 56.100 0.040 0.000 0.836 276 R CB 0.840 31.178 30.300 0.062 0.000 1.151 276 R HN 0.195 nan 8.270 nan 0.000 0.450 277 P HA -0.162 nan 4.420 nan 0.000 0.264 277 P C 0.579 177.863 177.300 -0.025 0.000 1.156 277 P CA 0.480 63.565 63.100 -0.025 0.000 0.756 277 P CB 0.470 32.168 31.700 -0.002 0.000 0.764 278 A N 3.618 126.347 122.820 -0.151 0.000 1.917 278 A HA -0.290 4.057 4.320 0.045 0.000 0.219 278 A C 2.189 179.784 177.584 0.018 0.000 1.182 278 A CA 2.178 54.115 52.037 -0.167 0.000 0.633 278 A CB -1.059 17.332 19.000 -1.015 0.000 0.819 278 A HN 0.549 nan 8.150 nan 0.000 0.448 279 Q N -0.078 119.715 119.800 -0.012 0.000 2.224 279 Q HA -0.144 4.223 4.340 0.045 0.000 0.203 279 Q C 1.249 177.367 176.000 0.196 0.000 0.970 279 Q CA 1.804 57.754 55.803 0.244 0.000 0.865 279 Q CB -0.328 28.553 28.738 0.239 0.000 0.922 279 Q HN 0.638 nan 8.270 nan 0.000 0.445 280 D N -0.240 120.240 120.400 0.134 0.000 2.123 280 D HA -0.174 4.493 4.640 0.045 0.000 0.196 280 D C 1.716 178.114 176.300 0.163 0.000 0.992 280 D CA 1.227 55.314 54.000 0.145 0.000 0.833 280 D CB -0.188 40.681 40.800 0.115 0.000 0.954 280 D HN 0.318 nan 8.370 nan 0.000 0.455 281 L N 0.125 121.419 121.223 0.118 0.000 2.046 281 L HA -0.130 4.238 4.340 0.045 0.000 0.208 281 L C 2.500 179.406 176.870 0.059 0.000 1.077 281 L CA 0.667 55.529 54.840 0.036 0.000 0.747 281 L CB -0.483 41.496 42.059 -0.134 0.000 0.896 281 L HN -0.028 nan 8.230 nan 0.000 0.432 282 V N -0.400 119.617 119.914 0.171 0.000 2.358 282 V HA -0.253 3.894 4.120 0.045 0.000 0.246 282 V C 2.093 178.294 176.094 0.178 0.000 1.047 282 V CA 1.649 64.088 62.300 0.231 0.000 1.035 282 V CB -0.543 31.553 31.823 0.455 0.000 0.658 282 V HN 0.386 nan 8.190 nan 0.000 0.452 283 D N -0.566 119.920 120.400 0.144 0.000 2.191 283 D HA -0.198 4.469 4.640 0.045 0.000 0.195 283 D C 1.822 177.964 176.300 -0.265 0.000 1.003 283 D CA 1.582 55.577 54.000 -0.009 0.000 0.867 283 D CB -0.199 40.578 40.800 -0.039 0.000 0.926 283 D HN 0.527 nan 8.370 nan 0.000 0.450 284 H N -0.785 118.267 119.070 -0.029 0.000 2.672 284 H HA 0.156 4.739 4.556 0.045 0.000 0.277 284 H C 1.507 176.753 175.328 -0.135 0.000 1.074 284 H CA -0.111 55.857 56.048 -0.132 0.000 1.173 284 H CB 0.676 30.471 29.762 0.054 0.000 1.558 284 H HN 0.288 nan 8.280 nan 0.000 0.539 285 E N 0.587 120.757 120.200 -0.049 0.000 2.070 285 E HA -0.206 4.171 4.350 0.045 0.000 0.197 285 E C 0.745 177.194 176.600 -0.252 0.000 1.004 285 E CA 1.253 57.583 56.400 -0.117 0.000 0.805 285 E CB 0.052 29.546 29.700 -0.344 0.000 0.744 285 E HN 0.458 nan 8.360 nan 0.000 0.451 286 W N -0.681 120.524 121.300 -0.158 0.000 3.180 286 W HA 0.056 4.744 4.660 0.046 0.000 0.254 286 W C 1.161 177.706 176.519 0.045 0.000 1.318 286 W CA 0.111 57.375 57.345 -0.134 0.000 1.608 286 W CB 0.163 29.488 29.460 -0.225 0.000 1.124 286 W HN 0.228 nan 8.180 nan 0.000 0.694 287 H N -0.769 118.430 119.070 0.215 0.000 2.529 287 H HA 0.043 4.626 4.556 0.045 0.000 0.277 287 H C 1.847 177.237 175.328 0.104 0.000 1.004 287 H CA 0.326 56.479 56.048 0.176 0.000 1.167 287 H CB 0.380 30.283 29.762 0.235 0.000 1.445 287 H HN 0.120 nan 8.280 nan 0.000 0.554 288 V N -1.585 118.418 119.914 0.148 0.000 3.621 288 V HA 0.206 4.353 4.120 0.045 0.000 0.285 288 V C 0.461 176.539 176.094 -0.027 0.000 1.346 288 V CA -0.158 62.162 62.300 0.033 0.000 1.104 288 V CB -0.371 31.427 31.823 -0.042 0.000 0.913 288 V HN 0.121 nan 8.190 nan 0.000 0.432 289 L N 2.566 123.796 121.223 0.012 0.000 2.410 289 L HA 0.270 4.637 4.340 0.045 0.000 0.273 289 L C -0.320 176.556 176.870 0.009 0.000 1.152 289 L CA -1.088 53.751 54.840 -0.003 0.000 0.855 289 L CB 0.728 42.813 42.059 0.043 0.000 1.129 289 L HN 0.134 nan 8.230 nan 0.000 0.463 290 P HA -0.118 nan 4.420 nan 0.000 0.220 290 P C -0.217 177.086 177.300 0.005 0.000 1.148 290 P CA 1.176 64.272 63.100 -0.006 0.000 0.803 290 P CB 0.392 32.082 31.700 -0.016 0.000 0.782 291 Q N -1.195 118.610 119.800 0.009 0.000 2.416 291 Q HA 0.304 4.671 4.340 0.045 0.000 0.281 291 Q C -0.622 175.391 176.000 0.021 0.000 1.067 291 Q CA -0.700 55.111 55.803 0.013 0.000 0.809 291 Q CB 1.766 30.509 28.738 0.007 0.000 1.418 291 Q HN -0.025 nan 8.270 nan 0.000 0.411 292 E N 1.271 121.485 120.200 0.022 0.000 2.480 292 E HA 0.251 4.629 4.350 0.045 0.000 0.258 292 E C -1.021 175.589 176.600 0.018 0.000 0.984 292 E CA 0.248 56.663 56.400 0.024 0.000 0.930 292 E CB 0.321 30.035 29.700 0.022 0.000 0.936 292 E HN 0.604 nan 8.360 nan 0.000 0.466 293 S N 3.636 119.346 115.700 0.016 0.000 2.567 293 S HA 0.542 5.039 4.470 0.045 0.000 0.270 293 S C -0.478 174.121 174.600 -0.002 0.000 1.152 293 S CA -1.036 57.166 58.200 0.005 0.000 0.835 293 S CB 0.588 63.784 63.200 -0.007 0.000 1.115 293 S HN 0.539 nan 8.310 nan 0.000 0.459 294 I N -2.040 118.530 120.570 0.000 0.000 2.982 294 I HA 0.808 5.005 4.170 0.045 0.000 0.312 294 I C 0.003 176.084 176.117 -0.060 0.000 1.041 294 I CA -1.234 60.071 61.300 0.008 0.000 1.053 294 I CB 0.661 38.717 38.000 0.094 0.000 1.248 294 I HN 0.782 nan 8.210 nan 0.000 0.471 295 F N 1.138 120.874 119.950 -0.357 0.000 3.067 295 F HA -0.217 4.337 4.527 0.045 0.000 0.279 295 F C 0.015 175.229 175.800 -0.976 0.000 0.945 295 F CA 0.872 58.410 58.000 -0.771 0.000 0.948 295 F CB -0.779 37.688 39.000 -0.889 0.000 0.898 295 F HN 0.670 nan 8.300 nan 0.000 0.746 296 R N 0.497 120.463 120.500 -0.890 0.000 2.604 296 R HA 0.714 5.081 4.340 0.045 0.000 0.281 296 R C -1.611 174.266 176.300 -0.707 0.000 1.020 296 R CA -0.436 55.246 56.100 -0.696 0.000 0.899 296 R CB 1.112 31.284 30.300 -0.214 0.000 1.205 296 R HN -0.026 nan 8.270 nan 0.000 0.450 297 F N 0.982 121.049 119.950 0.196 0.000 2.547 297 F HA 0.359 4.913 4.527 0.045 0.000 0.316 297 F C 1.075 176.834 175.800 -0.067 0.000 1.121 297 F CA -0.890 57.187 58.000 0.129 0.000 0.911 297 F CB 2.358 41.535 39.000 0.295 0.000 1.179 297 F HN 0.459 nan 8.300 nan 0.000 0.443 298 S N 1.106 116.721 115.700 -0.142 0.000 2.356 298 S HA -0.029 4.468 4.470 0.045 0.000 0.223 298 S C 0.019 174.191 174.600 -0.713 0.000 1.032 298 S CA 1.240 59.143 58.200 -0.495 0.000 1.005 298 S CB -0.211 62.595 63.200 -0.656 0.000 0.867 298 S HN 0.371 nan 8.310 nan 0.000 0.449 299 F N 1.355 121.312 119.950 0.011 0.000 2.434 299 F HA 0.556 5.110 4.527 0.046 0.000 0.355 299 F C -0.100 175.716 175.800 0.027 0.000 1.115 299 F CA -0.970 57.064 58.000 0.057 0.000 1.010 299 F CB 1.410 40.464 39.000 0.090 0.000 1.234 299 F HN -0.110 nan 8.300 nan 0.000 0.439 300 V N 0.805 120.693 119.914 -0.044 0.000 3.160 300 V HA 0.774 4.921 4.120 0.045 0.000 0.310 300 V C -2.927 172.810 176.094 -0.597 0.000 1.181 300 V CA -3.326 58.640 62.300 -0.556 0.000 1.047 300 V CB 2.111 33.794 31.823 -0.235 0.000 1.068 300 V HN 0.268 nan 8.190 nan 0.000 0.441 301 P HA 0.170 nan 4.420 nan 0.000 0.266 301 P C -0.753 176.401 177.300 -0.243 0.000 1.193 301 P CA 0.373 63.185 63.100 -0.479 0.000 0.770 301 P CB 0.623 31.941 31.700 -0.637 0.000 0.836 302 V N 4.638 124.487 119.914 -0.108 0.000 2.513 302 V HA 0.242 4.389 4.120 0.045 0.000 0.299 302 V C -0.430 175.638 176.094 -0.044 0.000 1.035 302 V CA -0.918 61.345 62.300 -0.062 0.000 0.889 302 V CB 2.031 33.847 31.823 -0.011 0.000 0.988 302 V HN 0.136 nan 8.190 nan 0.000 0.440 303 V N 7.479 127.368 119.914 -0.041 0.000 2.403 303 V HA 0.199 4.347 4.120 0.045 0.000 0.265 303 V C 0.753 176.847 176.094 0.001 0.000 1.034 303 V CA 0.485 62.774 62.300 -0.018 0.000 1.036 303 V CB 0.475 32.282 31.823 -0.027 0.000 1.032 303 V HN 1.063 nan 8.190 nan 0.000 0.478 304 D N 2.893 123.307 120.400 0.025 0.000 2.441 304 D HA 0.151 4.818 4.640 0.045 0.000 0.210 304 D C 1.462 177.782 176.300 0.033 0.000 1.102 304 D CA 0.621 54.640 54.000 0.031 0.000 0.840 304 D CB 0.608 41.438 40.800 0.049 0.000 0.990 304 D HN 0.708 nan 8.370 nan 0.000 0.505 305 G N 0.882 109.702 108.800 0.033 0.000 2.189 305 G HA2 -0.347 3.641 3.960 0.045 0.000 0.267 305 G HA3 -0.347 3.641 3.960 0.045 0.000 0.267 305 G C 0.495 175.415 174.900 0.034 0.000 0.975 305 G CA 0.888 46.004 45.100 0.026 0.000 0.644 305 G HN 0.546 nan 8.290 nan 0.000 0.537 306 D N -1.314 119.122 120.400 0.061 0.000 2.949 306 D HA 0.244 4.912 4.640 0.045 0.000 0.247 306 D C 1.838 178.192 176.300 0.090 0.000 1.552 306 D CA 0.429 54.470 54.000 0.069 0.000 1.231 306 D CB -0.543 40.306 40.800 0.083 0.000 0.990 306 D HN 0.098 nan 8.370 nan 0.000 0.270 307 F N 1.044 120.997 119.950 0.004 0.000 2.095 307 F HA 0.135 4.690 4.527 0.045 0.000 0.298 307 F C 0.626 176.421 175.800 -0.009 0.000 1.104 307 F CA 1.205 59.206 58.000 0.002 0.000 1.232 307 F CB 0.087 39.085 39.000 -0.003 0.000 0.987 307 F HN -0.017 nan 8.300 nan 0.000 0.475 308 L N 0.868 122.257 121.223 0.277 0.000 2.283 308 L HA 0.192 4.559 4.340 0.045 0.000 0.281 308 L C 1.418 178.329 176.870 0.068 0.000 1.033 308 L CA -0.159 54.772 54.840 0.151 0.000 0.848 308 L CB 1.263 43.398 42.059 0.127 0.000 1.226 308 L HN 0.099 nan 8.230 nan 0.000 0.429 309 S N 0.552 116.273 115.700 0.035 0.000 2.423 309 S HA -0.046 4.451 4.470 0.045 0.000 0.231 309 S C 0.521 175.127 174.600 0.011 0.000 1.014 309 S CA 0.703 58.912 58.200 0.015 0.000 0.965 309 S CB 0.157 63.356 63.200 -0.002 0.000 0.785 309 S HN 0.699 nan 8.310 nan 0.000 0.495 310 D N -0.009 120.398 120.400 0.012 0.000 2.812 310 D HA 0.340 5.007 4.640 0.045 0.000 0.318 310 D C -0.750 175.551 176.300 0.001 0.000 1.234 310 D CA 0.100 54.102 54.000 0.003 0.000 0.989 310 D CB 1.357 42.157 40.800 0.000 0.000 1.442 310 D HN 0.251 nan 8.370 nan 0.000 0.537 311 T N -1.142 113.406 114.554 -0.011 0.000 2.900 311 T HA 0.262 4.640 4.350 0.045 0.000 0.307 311 T C -1.818 172.871 174.700 -0.019 0.000 1.065 311 T CA -0.746 61.339 62.100 -0.024 0.000 1.105 311 T CB 1.035 69.882 68.868 -0.035 0.000 0.979 311 T HN 0.094 nan 8.240 nan 0.000 0.544 312 P HA -0.119 nan 4.420 nan 0.000 0.216 312 P C 1.482 178.770 177.300 -0.019 0.000 1.150 312 P CA 1.293 64.375 63.100 -0.030 0.000 0.843 312 P CB 0.055 31.708 31.700 -0.078 0.000 0.787 313 E N -0.027 120.151 120.200 -0.035 0.000 2.058 313 E HA -0.236 4.141 4.350 0.045 0.000 0.194 313 E C 1.956 178.558 176.600 0.003 0.000 0.997 313 E CA 1.628 58.015 56.400 -0.022 0.000 0.801 313 E CB -0.814 28.866 29.700 -0.033 0.000 0.746 313 E HN 0.072 nan 8.360 nan 0.000 0.450 314 A N 0.945 123.765 122.820 0.000 0.000 1.883 314 A HA -0.176 4.171 4.320 0.045 0.000 0.217 314 A C 2.297 179.897 177.584 0.027 0.000 1.186 314 A CA 1.650 53.691 52.037 0.008 0.000 0.624 314 A CB -0.834 18.165 19.000 -0.000 0.000 0.822 314 A HN 0.373 nan 8.150 nan 0.000 0.444 315 L N -0.247 120.999 121.223 0.038 0.000 2.141 315 L HA -0.142 4.225 4.340 0.045 0.000 0.209 315 L C 2.572 179.533 176.870 0.152 0.000 1.094 315 L CA 1.458 56.340 54.840 0.070 0.000 0.763 315 L CB -0.591 41.512 42.059 0.073 0.000 0.908 315 L HN 0.698 nan 8.230 nan 0.000 0.437 316 I N -3.205 117.452 120.570 0.145 0.000 2.406 316 I HA -0.102 4.095 4.170 0.045 0.000 0.249 316 I C 2.099 178.333 176.117 0.196 0.000 1.122 316 I CA 1.098 62.529 61.300 0.217 0.000 1.431 316 I CB -0.480 37.567 38.000 0.078 0.000 1.087 316 I HN 0.108 nan 8.210 nan 0.000 0.424 317 N N 1.479 120.240 118.700 0.101 0.000 2.149 317 N HA -0.157 4.610 4.740 0.045 0.000 0.188 317 N C 1.895 177.443 175.510 0.063 0.000 1.019 317 N CA 2.326 55.420 53.050 0.074 0.000 0.857 317 N CB -0.545 37.966 38.487 0.039 0.000 0.997 317 N HN 0.703 nan 8.380 nan 0.000 0.426 318 T N -3.411 111.168 114.554 0.041 0.000 3.054 318 T HA 0.320 4.698 4.350 0.045 0.000 0.255 318 T C 0.909 175.554 174.700 -0.092 0.000 1.035 318 T CA -0.339 61.753 62.100 -0.013 0.000 0.941 318 T CB 0.035 68.889 68.868 -0.023 0.000 1.026 318 T HN 0.066 nan 8.240 nan 0.000 0.533 319 G N 0.824 109.546 108.800 -0.130 0.000 2.606 319 G HA2 0.425 4.413 3.960 0.045 0.000 0.252 319 G HA3 0.425 4.413 3.960 0.045 0.000 0.252 319 G C -1.147 173.276 174.900 -0.795 0.000 1.206 319 G CA -0.468 44.303 45.100 -0.548 0.000 0.861 319 G HN 0.381 nan 8.290 nan 0.000 0.561 320 D N -0.592 119.266 120.400 -0.902 0.000 2.440 320 D HA 0.434 5.101 4.640 0.045 0.000 0.239 320 D C -0.692 175.229 176.300 -0.632 0.000 1.084 320 D CA -0.684 52.961 54.000 -0.592 0.000 0.843 320 D CB 0.642 41.272 40.800 -0.284 0.000 1.097 320 D HN 0.093 nan 8.370 nan 0.000 0.531 321 F N 2.581 122.533 119.950 0.003 0.000 2.928 321 F HA 0.233 4.787 4.527 0.046 0.000 0.337 321 F C 1.828 177.632 175.800 0.007 0.000 1.259 321 F CA -0.566 57.438 58.000 0.008 0.000 1.267 321 F CB 0.477 39.489 39.000 0.021 0.000 0.986 321 F HN 0.298 nan 8.300 nan 0.000 0.507 322 Q N 0.379 120.233 119.800 0.090 0.000 1.975 322 Q HA -0.151 4.216 4.340 0.045 0.000 0.205 322 Q C 0.407 176.445 176.000 0.064 0.000 0.990 322 Q CA 1.483 57.322 55.803 0.060 0.000 0.845 322 Q CB -0.141 28.607 28.738 0.016 0.000 0.913 322 Q HN 0.358 nan 8.270 nan 0.000 0.420 323 D N 0.419 120.849 120.400 0.051 0.000 3.072 323 D HA 0.222 4.889 4.640 0.045 0.000 0.250 323 D C -0.611 175.720 176.300 0.053 0.000 1.304 323 D CA -0.012 54.012 54.000 0.039 0.000 0.861 323 D CB -0.201 40.608 40.800 0.014 0.000 1.062 323 D HN -0.020 nan 8.370 nan 0.000 0.481 324 L N 0.918 122.195 121.223 0.090 0.000 2.381 324 L HA 0.350 4.718 4.340 0.045 0.000 0.274 324 L C -1.141 175.799 176.870 0.116 0.000 0.988 324 L CA -0.539 54.366 54.840 0.109 0.000 0.824 324 L CB 2.074 44.229 42.059 0.161 0.000 1.263 324 L HN -0.221 nan 8.230 nan 0.000 0.410 325 Q N 3.458 123.338 119.800 0.134 0.000 2.322 325 Q HA 0.760 5.127 4.340 0.045 0.000 0.265 325 Q C -1.316 174.915 176.000 0.386 0.000 0.985 325 Q CA -0.421 55.512 55.803 0.217 0.000 0.849 325 Q CB 2.582 31.397 28.738 0.130 0.000 1.274 325 Q HN 0.482 nan 8.270 nan 0.000 0.449 326 V N 2.953 123.064 119.914 0.328 0.000 2.588 326 V HA 0.451 4.598 4.120 0.045 0.000 0.304 326 V C -1.326 174.736 176.094 -0.053 0.000 1.042 326 V CA -0.874 61.537 62.300 0.184 0.000 0.877 326 V CB 1.918 33.757 31.823 0.026 0.000 0.996 326 V HN 0.606 nan 8.190 nan 0.000 0.425 327 L N 7.317 128.279 121.223 -0.435 0.000 2.287 327 L HA 0.843 5.210 4.340 0.045 0.000 0.287 327 L C -0.465 176.243 176.870 -0.270 0.000 1.022 327 L CA -0.017 54.460 54.840 -0.605 0.000 0.814 327 L CB 1.511 42.748 42.059 -1.371 0.000 1.217 327 L HN 0.558 nan 8.230 nan 0.000 0.420 328 V N 2.226 122.037 119.914 -0.173 0.000 2.876 328 V HA 1.112 5.259 4.120 0.045 0.000 0.312 328 V C 0.013 175.818 176.094 -0.483 0.000 1.085 328 V CA 0.043 62.221 62.300 -0.205 0.000 0.945 328 V CB 1.025 32.715 31.823 -0.221 0.000 1.017 328 V HN 0.990 nan 8.190 nan 0.000 0.428 329 G N 0.826 109.184 108.800 -0.737 0.000 2.488 329 G HA2 0.804 4.791 3.960 0.045 0.000 0.301 329 G HA3 0.804 4.791 3.960 0.045 0.000 0.301 329 G C -1.212 173.353 174.900 -0.558 0.000 1.339 329 G CA 0.046 44.336 45.100 -1.349 0.000 0.803 329 G HN 1.950 nan 8.290 nan 0.000 0.482 330 V N -2.497 117.260 119.914 -0.262 0.000 3.160 330 V HA 0.927 5.074 4.120 0.045 0.000 0.310 330 V C 0.235 176.532 176.094 0.337 0.000 1.181 330 V CA -0.394 61.963 62.300 0.095 0.000 1.047 330 V CB 1.097 32.945 31.823 0.042 0.000 1.068 330 V HN 1.815 nan 8.190 nan 0.000 0.441 331 V N -0.824 119.292 119.914 0.337 0.000 3.096 331 V HA 0.591 4.738 4.120 0.045 0.000 0.319 331 V C 1.319 177.605 176.094 0.321 0.000 1.082 331 V CA 0.000 62.546 62.300 0.409 0.000 1.022 331 V CB 1.371 33.422 31.823 0.379 0.000 1.103 331 V HN 1.093 nan 8.190 nan 0.000 0.455 332 K N -0.384 120.206 120.400 0.317 0.000 2.211 332 K HA -0.022 4.325 4.320 0.045 0.000 0.203 332 K C 0.286 177.017 176.600 0.217 0.000 1.050 332 K CA 1.697 58.127 56.287 0.239 0.000 0.945 332 K CB 0.103 32.724 32.500 0.202 0.000 0.732 332 K HN 0.900 nan 8.250 nan 0.000 0.451 333 D N 1.074 121.613 120.400 0.231 0.000 2.861 333 D HA 0.025 4.692 4.640 0.045 0.000 0.357 333 D C 0.031 176.479 176.300 0.247 0.000 1.250 333 D CA -0.093 54.037 54.000 0.217 0.000 0.802 333 D CB 1.164 42.075 40.800 0.185 0.000 1.141 333 D HN 0.130 nan 8.370 nan 0.000 0.489 334 E N 0.518 120.873 120.200 0.259 0.000 2.187 334 E HA -0.159 4.218 4.350 0.045 0.000 0.199 334 E C 1.866 178.679 176.600 0.354 0.000 1.004 334 E CA 0.957 57.544 56.400 0.312 0.000 0.813 334 E CB 0.131 29.971 29.700 0.234 0.000 0.736 334 E HN 0.432 nan 8.360 nan 0.000 0.468 335 G N 0.583 109.554 108.800 0.284 0.000 2.838 335 G HA2 -0.105 3.882 3.960 0.045 0.000 0.210 335 G HA3 -0.105 3.882 3.960 0.045 0.000 0.210 335 G C 1.666 176.778 174.900 0.353 0.000 1.153 335 G CA 0.640 45.932 45.100 0.320 0.000 0.778 335 G HN 0.345 nan 8.290 nan 0.000 0.539 336 S N 0.139 116.002 115.700 0.272 0.000 2.356 336 S HA -0.217 4.280 4.470 0.045 0.000 0.223 336 S C 2.085 176.746 174.600 0.102 0.000 1.032 336 S CA 1.203 59.531 58.200 0.214 0.000 1.005 336 S CB -0.795 62.448 63.200 0.071 0.000 0.867 336 S HN 0.363 nan 8.310 nan 0.000 0.449 337 Y N 1.950 122.147 120.300 -0.172 0.000 2.102 337 Y HA -0.236 4.341 4.550 0.045 0.000 0.280 337 Y C 1.847 177.570 175.900 -0.296 0.000 1.178 337 Y CA 2.084 59.899 58.100 -0.476 0.000 1.146 337 Y CB -0.608 37.396 38.460 -0.759 0.000 0.968 337 Y HN 0.296 nan 8.280 nan 0.000 0.504 338 F N -0.966 119.088 119.950 0.173 0.000 2.456 338 F HA -0.110 4.444 4.527 0.044 0.000 0.298 338 F C 2.042 177.926 175.800 0.139 0.000 1.104 338 F CA 0.651 58.733 58.000 0.137 0.000 1.435 338 F CB -0.592 38.438 39.000 0.051 0.000 1.078 338 F HN -0.002 nan 8.300 nan 0.000 0.546 339 L N 0.148 121.508 121.223 0.228 0.000 2.079 339 L HA -0.195 4.172 4.340 0.045 0.000 0.210 339 L C 2.550 179.531 176.870 0.185 0.000 1.081 339 L CA 1.343 56.200 54.840 0.029 0.000 0.752 339 L CB -1.022 40.829 42.059 -0.347 0.000 0.896 339 L HN 0.212 nan 8.230 nan 0.000 0.433 340 V N -4.250 115.836 119.914 0.287 0.000 2.913 340 V HA -0.221 3.926 4.120 0.045 0.000 0.260 340 V C 1.380 177.527 176.094 0.089 0.000 1.098 340 V CA 1.074 63.536 62.300 0.269 0.000 1.121 340 V CB -1.103 30.907 31.823 0.311 0.000 0.714 340 V HN 0.321 nan 8.190 nan 0.000 0.487 341 Y N 1.806 122.158 120.300 0.087 0.000 2.645 341 Y HA 0.643 5.220 4.550 0.045 0.000 0.307 341 Y C 1.621 177.525 175.900 0.006 0.000 1.151 341 Y CA 0.285 58.400 58.100 0.025 0.000 1.291 341 Y CB 0.428 38.896 38.460 0.015 0.000 1.135 341 Y HN 0.428 nan 8.280 nan 0.000 0.523 342 G N -1.282 107.600 108.800 0.136 0.000 3.732 342 G HA2 -0.086 3.901 3.960 0.045 0.000 0.220 342 G HA3 -0.086 3.901 3.960 0.045 0.000 0.220 342 G C -0.834 174.125 174.900 0.100 0.000 0.903 342 G CA -0.461 44.694 45.100 0.091 0.000 0.896 342 G HN -0.022 nan 8.290 nan 0.000 0.685 343 V N 2.385 122.383 119.914 0.140 0.000 2.318 343 V HA 0.408 4.556 4.120 0.045 0.000 0.271 343 V C -1.989 174.280 176.094 0.292 0.000 1.030 343 V CA -1.872 60.535 62.300 0.178 0.000 0.844 343 V CB 1.181 33.057 31.823 0.088 0.000 1.015 343 V HN 0.044 nan 8.190 nan 0.000 0.460 344 P HA 0.114 nan 4.420 nan 0.000 0.259 344 P C 1.072 178.469 177.300 0.161 0.000 1.163 344 P CA 1.696 64.885 63.100 0.147 0.000 0.760 344 P CB 0.385 32.141 31.700 0.093 0.000 0.762 345 G N 1.503 110.328 108.800 0.042 0.000 2.179 345 G HA2 -0.214 3.773 3.960 0.045 0.000 0.220 345 G HA3 -0.214 3.773 3.960 0.045 0.000 0.220 345 G C -0.222 174.442 174.900 -0.392 0.000 0.990 345 G CA -0.648 44.341 45.100 -0.185 0.000 0.646 345 G HN 0.404 nan 8.290 nan 0.000 0.517 346 F N 1.405 121.358 119.950 0.005 0.000 2.467 346 F HA 0.785 5.339 4.527 0.044 0.000 0.336 346 F C 0.451 176.338 175.800 0.146 0.000 1.123 346 F CA -0.216 57.806 58.000 0.036 0.000 0.964 346 F CB 2.395 41.456 39.000 0.103 0.000 1.136 346 F HN 0.218 nan 8.300 nan 0.000 0.447 347 S N 1.842 117.761 115.700 0.364 0.000 2.547 347 S HA 0.312 4.809 4.470 0.045 0.000 0.270 347 S C 0.152 175.020 174.600 0.447 0.000 1.150 347 S CA -0.888 57.528 58.200 0.360 0.000 0.850 347 S CB 1.400 64.719 63.200 0.198 0.000 1.118 347 S HN 0.726 nan 8.310 nan 0.000 0.461 348 K N 1.229 121.785 120.400 0.260 0.000 2.504 348 K HA 0.161 4.508 4.320 0.045 0.000 0.195 348 K C 0.322 176.923 176.600 0.003 0.000 1.036 348 K CA 1.211 57.552 56.287 0.091 0.000 0.984 348 K CB -0.020 32.263 32.500 -0.362 0.000 0.788 348 K HN 0.415 nan 8.250 nan 0.000 0.488 349 D N 0.444 120.852 120.400 0.012 0.000 2.338 349 D HA -0.013 4.655 4.640 0.045 0.000 0.208 349 D C 0.200 176.512 176.300 0.020 0.000 0.997 349 D CA 0.510 54.481 54.000 -0.047 0.000 0.880 349 D CB 0.068 40.825 40.800 -0.071 0.000 0.980 349 D HN 0.499 nan 8.370 nan 0.000 0.509 350 N N -0.388 118.354 118.700 0.070 0.000 2.992 350 N HA 0.161 4.928 4.740 0.045 0.000 0.338 350 N C 0.471 176.045 175.510 0.106 0.000 1.376 350 N CA -0.460 52.618 53.050 0.047 0.000 0.778 350 N CB 0.418 38.895 38.487 -0.018 0.000 1.232 350 N HN -0.295 nan 8.380 nan 0.000 0.581 351 E N -1.021 119.166 120.200 -0.021 0.000 2.474 351 E HA 0.148 4.526 4.350 0.045 0.000 0.195 351 E C -0.544 175.722 176.600 -0.555 0.000 1.039 351 E CA -0.053 56.280 56.400 -0.113 0.000 0.881 351 E CB -0.039 29.626 29.700 -0.059 0.000 0.970 351 E HN 0.527 nan 8.360 nan 0.000 0.486 352 S N 0.493 115.891 115.700 -0.503 0.000 3.587 352 S HA -0.195 4.302 4.470 0.045 0.000 0.337 352 S C 0.270 174.422 174.600 -0.747 0.000 1.119 352 S CA 0.201 57.949 58.200 -0.753 0.000 0.976 352 S CB -1.803 60.698 63.200 -1.165 0.000 0.922 352 S HN 0.329 nan 8.310 nan 0.000 0.503 353 L N 1.772 122.721 121.223 -0.458 0.000 2.597 353 L HA 0.266 4.634 4.340 0.045 0.000 0.271 353 L C 0.841 177.515 176.870 -0.326 0.000 1.157 353 L CA 0.128 54.767 54.840 -0.335 0.000 0.928 353 L CB -0.206 41.728 42.059 -0.208 0.000 1.216 353 L HN 0.429 nan 8.230 nan 0.000 0.481 354 I N 0.323 120.695 120.570 -0.329 0.000 2.924 354 I HA 0.634 4.831 4.170 0.045 0.000 0.316 354 I C 0.624 176.672 176.117 -0.115 0.000 1.014 354 I CA -0.611 60.537 61.300 -0.253 0.000 1.106 354 I CB 1.719 39.555 38.000 -0.273 0.000 1.311 354 I HN 0.539 nan 8.210 nan 0.000 0.502 355 S N 1.975 117.640 115.700 -0.058 0.000 2.693 355 S HA 0.399 4.896 4.470 0.045 0.000 0.276 355 S C 0.949 175.579 174.600 0.050 0.000 1.192 355 S CA -0.511 57.681 58.200 -0.013 0.000 0.994 355 S CB 1.605 64.802 63.200 -0.006 0.000 1.012 355 S HN 0.858 nan 8.310 nan 0.000 0.550 356 R N 0.562 121.094 120.500 0.054 0.000 2.091 356 R HA -0.077 4.290 4.340 0.045 0.000 0.238 356 R C 2.322 178.720 176.300 0.164 0.000 1.136 356 R CA 1.824 57.994 56.100 0.118 0.000 0.959 356 R CB -1.162 29.183 30.300 0.075 0.000 0.856 356 R HN 0.832 nan 8.270 nan 0.000 0.437 357 A N 0.305 123.185 122.820 0.099 0.000 1.933 357 A HA -0.192 4.155 4.320 0.045 0.000 0.218 357 A C 2.047 179.684 177.584 0.089 0.000 1.175 357 A CA 1.489 53.575 52.037 0.082 0.000 0.628 357 A CB -0.462 18.569 19.000 0.051 0.000 0.814 357 A HN 0.523 nan 8.150 nan 0.000 0.444 358 Q N -1.918 117.941 119.800 0.098 0.000 2.170 358 Q HA -0.135 4.232 4.340 0.045 0.000 0.203 358 Q C 1.809 177.920 176.000 0.186 0.000 0.976 358 Q CA 1.563 57.433 55.803 0.112 0.000 0.858 358 Q CB -0.252 28.530 28.738 0.073 0.000 0.907 358 Q HN 0.828 nan 8.270 nan 0.000 0.433 359 F N 0.565 120.556 119.950 0.069 0.000 2.234 359 F HA -0.089 4.469 4.527 0.052 0.000 0.296 359 F C 1.600 177.444 175.800 0.074 0.000 1.089 359 F CA 0.753 58.806 58.000 0.088 0.000 1.343 359 F CB 0.156 39.195 39.000 0.064 0.000 1.040 359 F HN -0.060 nan 8.300 nan 0.000 0.498 360 L N 0.196 121.355 121.223 -0.106 0.000 2.141 360 L HA -0.136 4.231 4.340 0.045 0.000 0.209 360 L C 2.774 179.561 176.870 -0.137 0.000 1.094 360 L CA 1.099 55.826 54.840 -0.189 0.000 0.763 360 L CB -1.474 40.568 42.059 -0.028 0.000 0.908 360 L HN 0.265 nan 8.230 nan 0.000 0.437 361 A N 0.704 123.495 122.820 -0.048 0.000 1.897 361 A HA -0.009 4.338 4.320 0.045 0.000 0.215 361 A C 2.446 180.018 177.584 -0.020 0.000 1.181 361 A CA 1.336 53.363 52.037 -0.015 0.000 0.620 361 A CB -1.087 17.928 19.000 0.025 0.000 0.821 361 A HN 0.396 nan 8.150 nan 0.000 0.443 362 G N -0.319 108.478 108.800 -0.005 0.000 2.442 362 G HA2 -0.164 3.824 3.960 0.045 0.000 0.219 362 G HA3 -0.164 3.824 3.960 0.045 0.000 0.219 362 G C 1.468 176.321 174.900 -0.078 0.000 1.141 362 G CA 1.354 46.460 45.100 0.010 0.000 0.763 362 G HN 0.322 nan 8.290 nan 0.000 0.554 363 V N 0.924 120.715 119.914 -0.206 0.000 2.515 363 V HA -0.097 4.050 4.120 0.045 0.000 0.250 363 V C 2.888 178.924 176.094 -0.096 0.000 1.058 363 V CA 1.470 63.648 62.300 -0.203 0.000 1.064 363 V CB -0.360 31.244 31.823 -0.365 0.000 0.675 363 V HN 0.231 nan 8.190 nan 0.000 0.461 364 R N -0.153 120.301 120.500 -0.076 0.000 2.148 364 R HA 0.081 4.448 4.340 0.045 0.000 0.227 364 R C 1.967 178.255 176.300 -0.020 0.000 1.103 364 R CA 1.171 57.249 56.100 -0.038 0.000 0.983 364 R CB -0.596 29.689 30.300 -0.025 0.000 0.874 364 R HN 0.476 nan 8.270 nan 0.000 0.451 365 I N -0.731 119.828 120.570 -0.017 0.000 2.585 365 I HA -0.007 4.191 4.170 0.045 0.000 0.254 365 I C 2.221 178.339 176.117 0.002 0.000 1.129 365 I CA 1.004 62.304 61.300 0.000 0.000 1.455 365 I CB -0.362 37.647 38.000 0.015 0.000 1.111 365 I HN 0.148 nan 8.210 nan 0.000 0.433 366 G N 0.564 109.359 108.800 -0.009 0.000 2.448 366 G HA2 -0.040 3.947 3.960 0.045 0.000 0.218 366 G HA3 -0.040 3.947 3.960 0.045 0.000 0.218 366 G C 0.859 175.772 174.900 0.022 0.000 1.135 366 G CA 0.436 45.537 45.100 0.001 0.000 0.784 366 G HN 0.228 nan 8.290 nan 0.000 0.543 367 V N 2.055 121.962 119.914 -0.012 0.000 2.361 367 V HA 0.222 4.369 4.120 0.045 0.000 0.252 367 V C -1.476 174.610 176.094 -0.013 0.000 0.986 367 V CA -1.065 61.199 62.300 -0.061 0.000 1.033 367 V CB 1.479 33.240 31.823 -0.104 0.000 1.282 367 V HN 0.094 nan 8.190 nan 0.000 0.514 368 P HA -0.097 nan 4.420 nan 0.000 0.226 368 P C 0.981 178.288 177.300 0.011 0.000 1.153 368 P CA 0.858 63.965 63.100 0.012 0.000 0.777 368 P CB 0.573 32.281 31.700 0.014 0.000 0.794 369 Q N -0.303 119.511 119.800 0.024 0.000 2.403 369 Q HA 0.263 4.630 4.340 0.045 0.000 0.203 369 Q C 0.675 176.676 176.000 0.001 0.000 0.932 369 Q CA -0.072 55.741 55.803 0.016 0.000 0.945 369 Q CB -0.451 28.308 28.738 0.033 0.000 1.045 369 Q HN 0.173 nan 8.270 nan 0.000 0.511 370 A N 0.590 123.405 122.820 -0.007 0.000 2.328 370 A HA 0.508 4.856 4.320 0.045 0.000 0.284 370 A C 0.314 177.890 177.584 -0.015 0.000 1.160 370 A CA -0.501 51.526 52.037 -0.017 0.000 0.818 370 A CB 0.321 19.309 19.000 -0.020 0.000 1.087 370 A HN 0.330 nan 8.150 nan 0.000 0.504 371 S N 2.112 117.801 115.700 -0.019 0.000 2.596 371 S HA 0.086 4.583 4.470 0.045 0.000 0.260 371 S C 0.375 174.972 174.600 -0.005 0.000 1.336 371 S CA 0.020 58.212 58.200 -0.014 0.000 0.993 371 S CB 0.435 63.623 63.200 -0.021 0.000 0.923 371 S HN 0.645 nan 8.310 nan 0.000 0.567 372 D N 0.187 120.588 120.400 0.001 0.000 2.123 372 D HA -0.100 4.567 4.640 0.045 0.000 0.196 372 D C 1.810 178.123 176.300 0.021 0.000 0.992 372 D CA 0.882 54.888 54.000 0.010 0.000 0.833 372 D CB -0.452 40.355 40.800 0.011 0.000 0.954 372 D HN 0.406 nan 8.370 nan 0.000 0.455 373 L N 1.224 122.459 121.223 0.020 0.000 2.017 373 L HA -0.111 4.257 4.340 0.045 0.000 0.208 373 L C 2.242 179.143 176.870 0.052 0.000 1.073 373 L CA 1.865 56.728 54.840 0.037 0.000 0.745 373 L CB -0.914 41.161 42.059 0.028 0.000 0.894 373 L HN -0.015 nan 8.230 nan 0.000 0.432 374 A N -0.641 122.190 122.820 0.019 0.000 1.908 374 A HA -0.146 4.201 4.320 0.045 0.000 0.218 374 A C 2.443 180.053 177.584 0.044 0.000 1.181 374 A CA 1.990 54.034 52.037 0.012 0.000 0.627 374 A CB -1.194 17.778 19.000 -0.046 0.000 0.818 374 A HN 0.585 nan 8.150 nan 0.000 0.445 375 A N -0.546 122.290 122.820 0.027 0.000 1.902 375 A HA -0.145 4.202 4.320 0.045 0.000 0.217 375 A C 1.960 179.576 177.584 0.054 0.000 1.181 375 A CA 2.106 54.156 52.037 0.022 0.000 0.623 375 A CB -0.495 18.503 19.000 -0.003 0.000 0.818 375 A HN 0.523 nan 8.150 nan 0.000 0.443 376 E N 0.092 120.333 120.200 0.070 0.000 2.058 376 E HA -0.102 4.275 4.350 0.045 0.000 0.194 376 E C 2.134 178.821 176.600 0.145 0.000 0.997 376 E CA 1.600 58.060 56.400 0.101 0.000 0.801 376 E CB -0.482 29.272 29.700 0.091 0.000 0.746 376 E HN 0.493 nan 8.360 nan 0.000 0.450 377 A N -0.068 122.855 122.820 0.173 0.000 1.917 377 A HA -0.209 4.138 4.320 0.045 0.000 0.219 377 A C 2.486 180.189 177.584 0.198 0.000 1.182 377 A CA 1.867 54.050 52.037 0.244 0.000 0.633 377 A CB -0.853 18.403 19.000 0.428 0.000 0.819 377 A HN 0.206 nan 8.150 nan 0.000 0.448 378 V N -0.578 119.474 119.914 0.231 0.000 2.244 378 V HA -0.226 3.921 4.120 0.045 0.000 0.244 378 V C 2.580 178.854 176.094 0.300 0.000 1.042 378 V CA 1.923 64.364 62.300 0.236 0.000 1.006 378 V CB -0.891 31.039 31.823 0.179 0.000 0.641 378 V HN 0.373 nan 8.190 nan 0.000 0.446 379 V N 0.118 120.158 119.914 0.211 0.000 2.282 379 V HA -0.317 3.831 4.120 0.045 0.000 0.249 379 V C 2.333 178.646 176.094 0.364 0.000 1.057 379 V CA 2.317 64.782 62.300 0.276 0.000 1.032 379 V CB -0.660 31.256 31.823 0.155 0.000 0.645 379 V HN 0.458 nan 8.190 nan 0.000 0.447 380 L N -0.795 120.616 121.223 0.313 0.000 2.131 380 L HA -0.199 4.169 4.340 0.045 0.000 0.210 380 L C 2.535 179.601 176.870 0.327 0.000 1.092 380 L CA 1.952 57.041 54.840 0.415 0.000 0.759 380 L CB -0.816 41.422 42.059 0.298 0.000 0.903 380 L HN 0.466 nan 8.230 nan 0.000 0.435 381 H N -0.783 118.284 119.070 -0.005 0.000 2.357 381 H HA -0.175 4.410 4.556 0.049 0.000 0.301 381 H C 1.814 177.034 175.328 -0.180 0.000 1.082 381 H CA 1.859 57.749 56.048 -0.263 0.000 1.342 381 H CB 0.056 29.336 29.762 -0.802 0.000 1.389 381 H HN 0.247 nan 8.280 nan 0.000 0.511 382 Y N -0.219 120.134 120.300 0.088 0.000 2.510 382 Y HA 0.136 4.712 4.550 0.044 0.000 0.273 382 Y C 0.753 176.599 175.900 -0.091 0.000 1.119 382 Y CA 0.324 58.475 58.100 0.085 0.000 1.286 382 Y CB 0.348 39.007 38.460 0.331 0.000 1.061 382 Y HN 0.016 nan 8.280 nan 0.000 0.542 383 T N 1.954 116.472 114.554 -0.060 0.000 2.867 383 T HA -0.099 4.278 4.350 0.045 0.000 0.297 383 T C -0.121 174.194 174.700 -0.642 0.000 0.989 383 T CA -0.065 61.713 62.100 -0.537 0.000 1.159 383 T CB 0.087 68.329 68.868 -1.044 0.000 0.928 383 T HN 0.091 nan 8.240 nan 0.000 0.538 384 D N 2.464 122.567 120.400 -0.495 0.000 2.359 384 D HA 0.036 4.703 4.640 0.045 0.000 0.250 384 D C 0.238 176.268 176.300 -0.450 0.000 1.264 384 D CA -0.484 53.287 54.000 -0.381 0.000 0.911 384 D CB 0.302 40.906 40.800 -0.328 0.000 1.056 384 D HN 0.635 nan 8.370 nan 0.000 0.499 385 W N 3.079 124.292 121.300 -0.144 0.000 2.611 385 W HA -0.043 4.642 4.660 0.042 0.000 0.251 385 W C 1.965 178.366 176.519 -0.196 0.000 1.265 385 W CA -0.147 57.115 57.345 -0.138 0.000 1.295 385 W CB -0.038 29.357 29.460 -0.110 0.000 1.129 385 W HN 0.442 nan 8.180 nan 0.000 0.630 386 L N -1.382 119.741 121.223 -0.167 0.000 2.240 386 L HA -0.063 4.305 4.340 0.045 0.000 0.211 386 L C 0.269 176.756 176.870 -0.638 0.000 1.106 386 L CA 1.077 55.662 54.840 -0.424 0.000 0.793 386 L CB -0.460 41.233 42.059 -0.609 0.000 0.927 386 L HN 0.026 nan 8.230 nan 0.000 0.446 387 H N -1.660 117.290 119.070 -0.201 0.000 2.439 387 H HA 0.165 4.730 4.556 0.014 0.000 0.230 387 H C -1.811 173.360 175.328 -0.261 0.000 1.420 387 H CA -1.419 54.495 56.048 -0.224 0.000 1.305 387 H CB 0.065 29.625 29.762 -0.337 0.000 1.667 387 H HN -0.059 nan 8.280 nan 0.000 0.515 388 P HA -0.180 nan 4.420 nan 0.000 0.219 388 P C 0.514 177.692 177.300 -0.202 0.000 1.146 388 P CA 1.330 64.260 63.100 -0.283 0.000 0.808 388 P CB 0.597 32.220 31.700 -0.128 0.000 0.779 389 E N -0.988 119.159 120.200 -0.089 0.000 2.660 389 E HA 0.056 4.433 4.350 0.045 0.000 0.216 389 E C -0.214 176.364 176.600 -0.037 0.000 0.986 389 E CA -0.310 56.056 56.400 -0.057 0.000 1.037 389 E CB 0.095 29.785 29.700 -0.018 0.000 1.041 389 E HN 0.132 nan 8.360 nan 0.000 0.480 390 D N 2.343 122.731 120.400 -0.019 0.000 2.382 390 D HA -0.013 4.654 4.640 0.045 0.000 0.259 390 D C -1.194 175.096 176.300 -0.017 0.000 1.224 390 D CA -1.778 52.231 54.000 0.016 0.000 0.894 390 D CB 1.142 42.008 40.800 0.111 0.000 1.127 390 D HN -0.100 nan 8.370 nan 0.000 0.487 391 P HA -0.202 nan 4.420 nan 0.000 0.215 391 P C 1.192 178.430 177.300 -0.105 0.000 1.157 391 P CA 1.403 64.450 63.100 -0.089 0.000 0.874 391 P CB -0.025 31.614 31.700 -0.101 0.000 0.790 392 T N -1.093 113.401 114.554 -0.100 0.000 2.720 392 T HA -0.192 4.186 4.350 0.045 0.000 0.268 392 T C 1.706 176.315 174.700 -0.153 0.000 1.037 392 T CA 1.807 63.825 62.100 -0.136 0.000 1.144 392 T CB -1.058 67.710 68.868 -0.168 0.000 0.864 392 T HN 0.317 nan 8.240 nan 0.000 0.444 393 H N 0.550 119.556 119.070 -0.106 0.000 2.299 393 H HA 0.117 4.693 4.556 0.033 0.000 0.302 393 H C 2.227 177.455 175.328 -0.166 0.000 1.078 393 H CA 1.208 57.189 56.048 -0.111 0.000 1.323 393 H CB -0.373 29.316 29.762 -0.122 0.000 1.381 393 H HN 0.169 nan 8.280 nan 0.000 0.498 394 L N 0.186 121.338 121.223 -0.119 0.000 2.042 394 L HA -0.215 4.152 4.340 0.045 0.000 0.210 394 L C 2.774 179.569 176.870 -0.125 0.000 1.076 394 L CA 1.192 55.833 54.840 -0.332 0.000 0.749 394 L CB -0.345 41.546 42.059 -0.281 0.000 0.893 394 L HN 0.271 nan 8.230 nan 0.000 0.432 395 R N 0.568 121.052 120.500 -0.026 0.000 2.070 395 R HA -0.186 4.181 4.340 0.045 0.000 0.233 395 R C 1.720 178.138 176.300 0.196 0.000 1.137 395 R CA 2.208 58.372 56.100 0.106 0.000 0.945 395 R CB -0.512 29.718 30.300 -0.117 0.000 0.845 395 R HN 0.322 nan 8.270 nan 0.000 0.430 396 D N 0.505 120.971 120.400 0.111 0.000 2.178 396 D HA -0.105 4.563 4.640 0.045 0.000 0.201 396 D C 1.718 178.119 176.300 0.168 0.000 0.980 396 D CA 1.387 55.480 54.000 0.155 0.000 0.842 396 D CB -0.203 40.652 40.800 0.091 0.000 0.948 396 D HN 0.397 nan 8.370 nan 0.000 0.472 397 A N 0.655 123.540 122.820 0.108 0.000 1.898 397 A HA -0.165 4.182 4.320 0.045 0.000 0.216 397 A C 2.141 179.850 177.584 0.209 0.000 1.181 397 A CA 1.552 53.672 52.037 0.139 0.000 0.620 397 A CB -0.493 18.438 19.000 -0.116 0.000 0.819 397 A HN 0.139 nan 8.150 nan 0.000 0.442 398 M N 0.143 119.917 119.600 0.290 0.000 2.080 398 M HA -0.119 4.388 4.480 0.045 0.000 0.260 398 M C 2.319 178.686 176.300 0.112 0.000 1.068 398 M CA 2.200 57.685 55.300 0.308 0.000 1.109 398 M CB -0.703 32.104 32.600 0.345 0.000 1.342 398 M HN 0.429 nan 8.290 nan 0.000 0.405 399 S N -0.315 115.469 115.700 0.141 0.000 2.353 399 S HA -0.142 4.355 4.470 0.045 0.000 0.222 399 S C 2.080 176.763 174.600 0.138 0.000 1.035 399 S CA 1.837 60.132 58.200 0.158 0.000 1.025 399 S CB -0.744 62.612 63.200 0.260 0.000 0.902 399 S HN 0.642 nan 8.310 nan 0.000 0.440 400 A N 1.004 123.922 122.820 0.163 0.000 1.892 400 A HA -0.058 4.289 4.320 0.045 0.000 0.218 400 A C 2.394 180.021 177.584 0.072 0.000 1.188 400 A CA 2.035 54.192 52.037 0.200 0.000 0.631 400 A CB -1.339 17.879 19.000 0.363 0.000 0.822 400 A HN 0.477 nan 8.150 nan 0.000 0.447 401 V N -0.346 119.450 119.914 -0.197 0.000 2.231 401 V HA -0.305 3.842 4.120 0.045 0.000 0.248 401 V C 2.607 178.653 176.094 -0.080 0.000 1.054 401 V CA 2.320 64.456 62.300 -0.273 0.000 1.015 401 V CB -0.955 30.723 31.823 -0.243 0.000 0.638 401 V HN 0.403 nan 8.190 nan 0.000 0.444 402 V N 0.666 120.546 119.914 -0.056 0.000 2.255 402 V HA -0.211 3.936 4.120 0.045 0.000 0.247 402 V C 2.636 178.617 176.094 -0.187 0.000 1.051 402 V CA 2.333 64.577 62.300 -0.093 0.000 1.018 402 V CB -1.548 30.270 31.823 -0.008 0.000 0.641 402 V HN 0.631 nan 8.190 nan 0.000 0.445 403 G N -0.395 108.371 108.800 -0.058 0.000 2.418 403 G HA2 -0.245 3.742 3.960 0.045 0.000 0.217 403 G HA3 -0.245 3.742 3.960 0.045 0.000 0.217 403 G C 1.230 176.053 174.900 -0.129 0.000 1.158 403 G CA 1.092 46.162 45.100 -0.050 0.000 0.771 403 G HN 0.515 nan 8.290 nan 0.000 0.545 404 D N -0.186 120.161 120.400 -0.088 0.000 2.084 404 D HA -0.087 4.580 4.640 0.045 0.000 0.196 404 D C 2.117 178.095 176.300 -0.536 0.000 0.985 404 D CA 1.341 55.256 54.000 -0.141 0.000 0.826 404 D CB -0.607 40.296 40.800 0.171 0.000 0.978 404 D HN 0.387 nan 8.370 nan 0.000 0.456 405 H N 1.047 119.513 119.070 -1.007 0.000 2.352 405 H HA -0.031 4.552 4.556 0.045 0.000 0.299 405 H C 1.515 176.402 175.328 -0.735 0.000 1.097 405 H CA 1.860 57.079 56.048 -1.382 0.000 1.311 405 H CB -0.023 28.913 29.762 -1.377 0.000 1.377 405 H HN 0.016 nan 8.280 nan 0.000 0.504 406 N N -0.902 117.322 118.700 -0.794 0.000 2.402 406 N HA -0.006 4.761 4.740 0.045 0.000 0.174 406 N C 1.406 176.650 175.510 -0.443 0.000 1.027 406 N CA 1.172 53.704 53.050 -0.864 0.000 0.891 406 N CB 0.874 38.296 38.487 -1.775 0.000 1.016 406 N HN 0.284 nan 8.380 nan 0.000 0.439 407 V N -0.282 119.431 119.914 -0.335 0.000 3.134 407 V HA 0.051 4.198 4.120 0.045 0.000 0.222 407 V C 2.205 178.248 176.094 -0.084 0.000 1.247 407 V CA 0.248 62.486 62.300 -0.104 0.000 1.281 407 V CB -0.112 31.715 31.823 0.006 0.000 1.169 407 V HN -0.157 nan 8.190 nan 0.000 0.512 408 V N 0.053 119.920 119.914 -0.080 0.000 2.295 408 V HA -0.280 3.867 4.120 0.045 0.000 0.246 408 V C 2.513 178.569 176.094 -0.064 0.000 1.049 408 V CA 2.489 64.760 62.300 -0.049 0.000 1.024 408 V CB -0.901 30.927 31.823 0.008 0.000 0.648 408 V HN 0.649 nan 8.190 nan 0.000 0.447 409 c N -0.110 118.440 118.600 -0.083 0.000 2.446 409 c HA -0.001 4.596 4.570 0.045 0.000 0.277 409 c C 0.624 174.673 174.090 -0.069 0.000 1.275 409 c CA 1.046 57.350 56.329 -0.040 0.000 1.727 409 c CB -1.934 40.575 42.510 -0.003 0.000 2.010 409 c HN 0.469 nan 8.230 nan 0.000 0.486 410 P HA -0.063 nan 4.420 nan 0.000 0.216 410 P C 1.740 178.975 177.300 -0.109 0.000 1.150 410 P CA 1.267 64.293 63.100 -0.123 0.000 0.837 410 P CB -0.207 31.392 31.700 -0.170 0.000 0.786 411 V N 0.299 120.149 119.914 -0.106 0.000 2.332 411 V HA -0.283 3.865 4.120 0.045 0.000 0.248 411 V C 2.491 178.484 176.094 -0.168 0.000 1.055 411 V CA 2.349 64.569 62.300 -0.134 0.000 1.038 411 V CB -1.654 30.084 31.823 -0.141 0.000 0.651 411 V HN 0.109 nan 8.190 nan 0.000 0.450 412 A N -0.514 122.228 122.820 -0.131 0.000 1.902 412 A HA -0.324 4.023 4.320 0.045 0.000 0.217 412 A C 2.223 179.773 177.584 -0.056 0.000 1.181 412 A CA 2.244 54.217 52.037 -0.107 0.000 0.623 412 A CB -0.561 18.432 19.000 -0.013 0.000 0.818 412 A HN 0.653 nan 8.150 nan 0.000 0.443 413 Q N -0.690 119.088 119.800 -0.036 0.000 2.050 413 Q HA -0.163 4.204 4.340 0.045 0.000 0.202 413 Q C 1.941 177.917 176.000 -0.040 0.000 0.980 413 Q CA 1.871 57.665 55.803 -0.015 0.000 0.840 413 Q CB -0.378 28.350 28.738 -0.016 0.000 0.898 413 Q HN 0.512 nan 8.270 nan 0.000 0.424 414 L N 0.549 121.720 121.223 -0.087 0.000 2.017 414 L HA -0.105 4.262 4.340 0.045 0.000 0.208 414 L C 2.341 179.134 176.870 -0.128 0.000 1.073 414 L CA 2.185 56.957 54.840 -0.113 0.000 0.745 414 L CB -0.902 41.074 42.059 -0.139 0.000 0.894 414 L HN 0.347 nan 8.230 nan 0.000 0.432 415 A N -0.424 122.285 122.820 -0.185 0.000 1.892 415 A HA -0.192 4.156 4.320 0.045 0.000 0.218 415 A C 2.336 179.918 177.584 -0.004 0.000 1.188 415 A CA 1.979 53.860 52.037 -0.261 0.000 0.631 415 A CB -1.732 16.837 19.000 -0.718 0.000 0.822 415 A HN 0.566 nan 8.150 nan 0.000 0.447 416 G N -0.882 107.971 108.800 0.089 0.000 2.421 416 G HA2 -0.200 3.787 3.960 0.045 0.000 0.216 416 G HA3 -0.200 3.787 3.960 0.045 0.000 0.216 416 G C 1.688 176.661 174.900 0.121 0.000 1.171 416 G CA 0.874 46.094 45.100 0.200 0.000 0.775 416 G HN 0.404 nan 8.290 nan 0.000 0.543 417 R N 0.354 120.894 120.500 0.067 0.000 2.062 417 R HA 0.106 4.473 4.340 0.045 0.000 0.231 417 R C 2.714 179.073 176.300 0.097 0.000 1.136 417 R CA 0.577 56.727 56.100 0.082 0.000 0.948 417 R CB -1.393 28.951 30.300 0.072 0.000 0.845 417 R HN 0.400 nan 8.270 nan 0.000 0.430 418 L N 0.448 121.664 121.223 -0.013 0.000 2.043 418 L HA -0.224 4.143 4.340 0.045 0.000 0.212 418 L C 2.578 179.491 176.870 0.072 0.000 1.075 418 L CA 1.735 56.529 54.840 -0.076 0.000 0.752 418 L CB -0.703 41.220 42.059 -0.226 0.000 0.891 418 L HN 0.195 nan 8.230 nan 0.000 0.432 419 A N -0.256 122.618 122.820 0.089 0.000 1.898 419 A HA -0.094 4.254 4.320 0.045 0.000 0.216 419 A C 2.537 180.179 177.584 0.096 0.000 1.181 419 A CA 1.486 53.587 52.037 0.107 0.000 0.620 419 A CB -0.702 18.401 19.000 0.172 0.000 0.819 419 A HN 0.395 nan 8.150 nan 0.000 0.442 420 A N -1.001 121.881 122.820 0.103 0.000 1.978 420 A HA -0.182 4.166 4.320 0.045 0.000 0.220 420 A C 1.845 179.487 177.584 0.097 0.000 1.170 420 A CA 1.783 53.871 52.037 0.086 0.000 0.636 420 A CB -0.356 18.695 19.000 0.085 0.000 0.810 420 A HN 0.569 nan 8.150 nan 0.000 0.448 421 Q N -1.699 118.192 119.800 0.152 0.000 2.237 421 Q HA 0.402 4.769 4.340 0.045 0.000 0.252 421 Q C 0.817 176.920 176.000 0.172 0.000 0.877 421 Q CA 0.535 56.439 55.803 0.169 0.000 1.011 421 Q CB 0.289 29.183 28.738 0.260 0.000 1.118 421 Q HN 0.823 nan 8.270 nan 0.000 0.458 422 G N -0.824 108.052 108.800 0.126 0.000 2.175 422 G HA2 -0.277 3.710 3.960 0.045 0.000 0.244 422 G HA3 -0.277 3.710 3.960 0.045 0.000 0.244 422 G C 0.257 175.226 174.900 0.114 0.000 0.982 422 G CA -0.103 45.056 45.100 0.099 0.000 0.641 422 G HN 0.563 nan 8.290 nan 0.000 0.527 423 A N -0.095 122.811 122.820 0.144 0.000 2.322 423 A HA 0.762 5.109 4.320 0.045 0.000 0.269 423 A C 0.631 178.245 177.584 0.051 0.000 1.094 423 A CA 0.267 52.369 52.037 0.109 0.000 0.807 423 A CB 0.440 19.489 19.000 0.083 0.000 1.047 423 A HN 0.711 nan 8.150 nan 0.000 0.487 424 R N 1.436 121.961 120.500 0.043 0.000 2.221 424 R HA 0.508 4.875 4.340 0.045 0.000 0.327 424 R C -1.569 174.704 176.300 -0.046 0.000 1.033 424 R CA -0.090 56.000 56.100 -0.017 0.000 0.887 424 R CB 0.436 30.760 30.300 0.041 0.000 1.057 424 R HN 0.457 nan 8.270 nan 0.000 0.455 425 V N 5.953 125.755 119.914 -0.186 0.000 2.531 425 V HA 0.370 4.517 4.120 0.045 0.000 0.301 425 V C -1.215 174.677 176.094 -0.337 0.000 1.034 425 V CA -0.794 61.422 62.300 -0.140 0.000 0.865 425 V CB 1.554 33.368 31.823 -0.014 0.000 0.995 425 V HN 0.665 nan 8.190 nan 0.000 0.424 426 Y N 2.476 122.712 120.300 -0.106 0.000 2.364 426 Y HA 0.802 5.379 4.550 0.045 0.000 0.340 426 Y C 0.381 176.285 175.900 0.007 0.000 0.975 426 Y CA -0.515 57.486 58.100 -0.166 0.000 1.089 426 Y CB 2.177 40.196 38.460 -0.734 0.000 1.192 426 Y HN 0.757 nan 8.280 nan 0.000 0.454 427 A N 3.228 126.357 122.820 0.515 0.000 2.380 427 A HA 0.868 5.216 4.320 0.045 0.000 0.315 427 A C -1.796 176.205 177.584 0.695 0.000 1.101 427 A CA -0.688 51.576 52.037 0.379 0.000 0.771 427 A CB 1.051 20.096 19.000 0.076 0.000 1.287 427 A HN 0.746 nan 8.150 nan 0.000 0.436 428 Y N -0.702 119.853 120.300 0.425 0.000 2.615 428 Y HA 0.811 5.388 4.550 0.045 0.000 0.341 428 Y C -1.169 174.897 175.900 0.276 0.000 1.089 428 Y CA -1.703 56.611 58.100 0.358 0.000 1.049 428 Y CB 1.322 40.021 38.460 0.399 0.000 1.296 428 Y HN 0.707 nan 8.280 nan 0.000 0.470 429 I N 2.877 123.777 120.570 0.550 0.000 2.499 429 I HA 0.485 4.683 4.170 0.045 0.000 0.288 429 I C -1.932 174.521 176.117 0.559 0.000 1.048 429 I CA -1.030 60.550 61.300 0.467 0.000 1.062 429 I CB 1.284 39.472 38.000 0.315 0.000 1.238 429 I HN 0.730 nan 8.210 nan 0.000 0.426 430 F N 7.140 127.365 119.950 0.458 0.000 2.410 430 F HA 0.442 4.997 4.527 0.046 0.000 0.349 430 F C 0.540 176.496 175.800 0.260 0.000 1.117 430 F CA 0.111 58.321 58.000 0.350 0.000 1.104 430 F CB 1.087 40.301 39.000 0.356 0.000 1.122 430 F HN 0.555 nan 8.300 nan 0.000 0.483 431 E N 2.762 122.828 120.200 -0.224 0.000 2.641 431 E HA -0.030 4.347 4.350 0.045 0.000 0.224 431 E C -0.871 175.641 176.600 -0.148 0.000 0.951 431 E CA -0.146 56.215 56.400 -0.066 0.000 1.102 431 E CB 0.326 30.009 29.700 -0.028 0.000 1.091 431 E HN 0.519 nan 8.360 nan 0.000 0.507 432 H N 1.544 120.294 119.070 -0.534 0.000 2.652 432 H HA 0.239 4.822 4.556 0.045 0.000 0.298 432 H C -0.393 174.940 175.328 0.008 0.000 1.076 432 H CA -0.392 55.426 56.048 -0.383 0.000 1.360 432 H CB 0.421 29.757 29.762 -0.710 0.000 1.421 432 H HN -0.165 nan 8.280 nan 0.000 0.464 433 R N 4.068 124.322 120.500 -0.410 0.000 2.316 433 R HA 0.392 4.759 4.340 0.045 0.000 0.314 433 R C -0.387 175.650 176.300 -0.438 0.000 1.069 433 R CA -0.352 55.605 56.100 -0.238 0.000 0.959 433 R CB 0.176 30.416 30.300 -0.099 0.000 0.987 433 R HN 0.835 nan 8.270 nan 0.000 0.446 434 A N 3.361 126.219 122.820 0.064 0.000 2.567 434 A HA -0.023 4.325 4.320 0.045 0.000 0.240 434 A C 1.399 179.095 177.584 0.186 0.000 1.053 434 A CA 0.592 52.864 52.037 0.393 0.000 0.755 434 A CB 0.240 19.582 19.000 0.570 0.000 0.978 434 A HN 1.038 nan 8.150 nan 0.000 0.507 435 S N 1.945 117.794 115.700 0.250 0.000 2.400 435 S HA -0.200 4.297 4.470 0.045 0.000 0.232 435 S C 1.546 176.160 174.600 0.025 0.000 1.025 435 S CA 1.804 60.078 58.200 0.123 0.000 0.993 435 S CB -1.041 62.253 63.200 0.157 0.000 0.808 435 S HN 1.326 nan 8.310 nan 0.000 0.478 436 T N -0.679 113.856 114.554 -0.032 0.000 3.160 436 T HA 0.276 4.653 4.350 0.045 0.000 0.257 436 T C 0.464 175.108 174.700 -0.093 0.000 1.147 436 T CA -0.339 61.669 62.100 -0.153 0.000 1.064 436 T CB -0.696 67.926 68.868 -0.411 0.000 0.949 436 T HN 0.297 nan 8.240 nan 0.000 0.526 437 L N 3.507 124.718 121.223 -0.021 0.000 2.499 437 L HA 0.225 4.592 4.340 0.045 0.000 0.273 437 L C 1.545 178.387 176.870 -0.048 0.000 1.195 437 L CA 0.622 55.443 54.840 -0.032 0.000 0.882 437 L CB 0.826 42.871 42.059 -0.023 0.000 1.133 437 L HN 0.381 nan 8.230 nan 0.000 0.483 438 T N -0.594 113.902 114.554 -0.096 0.000 3.060 438 T HA 0.117 4.495 4.350 0.045 0.000 0.249 438 T C 0.233 174.944 174.700 0.019 0.000 1.079 438 T CA -0.429 61.610 62.100 -0.101 0.000 1.013 438 T CB -0.271 68.405 68.868 -0.319 0.000 0.975 438 T HN 0.416 nan 8.240 nan 0.000 0.518 439 W N 3.338 124.648 121.300 0.016 0.000 2.161 439 W HA 0.445 5.131 4.660 0.045 0.000 0.344 439 W C -2.054 174.374 176.519 -0.151 0.000 1.262 439 W CA -2.179 55.141 57.345 -0.042 0.000 1.270 439 W CB 0.164 29.528 29.460 -0.161 0.000 1.126 439 W HN -0.062 nan 8.180 nan 0.000 0.598 440 P HA 0.040 nan 4.420 nan 0.000 0.272 440 P C 0.553 177.782 177.300 -0.119 0.000 1.240 440 P CA -0.054 63.010 63.100 -0.059 0.000 0.791 440 P CB 0.877 32.554 31.700 -0.038 0.000 0.978 441 L N 0.224 121.441 121.223 -0.010 0.000 2.081 441 L HA -0.167 4.200 4.340 0.045 0.000 0.212 441 L C 2.578 179.477 176.870 0.047 0.000 1.080 441 L CA 1.683 56.537 54.840 0.024 0.000 0.754 441 L CB -1.026 41.075 42.059 0.071 0.000 0.893 441 L HN 0.612 nan 8.230 nan 0.000 0.433 442 W N -0.654 120.688 121.300 0.071 0.000 2.468 442 W HA -0.140 4.546 4.660 0.044 0.000 0.262 442 W C 1.686 178.265 176.519 0.102 0.000 1.241 442 W CA 0.539 57.931 57.345 0.077 0.000 1.232 442 W CB -0.738 28.768 29.460 0.078 0.000 1.124 442 W HN 0.210 nan 8.180 nan 0.000 0.597 443 M N 1.290 120.578 119.600 -0.521 0.000 2.595 443 M HA 0.141 4.648 4.480 0.045 0.000 0.248 443 M C 1.845 178.075 176.300 -0.117 0.000 1.119 443 M CA 1.271 56.268 55.300 -0.506 0.000 1.079 443 M CB -0.575 31.556 32.600 -0.782 0.000 1.472 443 M HN 0.171 nan 8.290 nan 0.000 0.501 444 G N 0.875 109.655 108.800 -0.033 0.000 2.629 444 G HA2 -0.298 3.689 3.960 0.045 0.000 0.313 444 G HA3 -0.298 3.689 3.960 0.045 0.000 0.313 444 G C -0.068 174.858 174.900 0.043 0.000 1.217 444 G CA -0.005 45.119 45.100 0.039 0.000 0.994 444 G HN 0.256 nan 8.290 nan 0.000 0.549 445 V N 3.674 123.655 119.914 0.113 0.000 2.288 445 V HA 0.477 4.624 4.120 0.045 0.000 0.266 445 V C -1.821 174.404 176.094 0.217 0.000 1.048 445 V CA -0.832 61.582 62.300 0.191 0.000 0.842 445 V CB 1.144 33.134 31.823 0.278 0.000 1.064 445 V HN 0.535 nan 8.190 nan 0.000 0.472 446 P HA 0.207 nan 4.420 nan 0.000 0.279 446 P C -0.371 177.126 177.300 0.329 0.000 1.252 446 P CA -0.584 62.638 63.100 0.203 0.000 0.811 446 P CB 0.396 32.116 31.700 0.032 0.000 1.035 447 H N 0.781 119.915 119.070 0.108 0.000 3.145 447 H HA 0.280 4.863 4.556 0.045 0.000 0.288 447 H C 1.410 176.598 175.328 -0.232 0.000 0.969 447 H CA 2.162 58.203 56.048 -0.011 0.000 1.444 447 H CB -0.875 28.875 29.762 -0.020 0.000 1.500 447 H HN 0.746 nan 8.280 nan 0.000 0.552 448 G N 3.615 112.097 108.800 -0.529 0.000 2.231 448 G HA2 -0.278 3.709 3.960 0.045 0.000 0.206 448 G HA3 -0.278 3.709 3.960 0.045 0.000 0.206 448 G C 0.414 175.107 174.900 -0.345 0.000 0.996 448 G CA 0.175 44.913 45.100 -0.605 0.000 0.645 448 G HN 0.611 nan 8.290 nan 0.000 0.498 449 Y N 1.660 122.012 120.300 0.087 0.000 2.495 449 Y HA 0.282 4.860 4.550 0.046 0.000 0.293 449 Y C 2.197 178.180 175.900 0.138 0.000 1.186 449 Y CA 0.811 59.030 58.100 0.199 0.000 1.266 449 Y CB 0.465 39.090 38.460 0.274 0.000 1.101 449 Y HN 0.469 nan 8.280 nan 0.000 0.517 450 E N 0.025 120.149 120.200 -0.128 0.000 2.431 450 E HA -0.022 4.355 4.350 0.045 0.000 0.200 450 E C 1.514 177.985 176.600 -0.216 0.000 0.995 450 E CA 0.488 56.518 56.400 -0.617 0.000 0.915 450 E CB -0.344 28.514 29.700 -1.404 0.000 0.930 450 E HN 0.539 nan 8.360 nan 0.000 0.496 451 I N 3.002 123.533 120.570 -0.065 0.000 2.127 451 I HA -0.317 3.880 4.170 0.045 0.000 0.241 451 I C 2.742 178.852 176.117 -0.011 0.000 1.075 451 I CA 2.170 63.487 61.300 0.028 0.000 1.334 451 I CB -0.537 37.551 38.000 0.148 0.000 1.040 451 I HN 0.207 nan 8.210 nan 0.000 0.405 452 E N 1.197 121.333 120.200 -0.107 0.000 2.171 452 E HA -0.265 4.112 4.350 0.045 0.000 0.197 452 E C 2.068 178.428 176.600 -0.401 0.000 0.997 452 E CA 1.703 57.940 56.400 -0.271 0.000 0.810 452 E CB -0.603 28.904 29.700 -0.322 0.000 0.738 452 E HN 0.451 nan 8.360 nan 0.000 0.467 453 F N 1.242 121.058 119.950 -0.223 0.000 2.149 453 F HA -0.034 4.520 4.527 0.046 0.000 0.294 453 F C 2.409 177.956 175.800 -0.421 0.000 1.095 453 F CA 0.570 58.373 58.000 -0.328 0.000 1.276 453 F CB -0.191 38.668 39.000 -0.235 0.000 1.023 453 F HN -0.033 nan 8.300 nan 0.000 0.480 454 I N -0.714 119.676 120.570 -0.300 0.000 2.208 454 I HA -0.302 3.895 4.170 0.045 0.000 0.245 454 I C 2.259 178.116 176.117 -0.434 0.000 1.097 454 I CA 1.662 62.620 61.300 -0.570 0.000 1.363 454 I CB -1.606 35.891 38.000 -0.838 0.000 1.051 454 I HN 0.086 nan 8.210 nan 0.000 0.413 455 F N 0.957 120.722 119.950 -0.308 0.000 2.502 455 F HA 0.115 4.669 4.527 0.045 0.000 0.298 455 F C 1.919 177.605 175.800 -0.190 0.000 1.111 455 F CA 1.163 59.029 58.000 -0.223 0.000 1.445 455 F CB -0.194 38.654 39.000 -0.254 0.000 1.081 455 F HN 0.319 nan 8.300 nan 0.000 0.558 456 G N -0.214 108.449 108.800 -0.228 0.000 2.131 456 G HA2 -0.227 3.760 3.960 0.045 0.000 0.201 456 G HA3 -0.227 3.760 3.960 0.045 0.000 0.201 456 G C 1.003 175.310 174.900 -0.989 0.000 1.000 456 G CA 0.202 45.031 45.100 -0.450 0.000 0.680 456 G HN 0.299 nan 8.290 nan 0.000 0.514 457 L N -0.298 120.429 121.223 -0.827 0.000 2.083 457 L HA -0.055 4.312 4.340 0.045 0.000 0.209 457 L C 0.179 176.581 176.870 -0.781 0.000 1.083 457 L CA 2.094 56.410 54.840 -0.873 0.000 0.752 457 L CB -1.440 40.367 42.059 -0.420 0.000 0.899 457 L HN 0.162 nan 8.230 nan 0.000 0.433 458 P HA -0.177 nan 4.420 nan 0.000 0.224 458 P C 1.732 178.845 177.300 -0.312 0.000 1.142 458 P CA 1.140 63.856 63.100 -0.641 0.000 0.778 458 P CB -0.032 31.268 31.700 -0.667 0.000 0.764 459 L N -1.627 119.318 121.223 -0.463 0.000 2.465 459 L HA -0.021 4.346 4.340 0.045 0.000 0.224 459 L C 0.956 177.759 176.870 -0.112 0.000 1.145 459 L CA 0.771 55.448 54.840 -0.272 0.000 0.834 459 L CB -0.715 41.182 42.059 -0.269 0.000 0.944 459 L HN 0.024 nan 8.230 nan 0.000 0.451 460 D N 1.073 121.392 120.400 -0.135 0.000 2.365 460 D HA 0.123 4.790 4.640 0.045 0.000 0.237 460 D C -1.638 174.692 176.300 0.050 0.000 1.190 460 D CA -1.838 52.199 54.000 0.061 0.000 0.867 460 D CB 1.802 42.685 40.800 0.137 0.000 1.050 460 D HN -0.043 nan 8.370 nan 0.000 0.491 461 P HA -0.093 nan 4.420 nan 0.000 0.223 461 P C 1.201 178.517 177.300 0.027 0.000 1.151 461 P CA 0.629 63.752 63.100 0.038 0.000 0.787 461 P CB 0.140 31.858 31.700 0.030 0.000 0.788 462 S N -1.294 114.420 115.700 0.024 0.000 2.603 462 S HA -0.003 4.495 4.470 0.045 0.000 0.229 462 S C 1.444 176.032 174.600 -0.020 0.000 0.972 462 S CA 0.602 58.803 58.200 0.002 0.000 0.935 462 S CB -1.283 61.919 63.200 0.004 0.000 0.769 462 S HN 0.111 nan 8.310 nan 0.000 0.536 463 L N 0.502 121.720 121.223 -0.010 0.000 2.616 463 L HA 0.279 4.646 4.340 0.045 0.000 0.229 463 L C 0.064 176.824 176.870 -0.184 0.000 1.110 463 L CA -0.189 54.604 54.840 -0.079 0.000 0.884 463 L CB -0.403 41.655 42.059 -0.001 0.000 1.115 463 L HN 0.199 nan 8.230 nan 0.000 0.481 464 N N -1.434 117.217 118.700 -0.081 0.000 2.747 464 N HA -0.246 4.522 4.740 0.045 0.000 0.249 464 N C -0.589 174.861 175.510 -0.099 0.000 1.107 464 N CA 0.777 53.777 53.050 -0.083 0.000 0.707 464 N CB -2.111 36.313 38.487 -0.105 0.000 1.054 464 N HN 0.269 nan 8.380 nan 0.000 0.555 465 Y N 1.238 121.529 120.300 -0.014 0.000 2.336 465 Y HA 0.168 4.745 4.550 0.045 0.000 0.331 465 Y C 1.966 177.895 175.900 0.047 0.000 1.211 465 Y CA 0.137 58.254 58.100 0.028 0.000 1.346 465 Y CB 0.539 39.002 38.460 0.004 0.000 1.271 465 Y HN 0.139 nan 8.280 nan 0.000 0.538 466 T N -1.863 112.845 114.554 0.257 0.000 2.802 466 T HA -0.006 4.371 4.350 0.045 0.000 0.305 466 T C 1.214 175.998 174.700 0.139 0.000 1.053 466 T CA -0.181 62.016 62.100 0.161 0.000 1.058 466 T CB 0.722 69.678 68.868 0.147 0.000 0.988 466 T HN 0.746 nan 8.240 nan 0.000 0.539 467 T N 1.366 115.971 114.554 0.084 0.000 2.788 467 T HA -0.064 4.313 4.350 0.045 0.000 0.268 467 T C 1.818 176.550 174.700 0.053 0.000 1.044 467 T CA 1.753 63.888 62.100 0.058 0.000 1.139 467 T CB -0.383 68.507 68.868 0.036 0.000 0.867 467 T HN 0.766 nan 8.240 nan 0.000 0.454 468 E N 1.232 121.460 120.200 0.048 0.000 2.077 468 E HA -0.094 4.283 4.350 0.045 0.000 0.193 468 E C 2.254 178.881 176.600 0.046 0.000 0.989 468 E CA 1.016 57.425 56.400 0.015 0.000 0.800 468 E CB -0.150 29.534 29.700 -0.026 0.000 0.746 468 E HN 0.547 nan 8.360 nan 0.000 0.452 469 E N 0.274 120.547 120.200 0.122 0.000 2.110 469 E HA -0.180 4.197 4.350 0.045 0.000 0.193 469 E C 2.118 178.848 176.600 0.215 0.000 0.988 469 E CA 0.542 57.104 56.400 0.271 0.000 0.804 469 E CB -0.014 29.980 29.700 0.491 0.000 0.745 469 E HN 0.029 nan 8.360 nan 0.000 0.458 470 R N 0.972 121.534 120.500 0.104 0.000 2.096 470 R HA -0.119 4.248 4.340 0.045 0.000 0.235 470 R C 2.051 178.355 176.300 0.008 0.000 1.127 470 R CA 1.017 57.123 56.100 0.011 0.000 0.968 470 R CB -0.255 30.049 30.300 0.007 0.000 0.861 470 R HN 0.229 nan 8.270 nan 0.000 0.440 471 I N 0.113 120.707 120.570 0.040 0.000 2.333 471 I HA -0.229 3.968 4.170 0.045 0.000 0.246 471 I C 2.125 178.276 176.117 0.056 0.000 1.106 471 I CA 0.602 61.918 61.300 0.026 0.000 1.411 471 I CB -0.307 37.705 38.000 0.019 0.000 1.082 471 I HN 0.058 nan 8.210 nan 0.000 0.420 472 F N 1.939 121.826 119.950 -0.105 0.000 2.095 472 F HA -0.248 4.307 4.527 0.047 0.000 0.298 472 F C 2.413 178.161 175.800 -0.087 0.000 1.104 472 F CA 1.384 59.296 58.000 -0.146 0.000 1.232 472 F CB -0.736 38.099 39.000 -0.275 0.000 0.987 472 F HN 0.038 nan 8.300 nan 0.000 0.475 473 A N -0.140 122.606 122.820 -0.124 0.000 1.933 473 A HA -0.229 4.118 4.320 0.045 0.000 0.218 473 A C 2.179 179.625 177.584 -0.229 0.000 1.175 473 A CA 1.765 53.675 52.037 -0.212 0.000 0.628 473 A CB -0.838 18.070 19.000 -0.153 0.000 0.814 473 A HN 0.601 nan 8.150 nan 0.000 0.444 474 Q N -0.899 118.809 119.800 -0.154 0.000 2.119 474 Q HA -0.124 4.243 4.340 0.045 0.000 0.201 474 Q C 2.370 178.262 176.000 -0.180 0.000 0.972 474 Q CA 1.253 56.973 55.803 -0.137 0.000 0.847 474 Q CB -0.135 28.552 28.738 -0.085 0.000 0.903 474 Q HN 0.616 nan 8.270 nan 0.000 0.433 475 R N 0.239 120.613 120.500 -0.210 0.000 2.073 475 R HA -0.124 4.243 4.340 0.045 0.000 0.234 475 R C 2.286 178.273 176.300 -0.522 0.000 1.134 475 R CA 1.171 57.056 56.100 -0.359 0.000 0.952 475 R CB -0.275 29.876 30.300 -0.249 0.000 0.850 475 R HN 0.244 nan 8.270 nan 0.000 0.433 476 L N -0.051 120.959 121.223 -0.355 0.000 2.056 476 L HA -0.153 4.214 4.340 0.045 0.000 0.207 476 L C 2.517 179.324 176.870 -0.105 0.000 1.078 476 L CA 1.263 55.985 54.840 -0.197 0.000 0.749 476 L CB -0.343 41.470 42.059 -0.410 0.000 0.901 476 L HN 0.216 nan 8.230 nan 0.000 0.433 477 M N -0.366 119.122 119.600 -0.187 0.000 2.149 477 M HA -0.232 4.276 4.480 0.045 0.000 0.261 477 M C 2.297 178.597 176.300 -0.001 0.000 1.064 477 M CA 1.629 56.862 55.300 -0.112 0.000 1.102 477 M CB -0.268 32.257 32.600 -0.126 0.000 1.369 477 M HN 0.035 nan 8.290 nan 0.000 0.408 478 K N -0.135 120.231 120.400 -0.056 0.000 2.057 478 K HA -0.136 4.211 4.320 0.045 0.000 0.206 478 K C 1.621 178.294 176.600 0.122 0.000 1.050 478 K CA 1.555 57.828 56.287 -0.023 0.000 0.935 478 K CB -0.188 32.240 32.500 -0.120 0.000 0.715 478 K HN 0.184 nan 8.250 nan 0.000 0.439 479 Y N -0.552 119.885 120.300 0.228 0.000 2.114 479 Y HA -0.230 4.347 4.550 0.045 0.000 0.284 479 Y C 2.259 178.317 175.900 0.262 0.000 1.143 479 Y CA 1.049 59.326 58.100 0.294 0.000 1.135 479 Y CB -0.872 37.904 38.460 0.525 0.000 0.980 479 Y HN 0.211 nan 8.280 nan 0.000 0.499 480 W N 0.585 121.971 121.300 0.144 0.000 2.358 480 W HA -0.220 4.467 4.660 0.044 0.000 0.303 480 W C 2.364 178.893 176.519 0.017 0.000 1.208 480 W CA 2.142 59.507 57.345 0.033 0.000 1.274 480 W CB -0.514 28.893 29.460 -0.088 0.000 1.138 480 W HN 0.244 nan 8.180 nan 0.000 0.515 481 T N -2.764 111.910 114.554 0.199 0.000 2.978 481 T HA -0.080 4.297 4.350 0.045 0.000 0.262 481 T C 1.434 176.171 174.700 0.061 0.000 1.063 481 T CA 0.841 62.988 62.100 0.078 0.000 1.140 481 T CB -0.537 68.356 68.868 0.042 0.000 0.886 481 T HN -0.076 nan 8.240 nan 0.000 0.470 482 N N 1.064 119.821 118.700 0.095 0.000 2.084 482 N HA -0.019 4.748 4.740 0.045 0.000 0.190 482 N C 1.410 176.930 175.510 0.017 0.000 1.030 482 N CA 1.068 54.153 53.050 0.058 0.000 0.849 482 N CB -0.658 37.885 38.487 0.093 0.000 1.012 482 N HN 0.441 nan 8.380 nan 0.000 0.423 483 F N 1.841 121.716 119.950 -0.125 0.000 2.095 483 F HA -0.171 4.384 4.527 0.046 0.000 0.298 483 F C 2.221 177.944 175.800 -0.128 0.000 1.104 483 F CA 1.542 59.417 58.000 -0.208 0.000 1.232 483 F CB -0.438 38.352 39.000 -0.350 0.000 0.987 483 F HN 0.043 nan 8.300 nan 0.000 0.475 484 A N 0.327 123.081 122.820 -0.110 0.000 1.933 484 A HA -0.189 4.158 4.320 0.045 0.000 0.218 484 A C 2.351 179.832 177.584 -0.171 0.000 1.175 484 A CA 1.717 53.658 52.037 -0.160 0.000 0.628 484 A CB -0.728 18.244 19.000 -0.046 0.000 0.814 484 A HN 0.461 nan 8.150 nan 0.000 0.444 485 R N -1.234 119.195 120.500 -0.118 0.000 2.092 485 R HA -0.082 4.285 4.340 0.045 0.000 0.231 485 R C 1.906 178.128 176.300 -0.130 0.000 1.119 485 R CA 1.853 57.897 56.100 -0.092 0.000 0.970 485 R CB -0.116 30.156 30.300 -0.047 0.000 0.864 485 R HN 0.744 nan 8.270 nan 0.000 0.440 486 T N -6.279 108.167 114.554 -0.180 0.000 3.009 486 T HA 0.228 4.606 4.350 0.045 0.000 0.267 486 T C 1.136 175.707 174.700 -0.215 0.000 0.942 486 T CA 0.407 62.415 62.100 -0.155 0.000 0.883 486 T CB 1.339 70.153 68.868 -0.090 0.000 1.192 486 T HN 0.297 nan 8.240 nan 0.000 0.524 487 G N 1.364 109.902 108.800 -0.436 0.000 2.159 487 G HA2 -0.176 3.811 3.960 0.045 0.000 0.256 487 G HA3 -0.176 3.811 3.960 0.045 0.000 0.256 487 G C -0.332 174.466 174.900 -0.170 0.000 0.977 487 G CA 0.256 45.032 45.100 -0.541 0.000 0.652 487 G HN 0.820 nan 8.290 nan 0.000 0.531 488 D N -0.451 119.856 120.400 -0.156 0.000 2.686 488 D HA 0.473 5.140 4.640 0.045 0.000 0.249 488 D C -1.624 174.524 176.300 -0.252 0.000 1.260 488 D CA -1.772 52.103 54.000 -0.209 0.000 0.910 488 D CB 2.121 42.891 40.800 -0.050 0.000 1.323 488 D HN 0.008 nan 8.370 nan 0.000 0.561 489 P HA 0.012 nan 4.420 nan 0.000 0.245 489 P C -0.080 177.230 177.300 0.016 0.000 1.212 489 P CA -0.009 62.935 63.100 -0.260 0.000 0.774 489 P CB 0.318 31.599 31.700 -0.699 0.000 0.999 490 N N 1.549 120.233 118.700 -0.027 0.000 2.514 490 N HA 0.034 4.801 4.740 0.045 0.000 0.277 490 N C -0.021 175.566 175.510 0.129 0.000 1.126 490 N CA 0.074 53.202 53.050 0.130 0.000 0.978 490 N CB 0.477 39.031 38.487 0.110 0.000 1.106 490 N HN -0.047 nan 8.380 nan 0.000 0.461 491 D N 2.582 123.083 120.400 0.170 0.000 2.349 491 D HA 0.030 4.697 4.640 0.045 0.000 0.266 491 D C -1.312 175.037 176.300 0.082 0.000 1.293 491 D CA -1.283 52.785 54.000 0.112 0.000 0.926 491 D CB 0.828 41.691 40.800 0.105 0.000 1.090 491 D HN 0.335 nan 8.370 nan 0.000 0.502 492 P HA 0.007 nan 4.420 nan 0.000 0.245 492 P C -0.345 176.980 177.300 0.041 0.000 1.206 492 P CA 0.232 63.360 63.100 0.046 0.000 0.781 492 P CB 0.463 32.181 31.700 0.031 0.000 0.994 493 R N 0.922 121.447 120.500 0.041 0.000 2.547 493 R HA 0.490 4.857 4.340 0.045 0.000 0.280 493 R C -1.213 175.111 176.300 0.040 0.000 1.630 493 R CA -0.297 55.824 56.100 0.035 0.000 1.470 493 R CB 0.343 30.660 30.300 0.028 0.000 1.178 493 R HN -0.083 nan 8.270 nan 0.000 0.591 494 D N 0.369 120.796 120.400 0.046 0.000 2.211 494 D HA -0.042 4.625 4.640 0.045 0.000 0.130 494 D C -0.983 175.351 176.300 0.057 0.000 1.065 494 D CA -0.133 53.898 54.000 0.051 0.000 1.156 494 D CB 0.940 41.776 40.800 0.060 0.000 2.851 494 D HN 0.186 nan 8.370 nan 0.000 0.616 495 S N 3.059 118.788 115.700 0.049 0.000 2.641 495 S HA 0.573 5.070 4.470 0.045 0.000 0.261 495 S C -0.215 174.417 174.600 0.054 0.000 1.257 495 S CA 0.182 58.412 58.200 0.050 0.000 0.983 495 S CB 0.677 63.902 63.200 0.040 0.000 0.990 495 S HN 0.778 nan 8.310 nan 0.000 0.572 496 K N 0.402 120.834 120.400 0.053 0.000 6.244 496 K HA -0.124 4.223 4.320 0.045 0.000 0.672 496 K C -0.068 176.572 176.600 0.067 0.000 1.917 496 K CA 1.119 57.438 56.287 0.052 0.000 1.561 496 K CB -1.314 31.210 32.500 0.040 0.000 1.816 496 K HN 0.553 nan 8.250 nan 0.000 0.310 497 S N 2.799 118.545 115.700 0.076 0.000 3.429 497 S HA 0.328 4.825 4.470 0.045 0.000 0.237 497 S C -1.996 172.653 174.600 0.082 0.000 1.037 497 S CA 0.197 58.457 58.200 0.100 0.000 0.806 497 S CB -0.178 63.108 63.200 0.142 0.000 0.882 497 S HN 0.736 nan 8.310 nan 0.000 0.556 498 P HA 0.270 nan 4.420 nan 0.000 0.275 498 P C -0.829 176.535 177.300 0.106 0.000 1.270 498 P CA -0.152 62.991 63.100 0.071 0.000 0.791 498 P CB 0.285 32.012 31.700 0.045 0.000 1.089 499 Q N -0.789 119.082 119.800 0.119 0.000 2.327 499 Q HA 0.079 4.446 4.340 0.045 0.000 0.254 499 Q C -0.382 175.758 176.000 0.233 0.000 0.952 499 Q CA 0.064 55.972 55.803 0.175 0.000 0.884 499 Q CB 0.513 29.348 28.738 0.161 0.000 1.224 499 Q HN 0.521 nan 8.270 nan 0.000 0.422 500 W N 6.431 127.771 121.300 0.067 0.000 2.546 500 W HA 0.192 4.880 4.660 0.047 0.000 0.323 500 W C -2.331 174.316 176.519 0.213 0.000 1.272 500 W CA -2.236 55.161 57.345 0.087 0.000 1.404 500 W CB 0.081 29.528 29.460 -0.023 0.000 1.411 500 W HN 0.383 nan 8.180 nan 0.000 0.480 501 P HA 0.237 nan 4.420 nan 0.000 0.282 501 P C -2.588 174.921 177.300 0.348 0.000 1.249 501 P CA -1.772 61.550 63.100 0.371 0.000 0.806 501 P CB 0.687 32.516 31.700 0.215 0.000 0.984 502 P HA 0.011 nan 4.420 nan 0.000 0.266 502 P C -0.507 176.775 177.300 -0.030 0.000 1.195 502 P CA 0.272 63.183 63.100 -0.316 0.000 0.768 502 P CB -0.012 31.493 31.700 -0.325 0.000 0.838 503 Y N 3.342 123.573 120.300 -0.115 0.000 2.442 503 Y HA 0.320 4.897 4.550 0.045 0.000 0.330 503 Y C 0.512 176.395 175.900 -0.028 0.000 1.129 503 Y CA 0.716 58.821 58.100 0.007 0.000 1.365 503 Y CB 0.343 38.829 38.460 0.043 0.000 1.233 503 Y HN 0.423 nan 8.280 nan 0.000 0.529 504 T N 0.069 114.346 114.554 -0.461 0.000 2.901 504 T HA 0.268 4.645 4.350 0.045 0.000 0.293 504 T C 0.799 175.249 174.700 -0.417 0.000 1.084 504 T CA -0.224 61.710 62.100 -0.276 0.000 1.008 504 T CB 1.288 70.065 68.868 -0.152 0.000 1.170 504 T HN 0.619 nan 8.240 nan 0.000 0.509 505 T N -0.804 113.656 114.554 -0.158 0.000 2.904 505 T HA 0.093 4.471 4.350 0.045 0.000 0.267 505 T C 2.221 176.863 174.700 -0.096 0.000 1.059 505 T CA 0.809 62.855 62.100 -0.091 0.000 1.137 505 T CB -0.752 68.122 68.868 0.009 0.000 0.879 505 T HN 0.849 nan 8.240 nan 0.000 0.467 506 A N 2.245 125.014 122.820 -0.086 0.000 1.825 506 A HA 0.404 4.751 4.320 0.045 0.000 0.214 506 A C 2.794 180.330 177.584 -0.079 0.000 1.206 506 A CA 1.776 53.778 52.037 -0.059 0.000 0.609 506 A CB -1.459 17.516 19.000 -0.041 0.000 0.851 506 A HN 0.676 nan 8.150 nan 0.000 0.445 507 A N -2.456 120.299 122.820 -0.109 0.000 1.970 507 A HA 0.108 4.456 4.320 0.045 0.000 0.216 507 A C 1.169 178.680 177.584 -0.121 0.000 1.170 507 A CA 1.286 53.269 52.037 -0.090 0.000 0.645 507 A CB -0.398 18.561 19.000 -0.068 0.000 0.816 507 A HN 0.639 nan 8.150 nan 0.000 0.447 508 Q N -0.974 118.645 119.800 -0.302 0.000 2.494 508 Q HA -0.208 4.160 4.340 0.045 0.000 0.272 508 Q C -0.697 175.296 176.000 -0.012 0.000 1.145 508 Q CA 0.707 56.267 55.803 -0.405 0.000 0.943 508 Q CB -1.742 26.950 28.738 -0.078 0.000 1.338 508 Q HN 0.864 nan 8.270 nan 0.000 0.492 509 Q N 0.290 120.078 119.800 -0.020 0.000 2.314 509 Q HA 0.472 4.839 4.340 0.045 0.000 0.258 509 Q C -0.328 175.930 176.000 0.429 0.000 0.954 509 Q CA 0.151 56.043 55.803 0.147 0.000 0.890 509 Q CB 0.562 29.343 28.738 0.073 0.000 1.210 509 Q HN 0.338 nan 8.270 nan 0.000 0.410 510 Y N -1.814 118.630 120.300 0.240 0.000 2.670 510 Y HA 0.701 5.277 4.550 0.044 0.000 0.334 510 Y C -1.239 174.701 175.900 0.067 0.000 1.185 510 Y CA -1.533 56.725 58.100 0.264 0.000 1.053 510 Y CB 0.628 39.252 38.460 0.273 0.000 1.298 510 Y HN 0.364 nan 8.280 nan 0.000 0.459 511 V N -0.229 119.691 119.914 0.010 0.000 2.815 511 V HA 0.826 4.973 4.120 0.045 0.000 0.314 511 V C -0.199 175.865 176.094 -0.050 0.000 1.064 511 V CA -0.509 61.618 62.300 -0.289 0.000 0.952 511 V CB 1.312 32.647 31.823 -0.813 0.000 1.020 511 V HN 1.212 nan 8.190 nan 0.000 0.439 512 S N 4.118 119.770 115.700 -0.081 0.000 2.523 512 S HA 0.643 5.140 4.470 0.045 0.000 0.275 512 S C -0.401 174.175 174.600 -0.041 0.000 1.281 512 S CA -0.627 57.582 58.200 0.016 0.000 1.050 512 S CB 0.440 63.638 63.200 -0.004 0.000 0.937 512 S HN 0.766 nan 8.310 nan 0.000 0.492 513 L N 4.311 125.559 121.223 0.042 0.000 2.264 513 L HA 0.507 4.874 4.340 0.045 0.000 0.287 513 L C -0.121 176.668 176.870 -0.135 0.000 1.039 513 L CA -0.405 54.478 54.840 0.070 0.000 0.829 513 L CB -0.039 42.164 42.059 0.240 0.000 1.211 513 L HN 0.960 nan 8.230 nan 0.000 0.427 514 N N 2.235 120.777 118.700 -0.263 0.000 3.364 514 N HA 0.297 5.064 4.740 0.045 0.000 0.294 514 N C 0.118 175.052 175.510 -0.960 0.000 1.562 514 N CA -0.934 51.677 53.050 -0.732 0.000 0.862 514 N CB 0.585 38.826 38.487 -0.410 0.000 1.691 514 N HN 0.182 nan 8.380 nan 0.000 0.572 515 L N -0.628 120.039 121.223 -0.926 0.000 2.141 515 L HA 0.093 4.460 4.340 0.045 0.000 0.209 515 L C 0.619 177.279 176.870 -0.350 0.000 1.094 515 L CA 0.901 55.304 54.840 -0.728 0.000 0.763 515 L CB -0.490 41.226 42.059 -0.571 0.000 0.908 515 L HN 0.385 nan 8.230 nan 0.000 0.437 516 K N 0.458 120.704 120.400 -0.257 0.000 2.276 516 K HA 0.188 4.535 4.320 0.045 0.000 0.259 516 K C -2.152 174.389 176.600 -0.099 0.000 1.001 516 K CA -1.766 54.436 56.287 -0.142 0.000 0.927 516 K CB -0.298 32.134 32.500 -0.112 0.000 0.969 516 K HN -0.174 nan 8.250 nan 0.000 0.490 517 P HA -0.023 nan 4.420 nan 0.000 0.271 517 P C -0.285 177.005 177.300 -0.016 0.000 1.233 517 P CA -0.192 62.904 63.100 -0.006 0.000 0.789 517 P CB 0.371 32.074 31.700 0.005 0.000 0.951 518 L N 0.978 122.207 121.223 0.010 0.000 2.559 518 L HA -0.039 4.328 4.340 0.045 0.000 0.282 518 L C 1.138 177.963 176.870 -0.075 0.000 1.232 518 L CA 0.781 55.585 54.840 -0.060 0.000 0.885 518 L CB -0.274 41.734 42.059 -0.085 0.000 1.131 518 L HN 0.506 nan 8.230 nan 0.000 0.498 519 E N 3.144 123.277 120.200 -0.112 0.000 2.210 519 E HA 0.419 4.797 4.350 0.045 0.000 0.266 519 E C -1.438 175.067 176.600 -0.158 0.000 0.883 519 E CA -0.818 55.519 56.400 -0.105 0.000 0.761 519 E CB 1.997 31.646 29.700 -0.086 0.000 1.156 519 E HN 0.289 nan 8.360 nan 0.000 0.412 520 V N 4.884 124.715 119.914 -0.139 0.000 2.461 520 V HA 0.405 4.552 4.120 0.045 0.000 0.275 520 V C 0.292 176.243 176.094 -0.239 0.000 1.047 520 V CA -0.246 61.947 62.300 -0.178 0.000 0.955 520 V CB 0.951 32.722 31.823 -0.087 0.000 0.988 520 V HN 0.699 nan 8.190 nan 0.000 0.471 521 R N 3.797 124.021 120.500 -0.460 0.000 2.892 521 R HA 0.751 5.118 4.340 0.045 0.000 0.265 521 R C -0.789 175.241 176.300 -0.449 0.000 1.025 521 R CA -1.014 54.776 56.100 -0.518 0.000 0.982 521 R CB 2.381 32.218 30.300 -0.772 0.000 1.185 521 R HN 0.588 nan 8.270 nan 0.000 0.484 522 R N -0.052 120.367 120.500 -0.135 0.000 2.561 522 R HA 0.471 4.838 4.340 0.045 0.000 0.297 522 R C -0.868 175.583 176.300 0.252 0.000 0.969 522 R CA -0.479 55.659 56.100 0.064 0.000 0.879 522 R CB 2.225 32.542 30.300 0.029 0.000 1.178 522 R HN 0.891 nan 8.270 nan 0.000 0.445 523 G N 2.352 111.373 108.800 0.368 0.000 3.450 523 G HA2 -0.210 3.777 3.960 0.045 0.000 0.668 523 G HA3 -0.210 3.777 3.960 0.045 0.000 0.668 523 G C -1.141 173.993 174.900 0.390 0.000 0.941 523 G CA -0.840 44.454 45.100 0.323 0.000 0.766 523 G HN 0.384 nan 8.290 nan 0.000 0.451 524 L N 4.291 125.656 121.223 0.236 0.000 2.315 524 L HA 0.600 4.967 4.340 0.045 0.000 0.278 524 L C 1.474 178.378 176.870 0.058 0.000 1.088 524 L CA -0.534 54.285 54.840 -0.036 0.000 0.899 524 L CB -0.205 41.709 42.059 -0.242 0.000 1.277 524 L HN 0.711 nan 8.230 nan 0.000 0.431 525 R N 2.761 123.332 120.500 0.117 0.000 3.416 525 R HA -0.268 4.099 4.340 0.045 0.000 0.263 525 R C 1.284 177.689 176.300 0.174 0.000 1.053 525 R CA 0.726 56.920 56.100 0.157 0.000 0.705 525 R CB -2.180 28.218 30.300 0.164 0.000 1.124 525 R HN 0.779 nan 8.270 nan 0.000 0.444 526 A N 0.640 123.559 122.820 0.165 0.000 1.892 526 A HA -0.262 4.085 4.320 0.045 0.000 0.218 526 A C 2.104 179.783 177.584 0.158 0.000 1.188 526 A CA 1.427 53.559 52.037 0.158 0.000 0.631 526 A CB -0.123 18.964 19.000 0.145 0.000 0.822 526 A HN 0.411 nan 8.150 nan 0.000 0.447 527 Q N -0.770 119.122 119.800 0.153 0.000 2.016 527 Q HA -0.112 4.255 4.340 0.045 0.000 0.200 527 Q C 2.277 178.401 176.000 0.207 0.000 0.978 527 Q CA 2.081 57.977 55.803 0.155 0.000 0.833 527 Q CB -1.234 27.581 28.738 0.127 0.000 0.895 527 Q HN 0.657 nan 8.270 nan 0.000 0.427 528 T N 0.900 115.604 114.554 0.249 0.000 2.746 528 T HA -0.125 4.252 4.350 0.045 0.000 0.267 528 T C 2.099 177.028 174.700 0.382 0.000 1.039 528 T CA 1.229 63.512 62.100 0.305 0.000 1.142 528 T CB -0.328 68.769 68.868 0.383 0.000 0.866 528 T HN 0.311 nan 8.240 nan 0.000 0.444 529 c N 1.537 120.342 118.600 0.343 0.000 2.435 529 c HA 0.163 4.760 4.570 0.045 0.000 0.279 529 c C 3.167 177.420 174.090 0.272 0.000 1.321 529 c CA 0.157 56.690 56.329 0.341 0.000 1.752 529 c CB -1.395 41.247 42.510 0.220 0.000 1.959 529 c HN 0.650 nan 8.230 nan 0.000 0.500 530 A N 0.164 123.113 122.820 0.215 0.000 1.902 530 A HA -0.207 4.140 4.320 0.045 0.000 0.217 530 A C 1.886 179.575 177.584 0.175 0.000 1.181 530 A CA 1.719 53.858 52.037 0.171 0.000 0.623 530 A CB -0.840 18.246 19.000 0.145 0.000 0.818 530 A HN 0.543 nan 8.150 nan 0.000 0.443 531 F N -0.706 119.244 119.950 0.000 0.000 2.065 531 F HA -0.221 4.335 4.527 0.048 0.000 0.298 531 F C 1.970 177.733 175.800 -0.062 0.000 1.112 531 F CA 1.860 59.785 58.000 -0.126 0.000 1.212 531 F CB -0.678 38.010 39.000 -0.520 0.000 0.975 531 F HN 0.395 nan 8.300 nan 0.000 0.476 532 W N 0.712 121.920 121.300 -0.154 0.000 2.381 532 W HA -0.074 4.612 4.660 0.044 0.000 0.301 532 W C 2.307 178.748 176.519 -0.129 0.000 1.205 532 W CA 1.578 58.805 57.345 -0.198 0.000 1.285 532 W CB -0.666 28.814 29.460 0.034 0.000 1.133 532 W HN 0.030 nan 8.180 nan 0.000 0.521 533 N N -0.975 117.832 118.700 0.178 0.000 2.405 533 N HA 0.062 4.829 4.740 0.045 0.000 0.175 533 N C 1.593 177.135 175.510 0.054 0.000 1.051 533 N CA 0.400 53.514 53.050 0.107 0.000 0.899 533 N CB 0.078 38.629 38.487 0.107 0.000 1.000 533 N HN 0.102 nan 8.380 nan 0.000 0.451 534 R N -1.130 119.402 120.500 0.052 0.000 2.243 534 R HA 0.160 4.527 4.340 0.045 0.000 0.193 534 R C 1.060 177.393 176.300 0.055 0.000 0.933 534 R CA 0.093 56.228 56.100 0.059 0.000 1.105 534 R CB 0.019 30.376 30.300 0.095 0.000 1.169 534 R HN 0.073 nan 8.270 nan 0.000 0.599 535 F N 1.433 121.297 119.950 -0.144 0.000 2.274 535 F HA 0.156 4.710 4.527 0.046 0.000 0.288 535 F C 1.826 177.472 175.800 -0.257 0.000 1.069 535 F CA 0.821 58.718 58.000 -0.173 0.000 1.343 535 F CB -0.073 38.855 39.000 -0.120 0.000 1.089 535 F HN -0.171 nan 8.300 nan 0.000 0.517 536 L N 0.656 121.560 121.223 -0.531 0.000 2.042 536 L HA -0.177 4.190 4.340 0.045 0.000 0.210 536 L C -0.466 176.189 176.870 -0.358 0.000 1.076 536 L CA 1.515 56.029 54.840 -0.543 0.000 0.749 536 L CB -2.122 39.628 42.059 -0.515 0.000 0.893 536 L HN 0.130 nan 8.230 nan 0.000 0.432 537 P HA -0.224 nan 4.420 nan 0.000 0.215 537 P C 1.414 178.592 177.300 -0.203 0.000 1.163 537 P CA 1.528 64.533 63.100 -0.159 0.000 0.894 537 P CB -0.035 31.608 31.700 -0.096 0.000 0.791 538 K N -1.201 119.039 120.400 -0.265 0.000 2.063 538 K HA -0.162 4.185 4.320 0.045 0.000 0.208 538 K C 1.986 178.394 176.600 -0.319 0.000 1.048 538 K CA 1.133 57.263 56.287 -0.262 0.000 0.928 538 K CB -0.893 31.448 32.500 -0.265 0.000 0.713 538 K HN 0.079 nan 8.250 nan 0.000 0.442 539 L N 1.460 122.382 121.223 -0.502 0.000 2.027 539 L HA -0.106 4.261 4.340 0.045 0.000 0.206 539 L C 1.925 178.660 176.870 -0.226 0.000 1.074 539 L CA 1.454 56.040 54.840 -0.423 0.000 0.745 539 L CB -0.488 41.231 42.059 -0.566 0.000 0.898 539 L HN 0.106 nan 8.230 nan 0.000 0.433 540 L N -0.451 120.650 121.223 -0.202 0.000 2.017 540 L HA -0.134 4.234 4.340 0.045 0.000 0.208 540 L C 1.545 178.357 176.870 -0.097 0.000 1.073 540 L CA 1.294 56.061 54.840 -0.122 0.000 0.745 540 L CB -0.756 41.243 42.059 -0.100 0.000 0.894 540 L HN 0.470 nan 8.230 nan 0.000 0.432 541 S N -0.228 115.410 115.700 -0.103 0.000 4.069 541 S HA 0.612 5.109 4.470 0.045 0.000 0.192 541 S C -0.028 174.528 174.600 -0.073 0.000 1.441 541 S CA -0.066 58.088 58.200 -0.077 0.000 0.994 541 S CB -0.264 62.895 63.200 -0.068 0.000 1.456 541 S HN 0.361 nan 8.310 nan 0.000 0.458 542 A N 0.000 122.780 122.820 -0.066 0.000 2.254 542 A HA 0.000 4.347 4.320 0.045 0.000 0.244 542 A CA 0.000 52.006 52.037 -0.052 0.000 0.836 542 A CB 0.000 18.965 19.000 -0.058 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486