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 2ha3_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 PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPXXXXX 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 RFLPKLLSAT 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 0.000 176.627 176.600 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 29.720 29.700 0.033 0.000 0.812 5 D N 5.901 126.337 120.400 0.060 0.000 2.359 5 D HA 0.275 4.939 4.640 0.040 0.000 0.230 5 D C -1.577 174.777 176.300 0.090 0.000 1.118 5 D CA -2.306 51.746 54.000 0.087 0.000 0.844 5 D CB 1.603 42.478 40.800 0.124 0.000 1.059 5 D HN 0.225 nan 8.370 nan 0.000 0.493 6 P HA -0.143 nan 4.420 nan 0.000 0.221 6 P C 1.032 178.366 177.300 0.057 0.000 1.145 6 P CA 0.759 63.889 63.100 0.050 0.000 0.795 6 P CB 0.518 32.232 31.700 0.024 0.000 0.775 7 Q N -0.451 119.383 119.800 0.057 0.000 2.291 7 Q HA 0.020 4.384 4.340 0.040 0.000 0.205 7 Q C 2.026 178.148 176.000 0.204 0.000 0.970 7 Q CA 0.916 56.746 55.803 0.046 0.000 0.876 7 Q CB -0.335 28.310 28.738 -0.155 0.000 0.935 7 Q HN 0.425 nan 8.270 nan 0.000 0.455 8 L N -0.043 121.306 121.223 0.209 0.000 2.592 8 L HA 0.186 4.550 4.340 0.040 0.000 0.227 8 L C 0.465 177.532 176.870 0.328 0.000 1.127 8 L CA -0.073 54.909 54.840 0.237 0.000 0.884 8 L CB 0.254 42.371 42.059 0.098 0.000 1.065 8 L HN -0.003 nan 8.230 nan 0.000 0.457 9 L N 0.809 122.167 121.223 0.225 0.000 2.287 9 L HA 0.494 4.857 4.340 0.040 0.000 0.287 9 L C -0.877 176.035 176.870 0.070 0.000 1.022 9 L CA -0.413 54.523 54.840 0.160 0.000 0.814 9 L CB 1.996 44.110 42.059 0.091 0.000 1.217 9 L HN -0.220 nan 8.230 nan 0.000 0.420 10 V N 3.835 123.756 119.914 0.010 0.000 2.709 10 V HA 0.475 4.618 4.120 0.040 0.000 0.308 10 V C -0.324 175.696 176.094 -0.123 0.000 1.062 10 V CA -0.814 61.354 62.300 -0.219 0.000 0.901 10 V CB 2.235 33.646 31.823 -0.687 0.000 1.003 10 V HN 0.672 nan 8.190 nan 0.000 0.425 11 R N 3.106 123.514 120.500 -0.154 0.000 2.255 11 R HA 0.729 5.093 4.340 0.040 0.000 0.326 11 R C -0.599 175.612 176.300 -0.147 0.000 0.986 11 R CA -0.320 55.722 56.100 -0.097 0.000 0.847 11 R CB 1.458 31.703 30.300 -0.091 0.000 1.111 11 R HN 0.732 nan 8.270 nan 0.000 0.452 12 V N 1.723 121.600 119.914 -0.061 0.000 3.267 12 V HA 0.457 4.601 4.120 0.040 0.000 0.317 12 V C 1.237 177.255 176.094 -0.128 0.000 1.131 12 V CA -0.852 61.408 62.300 -0.067 0.000 1.031 12 V CB 1.680 33.602 31.823 0.165 0.000 1.159 12 V HN 0.832 nan 8.190 nan 0.000 0.454 13 R N 0.833 121.242 120.500 -0.151 0.000 2.105 13 R HA -0.046 4.317 4.340 0.040 0.000 0.239 13 R C 2.099 178.249 176.300 -0.251 0.000 1.135 13 R CA 1.664 57.663 56.100 -0.168 0.000 0.967 13 R CB -0.746 29.472 30.300 -0.137 0.000 0.861 13 R HN 0.985 nan 8.270 nan 0.000 0.442 14 G N -0.301 108.295 108.800 -0.341 0.000 2.572 14 G HA2 0.209 4.192 3.960 0.040 0.000 0.216 14 G HA3 0.209 4.192 3.960 0.040 0.000 0.216 14 G C 0.507 174.492 174.900 -1.526 0.000 1.133 14 G CA 0.634 45.236 45.100 -0.830 0.000 0.791 14 G HN 0.599 nan 8.290 nan 0.000 0.538 15 G N -1.282 106.926 108.800 -0.986 0.000 2.302 15 G HA2 0.097 4.081 3.960 0.040 0.000 0.276 15 G HA3 0.097 4.081 3.960 0.040 0.000 0.276 15 G C -1.108 173.755 174.900 -0.062 0.000 1.316 15 G CA -0.902 43.777 45.100 -0.700 0.000 0.988 15 G HN 0.301 nan 8.290 nan 0.000 0.479 16 Q N -0.357 119.561 119.800 0.196 0.000 2.259 16 Q HA 0.676 5.040 4.340 0.040 0.000 0.249 16 Q C -0.357 175.933 176.000 0.484 0.000 0.914 16 Q CA -0.104 55.873 55.803 0.290 0.000 0.904 16 Q CB 1.513 30.360 28.738 0.181 0.000 1.213 16 Q HN 0.452 nan 8.270 nan 0.000 0.428 17 L N 1.555 122.974 121.223 0.328 0.000 2.370 17 L HA 0.640 5.004 4.340 0.040 0.000 0.266 17 L C -0.519 176.509 176.870 0.263 0.000 1.002 17 L CA -0.860 54.163 54.840 0.304 0.000 0.818 17 L CB 2.163 44.434 42.059 0.353 0.000 1.325 17 L HN 0.460 nan 8.230 nan 0.000 0.418 18 R N 0.475 121.112 120.500 0.228 0.000 2.439 18 R HA 0.646 5.009 4.340 0.040 0.000 0.310 18 R C -0.241 176.158 176.300 0.165 0.000 0.955 18 R CA -0.302 55.917 56.100 0.199 0.000 0.853 18 R CB 1.742 32.102 30.300 0.101 0.000 1.171 18 R HN 0.819 nan 8.270 nan 0.000 0.449 19 G N 3.286 112.161 108.800 0.126 0.000 2.606 19 G HA2 0.479 4.463 3.960 0.040 0.000 0.262 19 G HA3 0.479 4.463 3.960 0.040 0.000 0.262 19 G C -0.963 173.769 174.900 -0.282 0.000 1.394 19 G CA -0.653 44.262 45.100 -0.309 0.000 1.044 19 G HN 0.578 nan 8.290 nan 0.000 0.553 20 I N -1.056 119.278 120.570 -0.393 0.000 2.686 20 I HA 0.520 4.714 4.170 0.040 0.000 0.295 20 I C -0.405 175.562 176.117 -0.250 0.000 1.114 20 I CA -1.120 60.028 61.300 -0.253 0.000 1.038 20 I CB 2.255 40.118 38.000 -0.228 0.000 1.238 20 I HN 0.447 nan 8.210 nan 0.000 0.420 21 R N 7.371 127.758 120.500 -0.188 0.000 2.216 21 R HA 0.575 4.939 4.340 0.040 0.000 0.332 21 R C -1.596 174.592 176.300 -0.187 0.000 1.056 21 R CA -0.317 55.653 56.100 -0.217 0.000 0.901 21 R CB 0.607 30.711 30.300 -0.327 0.000 1.039 21 R HN 0.623 nan 8.270 nan 0.000 0.456 22 L N 3.050 124.184 121.223 -0.148 0.000 2.322 22 L HA 0.486 4.850 4.340 0.040 0.000 0.269 22 L C -0.379 176.426 176.870 -0.108 0.000 1.012 22 L CA -1.263 53.512 54.840 -0.108 0.000 0.815 22 L CB 1.656 43.683 42.059 -0.053 0.000 1.295 22 L HN 0.418 nan 8.230 nan 0.000 0.438 23 K N 1.730 122.073 120.400 -0.096 0.000 2.263 23 K HA 0.632 4.976 4.320 0.040 0.000 0.272 23 K C -0.800 175.744 176.600 -0.095 0.000 1.033 23 K CA -0.159 56.076 56.287 -0.087 0.000 0.884 23 K CB 1.334 33.793 32.500 -0.068 0.000 1.107 23 K HN 0.601 nan 8.250 nan 0.000 0.460 24 A N 5.654 128.420 122.820 -0.090 0.000 2.294 24 A HA 0.545 4.888 4.320 0.040 0.000 0.330 24 A C -1.845 175.740 177.584 0.001 0.000 1.133 24 A CA -1.705 50.271 52.037 -0.101 0.000 0.836 24 A CB 0.495 19.421 19.000 -0.123 0.000 1.190 24 A HN 0.696 nan 8.150 nan 0.000 0.492 25 P HA -0.116 nan 4.420 nan 0.000 0.216 25 P C 1.294 178.625 177.300 0.052 0.000 1.150 25 P CA 2.056 65.204 63.100 0.081 0.000 0.843 25 P CB 0.214 31.992 31.700 0.130 0.000 0.787 26 G N -2.313 106.520 108.800 0.055 0.000 2.939 26 G HA2 0.443 4.427 3.960 0.040 0.000 0.210 26 G HA3 0.443 4.427 3.960 0.040 0.000 0.210 26 G C 0.543 175.462 174.900 0.032 0.000 1.160 26 G CA 0.495 45.620 45.100 0.042 0.000 0.770 26 G HN 0.597 nan 8.290 nan 0.000 0.543 27 G N -0.583 108.229 108.800 0.021 0.000 2.359 27 G HA2 0.375 4.359 3.960 0.040 0.000 0.293 27 G HA3 0.375 4.359 3.960 0.040 0.000 0.293 27 G C -3.408 171.488 174.900 -0.006 0.000 1.300 27 G CA -0.686 44.422 45.100 0.015 0.000 0.888 27 G HN 0.036 nan 8.290 nan 0.000 0.541 28 P HA 0.541 nan 4.420 nan 0.000 0.277 28 P C -0.019 177.299 177.300 0.031 0.000 1.240 28 P CA -0.265 62.787 63.100 -0.080 0.000 0.798 28 P CB 1.688 33.220 31.700 -0.280 0.000 0.979 29 V N -1.596 118.330 119.914 0.020 0.000 3.102 29 V HA 0.697 4.841 4.120 0.040 0.000 0.312 29 V C -0.417 175.750 176.094 0.121 0.000 1.135 29 V CA -0.939 61.443 62.300 0.136 0.000 1.022 29 V CB 1.763 33.670 31.823 0.141 0.000 1.056 29 V HN 0.446 nan 8.190 nan 0.000 0.436 30 S N 1.493 117.312 115.700 0.197 0.000 2.462 30 S HA 0.865 5.359 4.470 0.040 0.000 0.294 30 S C -0.049 174.472 174.600 -0.131 0.000 1.144 30 S CA -0.039 58.184 58.200 0.038 0.000 1.088 30 S CB 1.264 64.573 63.200 0.182 0.000 1.009 30 S HN 1.550 nan 8.310 nan 0.000 0.484 31 A N 2.826 125.372 122.820 -0.456 0.000 2.330 31 A HA 0.792 5.135 4.320 0.040 0.000 0.313 31 A C -1.167 175.940 177.584 -0.795 0.000 1.124 31 A CA -0.650 51.035 52.037 -0.588 0.000 0.774 31 A CB 0.337 19.014 19.000 -0.539 0.000 1.198 31 A HN 0.682 nan 8.150 nan 0.000 0.465 32 F N 3.035 122.816 119.950 -0.281 0.000 2.366 32 F HA 0.496 5.047 4.527 0.039 0.000 0.366 32 F C -0.190 175.426 175.800 -0.306 0.000 1.096 32 F CA -0.393 57.512 58.000 -0.158 0.000 1.060 32 F CB 1.174 40.232 39.000 0.097 0.000 1.282 32 F HN 0.328 nan 8.300 nan 0.000 0.450 33 L N 2.222 123.302 121.223 -0.239 0.000 2.334 33 L HA 0.733 5.096 4.340 0.040 0.000 0.276 33 L C 0.820 177.587 176.870 -0.172 0.000 1.014 33 L CA -1.056 53.581 54.840 -0.339 0.000 0.815 33 L CB 1.803 43.469 42.059 -0.655 0.000 1.268 33 L HN 0.826 nan 8.230 nan 0.000 0.428 34 G N 3.134 111.892 108.800 -0.070 0.000 2.256 34 G HA2 -0.241 3.743 3.960 0.040 0.000 0.272 34 G HA3 -0.241 3.743 3.960 0.040 0.000 0.272 34 G C -0.225 174.695 174.900 0.033 0.000 1.076 34 G CA -0.376 44.693 45.100 -0.051 0.000 0.882 34 G HN 0.476 nan 8.290 nan 0.000 0.497 35 I N 1.952 122.566 120.570 0.072 0.000 2.352 35 I HA 0.260 4.453 4.170 0.040 0.000 0.290 35 I C -1.530 174.652 176.117 0.109 0.000 1.036 35 I CA -2.269 59.057 61.300 0.043 0.000 1.336 35 I CB 1.198 39.167 38.000 -0.051 0.000 1.407 35 I HN -0.030 nan 8.210 nan 0.000 0.497 36 P HA 0.048 nan 4.420 nan 0.000 0.276 36 P C -0.179 177.074 177.300 -0.078 0.000 1.243 36 P CA -0.024 62.983 63.100 -0.155 0.000 0.768 36 P CB 0.461 32.081 31.700 -0.133 0.000 0.856 37 F N 1.451 121.252 119.950 -0.248 0.000 2.706 37 F HA 0.705 5.256 4.527 0.039 0.000 0.308 37 F C 0.109 175.901 175.800 -0.014 0.000 1.095 37 F CA -0.676 57.245 58.000 -0.132 0.000 1.244 37 F CB 0.192 39.023 39.000 -0.281 0.000 1.063 37 F HN 0.313 nan 8.300 nan 0.000 0.582 38 A N 0.158 122.667 122.820 -0.518 0.000 2.566 38 A HA 0.582 4.926 4.320 0.040 0.000 0.292 38 A C -0.811 176.609 177.584 -0.274 0.000 1.112 38 A CA -0.818 51.025 52.037 -0.324 0.000 0.707 38 A CB 0.925 19.661 19.000 -0.440 0.000 1.302 38 A HN 0.076 nan 8.150 nan 0.000 0.409 39 E N 1.229 121.347 120.200 -0.136 0.000 2.414 39 E HA 0.218 4.591 4.350 0.040 0.000 0.263 39 E C -2.310 174.192 176.600 -0.164 0.000 1.000 39 E CA -1.295 55.040 56.400 -0.108 0.000 0.914 39 E CB -0.064 29.610 29.700 -0.043 0.000 0.948 39 E HN 0.227 nan 8.360 nan 0.000 0.444 40 P HA -0.009 nan 4.420 nan 0.000 0.260 40 P C -2.236 174.998 177.300 -0.110 0.000 1.185 40 P CA -0.698 62.316 63.100 -0.145 0.000 0.763 40 P CB -0.073 31.580 31.700 -0.079 0.000 0.776 41 P HA 0.026 nan 4.420 nan 0.000 0.220 41 P C -0.438 176.800 177.300 -0.103 0.000 1.806 41 P CA 0.058 63.100 63.100 -0.098 0.000 0.976 41 P CB -0.056 31.588 31.700 -0.094 0.000 1.952 42 V N -2.304 117.557 119.914 -0.088 0.000 2.919 42 V HA 0.900 5.044 4.120 0.040 0.000 0.316 42 V C 0.947 176.996 176.094 -0.075 0.000 1.077 42 V CA 0.120 62.366 62.300 -0.089 0.000 0.977 42 V CB 0.999 32.779 31.823 -0.072 0.000 1.039 42 V HN 0.554 nan 8.190 nan 0.000 0.441 43 G N 2.899 111.653 108.800 -0.076 0.000 2.620 43 G HA2 -0.370 3.613 3.960 0.040 0.000 0.315 43 G HA3 -0.370 3.613 3.960 0.040 0.000 0.315 43 G C 1.362 176.228 174.900 -0.056 0.000 1.179 43 G CA 1.800 46.867 45.100 -0.056 0.000 0.971 43 G HN 2.381 nan 8.290 nan 0.000 0.544 44 S N 0.636 116.316 115.700 -0.032 0.000 2.474 44 S HA 0.034 4.527 4.470 0.040 0.000 0.235 44 S C 2.038 176.626 174.600 -0.020 0.000 0.997 44 S CA 1.614 59.804 58.200 -0.016 0.000 0.949 44 S CB -0.110 63.088 63.200 -0.002 0.000 0.766 44 S HN 0.723 nan 8.310 nan 0.000 0.517 45 R N 0.730 121.206 120.500 -0.041 0.000 2.310 45 R HA 0.255 4.618 4.340 0.040 0.000 0.202 45 R C 0.958 177.210 176.300 -0.080 0.000 0.933 45 R CA -0.177 55.898 56.100 -0.041 0.000 1.054 45 R CB -0.069 30.205 30.300 -0.043 0.000 0.985 45 R HN 0.363 nan 8.270 nan 0.000 0.489 46 R N 0.925 121.329 120.500 -0.160 0.000 2.538 46 R HA -0.130 4.234 4.340 0.040 0.000 0.282 46 R C -0.429 175.661 176.300 -0.350 0.000 1.009 46 R CA 0.583 56.458 56.100 -0.375 0.000 1.063 46 R CB 0.128 30.072 30.300 -0.594 0.000 0.945 46 R HN 0.139 nan 8.270 nan 0.000 0.414 47 F N -0.668 119.284 119.950 0.004 0.000 2.748 47 F HA -0.310 4.241 4.527 0.039 0.000 0.370 47 F C 0.087 175.869 175.800 -0.030 0.000 0.620 47 F CA 0.658 58.637 58.000 -0.035 0.000 1.233 47 F CB -1.735 37.233 39.000 -0.054 0.000 1.708 47 F HN 0.477 nan 8.300 nan 0.000 0.298 48 M N 1.005 120.667 119.600 0.102 0.000 2.409 48 M HA 0.417 4.920 4.480 0.040 0.000 0.329 48 M C -1.960 174.366 176.300 0.043 0.000 1.180 48 M CA -1.506 53.836 55.300 0.070 0.000 1.053 48 M CB 0.753 33.380 32.600 0.045 0.000 1.586 48 M HN -0.369 nan 8.290 nan 0.000 0.461 49 P HA 0.036 nan 4.420 nan 0.000 0.267 49 P C -2.455 174.870 177.300 0.042 0.000 1.201 49 P CA -0.422 62.708 63.100 0.051 0.000 0.775 49 P CB -0.462 31.277 31.700 0.065 0.000 0.854 50 P HA 0.164 nan 4.420 nan 0.000 0.279 50 P C -0.551 176.780 177.300 0.052 0.000 1.239 50 P CA 0.130 63.253 63.100 0.038 0.000 0.789 50 P CB 0.849 32.594 31.700 0.075 0.000 0.933 51 E N 2.764 122.980 120.200 0.027 0.000 2.202 51 E HA 0.415 4.789 4.350 0.040 0.000 0.272 51 E C -2.281 174.351 176.600 0.053 0.000 0.951 51 E CA -2.387 54.040 56.400 0.044 0.000 0.813 51 E CB 0.416 30.134 29.700 0.030 0.000 1.151 51 E HN 0.307 nan 8.360 nan 0.000 0.398 52 P HA -0.032 nan 4.420 nan 0.000 0.266 52 P C -0.303 177.059 177.300 0.103 0.000 1.195 52 P CA -0.048 63.127 63.100 0.126 0.000 0.768 52 P CB 0.400 32.178 31.700 0.130 0.000 0.838 53 K N 3.779 124.262 120.400 0.140 0.000 2.416 53 K HA 0.061 4.405 4.320 0.040 0.000 0.283 53 K C 0.008 176.717 176.600 0.182 0.000 1.037 53 K CA 0.256 56.630 56.287 0.145 0.000 0.995 53 K CB 0.109 32.731 32.500 0.204 0.000 0.938 53 K HN 0.259 nan 8.250 nan 0.000 0.475 54 R N 5.254 125.842 120.500 0.148 0.000 2.623 54 R HA 0.105 4.469 4.340 0.040 0.000 0.271 54 R C -1.964 174.450 176.300 0.190 0.000 1.043 54 R CA -1.471 54.707 56.100 0.131 0.000 1.083 54 R CB -0.082 30.278 30.300 0.101 0.000 0.974 54 R HN 0.584 nan 8.270 nan 0.000 0.436 55 P HA -0.077 nan 4.420 nan 0.000 0.269 55 P C -1.182 176.149 177.300 0.053 0.000 1.217 55 P CA 0.094 63.127 63.100 -0.111 0.000 0.783 55 P CB 0.325 31.916 31.700 -0.180 0.000 0.898 56 W N 0.245 121.580 121.300 0.058 0.000 2.882 56 W HA 0.677 5.361 4.660 0.040 0.000 0.345 56 W C -0.662 175.883 176.519 0.044 0.000 1.125 56 W CA -1.014 56.362 57.345 0.052 0.000 1.167 56 W CB 0.073 29.571 29.460 0.065 0.000 1.431 56 W HN 0.382 nan 8.180 nan 0.000 0.543 57 S N 1.689 117.553 115.700 0.274 0.000 2.652 57 S HA 0.796 5.290 4.470 0.040 0.000 0.270 57 S C 0.657 175.410 174.600 0.255 0.000 1.243 57 S CA 0.150 58.452 58.200 0.169 0.000 0.999 57 S CB 0.780 64.049 63.200 0.116 0.000 0.973 57 S HN 2.192 nan 8.310 nan 0.000 0.544 58 G N 0.028 108.927 108.800 0.165 0.000 2.601 58 G HA2 -0.171 3.813 3.960 0.040 0.000 0.252 58 G HA3 -0.171 3.813 3.960 0.040 0.000 0.252 58 G C -0.602 174.439 174.900 0.235 0.000 1.294 58 G CA -0.217 44.980 45.100 0.161 0.000 0.912 58 G HN 1.695 nan 8.290 nan 0.000 0.574 59 V N 0.679 120.704 119.914 0.184 0.000 2.347 59 V HA 0.553 4.697 4.120 0.040 0.000 0.280 59 V C 0.451 176.624 176.094 0.132 0.000 1.021 59 V CA -0.466 61.947 62.300 0.189 0.000 0.847 59 V CB 1.251 33.148 31.823 0.123 0.000 0.990 59 V HN 0.863 nan 8.190 nan 0.000 0.444 60 L N 4.269 125.563 121.223 0.118 0.000 2.319 60 L HA 0.427 4.790 4.340 0.040 0.000 0.280 60 L C 0.214 177.056 176.870 -0.048 0.000 1.099 60 L CA 0.165 54.934 54.840 -0.119 0.000 0.828 60 L CB 0.952 42.682 42.059 -0.548 0.000 1.150 60 L HN 0.771 nan 8.230 nan 0.000 0.442 61 D N 4.469 124.826 120.400 -0.071 0.000 2.342 61 D HA 0.336 5.000 4.640 0.040 0.000 0.260 61 D C -0.100 176.155 176.300 -0.075 0.000 1.278 61 D CA 0.320 54.288 54.000 -0.053 0.000 0.910 61 D CB 0.872 41.633 40.800 -0.064 0.000 1.079 61 D HN 0.655 nan 8.370 nan 0.000 0.496 62 A N 3.364 126.167 122.820 -0.029 0.000 3.154 62 A HA 0.279 4.623 4.320 0.040 0.000 0.310 62 A C 1.051 178.568 177.584 -0.112 0.000 1.093 62 A CA -0.221 51.796 52.037 -0.033 0.000 1.006 62 A CB -0.267 18.803 19.000 0.118 0.000 1.084 62 A HN 0.576 nan 8.150 nan 0.000 0.549 63 T N -3.346 111.116 114.554 -0.153 0.000 3.010 63 T HA 0.259 4.633 4.350 0.040 0.000 0.257 63 T C 0.674 175.220 174.700 -0.255 0.000 1.020 63 T CA 0.753 62.731 62.100 -0.204 0.000 0.938 63 T CB -0.177 68.602 68.868 -0.148 0.000 1.049 63 T HN 0.682 nan 8.240 nan 0.000 0.522 64 T N -0.504 113.899 114.554 -0.252 0.000 2.903 64 T HA 0.702 5.076 4.350 0.040 0.000 0.299 64 T C -0.815 173.729 174.700 -0.261 0.000 1.093 64 T CA -0.887 61.057 62.100 -0.260 0.000 1.002 64 T CB 1.097 69.878 68.868 -0.145 0.000 1.127 64 T HN -0.004 nan 8.240 nan 0.000 0.488 65 F N 2.005 121.889 119.950 -0.110 0.000 2.506 65 F HA 0.326 4.877 4.527 0.040 0.000 0.351 65 F C 1.499 177.205 175.800 -0.156 0.000 1.136 65 F CA -0.161 57.776 58.000 -0.105 0.000 1.298 65 F CB 0.500 39.466 39.000 -0.056 0.000 1.145 65 F HN 0.491 nan 8.300 nan 0.000 0.593 66 Q N 1.297 121.110 119.800 0.022 0.000 2.189 66 Q HA 0.193 4.557 4.340 0.040 0.000 0.193 66 Q C -0.148 175.795 176.000 -0.096 0.000 1.034 66 Q CA -0.612 55.064 55.803 -0.211 0.000 1.062 66 Q CB 0.512 28.872 28.738 -0.631 0.000 1.118 66 Q HN 0.520 nan 8.270 nan 0.000 0.569 67 N N -0.364 118.256 118.700 -0.133 0.000 2.453 67 N HA 0.058 4.822 4.740 0.040 0.000 0.253 67 N C -0.596 174.902 175.510 -0.019 0.000 1.252 67 N CA 0.021 53.034 53.050 -0.061 0.000 0.917 67 N CB 0.479 38.937 38.487 -0.048 0.000 1.117 67 N HN 0.166 nan 8.380 nan 0.000 0.442 68 V N 1.542 121.422 119.914 -0.058 0.000 2.546 68 V HA 0.079 4.222 4.120 0.040 0.000 0.284 68 V C 0.564 176.620 176.094 -0.063 0.000 1.050 68 V CA -0.792 61.462 62.300 -0.076 0.000 0.981 68 V CB 0.948 32.689 31.823 -0.137 0.000 0.990 68 V HN 0.709 nan 8.190 nan 0.000 0.474 69 c N 4.674 123.254 118.600 -0.033 0.000 2.611 69 c HA 0.061 4.655 4.570 0.040 0.000 0.416 69 c C 0.519 174.575 174.090 -0.057 0.000 1.366 69 c CA -0.507 55.808 56.329 -0.023 0.000 1.761 69 c CB -1.076 41.448 42.510 0.022 0.000 2.619 69 c HN 0.760 nan 8.230 nan 0.000 0.606 70 Y N 4.141 124.308 120.300 -0.222 0.000 2.721 70 Y HA 0.241 4.814 4.550 0.040 0.000 0.329 70 Y C 0.774 176.659 175.900 -0.026 0.000 1.211 70 Y CA 1.008 58.963 58.100 -0.241 0.000 1.512 70 Y CB 0.158 38.271 38.460 -0.577 0.000 1.249 70 Y HN 0.752 nan 8.280 nan 0.000 0.549 71 Q N 4.364 124.135 119.800 -0.049 0.000 2.578 71 Q HA 0.204 4.568 4.340 0.040 0.000 0.284 71 Q C -1.784 174.348 176.000 0.221 0.000 0.960 71 Q CA -1.208 54.733 55.803 0.229 0.000 0.809 71 Q CB 1.178 30.013 28.738 0.162 0.000 1.462 71 Q HN 0.689 nan 8.270 nan 0.000 0.392 72 Y N 1.259 121.757 120.300 0.330 0.000 2.712 72 Y HA 0.275 4.849 4.550 0.039 0.000 0.333 72 Y C -0.958 175.110 175.900 0.280 0.000 1.225 72 Y CA 0.420 58.737 58.100 0.361 0.000 1.499 72 Y CB 0.764 39.581 38.460 0.594 0.000 1.288 72 Y HN 0.446 nan 8.280 nan 0.000 0.575 73 V N 6.967 126.576 119.914 -0.508 0.000 2.459 73 V HA 0.103 4.247 4.120 0.040 0.000 0.295 73 V C -0.123 175.603 176.094 -0.613 0.000 1.029 73 V CA -1.197 60.880 62.300 -0.373 0.000 0.874 73 V CB 1.525 33.213 31.823 -0.225 0.000 0.985 73 V HN 0.796 nan 8.190 nan 0.000 0.438 74 D N 2.995 123.289 120.400 -0.178 0.000 2.424 74 D HA 0.098 4.762 4.640 0.040 0.000 0.244 74 D C 0.607 176.917 176.300 0.016 0.000 1.134 74 D CA 0.459 54.482 54.000 0.038 0.000 0.881 74 D CB 1.677 42.662 40.800 0.309 0.000 1.191 74 D HN 0.797 nan 8.370 nan 0.000 0.445 75 T N 0.979 115.567 114.554 0.056 0.000 3.170 75 T HA 0.025 4.399 4.350 0.040 0.000 0.288 75 T C 1.538 176.233 174.700 -0.008 0.000 0.992 75 T CA -0.459 61.656 62.100 0.025 0.000 0.909 75 T CB 0.151 69.024 68.868 0.008 0.000 1.133 75 T HN 0.229 nan 8.240 nan 0.000 0.530 76 L N 0.860 122.069 121.223 -0.023 0.000 1.994 76 L HA 0.223 4.587 4.340 0.040 0.000 0.208 76 L C -0.168 176.394 176.870 -0.513 0.000 1.071 76 L CA 1.655 56.295 54.840 -0.333 0.000 0.745 76 L CB -0.326 41.416 42.059 -0.529 0.000 0.892 76 L HN 0.417 nan 8.230 nan 0.000 0.431 77 Y N -0.101 120.203 120.300 0.008 0.000 2.787 77 Y HA 0.420 4.993 4.550 0.040 0.000 0.352 77 Y C -2.194 173.733 175.900 0.045 0.000 1.027 77 Y CA -3.510 54.578 58.100 -0.020 0.000 1.219 77 Y CB -0.196 38.202 38.460 -0.104 0.000 1.110 77 Y HN 0.091 nan 8.280 nan 0.000 0.614 78 P HA 0.124 nan 4.420 nan 0.000 0.263 78 P C 0.992 178.348 177.300 0.092 0.000 1.195 78 P CA 1.351 64.501 63.100 0.084 0.000 0.762 78 P CB 0.735 32.459 31.700 0.039 0.000 0.799 79 G N 2.232 111.075 108.800 0.072 0.000 2.176 79 G HA2 -0.268 3.715 3.960 0.040 0.000 0.253 79 G HA3 -0.268 3.715 3.960 0.040 0.000 0.253 79 G C -0.186 174.756 174.900 0.071 0.000 0.979 79 G CA -0.462 44.665 45.100 0.045 0.000 0.641 79 G HN 0.529 nan 8.290 nan 0.000 0.530 80 F N 1.936 121.841 119.950 -0.074 0.000 2.405 80 F HA 0.609 5.160 4.527 0.039 0.000 0.355 80 F C 1.293 176.988 175.800 -0.174 0.000 1.121 80 F CA -0.614 57.291 58.000 -0.159 0.000 1.112 80 F CB 1.330 40.204 39.000 -0.209 0.000 1.126 80 F HN 0.199 nan 8.300 nan 0.000 0.481 81 E N 3.841 123.608 120.200 -0.723 0.000 2.118 81 E HA -0.142 4.232 4.350 0.040 0.000 0.195 81 E C 2.063 178.177 176.600 -0.812 0.000 0.992 81 E CA 1.681 57.683 56.400 -0.663 0.000 0.804 81 E CB -0.338 29.036 29.700 -0.544 0.000 0.741 81 E HN 0.983 nan 8.360 nan 0.000 0.458 82 G N -0.284 107.561 108.800 -1.591 0.000 2.450 82 G HA2 -0.326 3.657 3.960 0.040 0.000 0.220 82 G HA3 -0.326 3.657 3.960 0.040 0.000 0.220 82 G C 1.696 176.618 174.900 0.038 0.000 1.130 82 G CA 1.627 46.123 45.100 -1.005 0.000 0.760 82 G HN 0.499 nan 8.290 nan 0.000 0.557 83 T N -1.965 112.592 114.554 0.007 0.000 2.983 83 T HA 0.157 4.530 4.350 0.040 0.000 0.250 83 T C 1.954 176.814 174.700 0.267 0.000 1.037 83 T CA 0.971 63.367 62.100 0.494 0.000 1.142 83 T CB -0.009 69.196 68.868 0.561 0.000 0.876 83 T HN 0.313 nan 8.240 nan 0.000 0.455 84 E N 1.429 121.636 120.200 0.012 0.000 2.418 84 E HA 0.058 4.432 4.350 0.040 0.000 0.197 84 E C 2.100 178.590 176.600 -0.182 0.000 1.026 84 E CA 0.627 56.997 56.400 -0.050 0.000 0.862 84 E CB -0.332 29.323 29.700 -0.075 0.000 0.799 84 E HN 0.759 nan 8.360 nan 0.000 0.518 85 M N -1.796 117.591 119.600 -0.356 0.000 2.460 85 M HA -0.059 4.444 4.480 0.040 0.000 0.263 85 M C 0.864 176.721 176.300 -0.738 0.000 1.071 85 M CA 1.319 56.250 55.300 -0.614 0.000 1.096 85 M CB -0.249 31.861 32.600 -0.816 0.000 1.408 85 M HN 0.041 nan 8.290 nan 0.000 0.463 86 W N 0.839 122.081 121.300 -0.098 0.000 3.177 86 W HA 0.300 4.983 4.660 0.039 0.000 0.309 86 W C 0.348 176.797 176.519 -0.117 0.000 1.224 86 W CA -1.013 56.258 57.345 -0.122 0.000 1.718 86 W CB -0.104 29.337 29.460 -0.032 0.000 1.078 86 W HN 0.096 nan 8.180 nan 0.000 0.618 87 N N 1.599 120.333 118.700 0.058 0.000 2.467 87 N HA 0.137 4.901 4.740 0.040 0.000 0.262 87 N C -2.395 173.061 175.510 -0.089 0.000 1.234 87 N CA -1.473 51.577 53.050 0.000 0.000 0.952 87 N CB -0.110 38.371 38.487 -0.009 0.000 1.158 87 N HN -0.331 nan 8.380 nan 0.000 0.463 88 P HA 0.047 nan 4.420 nan 0.000 0.265 88 P C 0.245 177.457 177.300 -0.146 0.000 1.193 88 P CA 0.072 63.084 63.100 -0.145 0.000 0.765 88 P CB 0.347 31.957 31.700 -0.150 0.000 0.823 89 N N 2.038 120.637 118.700 -0.168 0.000 2.184 89 N HA 0.066 4.829 4.740 0.040 0.000 0.206 89 N C 0.171 175.608 175.510 -0.122 0.000 1.151 89 N CA 0.095 53.053 53.050 -0.152 0.000 0.878 89 N CB 0.424 38.800 38.487 -0.185 0.000 1.014 89 N HN 0.156 nan 8.380 nan 0.000 0.512 90 R N 0.171 120.598 120.500 -0.121 0.000 2.905 90 R HA 0.360 4.724 4.340 0.040 0.000 0.260 90 R C -0.153 176.090 176.300 -0.096 0.000 1.086 90 R CA -0.642 55.404 56.100 -0.089 0.000 0.978 90 R CB 0.656 30.913 30.300 -0.071 0.000 1.215 90 R HN 0.086 nan 8.270 nan 0.000 0.480 91 E N 1.428 121.580 120.200 -0.079 0.000 2.415 91 E HA 0.091 4.465 4.350 0.040 0.000 0.262 91 E C -0.002 176.540 176.600 -0.095 0.000 1.038 91 E CA 0.054 56.406 56.400 -0.080 0.000 0.921 91 E CB 0.535 30.202 29.700 -0.055 0.000 0.950 91 E HN 0.268 nan 8.360 nan 0.000 0.438 92 L N 1.631 122.777 121.223 -0.128 0.000 2.349 92 L HA 0.234 4.598 4.340 0.040 0.000 0.275 92 L C 0.666 177.522 176.870 -0.023 0.000 1.115 92 L CA 0.010 54.743 54.840 -0.177 0.000 0.820 92 L CB 0.921 42.686 42.059 -0.490 0.000 1.135 92 L HN 0.353 nan 8.230 nan 0.000 0.445 93 S N 0.820 116.529 115.700 0.016 0.000 2.537 93 S HA 0.214 4.708 4.470 0.040 0.000 0.271 93 S C 0.272 174.874 174.600 0.003 0.000 1.148 93 S CA -0.660 57.575 58.200 0.057 0.000 0.868 93 S CB 1.646 64.857 63.200 0.019 0.000 1.115 93 S HN 0.742 nan 8.310 nan 0.000 0.461 94 E N 0.993 121.148 120.200 -0.076 0.000 2.268 94 E HA -0.075 4.299 4.350 0.040 0.000 0.195 94 E C -0.264 176.282 176.600 -0.090 0.000 0.995 94 E CA 0.527 56.820 56.400 -0.178 0.000 0.836 94 E CB 0.105 29.646 29.700 -0.264 0.000 0.763 94 E HN 0.533 nan 8.360 nan 0.000 0.491 95 D N 0.436 120.818 120.400 -0.029 0.000 2.470 95 D HA -0.008 4.655 4.640 0.040 0.000 0.226 95 D C 0.065 176.456 176.300 0.152 0.000 1.196 95 D CA -0.275 53.742 54.000 0.028 0.000 0.979 95 D CB 0.026 40.857 40.800 0.052 0.000 1.059 95 D HN 0.143 nan 8.370 nan 0.000 0.515 96 c N 2.513 121.167 118.600 0.091 0.000 3.772 96 c HA 0.376 4.970 4.570 0.040 0.000 0.293 96 c C 0.661 174.821 174.090 0.116 0.000 1.659 96 c CA -0.663 55.787 56.329 0.202 0.000 1.810 96 c CB -1.215 41.347 42.510 0.088 0.000 3.059 96 c HN 0.444 nan 8.230 nan 0.000 0.617 97 L N 2.590 123.599 121.223 -0.358 0.000 2.384 97 L HA 0.398 4.761 4.340 0.040 0.000 0.258 97 L C -0.976 175.224 176.870 -1.117 0.000 1.266 97 L CA 0.496 54.909 54.840 -0.712 0.000 1.162 97 L CB -0.680 40.832 42.059 -0.911 0.000 1.375 97 L HN 0.399 nan 8.230 nan 0.000 0.420 98 Y N 1.787 122.068 120.300 -0.032 0.000 2.545 98 Y HA 0.634 5.208 4.550 0.039 0.000 0.348 98 Y C -0.080 176.012 175.900 0.319 0.000 1.002 98 Y CA -1.261 56.905 58.100 0.111 0.000 1.039 98 Y CB 1.991 40.462 38.460 0.019 0.000 1.271 98 Y HN 0.192 nan 8.280 nan 0.000 0.467 99 L N -0.169 121.239 121.223 0.308 0.000 2.283 99 L HA 0.786 5.150 4.340 0.040 0.000 0.259 99 L C -1.309 175.563 176.870 0.003 0.000 1.027 99 L CA -1.214 53.687 54.840 0.101 0.000 0.828 99 L CB 1.769 43.722 42.059 -0.177 0.000 1.380 99 L HN 0.488 nan 8.230 nan 0.000 0.425 100 N N 0.099 118.799 118.700 0.001 0.000 2.249 100 N HA 0.685 5.448 4.740 0.040 0.000 0.296 100 N C -1.570 173.846 175.510 -0.157 0.000 1.051 100 N CA -0.376 52.594 53.050 -0.133 0.000 0.815 100 N CB 2.862 41.291 38.487 -0.097 0.000 1.487 100 N HN 0.511 nan 8.380 nan 0.000 0.475 101 V N 1.721 121.476 119.914 -0.264 0.000 2.531 101 V HA 0.462 4.606 4.120 0.040 0.000 0.301 101 V C -0.655 175.385 176.094 -0.090 0.000 1.034 101 V CA -0.807 61.434 62.300 -0.097 0.000 0.865 101 V CB 2.004 33.648 31.823 -0.298 0.000 0.995 101 V HN 0.538 nan 8.190 nan 0.000 0.424 102 W N 2.942 124.344 121.300 0.170 0.000 2.520 102 W HA 0.680 5.364 4.660 0.040 0.000 0.323 102 W C 0.280 176.914 176.519 0.191 0.000 1.062 102 W CA -0.420 57.024 57.345 0.165 0.000 1.215 102 W CB 2.363 31.893 29.460 0.118 0.000 1.340 102 W HN 0.647 nan 8.180 nan 0.000 0.516 103 T N 0.045 114.858 114.554 0.431 0.000 2.883 103 T HA 0.519 4.893 4.350 0.040 0.000 0.296 103 T C -2.861 172.012 174.700 0.288 0.000 1.117 103 T CA -2.500 59.808 62.100 0.347 0.000 1.006 103 T CB 2.216 71.316 68.868 0.386 0.000 1.191 103 T HN -0.078 nan 8.240 nan 0.000 0.508 104 P HA 0.184 nan 4.420 nan 0.000 0.267 104 P C -1.574 175.854 177.300 0.213 0.000 1.200 104 P CA -0.081 63.132 63.100 0.188 0.000 0.772 104 P CB 0.010 31.790 31.700 0.133 0.000 0.855 105 Y N 4.596 124.948 120.300 0.088 0.000 2.334 105 Y HA 0.396 4.970 4.550 0.039 0.000 0.336 105 Y C -2.008 173.924 175.900 0.055 0.000 0.960 105 Y CA -2.465 55.678 58.100 0.071 0.000 1.164 105 Y CB 0.952 39.440 38.460 0.047 0.000 1.155 105 Y HN 0.352 nan 8.280 nan 0.000 0.478 106 P HA 0.153 nan 4.420 nan 0.000 0.274 106 P C -0.942 176.287 177.300 -0.118 0.000 1.237 106 P CA -0.553 62.315 63.100 -0.386 0.000 0.793 106 P CB 0.890 32.424 31.700 -0.276 0.000 0.977 107 R N 1.971 122.413 120.500 -0.097 0.000 2.523 107 R HA 0.053 4.416 4.340 0.040 0.000 0.281 107 R C -1.881 174.433 176.300 0.023 0.000 0.969 107 R CA -0.505 55.612 56.100 0.028 0.000 1.093 107 R CB -0.996 29.323 30.300 0.031 0.000 0.917 107 R HN 0.358 nan 8.270 nan 0.000 0.408 108 P HA -0.020 nan 4.420 nan 0.000 0.266 108 P C -0.562 176.753 177.300 0.025 0.000 1.195 108 P CA 0.311 63.438 63.100 0.045 0.000 0.768 108 P CB 1.037 32.777 31.700 0.065 0.000 0.838 109 A N 2.416 125.244 122.820 0.014 0.000 1.929 109 A HA 0.025 4.369 4.320 0.040 0.000 0.216 109 A C 0.934 178.522 177.584 0.006 0.000 1.176 109 A CA 1.405 53.444 52.037 0.004 0.000 0.628 109 A CB -0.658 18.343 19.000 0.002 0.000 0.816 109 A HN 0.628 nan 8.150 nan 0.000 0.444 110 S N -1.016 114.690 115.700 0.011 0.000 2.607 110 S HA 0.626 5.120 4.470 0.040 0.000 0.303 110 S C -3.180 171.430 174.600 0.016 0.000 1.086 110 S CA -1.915 56.290 58.200 0.009 0.000 0.995 110 S CB 1.154 64.357 63.200 0.005 0.000 1.084 110 S HN -0.010 nan 8.310 nan 0.000 0.507 111 P HA 0.165 nan 4.420 nan 0.000 0.260 111 P C -0.679 176.633 177.300 0.020 0.000 1.185 111 P CA 0.402 63.513 63.100 0.018 0.000 0.763 111 P CB 0.026 31.729 31.700 0.004 0.000 0.776 112 T N 5.791 120.368 114.554 0.039 0.000 2.824 112 T HA 0.400 4.773 4.350 0.040 0.000 0.280 112 T C -2.421 172.303 174.700 0.040 0.000 0.995 112 T CA -1.930 60.195 62.100 0.041 0.000 1.009 112 T CB 0.870 69.776 68.868 0.064 0.000 0.955 112 T HN 0.128 nan 8.240 nan 0.000 0.452 113 P HA 0.114 nan 4.420 nan 0.000 0.264 113 P C -0.863 176.467 177.300 0.050 0.000 1.183 113 P CA -0.144 62.965 63.100 0.015 0.000 0.763 113 P CB 0.356 32.049 31.700 -0.012 0.000 0.807 114 V N 5.242 125.199 119.914 0.071 0.000 2.435 114 V HA 0.337 4.481 4.120 0.040 0.000 0.290 114 V C 0.319 176.485 176.094 0.119 0.000 1.030 114 V CA -0.516 61.852 62.300 0.113 0.000 0.881 114 V CB 1.365 33.271 31.823 0.138 0.000 0.983 114 V HN 0.368 nan 8.190 nan 0.000 0.445 115 L N 5.650 126.957 121.223 0.140 0.000 2.313 115 L HA 0.597 4.961 4.340 0.040 0.000 0.283 115 L C -0.682 176.412 176.870 0.374 0.000 1.013 115 L CA -0.311 54.627 54.840 0.164 0.000 0.816 115 L CB 1.665 43.693 42.059 -0.052 0.000 1.236 115 L HN 0.505 nan 8.230 nan 0.000 0.419 116 I N 3.210 124.042 120.570 0.437 0.000 2.355 116 I HA 0.194 4.387 4.170 0.040 0.000 0.288 116 I C -0.597 175.818 176.117 0.498 0.000 0.999 116 I CA -0.434 61.107 61.300 0.401 0.000 1.163 116 I CB 1.286 39.395 38.000 0.182 0.000 1.316 116 I HN 0.629 nan 8.210 nan 0.000 0.454 117 W N 8.566 130.002 121.300 0.226 0.000 2.316 117 W HA 0.541 5.224 4.660 0.039 0.000 0.311 117 W C -1.446 174.985 176.519 -0.146 0.000 1.217 117 W CA -0.548 56.678 57.345 -0.198 0.000 1.199 117 W CB 1.144 30.514 29.460 -0.150 0.000 1.202 117 W HN 0.358 nan 8.180 nan 0.000 0.528 118 I N 9.069 128.999 120.570 -1.067 0.000 2.411 118 I HA 0.076 4.269 4.170 0.040 0.000 0.284 118 I C -0.256 175.072 176.117 -1.314 0.000 1.012 118 I CA -1.115 59.639 61.300 -0.910 0.000 1.119 118 I CB 0.712 38.352 38.000 -0.599 0.000 1.261 118 I HN 0.299 nan 8.210 nan 0.000 0.448 119 Y N 4.556 124.371 120.300 -0.809 0.000 2.426 119 Y HA 0.674 5.247 4.550 0.039 0.000 0.344 119 Y C 0.773 176.489 175.900 -0.308 0.000 1.256 119 Y CA -0.737 57.013 58.100 -0.584 0.000 1.451 119 Y CB -0.034 38.330 38.460 -0.161 0.000 1.342 119 Y HN 0.517 nan 8.280 nan 0.000 0.600 120 G N -0.931 107.858 108.800 -0.018 0.000 2.671 120 G HA2 0.493 4.476 3.960 0.040 0.000 0.275 120 G HA3 0.493 4.476 3.960 0.040 0.000 0.275 120 G C 0.274 175.110 174.900 -0.107 0.000 1.368 120 G CA -0.951 44.071 45.100 -0.129 0.000 1.044 120 G HN 1.730 nan 8.290 nan 0.000 0.543 121 G N -2.730 105.858 108.800 -0.353 0.000 2.188 121 G HA2 0.391 4.375 3.960 0.040 0.000 0.112 121 G HA3 0.391 4.375 3.960 0.040 0.000 0.112 121 G C 1.075 175.493 174.900 -0.803 0.000 1.048 121 G CA 0.693 45.475 45.100 -0.530 0.000 0.720 121 G HN 2.344 nan 8.290 nan 0.000 0.487 122 G N -0.479 107.814 108.800 -0.845 0.000 2.233 122 G HA2 -0.125 3.859 3.960 0.040 0.000 0.270 122 G HA3 -0.125 3.859 3.960 0.040 0.000 0.270 122 G C 0.923 175.555 174.900 -0.446 0.000 1.011 122 G CA 0.800 45.104 45.100 -1.327 0.000 0.762 122 G HN 1.802 nan 8.290 nan 0.000 0.511 123 F N -3.319 116.526 119.950 -0.175 0.000 2.935 123 F HA -0.326 4.225 4.527 0.040 0.000 0.317 123 F C 1.467 177.411 175.800 0.239 0.000 0.699 123 F CA 2.182 60.209 58.000 0.045 0.000 1.127 123 F CB -2.093 36.773 39.000 -0.222 0.000 1.491 123 F HN 0.908 nan 8.300 nan 0.000 0.337 124 Y N -1.058 119.389 120.300 0.246 0.000 2.500 124 Y HA 0.644 5.217 4.550 0.039 0.000 0.246 124 Y C 0.564 176.636 175.900 0.285 0.000 1.146 124 Y CA 0.234 58.514 58.100 0.300 0.000 1.230 124 Y CB 0.062 38.702 38.460 0.299 0.000 1.214 124 Y HN 0.099 nan 8.280 nan 0.000 0.526 125 S N -0.809 114.723 115.700 -0.280 0.000 2.643 125 S HA 0.858 5.352 4.470 0.040 0.000 0.270 125 S C -0.242 174.224 174.600 -0.224 0.000 1.166 125 S CA -0.463 57.589 58.200 -0.247 0.000 0.815 125 S CB 1.417 64.343 63.200 -0.455 0.000 1.139 125 S HN 1.401 nan 8.310 nan 0.000 0.472 126 G N -0.622 108.009 108.800 -0.282 0.000 2.459 126 G HA2 0.545 4.528 3.960 0.040 0.000 0.685 126 G HA3 0.545 4.528 3.960 0.040 0.000 0.685 126 G C -0.662 173.636 174.900 -1.003 0.000 1.303 126 G CA -0.223 44.539 45.100 -0.563 0.000 0.907 126 G HN 2.206 nan 8.290 nan 0.000 0.632 127 A N -0.838 121.309 122.820 -1.121 0.000 2.589 127 A HA 1.006 5.350 4.320 0.040 0.000 0.296 127 A C 0.689 178.086 177.584 -0.311 0.000 1.062 127 A CA 0.585 52.169 52.037 -0.757 0.000 0.686 127 A CB 1.072 19.859 19.000 -0.356 0.000 1.282 127 A HN 2.584 nan 8.150 nan 0.000 0.404 128 A N 0.599 123.461 122.820 0.070 0.000 2.209 128 A HA 0.178 4.521 4.320 0.040 0.000 0.212 128 A C 1.769 179.390 177.584 0.061 0.000 1.158 128 A CA 1.958 54.206 52.037 0.351 0.000 0.742 128 A CB -0.566 18.704 19.000 0.450 0.000 0.790 128 A HN 1.815 nan 8.150 nan 0.000 0.472 129 S N -0.640 114.857 115.700 -0.338 0.000 2.575 129 S HA 0.314 4.807 4.470 0.040 0.000 0.215 129 S C 0.512 174.692 174.600 -0.699 0.000 0.966 129 S CA -0.470 57.093 58.200 -1.061 0.000 0.911 129 S CB -0.579 61.978 63.200 -1.072 0.000 0.780 129 S HN 0.383 nan 8.310 nan 0.000 0.514 130 L N 2.261 123.217 121.223 -0.445 0.000 2.483 130 L HA 0.123 4.487 4.340 0.040 0.000 0.276 130 L C 1.176 177.732 176.870 -0.523 0.000 1.213 130 L CA -0.411 54.112 54.840 -0.528 0.000 0.843 130 L CB 0.208 41.822 42.059 -0.743 0.000 1.107 130 L HN 0.090 nan 8.230 nan 0.000 0.487 131 D N 1.032 121.161 120.400 -0.453 0.000 2.144 131 D HA -0.135 4.529 4.640 0.040 0.000 0.199 131 D C 1.982 178.036 176.300 -0.410 0.000 0.984 131 D CA 1.256 55.058 54.000 -0.329 0.000 0.834 131 D CB -0.021 40.619 40.800 -0.267 0.000 0.955 131 D HN 0.522 nan 8.370 nan 0.000 0.465 132 V N -1.243 118.290 119.914 -0.635 0.000 2.913 132 V HA -0.156 3.988 4.120 0.040 0.000 0.260 132 V C 1.212 176.787 176.094 -0.866 0.000 1.098 132 V CA 1.012 62.916 62.300 -0.659 0.000 1.121 132 V CB -1.136 30.266 31.823 -0.702 0.000 0.714 132 V HN 0.063 nan 8.190 nan 0.000 0.487 133 Y N 0.285 120.040 120.300 -0.909 0.000 2.532 133 Y HA 0.431 5.005 4.550 0.039 0.000 0.283 133 Y C 0.870 176.181 175.900 -0.983 0.000 1.181 133 Y CA -1.870 55.319 58.100 -1.519 0.000 1.256 133 Y CB -0.902 37.049 38.460 -0.849 0.000 1.112 133 Y HN 0.254 nan 8.280 nan 0.000 0.521 134 D N 0.672 120.788 120.400 -0.475 0.000 2.434 134 D HA 0.053 4.716 4.640 0.040 0.000 0.252 134 D C 1.359 177.368 176.300 -0.485 0.000 1.185 134 D CA 0.483 54.280 54.000 -0.337 0.000 0.886 134 D CB 1.325 42.060 40.800 -0.107 0.000 1.148 134 D HN 0.440 nan 8.370 nan 0.000 0.483 135 G N 4.041 111.982 108.800 -1.432 0.000 2.985 135 G HA2 -0.131 3.853 3.960 0.040 0.000 0.209 135 G HA3 -0.131 3.853 3.960 0.040 0.000 0.209 135 G C 1.454 175.802 174.900 -0.920 0.000 1.165 135 G CA -0.064 44.316 45.100 -1.200 0.000 0.776 135 G HN 0.592 nan 8.290 nan 0.000 0.541 136 R N -0.364 119.568 120.500 -0.945 0.000 2.115 136 R HA 0.015 4.378 4.340 0.040 0.000 0.230 136 R C 1.562 177.602 176.300 -0.433 0.000 1.111 136 R CA 0.954 56.717 56.100 -0.562 0.000 0.976 136 R CB -0.677 29.308 30.300 -0.527 0.000 0.870 136 R HN 0.324 nan 8.270 nan 0.000 0.445 137 F N 1.677 121.545 119.950 -0.135 0.000 2.128 137 F HA 0.060 4.611 4.527 0.040 0.000 0.295 137 F C 2.385 178.135 175.800 -0.084 0.000 1.100 137 F CA 0.722 58.667 58.000 -0.092 0.000 1.260 137 F CB -0.606 38.331 39.000 -0.104 0.000 1.009 137 F HN -0.154 nan 8.300 nan 0.000 0.476 138 L N -0.083 121.178 121.223 0.063 0.000 2.083 138 L HA -0.211 4.152 4.340 0.040 0.000 0.209 138 L C 2.716 179.597 176.870 0.019 0.000 1.083 138 L CA 1.125 55.962 54.840 -0.005 0.000 0.752 138 L CB -0.969 41.040 42.059 -0.083 0.000 0.899 138 L HN 0.188 nan 8.230 nan 0.000 0.433 139 A N -0.848 121.986 122.820 0.024 0.000 1.858 139 A HA -0.251 4.093 4.320 0.040 0.000 0.216 139 A C 2.300 179.929 177.584 0.076 0.000 1.190 139 A CA 1.664 53.752 52.037 0.084 0.000 0.617 139 A CB -0.558 18.530 19.000 0.147 0.000 0.827 139 A HN 0.383 nan 8.150 nan 0.000 0.443 140 Q N -0.180 119.650 119.800 0.050 0.000 2.049 140 Q HA -0.079 4.285 4.340 0.040 0.000 0.198 140 Q C 2.186 178.220 176.000 0.057 0.000 0.971 140 Q CA 2.050 57.887 55.803 0.057 0.000 0.833 140 Q CB -0.262 28.495 28.738 0.032 0.000 0.896 140 Q HN 0.418 nan 8.270 nan 0.000 0.434 141 V N 1.038 120.986 119.914 0.056 0.000 2.446 141 V HA -0.087 4.056 4.120 0.040 0.000 0.244 141 V C 1.686 177.798 176.094 0.030 0.000 1.039 141 V CA 1.441 63.768 62.300 0.045 0.000 1.045 141 V CB -0.133 31.718 31.823 0.046 0.000 0.681 141 V HN 0.214 nan 8.190 nan 0.000 0.459 142 E N -0.224 119.992 120.200 0.027 0.000 2.481 142 E HA 0.215 4.588 4.350 0.040 0.000 0.198 142 E C 1.663 178.281 176.600 0.030 0.000 1.027 142 E CA 0.713 57.124 56.400 0.018 0.000 0.900 142 E CB 0.646 30.348 29.700 0.003 0.000 0.993 142 E HN 0.584 nan 8.360 nan 0.000 0.482 143 G N 1.738 110.566 108.800 0.046 0.000 2.160 143 G HA2 -0.306 3.678 3.960 0.040 0.000 0.251 143 G HA3 -0.306 3.678 3.960 0.040 0.000 0.251 143 G C 0.471 175.412 174.900 0.069 0.000 1.008 143 G CA 0.404 45.540 45.100 0.060 0.000 0.724 143 G HN 0.468 nan 8.290 nan 0.000 0.514 144 A N -0.757 122.103 122.820 0.068 0.000 2.322 144 A HA 0.741 5.084 4.320 0.040 0.000 0.269 144 A C 0.468 178.129 177.584 0.129 0.000 1.094 144 A CA -0.032 52.050 52.037 0.075 0.000 0.807 144 A CB 1.308 20.333 19.000 0.041 0.000 1.047 144 A HN 1.107 nan 8.150 nan 0.000 0.487 145 V N 2.866 122.865 119.914 0.141 0.000 2.368 145 V HA 0.293 4.437 4.120 0.040 0.000 0.266 145 V C -0.097 176.129 176.094 0.220 0.000 1.045 145 V CA -0.020 62.396 62.300 0.193 0.000 0.899 145 V CB 0.595 32.522 31.823 0.174 0.000 1.006 145 V HN 0.705 nan 8.190 nan 0.000 0.470 146 L N 6.722 128.133 121.223 0.314 0.000 2.296 146 L HA 0.704 5.068 4.340 0.040 0.000 0.286 146 L C -0.629 176.539 176.870 0.497 0.000 1.023 146 L CA -0.165 54.912 54.840 0.396 0.000 0.812 146 L CB 1.638 43.926 42.059 0.382 0.000 1.223 146 L HN 0.437 nan 8.230 nan 0.000 0.421 147 V N 3.216 123.389 119.914 0.432 0.000 2.628 147 V HA 0.735 4.878 4.120 0.040 0.000 0.306 147 V C -0.377 175.981 176.094 0.441 0.000 1.045 147 V CA -0.450 62.066 62.300 0.361 0.000 0.905 147 V CB 1.906 33.860 31.823 0.218 0.000 0.997 147 V HN 0.858 nan 8.190 nan 0.000 0.436 148 S N 4.737 120.687 115.700 0.416 0.000 2.540 148 S HA 0.864 5.358 4.470 0.040 0.000 0.275 148 S C -0.874 173.886 174.600 0.267 0.000 1.123 148 S CA -0.848 57.599 58.200 0.412 0.000 0.907 148 S CB 2.248 65.824 63.200 0.627 0.000 1.081 148 S HN 0.877 nan 8.310 nan 0.000 0.476 149 M N 1.267 120.985 119.600 0.197 0.000 2.602 149 M HA 0.654 5.158 4.480 0.040 0.000 0.312 149 M C -1.597 174.916 176.300 0.355 0.000 1.181 149 M CA -0.590 54.817 55.300 0.179 0.000 0.910 149 M CB 1.006 33.540 32.600 -0.110 0.000 1.723 149 M HN 0.545 nan 8.290 nan 0.000 0.459 150 N N 2.489 121.457 118.700 0.447 0.000 2.529 150 N HA 0.556 5.320 4.740 0.040 0.000 0.278 150 N C -1.414 174.367 175.510 0.452 0.000 1.146 150 N CA 0.114 53.443 53.050 0.465 0.000 0.980 150 N CB 0.520 39.221 38.487 0.356 0.000 1.124 150 N HN 0.717 nan 8.380 nan 0.000 0.458 151 Y N -1.687 118.777 120.300 0.274 0.000 2.524 151 Y HA 0.561 5.134 4.550 0.039 0.000 0.347 151 Y C -0.036 175.997 175.900 0.222 0.000 1.005 151 Y CA -1.333 56.887 58.100 0.199 0.000 1.025 151 Y CB 0.939 39.449 38.460 0.082 0.000 1.275 151 Y HN 0.196 nan 8.280 nan 0.000 0.460 152 R N 2.002 122.647 120.500 0.243 0.000 2.570 152 R HA 0.447 4.811 4.340 0.040 0.000 0.277 152 R C -0.295 176.162 176.300 0.261 0.000 1.039 152 R CA -0.055 56.143 56.100 0.164 0.000 1.065 152 R CB 0.722 31.079 30.300 0.096 0.000 0.964 152 R HN 0.724 nan 8.270 nan 0.000 0.428 153 V N -0.175 119.930 119.914 0.318 0.000 3.158 153 V HA 0.891 5.035 4.120 0.040 0.000 0.315 153 V C 0.711 177.129 176.094 0.540 0.000 1.148 153 V CA -0.112 62.494 62.300 0.510 0.000 1.042 153 V CB 1.248 33.287 31.823 0.359 0.000 1.101 153 V HN 0.975 nan 8.190 nan 0.000 0.448 154 G N 1.775 110.931 108.800 0.593 0.000 2.564 154 G HA2 -0.276 3.708 3.960 0.040 0.000 0.273 154 G HA3 -0.276 3.708 3.960 0.040 0.000 0.273 154 G C 1.006 176.028 174.900 0.204 0.000 1.242 154 G CA 1.358 46.718 45.100 0.434 0.000 0.951 154 G HN 2.389 nan 8.290 nan 0.000 0.564 155 T N -1.765 112.615 114.554 -0.291 0.000 2.759 155 T HA -0.099 4.275 4.350 0.040 0.000 0.269 155 T C 2.120 176.688 174.700 -0.219 0.000 1.042 155 T CA 2.624 64.319 62.100 -0.675 0.000 1.140 155 T CB -0.396 67.918 68.868 -0.923 0.000 0.864 155 T HN 0.596 nan 8.240 nan 0.000 0.455 156 F N 2.072 122.081 119.950 0.099 0.000 2.186 156 F HA 0.251 4.802 4.527 0.039 0.000 0.299 156 F C 2.799 178.603 175.800 0.008 0.000 1.090 156 F CA 0.758 58.778 58.000 0.033 0.000 1.307 156 F CB -0.928 38.056 39.000 -0.027 0.000 1.019 156 F HN 0.360 nan 8.300 nan 0.000 0.489 157 G N -1.674 107.203 108.800 0.128 0.000 2.545 157 G HA2 -0.024 3.959 3.960 0.040 0.000 0.212 157 G HA3 -0.024 3.959 3.960 0.040 0.000 0.212 157 G C 0.901 175.351 174.900 -0.751 0.000 1.144 157 G CA 0.289 45.203 45.100 -0.309 0.000 0.813 157 G HN 0.344 nan 8.290 nan 0.000 0.531 158 F N -0.440 119.599 119.950 0.148 0.000 2.856 158 F HA 0.446 4.997 4.527 0.040 0.000 0.338 158 F C 0.444 176.311 175.800 0.113 0.000 1.100 158 F CA -0.966 57.096 58.000 0.103 0.000 1.150 158 F CB 0.353 39.414 39.000 0.102 0.000 1.101 158 F HN -0.085 nan 8.300 nan 0.000 0.548 159 L N 2.142 123.400 121.223 0.059 0.000 2.499 159 L HA 0.541 4.905 4.340 0.040 0.000 0.273 159 L C -0.051 176.756 176.870 -0.105 0.000 1.195 159 L CA 0.010 54.778 54.840 -0.120 0.000 0.882 159 L CB 0.446 42.130 42.059 -0.624 0.000 1.133 159 L HN 0.131 nan 8.230 nan 0.000 0.483 160 A N 6.240 129.045 122.820 -0.026 0.000 2.422 160 A HA 0.681 5.025 4.320 0.040 0.000 0.302 160 A C -1.187 176.366 177.584 -0.052 0.000 1.041 160 A CA -0.571 51.446 52.037 -0.033 0.000 0.708 160 A CB 1.341 20.358 19.000 0.029 0.000 1.257 160 A HN 0.700 nan 8.150 nan 0.000 0.414 161 L N 3.304 124.487 121.223 -0.068 0.000 2.387 161 L HA 0.335 4.699 4.340 0.040 0.000 0.259 161 L C -2.489 174.366 176.870 -0.026 0.000 1.050 161 L CA -1.721 53.089 54.840 -0.050 0.000 0.922 161 L CB 1.577 43.595 42.059 -0.069 0.000 1.280 161 L HN 0.397 nan 8.230 nan 0.000 0.449 162 P HA 0.079 nan 4.420 nan 0.000 0.262 162 P C 0.986 178.285 177.300 -0.002 0.000 1.182 162 P CA 0.787 63.886 63.100 -0.003 0.000 0.761 162 P CB 0.945 32.644 31.700 -0.002 0.000 0.795 163 G N 1.912 110.715 108.800 0.005 0.000 2.241 163 G HA2 -0.245 3.739 3.960 0.040 0.000 0.244 163 G HA3 -0.245 3.739 3.960 0.040 0.000 0.244 163 G C 0.404 175.307 174.900 0.005 0.000 0.998 163 G CA 0.238 45.341 45.100 0.005 0.000 0.621 163 G HN 0.806 nan 8.290 nan 0.000 0.519 164 S N 0.019 115.719 115.700 0.001 0.000 2.592 164 S HA 0.597 5.091 4.470 0.040 0.000 0.271 164 S C 1.251 175.858 174.600 0.011 0.000 1.326 164 S CA 0.446 58.647 58.200 0.001 0.000 1.024 164 S CB 1.993 65.187 63.200 -0.010 0.000 0.921 164 S HN 0.452 nan 8.310 nan 0.000 0.527 165 R N 0.586 121.095 120.500 0.015 0.000 2.093 165 R HA -0.017 4.347 4.340 0.040 0.000 0.224 165 R C 1.268 177.587 176.300 0.032 0.000 1.101 165 R CA 1.449 57.563 56.100 0.023 0.000 0.979 165 R CB -0.231 30.082 30.300 0.022 0.000 0.877 165 R HN 0.827 nan 8.270 nan 0.000 0.441 166 E N -0.784 119.435 120.200 0.031 0.000 2.318 166 E HA 0.100 4.474 4.350 0.040 0.000 0.193 166 E C -0.065 176.579 176.600 0.073 0.000 0.998 166 E CA 0.701 57.133 56.400 0.053 0.000 0.859 166 E CB 0.855 30.586 29.700 0.053 0.000 0.812 166 E HN 0.235 nan 8.360 nan 0.000 0.492 167 A N 1.168 124.004 122.820 0.026 0.000 3.370 167 A HA 0.281 4.625 4.320 0.040 0.000 0.295 167 A C -2.142 175.435 177.584 -0.011 0.000 1.030 167 A CA -0.954 51.082 52.037 -0.003 0.000 0.883 167 A CB 0.431 19.339 19.000 -0.153 0.000 1.191 167 A HN -0.073 nan 8.150 nan 0.000 0.507 168 P HA 0.143 nan 4.420 nan 0.000 0.233 168 P C 0.885 178.198 177.300 0.021 0.000 1.167 168 P CA 1.636 64.749 63.100 0.021 0.000 0.770 168 P CB 0.138 31.861 31.700 0.038 0.000 0.837 169 G N 1.024 109.833 108.800 0.015 0.000 2.730 169 G HA2 -0.190 3.794 3.960 0.040 0.000 0.686 169 G HA3 -0.190 3.794 3.960 0.040 0.000 0.686 169 G C -0.081 174.816 174.900 -0.005 0.000 1.343 169 G CA -0.303 44.810 45.100 0.021 0.000 0.826 169 G HN 0.153 nan 8.290 nan 0.000 0.582 170 N N -2.365 116.330 118.700 -0.008 0.000 2.753 170 N HA -0.280 4.484 4.740 0.040 0.000 0.251 170 N C 1.831 177.200 175.510 -0.235 0.000 1.097 170 N CA 2.327 55.310 53.050 -0.110 0.000 0.786 170 N CB -1.672 36.680 38.487 -0.226 0.000 1.137 170 N HN 1.899 nan 8.380 nan 0.000 0.566 171 V N -2.646 117.123 119.914 -0.243 0.000 2.515 171 V HA 0.025 4.169 4.120 0.040 0.000 0.250 171 V C 2.346 178.312 176.094 -0.213 0.000 1.058 171 V CA 2.255 64.459 62.300 -0.159 0.000 1.064 171 V CB -0.916 30.863 31.823 -0.073 0.000 0.675 171 V HN 0.253 nan 8.190 nan 0.000 0.461 172 G N 0.430 108.911 108.800 -0.531 0.000 2.450 172 G HA2 -0.156 3.828 3.960 0.040 0.000 0.220 172 G HA3 -0.156 3.828 3.960 0.040 0.000 0.220 172 G C 1.568 176.436 174.900 -0.054 0.000 1.130 172 G CA 1.231 46.143 45.100 -0.314 0.000 0.760 172 G HN 0.542 nan 8.290 nan 0.000 0.557 173 L N -0.255 120.888 121.223 -0.133 0.000 2.156 173 L HA 0.121 4.485 4.340 0.040 0.000 0.208 173 L C 2.779 179.662 176.870 0.022 0.000 1.095 173 L CA 0.260 54.998 54.840 -0.171 0.000 0.770 173 L CB -0.255 41.393 42.059 -0.685 0.000 0.914 173 L HN 0.184 nan 8.230 nan 0.000 0.439 174 L N -0.527 120.718 121.223 0.036 0.000 2.141 174 L HA -0.192 4.172 4.340 0.040 0.000 0.209 174 L C 2.128 179.120 176.870 0.204 0.000 1.094 174 L CA 0.768 55.727 54.840 0.198 0.000 0.763 174 L CB -0.555 41.598 42.059 0.157 0.000 0.908 174 L HN 0.274 nan 8.230 nan 0.000 0.437 175 D N 0.038 120.545 120.400 0.180 0.000 2.097 175 D HA -0.205 4.459 4.640 0.040 0.000 0.195 175 D C 2.265 178.717 176.300 0.254 0.000 0.989 175 D CA 1.222 55.408 54.000 0.309 0.000 0.827 175 D CB -0.192 40.806 40.800 0.330 0.000 0.966 175 D HN 0.391 nan 8.370 nan 0.000 0.456 176 Q N 0.179 120.059 119.800 0.134 0.000 2.061 176 Q HA -0.149 4.215 4.340 0.040 0.000 0.204 176 Q C 2.306 178.296 176.000 -0.016 0.000 0.984 176 Q CA 1.154 56.956 55.803 -0.002 0.000 0.846 176 Q CB -0.107 28.638 28.738 0.011 0.000 0.902 176 Q HN 0.195 nan 8.270 nan 0.000 0.421 177 R N 0.546 121.145 120.500 0.166 0.000 2.091 177 R HA -0.190 4.174 4.340 0.040 0.000 0.238 177 R C 2.205 178.563 176.300 0.097 0.000 1.136 177 R CA 1.153 57.341 56.100 0.148 0.000 0.959 177 R CB -0.246 30.246 30.300 0.321 0.000 0.856 177 R HN 0.228 nan 8.270 nan 0.000 0.437 178 L N 0.702 122.012 121.223 0.145 0.000 2.046 178 L HA -0.038 4.326 4.340 0.040 0.000 0.208 178 L C 2.272 179.186 176.870 0.073 0.000 1.077 178 L CA 2.090 57.044 54.840 0.189 0.000 0.747 178 L CB -0.689 41.572 42.059 0.337 0.000 0.896 178 L HN 0.259 nan 8.230 nan 0.000 0.432 179 A N -0.917 121.729 122.820 -0.291 0.000 1.940 179 A HA -0.172 4.171 4.320 0.040 0.000 0.219 179 A C 2.108 179.624 177.584 -0.113 0.000 1.176 179 A CA 1.859 53.546 52.037 -0.583 0.000 0.631 179 A CB -0.745 17.689 19.000 -0.944 0.000 0.814 179 A HN 0.419 nan 8.150 nan 0.000 0.446 180 L N -0.776 120.404 121.223 -0.071 0.000 2.056 180 L HA -0.134 4.230 4.340 0.040 0.000 0.207 180 L C 2.587 179.511 176.870 0.091 0.000 1.078 180 L CA 2.165 57.007 54.840 0.003 0.000 0.749 180 L CB -0.996 41.023 42.059 -0.066 0.000 0.901 180 L HN 0.522 nan 8.230 nan 0.000 0.433 181 Q N -1.429 118.435 119.800 0.106 0.000 2.124 181 Q HA -0.264 4.100 4.340 0.040 0.000 0.202 181 Q C 2.168 178.263 176.000 0.158 0.000 0.977 181 Q CA 1.730 57.606 55.803 0.121 0.000 0.850 181 Q CB -0.586 28.227 28.738 0.125 0.000 0.901 181 Q HN 0.506 nan 8.270 nan 0.000 0.429 182 W N -0.683 120.636 121.300 0.032 0.000 2.355 182 W HA -0.189 4.495 4.660 0.039 0.000 0.309 182 W C 1.799 178.353 176.519 0.059 0.000 1.206 182 W CA 1.819 59.202 57.345 0.063 0.000 1.284 182 W CB -0.253 29.247 29.460 0.066 0.000 1.145 182 W HN 0.001 nan 8.180 nan 0.000 0.502 183 V N 1.041 121.183 119.914 0.380 0.000 2.332 183 V HA -0.374 3.769 4.120 0.040 0.000 0.248 183 V C 2.567 178.690 176.094 0.049 0.000 1.055 183 V CA 2.144 64.586 62.300 0.237 0.000 1.038 183 V CB -1.075 30.888 31.823 0.234 0.000 0.651 183 V HN 0.241 nan 8.190 nan 0.000 0.450 184 Q N -0.026 119.805 119.800 0.052 0.000 2.061 184 Q HA -0.246 4.118 4.340 0.040 0.000 0.204 184 Q C 2.220 178.193 176.000 -0.045 0.000 0.984 184 Q CA 1.921 57.737 55.803 0.022 0.000 0.846 184 Q CB -0.361 28.397 28.738 0.034 0.000 0.902 184 Q HN 0.737 nan 8.270 nan 0.000 0.421 185 E N -0.168 119.969 120.200 -0.105 0.000 2.208 185 E HA -0.060 4.313 4.350 0.040 0.000 0.193 185 E C 1.221 177.666 176.600 -0.259 0.000 0.988 185 E CA 0.597 56.898 56.400 -0.166 0.000 0.828 185 E CB 0.192 29.785 29.700 -0.177 0.000 0.763 185 E HN 0.319 nan 8.360 nan 0.000 0.478 186 N N -0.435 118.031 118.700 -0.390 0.000 2.211 186 N HA 0.034 4.798 4.740 0.040 0.000 0.216 186 N C 1.306 176.722 175.510 -0.157 0.000 1.240 186 N CA 0.028 52.788 53.050 -0.484 0.000 0.895 186 N CB 0.540 38.267 38.487 -1.266 0.000 1.102 186 N HN 0.034 nan 8.380 nan 0.000 0.498 187 I N 2.342 122.885 120.570 -0.045 0.000 2.493 187 I HA -0.027 4.166 4.170 0.040 0.000 0.254 187 I C 2.152 178.392 176.117 0.206 0.000 1.160 187 I CA 0.547 61.955 61.300 0.181 0.000 1.445 187 I CB -0.242 37.837 38.000 0.131 0.000 1.086 187 I HN 0.052 nan 8.210 nan 0.000 0.433 188 A N 0.410 123.272 122.820 0.070 0.000 1.986 188 A HA -0.212 4.132 4.320 0.040 0.000 0.220 188 A C 2.488 180.071 177.584 -0.001 0.000 1.171 188 A CA 1.836 53.892 52.037 0.031 0.000 0.640 188 A CB -1.153 17.838 19.000 -0.015 0.000 0.811 188 A HN 0.479 nan 8.150 nan 0.000 0.451 189 A N -1.526 121.252 122.820 -0.069 0.000 2.019 189 A HA 0.061 4.405 4.320 0.040 0.000 0.219 189 A C 1.646 179.012 177.584 -0.363 0.000 1.164 189 A CA 1.313 53.194 52.037 -0.261 0.000 0.644 189 A CB -0.630 18.111 19.000 -0.431 0.000 0.805 189 A HN 0.514 nan 8.150 nan 0.000 0.449 190 F N -1.273 118.630 119.950 -0.077 0.000 2.727 190 F HA 0.370 4.921 4.527 0.040 0.000 0.302 190 F C 1.807 177.617 175.800 0.017 0.000 1.097 190 F CA 0.561 58.530 58.000 -0.051 0.000 1.330 190 F CB 0.184 39.163 39.000 -0.034 0.000 1.084 190 F HN 0.332 nan 8.300 nan 0.000 0.578 191 G N 0.266 109.157 108.800 0.151 0.000 2.141 191 G HA2 -0.159 3.824 3.960 0.040 0.000 0.231 191 G HA3 -0.159 3.824 3.960 0.040 0.000 0.231 191 G C 0.564 175.535 174.900 0.118 0.000 0.984 191 G CA -0.296 44.868 45.100 0.108 0.000 0.660 191 G HN 0.715 nan 8.290 nan 0.000 0.525 192 G N -0.527 108.363 108.800 0.150 0.000 2.448 192 G HA2 0.484 4.468 3.960 0.040 0.000 0.285 192 G HA3 0.484 4.468 3.960 0.040 0.000 0.285 192 G C -0.730 174.219 174.900 0.082 0.000 1.176 192 G CA 0.133 45.307 45.100 0.123 0.000 0.852 192 G HN 0.186 nan 8.290 nan 0.000 0.530 193 D N 1.622 122.058 120.400 0.060 0.000 2.380 193 D HA 0.267 4.930 4.640 0.040 0.000 0.230 193 D C -1.115 175.213 176.300 0.046 0.000 1.154 193 D CA -2.335 51.684 54.000 0.032 0.000 0.859 193 D CB 1.908 42.708 40.800 -0.001 0.000 1.045 193 D HN 0.045 nan 8.370 nan 0.000 0.495 194 P HA -0.079 nan 4.420 nan 0.000 0.226 194 P C 1.180 178.560 177.300 0.134 0.000 1.153 194 P CA 0.708 63.862 63.100 0.091 0.000 0.777 194 P CB 0.151 31.888 31.700 0.061 0.000 0.794 195 M N -1.290 118.329 119.600 0.031 0.000 2.561 195 M HA 0.087 4.591 4.480 0.040 0.000 0.238 195 M C 0.644 176.645 176.300 -0.499 0.000 1.131 195 M CA 0.539 55.780 55.300 -0.099 0.000 1.046 195 M CB 0.050 32.592 32.600 -0.096 0.000 1.532 195 M HN -0.157 nan 8.290 nan 0.000 0.497 196 S N 1.048 116.602 115.700 -0.242 0.000 2.383 196 S HA 0.442 4.936 4.470 0.040 0.000 0.196 196 S C -1.062 173.563 174.600 0.042 0.000 1.364 196 S CA -0.511 57.548 58.200 -0.236 0.000 1.212 196 S CB 0.572 63.674 63.200 -0.163 0.000 1.171 196 S HN 0.013 nan 8.310 nan 0.000 0.456 197 V N 4.117 124.205 119.914 0.290 0.000 2.444 197 V HA 0.549 4.693 4.120 0.040 0.000 0.294 197 V C -0.076 176.195 176.094 0.296 0.000 1.022 197 V CA -0.479 61.995 62.300 0.290 0.000 0.850 197 V CB 1.939 33.953 31.823 0.318 0.000 0.992 197 V HN 0.745 nan 8.190 nan 0.000 0.426 198 T N 6.518 121.191 114.554 0.199 0.000 2.770 198 T HA 0.585 4.959 4.350 0.040 0.000 0.283 198 T C -0.205 174.626 174.700 0.218 0.000 0.988 198 T CA -0.350 61.868 62.100 0.197 0.000 0.957 198 T CB 0.858 69.792 68.868 0.110 0.000 0.930 198 T HN 0.338 nan 8.240 nan 0.000 0.443 199 L N 4.819 126.144 121.223 0.169 0.000 2.349 199 L HA 0.649 5.012 4.340 0.040 0.000 0.275 199 L C -0.371 176.695 176.870 0.328 0.000 1.115 199 L CA -0.768 54.142 54.840 0.117 0.000 0.820 199 L CB 0.307 42.221 42.059 -0.241 0.000 1.135 199 L HN 0.626 nan 8.230 nan 0.000 0.445 200 F N 0.506 120.511 119.950 0.092 0.000 2.601 200 F HA 0.953 5.503 4.527 0.039 0.000 0.309 200 F C -0.318 175.442 175.800 -0.066 0.000 1.089 200 F CA -1.558 56.541 58.000 0.165 0.000 0.940 200 F CB 1.564 40.810 39.000 0.410 0.000 1.273 200 F HN 0.454 nan 8.300 nan 0.000 0.450 201 G N 1.194 109.840 108.800 -0.257 0.000 2.646 201 G HA2 0.495 4.478 3.960 0.040 0.000 0.291 201 G HA3 0.495 4.478 3.960 0.040 0.000 0.291 201 G C -2.527 172.146 174.900 -0.378 0.000 1.445 201 G CA -0.796 43.770 45.100 -0.889 0.000 0.814 201 G HN 0.876 nan 8.290 nan 0.000 0.495 202 E N 0.354 120.301 120.200 -0.421 0.000 2.238 202 E HA 0.637 5.011 4.350 0.040 0.000 0.267 202 E C 0.597 177.118 176.600 -0.132 0.000 0.887 202 E CA 0.249 56.603 56.400 -0.076 0.000 0.769 202 E CB 2.190 31.960 29.700 0.117 0.000 1.187 202 E HN 0.829 nan 8.360 nan 0.000 0.416 203 S N 2.484 118.174 115.700 -0.016 0.000 4.116 203 S HA -0.387 4.106 4.470 0.040 0.000 0.623 203 S C 1.453 176.124 174.600 0.118 0.000 1.933 203 S CA 1.935 60.201 58.200 0.110 0.000 4.224 203 S CB -1.619 61.573 63.200 -0.014 0.000 0.208 203 S HN 0.971 nan 8.310 nan 0.000 0.527 204 A N 0.993 123.752 122.820 -0.102 0.000 1.978 204 A HA 0.094 4.438 4.320 0.040 0.000 0.220 204 A C 2.496 179.808 177.584 -0.453 0.000 1.170 204 A CA 2.597 54.357 52.037 -0.461 0.000 0.636 204 A CB -1.607 16.704 19.000 -1.149 0.000 0.810 204 A HN 1.650 nan 8.150 nan 0.000 0.448 205 G N -0.692 107.896 108.800 -0.354 0.000 2.422 205 G HA2 0.015 3.998 3.960 0.040 0.000 0.218 205 G HA3 0.015 3.998 3.960 0.040 0.000 0.218 205 G C 1.680 176.401 174.900 -0.298 0.000 1.146 205 G CA 1.348 46.200 45.100 -0.414 0.000 0.769 205 G HN 0.785 nan 8.290 nan 0.000 0.547 206 A N 1.117 123.835 122.820 -0.169 0.000 1.897 206 A HA 0.394 4.738 4.320 0.040 0.000 0.215 206 A C 2.819 180.382 177.584 -0.035 0.000 1.181 206 A CA 1.945 53.943 52.037 -0.065 0.000 0.620 206 A CB -0.782 18.236 19.000 0.029 0.000 0.821 206 A HN 0.728 nan 8.150 nan 0.000 0.443 207 A N -0.241 122.579 122.820 -0.000 0.000 1.908 207 A HA -0.122 4.222 4.320 0.040 0.000 0.218 207 A C 2.444 180.034 177.584 0.009 0.000 1.181 207 A CA 2.227 54.258 52.037 -0.010 0.000 0.627 207 A CB -0.956 18.050 19.000 0.011 0.000 0.818 207 A HN 0.450 nan 8.150 nan 0.000 0.445 208 S N -0.432 115.273 115.700 0.009 0.000 2.353 208 S HA -0.166 4.328 4.470 0.040 0.000 0.222 208 S C 1.925 176.501 174.600 -0.039 0.000 1.035 208 S CA 1.516 59.688 58.200 -0.047 0.000 1.025 208 S CB -0.673 62.438 63.200 -0.148 0.000 0.902 208 S HN 0.364 nan 8.310 nan 0.000 0.440 209 V N 1.795 121.687 119.914 -0.037 0.000 2.278 209 V HA -0.246 3.898 4.120 0.040 0.000 0.251 209 V C 2.636 178.735 176.094 0.009 0.000 1.062 209 V CA 2.101 64.385 62.300 -0.027 0.000 1.038 209 V CB -1.625 30.153 31.823 -0.074 0.000 0.646 209 V HN 0.614 nan 8.190 nan 0.000 0.447 210 G N -1.073 107.723 108.800 -0.007 0.000 2.440 210 G HA2 -0.304 3.679 3.960 0.040 0.000 0.218 210 G HA3 -0.304 3.679 3.960 0.040 0.000 0.218 210 G C 1.625 176.547 174.900 0.036 0.000 1.154 210 G CA 1.264 46.365 45.100 0.002 0.000 0.767 210 G HN 0.457 nan 8.290 nan 0.000 0.552 211 M N -0.209 119.393 119.600 0.004 0.000 2.175 211 M HA -0.000 4.504 4.480 0.040 0.000 0.264 211 M C 2.352 178.716 176.300 0.106 0.000 1.063 211 M CA 0.952 56.281 55.300 0.047 0.000 1.119 211 M CB -0.261 32.337 32.600 -0.004 0.000 1.377 211 M HN 0.227 nan 8.290 nan 0.000 0.415 212 H N -0.121 119.063 119.070 0.191 0.000 2.387 212 H HA -0.063 4.517 4.556 0.039 0.000 0.299 212 H C 2.147 177.671 175.328 0.327 0.000 1.090 212 H CA 1.567 57.737 56.048 0.203 0.000 1.332 212 H CB -0.444 29.322 29.762 0.007 0.000 1.386 212 H HN 0.415 nan 8.280 nan 0.000 0.516 213 I N 0.742 121.565 120.570 0.422 0.000 2.264 213 I HA -0.250 3.944 4.170 0.040 0.000 0.248 213 I C 1.832 178.128 176.117 0.299 0.000 1.111 213 I CA 1.129 62.682 61.300 0.422 0.000 1.382 213 I CB -0.097 38.062 38.000 0.265 0.000 1.060 213 I HN 0.107 nan 8.210 nan 0.000 0.418 214 L N -0.935 120.415 121.223 0.212 0.000 2.592 214 L HA 0.121 4.485 4.340 0.040 0.000 0.227 214 L C 0.834 177.743 176.870 0.065 0.000 1.127 214 L CA 0.006 54.946 54.840 0.167 0.000 0.884 214 L CB 0.006 42.146 42.059 0.135 0.000 1.065 214 L HN 0.005 nan 8.230 nan 0.000 0.457 215 S N -0.180 115.527 115.700 0.012 0.000 2.566 215 S HA 0.359 4.852 4.470 0.040 0.000 0.324 215 S C 1.016 175.540 174.600 -0.127 0.000 1.081 215 S CA -0.604 57.485 58.200 -0.185 0.000 1.105 215 S CB 1.139 63.950 63.200 -0.648 0.000 0.981 215 S HN 0.189 nan 8.310 nan 0.000 0.464 216 L N 5.453 126.609 121.223 -0.113 0.000 1.997 216 L HA -0.071 4.292 4.340 0.040 0.000 0.216 216 L C -0.746 176.077 176.870 -0.078 0.000 1.074 216 L CA 1.668 56.459 54.840 -0.081 0.000 0.763 216 L CB -1.081 40.931 42.059 -0.078 0.000 0.890 216 L HN 0.522 nan 8.230 nan 0.000 0.434 217 P HA -0.098 nan 4.420 nan 0.000 0.223 217 P C 1.474 178.766 177.300 -0.012 0.000 1.144 217 P CA 1.088 64.150 63.100 -0.064 0.000 0.783 217 P CB 0.107 31.760 31.700 -0.078 0.000 0.771 218 S N -0.964 114.751 115.700 0.024 0.000 2.446 218 S HA 0.014 4.508 4.470 0.040 0.000 0.225 218 S C 1.835 176.540 174.600 0.175 0.000 1.016 218 S CA 0.437 58.752 58.200 0.192 0.000 0.943 218 S CB -0.321 63.136 63.200 0.429 0.000 0.786 218 S HN 0.086 nan 8.310 nan 0.000 0.508 219 R N 1.973 122.472 120.500 -0.002 0.000 2.152 219 R HA -0.006 4.358 4.340 0.040 0.000 0.232 219 R C 2.286 178.360 176.300 -0.376 0.000 1.117 219 R CA 1.318 57.241 56.100 -0.295 0.000 0.981 219 R CB -1.097 29.081 30.300 -0.203 0.000 0.870 219 R HN 0.571 nan 8.270 nan 0.000 0.451 220 S N -0.003 115.582 115.700 -0.191 0.000 2.603 220 S HA 0.045 4.539 4.470 0.040 0.000 0.229 220 S C 1.710 176.211 174.600 -0.164 0.000 0.972 220 S CA 0.389 58.484 58.200 -0.174 0.000 0.935 220 S CB -0.161 62.986 63.200 -0.088 0.000 0.769 220 S HN 0.233 nan 8.310 nan 0.000 0.536 221 L N 0.372 121.535 121.223 -0.101 0.000 2.640 221 L HA 0.489 4.853 4.340 0.040 0.000 0.230 221 L C 0.014 176.943 176.870 0.099 0.000 1.123 221 L CA -0.369 54.487 54.840 0.027 0.000 0.900 221 L CB -0.070 42.058 42.059 0.115 0.000 1.146 221 L HN 0.508 nan 8.230 nan 0.000 0.484 222 F N -4.213 115.571 119.950 -0.277 0.000 2.773 222 F HA 0.445 4.995 4.527 0.039 0.000 0.314 222 F C 0.280 175.779 175.800 -0.503 0.000 1.160 222 F CA -1.000 56.833 58.000 -0.279 0.000 0.920 222 F CB 0.818 39.776 39.000 -0.070 0.000 1.323 222 F HN -0.151 nan 8.300 nan 0.000 0.457 223 H N -0.622 118.496 119.070 0.081 0.000 3.205 223 H HA 0.456 5.035 4.556 0.039 0.000 0.252 223 H C -0.137 175.218 175.328 0.045 0.000 1.015 223 H CA -0.065 55.958 56.048 -0.041 0.000 1.192 223 H CB 1.111 30.854 29.762 -0.033 0.000 1.474 223 H HN 0.429 nan 8.280 nan 0.000 0.484 224 R N 0.192 120.890 120.500 0.330 0.000 2.739 224 R HA 0.702 5.066 4.340 0.040 0.000 0.271 224 R C -1.521 175.030 176.300 0.418 0.000 1.010 224 R CA -0.649 55.606 56.100 0.258 0.000 0.897 224 R CB 2.918 33.174 30.300 -0.073 0.000 1.236 224 R HN 0.139 nan 8.270 nan 0.000 0.466 225 A N 1.158 124.241 122.820 0.437 0.000 2.486 225 A HA 0.677 5.021 4.320 0.040 0.000 0.300 225 A C -1.456 176.292 177.584 0.273 0.000 1.048 225 A CA -0.597 51.630 52.037 0.317 0.000 0.696 225 A CB 1.896 21.046 19.000 0.249 0.000 1.278 225 A HN 0.296 nan 8.150 nan 0.000 0.405 226 V N 2.295 122.324 119.914 0.192 0.000 2.444 226 V HA 0.495 4.638 4.120 0.040 0.000 0.294 226 V C -1.133 175.050 176.094 0.148 0.000 1.022 226 V CA -0.327 62.027 62.300 0.090 0.000 0.850 226 V CB 1.202 33.100 31.823 0.125 0.000 0.992 226 V HN 0.679 nan 8.190 nan 0.000 0.426 227 L N 5.202 126.484 121.223 0.099 0.000 2.318 227 L HA 0.522 4.886 4.340 0.040 0.000 0.277 227 L C 0.055 177.021 176.870 0.159 0.000 1.008 227 L CA 0.027 54.922 54.840 0.092 0.000 0.846 227 L CB 1.426 43.497 42.059 0.021 0.000 1.220 227 L HN 0.620 nan 8.230 nan 0.000 0.423 228 Q N 2.046 121.984 119.800 0.231 0.000 2.368 228 Q HA 0.436 4.800 4.340 0.040 0.000 0.256 228 Q C 0.074 176.191 176.000 0.195 0.000 0.980 228 Q CA -0.491 55.504 55.803 0.320 0.000 0.887 228 Q CB 1.208 30.213 28.738 0.444 0.000 1.221 228 Q HN 0.634 nan 8.270 nan 0.000 0.458 229 S N 1.168 116.972 115.700 0.173 0.000 3.631 229 S HA -0.146 4.347 4.470 0.040 0.000 0.366 229 S C -0.001 174.788 174.600 0.315 0.000 0.993 229 S CA 0.497 58.832 58.200 0.225 0.000 1.167 229 S CB -1.208 62.122 63.200 0.217 0.000 0.909 229 S HN 1.008 nan 8.310 nan 0.000 0.478 230 G N -0.285 108.657 108.800 0.236 0.000 2.473 230 G HA2 0.604 4.588 3.960 0.040 0.000 0.298 230 G HA3 0.604 4.588 3.960 0.040 0.000 0.298 230 G C -0.923 174.039 174.900 0.105 0.000 1.575 230 G CA 0.177 45.462 45.100 0.308 0.000 0.846 230 G HN 1.026 nan 8.290 nan 0.000 0.585 231 T N -0.836 113.717 114.554 -0.002 0.000 2.894 231 T HA 0.759 5.132 4.350 0.040 0.000 0.309 231 T C -2.328 172.224 174.700 -0.245 0.000 1.208 231 T CA -1.323 60.704 62.100 -0.122 0.000 1.016 231 T CB 3.128 71.912 68.868 -0.140 0.000 1.192 231 T HN 0.286 nan 8.240 nan 0.000 0.491 232 P HA -0.013 nan 4.420 nan 0.000 0.218 232 P C 0.348 177.495 177.300 -0.256 0.000 1.152 232 P CA 0.634 63.611 63.100 -0.205 0.000 0.826 232 P CB -0.092 31.543 31.700 -0.107 0.000 0.790 233 N N 0.804 119.374 118.700 -0.216 0.000 2.317 233 N HA 0.229 4.993 4.740 0.040 0.000 0.245 233 N C 0.894 176.209 175.510 -0.326 0.000 1.294 233 N CA 0.856 53.777 53.050 -0.216 0.000 0.924 233 N CB -0.281 38.120 38.487 -0.145 0.000 1.186 233 N HN 0.244 nan 8.380 nan 0.000 0.495 234 G N -0.965 107.663 108.800 -0.286 0.000 2.655 234 G HA2 -0.135 3.849 3.960 0.040 0.000 0.680 234 G HA3 -0.135 3.849 3.960 0.040 0.000 0.680 234 G C -2.145 172.522 174.900 -0.389 0.000 1.302 234 G CA -0.171 44.714 45.100 -0.358 0.000 0.872 234 G HN 0.554 nan 8.290 nan 0.000 0.540 235 P HA 0.122 nan 4.420 nan 0.000 0.231 235 P C 1.431 178.663 177.300 -0.113 0.000 1.168 235 P CA 2.085 65.044 63.100 -0.236 0.000 0.779 235 P CB -0.037 31.469 31.700 -0.324 0.000 0.844 236 W N -1.741 119.465 121.300 -0.156 0.000 2.773 236 W HA 0.581 5.265 4.660 0.039 0.000 0.297 236 W C 1.024 177.622 176.519 0.130 0.000 1.050 236 W CA 0.436 57.770 57.345 -0.018 0.000 1.467 236 W CB -0.687 28.787 29.460 0.023 0.000 0.977 236 W HN -0.174 nan 8.180 nan 0.000 0.573 237 A N 1.915 124.429 122.820 -0.510 0.000 2.123 237 A HA 0.166 4.510 4.320 0.040 0.000 0.214 237 A C 1.104 178.540 177.584 -0.246 0.000 1.152 237 A CA 1.734 53.528 52.037 -0.404 0.000 0.728 237 A CB -0.710 17.787 19.000 -0.838 0.000 0.814 237 A HN 0.226 nan 8.150 nan 0.000 0.464 238 T N -3.135 111.288 114.554 -0.219 0.000 2.883 238 T HA 0.621 4.995 4.350 0.040 0.000 0.296 238 T C -0.669 173.959 174.700 -0.120 0.000 1.117 238 T CA -0.100 61.886 62.100 -0.189 0.000 1.006 238 T CB 1.441 70.203 68.868 -0.176 0.000 1.191 238 T HN 0.920 nan 8.240 nan 0.000 0.508 239 V N -1.086 118.764 119.914 -0.107 0.000 3.040 239 V HA 0.911 5.055 4.120 0.040 0.000 0.312 239 V C 0.269 176.324 176.094 -0.064 0.000 1.115 239 V CA -0.772 61.481 62.300 -0.077 0.000 0.998 239 V CB 1.351 33.129 31.823 -0.076 0.000 1.042 239 V HN 1.401 nan 8.190 nan 0.000 0.433 240 S N 1.860 117.529 115.700 -0.052 0.000 2.600 240 S HA 0.581 5.075 4.470 0.040 0.000 0.265 240 S C 1.423 176.003 174.600 -0.033 0.000 1.325 240 S CA 0.118 58.294 58.200 -0.039 0.000 1.002 240 S CB 1.221 64.400 63.200 -0.034 0.000 0.921 240 S HN 2.000 nan 8.310 nan 0.000 0.554 241 A N 2.232 125.039 122.820 -0.023 0.000 1.908 241 A HA 0.088 4.432 4.320 0.040 0.000 0.218 241 A C 2.225 179.797 177.584 -0.019 0.000 1.181 241 A CA 1.849 53.876 52.037 -0.016 0.000 0.627 241 A CB -1.879 17.116 19.000 -0.010 0.000 0.818 241 A HN 1.184 nan 8.150 nan 0.000 0.445 242 G N -0.463 108.324 108.800 -0.021 0.000 2.446 242 G HA2 -0.271 3.713 3.960 0.040 0.000 0.217 242 G HA3 -0.271 3.713 3.960 0.040 0.000 0.217 242 G C 1.484 176.367 174.900 -0.028 0.000 1.168 242 G CA 1.420 46.506 45.100 -0.022 0.000 0.771 242 G HN 0.587 nan 8.290 nan 0.000 0.551 243 E N 0.874 121.053 120.200 -0.035 0.000 2.152 243 E HA 0.137 4.510 4.350 0.040 0.000 0.192 243 E C 2.620 179.185 176.600 -0.059 0.000 0.983 243 E CA 1.292 57.663 56.400 -0.048 0.000 0.818 243 E CB -0.496 29.172 29.700 -0.054 0.000 0.758 243 E HN 0.280 nan 8.360 nan 0.000 0.467 244 A N 0.958 123.751 122.820 -0.046 0.000 1.877 244 A HA -0.182 4.161 4.320 0.040 0.000 0.216 244 A C 2.300 179.880 177.584 -0.006 0.000 1.186 244 A CA 1.759 53.779 52.037 -0.028 0.000 0.620 244 A CB -0.632 18.367 19.000 -0.002 0.000 0.822 244 A HN 0.277 nan 8.150 nan 0.000 0.443 245 R N -0.816 119.676 120.500 -0.013 0.000 2.083 245 R HA -0.142 4.221 4.340 0.040 0.000 0.237 245 R C 2.483 178.775 176.300 -0.014 0.000 1.137 245 R CA 1.501 57.593 56.100 -0.013 0.000 0.951 245 R CB -0.312 29.978 30.300 -0.017 0.000 0.851 245 R HN 0.421 nan 8.270 nan 0.000 0.434 246 R N 0.604 121.091 120.500 -0.022 0.000 2.094 246 R HA -0.155 4.208 4.340 0.040 0.000 0.239 246 R C 2.271 178.558 176.300 -0.022 0.000 1.137 246 R CA 2.058 58.144 56.100 -0.024 0.000 0.943 246 R CB -0.214 30.067 30.300 -0.033 0.000 0.850 246 R HN 0.325 nan 8.270 nan 0.000 0.433 247 R N -0.546 119.928 120.500 -0.043 0.000 2.092 247 R HA -0.045 4.319 4.340 0.040 0.000 0.231 247 R C 2.305 178.659 176.300 0.090 0.000 1.119 247 R CA 1.268 57.332 56.100 -0.060 0.000 0.970 247 R CB -0.277 29.856 30.300 -0.279 0.000 0.864 247 R HN 0.222 nan 8.270 nan 0.000 0.440 248 A N 0.481 123.377 122.820 0.127 0.000 1.898 248 A HA -0.119 4.225 4.320 0.040 0.000 0.216 248 A C 2.141 179.736 177.584 0.019 0.000 1.181 248 A CA 1.753 53.859 52.037 0.116 0.000 0.620 248 A CB -0.768 18.245 19.000 0.021 0.000 0.819 248 A HN 0.244 nan 8.150 nan 0.000 0.442 249 T N 0.193 114.747 114.554 0.001 0.000 2.759 249 T HA -0.147 4.227 4.350 0.040 0.000 0.269 249 T C 1.806 176.501 174.700 -0.008 0.000 1.042 249 T CA 1.580 63.671 62.100 -0.014 0.000 1.140 249 T CB -0.322 68.537 68.868 -0.016 0.000 0.864 249 T HN 0.304 nan 8.240 nan 0.000 0.455 250 L N 0.835 122.062 121.223 0.007 0.000 2.072 250 L HA 0.182 4.546 4.340 0.040 0.000 0.205 250 L C 2.156 179.031 176.870 0.009 0.000 1.079 250 L CA 1.345 56.190 54.840 0.007 0.000 0.752 250 L CB -0.895 41.173 42.059 0.015 0.000 0.906 250 L HN 0.172 nan 8.230 nan 0.000 0.436 251 L N -0.052 121.202 121.223 0.050 0.000 2.042 251 L HA -0.124 4.240 4.340 0.040 0.000 0.210 251 L C 2.523 179.374 176.870 -0.033 0.000 1.076 251 L CA 2.046 56.911 54.840 0.042 0.000 0.749 251 L CB -0.899 41.229 42.059 0.115 0.000 0.893 251 L HN 0.293 nan 8.230 nan 0.000 0.432 252 A N -0.270 122.529 122.820 -0.035 0.000 1.883 252 A HA -0.304 4.040 4.320 0.040 0.000 0.217 252 A C 2.529 180.084 177.584 -0.048 0.000 1.186 252 A CA 2.100 54.109 52.037 -0.045 0.000 0.624 252 A CB -0.761 18.211 19.000 -0.047 0.000 0.822 252 A HN 0.545 nan 8.150 nan 0.000 0.444 253 R N -0.354 120.118 120.500 -0.046 0.000 2.083 253 R HA -0.093 4.271 4.340 0.040 0.000 0.237 253 R C 2.006 178.256 176.300 -0.085 0.000 1.137 253 R CA 1.726 57.797 56.100 -0.049 0.000 0.951 253 R CB -0.455 29.823 30.300 -0.036 0.000 0.851 253 R HN 0.524 nan 8.270 nan 0.000 0.434 254 L N 0.874 122.011 121.223 -0.142 0.000 2.191 254 L HA -0.114 4.250 4.340 0.040 0.000 0.212 254 L C 2.026 178.684 176.870 -0.354 0.000 1.103 254 L CA 0.945 55.595 54.840 -0.318 0.000 0.769 254 L CB -0.168 41.579 42.059 -0.519 0.000 0.908 254 L HN 0.249 nan 8.230 nan 0.000 0.438 255 V N -3.575 116.231 119.914 -0.181 0.000 3.514 255 V HA 0.465 4.609 4.120 0.040 0.000 0.301 255 V C 1.182 177.270 176.094 -0.011 0.000 1.346 255 V CA 0.243 62.516 62.300 -0.046 0.000 1.156 255 V CB -0.423 31.414 31.823 0.023 0.000 1.029 255 V HN 0.460 nan 8.190 nan 0.000 0.428 256 G N -0.382 108.400 108.800 -0.029 0.000 2.160 256 G HA2 -0.246 3.738 3.960 0.040 0.000 0.244 256 G HA3 -0.246 3.738 3.960 0.040 0.000 0.244 256 G C 0.044 174.942 174.900 -0.005 0.000 1.022 256 G CA 0.026 45.120 45.100 -0.009 0.000 0.741 256 G HN 0.687 nan 8.290 nan 0.000 0.508 257 c N 2.564 121.156 118.600 -0.012 0.000 2.239 257 c HA 0.633 5.226 4.570 0.040 0.000 0.325 257 c C -0.638 173.445 174.090 -0.012 0.000 1.231 257 c CA -1.197 55.127 56.329 -0.008 0.000 1.652 257 c CB 0.669 43.174 42.510 -0.008 0.000 2.284 257 c HN 0.555 nan 8.230 nan 0.000 0.499 266 D N 1.674 122.066 120.400 -0.012 0.000 2.117 266 D HA -0.098 4.566 4.640 0.040 0.000 0.197 266 D C 1.441 177.732 176.300 -0.014 0.000 0.987 266 D CA 1.830 55.818 54.000 -0.019 0.000 0.829 266 D CB -0.008 40.780 40.800 -0.019 0.000 0.961 266 D HN 0.588 nan 8.370 nan 0.000 0.460 267 T N 1.002 115.554 114.554 -0.003 0.000 2.684 267 T HA -0.165 4.209 4.350 0.040 0.000 0.267 267 T C 1.825 176.530 174.700 0.008 0.000 1.036 267 T CA 1.305 63.409 62.100 0.006 0.000 1.148 267 T CB -0.222 68.651 68.868 0.008 0.000 0.863 267 T HN 0.278 nan 8.240 nan 0.000 0.436 268 E N 0.451 120.653 120.200 0.004 0.000 2.038 268 E HA -0.112 4.262 4.350 0.040 0.000 0.195 268 E C 2.238 178.839 176.600 0.003 0.000 1.000 268 E CA 1.001 57.404 56.400 0.005 0.000 0.803 268 E CB -0.310 29.391 29.700 0.002 0.000 0.750 268 E HN 0.362 nan 8.360 nan 0.000 0.448 269 L N 0.863 122.081 121.223 -0.008 0.000 2.012 269 L HA -0.220 4.144 4.340 0.040 0.000 0.210 269 L C 2.232 179.091 176.870 -0.018 0.000 1.073 269 L CA 1.440 56.269 54.840 -0.019 0.000 0.748 269 L CB -0.119 41.919 42.059 -0.035 0.000 0.891 269 L HN 0.137 nan 8.230 nan 0.000 0.431 270 I N -0.311 120.249 120.570 -0.017 0.000 2.439 270 I HA -0.198 3.996 4.170 0.040 0.000 0.251 270 I C 2.703 178.868 176.117 0.081 0.000 1.139 270 I CA 0.849 62.153 61.300 0.007 0.000 1.438 270 I CB -0.513 37.489 38.000 0.003 0.000 1.085 270 I HN 0.329 nan 8.210 nan 0.000 0.427 271 A N -0.165 122.686 122.820 0.052 0.000 1.902 271 A HA -0.291 4.053 4.320 0.040 0.000 0.217 271 A C 2.515 180.131 177.584 0.053 0.000 1.181 271 A CA 1.978 54.047 52.037 0.053 0.000 0.623 271 A CB -1.293 17.726 19.000 0.033 0.000 0.818 271 A HN 0.609 nan 8.150 nan 0.000 0.443 272 c N -0.724 117.900 118.600 0.040 0.000 2.457 272 c HA 0.091 4.685 4.570 0.040 0.000 0.278 272 c C 2.583 176.705 174.090 0.053 0.000 1.309 272 c CA 0.890 57.241 56.329 0.035 0.000 1.735 272 c CB -1.553 40.968 42.510 0.019 0.000 1.992 272 c HN 0.582 nan 8.230 nan 0.000 0.493 273 L N 0.458 121.726 121.223 0.074 0.000 2.083 273 L HA -0.118 4.245 4.340 0.040 0.000 0.209 273 L C 2.958 179.938 176.870 0.184 0.000 1.083 273 L CA 1.511 56.429 54.840 0.130 0.000 0.752 273 L CB -0.640 41.497 42.059 0.130 0.000 0.899 273 L HN 0.341 nan 8.230 nan 0.000 0.433 274 R N -0.522 120.085 120.500 0.178 0.000 2.193 274 R HA -0.120 4.244 4.340 0.040 0.000 0.229 274 R C 2.188 178.503 176.300 0.026 0.000 1.110 274 R CA 1.676 57.821 56.100 0.074 0.000 0.988 274 R CB -0.434 29.903 30.300 0.061 0.000 0.871 274 R HN 0.528 nan 8.270 nan 0.000 0.458 275 T N -1.570 113.006 114.554 0.037 0.000 3.067 275 T HA 0.069 4.442 4.350 0.040 0.000 0.261 275 T C 0.970 175.681 174.700 0.019 0.000 1.110 275 T CA 0.084 62.197 62.100 0.021 0.000 1.113 275 T CB 0.149 69.031 68.868 0.023 0.000 0.917 275 T HN -0.100 nan 8.240 nan 0.000 0.499 276 R N 2.644 123.162 120.500 0.029 0.000 2.390 276 R HA 0.398 4.762 4.340 0.040 0.000 0.291 276 R C -2.702 173.607 176.300 0.015 0.000 1.070 276 R CA -2.449 53.669 56.100 0.030 0.000 1.014 276 R CB 0.086 30.414 30.300 0.046 0.000 1.007 276 R HN 0.254 nan 8.270 nan 0.000 0.466 277 P HA -0.034 nan 4.420 nan 0.000 0.266 277 P C 0.348 177.625 177.300 -0.039 0.000 1.193 277 P CA 0.222 63.307 63.100 -0.026 0.000 0.770 277 P CB 0.559 32.253 31.700 -0.010 0.000 0.836 278 A N 2.602 125.329 122.820 -0.155 0.000 1.917 278 A HA -0.285 4.059 4.320 0.040 0.000 0.219 278 A C 2.157 179.670 177.584 -0.118 0.000 1.182 278 A CA 1.981 53.892 52.037 -0.211 0.000 0.633 278 A CB -1.211 17.185 19.000 -1.007 0.000 0.819 278 A HN 0.544 nan 8.150 nan 0.000 0.448 279 Q N 0.070 119.796 119.800 -0.124 0.000 2.167 279 Q HA -0.152 4.212 4.340 0.040 0.000 0.202 279 Q C 1.246 177.328 176.000 0.137 0.000 0.970 279 Q CA 1.927 57.817 55.803 0.144 0.000 0.855 279 Q CB -0.398 28.454 28.738 0.190 0.000 0.911 279 Q HN 0.639 nan 8.270 nan 0.000 0.438 280 D N -0.742 119.712 120.400 0.091 0.000 2.149 280 D HA -0.149 4.515 4.640 0.040 0.000 0.198 280 D C 1.439 177.824 176.300 0.141 0.000 0.990 280 D CA 0.784 54.852 54.000 0.113 0.000 0.839 280 D CB -0.027 40.833 40.800 0.101 0.000 0.948 280 D HN 0.219 nan 8.370 nan 0.000 0.460 281 L N 0.104 121.385 121.223 0.097 0.000 2.044 281 L HA -0.082 4.282 4.340 0.040 0.000 0.205 281 L C 2.484 179.388 176.870 0.057 0.000 1.075 281 L CA 0.867 55.727 54.840 0.033 0.000 0.747 281 L CB -0.899 41.080 42.059 -0.133 0.000 0.903 281 L HN -0.042 nan 8.230 nan 0.000 0.435 282 V N -0.294 119.713 119.914 0.154 0.000 2.407 282 V HA -0.274 3.869 4.120 0.040 0.000 0.248 282 V C 2.070 178.260 176.094 0.160 0.000 1.055 282 V CA 1.558 63.996 62.300 0.229 0.000 1.049 282 V CB -0.634 31.459 31.823 0.450 0.000 0.662 282 V HN 0.391 nan 8.190 nan 0.000 0.455 283 D N -0.993 119.465 120.400 0.096 0.000 2.265 283 D HA -0.140 4.524 4.640 0.040 0.000 0.208 283 D C 1.775 177.880 176.300 -0.326 0.000 0.977 283 D CA 1.243 55.205 54.000 -0.064 0.000 0.871 283 D CB -0.144 40.577 40.800 -0.132 0.000 0.925 283 D HN 0.533 nan 8.370 nan 0.000 0.485 284 H N -0.767 118.267 119.070 -0.060 0.000 2.893 284 H HA 0.083 4.663 4.556 0.039 0.000 0.270 284 H C 1.528 176.766 175.328 -0.150 0.000 1.095 284 H CA 0.188 56.145 56.048 -0.151 0.000 1.186 284 H CB 0.649 30.442 29.762 0.052 0.000 1.562 284 H HN 0.414 nan 8.280 nan 0.000 0.536 285 E N 0.322 120.473 120.200 -0.081 0.000 2.204 285 E HA -0.166 4.207 4.350 0.040 0.000 0.194 285 E C 0.877 177.250 176.600 -0.378 0.000 0.989 285 E CA 0.823 57.143 56.400 -0.133 0.000 0.824 285 E CB -0.246 29.323 29.700 -0.218 0.000 0.756 285 E HN 0.337 nan 8.360 nan 0.000 0.477 286 W N 0.455 121.688 121.300 -0.111 0.000 3.256 286 W HA 0.181 4.865 4.660 0.040 0.000 0.269 286 W C 1.101 177.652 176.519 0.053 0.000 1.310 286 W CA 0.018 57.298 57.345 -0.109 0.000 1.673 286 W CB 0.121 29.457 29.460 -0.205 0.000 1.115 286 W HN 0.232 nan 8.180 nan 0.000 0.686 287 H N -0.569 118.622 119.070 0.201 0.000 2.529 287 H HA 0.041 4.620 4.556 0.039 0.000 0.277 287 H C 1.828 177.211 175.328 0.092 0.000 1.004 287 H CA 0.424 56.572 56.048 0.166 0.000 1.167 287 H CB 0.405 30.301 29.762 0.223 0.000 1.445 287 H HN 0.133 nan 8.280 nan 0.000 0.554 288 V N -1.909 118.090 119.914 0.142 0.000 3.578 288 V HA 0.214 4.358 4.120 0.040 0.000 0.290 288 V C 0.472 176.548 176.094 -0.030 0.000 1.376 288 V CA -0.207 62.112 62.300 0.030 0.000 1.083 288 V CB -0.227 31.573 31.823 -0.038 0.000 0.911 288 V HN 0.104 nan 8.190 nan 0.000 0.433 289 L N 2.516 123.742 121.223 0.006 0.000 2.456 289 L HA 0.253 4.616 4.340 0.040 0.000 0.272 289 L C -0.419 176.455 176.870 0.008 0.000 1.189 289 L CA -0.930 53.908 54.840 -0.003 0.000 0.846 289 L CB 0.702 42.791 42.059 0.051 0.000 1.111 289 L HN 0.153 nan 8.230 nan 0.000 0.475 290 P HA -0.054 nan 4.420 nan 0.000 0.229 290 P C -0.028 177.275 177.300 0.004 0.000 1.160 290 P CA 0.862 63.958 63.100 -0.006 0.000 0.777 290 P CB 0.513 32.203 31.700 -0.016 0.000 0.814 291 Q N -0.914 118.891 119.800 0.009 0.000 2.456 291 Q HA 0.310 4.674 4.340 0.040 0.000 0.283 291 Q C -0.769 175.242 176.000 0.018 0.000 1.084 291 Q CA -0.694 55.115 55.803 0.010 0.000 0.801 291 Q CB 2.097 30.837 28.738 0.004 0.000 1.434 291 Q HN -0.063 nan 8.270 nan 0.000 0.419 292 E N 1.041 121.251 120.200 0.016 0.000 2.265 292 E HA 0.367 4.741 4.350 0.040 0.000 0.272 292 E C -1.148 175.456 176.600 0.007 0.000 1.067 292 E CA 0.077 56.487 56.400 0.017 0.000 0.900 292 E CB 0.282 29.992 29.700 0.016 0.000 1.017 292 E HN 0.579 nan 8.360 nan 0.000 0.431 293 S N 3.767 119.467 115.700 0.001 0.000 2.588 293 S HA 0.605 5.099 4.470 0.040 0.000 0.269 293 S C -0.508 174.074 174.600 -0.029 0.000 1.157 293 S CA -1.045 57.147 58.200 -0.013 0.000 0.824 293 S CB 0.718 63.906 63.200 -0.020 0.000 1.126 293 S HN 0.544 nan 8.310 nan 0.000 0.464 294 I N -2.547 118.005 120.570 -0.031 0.000 2.957 294 I HA 0.828 5.022 4.170 0.040 0.000 0.310 294 I C -0.231 175.826 176.117 -0.100 0.000 1.063 294 I CA -1.189 60.091 61.300 -0.034 0.000 1.033 294 I CB 1.138 39.172 38.000 0.057 0.000 1.230 294 I HN 0.783 nan 8.210 nan 0.000 0.447 295 F N 1.707 121.399 119.950 -0.431 0.000 3.074 295 F HA -0.174 4.376 4.527 0.039 0.000 0.287 295 F C -0.403 174.804 175.800 -0.989 0.000 0.932 295 F CA 0.590 58.066 58.000 -0.874 0.000 0.995 295 F CB -0.633 37.773 39.000 -0.989 0.000 0.966 295 F HN 0.604 nan 8.300 nan 0.000 0.721 296 R N 0.470 120.458 120.500 -0.853 0.000 2.621 296 R HA 0.662 5.026 4.340 0.040 0.000 0.284 296 R C -1.160 174.740 176.300 -0.668 0.000 0.998 296 R CA -0.572 55.136 56.100 -0.653 0.000 0.895 296 R CB 1.471 31.651 30.300 -0.200 0.000 1.195 296 R HN -0.000 nan 8.270 nan 0.000 0.450 297 F N -0.706 119.401 119.950 0.262 0.000 2.569 297 F HA 0.339 4.889 4.527 0.039 0.000 0.312 297 F C 1.344 177.153 175.800 0.015 0.000 1.109 297 F CA -0.790 57.360 58.000 0.251 0.000 0.919 297 F CB 2.044 41.288 39.000 0.407 0.000 1.211 297 F HN 0.346 nan 8.300 nan 0.000 0.446 298 S N 0.880 116.528 115.700 -0.086 0.000 2.371 298 S HA 0.029 4.523 4.470 0.040 0.000 0.224 298 S C -0.018 174.169 174.600 -0.688 0.000 1.029 298 S CA 1.065 58.992 58.200 -0.454 0.000 0.978 298 S CB -0.171 62.633 63.200 -0.660 0.000 0.833 298 S HN 0.367 nan 8.310 nan 0.000 0.466 299 F N 1.681 121.651 119.950 0.033 0.000 2.434 299 F HA 0.555 5.106 4.527 0.040 0.000 0.355 299 F C -0.057 175.788 175.800 0.075 0.000 1.115 299 F CA -0.989 57.060 58.000 0.082 0.000 1.010 299 F CB 1.344 40.408 39.000 0.107 0.000 1.234 299 F HN -0.106 nan 8.300 nan 0.000 0.439 300 V N 0.714 120.616 119.914 -0.020 0.000 3.158 300 V HA 0.772 4.916 4.120 0.040 0.000 0.311 300 V C -2.880 172.857 176.094 -0.595 0.000 1.181 300 V CA -3.360 58.606 62.300 -0.556 0.000 1.054 300 V CB 2.026 33.701 31.823 -0.247 0.000 1.085 300 V HN 0.254 nan 8.190 nan 0.000 0.446 301 P HA 0.131 nan 4.420 nan 0.000 0.264 301 P C -0.727 176.435 177.300 -0.231 0.000 1.179 301 P CA 0.494 63.307 63.100 -0.479 0.000 0.763 301 P CB 0.507 31.841 31.700 -0.610 0.000 0.806 302 V N 4.710 124.564 119.914 -0.100 0.000 2.628 302 V HA 0.238 4.382 4.120 0.040 0.000 0.306 302 V C -0.361 175.711 176.094 -0.036 0.000 1.045 302 V CA -0.912 61.354 62.300 -0.056 0.000 0.905 302 V CB 2.147 33.965 31.823 -0.008 0.000 0.997 302 V HN 0.138 nan 8.190 nan 0.000 0.436 303 V N 7.409 127.303 119.914 -0.034 0.000 2.359 303 V HA 0.160 4.304 4.120 0.040 0.000 0.248 303 V C 0.834 176.931 176.094 0.006 0.000 1.091 303 V CA 0.397 62.691 62.300 -0.011 0.000 1.103 303 V CB 0.073 31.883 31.823 -0.022 0.000 1.176 303 V HN 1.057 nan 8.190 nan 0.000 0.488 304 D N 2.703 123.120 120.400 0.029 0.000 2.367 304 D HA 0.113 4.777 4.640 0.040 0.000 0.207 304 D C 1.541 177.862 176.300 0.035 0.000 1.034 304 D CA 0.679 54.700 54.000 0.035 0.000 0.861 304 D CB 0.331 41.164 40.800 0.055 0.000 0.943 304 D HN 0.678 nan 8.370 nan 0.000 0.515 305 G N 0.816 109.638 108.800 0.036 0.000 2.153 305 G HA2 -0.318 3.666 3.960 0.040 0.000 0.252 305 G HA3 -0.318 3.666 3.960 0.040 0.000 0.252 305 G C 0.336 175.256 174.900 0.034 0.000 0.994 305 G CA 0.809 45.925 45.100 0.027 0.000 0.698 305 G HN 0.559 nan 8.290 nan 0.000 0.521 306 D N -1.715 118.722 120.400 0.061 0.000 3.000 306 D HA 0.211 4.874 4.640 0.040 0.000 0.190 306 D C 1.693 178.044 176.300 0.085 0.000 1.503 306 D CA 0.458 54.498 54.000 0.066 0.000 1.496 306 D CB -0.642 40.206 40.800 0.080 0.000 1.163 306 D HN 0.087 nan 8.370 nan 0.000 0.231 307 F N 1.329 121.284 119.950 0.008 0.000 2.069 307 F HA 0.169 4.719 4.527 0.039 0.000 0.298 307 F C 0.626 176.424 175.800 -0.004 0.000 1.113 307 F CA 1.246 59.250 58.000 0.007 0.000 1.214 307 F CB 0.096 39.098 39.000 0.003 0.000 0.978 307 F HN -0.011 nan 8.300 nan 0.000 0.474 308 L N 1.031 122.418 121.223 0.274 0.000 2.264 308 L HA 0.185 4.548 4.340 0.040 0.000 0.287 308 L C 1.416 178.325 176.870 0.065 0.000 1.039 308 L CA -0.184 54.742 54.840 0.143 0.000 0.829 308 L CB 1.184 43.317 42.059 0.124 0.000 1.211 308 L HN 0.116 nan 8.230 nan 0.000 0.427 309 S N 0.404 116.121 115.700 0.028 0.000 2.447 309 S HA -0.037 4.456 4.470 0.040 0.000 0.233 309 S C 0.499 175.105 174.600 0.009 0.000 1.006 309 S CA 0.552 58.758 58.200 0.011 0.000 0.957 309 S CB 0.133 63.328 63.200 -0.008 0.000 0.773 309 S HN 0.702 nan 8.310 nan 0.000 0.507 310 D N 0.146 120.553 120.400 0.012 0.000 2.759 310 D HA 0.308 4.971 4.640 0.040 0.000 0.321 310 D C -0.820 175.482 176.300 0.003 0.000 1.267 310 D CA -0.017 53.986 54.000 0.004 0.000 0.933 310 D CB 1.500 42.300 40.800 0.000 0.000 1.431 310 D HN 0.224 nan 8.370 nan 0.000 0.504 311 T N -0.844 113.705 114.554 -0.008 0.000 2.932 311 T HA 0.191 4.565 4.350 0.040 0.000 0.312 311 T C -1.791 172.900 174.700 -0.014 0.000 1.071 311 T CA -0.679 61.409 62.100 -0.020 0.000 1.128 311 T CB 0.904 69.754 68.868 -0.030 0.000 0.984 311 T HN 0.101 nan 8.240 nan 0.000 0.549 312 P HA -0.157 nan 4.420 nan 0.000 0.216 312 P C 1.513 178.804 177.300 -0.015 0.000 1.154 312 P CA 1.330 64.415 63.100 -0.025 0.000 0.865 312 P CB 0.063 31.718 31.700 -0.074 0.000 0.789 313 E N -0.433 119.748 120.200 -0.031 0.000 2.033 313 E HA -0.259 4.114 4.350 0.040 0.000 0.199 313 E C 1.967 178.570 176.600 0.005 0.000 1.011 313 E CA 1.573 57.962 56.400 -0.019 0.000 0.815 313 E CB -0.618 29.065 29.700 -0.029 0.000 0.755 313 E HN 0.074 nan 8.360 nan 0.000 0.451 314 A N 0.959 123.780 122.820 0.003 0.000 1.908 314 A HA -0.174 4.170 4.320 0.040 0.000 0.218 314 A C 2.253 179.854 177.584 0.028 0.000 1.181 314 A CA 1.418 53.461 52.037 0.010 0.000 0.627 314 A CB -0.694 18.306 19.000 0.001 0.000 0.818 314 A HN 0.337 nan 8.150 nan 0.000 0.445 315 L N -0.180 121.067 121.223 0.040 0.000 2.093 315 L HA -0.128 4.236 4.340 0.040 0.000 0.208 315 L C 2.600 179.564 176.870 0.157 0.000 1.085 315 L CA 1.479 56.362 54.840 0.071 0.000 0.755 315 L CB -0.623 41.481 42.059 0.075 0.000 0.904 315 L HN 0.689 nan 8.230 nan 0.000 0.435 316 I N -2.820 117.843 120.570 0.155 0.000 2.439 316 I HA -0.133 4.061 4.170 0.040 0.000 0.251 316 I C 2.023 178.267 176.117 0.212 0.000 1.139 316 I CA 1.234 62.672 61.300 0.230 0.000 1.438 316 I CB -0.406 37.640 38.000 0.077 0.000 1.085 316 I HN 0.158 nan 8.210 nan 0.000 0.427 317 N N 1.558 120.325 118.700 0.110 0.000 2.188 317 N HA -0.122 4.642 4.740 0.040 0.000 0.184 317 N C 1.871 177.420 175.510 0.064 0.000 1.018 317 N CA 2.268 55.365 53.050 0.079 0.000 0.858 317 N CB -0.445 38.067 38.487 0.042 0.000 0.989 317 N HN 0.677 nan 8.380 nan 0.000 0.426 318 T N -3.465 111.112 114.554 0.038 0.000 3.054 318 T HA 0.310 4.684 4.350 0.040 0.000 0.255 318 T C 0.981 175.624 174.700 -0.095 0.000 1.035 318 T CA -0.355 61.734 62.100 -0.017 0.000 0.941 318 T CB -0.031 68.822 68.868 -0.025 0.000 1.026 318 T HN 0.062 nan 8.240 nan 0.000 0.533 319 G N 0.857 109.575 108.800 -0.137 0.000 2.594 319 G HA2 0.403 4.387 3.960 0.040 0.000 0.243 319 G HA3 0.403 4.387 3.960 0.040 0.000 0.243 319 G C -1.099 173.354 174.900 -0.746 0.000 1.229 319 G CA -0.390 44.373 45.100 -0.563 0.000 0.843 319 G HN 0.318 nan 8.290 nan 0.000 0.578 320 D N -0.072 119.834 120.400 -0.824 0.000 2.381 320 D HA 0.433 5.097 4.640 0.040 0.000 0.235 320 D C -0.557 175.346 176.300 -0.662 0.000 1.068 320 D CA -0.670 53.002 54.000 -0.546 0.000 0.832 320 D CB 0.807 41.444 40.800 -0.273 0.000 1.101 320 D HN 0.101 nan 8.370 nan 0.000 0.515 321 F N 1.995 121.946 119.950 0.000 0.000 2.850 321 F HA 0.218 4.769 4.527 0.040 0.000 0.329 321 F C 1.902 177.705 175.800 0.005 0.000 1.182 321 F CA -0.406 57.597 58.000 0.005 0.000 1.270 321 F CB 0.356 39.369 39.000 0.021 0.000 0.979 321 F HN 0.337 nan 8.300 nan 0.000 0.506 322 Q N 0.202 120.057 119.800 0.092 0.000 2.084 322 Q HA -0.135 4.229 4.340 0.040 0.000 0.202 322 Q C 0.374 176.410 176.000 0.060 0.000 0.978 322 Q CA 1.335 57.177 55.803 0.064 0.000 0.844 322 Q CB -0.008 28.742 28.738 0.020 0.000 0.898 322 Q HN 0.378 nan 8.270 nan 0.000 0.426 323 D N 0.382 120.810 120.400 0.046 0.000 2.706 323 D HA 0.164 4.828 4.640 0.040 0.000 0.236 323 D C -0.634 175.692 176.300 0.043 0.000 1.231 323 D CA 0.068 54.087 54.000 0.031 0.000 0.828 323 D CB 0.146 40.948 40.800 0.004 0.000 1.015 323 D HN 0.013 nan 8.370 nan 0.000 0.484 324 L N 1.010 122.282 121.223 0.081 0.000 2.385 324 L HA 0.312 4.676 4.340 0.040 0.000 0.273 324 L C -1.099 175.838 176.870 0.112 0.000 0.990 324 L CA -0.563 54.338 54.840 0.101 0.000 0.821 324 L CB 2.125 44.277 42.059 0.155 0.000 1.279 324 L HN -0.257 nan 8.230 nan 0.000 0.412 325 Q N 3.217 123.091 119.800 0.123 0.000 2.282 325 Q HA 0.777 5.140 4.340 0.040 0.000 0.260 325 Q C -1.304 174.922 176.000 0.376 0.000 0.964 325 Q CA -0.469 55.457 55.803 0.205 0.000 0.880 325 Q CB 2.478 31.288 28.738 0.119 0.000 1.286 325 Q HN 0.450 nan 8.270 nan 0.000 0.445 326 V N 2.503 122.636 119.914 0.365 0.000 2.638 326 V HA 0.464 4.608 4.120 0.040 0.000 0.306 326 V C -1.364 174.735 176.094 0.009 0.000 1.052 326 V CA -0.897 61.550 62.300 0.245 0.000 0.885 326 V CB 1.905 33.767 31.823 0.065 0.000 0.999 326 V HN 0.618 nan 8.190 nan 0.000 0.424 327 L N 6.965 127.959 121.223 -0.381 0.000 2.296 327 L HA 0.879 5.242 4.340 0.040 0.000 0.286 327 L C -0.407 176.349 176.870 -0.189 0.000 1.023 327 L CA -0.077 54.438 54.840 -0.542 0.000 0.812 327 L CB 1.592 42.867 42.059 -1.307 0.000 1.223 327 L HN 0.617 nan 8.230 nan 0.000 0.421 328 V N 2.171 122.045 119.914 -0.068 0.000 2.962 328 V HA 1.129 5.272 4.120 0.040 0.000 0.313 328 V C -0.174 175.728 176.094 -0.319 0.000 1.099 328 V CA 0.196 62.441 62.300 -0.092 0.000 0.971 328 V CB 1.157 32.888 31.823 -0.154 0.000 1.028 328 V HN 1.067 nan 8.190 nan 0.000 0.430 329 G N 0.902 109.357 108.800 -0.574 0.000 2.430 329 G HA2 0.763 4.746 3.960 0.040 0.000 0.300 329 G HA3 0.763 4.746 3.960 0.040 0.000 0.300 329 G C -1.206 173.371 174.900 -0.537 0.000 1.330 329 G CA 0.073 44.472 45.100 -1.168 0.000 0.813 329 G HN 2.050 nan 8.290 nan 0.000 0.487 330 V N -2.232 117.481 119.914 -0.335 0.000 3.130 330 V HA 0.915 5.058 4.120 0.040 0.000 0.310 330 V C 0.395 176.656 176.094 0.277 0.000 1.158 330 V CA -0.475 61.855 62.300 0.050 0.000 1.029 330 V CB 1.074 32.914 31.823 0.028 0.000 1.057 330 V HN 1.804 nan 8.190 nan 0.000 0.436 331 V N -0.274 119.834 119.914 0.323 0.000 3.134 331 V HA 0.546 4.690 4.120 0.040 0.000 0.313 331 V C 1.401 177.684 176.094 0.314 0.000 1.069 331 V CA -0.056 62.488 62.300 0.406 0.000 1.048 331 V CB 1.176 33.234 31.823 0.392 0.000 1.119 331 V HN 1.053 nan 8.190 nan 0.000 0.461 332 K N -0.262 120.322 120.400 0.306 0.000 2.147 332 K HA -0.056 4.287 4.320 0.040 0.000 0.205 332 K C 0.190 176.912 176.600 0.203 0.000 1.049 332 K CA 1.719 58.139 56.287 0.223 0.000 0.936 332 K CB 0.087 32.695 32.500 0.179 0.000 0.722 332 K HN 0.905 nan 8.250 nan 0.000 0.446 333 D N 0.980 121.509 120.400 0.216 0.000 2.513 333 D HA 0.035 4.699 4.640 0.040 0.000 0.295 333 D C 0.051 176.489 176.300 0.230 0.000 1.202 333 D CA -0.094 54.025 54.000 0.198 0.000 0.849 333 D CB 1.422 42.314 40.800 0.154 0.000 1.116 333 D HN 0.100 nan 8.370 nan 0.000 0.502 334 E N 0.617 120.967 120.200 0.249 0.000 2.110 334 E HA -0.104 4.270 4.350 0.040 0.000 0.193 334 E C 1.967 178.764 176.600 0.329 0.000 0.988 334 E CA 0.669 57.253 56.400 0.307 0.000 0.804 334 E CB 0.179 30.031 29.700 0.254 0.000 0.745 334 E HN 0.455 nan 8.360 nan 0.000 0.458 335 G N 1.066 110.025 108.800 0.265 0.000 2.551 335 G HA2 -0.173 3.811 3.960 0.040 0.000 0.216 335 G HA3 -0.173 3.811 3.960 0.040 0.000 0.216 335 G C 1.745 176.834 174.900 0.315 0.000 1.137 335 G CA 0.859 46.132 45.100 0.289 0.000 0.798 335 G HN 0.365 nan 8.290 nan 0.000 0.536 336 S N 0.156 115.994 115.700 0.230 0.000 2.359 336 S HA -0.248 4.246 4.470 0.040 0.000 0.224 336 S C 2.116 176.724 174.600 0.014 0.000 1.035 336 S CA 1.344 59.630 58.200 0.143 0.000 1.018 336 S CB -0.831 62.355 63.200 -0.023 0.000 0.876 336 S HN 0.384 nan 8.310 nan 0.000 0.448 337 Y N 1.868 122.037 120.300 -0.218 0.000 2.139 337 Y HA -0.227 4.346 4.550 0.039 0.000 0.282 337 Y C 1.777 177.483 175.900 -0.323 0.000 1.179 337 Y CA 1.995 59.799 58.100 -0.492 0.000 1.161 337 Y CB -0.584 37.469 38.460 -0.678 0.000 0.970 337 Y HN 0.316 nan 8.280 nan 0.000 0.511 338 F N -1.244 118.760 119.950 0.091 0.000 2.615 338 F HA -0.047 4.503 4.527 0.038 0.000 0.297 338 F C 1.939 177.780 175.800 0.068 0.000 1.124 338 F CA 0.469 58.512 58.000 0.072 0.000 1.451 338 F CB -0.382 38.591 39.000 -0.044 0.000 1.103 338 F HN -0.019 nan 8.300 nan 0.000 0.569 339 L N -0.001 121.312 121.223 0.149 0.000 2.093 339 L HA -0.146 4.218 4.340 0.040 0.000 0.208 339 L C 2.452 179.371 176.870 0.082 0.000 1.085 339 L CA 1.075 55.883 54.840 -0.054 0.000 0.755 339 L CB -0.864 40.961 42.059 -0.390 0.000 0.904 339 L HN 0.172 nan 8.230 nan 0.000 0.435 340 V N -4.604 115.411 119.914 0.169 0.000 3.141 340 V HA -0.194 3.950 4.120 0.040 0.000 0.265 340 V C 1.427 177.491 176.094 -0.049 0.000 1.126 340 V CA 0.958 63.349 62.300 0.152 0.000 1.141 340 V CB -1.168 30.772 31.823 0.195 0.000 0.743 340 V HN 0.317 nan 8.190 nan 0.000 0.492 341 Y N 1.716 122.024 120.300 0.013 0.000 2.537 341 Y HA 0.620 5.194 4.550 0.039 0.000 0.303 341 Y C 1.741 177.621 175.900 -0.034 0.000 1.176 341 Y CA 0.423 58.503 58.100 -0.034 0.000 1.273 341 Y CB 0.548 38.976 38.460 -0.053 0.000 1.110 341 Y HN 0.438 nan 8.280 nan 0.000 0.518 342 G N -1.315 107.543 108.800 0.096 0.000 3.732 342 G HA2 -0.097 3.887 3.960 0.040 0.000 0.220 342 G HA3 -0.097 3.887 3.960 0.040 0.000 0.220 342 G C -0.768 174.171 174.900 0.066 0.000 0.903 342 G CA -0.500 44.638 45.100 0.063 0.000 0.896 342 G HN -0.043 nan 8.290 nan 0.000 0.685 343 V N 2.934 122.896 119.914 0.080 0.000 2.368 343 V HA 0.401 4.545 4.120 0.040 0.000 0.266 343 V C -1.862 174.384 176.094 0.254 0.000 1.045 343 V CA -1.571 60.794 62.300 0.109 0.000 0.899 343 V CB 1.178 32.975 31.823 -0.043 0.000 1.006 343 V HN 0.070 nan 8.190 nan 0.000 0.470 344 P HA 0.273 nan 4.420 nan 0.000 0.266 344 P C 1.027 178.440 177.300 0.189 0.000 1.195 344 P CA 1.118 64.313 63.100 0.158 0.000 0.768 344 P CB 0.751 32.505 31.700 0.091 0.000 0.838 345 G N 0.822 109.661 108.800 0.064 0.000 2.213 345 G HA2 -0.217 3.767 3.960 0.040 0.000 0.226 345 G HA3 -0.217 3.767 3.960 0.040 0.000 0.226 345 G C -0.205 174.503 174.900 -0.320 0.000 0.992 345 G CA -0.558 44.456 45.100 -0.144 0.000 0.632 345 G HN 0.401 nan 8.290 nan 0.000 0.511 346 F N 1.614 121.552 119.950 -0.020 0.000 2.436 346 F HA 0.780 5.330 4.527 0.039 0.000 0.340 346 F C 0.549 176.410 175.800 0.103 0.000 1.113 346 F CA -0.155 57.844 58.000 -0.001 0.000 1.022 346 F CB 2.282 41.323 39.000 0.068 0.000 1.128 346 F HN 0.160 nan 8.300 nan 0.000 0.466 347 S N 1.933 117.817 115.700 0.305 0.000 2.537 347 S HA 0.266 4.760 4.470 0.040 0.000 0.270 347 S C 0.336 175.188 174.600 0.421 0.000 1.142 347 S CA -0.897 57.494 58.200 0.319 0.000 0.870 347 S CB 1.299 64.597 63.200 0.164 0.000 1.112 347 S HN 0.762 nan 8.310 nan 0.000 0.466 348 K N 1.475 122.033 120.400 0.264 0.000 2.362 348 K HA 0.054 4.398 4.320 0.040 0.000 0.200 348 K C 0.163 176.762 176.600 -0.001 0.000 1.046 348 K CA 1.420 57.764 56.287 0.095 0.000 0.952 348 K CB -0.090 32.181 32.500 -0.381 0.000 0.753 348 K HN 0.440 nan 8.250 nan 0.000 0.466 349 D N 0.693 121.086 120.400 -0.012 0.000 2.350 349 D HA 0.020 4.684 4.640 0.040 0.000 0.213 349 D C -0.304 176.007 176.300 0.017 0.000 1.031 349 D CA 0.292 54.263 54.000 -0.049 0.000 0.861 349 D CB 0.110 40.870 40.800 -0.067 0.000 0.926 349 D HN 0.533 nan 8.370 nan 0.000 0.520 350 N N -1.365 117.379 118.700 0.074 0.000 3.157 350 N HA 0.156 4.920 4.740 0.040 0.000 0.291 350 N C 0.149 175.694 175.510 0.057 0.000 1.515 350 N CA -0.657 52.414 53.050 0.035 0.000 0.807 350 N CB 0.790 39.256 38.487 -0.034 0.000 1.672 350 N HN -0.359 nan 8.380 nan 0.000 0.592 351 E N -0.583 119.586 120.200 -0.051 0.000 2.478 351 E HA 0.028 4.402 4.350 0.040 0.000 0.198 351 E C -0.477 175.761 176.600 -0.604 0.000 1.046 351 E CA 0.363 56.666 56.400 -0.161 0.000 0.870 351 E CB -0.259 29.384 29.700 -0.094 0.000 0.818 351 E HN 0.547 nan 8.360 nan 0.000 0.527 352 S N 0.153 115.508 115.700 -0.575 0.000 3.641 352 S HA -0.189 4.305 4.470 0.040 0.000 0.346 352 S C 0.107 174.238 174.600 -0.783 0.000 1.074 352 S CA 0.156 57.861 58.200 -0.825 0.000 1.026 352 S CB -1.553 60.843 63.200 -1.340 0.000 0.908 352 S HN 0.306 nan 8.310 nan 0.000 0.479 353 L N 1.745 122.682 121.223 -0.476 0.000 2.369 353 L HA 0.439 4.803 4.340 0.040 0.000 0.279 353 L C 0.656 177.334 176.870 -0.320 0.000 1.108 353 L CA -0.030 54.603 54.840 -0.344 0.000 0.852 353 L CB 0.146 42.077 42.059 -0.213 0.000 1.169 353 L HN 0.442 nan 8.230 nan 0.000 0.452 354 I N 0.246 120.633 120.570 -0.305 0.000 2.750 354 I HA 0.636 4.830 4.170 0.040 0.000 0.308 354 I C 0.447 176.502 176.117 -0.104 0.000 1.016 354 I CA -0.622 60.538 61.300 -0.233 0.000 1.098 354 I CB 2.027 39.860 38.000 -0.278 0.000 1.279 354 I HN 0.538 nan 8.210 nan 0.000 0.454 355 S N 3.233 118.902 115.700 -0.053 0.000 2.632 355 S HA 0.352 4.845 4.470 0.040 0.000 0.267 355 S C 0.969 175.599 174.600 0.049 0.000 1.276 355 S CA -0.494 57.700 58.200 -0.011 0.000 0.998 355 S CB 1.547 64.745 63.200 -0.002 0.000 0.953 355 S HN 0.896 nan 8.310 nan 0.000 0.547 356 R N 0.666 121.196 120.500 0.051 0.000 2.091 356 R HA -0.128 4.235 4.340 0.040 0.000 0.238 356 R C 2.360 178.757 176.300 0.161 0.000 1.136 356 R CA 1.620 57.789 56.100 0.116 0.000 0.959 356 R CB -1.117 29.226 30.300 0.072 0.000 0.856 356 R HN 0.854 nan 8.270 nan 0.000 0.437 357 A N 0.570 123.448 122.820 0.097 0.000 1.908 357 A HA -0.238 4.106 4.320 0.040 0.000 0.218 357 A C 2.036 179.674 177.584 0.091 0.000 1.181 357 A CA 1.647 53.733 52.037 0.081 0.000 0.627 357 A CB -0.526 18.505 19.000 0.051 0.000 0.818 357 A HN 0.523 nan 8.150 nan 0.000 0.445 358 Q N -2.041 117.820 119.800 0.101 0.000 2.224 358 Q HA -0.108 4.255 4.340 0.040 0.000 0.203 358 Q C 1.837 177.956 176.000 0.198 0.000 0.970 358 Q CA 1.401 57.276 55.803 0.119 0.000 0.865 358 Q CB -0.242 28.545 28.738 0.081 0.000 0.922 358 Q HN 0.824 nan 8.270 nan 0.000 0.445 359 F N 0.779 120.771 119.950 0.069 0.000 2.163 359 F HA -0.132 4.422 4.527 0.046 0.000 0.297 359 F C 1.684 177.526 175.800 0.071 0.000 1.094 359 F CA 0.872 58.923 58.000 0.085 0.000 1.290 359 F CB 0.146 39.180 39.000 0.056 0.000 1.017 359 F HN -0.053 nan 8.300 nan 0.000 0.483 360 L N 0.127 121.300 121.223 -0.083 0.000 2.093 360 L HA -0.148 4.215 4.340 0.040 0.000 0.208 360 L C 2.820 179.616 176.870 -0.124 0.000 1.085 360 L CA 1.080 55.819 54.840 -0.168 0.000 0.755 360 L CB -1.389 40.662 42.059 -0.012 0.000 0.904 360 L HN 0.249 nan 8.230 nan 0.000 0.435 361 A N 0.628 123.424 122.820 -0.040 0.000 1.930 361 A HA -0.064 4.280 4.320 0.040 0.000 0.217 361 A C 2.424 179.990 177.584 -0.029 0.000 1.175 361 A CA 1.540 53.568 52.037 -0.016 0.000 0.627 361 A CB -1.111 17.904 19.000 0.024 0.000 0.815 361 A HN 0.419 nan 8.150 nan 0.000 0.443 362 G N -0.521 108.264 108.800 -0.024 0.000 2.422 362 G HA2 -0.114 3.870 3.960 0.040 0.000 0.218 362 G HA3 -0.114 3.870 3.960 0.040 0.000 0.218 362 G C 1.482 176.319 174.900 -0.104 0.000 1.146 362 G CA 1.183 46.270 45.100 -0.021 0.000 0.769 362 G HN 0.302 nan 8.290 nan 0.000 0.547 363 V N 1.006 120.786 119.914 -0.223 0.000 2.407 363 V HA -0.148 3.996 4.120 0.040 0.000 0.248 363 V C 2.988 179.016 176.094 -0.110 0.000 1.055 363 V CA 1.685 63.853 62.300 -0.220 0.000 1.049 363 V CB -0.368 31.244 31.823 -0.351 0.000 0.662 363 V HN 0.240 nan 8.190 nan 0.000 0.455 364 R N -0.145 120.304 120.500 -0.085 0.000 2.092 364 R HA 0.033 4.396 4.340 0.040 0.000 0.231 364 R C 2.046 178.327 176.300 -0.031 0.000 1.119 364 R CA 1.356 57.429 56.100 -0.046 0.000 0.970 364 R CB -0.809 29.472 30.300 -0.031 0.000 0.864 364 R HN 0.474 nan 8.270 nan 0.000 0.440 365 I N -0.279 120.273 120.570 -0.029 0.000 2.406 365 I HA -0.071 4.123 4.170 0.040 0.000 0.249 365 I C 2.293 178.398 176.117 -0.019 0.000 1.122 365 I CA 1.399 62.689 61.300 -0.016 0.000 1.431 365 I CB -0.485 37.512 38.000 -0.005 0.000 1.087 365 I HN 0.188 nan 8.210 nan 0.000 0.424 366 G N 0.287 109.067 108.800 -0.034 0.000 2.511 366 G HA2 -0.017 3.967 3.960 0.040 0.000 0.217 366 G HA3 -0.017 3.967 3.960 0.040 0.000 0.217 366 G C 0.817 175.707 174.900 -0.017 0.000 1.133 366 G CA 0.378 45.461 45.100 -0.028 0.000 0.792 366 G HN 0.246 nan 8.290 nan 0.000 0.539 367 V N 1.883 121.769 119.914 -0.048 0.000 2.361 367 V HA 0.219 4.363 4.120 0.040 0.000 0.252 367 V C -1.506 174.567 176.094 -0.035 0.000 0.986 367 V CA -1.036 61.201 62.300 -0.105 0.000 1.033 367 V CB 1.538 33.275 31.823 -0.144 0.000 1.282 367 V HN 0.074 nan 8.190 nan 0.000 0.514 368 P HA -0.090 nan 4.420 nan 0.000 0.223 368 P C 0.978 178.284 177.300 0.010 0.000 1.151 368 P CA 0.930 64.034 63.100 0.006 0.000 0.787 368 P CB 0.586 32.291 31.700 0.009 0.000 0.788 369 Q N -0.340 119.475 119.800 0.026 0.000 2.403 369 Q HA 0.264 4.628 4.340 0.040 0.000 0.203 369 Q C 0.834 176.837 176.000 0.005 0.000 0.932 369 Q CA -0.038 55.776 55.803 0.019 0.000 0.945 369 Q CB -0.457 28.302 28.738 0.036 0.000 1.045 369 Q HN 0.178 nan 8.270 nan 0.000 0.511 370 A N 0.822 123.639 122.820 -0.005 0.000 2.440 370 A HA 0.440 4.784 4.320 0.040 0.000 0.251 370 A C 0.443 178.018 177.584 -0.015 0.000 1.089 370 A CA -0.313 51.714 52.037 -0.016 0.000 0.779 370 A CB 0.207 19.194 19.000 -0.023 0.000 1.022 370 A HN 0.342 nan 8.150 nan 0.000 0.492 371 S N 1.940 117.629 115.700 -0.019 0.000 2.606 371 S HA 0.097 4.590 4.470 0.040 0.000 0.257 371 S C 0.435 175.032 174.600 -0.005 0.000 1.327 371 S CA 0.234 58.426 58.200 -0.014 0.000 0.984 371 S CB 0.361 63.550 63.200 -0.020 0.000 0.941 371 S HN 0.630 nan 8.310 nan 0.000 0.576 372 D N 0.245 120.645 120.400 0.001 0.000 2.106 372 D HA -0.106 4.558 4.640 0.040 0.000 0.191 372 D C 1.762 178.075 176.300 0.022 0.000 0.997 372 D CA 1.181 55.187 54.000 0.010 0.000 0.834 372 D CB -0.519 40.288 40.800 0.012 0.000 0.956 372 D HN 0.420 nan 8.370 nan 0.000 0.448 373 L N 0.691 121.927 121.223 0.022 0.000 2.046 373 L HA -0.059 4.304 4.340 0.040 0.000 0.208 373 L C 2.089 178.993 176.870 0.056 0.000 1.077 373 L CA 1.801 56.666 54.840 0.041 0.000 0.747 373 L CB -0.892 41.187 42.059 0.033 0.000 0.896 373 L HN 0.005 nan 8.230 nan 0.000 0.432 374 A N -0.612 122.221 122.820 0.023 0.000 1.902 374 A HA -0.114 4.230 4.320 0.040 0.000 0.217 374 A C 2.443 180.056 177.584 0.048 0.000 1.181 374 A CA 1.843 53.889 52.037 0.013 0.000 0.623 374 A CB -1.131 17.839 19.000 -0.050 0.000 0.818 374 A HN 0.564 nan 8.150 nan 0.000 0.443 375 A N -0.285 122.554 122.820 0.031 0.000 1.898 375 A HA -0.161 4.183 4.320 0.040 0.000 0.216 375 A C 1.908 179.529 177.584 0.062 0.000 1.181 375 A CA 1.628 53.682 52.037 0.028 0.000 0.620 375 A CB -0.538 18.462 19.000 -0.001 0.000 0.819 375 A HN 0.629 nan 8.150 nan 0.000 0.442 376 E N -0.246 119.999 120.200 0.076 0.000 2.085 376 E HA -0.157 4.217 4.350 0.040 0.000 0.194 376 E C 2.304 178.998 176.600 0.156 0.000 0.994 376 E CA 1.023 57.488 56.400 0.108 0.000 0.801 376 E CB -0.300 29.457 29.700 0.095 0.000 0.743 376 E HN 0.626 nan 8.360 nan 0.000 0.453 377 A N 0.795 123.726 122.820 0.185 0.000 1.933 377 A HA -0.161 4.183 4.320 0.040 0.000 0.218 377 A C 2.481 180.217 177.584 0.254 0.000 1.175 377 A CA 1.246 53.441 52.037 0.265 0.000 0.628 377 A CB -0.617 18.637 19.000 0.423 0.000 0.814 377 A HN 0.123 nan 8.150 nan 0.000 0.444 378 V N -0.518 119.557 119.914 0.268 0.000 2.295 378 V HA -0.223 3.921 4.120 0.040 0.000 0.246 378 V C 2.566 178.843 176.094 0.305 0.000 1.049 378 V CA 1.966 64.424 62.300 0.262 0.000 1.024 378 V CB -0.787 31.146 31.823 0.183 0.000 0.648 378 V HN 0.368 nan 8.190 nan 0.000 0.447 379 V N -0.171 119.873 119.914 0.217 0.000 2.343 379 V HA -0.251 3.893 4.120 0.040 0.000 0.247 379 V C 2.261 178.582 176.094 0.378 0.000 1.051 379 V CA 1.961 64.432 62.300 0.286 0.000 1.036 379 V CB -0.497 31.429 31.823 0.171 0.000 0.654 379 V HN 0.450 nan 8.190 nan 0.000 0.451 380 L N -0.868 120.557 121.223 0.336 0.000 2.156 380 L HA -0.141 4.223 4.340 0.040 0.000 0.208 380 L C 2.508 179.583 176.870 0.343 0.000 1.095 380 L CA 1.670 56.775 54.840 0.443 0.000 0.770 380 L CB -0.701 41.540 42.059 0.305 0.000 0.914 380 L HN 0.450 nan 8.230 nan 0.000 0.439 381 H N -0.775 118.301 119.070 0.011 0.000 2.357 381 H HA -0.173 4.408 4.556 0.043 0.000 0.301 381 H C 1.808 177.021 175.328 -0.192 0.000 1.082 381 H CA 1.873 57.767 56.048 -0.258 0.000 1.342 381 H CB 0.071 29.327 29.762 -0.842 0.000 1.389 381 H HN 0.224 nan 8.280 nan 0.000 0.511 382 Y N -0.048 120.308 120.300 0.093 0.000 2.510 382 Y HA 0.126 4.699 4.550 0.038 0.000 0.273 382 Y C 0.776 176.642 175.900 -0.057 0.000 1.119 382 Y CA 0.361 58.524 58.100 0.105 0.000 1.286 382 Y CB 0.286 38.952 38.460 0.344 0.000 1.061 382 Y HN 0.035 nan 8.280 nan 0.000 0.542 383 T N 1.798 116.334 114.554 -0.029 0.000 2.902 383 T HA -0.089 4.284 4.350 0.040 0.000 0.301 383 T C -0.146 174.209 174.700 -0.576 0.000 1.012 383 T CA -0.092 61.712 62.100 -0.494 0.000 1.151 383 T CB 0.164 68.438 68.868 -0.991 0.000 0.946 383 T HN 0.088 nan 8.240 nan 0.000 0.542 384 D N 2.262 122.384 120.400 -0.463 0.000 2.365 384 D HA 0.062 4.726 4.640 0.040 0.000 0.237 384 D C 0.069 176.110 176.300 -0.432 0.000 1.190 384 D CA -0.533 53.278 54.000 -0.315 0.000 0.867 384 D CB 0.396 41.104 40.800 -0.154 0.000 1.050 384 D HN 0.633 nan 8.370 nan 0.000 0.491 385 W N 3.201 124.429 121.300 -0.120 0.000 2.825 385 W HA 0.060 4.742 4.660 0.036 0.000 0.243 385 W C 1.991 178.396 176.519 -0.190 0.000 1.293 385 W CA -0.288 56.981 57.345 -0.127 0.000 1.403 385 W CB 0.109 29.510 29.460 -0.098 0.000 1.134 385 W HN 0.431 nan 8.180 nan 0.000 0.666 386 L N -1.186 119.947 121.223 -0.150 0.000 2.179 386 L HA -0.071 4.293 4.340 0.040 0.000 0.208 386 L C 0.243 176.681 176.870 -0.720 0.000 1.096 386 L CA 1.088 55.666 54.840 -0.436 0.000 0.779 386 L CB -0.221 41.493 42.059 -0.576 0.000 0.922 386 L HN 0.019 nan 8.230 nan 0.000 0.443 387 H N -1.851 117.058 119.070 -0.268 0.000 2.439 387 H HA 0.155 4.719 4.556 0.012 0.000 0.230 387 H C -1.836 173.267 175.328 -0.375 0.000 1.420 387 H CA -1.344 54.491 56.048 -0.354 0.000 1.305 387 H CB 0.174 29.555 29.762 -0.635 0.000 1.667 387 H HN -0.032 nan 8.280 nan 0.000 0.515 388 P HA -0.141 nan 4.420 nan 0.000 0.223 388 P C 0.477 177.632 177.300 -0.241 0.000 1.151 388 P CA 1.193 64.081 63.100 -0.354 0.000 0.787 388 P CB 0.619 32.158 31.700 -0.267 0.000 0.788 389 E N -0.546 119.574 120.200 -0.132 0.000 2.603 389 E HA 0.068 4.442 4.350 0.040 0.000 0.211 389 E C -0.210 176.347 176.600 -0.072 0.000 0.995 389 E CA -0.267 56.081 56.400 -0.086 0.000 0.990 389 E CB 0.057 29.734 29.700 -0.038 0.000 1.036 389 E HN 0.200 nan 8.360 nan 0.000 0.475 390 D N 2.007 122.359 120.400 -0.079 0.000 2.358 390 D HA 0.014 4.678 4.640 0.040 0.000 0.258 390 D C -1.648 174.633 176.300 -0.032 0.000 1.223 390 D CA -1.832 52.148 54.000 -0.033 0.000 0.886 390 D CB 1.285 42.087 40.800 0.003 0.000 1.120 390 D HN -0.175 nan 8.370 nan 0.000 0.482 391 P HA -0.119 nan 4.420 nan 0.000 0.217 391 P C 1.134 178.379 177.300 -0.091 0.000 1.150 391 P CA 1.052 64.100 63.100 -0.085 0.000 0.832 391 P CB 0.175 31.814 31.700 -0.101 0.000 0.787 392 T N -1.583 112.934 114.554 -0.061 0.000 2.708 392 T HA -0.190 4.184 4.350 0.040 0.000 0.266 392 T C 1.542 176.197 174.700 -0.075 0.000 1.037 392 T CA 1.672 63.725 62.100 -0.079 0.000 1.146 392 T CB -1.119 67.696 68.868 -0.087 0.000 0.865 392 T HN 0.255 nan 8.240 nan 0.000 0.435 393 H N 0.670 119.674 119.070 -0.110 0.000 2.353 393 H HA 0.085 4.657 4.556 0.027 0.000 0.300 393 H C 2.170 177.397 175.328 -0.169 0.000 1.090 393 H CA 1.199 57.178 56.048 -0.115 0.000 1.327 393 H CB -0.416 29.269 29.762 -0.129 0.000 1.383 393 H HN 0.200 nan 8.280 nan 0.000 0.508 394 L N -0.040 121.118 121.223 -0.107 0.000 2.056 394 L HA -0.155 4.209 4.340 0.040 0.000 0.207 394 L C 2.759 179.580 176.870 -0.083 0.000 1.078 394 L CA 1.102 55.759 54.840 -0.305 0.000 0.749 394 L CB -0.338 41.556 42.059 -0.275 0.000 0.901 394 L HN 0.243 nan 8.230 nan 0.000 0.433 395 R N 0.589 121.079 120.500 -0.018 0.000 2.073 395 R HA -0.188 4.175 4.340 0.040 0.000 0.234 395 R C 1.586 178.015 176.300 0.215 0.000 1.134 395 R CA 2.119 58.277 56.100 0.096 0.000 0.952 395 R CB -0.388 29.820 30.300 -0.154 0.000 0.850 395 R HN 0.351 nan 8.270 nan 0.000 0.433 396 D N 0.316 120.789 120.400 0.123 0.000 2.224 396 D HA -0.051 4.613 4.640 0.040 0.000 0.205 396 D C 1.702 178.110 176.300 0.181 0.000 0.965 396 D CA 1.231 55.329 54.000 0.164 0.000 0.852 396 D CB -0.117 40.733 40.800 0.083 0.000 0.947 396 D HN 0.371 nan 8.370 nan 0.000 0.494 397 A N 0.701 123.601 122.820 0.133 0.000 1.930 397 A HA -0.141 4.203 4.320 0.040 0.000 0.217 397 A C 2.129 179.871 177.584 0.264 0.000 1.175 397 A CA 1.270 53.424 52.037 0.195 0.000 0.627 397 A CB -0.406 18.593 19.000 -0.001 0.000 0.815 397 A HN 0.119 nan 8.150 nan 0.000 0.443 398 M N -0.015 119.791 119.600 0.344 0.000 2.086 398 M HA -0.101 4.403 4.480 0.040 0.000 0.261 398 M C 2.326 178.707 176.300 0.134 0.000 1.067 398 M CA 2.146 57.642 55.300 0.327 0.000 1.116 398 M CB -0.670 32.162 32.600 0.387 0.000 1.348 398 M HN 0.408 nan 8.290 nan 0.000 0.407 399 S N -0.240 115.568 115.700 0.180 0.000 2.359 399 S HA -0.178 4.316 4.470 0.040 0.000 0.223 399 S C 2.077 176.768 174.600 0.152 0.000 1.039 399 S CA 1.932 60.242 58.200 0.184 0.000 1.042 399 S CB -0.763 62.608 63.200 0.284 0.000 0.915 399 S HN 0.644 nan 8.310 nan 0.000 0.439 400 A N 0.868 123.794 122.820 0.177 0.000 1.892 400 A HA -0.068 4.276 4.320 0.040 0.000 0.218 400 A C 2.408 180.038 177.584 0.078 0.000 1.188 400 A CA 2.054 54.217 52.037 0.209 0.000 0.631 400 A CB -1.303 17.925 19.000 0.380 0.000 0.822 400 A HN 0.486 nan 8.150 nan 0.000 0.447 401 V N -0.472 119.329 119.914 -0.189 0.000 2.282 401 V HA -0.264 3.880 4.120 0.040 0.000 0.249 401 V C 2.581 178.612 176.094 -0.105 0.000 1.057 401 V CA 2.180 64.302 62.300 -0.296 0.000 1.032 401 V CB -0.719 30.936 31.823 -0.279 0.000 0.645 401 V HN 0.398 nan 8.190 nan 0.000 0.447 402 V N 0.495 120.375 119.914 -0.057 0.000 2.379 402 V HA -0.110 4.034 4.120 0.040 0.000 0.245 402 V C 2.579 178.599 176.094 -0.123 0.000 1.044 402 V CA 2.029 64.290 62.300 -0.065 0.000 1.036 402 V CB -1.221 30.610 31.823 0.013 0.000 0.664 402 V HN 0.609 nan 8.190 nan 0.000 0.453 403 G N -0.338 108.451 108.800 -0.019 0.000 2.402 403 G HA2 -0.215 3.769 3.960 0.040 0.000 0.216 403 G HA3 -0.215 3.769 3.960 0.040 0.000 0.216 403 G C 1.225 176.067 174.900 -0.097 0.000 1.162 403 G CA 0.960 46.057 45.100 -0.006 0.000 0.777 403 G HN 0.493 nan 8.290 nan 0.000 0.539 404 D N -0.173 120.176 120.400 -0.085 0.000 2.084 404 D HA -0.078 4.585 4.640 0.040 0.000 0.196 404 D C 2.104 178.080 176.300 -0.539 0.000 0.985 404 D CA 1.244 55.151 54.000 -0.156 0.000 0.826 404 D CB -0.554 40.318 40.800 0.120 0.000 0.978 404 D HN 0.373 nan 8.370 nan 0.000 0.456 405 H N 1.054 119.517 119.070 -1.012 0.000 2.319 405 H HA -0.031 4.548 4.556 0.039 0.000 0.299 405 H C 1.493 176.413 175.328 -0.681 0.000 1.092 405 H CA 1.856 57.130 56.048 -1.290 0.000 1.302 405 H CB 0.020 29.029 29.762 -1.255 0.000 1.373 405 H HN 0.011 nan 8.280 nan 0.000 0.497 406 N N -0.976 117.283 118.700 -0.735 0.000 2.409 406 N HA 0.008 4.772 4.740 0.040 0.000 0.174 406 N C 1.298 176.574 175.510 -0.391 0.000 1.037 406 N CA 1.105 53.664 53.050 -0.818 0.000 0.898 406 N CB 1.038 38.478 38.487 -1.745 0.000 1.010 406 N HN 0.284 nan 8.380 nan 0.000 0.445 407 V N -0.445 119.301 119.914 -0.280 0.000 3.278 407 V HA 0.062 4.206 4.120 0.040 0.000 0.215 407 V C 2.178 178.235 176.094 -0.062 0.000 1.287 407 V CA 0.200 62.466 62.300 -0.057 0.000 1.302 407 V CB -0.110 31.758 31.823 0.075 0.000 1.228 407 V HN -0.175 nan 8.190 nan 0.000 0.523 408 V N 0.053 119.930 119.914 -0.062 0.000 2.295 408 V HA -0.289 3.855 4.120 0.040 0.000 0.246 408 V C 2.490 178.548 176.094 -0.059 0.000 1.049 408 V CA 2.600 64.876 62.300 -0.040 0.000 1.024 408 V CB -0.783 31.046 31.823 0.011 0.000 0.648 408 V HN 0.658 nan 8.190 nan 0.000 0.447 409 c N -0.481 118.072 118.600 -0.078 0.000 2.486 409 c HA 0.032 4.626 4.570 0.040 0.000 0.279 409 c C 0.583 174.637 174.090 -0.060 0.000 1.302 409 c CA 0.820 57.129 56.329 -0.033 0.000 1.720 409 c CB -1.742 40.772 42.510 0.007 0.000 2.030 409 c HN 0.455 nan 8.230 nan 0.000 0.490 410 P HA -0.092 nan 4.420 nan 0.000 0.216 410 P C 1.739 178.974 177.300 -0.108 0.000 1.153 410 P CA 1.440 64.466 63.100 -0.124 0.000 0.858 410 P CB -0.173 31.421 31.700 -0.175 0.000 0.789 411 V N 0.091 119.943 119.914 -0.103 0.000 2.295 411 V HA -0.265 3.879 4.120 0.040 0.000 0.246 411 V C 2.473 178.469 176.094 -0.163 0.000 1.049 411 V CA 2.280 64.503 62.300 -0.128 0.000 1.024 411 V CB -1.707 30.039 31.823 -0.129 0.000 0.648 411 V HN 0.106 nan 8.190 nan 0.000 0.447 412 A N -0.659 122.084 122.820 -0.128 0.000 1.902 412 A HA -0.332 4.012 4.320 0.040 0.000 0.217 412 A C 2.227 179.776 177.584 -0.057 0.000 1.181 412 A CA 2.294 54.267 52.037 -0.107 0.000 0.623 412 A CB -0.555 18.436 19.000 -0.015 0.000 0.818 412 A HN 0.624 nan 8.150 nan 0.000 0.443 413 Q N -0.917 118.860 119.800 -0.038 0.000 2.050 413 Q HA -0.169 4.194 4.340 0.040 0.000 0.202 413 Q C 1.968 177.944 176.000 -0.040 0.000 0.980 413 Q CA 1.802 57.596 55.803 -0.016 0.000 0.840 413 Q CB -0.313 28.414 28.738 -0.018 0.000 0.898 413 Q HN 0.516 nan 8.270 nan 0.000 0.424 414 L N 0.542 121.714 121.223 -0.086 0.000 2.017 414 L HA -0.110 4.253 4.340 0.040 0.000 0.208 414 L C 2.258 179.051 176.870 -0.129 0.000 1.073 414 L CA 2.297 57.069 54.840 -0.113 0.000 0.745 414 L CB -1.051 40.926 42.059 -0.138 0.000 0.894 414 L HN 0.313 nan 8.230 nan 0.000 0.432 415 A N -0.492 122.217 122.820 -0.184 0.000 1.892 415 A HA -0.187 4.156 4.320 0.040 0.000 0.218 415 A C 2.348 179.910 177.584 -0.037 0.000 1.188 415 A CA 2.003 53.881 52.037 -0.265 0.000 0.631 415 A CB -1.711 16.867 19.000 -0.704 0.000 0.822 415 A HN 0.560 nan 8.150 nan 0.000 0.447 416 G N -1.091 107.753 108.800 0.073 0.000 2.402 416 G HA2 -0.183 3.800 3.960 0.040 0.000 0.216 416 G HA3 -0.183 3.800 3.960 0.040 0.000 0.216 416 G C 1.673 176.644 174.900 0.118 0.000 1.162 416 G CA 0.776 46.001 45.100 0.207 0.000 0.777 416 G HN 0.400 nan 8.290 nan 0.000 0.539 417 R N 0.186 120.724 120.500 0.063 0.000 2.073 417 R HA 0.153 4.517 4.340 0.040 0.000 0.229 417 R C 2.651 179.002 176.300 0.084 0.000 1.120 417 R CA 0.385 56.529 56.100 0.075 0.000 0.967 417 R CB -1.132 29.206 30.300 0.063 0.000 0.862 417 R HN 0.387 nan 8.270 nan 0.000 0.436 418 L N 0.339 121.545 121.223 -0.028 0.000 2.012 418 L HA -0.168 4.196 4.340 0.040 0.000 0.210 418 L C 2.587 179.495 176.870 0.062 0.000 1.073 418 L CA 1.558 56.340 54.840 -0.097 0.000 0.748 418 L CB -0.666 41.254 42.059 -0.231 0.000 0.891 418 L HN 0.159 nan 8.230 nan 0.000 0.431 419 A N -0.103 122.766 122.820 0.081 0.000 1.873 419 A HA -0.144 4.200 4.320 0.040 0.000 0.215 419 A C 2.524 180.166 177.584 0.097 0.000 1.186 419 A CA 1.630 53.729 52.037 0.102 0.000 0.616 419 A CB -0.746 18.348 19.000 0.157 0.000 0.823 419 A HN 0.399 nan 8.150 nan 0.000 0.442 420 A N -1.015 121.866 122.820 0.103 0.000 1.940 420 A HA -0.173 4.171 4.320 0.040 0.000 0.219 420 A C 1.867 179.510 177.584 0.098 0.000 1.176 420 A CA 1.725 53.814 52.037 0.087 0.000 0.631 420 A CB -0.373 18.677 19.000 0.084 0.000 0.814 420 A HN 0.593 nan 8.150 nan 0.000 0.446 421 Q N -1.665 118.227 119.800 0.153 0.000 2.217 421 Q HA 0.393 4.756 4.340 0.040 0.000 0.226 421 Q C 0.844 176.952 176.000 0.179 0.000 0.875 421 Q CA 0.490 56.396 55.803 0.170 0.000 0.974 421 Q CB 0.303 29.194 28.738 0.255 0.000 1.079 421 Q HN 0.820 nan 8.270 nan 0.000 0.463 422 G N -0.727 108.154 108.800 0.135 0.000 2.176 422 G HA2 -0.267 3.716 3.960 0.040 0.000 0.232 422 G HA3 -0.267 3.716 3.960 0.040 0.000 0.232 422 G C 0.294 175.263 174.900 0.115 0.000 0.986 422 G CA -0.184 44.977 45.100 0.102 0.000 0.643 422 G HN 0.551 nan 8.290 nan 0.000 0.522 423 A N 0.047 122.957 122.820 0.150 0.000 2.351 423 A HA 0.710 5.054 4.320 0.040 0.000 0.257 423 A C 0.716 178.334 177.584 0.057 0.000 1.087 423 A CA 0.519 52.624 52.037 0.114 0.000 0.798 423 A CB 0.335 19.386 19.000 0.086 0.000 1.033 423 A HN 0.832 nan 8.150 nan 0.000 0.488 424 R N 1.556 122.086 120.500 0.050 0.000 2.196 424 R HA 0.494 4.858 4.340 0.040 0.000 0.340 424 R C -1.573 174.713 176.300 -0.024 0.000 1.043 424 R CA -0.156 55.941 56.100 -0.005 0.000 0.883 424 R CB 0.319 30.645 30.300 0.044 0.000 1.078 424 R HN 0.448 nan 8.270 nan 0.000 0.462 425 V N 5.894 125.723 119.914 -0.142 0.000 2.495 425 V HA 0.408 4.552 4.120 0.040 0.000 0.298 425 V C -1.072 174.836 176.094 -0.309 0.000 1.031 425 V CA -0.775 61.463 62.300 -0.104 0.000 0.871 425 V CB 1.474 33.299 31.823 0.004 0.000 0.988 425 V HN 0.646 nan 8.190 nan 0.000 0.432 426 Y N 2.173 122.438 120.300 -0.060 0.000 2.393 426 Y HA 0.813 5.386 4.550 0.039 0.000 0.341 426 Y C 0.330 176.294 175.900 0.107 0.000 0.988 426 Y CA -0.565 57.483 58.100 -0.086 0.000 1.078 426 Y CB 2.231 40.284 38.460 -0.677 0.000 1.203 426 Y HN 0.769 nan 8.280 nan 0.000 0.453 427 A N 2.781 125.969 122.820 0.614 0.000 2.454 427 A HA 0.875 5.219 4.320 0.040 0.000 0.302 427 A C -1.928 176.070 177.584 0.691 0.000 1.079 427 A CA -0.738 51.563 52.037 0.440 0.000 0.731 427 A CB 1.175 20.237 19.000 0.104 0.000 1.299 427 A HN 0.759 nan 8.150 nan 0.000 0.413 428 Y N -0.683 119.860 120.300 0.405 0.000 2.588 428 Y HA 0.790 5.363 4.550 0.039 0.000 0.343 428 Y C -1.171 174.900 175.900 0.286 0.000 1.065 428 Y CA -1.481 56.803 58.100 0.306 0.000 1.038 428 Y CB 1.290 39.927 38.460 0.295 0.000 1.297 428 Y HN 0.714 nan 8.280 nan 0.000 0.467 429 I N 3.534 124.391 120.570 0.478 0.000 2.433 429 I HA 0.488 4.681 4.170 0.040 0.000 0.292 429 I C -1.776 174.667 176.117 0.544 0.000 1.001 429 I CA -1.066 60.490 61.300 0.427 0.000 1.119 429 I CB 1.117 39.313 38.000 0.326 0.000 1.289 429 I HN 0.746 nan 8.210 nan 0.000 0.438 430 F N 7.285 127.508 119.950 0.455 0.000 2.385 430 F HA 0.410 4.962 4.527 0.040 0.000 0.360 430 F C 0.499 176.455 175.800 0.260 0.000 1.122 430 F CA -0.004 58.219 58.000 0.371 0.000 1.090 430 F CB 0.916 40.158 39.000 0.403 0.000 1.150 430 F HN 0.550 nan 8.300 nan 0.000 0.472 431 E N 3.065 123.148 120.200 -0.195 0.000 2.630 431 E HA -0.017 4.357 4.350 0.040 0.000 0.218 431 E C -0.764 175.714 176.600 -0.204 0.000 0.977 431 E CA -0.173 56.174 56.400 -0.089 0.000 1.038 431 E CB 0.308 29.983 29.700 -0.042 0.000 1.051 431 E HN 0.528 nan 8.360 nan 0.000 0.487 432 H N 1.594 120.294 119.070 -0.617 0.000 2.562 432 H HA 0.238 4.818 4.556 0.039 0.000 0.314 432 H C -0.445 174.827 175.328 -0.094 0.000 1.079 432 H CA -0.405 55.358 56.048 -0.476 0.000 1.349 432 H CB 0.561 29.836 29.762 -0.810 0.000 1.432 432 H HN -0.158 nan 8.280 nan 0.000 0.479 433 R N 4.203 124.342 120.500 -0.602 0.000 2.202 433 R HA 0.476 4.840 4.340 0.040 0.000 0.334 433 R C -0.558 175.479 176.300 -0.439 0.000 1.036 433 R CA -0.664 55.254 56.100 -0.304 0.000 0.878 433 R CB 0.333 30.543 30.300 -0.151 0.000 1.067 433 R HN 0.839 nan 8.270 nan 0.000 0.457 434 A N 3.100 125.961 122.820 0.067 0.000 2.567 434 A HA -0.029 4.315 4.320 0.040 0.000 0.240 434 A C 1.402 179.089 177.584 0.172 0.000 1.053 434 A CA 0.628 52.906 52.037 0.401 0.000 0.755 434 A CB 0.261 19.629 19.000 0.614 0.000 0.978 434 A HN 1.027 nan 8.150 nan 0.000 0.507 435 S N 1.704 117.543 115.700 0.232 0.000 2.419 435 S HA -0.181 4.312 4.470 0.040 0.000 0.235 435 S C 1.345 175.948 174.600 0.003 0.000 1.019 435 S CA 1.755 60.016 58.200 0.102 0.000 0.982 435 S CB -0.849 62.434 63.200 0.138 0.000 0.789 435 S HN 1.332 nan 8.310 nan 0.000 0.490 436 T N -0.965 113.557 114.554 -0.054 0.000 3.188 436 T HA 0.404 4.777 4.350 0.040 0.000 0.250 436 T C 0.248 174.883 174.700 -0.108 0.000 1.077 436 T CA -0.581 61.421 62.100 -0.163 0.000 0.967 436 T CB -0.484 68.142 68.868 -0.403 0.000 1.006 436 T HN 0.243 nan 8.240 nan 0.000 0.552 437 L N 3.714 124.917 121.223 -0.033 0.000 2.455 437 L HA 0.291 4.655 4.340 0.040 0.000 0.272 437 L C 1.594 178.424 176.870 -0.067 0.000 1.174 437 L CA 0.701 55.518 54.840 -0.039 0.000 0.869 437 L CB 0.950 42.998 42.059 -0.018 0.000 1.130 437 L HN 0.425 nan 8.230 nan 0.000 0.474 438 T N -0.590 113.885 114.554 -0.131 0.000 3.040 438 T HA 0.115 4.488 4.350 0.040 0.000 0.250 438 T C 0.352 175.054 174.700 0.004 0.000 1.058 438 T CA -0.462 61.558 62.100 -0.133 0.000 0.988 438 T CB -0.283 68.382 68.868 -0.339 0.000 0.993 438 T HN 0.408 nan 8.240 nan 0.000 0.519 439 W N 3.438 124.755 121.300 0.028 0.000 2.126 439 W HA 0.421 5.105 4.660 0.039 0.000 0.346 439 W C -1.955 174.483 176.519 -0.136 0.000 1.279 439 W CA -2.169 55.166 57.345 -0.017 0.000 1.259 439 W CB 0.191 29.566 29.460 -0.142 0.000 1.133 439 W HN -0.016 nan 8.180 nan 0.000 0.592 440 P HA 0.021 nan 4.420 nan 0.000 0.272 440 P C 0.535 177.769 177.300 -0.111 0.000 1.240 440 P CA 0.001 63.083 63.100 -0.030 0.000 0.791 440 P CB 0.887 32.598 31.700 0.019 0.000 0.978 441 L N 0.038 121.256 121.223 -0.008 0.000 2.079 441 L HA -0.137 4.227 4.340 0.040 0.000 0.210 441 L C 2.655 179.541 176.870 0.026 0.000 1.081 441 L CA 1.475 56.321 54.840 0.011 0.000 0.752 441 L CB -0.950 41.143 42.059 0.058 0.000 0.896 441 L HN 0.606 nan 8.230 nan 0.000 0.433 442 W N -0.123 121.209 121.300 0.055 0.000 2.364 442 W HA -0.189 4.494 4.660 0.038 0.000 0.281 442 W C 1.764 178.331 176.519 0.081 0.000 1.219 442 W CA 0.661 58.042 57.345 0.059 0.000 1.220 442 W CB -0.829 28.664 29.460 0.056 0.000 1.127 442 W HN 0.190 nan 8.180 nan 0.000 0.556 443 M N 1.294 120.471 119.600 -0.706 0.000 2.557 443 M HA 0.105 4.609 4.480 0.040 0.000 0.259 443 M C 1.835 178.009 176.300 -0.210 0.000 1.086 443 M CA 1.592 56.473 55.300 -0.699 0.000 1.096 443 M CB -0.670 31.377 32.600 -0.923 0.000 1.424 443 M HN 0.222 nan 8.290 nan 0.000 0.488 444 G N 0.566 109.307 108.800 -0.099 0.000 2.565 444 G HA2 -0.289 3.695 3.960 0.040 0.000 0.295 444 G HA3 -0.289 3.695 3.960 0.040 0.000 0.295 444 G C -0.126 174.780 174.900 0.010 0.000 1.165 444 G CA -0.123 44.976 45.100 -0.002 0.000 0.977 444 G HN 0.235 nan 8.290 nan 0.000 0.546 445 V N 3.660 123.624 119.914 0.083 0.000 2.259 445 V HA 0.481 4.625 4.120 0.040 0.000 0.267 445 V C -1.852 174.370 176.094 0.213 0.000 1.051 445 V CA -0.798 61.605 62.300 0.171 0.000 0.830 445 V CB 1.148 33.120 31.823 0.249 0.000 1.080 445 V HN 0.532 nan 8.190 nan 0.000 0.467 446 P HA 0.195 nan 4.420 nan 0.000 0.276 446 P C -0.236 177.285 177.300 0.369 0.000 1.252 446 P CA -0.591 62.639 63.100 0.218 0.000 0.802 446 P CB 0.385 32.112 31.700 0.045 0.000 1.035 447 H N 0.522 119.675 119.070 0.139 0.000 3.216 447 H HA 0.221 4.801 4.556 0.039 0.000 0.283 447 H C 1.528 176.750 175.328 -0.177 0.000 0.921 447 H CA 2.419 58.472 56.048 0.008 0.000 1.419 447 H CB -0.946 28.785 29.762 -0.052 0.000 1.460 447 H HN 0.732 nan 8.280 nan 0.000 0.553 448 G N 3.567 112.151 108.800 -0.361 0.000 2.238 448 G HA2 -0.289 3.695 3.960 0.040 0.000 0.217 448 G HA3 -0.289 3.695 3.960 0.040 0.000 0.217 448 G C 0.575 175.300 174.900 -0.292 0.000 0.996 448 G CA 0.210 45.018 45.100 -0.488 0.000 0.632 448 G HN 0.611 nan 8.290 nan 0.000 0.503 449 Y N 1.806 122.192 120.300 0.143 0.000 2.470 449 Y HA 0.238 4.812 4.550 0.040 0.000 0.284 449 Y C 2.342 178.381 175.900 0.232 0.000 1.188 449 Y CA 0.917 59.175 58.100 0.264 0.000 1.269 449 Y CB 0.409 39.063 38.460 0.324 0.000 1.094 449 Y HN 0.491 nan 8.280 nan 0.000 0.518 450 E N 0.327 120.492 120.200 -0.058 0.000 2.318 450 E HA -0.076 4.298 4.350 0.040 0.000 0.193 450 E C 1.628 178.119 176.600 -0.182 0.000 0.998 450 E CA 0.747 56.782 56.400 -0.609 0.000 0.859 450 E CB -0.386 28.575 29.700 -1.232 0.000 0.812 450 E HN 0.541 nan 8.360 nan 0.000 0.492 451 I N 2.828 123.375 120.570 -0.039 0.000 2.163 451 I HA -0.298 3.896 4.170 0.040 0.000 0.243 451 I C 2.731 178.854 176.117 0.010 0.000 1.085 451 I CA 2.052 63.373 61.300 0.035 0.000 1.347 451 I CB -0.503 37.590 38.000 0.154 0.000 1.044 451 I HN 0.214 nan 8.210 nan 0.000 0.408 452 E N 1.111 121.271 120.200 -0.068 0.000 2.209 452 E HA -0.249 4.125 4.350 0.040 0.000 0.196 452 E C 2.006 178.365 176.600 -0.401 0.000 0.993 452 E CA 1.580 57.833 56.400 -0.245 0.000 0.819 452 E CB -0.535 28.994 29.700 -0.284 0.000 0.745 452 E HN 0.458 nan 8.360 nan 0.000 0.477 453 F N 1.069 120.911 119.950 -0.181 0.000 2.187 453 F HA -0.010 4.542 4.527 0.040 0.000 0.295 453 F C 2.314 177.883 175.800 -0.386 0.000 1.091 453 F CA 0.402 58.234 58.000 -0.279 0.000 1.308 453 F CB -0.117 38.791 39.000 -0.153 0.000 1.030 453 F HN -0.030 nan 8.300 nan 0.000 0.487 454 I N -0.640 119.769 120.570 -0.268 0.000 2.226 454 I HA -0.279 3.915 4.170 0.040 0.000 0.245 454 I C 2.179 178.050 176.117 -0.410 0.000 1.100 454 I CA 1.611 62.589 61.300 -0.538 0.000 1.374 454 I CB -1.514 36.023 38.000 -0.773 0.000 1.057 454 I HN 0.079 nan 8.210 nan 0.000 0.413 455 F N 0.928 120.698 119.950 -0.299 0.000 2.558 455 F HA 0.155 4.705 4.527 0.039 0.000 0.298 455 F C 1.888 177.563 175.800 -0.208 0.000 1.119 455 F CA 1.036 58.907 58.000 -0.216 0.000 1.451 455 F CB -0.299 38.559 39.000 -0.235 0.000 1.091 455 F HN 0.303 nan 8.300 nan 0.000 0.563 456 G N -0.072 108.586 108.800 -0.237 0.000 2.142 456 G HA2 -0.260 3.724 3.960 0.040 0.000 0.225 456 G HA3 -0.260 3.724 3.960 0.040 0.000 0.225 456 G C 0.831 175.145 174.900 -0.978 0.000 1.015 456 G CA 0.183 45.011 45.100 -0.452 0.000 0.716 456 G HN 0.262 nan 8.290 nan 0.000 0.508 457 L N 0.294 120.996 121.223 -0.868 0.000 2.083 457 L HA 0.064 4.427 4.340 0.040 0.000 0.209 457 L C 0.380 176.748 176.870 -0.837 0.000 1.083 457 L CA 2.596 56.877 54.840 -0.932 0.000 0.752 457 L CB -0.895 40.878 42.059 -0.477 0.000 0.899 457 L HN 0.203 nan 8.230 nan 0.000 0.433 458 P HA -0.151 nan 4.420 nan 0.000 0.226 458 P C 1.495 178.569 177.300 -0.376 0.000 1.146 458 P CA 0.905 63.503 63.100 -0.837 0.000 0.773 458 P CB 0.029 31.199 31.700 -0.884 0.000 0.772 459 L N -1.348 119.598 121.223 -0.463 0.000 2.465 459 L HA -0.007 4.356 4.340 0.040 0.000 0.224 459 L C 0.902 177.693 176.870 -0.131 0.000 1.145 459 L CA 1.098 55.780 54.840 -0.263 0.000 0.834 459 L CB -1.060 40.854 42.059 -0.242 0.000 0.944 459 L HN -0.063 nan 8.230 nan 0.000 0.451 460 D N -0.249 120.048 120.400 -0.172 0.000 2.339 460 D HA 0.122 4.786 4.640 0.040 0.000 0.241 460 D C -1.651 174.668 176.300 0.033 0.000 1.183 460 D CA -2.088 51.928 54.000 0.026 0.000 0.859 460 D CB 1.623 42.478 40.800 0.093 0.000 1.067 460 D HN -0.047 nan 8.370 nan 0.000 0.484 461 P HA -0.109 nan 4.420 nan 0.000 0.222 461 P C 1.269 178.586 177.300 0.029 0.000 1.147 461 P CA 0.753 63.875 63.100 0.036 0.000 0.790 461 P CB 0.114 31.830 31.700 0.028 0.000 0.780 462 S N -0.790 114.926 115.700 0.026 0.000 2.474 462 S HA -0.064 4.429 4.470 0.040 0.000 0.235 462 S C 1.662 176.255 174.600 -0.011 0.000 0.997 462 S CA 0.839 59.043 58.200 0.007 0.000 0.949 462 S CB -1.393 61.811 63.200 0.007 0.000 0.766 462 S HN 0.131 nan 8.310 nan 0.000 0.517 463 L N 0.646 121.874 121.223 0.009 0.000 2.567 463 L HA 0.218 4.582 4.340 0.040 0.000 0.225 463 L C 0.138 176.932 176.870 -0.127 0.000 1.119 463 L CA -0.068 54.751 54.840 -0.035 0.000 0.871 463 L CB -0.690 41.413 42.059 0.073 0.000 1.036 463 L HN 0.235 nan 8.230 nan 0.000 0.459 464 N N -1.142 117.531 118.700 -0.044 0.000 2.780 464 N HA -0.214 4.550 4.740 0.040 0.000 0.248 464 N C -0.545 174.909 175.510 -0.093 0.000 1.102 464 N CA 0.775 53.784 53.050 -0.068 0.000 0.697 464 N CB -1.828 36.594 38.487 -0.108 0.000 1.028 464 N HN 0.313 nan 8.380 nan 0.000 0.554 465 Y N 0.825 121.114 120.300 -0.020 0.000 2.298 465 Y HA 0.238 4.811 4.550 0.039 0.000 0.329 465 Y C 1.970 177.895 175.900 0.041 0.000 1.293 465 Y CA 0.064 58.179 58.100 0.025 0.000 1.388 465 Y CB 0.503 38.972 38.460 0.014 0.000 1.309 465 Y HN 0.092 nan 8.280 nan 0.000 0.544 466 T N -2.905 111.802 114.554 0.255 0.000 2.766 466 T HA 0.034 4.407 4.350 0.040 0.000 0.295 466 T C 1.117 175.895 174.700 0.130 0.000 1.024 466 T CA -0.293 61.900 62.100 0.155 0.000 1.018 466 T CB 0.828 69.779 68.868 0.138 0.000 1.002 466 T HN 0.722 nan 8.240 nan 0.000 0.532 467 T N 1.215 115.817 114.554 0.079 0.000 2.746 467 T HA -0.086 4.287 4.350 0.040 0.000 0.267 467 T C 1.819 176.550 174.700 0.051 0.000 1.039 467 T CA 1.887 64.019 62.100 0.054 0.000 1.142 467 T CB -0.444 68.444 68.868 0.035 0.000 0.866 467 T HN 0.775 nan 8.240 nan 0.000 0.444 468 E N 1.216 121.445 120.200 0.048 0.000 2.077 468 E HA -0.106 4.268 4.350 0.040 0.000 0.193 468 E C 2.229 178.854 176.600 0.041 0.000 0.989 468 E CA 1.052 57.463 56.400 0.018 0.000 0.800 468 E CB -0.176 29.515 29.700 -0.015 0.000 0.746 468 E HN 0.562 nan 8.360 nan 0.000 0.452 469 E N 0.226 120.491 120.200 0.108 0.000 2.153 469 E HA -0.153 4.221 4.350 0.040 0.000 0.194 469 E C 2.114 178.834 176.600 0.200 0.000 0.988 469 E CA 0.480 57.022 56.400 0.237 0.000 0.811 469 E CB 0.012 29.986 29.700 0.458 0.000 0.746 469 E HN 0.049 nan 8.360 nan 0.000 0.466 470 R N 1.005 121.559 120.500 0.089 0.000 2.073 470 R HA -0.086 4.278 4.340 0.040 0.000 0.229 470 R C 2.165 178.466 176.300 0.002 0.000 1.120 470 R CA 0.899 56.998 56.100 -0.002 0.000 0.967 470 R CB -0.254 30.040 30.300 -0.010 0.000 0.862 470 R HN 0.198 nan 8.270 nan 0.000 0.436 471 I N 0.494 121.084 120.570 0.034 0.000 2.226 471 I HA -0.283 3.911 4.170 0.040 0.000 0.245 471 I C 2.256 178.408 176.117 0.058 0.000 1.100 471 I CA 1.044 62.361 61.300 0.028 0.000 1.374 471 I CB -0.366 37.651 38.000 0.028 0.000 1.057 471 I HN 0.103 nan 8.210 nan 0.000 0.413 472 F N 1.885 121.783 119.950 -0.087 0.000 2.102 472 F HA -0.205 4.347 4.527 0.041 0.000 0.298 472 F C 2.455 178.218 175.800 -0.062 0.000 1.105 472 F CA 1.241 59.173 58.000 -0.113 0.000 1.239 472 F CB -0.698 38.166 39.000 -0.226 0.000 0.991 472 F HN 0.016 nan 8.300 nan 0.000 0.474 473 A N 0.201 122.945 122.820 -0.127 0.000 1.883 473 A HA -0.276 4.068 4.320 0.040 0.000 0.217 473 A C 2.173 179.616 177.584 -0.234 0.000 1.186 473 A CA 2.028 53.936 52.037 -0.215 0.000 0.624 473 A CB -1.021 17.882 19.000 -0.162 0.000 0.822 473 A HN 0.614 nan 8.150 nan 0.000 0.444 474 Q N -0.865 118.840 119.800 -0.158 0.000 2.096 474 Q HA -0.206 4.158 4.340 0.040 0.000 0.204 474 Q C 2.398 178.287 176.000 -0.184 0.000 0.982 474 Q CA 1.642 57.362 55.803 -0.138 0.000 0.850 474 Q CB -0.226 28.461 28.738 -0.086 0.000 0.901 474 Q HN 0.623 nan 8.270 nan 0.000 0.422 475 R N 0.291 120.663 120.500 -0.212 0.000 2.096 475 R HA -0.157 4.207 4.340 0.040 0.000 0.240 475 R C 2.332 178.321 176.300 -0.518 0.000 1.139 475 R CA 1.350 57.239 56.100 -0.352 0.000 0.952 475 R CB -0.376 29.789 30.300 -0.226 0.000 0.854 475 R HN 0.263 nan 8.270 nan 0.000 0.436 476 L N -0.053 120.950 121.223 -0.368 0.000 2.056 476 L HA -0.147 4.216 4.340 0.040 0.000 0.207 476 L C 2.568 179.379 176.870 -0.099 0.000 1.078 476 L CA 1.180 55.901 54.840 -0.200 0.000 0.749 476 L CB -0.344 41.448 42.059 -0.445 0.000 0.901 476 L HN 0.233 nan 8.230 nan 0.000 0.433 477 M N -0.603 118.881 119.600 -0.193 0.000 2.144 477 M HA -0.235 4.268 4.480 0.040 0.000 0.260 477 M C 2.328 178.621 176.300 -0.011 0.000 1.067 477 M CA 1.671 56.899 55.300 -0.121 0.000 1.095 477 M CB -0.357 32.162 32.600 -0.136 0.000 1.365 477 M HN 0.102 nan 8.290 nan 0.000 0.406 478 K N -0.337 120.023 120.400 -0.067 0.000 2.057 478 K HA -0.131 4.213 4.320 0.040 0.000 0.206 478 K C 1.896 178.551 176.600 0.092 0.000 1.050 478 K CA 1.531 57.794 56.287 -0.041 0.000 0.935 478 K CB -0.275 32.138 32.500 -0.145 0.000 0.715 478 K HN 0.315 nan 8.250 nan 0.000 0.439 479 Y N -0.174 120.253 120.300 0.212 0.000 2.145 479 Y HA -0.228 4.345 4.550 0.039 0.000 0.286 479 Y C 2.397 178.422 175.900 0.207 0.000 1.145 479 Y CA 0.757 59.013 58.100 0.260 0.000 1.148 479 Y CB -0.838 37.923 38.460 0.502 0.000 0.981 479 Y HN 0.214 nan 8.280 nan 0.000 0.507 480 W N 0.592 121.961 121.300 0.115 0.000 2.355 480 W HA -0.225 4.458 4.660 0.039 0.000 0.309 480 W C 2.480 178.995 176.519 -0.006 0.000 1.206 480 W CA 2.275 59.624 57.345 0.006 0.000 1.284 480 W CB -0.631 28.758 29.460 -0.118 0.000 1.145 480 W HN 0.240 nan 8.180 nan 0.000 0.502 481 T N -2.278 112.378 114.554 0.170 0.000 2.942 481 T HA -0.123 4.251 4.350 0.040 0.000 0.265 481 T C 1.463 176.186 174.700 0.039 0.000 1.062 481 T CA 1.085 63.217 62.100 0.054 0.000 1.139 481 T CB -0.604 68.276 68.868 0.019 0.000 0.883 481 T HN -0.085 nan 8.240 nan 0.000 0.468 482 N N 1.010 119.750 118.700 0.066 0.000 2.069 482 N HA -0.031 4.733 4.740 0.040 0.000 0.191 482 N C 1.405 176.911 175.510 -0.007 0.000 1.031 482 N CA 1.114 54.183 53.050 0.032 0.000 0.852 482 N CB -0.705 37.820 38.487 0.064 0.000 1.018 482 N HN 0.455 nan 8.380 nan 0.000 0.423 483 F N 1.763 121.621 119.950 -0.155 0.000 2.095 483 F HA -0.158 4.393 4.527 0.040 0.000 0.298 483 F C 2.205 177.919 175.800 -0.144 0.000 1.104 483 F CA 1.479 59.340 58.000 -0.232 0.000 1.232 483 F CB -0.507 38.270 39.000 -0.372 0.000 0.987 483 F HN 0.045 nan 8.300 nan 0.000 0.475 484 A N 0.496 123.246 122.820 -0.116 0.000 1.908 484 A HA -0.203 4.141 4.320 0.040 0.000 0.218 484 A C 2.365 179.843 177.584 -0.177 0.000 1.181 484 A CA 1.853 53.794 52.037 -0.159 0.000 0.627 484 A CB -0.715 18.252 19.000 -0.055 0.000 0.818 484 A HN 0.472 nan 8.150 nan 0.000 0.445 485 R N -1.229 119.195 120.500 -0.127 0.000 2.073 485 R HA -0.068 4.295 4.340 0.040 0.000 0.229 485 R C 2.104 178.323 176.300 -0.136 0.000 1.120 485 R CA 1.856 57.894 56.100 -0.104 0.000 0.967 485 R CB -0.239 30.025 30.300 -0.060 0.000 0.862 485 R HN 0.741 nan 8.270 nan 0.000 0.436 486 T N -5.384 109.067 114.554 -0.172 0.000 2.958 486 T HA 0.230 4.603 4.350 0.040 0.000 0.256 486 T C 1.216 175.789 174.700 -0.212 0.000 0.983 486 T CA 0.418 62.427 62.100 -0.152 0.000 0.924 486 T CB 1.270 70.082 68.868 -0.093 0.000 1.136 486 T HN 0.324 nan 8.240 nan 0.000 0.506 487 G N 1.415 109.964 108.800 -0.419 0.000 2.143 487 G HA2 -0.160 3.824 3.960 0.040 0.000 0.248 487 G HA3 -0.160 3.824 3.960 0.040 0.000 0.248 487 G C -0.361 174.446 174.900 -0.155 0.000 0.991 487 G CA 0.224 45.010 45.100 -0.524 0.000 0.689 487 G HN 0.834 nan 8.290 nan 0.000 0.522 488 D N -0.788 119.517 120.400 -0.159 0.000 2.763 488 D HA 0.426 5.090 4.640 0.040 0.000 0.235 488 D C -1.675 174.450 176.300 -0.291 0.000 1.334 488 D CA -1.541 52.311 54.000 -0.246 0.000 0.950 488 D CB 1.997 42.755 40.800 -0.072 0.000 1.433 488 D HN -0.011 nan 8.370 nan 0.000 0.580 489 P HA 0.003 nan 4.420 nan 0.000 0.241 489 P C 0.031 177.330 177.300 -0.002 0.000 1.191 489 P CA -0.005 62.912 63.100 -0.305 0.000 0.771 489 P CB 0.355 31.592 31.700 -0.772 0.000 0.929 490 N N 1.445 120.113 118.700 -0.053 0.000 2.482 490 N HA 0.020 4.784 4.740 0.040 0.000 0.260 490 N C -0.024 175.557 175.510 0.118 0.000 1.236 490 N CA 0.291 53.416 53.050 0.124 0.000 0.938 490 N CB 0.410 38.958 38.487 0.102 0.000 1.128 490 N HN -0.041 nan 8.380 nan 0.000 0.448 491 D N 1.689 122.178 120.400 0.148 0.000 2.352 491 D HA 0.128 4.792 4.640 0.040 0.000 0.245 491 D C -1.351 174.990 176.300 0.069 0.000 1.224 491 D CA -1.801 52.255 54.000 0.094 0.000 0.879 491 D CB 1.002 41.855 40.800 0.088 0.000 1.057 491 D HN 0.305 nan 8.370 nan 0.000 0.491 492 P HA -0.068 nan 4.420 nan 0.000 0.224 492 P C 1.215 178.535 177.300 0.033 0.000 1.157 492 P CA 0.624 63.747 63.100 0.038 0.000 0.799 492 P CB 0.348 32.062 31.700 0.024 0.000 0.809 493 R N 0.460 120.978 120.500 0.030 0.000 2.193 493 R HA -0.004 4.360 4.340 0.040 0.000 0.213 493 R C 0.852 177.171 176.300 0.031 0.000 1.055 493 R CA 1.077 57.193 56.100 0.026 0.000 0.995 493 R CB -1.691 28.621 30.300 0.020 0.000 0.893 493 R HN 0.229 nan 8.270 nan 0.000 0.459 494 D N -0.039 120.384 120.400 0.039 0.000 2.316 494 D HA 0.229 4.893 4.640 0.040 0.000 0.245 494 D C -0.060 176.271 176.300 0.051 0.000 1.171 494 D CA 0.185 54.211 54.000 0.044 0.000 0.856 494 D CB 1.340 42.171 40.800 0.051 0.000 1.090 494 D HN 0.318 nan 8.370 nan 0.000 0.476 495 S N 3.520 119.247 115.700 0.045 0.000 2.652 495 S HA 0.354 4.847 4.470 0.040 0.000 0.267 495 S C -0.575 174.056 174.600 0.051 0.000 1.201 495 S CA -0.559 57.669 58.200 0.048 0.000 0.996 495 S CB 0.311 63.534 63.200 0.039 0.000 1.054 495 S HN 0.605 nan 8.310 nan 0.000 0.561 496 K N 0.583 121.013 120.400 0.051 0.000 6.744 496 K HA -0.123 4.221 4.320 0.040 0.000 0.720 496 K C -0.350 176.292 176.600 0.070 0.000 2.325 496 K CA 0.802 57.120 56.287 0.053 0.000 1.691 496 K CB -1.265 31.261 32.500 0.043 0.000 1.863 496 K HN 0.677 nan 8.250 nan 0.000 0.302 497 S N 3.725 119.472 115.700 0.079 0.000 3.152 497 S HA 0.412 4.906 4.470 0.040 0.000 0.173 497 S C -2.397 172.262 174.600 0.098 0.000 0.751 497 S CA -0.136 58.128 58.200 0.107 0.000 0.933 497 S CB 0.027 63.302 63.200 0.124 0.000 0.877 497 S HN 0.630 nan 8.310 nan 0.000 0.766 498 P HA 0.232 nan 4.420 nan 0.000 0.272 498 P C -0.741 176.631 177.300 0.121 0.000 1.223 498 P CA -0.071 63.078 63.100 0.082 0.000 0.784 498 P CB 0.247 31.979 31.700 0.052 0.000 0.923 499 Q N 0.529 120.408 119.800 0.132 0.000 2.373 499 Q HA 0.067 4.431 4.340 0.040 0.000 0.255 499 Q C -0.541 175.611 176.000 0.254 0.000 0.980 499 Q CA 0.137 56.053 55.803 0.188 0.000 0.882 499 Q CB 0.634 29.471 28.738 0.166 0.000 1.249 499 Q HN 0.539 nan 8.270 nan 0.000 0.438 500 W N 6.523 127.873 121.300 0.083 0.000 2.416 500 W HA 0.253 4.938 4.660 0.042 0.000 0.318 500 W C -2.379 174.274 176.519 0.222 0.000 1.150 500 W CA -2.477 54.929 57.345 0.102 0.000 1.392 500 W CB 0.184 29.644 29.460 0.000 0.000 1.311 500 W HN 0.381 nan 8.180 nan 0.000 0.436 501 P HA 0.271 nan 4.420 nan 0.000 0.281 501 P C -2.619 174.882 177.300 0.335 0.000 1.249 501 P CA -1.771 61.550 63.100 0.367 0.000 0.810 501 P CB 0.714 32.545 31.700 0.219 0.000 1.008 502 P HA 0.052 nan 4.420 nan 0.000 0.268 502 P C -0.549 176.739 177.300 -0.021 0.000 1.205 502 P CA 0.180 63.093 63.100 -0.313 0.000 0.771 502 P CB 0.013 31.496 31.700 -0.362 0.000 0.858 503 Y N 3.037 123.282 120.300 -0.092 0.000 2.442 503 Y HA 0.326 4.899 4.550 0.039 0.000 0.330 503 Y C 0.483 176.372 175.900 -0.018 0.000 1.129 503 Y CA 0.801 58.914 58.100 0.021 0.000 1.365 503 Y CB 0.322 38.813 38.460 0.052 0.000 1.233 503 Y HN 0.420 nan 8.280 nan 0.000 0.529 504 T N 0.110 114.390 114.554 -0.456 0.000 2.896 504 T HA 0.242 4.616 4.350 0.040 0.000 0.297 504 T C 0.791 175.251 174.700 -0.399 0.000 1.108 504 T CA -0.228 61.714 62.100 -0.264 0.000 1.004 504 T CB 1.262 70.044 68.868 -0.142 0.000 1.159 504 T HN 0.644 nan 8.240 nan 0.000 0.499 505 T N -0.836 113.634 114.554 -0.140 0.000 2.904 505 T HA 0.063 4.436 4.350 0.040 0.000 0.267 505 T C 2.226 176.876 174.700 -0.083 0.000 1.059 505 T CA 0.954 63.011 62.100 -0.072 0.000 1.137 505 T CB -0.766 68.115 68.868 0.023 0.000 0.879 505 T HN 0.866 nan 8.240 nan 0.000 0.467 506 A N 1.979 124.752 122.820 -0.078 0.000 1.832 506 A HA 0.443 4.786 4.320 0.040 0.000 0.214 506 A C 2.739 180.280 177.584 -0.071 0.000 1.200 506 A CA 1.804 53.809 52.037 -0.052 0.000 0.610 506 A CB -1.329 17.649 19.000 -0.036 0.000 0.842 506 A HN 0.759 nan 8.150 nan 0.000 0.444 507 A N -2.496 120.258 122.820 -0.110 0.000 2.044 507 A HA 0.246 4.590 4.320 0.040 0.000 0.213 507 A C 1.024 178.531 177.584 -0.128 0.000 1.169 507 A CA 0.960 52.944 52.037 -0.089 0.000 0.724 507 A CB -0.250 18.711 19.000 -0.065 0.000 0.840 507 A HN 0.579 nan 8.150 nan 0.000 0.463 508 Q N -0.556 119.047 119.800 -0.329 0.000 2.475 508 Q HA -0.218 4.146 4.340 0.040 0.000 0.280 508 Q C -0.701 175.266 176.000 -0.055 0.000 1.234 508 Q CA 0.676 56.196 55.803 -0.472 0.000 0.873 508 Q CB -1.823 26.852 28.738 -0.104 0.000 1.256 508 Q HN 0.839 nan 8.270 nan 0.000 0.475 509 Q N 0.413 120.186 119.800 -0.046 0.000 2.288 509 Q HA 0.461 4.824 4.340 0.040 0.000 0.254 509 Q C -0.393 175.872 176.000 0.441 0.000 0.932 509 Q CA 0.010 55.909 55.803 0.159 0.000 0.902 509 Q CB 0.556 29.344 28.738 0.084 0.000 1.203 509 Q HN 0.330 nan 8.270 nan 0.000 0.415 510 Y N -1.306 119.135 120.300 0.234 0.000 2.677 510 Y HA 0.753 5.325 4.550 0.038 0.000 0.334 510 Y C -1.056 174.871 175.900 0.045 0.000 1.154 510 Y CA -1.581 56.667 58.100 0.246 0.000 1.070 510 Y CB 0.542 39.150 38.460 0.247 0.000 1.294 510 Y HN 0.333 nan 8.280 nan 0.000 0.475 511 V N -0.511 119.353 119.914 -0.083 0.000 2.769 511 V HA 0.814 4.958 4.120 0.040 0.000 0.312 511 V C -0.298 175.723 176.094 -0.122 0.000 1.061 511 V CA -0.649 61.440 62.300 -0.351 0.000 0.931 511 V CB 1.293 32.611 31.823 -0.841 0.000 1.010 511 V HN 1.167 nan 8.190 nan 0.000 0.433 512 S N 4.237 119.864 115.700 -0.121 0.000 2.499 512 S HA 0.660 5.154 4.470 0.040 0.000 0.275 512 S C -0.385 174.193 174.600 -0.038 0.000 1.257 512 S CA -0.620 57.576 58.200 -0.007 0.000 1.050 512 S CB 0.431 63.616 63.200 -0.026 0.000 0.937 512 S HN 0.759 nan 8.310 nan 0.000 0.490 513 L N 4.306 125.564 121.223 0.058 0.000 2.272 513 L HA 0.483 4.847 4.340 0.040 0.000 0.284 513 L C -0.154 176.682 176.870 -0.057 0.000 1.045 513 L CA -0.435 54.479 54.840 0.124 0.000 0.842 513 L CB -0.178 42.059 42.059 0.297 0.000 1.224 513 L HN 0.904 nan 8.230 nan 0.000 0.430 514 N N 2.102 120.683 118.700 -0.199 0.000 3.439 514 N HA 0.357 5.121 4.740 0.040 0.000 0.313 514 N C 0.283 175.243 175.510 -0.917 0.000 1.598 514 N CA -0.973 51.678 53.050 -0.666 0.000 0.830 514 N CB 0.638 38.902 38.487 -0.371 0.000 1.849 514 N HN 0.160 nan 8.380 nan 0.000 0.598 515 L N -0.793 119.907 121.223 -0.871 0.000 2.201 515 L HA 0.053 4.417 4.340 0.040 0.000 0.212 515 L C 0.627 177.317 176.870 -0.300 0.000 1.105 515 L CA 1.009 55.451 54.840 -0.663 0.000 0.775 515 L CB -0.502 41.269 42.059 -0.480 0.000 0.913 515 L HN 0.404 nan 8.230 nan 0.000 0.440 516 K N 0.294 120.561 120.400 -0.223 0.000 2.138 516 K HA 0.234 4.578 4.320 0.040 0.000 0.251 516 K C -2.146 174.417 176.600 -0.061 0.000 1.015 516 K CA -1.863 54.357 56.287 -0.113 0.000 0.917 516 K CB -0.097 32.348 32.500 -0.092 0.000 1.021 516 K HN -0.186 nan 8.250 nan 0.000 0.485 517 P HA -0.025 nan 4.420 nan 0.000 0.268 517 P C -0.346 176.959 177.300 0.007 0.000 1.208 517 P CA -0.061 63.051 63.100 0.020 0.000 0.777 517 P CB 0.355 32.067 31.700 0.020 0.000 0.875 518 L N 1.448 122.691 121.223 0.033 0.000 2.615 518 L HA -0.072 4.292 4.340 0.040 0.000 0.284 518 L C 1.141 177.975 176.870 -0.060 0.000 1.237 518 L CA 0.876 55.692 54.840 -0.039 0.000 0.905 518 L CB -0.250 41.773 42.059 -0.060 0.000 1.149 518 L HN 0.509 nan 8.230 nan 0.000 0.499 519 E N 3.081 123.220 120.200 -0.102 0.000 2.210 519 E HA 0.411 4.785 4.350 0.040 0.000 0.266 519 E C -1.392 175.113 176.600 -0.158 0.000 0.883 519 E CA -0.807 55.533 56.400 -0.100 0.000 0.761 519 E CB 1.952 31.601 29.700 -0.085 0.000 1.156 519 E HN 0.301 nan 8.360 nan 0.000 0.412 520 V N 5.092 124.925 119.914 -0.134 0.000 2.461 520 V HA 0.401 4.544 4.120 0.040 0.000 0.275 520 V C 0.296 176.254 176.094 -0.228 0.000 1.047 520 V CA -0.242 61.956 62.300 -0.170 0.000 0.955 520 V CB 0.897 32.677 31.823 -0.072 0.000 0.988 520 V HN 0.691 nan 8.190 nan 0.000 0.471 521 R N 3.930 124.167 120.500 -0.437 0.000 2.919 521 R HA 0.761 5.124 4.340 0.040 0.000 0.260 521 R C -0.831 175.247 176.300 -0.369 0.000 1.067 521 R CA -1.059 54.759 56.100 -0.470 0.000 1.003 521 R CB 2.318 32.189 30.300 -0.715 0.000 1.192 521 R HN 0.568 nan 8.270 nan 0.000 0.488 522 R N -0.029 120.427 120.500 -0.073 0.000 2.534 522 R HA 0.473 4.837 4.340 0.040 0.000 0.301 522 R C -0.825 175.655 176.300 0.300 0.000 0.961 522 R CA -0.437 55.735 56.100 0.120 0.000 0.871 522 R CB 2.198 32.530 30.300 0.054 0.000 1.170 522 R HN 0.905 nan 8.270 nan 0.000 0.446 523 G N 2.980 112.018 108.800 0.396 0.000 3.421 523 G HA2 -0.217 3.767 3.960 0.040 0.000 0.656 523 G HA3 -0.217 3.767 3.960 0.040 0.000 0.656 523 G C -0.615 174.473 174.900 0.314 0.000 1.007 523 G CA -0.909 44.378 45.100 0.311 0.000 0.811 523 G HN 0.500 nan 8.290 nan 0.000 0.433 524 L N 4.056 125.349 121.223 0.118 0.000 2.363 524 L HA 0.321 4.685 4.340 0.040 0.000 0.286 524 L C 1.465 178.356 176.870 0.035 0.000 1.106 524 L CA -0.858 53.904 54.840 -0.130 0.000 0.859 524 L CB 0.365 42.273 42.059 -0.252 0.000 1.223 524 L HN 0.706 nan 8.230 nan 0.000 0.446 525 R N 2.147 122.702 120.500 0.091 0.000 3.225 525 R HA -0.266 4.098 4.340 0.040 0.000 0.245 525 R C 1.175 177.572 176.300 0.161 0.000 0.928 525 R CA 0.653 56.839 56.100 0.145 0.000 0.632 525 R CB -1.867 28.530 30.300 0.162 0.000 1.038 525 R HN 0.845 nan 8.270 nan 0.000 0.461 526 A N 0.558 123.470 122.820 0.153 0.000 1.908 526 A HA -0.233 4.111 4.320 0.040 0.000 0.218 526 A C 2.068 179.745 177.584 0.155 0.000 1.181 526 A CA 1.214 53.340 52.037 0.150 0.000 0.627 526 A CB -0.071 19.011 19.000 0.137 0.000 0.818 526 A HN 0.399 nan 8.150 nan 0.000 0.445 527 Q N -0.803 119.087 119.800 0.150 0.000 2.049 527 Q HA -0.089 4.275 4.340 0.040 0.000 0.198 527 Q C 2.244 178.370 176.000 0.209 0.000 0.971 527 Q CA 2.009 57.904 55.803 0.153 0.000 0.833 527 Q CB -1.109 27.701 28.738 0.120 0.000 0.896 527 Q HN 0.632 nan 8.270 nan 0.000 0.434 528 T N 0.574 115.275 114.554 0.246 0.000 2.821 528 T HA -0.108 4.266 4.350 0.040 0.000 0.267 528 T C 2.003 176.937 174.700 0.391 0.000 1.046 528 T CA 1.073 63.360 62.100 0.310 0.000 1.139 528 T CB -0.230 68.860 68.868 0.370 0.000 0.871 528 T HN 0.312 nan 8.240 nan 0.000 0.454 529 c N 1.591 120.397 118.600 0.343 0.000 2.432 529 c HA 0.201 4.795 4.570 0.040 0.000 0.280 529 c C 3.107 177.362 174.090 0.275 0.000 1.353 529 c CA 0.062 56.596 56.329 0.343 0.000 1.766 529 c CB -1.390 41.253 42.510 0.222 0.000 1.924 529 c HN 0.637 nan 8.230 nan 0.000 0.509 530 A N 0.210 123.164 122.820 0.223 0.000 1.933 530 A HA -0.190 4.153 4.320 0.040 0.000 0.218 530 A C 1.862 179.562 177.584 0.193 0.000 1.175 530 A CA 1.623 53.769 52.037 0.181 0.000 0.628 530 A CB -0.762 18.330 19.000 0.154 0.000 0.814 530 A HN 0.561 nan 8.150 nan 0.000 0.444 531 F N -0.775 119.187 119.950 0.021 0.000 2.075 531 F HA -0.175 4.378 4.527 0.043 0.000 0.297 531 F C 1.970 177.735 175.800 -0.059 0.000 1.113 531 F CA 1.826 59.764 58.000 -0.102 0.000 1.218 531 F CB -0.611 38.094 39.000 -0.492 0.000 0.984 531 F HN 0.367 nan 8.300 nan 0.000 0.472 532 W N 0.645 121.887 121.300 -0.096 0.000 2.381 532 W HA -0.145 4.538 4.660 0.038 0.000 0.301 532 W C 2.163 178.615 176.519 -0.112 0.000 1.205 532 W CA 1.158 58.404 57.345 -0.166 0.000 1.285 532 W CB -0.566 28.927 29.460 0.056 0.000 1.133 532 W HN -0.002 nan 8.180 nan 0.000 0.521 533 N N -0.701 118.114 118.700 0.192 0.000 2.409 533 N HA 0.047 4.810 4.740 0.040 0.000 0.174 533 N C 1.480 177.024 175.510 0.057 0.000 1.037 533 N CA 0.834 53.951 53.050 0.112 0.000 0.898 533 N CB -0.153 38.403 38.487 0.115 0.000 1.010 533 N HN 0.223 nan 8.380 nan 0.000 0.445 534 R N -1.218 119.319 120.500 0.062 0.000 2.167 534 R HA 0.231 4.595 4.340 0.040 0.000 0.195 534 R C 1.459 177.787 176.300 0.046 0.000 1.027 534 R CA 0.019 56.155 56.100 0.059 0.000 1.114 534 R CB -0.260 30.099 30.300 0.097 0.000 1.075 534 R HN 0.038 nan 8.270 nan 0.000 0.538 535 F N 1.870 121.756 119.950 -0.107 0.000 2.118 535 F HA 0.054 4.605 4.527 0.041 0.000 0.293 535 F C 1.846 177.519 175.800 -0.213 0.000 1.102 535 F CA 1.206 59.124 58.000 -0.137 0.000 1.247 535 F CB -0.268 38.666 39.000 -0.111 0.000 1.017 535 F HN -0.145 nan 8.300 nan 0.000 0.475 536 L N 0.433 121.337 121.223 -0.531 0.000 2.042 536 L HA -0.179 4.185 4.340 0.040 0.000 0.210 536 L C -0.424 176.203 176.870 -0.406 0.000 1.076 536 L CA 1.543 56.024 54.840 -0.599 0.000 0.749 536 L CB -2.090 39.651 42.059 -0.530 0.000 0.893 536 L HN 0.149 nan 8.230 nan 0.000 0.432 537 P HA -0.185 nan 4.420 nan 0.000 0.215 537 P C 1.368 178.546 177.300 -0.204 0.000 1.153 537 P CA 1.389 64.387 63.100 -0.171 0.000 0.853 537 P CB 0.020 31.663 31.700 -0.095 0.000 0.788 538 K N -0.960 119.290 120.400 -0.251 0.000 2.103 538 K HA -0.152 4.192 4.320 0.040 0.000 0.207 538 K C 1.958 178.377 176.600 -0.302 0.000 1.048 538 K CA 1.041 57.191 56.287 -0.228 0.000 0.930 538 K CB -0.861 31.533 32.500 -0.176 0.000 0.716 538 K HN 0.050 nan 8.250 nan 0.000 0.444 539 L N 1.218 122.124 121.223 -0.528 0.000 2.046 539 L HA -0.146 4.218 4.340 0.040 0.000 0.208 539 L C 1.992 178.716 176.870 -0.243 0.000 1.077 539 L CA 1.377 55.948 54.840 -0.449 0.000 0.747 539 L CB -0.566 41.114 42.059 -0.632 0.000 0.896 539 L HN 0.101 nan 8.230 nan 0.000 0.432 540 L N -0.171 120.919 121.223 -0.221 0.000 1.976 540 L HA -0.087 4.276 4.340 0.040 0.000 0.209 540 L C 1.536 178.346 176.870 -0.101 0.000 1.071 540 L CA 1.734 56.492 54.840 -0.136 0.000 0.746 540 L CB -0.848 41.141 42.059 -0.118 0.000 0.890 540 L HN 0.512 nan 8.230 nan 0.000 0.432 541 S N -0.741 114.899 115.700 -0.100 0.000 3.072 541 S HA 0.619 5.113 4.470 0.040 0.000 0.306 541 S C 0.404 174.963 174.600 -0.068 0.000 1.207 541 S CA -0.045 58.112 58.200 -0.071 0.000 1.008 541 S CB 0.409 63.572 63.200 -0.062 0.000 1.390 541 S HN 0.736 nan 8.310 nan 0.000 0.523 542 A N 2.405 125.190 122.820 -0.059 0.000 3.466 542 A HA 0.081 4.425 4.320 0.040 0.000 0.210 542 A C 0.774 178.331 177.584 -0.044 0.000 1.470 542 A CA 0.134 52.141 52.037 -0.050 0.000 1.225 542 A CB -1.087 17.875 19.000 -0.063 0.000 0.828 542 A HN 0.606 nan 8.150 nan 0.000 0.401 543 T N 0.000 114.521 114.554 -0.055 0.000 3.816 543 T HA 0.000 4.374 4.350 0.040 0.000 0.228 543 T CA 0.000 62.074 62.100 -0.043 0.000 1.349 543 T CB 0.000 68.838 68.868 -0.051 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658