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 2gyu_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 LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN 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 0.000 176.625 176.600 0.041 0.000 1.382 4 E CA 0.000 56.418 56.400 0.030 0.000 0.976 4 E CB 0.000 29.718 29.700 0.030 0.000 0.812 5 D N 6.201 126.633 120.400 0.054 0.000 2.338 5 D HA 0.164 4.834 4.640 0.051 0.000 0.255 5 D C -1.390 174.958 176.300 0.079 0.000 1.237 5 D CA -2.144 51.903 54.000 0.079 0.000 0.883 5 D CB 1.459 42.328 40.800 0.114 0.000 1.087 5 D HN 0.279 nan 8.370 nan 0.000 0.485 6 P HA -0.144 nan 4.420 nan 0.000 0.222 6 P C 1.065 178.390 177.300 0.042 0.000 1.147 6 P CA 0.706 63.830 63.100 0.040 0.000 0.790 6 P CB 0.512 32.222 31.700 0.016 0.000 0.780 7 Q N -0.384 119.436 119.800 0.034 0.000 2.224 7 Q HA 0.014 4.384 4.340 0.051 0.000 0.203 7 Q C 1.994 178.103 176.000 0.182 0.000 0.970 7 Q CA 0.957 56.766 55.803 0.011 0.000 0.865 7 Q CB -0.365 28.244 28.738 -0.215 0.000 0.922 7 Q HN 0.419 nan 8.270 nan 0.000 0.445 8 L N -0.151 121.188 121.223 0.194 0.000 2.607 8 L HA 0.214 4.585 4.340 0.051 0.000 0.228 8 L C 0.373 177.445 176.870 0.336 0.000 1.123 8 L CA -0.124 54.854 54.840 0.231 0.000 0.890 8 L CB 0.292 42.392 42.059 0.068 0.000 1.103 8 L HN -0.028 nan 8.230 nan 0.000 0.468 9 L N 0.977 122.337 121.223 0.228 0.000 2.280 9 L HA 0.485 4.856 4.340 0.051 0.000 0.287 9 L C -0.856 176.051 176.870 0.062 0.000 1.023 9 L CA -0.381 54.554 54.840 0.159 0.000 0.819 9 L CB 1.956 44.067 42.059 0.087 0.000 1.212 9 L HN -0.198 nan 8.230 nan 0.000 0.420 10 V N 3.886 123.803 119.914 0.005 0.000 2.656 10 V HA 0.471 4.622 4.120 0.051 0.000 0.307 10 V C -0.306 175.706 176.094 -0.137 0.000 1.051 10 V CA -0.803 61.352 62.300 -0.243 0.000 0.893 10 V CB 2.264 33.635 31.823 -0.753 0.000 0.999 10 V HN 0.691 nan 8.190 nan 0.000 0.426 11 R N 3.581 123.979 120.500 -0.170 0.000 2.255 11 R HA 0.745 5.116 4.340 0.051 0.000 0.326 11 R C -0.689 175.518 176.300 -0.155 0.000 0.986 11 R CA -0.320 55.715 56.100 -0.109 0.000 0.847 11 R CB 1.468 31.709 30.300 -0.100 0.000 1.111 11 R HN 0.687 nan 8.270 nan 0.000 0.452 12 V N 1.691 121.560 119.914 -0.075 0.000 3.234 12 V HA 0.479 4.630 4.120 0.051 0.000 0.317 12 V C 1.159 177.163 176.094 -0.151 0.000 1.147 12 V CA -0.956 61.293 62.300 -0.085 0.000 1.037 12 V CB 1.743 33.648 31.823 0.138 0.000 1.148 12 V HN 0.842 nan 8.190 nan 0.000 0.455 13 R N 0.687 121.081 120.500 -0.176 0.000 2.127 13 R HA -0.040 4.330 4.340 0.051 0.000 0.238 13 R C 2.021 178.164 176.300 -0.260 0.000 1.134 13 R CA 1.612 57.601 56.100 -0.185 0.000 0.975 13 R CB -0.633 29.573 30.300 -0.156 0.000 0.865 13 R HN 0.979 nan 8.270 nan 0.000 0.447 14 G N -0.426 108.157 108.800 -0.361 0.000 2.712 14 G HA2 0.266 4.256 3.960 0.051 0.000 0.212 14 G HA3 0.266 4.256 3.960 0.051 0.000 0.212 14 G C 0.483 174.443 174.900 -1.568 0.000 1.142 14 G CA 0.552 45.145 45.100 -0.844 0.000 0.789 14 G HN 0.574 nan 8.290 nan 0.000 0.535 15 G N -1.149 107.033 108.800 -1.030 0.000 2.302 15 G HA2 0.100 4.091 3.960 0.051 0.000 0.276 15 G HA3 0.100 4.091 3.960 0.051 0.000 0.276 15 G C -1.177 173.643 174.900 -0.132 0.000 1.316 15 G CA -0.887 43.752 45.100 -0.769 0.000 0.988 15 G HN 0.252 nan 8.290 nan 0.000 0.479 16 Q N -0.351 119.541 119.800 0.153 0.000 2.230 16 Q HA 0.694 5.064 4.340 0.051 0.000 0.248 16 Q C -0.548 175.752 176.000 0.500 0.000 0.915 16 Q CA -0.197 55.774 55.803 0.281 0.000 0.900 16 Q CB 1.941 30.780 28.738 0.169 0.000 1.229 16 Q HN 0.454 nan 8.270 nan 0.000 0.439 17 L N 1.359 122.785 121.223 0.339 0.000 2.370 17 L HA 0.600 4.971 4.340 0.051 0.000 0.266 17 L C -0.488 176.555 176.870 0.288 0.000 1.002 17 L CA -0.772 54.267 54.840 0.331 0.000 0.818 17 L CB 2.349 44.644 42.059 0.393 0.000 1.325 17 L HN 0.451 nan 8.230 nan 0.000 0.418 18 R N 0.725 121.371 120.500 0.243 0.000 2.393 18 R HA 0.659 5.030 4.340 0.051 0.000 0.315 18 R C -0.221 176.170 176.300 0.152 0.000 0.952 18 R CA -0.301 55.919 56.100 0.201 0.000 0.842 18 R CB 1.646 32.006 30.300 0.099 0.000 1.163 18 R HN 0.795 nan 8.270 nan 0.000 0.450 19 G N 3.317 112.157 108.800 0.066 0.000 2.606 19 G HA2 0.475 4.465 3.960 0.051 0.000 0.262 19 G HA3 0.475 4.465 3.960 0.051 0.000 0.262 19 G C -0.990 173.695 174.900 -0.359 0.000 1.394 19 G CA -0.692 44.140 45.100 -0.448 0.000 1.044 19 G HN 0.590 nan 8.290 nan 0.000 0.553 20 I N -0.939 119.357 120.570 -0.457 0.000 2.686 20 I HA 0.495 4.695 4.170 0.051 0.000 0.295 20 I C -0.226 175.740 176.117 -0.251 0.000 1.114 20 I CA -1.134 60.000 61.300 -0.278 0.000 1.038 20 I CB 2.179 40.035 38.000 -0.240 0.000 1.238 20 I HN 0.432 nan 8.210 nan 0.000 0.420 21 R N 7.880 128.275 120.500 -0.175 0.000 2.210 21 R HA 0.480 4.851 4.340 0.051 0.000 0.338 21 R C -1.593 174.600 176.300 -0.179 0.000 1.062 21 R CA -0.336 55.649 56.100 -0.192 0.000 0.902 21 R CB 0.389 30.526 30.300 -0.271 0.000 1.050 21 R HN 0.649 nan 8.270 nan 0.000 0.461 22 L N 3.539 124.677 121.223 -0.142 0.000 2.352 22 L HA 0.438 4.808 4.340 0.051 0.000 0.269 22 L C -0.009 176.791 176.870 -0.117 0.000 1.034 22 L CA -0.863 53.912 54.840 -0.108 0.000 0.806 22 L CB 1.575 43.605 42.059 -0.048 0.000 1.244 22 L HN 0.528 nan 8.230 nan 0.000 0.447 23 K N 1.545 121.880 120.400 -0.108 0.000 2.240 23 K HA 0.678 5.028 4.320 0.051 0.000 0.271 23 K C -0.914 175.614 176.600 -0.119 0.000 1.018 23 K CA -0.382 55.842 56.287 -0.104 0.000 0.874 23 K CB 1.566 34.016 32.500 -0.085 0.000 1.098 23 K HN 0.669 nan 8.250 nan 0.000 0.458 24 A N 4.999 127.749 122.820 -0.116 0.000 2.311 24 A HA 0.498 4.849 4.320 0.051 0.000 0.334 24 A C -2.055 175.512 177.584 -0.029 0.000 1.139 24 A CA -1.902 50.052 52.037 -0.139 0.000 0.830 24 A CB 0.715 19.616 19.000 -0.165 0.000 1.234 24 A HN 0.708 nan 8.150 nan 0.000 0.483 25 P HA -0.099 nan 4.420 nan 0.000 0.218 25 P C 1.492 178.815 177.300 0.038 0.000 1.148 25 P CA 1.928 65.063 63.100 0.059 0.000 0.822 25 P CB 0.183 31.949 31.700 0.110 0.000 0.784 26 G N -1.636 107.189 108.800 0.042 0.000 2.421 26 G HA2 0.308 4.298 3.960 0.051 0.000 0.217 26 G HA3 0.308 4.298 3.960 0.051 0.000 0.217 26 G C 0.719 175.631 174.900 0.020 0.000 1.143 26 G CA 0.768 45.888 45.100 0.033 0.000 0.784 26 G HN 0.608 nan 8.290 nan 0.000 0.541 27 G N -0.928 107.876 108.800 0.006 0.000 2.345 27 G HA2 0.387 4.377 3.960 0.051 0.000 0.285 27 G HA3 0.387 4.377 3.960 0.051 0.000 0.285 27 G C -3.299 171.582 174.900 -0.032 0.000 1.297 27 G CA -0.416 44.680 45.100 -0.007 0.000 0.875 27 G HN 0.080 nan 8.290 nan 0.000 0.506 28 P HA 0.509 nan 4.420 nan 0.000 0.274 28 P C -0.132 177.169 177.300 0.002 0.000 1.237 28 P CA -0.171 62.847 63.100 -0.135 0.000 0.793 28 P CB 1.640 33.091 31.700 -0.415 0.000 0.977 29 V N -1.767 118.151 119.914 0.007 0.000 3.007 29 V HA 0.609 4.759 4.120 0.051 0.000 0.311 29 V C -0.495 175.692 176.094 0.155 0.000 1.120 29 V CA -0.869 61.521 62.300 0.151 0.000 0.980 29 V CB 1.895 33.813 31.823 0.158 0.000 1.033 29 V HN 0.408 nan 8.190 nan 0.000 0.429 30 S N 2.471 118.324 115.700 0.254 0.000 2.452 30 S HA 0.802 5.303 4.470 0.051 0.000 0.284 30 S C 0.132 174.700 174.600 -0.052 0.000 1.171 30 S CA 0.091 58.356 58.200 0.110 0.000 1.064 30 S CB 0.929 64.308 63.200 0.299 0.000 0.967 30 S HN 1.526 nan 8.310 nan 0.000 0.484 31 A N 3.244 125.845 122.820 -0.365 0.000 2.318 31 A HA 0.811 5.161 4.320 0.051 0.000 0.324 31 A C -0.988 176.136 177.584 -0.766 0.000 1.170 31 A CA -0.614 51.090 52.037 -0.557 0.000 0.810 31 A CB 0.316 18.955 19.000 -0.601 0.000 1.198 31 A HN 0.699 nan 8.150 nan 0.000 0.484 32 F N 2.825 122.590 119.950 -0.307 0.000 2.434 32 F HA 0.464 5.021 4.527 0.050 0.000 0.367 32 F C -0.303 175.312 175.800 -0.308 0.000 1.093 32 F CA -0.269 57.636 58.000 -0.158 0.000 1.085 32 F CB 1.242 40.308 39.000 0.111 0.000 1.322 32 F HN 0.335 nan 8.300 nan 0.000 0.452 33 L N 1.962 123.038 121.223 -0.245 0.000 2.334 33 L HA 0.785 5.155 4.340 0.051 0.000 0.276 33 L C 0.800 177.572 176.870 -0.163 0.000 1.014 33 L CA -1.106 53.536 54.840 -0.331 0.000 0.815 33 L CB 1.853 43.518 42.059 -0.655 0.000 1.268 33 L HN 0.782 nan 8.230 nan 0.000 0.428 34 G N 2.885 111.648 108.800 -0.061 0.000 2.212 34 G HA2 -0.228 3.762 3.960 0.051 0.000 0.255 34 G HA3 -0.228 3.762 3.960 0.051 0.000 0.255 34 G C -0.283 174.650 174.900 0.055 0.000 1.062 34 G CA -0.427 44.639 45.100 -0.056 0.000 0.815 34 G HN 0.465 nan 8.290 nan 0.000 0.497 35 I N 1.973 122.595 120.570 0.088 0.000 2.352 35 I HA 0.270 4.470 4.170 0.051 0.000 0.290 35 I C -1.639 174.522 176.117 0.072 0.000 1.036 35 I CA -2.365 58.962 61.300 0.045 0.000 1.336 35 I CB 1.336 39.303 38.000 -0.054 0.000 1.407 35 I HN -0.054 nan 8.210 nan 0.000 0.497 36 P HA 0.036 nan 4.420 nan 0.000 0.276 36 P C -0.085 177.136 177.300 -0.132 0.000 1.253 36 P CA -0.039 62.885 63.100 -0.293 0.000 0.766 36 P CB 0.310 31.850 31.700 -0.266 0.000 0.845 37 F N 1.810 121.600 119.950 -0.267 0.000 2.704 37 F HA 0.694 5.251 4.527 0.051 0.000 0.304 37 F C 0.164 175.965 175.800 0.002 0.000 1.094 37 F CA -0.763 57.155 58.000 -0.135 0.000 1.275 37 F CB 0.177 39.003 39.000 -0.290 0.000 1.073 37 F HN 0.305 nan 8.300 nan 0.000 0.586 38 A N 0.014 122.541 122.820 -0.487 0.000 2.594 38 A HA 0.549 4.899 4.320 0.051 0.000 0.291 38 A C -0.864 176.553 177.584 -0.279 0.000 1.105 38 A CA -0.855 50.991 52.037 -0.318 0.000 0.694 38 A CB 0.883 19.614 19.000 -0.449 0.000 1.291 38 A HN 0.068 nan 8.150 nan 0.000 0.410 39 E N 1.280 121.400 120.200 -0.134 0.000 2.415 39 E HA 0.213 4.593 4.350 0.051 0.000 0.263 39 E C -2.298 174.205 176.600 -0.161 0.000 0.995 39 E CA -1.230 55.105 56.400 -0.108 0.000 0.915 39 E CB -0.055 29.621 29.700 -0.040 0.000 0.951 39 E HN 0.226 nan 8.360 nan 0.000 0.449 40 P HA -0.020 nan 4.420 nan 0.000 0.258 40 P C -2.207 175.030 177.300 -0.106 0.000 1.172 40 P CA -0.630 62.385 63.100 -0.142 0.000 0.762 40 P CB -0.046 31.606 31.700 -0.079 0.000 0.764 41 P HA 0.024 nan 4.420 nan 0.000 0.218 41 P C -0.363 176.880 177.300 -0.094 0.000 1.793 41 P CA 0.065 63.111 63.100 -0.089 0.000 0.941 41 P CB -0.112 31.538 31.700 -0.084 0.000 1.919 42 V N -2.752 117.113 119.914 -0.082 0.000 2.881 42 V HA 0.913 5.063 4.120 0.051 0.000 0.316 42 V C 0.860 176.914 176.094 -0.067 0.000 1.070 42 V CA 0.196 62.446 62.300 -0.084 0.000 0.976 42 V CB 0.961 32.741 31.823 -0.072 0.000 1.038 42 V HN 0.554 nan 8.190 nan 0.000 0.446 43 G N 3.164 111.923 108.800 -0.069 0.000 2.543 43 G HA2 -0.327 3.663 3.960 0.051 0.000 0.286 43 G HA3 -0.327 3.663 3.960 0.051 0.000 0.286 43 G C 1.208 176.083 174.900 -0.042 0.000 1.153 43 G CA 1.413 46.485 45.100 -0.046 0.000 0.968 43 G HN 2.371 nan 8.290 nan 0.000 0.544 44 S N 0.574 116.263 115.700 -0.019 0.000 2.515 44 S HA 0.070 4.571 4.470 0.051 0.000 0.231 44 S C 1.912 176.510 174.600 -0.002 0.000 0.987 44 S CA 1.510 59.710 58.200 -0.000 0.000 0.936 44 S CB -0.022 63.184 63.200 0.011 0.000 0.766 44 S HN 0.623 nan 8.310 nan 0.000 0.528 45 R N 1.126 121.610 120.500 -0.026 0.000 2.297 45 R HA 0.216 4.586 4.340 0.051 0.000 0.197 45 R C 0.900 177.164 176.300 -0.059 0.000 0.943 45 R CA -0.070 56.014 56.100 -0.027 0.000 1.038 45 R CB -0.366 29.914 30.300 -0.033 0.000 0.957 45 R HN 0.493 nan 8.270 nan 0.000 0.484 46 R N 0.782 121.202 120.500 -0.132 0.000 2.522 46 R HA -0.104 4.266 4.340 0.051 0.000 0.284 46 R C -0.240 175.876 176.300 -0.305 0.000 1.032 46 R CA 0.441 56.342 56.100 -0.333 0.000 1.049 46 R CB 0.089 30.073 30.300 -0.526 0.000 0.956 46 R HN 0.062 nan 8.270 nan 0.000 0.422 47 F N -0.591 119.375 119.950 0.026 0.000 2.748 47 F HA -0.310 4.247 4.527 0.050 0.000 0.370 47 F C 0.092 175.885 175.800 -0.011 0.000 0.620 47 F CA 0.686 58.677 58.000 -0.014 0.000 1.233 47 F CB -1.690 37.289 39.000 -0.034 0.000 1.708 47 F HN 0.479 nan 8.300 nan 0.000 0.298 48 M N 1.117 120.789 119.600 0.120 0.000 2.409 48 M HA 0.418 4.928 4.480 0.051 0.000 0.329 48 M C -1.998 174.336 176.300 0.058 0.000 1.180 48 M CA -1.510 53.841 55.300 0.085 0.000 1.053 48 M CB 0.779 33.416 32.600 0.061 0.000 1.586 48 M HN -0.370 nan 8.290 nan 0.000 0.461 49 P HA 0.071 nan 4.420 nan 0.000 0.267 49 P C -2.459 174.875 177.300 0.056 0.000 1.201 49 P CA -0.500 62.638 63.100 0.064 0.000 0.775 49 P CB -0.527 31.220 31.700 0.078 0.000 0.854 50 P HA 0.197 nan 4.420 nan 0.000 0.277 50 P C -0.664 176.676 177.300 0.066 0.000 1.240 50 P CA -0.006 63.126 63.100 0.053 0.000 0.798 50 P CB 1.014 32.769 31.700 0.092 0.000 0.979 51 E N 2.135 122.359 120.200 0.041 0.000 2.221 51 E HA 0.418 4.799 4.350 0.051 0.000 0.268 51 E C -2.342 174.298 176.600 0.068 0.000 0.933 51 E CA -2.431 54.003 56.400 0.056 0.000 0.809 51 E CB 0.628 30.351 29.700 0.038 0.000 1.190 51 E HN 0.340 nan 8.360 nan 0.000 0.406 52 P HA -0.052 nan 4.420 nan 0.000 0.266 52 P C -0.743 176.627 177.300 0.116 0.000 1.195 52 P CA -0.149 63.035 63.100 0.140 0.000 0.768 52 P CB 0.403 32.185 31.700 0.138 0.000 0.838 53 K N 3.832 124.324 120.400 0.155 0.000 2.416 53 K HA 0.052 4.402 4.320 0.051 0.000 0.283 53 K C 0.049 176.768 176.600 0.199 0.000 1.037 53 K CA 0.293 56.675 56.287 0.159 0.000 0.995 53 K CB 0.100 32.726 32.500 0.211 0.000 0.938 53 K HN 0.264 nan 8.250 nan 0.000 0.475 54 R N 5.061 125.657 120.500 0.160 0.000 2.643 54 R HA 0.115 4.485 4.340 0.051 0.000 0.270 54 R C -1.971 174.446 176.300 0.196 0.000 1.061 54 R CA -1.488 54.694 56.100 0.137 0.000 1.107 54 R CB -0.049 30.314 30.300 0.106 0.000 0.999 54 R HN 0.586 nan 8.270 nan 0.000 0.460 55 P HA -0.078 nan 4.420 nan 0.000 0.269 55 P C -1.197 176.149 177.300 0.076 0.000 1.217 55 P CA 0.144 63.188 63.100 -0.094 0.000 0.783 55 P CB 0.331 31.938 31.700 -0.156 0.000 0.898 56 W N 0.333 121.667 121.300 0.056 0.000 2.882 56 W HA 0.689 5.379 4.660 0.051 0.000 0.345 56 W C -0.640 175.905 176.519 0.042 0.000 1.125 56 W CA -0.979 56.397 57.345 0.051 0.000 1.167 56 W CB 0.049 29.548 29.460 0.064 0.000 1.431 56 W HN 0.377 nan 8.180 nan 0.000 0.543 57 S N 1.408 117.273 115.700 0.275 0.000 2.672 57 S HA 0.780 5.281 4.470 0.051 0.000 0.276 57 S C 0.739 175.487 174.600 0.246 0.000 1.207 57 S CA 0.085 58.385 58.200 0.167 0.000 1.002 57 S CB 0.752 64.021 63.200 0.115 0.000 0.998 57 S HN 2.122 nan 8.310 nan 0.000 0.542 58 G N 0.073 108.966 108.800 0.155 0.000 2.574 58 G HA2 -0.200 3.790 3.960 0.051 0.000 0.282 58 G HA3 -0.200 3.790 3.960 0.051 0.000 0.282 58 G C -0.494 174.544 174.900 0.230 0.000 1.257 58 G CA -0.033 45.160 45.100 0.154 0.000 0.956 58 G HN 1.703 nan 8.290 nan 0.000 0.560 59 V N 0.743 120.772 119.914 0.191 0.000 2.357 59 V HA 0.525 4.676 4.120 0.051 0.000 0.284 59 V C 0.374 176.561 176.094 0.156 0.000 1.018 59 V CA -0.567 61.854 62.300 0.202 0.000 0.841 59 V CB 1.247 33.147 31.823 0.128 0.000 0.991 59 V HN 0.797 nan 8.190 nan 0.000 0.437 60 L N 4.260 125.579 121.223 0.160 0.000 2.360 60 L HA 0.357 4.728 4.340 0.051 0.000 0.276 60 L C 0.250 177.101 176.870 -0.033 0.000 1.121 60 L CA 0.259 55.035 54.840 -0.106 0.000 0.845 60 L CB 0.690 42.388 42.059 -0.602 0.000 1.143 60 L HN 0.757 nan 8.230 nan 0.000 0.452 61 D N 3.994 124.358 120.400 -0.059 0.000 2.346 61 D HA 0.377 5.047 4.640 0.051 0.000 0.260 61 D C -0.063 176.199 176.300 -0.064 0.000 1.252 61 D CA 0.417 54.391 54.000 -0.044 0.000 0.895 61 D CB 0.817 41.581 40.800 -0.060 0.000 1.097 61 D HN 0.694 nan 8.370 nan 0.000 0.489 62 A N 3.207 126.016 122.820 -0.019 0.000 3.041 62 A HA 0.212 4.562 4.320 0.051 0.000 0.307 62 A C 1.041 178.551 177.584 -0.123 0.000 1.116 62 A CA -0.398 51.621 52.037 -0.030 0.000 1.001 62 A CB -0.161 18.918 19.000 0.131 0.000 1.112 62 A HN 0.587 nan 8.150 nan 0.000 0.556 63 T N -3.981 110.477 114.554 -0.159 0.000 3.069 63 T HA 0.296 4.676 4.350 0.051 0.000 0.252 63 T C 0.506 175.046 174.700 -0.266 0.000 1.053 63 T CA 0.543 62.515 62.100 -0.214 0.000 0.964 63 T CB 0.177 68.951 68.868 -0.157 0.000 1.005 63 T HN 0.285 nan 8.240 nan 0.000 0.532 64 T N 0.805 115.199 114.554 -0.268 0.000 2.923 64 T HA 0.569 4.949 4.350 0.051 0.000 0.311 64 T C -1.485 173.060 174.700 -0.259 0.000 1.183 64 T CA -0.803 61.136 62.100 -0.269 0.000 1.020 64 T CB 0.657 69.429 68.868 -0.160 0.000 1.165 64 T HN 0.100 nan 8.240 nan 0.000 0.482 65 F N 3.208 123.084 119.950 -0.122 0.000 2.563 65 F HA 0.287 4.845 4.527 0.051 0.000 0.363 65 F C 1.449 177.145 175.800 -0.173 0.000 1.123 65 F CA -0.021 57.908 58.000 -0.118 0.000 1.307 65 F CB 0.550 39.508 39.000 -0.069 0.000 1.115 65 F HN 0.403 nan 8.300 nan 0.000 0.592 66 Q N 1.473 121.267 119.800 -0.011 0.000 2.272 66 Q HA 0.184 4.555 4.340 0.051 0.000 0.192 66 Q C -0.030 175.889 176.000 -0.134 0.000 1.059 66 Q CA -0.578 55.071 55.803 -0.257 0.000 1.084 66 Q CB 0.475 28.767 28.738 -0.743 0.000 1.139 66 Q HN 0.521 nan 8.270 nan 0.000 0.593 67 N N -0.434 118.159 118.700 -0.178 0.000 2.415 67 N HA 0.062 4.833 4.740 0.051 0.000 0.248 67 N C -0.650 174.830 175.510 -0.050 0.000 1.271 67 N CA 0.014 53.009 53.050 -0.092 0.000 0.913 67 N CB 0.472 38.915 38.487 -0.073 0.000 1.129 67 N HN 0.157 nan 8.380 nan 0.000 0.444 68 V N 1.528 121.392 119.914 -0.083 0.000 2.546 68 V HA 0.095 4.245 4.120 0.051 0.000 0.284 68 V C 0.571 176.611 176.094 -0.089 0.000 1.050 68 V CA -0.821 61.415 62.300 -0.106 0.000 0.981 68 V CB 0.915 32.636 31.823 -0.169 0.000 0.990 68 V HN 0.706 nan 8.190 nan 0.000 0.474 69 c N 4.534 123.099 118.600 -0.060 0.000 2.597 69 c HA 0.035 4.635 4.570 0.051 0.000 0.412 69 c C 0.530 174.565 174.090 -0.091 0.000 1.348 69 c CA -0.450 55.850 56.329 -0.047 0.000 1.769 69 c CB -1.045 41.466 42.510 0.001 0.000 2.641 69 c HN 0.756 nan 8.230 nan 0.000 0.612 70 Y N 4.034 124.183 120.300 -0.251 0.000 2.632 70 Y HA 0.277 4.857 4.550 0.051 0.000 0.329 70 Y C 0.737 176.601 175.900 -0.059 0.000 1.174 70 Y CA 0.964 58.895 58.100 -0.282 0.000 1.469 70 Y CB 0.144 38.223 38.460 -0.634 0.000 1.242 70 Y HN 0.753 nan 8.280 nan 0.000 0.540 71 Q N 4.327 124.028 119.800 -0.166 0.000 2.522 71 Q HA 0.209 4.579 4.340 0.051 0.000 0.285 71 Q C -1.798 174.256 176.000 0.090 0.000 0.982 71 Q CA -1.202 54.671 55.803 0.117 0.000 0.805 71 Q CB 1.178 29.955 28.738 0.065 0.000 1.457 71 Q HN 0.694 nan 8.270 nan 0.000 0.394 72 Y N 1.347 121.736 120.300 0.149 0.000 2.717 72 Y HA 0.252 4.832 4.550 0.050 0.000 0.330 72 Y C -0.880 175.064 175.900 0.073 0.000 1.217 72 Y CA 0.339 58.506 58.100 0.111 0.000 1.506 72 Y CB 0.725 39.240 38.460 0.092 0.000 1.268 72 Y HN 0.438 nan 8.280 nan 0.000 0.561 73 V N 6.949 126.532 119.914 -0.553 0.000 2.435 73 V HA 0.103 4.253 4.120 0.051 0.000 0.290 73 V C -0.363 175.318 176.094 -0.689 0.000 1.030 73 V CA -0.971 61.069 62.300 -0.434 0.000 0.881 73 V CB 1.572 33.235 31.823 -0.266 0.000 0.983 73 V HN 0.767 nan 8.190 nan 0.000 0.445 74 D N 2.719 122.951 120.400 -0.281 0.000 2.389 74 D HA 0.314 4.985 4.640 0.051 0.000 0.247 74 D C 0.920 177.232 176.300 0.020 0.000 1.128 74 D CA 0.400 54.372 54.000 -0.047 0.000 0.884 74 D CB 1.230 42.186 40.800 0.261 0.000 1.194 74 D HN 0.770 nan 8.370 nan 0.000 0.441 75 T N 0.911 115.524 114.554 0.097 0.000 3.111 75 T HA 0.041 4.422 4.350 0.051 0.000 0.284 75 T C 1.423 176.169 174.700 0.078 0.000 0.983 75 T CA -0.458 61.691 62.100 0.081 0.000 0.900 75 T CB -0.029 68.874 68.868 0.058 0.000 1.132 75 T HN 0.251 nan 8.240 nan 0.000 0.531 76 L N 1.047 122.323 121.223 0.088 0.000 1.989 76 L HA 0.153 4.523 4.340 0.051 0.000 0.211 76 L C -0.235 176.375 176.870 -0.435 0.000 1.071 76 L CA 1.651 56.364 54.840 -0.213 0.000 0.749 76 L CB -0.421 41.404 42.059 -0.389 0.000 0.890 76 L HN 0.418 nan 8.230 nan 0.000 0.431 77 Y N -0.118 120.246 120.300 0.107 0.000 2.805 77 Y HA 0.429 5.010 4.550 0.051 0.000 0.339 77 Y C -2.218 173.754 175.900 0.120 0.000 1.012 77 Y CA -3.465 54.673 58.100 0.063 0.000 1.262 77 Y CB -0.044 38.401 38.460 -0.024 0.000 1.100 77 Y HN 0.085 nan 8.280 nan 0.000 0.559 78 P HA 0.175 nan 4.420 nan 0.000 0.271 78 P C 0.967 178.338 177.300 0.119 0.000 1.226 78 P CA 0.817 63.990 63.100 0.121 0.000 0.765 78 P CB 0.941 32.682 31.700 0.069 0.000 0.835 79 G N 2.486 111.342 108.800 0.093 0.000 2.159 79 G HA2 -0.283 3.707 3.960 0.051 0.000 0.256 79 G HA3 -0.283 3.707 3.960 0.051 0.000 0.256 79 G C -0.157 174.789 174.900 0.076 0.000 0.977 79 G CA -0.378 44.754 45.100 0.053 0.000 0.652 79 G HN 0.543 nan 8.290 nan 0.000 0.531 80 F N 1.619 121.542 119.950 -0.045 0.000 2.424 80 F HA 0.653 5.210 4.527 0.050 0.000 0.356 80 F C 1.255 176.965 175.800 -0.151 0.000 1.110 80 F CA -0.778 57.146 58.000 -0.128 0.000 1.161 80 F CB 1.423 40.329 39.000 -0.157 0.000 1.115 80 F HN 0.073 nan 8.300 nan 0.000 0.507 81 E N 3.926 123.701 120.200 -0.708 0.000 2.118 81 E HA -0.064 4.317 4.350 0.051 0.000 0.195 81 E C 2.207 178.324 176.600 -0.804 0.000 0.992 81 E CA 1.820 57.841 56.400 -0.633 0.000 0.804 81 E CB -0.489 28.927 29.700 -0.475 0.000 0.741 81 E HN 0.915 nan 8.360 nan 0.000 0.458 82 G N -0.804 107.041 108.800 -1.591 0.000 2.450 82 G HA2 -0.287 3.704 3.960 0.051 0.000 0.220 82 G HA3 -0.287 3.704 3.960 0.051 0.000 0.220 82 G C 1.676 176.580 174.900 0.008 0.000 1.130 82 G CA 1.630 46.099 45.100 -1.053 0.000 0.760 82 G HN 0.489 nan 8.290 nan 0.000 0.557 83 T N -2.404 112.148 114.554 -0.003 0.000 3.039 83 T HA 0.157 4.537 4.350 0.051 0.000 0.250 83 T C 1.874 176.755 174.700 0.301 0.000 1.052 83 T CA 0.675 63.109 62.100 0.557 0.000 1.125 83 T CB 0.123 69.400 68.868 0.683 0.000 0.908 83 T HN 0.127 nan 8.240 nan 0.000 0.473 84 E N 2.131 122.344 120.200 0.021 0.000 2.208 84 E HA -0.025 4.356 4.350 0.051 0.000 0.193 84 E C 2.187 178.681 176.600 -0.177 0.000 0.988 84 E CA 1.087 57.456 56.400 -0.052 0.000 0.828 84 E CB -0.414 29.227 29.700 -0.098 0.000 0.763 84 E HN 0.801 nan 8.360 nan 0.000 0.478 85 M N -2.344 117.041 119.600 -0.358 0.000 2.539 85 M HA -0.055 4.455 4.480 0.051 0.000 0.261 85 M C 1.242 177.105 176.300 -0.728 0.000 1.069 85 M CA 1.348 56.276 55.300 -0.619 0.000 1.081 85 M CB -0.478 31.628 32.600 -0.823 0.000 1.412 85 M HN -0.005 nan 8.290 nan 0.000 0.482 86 W N 0.681 121.902 121.300 -0.132 0.000 2.996 86 W HA 0.273 4.963 4.660 0.050 0.000 0.270 86 W C 0.474 176.895 176.519 -0.163 0.000 1.280 86 W CA -0.975 56.276 57.345 -0.158 0.000 1.549 86 W CB -0.057 29.363 29.460 -0.067 0.000 1.079 86 W HN 0.093 nan 8.180 nan 0.000 0.629 87 N N 1.665 120.386 118.700 0.035 0.000 2.482 87 N HA 0.108 4.879 4.740 0.051 0.000 0.260 87 N C -2.435 173.002 175.510 -0.121 0.000 1.236 87 N CA -1.340 51.690 53.050 -0.033 0.000 0.938 87 N CB -0.117 38.350 38.487 -0.033 0.000 1.128 87 N HN -0.329 nan 8.380 nan 0.000 0.448 88 P HA 0.025 nan 4.420 nan 0.000 0.262 88 P C 0.262 177.461 177.300 -0.169 0.000 1.182 88 P CA 0.093 63.086 63.100 -0.178 0.000 0.761 88 P CB 0.296 31.885 31.700 -0.185 0.000 0.795 89 N N 2.339 120.926 118.700 -0.189 0.000 2.203 89 N HA 0.069 4.839 4.740 0.051 0.000 0.207 89 N C 0.155 175.586 175.510 -0.131 0.000 1.130 89 N CA 0.060 53.011 53.050 -0.166 0.000 0.861 89 N CB 0.373 38.742 38.487 -0.197 0.000 1.005 89 N HN 0.149 nan 8.380 nan 0.000 0.507 90 R N 0.269 120.689 120.500 -0.133 0.000 2.888 90 R HA 0.342 4.713 4.340 0.051 0.000 0.264 90 R C -0.171 176.065 176.300 -0.107 0.000 1.045 90 R CA -0.637 55.403 56.100 -0.099 0.000 0.962 90 R CB 0.808 31.058 30.300 -0.084 0.000 1.210 90 R HN 0.111 nan 8.270 nan 0.000 0.479 91 E N 1.520 121.667 120.200 -0.088 0.000 2.442 91 E HA 0.035 4.416 4.350 0.051 0.000 0.262 91 E C -0.007 176.533 176.600 -0.101 0.000 1.004 91 E CA 0.170 56.519 56.400 -0.085 0.000 0.928 91 E CB 0.545 30.208 29.700 -0.061 0.000 0.937 91 E HN 0.267 nan 8.360 nan 0.000 0.446 92 L N 1.871 123.019 121.223 -0.124 0.000 2.380 92 L HA 0.187 4.557 4.340 0.051 0.000 0.273 92 L C 0.689 177.555 176.870 -0.007 0.000 1.138 92 L CA 0.140 54.878 54.840 -0.170 0.000 0.832 92 L CB 0.823 42.608 42.059 -0.457 0.000 1.124 92 L HN 0.361 nan 8.230 nan 0.000 0.454 93 S N 0.895 116.607 115.700 0.021 0.000 2.537 93 S HA 0.213 4.714 4.470 0.051 0.000 0.271 93 S C 0.302 174.898 174.600 -0.006 0.000 1.148 93 S CA -0.658 57.576 58.200 0.057 0.000 0.868 93 S CB 1.641 64.847 63.200 0.010 0.000 1.115 93 S HN 0.735 nan 8.310 nan 0.000 0.461 94 E N 0.947 121.091 120.200 -0.093 0.000 2.274 94 E HA -0.074 4.306 4.350 0.051 0.000 0.194 94 E C -0.225 176.319 176.600 -0.094 0.000 0.996 94 E CA 0.492 56.779 56.400 -0.188 0.000 0.840 94 E CB 0.087 29.621 29.700 -0.277 0.000 0.772 94 E HN 0.527 nan 8.360 nan 0.000 0.491 95 D N 0.602 120.979 120.400 -0.038 0.000 2.455 95 D HA -0.019 4.651 4.640 0.051 0.000 0.234 95 D C 0.001 176.387 176.300 0.143 0.000 1.224 95 D CA -0.180 53.834 54.000 0.023 0.000 0.999 95 D CB -0.048 40.777 40.800 0.042 0.000 1.072 95 D HN 0.164 nan 8.370 nan 0.000 0.514 96 c N 2.441 121.102 118.600 0.101 0.000 3.722 96 c HA 0.359 4.960 4.570 0.051 0.000 0.279 96 c C 0.612 174.790 174.090 0.145 0.000 1.819 96 c CA -0.689 55.764 56.329 0.205 0.000 1.744 96 c CB -1.219 41.337 42.510 0.077 0.000 3.247 96 c HN 0.431 nan 8.230 nan 0.000 0.549 97 L N 2.522 123.577 121.223 -0.281 0.000 2.399 97 L HA 0.419 4.789 4.340 0.051 0.000 0.257 97 L C -0.924 175.331 176.870 -1.025 0.000 1.236 97 L CA 0.489 54.936 54.840 -0.655 0.000 1.144 97 L CB -0.630 40.900 42.059 -0.881 0.000 1.379 97 L HN 0.410 nan 8.230 nan 0.000 0.414 98 Y N 1.900 122.157 120.300 -0.072 0.000 2.576 98 Y HA 0.673 5.253 4.550 0.050 0.000 0.346 98 Y C -0.136 175.932 175.900 0.280 0.000 1.018 98 Y CA -1.244 56.893 58.100 0.062 0.000 1.050 98 Y CB 2.054 40.510 38.460 -0.007 0.000 1.280 98 Y HN 0.188 nan 8.280 nan 0.000 0.474 99 L N -0.270 121.122 121.223 0.282 0.000 2.359 99 L HA 0.767 5.137 4.340 0.051 0.000 0.256 99 L C -1.470 175.401 176.870 0.002 0.000 1.026 99 L CA -1.175 53.730 54.840 0.107 0.000 0.828 99 L CB 1.934 43.906 42.059 -0.144 0.000 1.406 99 L HN 0.483 nan 8.230 nan 0.000 0.413 100 N N 0.366 119.076 118.700 0.017 0.000 2.238 100 N HA 0.749 5.519 4.740 0.051 0.000 0.302 100 N C -1.524 173.904 175.510 -0.137 0.000 1.072 100 N CA -0.439 52.539 53.050 -0.120 0.000 0.792 100 N CB 2.943 41.387 38.487 -0.071 0.000 1.425 100 N HN 0.521 nan 8.380 nan 0.000 0.478 101 V N 1.612 121.361 119.914 -0.275 0.000 2.525 101 V HA 0.427 4.577 4.120 0.051 0.000 0.299 101 V C -0.754 175.302 176.094 -0.063 0.000 1.034 101 V CA -0.824 61.413 62.300 -0.104 0.000 0.863 101 V CB 1.948 33.544 31.823 -0.378 0.000 0.999 101 V HN 0.547 nan 8.190 nan 0.000 0.423 102 W N 2.899 124.301 121.300 0.170 0.000 2.551 102 W HA 0.701 5.392 4.660 0.051 0.000 0.330 102 W C 0.250 176.890 176.519 0.202 0.000 1.063 102 W CA -0.449 57.004 57.345 0.180 0.000 1.222 102 W CB 2.432 31.971 29.460 0.132 0.000 1.349 102 W HN 0.628 nan 8.180 nan 0.000 0.536 103 T N -0.301 114.524 114.554 0.451 0.000 2.896 103 T HA 0.484 4.865 4.350 0.051 0.000 0.297 103 T C -2.815 172.065 174.700 0.300 0.000 1.108 103 T CA -2.445 59.869 62.100 0.357 0.000 1.004 103 T CB 2.101 71.198 68.868 0.382 0.000 1.159 103 T HN -0.080 nan 8.240 nan 0.000 0.499 104 P HA 0.160 nan 4.420 nan 0.000 0.269 104 P C -1.510 175.928 177.300 0.231 0.000 1.211 104 P CA -0.089 63.129 63.100 0.196 0.000 0.781 104 P CB 0.083 31.866 31.700 0.139 0.000 0.877 105 Y N 3.142 123.498 120.300 0.094 0.000 2.326 105 Y HA 0.402 4.982 4.550 0.051 0.000 0.331 105 Y C -2.051 173.884 175.900 0.058 0.000 0.962 105 Y CA -2.453 55.694 58.100 0.078 0.000 1.167 105 Y CB 1.055 39.548 38.460 0.055 0.000 1.148 105 Y HN 0.344 nan 8.280 nan 0.000 0.463 106 P HA 0.119 nan 4.420 nan 0.000 0.272 106 P C -0.950 176.283 177.300 -0.112 0.000 1.240 106 P CA -0.502 62.363 63.100 -0.392 0.000 0.791 106 P CB 0.873 32.414 31.700 -0.264 0.000 0.978 107 R N 1.075 121.526 120.500 -0.081 0.000 2.679 107 R HA 0.182 4.552 4.340 0.051 0.000 0.268 107 R C -2.140 174.181 176.300 0.035 0.000 1.044 107 R CA -1.041 55.087 56.100 0.047 0.000 1.105 107 R CB -1.210 29.141 30.300 0.085 0.000 0.989 107 R HN 0.278 nan 8.270 nan 0.000 0.447 108 P HA -0.083 nan 4.420 nan 0.000 0.263 108 P C -0.230 177.086 177.300 0.027 0.000 1.175 108 P CA 0.615 63.746 63.100 0.052 0.000 0.761 108 P CB 0.774 32.516 31.700 0.069 0.000 0.794 109 A N 2.549 125.380 122.820 0.018 0.000 2.014 109 A HA 0.030 4.380 4.320 0.051 0.000 0.218 109 A C 0.893 178.480 177.584 0.006 0.000 1.163 109 A CA 1.520 53.561 52.037 0.006 0.000 0.652 109 A CB -0.519 18.484 19.000 0.005 0.000 0.808 109 A HN 0.628 nan 8.150 nan 0.000 0.449 110 S N -1.732 113.976 115.700 0.012 0.000 2.599 110 S HA 0.628 5.129 4.470 0.051 0.000 0.287 110 S C -3.331 171.279 174.600 0.016 0.000 1.105 110 S CA -1.872 56.334 58.200 0.008 0.000 0.899 110 S CB 1.301 64.503 63.200 0.004 0.000 1.100 110 S HN -0.053 nan 8.310 nan 0.000 0.482 111 P HA 0.172 nan 4.420 nan 0.000 0.260 111 P C -0.661 176.650 177.300 0.019 0.000 1.185 111 P CA 0.421 63.532 63.100 0.018 0.000 0.763 111 P CB -0.034 31.669 31.700 0.004 0.000 0.776 112 T N 5.811 120.389 114.554 0.039 0.000 2.824 112 T HA 0.396 4.777 4.350 0.051 0.000 0.280 112 T C -2.404 172.320 174.700 0.040 0.000 0.995 112 T CA -1.989 60.135 62.100 0.041 0.000 1.009 112 T CB 0.788 69.695 68.868 0.065 0.000 0.955 112 T HN 0.134 nan 8.240 nan 0.000 0.452 113 P HA 0.094 nan 4.420 nan 0.000 0.264 113 P C -0.826 176.506 177.300 0.052 0.000 1.179 113 P CA -0.154 62.954 63.100 0.013 0.000 0.763 113 P CB 0.332 32.023 31.700 -0.016 0.000 0.806 114 V N 4.943 124.903 119.914 0.076 0.000 2.435 114 V HA 0.320 4.471 4.120 0.051 0.000 0.290 114 V C 0.343 176.511 176.094 0.124 0.000 1.030 114 V CA -0.516 61.856 62.300 0.119 0.000 0.881 114 V CB 1.216 33.127 31.823 0.147 0.000 0.983 114 V HN 0.336 nan 8.190 nan 0.000 0.445 115 L N 5.767 127.074 121.223 0.139 0.000 2.296 115 L HA 0.587 4.957 4.340 0.051 0.000 0.286 115 L C -0.557 176.541 176.870 0.380 0.000 1.023 115 L CA -0.264 54.673 54.840 0.162 0.000 0.812 115 L CB 1.558 43.571 42.059 -0.078 0.000 1.223 115 L HN 0.495 nan 8.230 nan 0.000 0.421 116 I N 3.018 123.852 120.570 0.439 0.000 2.354 116 I HA 0.173 4.374 4.170 0.051 0.000 0.286 116 I C -0.533 175.886 176.117 0.504 0.000 1.007 116 I CA -0.390 61.155 61.300 0.409 0.000 1.167 116 I CB 1.183 39.296 38.000 0.187 0.000 1.320 116 I HN 0.647 nan 8.210 nan 0.000 0.458 117 W N 8.705 130.153 121.300 0.246 0.000 2.311 117 W HA 0.471 5.161 4.660 0.050 0.000 0.310 117 W C -1.345 175.095 176.519 -0.132 0.000 1.274 117 W CA -0.497 56.742 57.345 -0.176 0.000 1.215 117 W CB 0.959 30.342 29.460 -0.129 0.000 1.227 117 W HN 0.372 nan 8.180 nan 0.000 0.523 118 I N 9.529 129.490 120.570 -1.016 0.000 2.359 118 I HA 0.061 4.261 4.170 0.051 0.000 0.284 118 I C -0.086 175.222 176.117 -1.348 0.000 1.018 118 I CA -1.097 59.654 61.300 -0.914 0.000 1.173 118 I CB 0.442 38.087 38.000 -0.591 0.000 1.326 118 I HN 0.293 nan 8.210 nan 0.000 0.462 119 Y N 4.644 124.419 120.300 -0.875 0.000 2.511 119 Y HA 0.594 5.174 4.550 0.050 0.000 0.347 119 Y C 0.813 176.525 175.900 -0.314 0.000 1.257 119 Y CA -0.688 57.060 58.100 -0.586 0.000 1.469 119 Y CB -0.071 38.289 38.460 -0.166 0.000 1.353 119 Y HN 0.525 nan 8.280 nan 0.000 0.617 120 G N -0.682 108.104 108.800 -0.023 0.000 2.641 120 G HA2 0.489 4.480 3.960 0.051 0.000 0.239 120 G HA3 0.489 4.480 3.960 0.051 0.000 0.239 120 G C 0.314 175.140 174.900 -0.125 0.000 1.402 120 G CA -0.935 44.081 45.100 -0.139 0.000 1.046 120 G HN 1.749 nan 8.290 nan 0.000 0.565 121 G N -2.745 105.806 108.800 -0.415 0.000 2.188 121 G HA2 0.395 4.386 3.960 0.051 0.000 0.112 121 G HA3 0.395 4.386 3.960 0.051 0.000 0.112 121 G C 1.074 175.355 174.900 -1.032 0.000 1.048 121 G CA 0.690 45.405 45.100 -0.642 0.000 0.720 121 G HN 2.335 nan 8.290 nan 0.000 0.487 122 G N -0.571 107.595 108.800 -1.057 0.000 2.233 122 G HA2 -0.112 3.879 3.960 0.051 0.000 0.270 122 G HA3 -0.112 3.879 3.960 0.051 0.000 0.270 122 G C 0.919 175.384 174.900 -0.726 0.000 1.011 122 G CA 0.852 44.996 45.100 -1.592 0.000 0.762 122 G HN 1.811 nan 8.290 nan 0.000 0.511 123 F N -3.448 116.307 119.950 -0.324 0.000 2.871 123 F HA -0.309 4.248 4.527 0.051 0.000 0.326 123 F C 1.443 177.337 175.800 0.157 0.000 0.675 123 F CA 2.125 60.103 58.000 -0.038 0.000 1.188 123 F CB -2.088 36.760 39.000 -0.253 0.000 1.567 123 F HN 0.934 nan 8.300 nan 0.000 0.325 124 Y N -1.083 119.291 120.300 0.123 0.000 2.500 124 Y HA 0.668 5.248 4.550 0.050 0.000 0.246 124 Y C 0.561 176.531 175.900 0.117 0.000 1.146 124 Y CA 0.176 58.374 58.100 0.163 0.000 1.230 124 Y CB 0.011 38.512 38.460 0.067 0.000 1.214 124 Y HN 0.110 nan 8.280 nan 0.000 0.526 125 S N -0.865 114.615 115.700 -0.367 0.000 2.672 125 S HA 0.857 5.358 4.470 0.051 0.000 0.271 125 S C -0.210 174.226 174.600 -0.273 0.000 1.171 125 S CA -0.490 57.527 58.200 -0.305 0.000 0.817 125 S CB 1.399 64.324 63.200 -0.457 0.000 1.150 125 S HN 1.416 nan 8.310 nan 0.000 0.478 126 G N -0.652 107.950 108.800 -0.330 0.000 2.515 126 G HA2 0.547 4.537 3.960 0.051 0.000 0.686 126 G HA3 0.547 4.537 3.960 0.051 0.000 0.686 126 G C -0.628 173.608 174.900 -1.107 0.000 1.274 126 G CA -0.247 44.497 45.100 -0.593 0.000 0.874 126 G HN 2.235 nan 8.290 nan 0.000 0.631 127 A N -0.832 121.246 122.820 -1.236 0.000 2.605 127 A HA 1.013 5.363 4.320 0.051 0.000 0.294 127 A C 0.569 177.936 177.584 -0.362 0.000 1.062 127 A CA 0.563 52.081 52.037 -0.864 0.000 0.682 127 A CB 0.962 19.710 19.000 -0.420 0.000 1.278 127 A HN 2.588 nan 8.150 nan 0.000 0.410 128 A N 0.317 123.141 122.820 0.007 0.000 2.238 128 A HA 0.294 4.644 4.320 0.051 0.000 0.208 128 A C 1.646 179.248 177.584 0.030 0.000 1.177 128 A CA 1.647 53.875 52.037 0.319 0.000 0.804 128 A CB -0.558 18.704 19.000 0.437 0.000 0.823 128 A HN 1.777 nan 8.150 nan 0.000 0.482 129 S N -0.570 114.900 115.700 -0.384 0.000 2.535 129 S HA 0.301 4.801 4.470 0.051 0.000 0.214 129 S C 0.522 174.672 174.600 -0.751 0.000 0.980 129 S CA -0.441 57.073 58.200 -1.143 0.000 0.907 129 S CB -0.564 61.937 63.200 -1.166 0.000 0.790 129 S HN 0.374 nan 8.310 nan 0.000 0.510 130 L N 2.564 123.495 121.223 -0.486 0.000 2.514 130 L HA 0.105 4.475 4.340 0.051 0.000 0.280 130 L C 1.112 177.633 176.870 -0.583 0.000 1.223 130 L CA -0.386 54.112 54.840 -0.569 0.000 0.864 130 L CB 0.178 41.779 42.059 -0.764 0.000 1.118 130 L HN 0.093 nan 8.230 nan 0.000 0.494 131 D N 1.351 121.463 120.400 -0.480 0.000 2.182 131 D HA -0.143 4.528 4.640 0.051 0.000 0.201 131 D C 1.974 178.002 176.300 -0.455 0.000 0.986 131 D CA 1.308 55.095 54.000 -0.356 0.000 0.847 131 D CB -0.009 40.623 40.800 -0.281 0.000 0.942 131 D HN 0.549 nan 8.370 nan 0.000 0.467 132 V N -1.398 118.088 119.914 -0.712 0.000 2.970 132 V HA -0.150 4.000 4.120 0.051 0.000 0.260 132 V C 1.170 176.681 176.094 -0.972 0.000 1.100 132 V CA 0.989 62.838 62.300 -0.751 0.000 1.122 132 V CB -1.117 30.223 31.823 -0.805 0.000 0.721 132 V HN 0.058 nan 8.190 nan 0.000 0.483 133 Y N 0.344 120.042 120.300 -1.004 0.000 2.571 133 Y HA 0.440 5.020 4.550 0.050 0.000 0.275 133 Y C 0.830 176.116 175.900 -1.023 0.000 1.179 133 Y CA -1.930 55.169 58.100 -1.667 0.000 1.242 133 Y CB -0.831 37.019 38.460 -1.016 0.000 1.126 133 Y HN 0.254 nan 8.280 nan 0.000 0.524 134 D N 0.782 120.892 120.400 -0.483 0.000 2.382 134 D HA 0.061 4.731 4.640 0.051 0.000 0.259 134 D C 1.368 177.385 176.300 -0.471 0.000 1.224 134 D CA 0.391 54.200 54.000 -0.319 0.000 0.894 134 D CB 1.326 42.082 40.800 -0.074 0.000 1.127 134 D HN 0.438 nan 8.370 nan 0.000 0.487 135 G N 4.136 112.060 108.800 -1.459 0.000 2.920 135 G HA2 -0.146 3.844 3.960 0.051 0.000 0.208 135 G HA3 -0.146 3.844 3.960 0.051 0.000 0.208 135 G C 1.456 175.812 174.900 -0.907 0.000 1.159 135 G CA -0.026 44.379 45.100 -1.157 0.000 0.784 135 G HN 0.601 nan 8.290 nan 0.000 0.535 136 R N -0.483 119.451 120.500 -0.944 0.000 2.115 136 R HA 0.030 4.401 4.340 0.051 0.000 0.226 136 R C 1.608 177.686 176.300 -0.371 0.000 1.100 136 R CA 0.871 56.652 56.100 -0.531 0.000 0.980 136 R CB -0.700 29.304 30.300 -0.494 0.000 0.875 136 R HN 0.309 nan 8.270 nan 0.000 0.445 137 F N 1.760 121.623 119.950 -0.144 0.000 2.146 137 F HA 0.027 4.585 4.527 0.051 0.000 0.298 137 F C 2.386 178.134 175.800 -0.086 0.000 1.096 137 F CA 0.888 58.829 58.000 -0.097 0.000 1.275 137 F CB -0.515 38.418 39.000 -0.112 0.000 1.008 137 F HN -0.138 nan 8.300 nan 0.000 0.480 138 L N -0.355 120.910 121.223 0.070 0.000 2.083 138 L HA -0.187 4.183 4.340 0.051 0.000 0.209 138 L C 2.671 179.555 176.870 0.022 0.000 1.083 138 L CA 1.111 55.952 54.840 0.001 0.000 0.752 138 L CB -0.867 41.149 42.059 -0.072 0.000 0.899 138 L HN 0.170 nan 8.230 nan 0.000 0.433 139 A N -1.072 121.767 122.820 0.032 0.000 1.873 139 A HA -0.213 4.137 4.320 0.051 0.000 0.215 139 A C 2.276 179.908 177.584 0.080 0.000 1.186 139 A CA 1.319 53.411 52.037 0.092 0.000 0.616 139 A CB -0.440 18.663 19.000 0.171 0.000 0.823 139 A HN 0.353 nan 8.150 nan 0.000 0.442 140 Q N 0.041 119.871 119.800 0.050 0.000 1.990 140 Q HA -0.093 4.277 4.340 0.051 0.000 0.200 140 Q C 2.255 178.287 176.000 0.054 0.000 0.980 140 Q CA 2.153 57.988 55.803 0.053 0.000 0.832 140 Q CB -0.458 28.293 28.738 0.022 0.000 0.897 140 Q HN 0.399 nan 8.270 nan 0.000 0.427 141 V N 1.361 121.306 119.914 0.053 0.000 2.323 141 V HA -0.147 4.003 4.120 0.051 0.000 0.244 141 V C 1.900 178.010 176.094 0.027 0.000 1.041 141 V CA 1.776 64.100 62.300 0.040 0.000 1.025 141 V CB -0.312 31.534 31.823 0.038 0.000 0.656 141 V HN 0.252 nan 8.190 nan 0.000 0.451 142 E N -0.355 119.859 120.200 0.024 0.000 2.474 142 E HA 0.192 4.572 4.350 0.051 0.000 0.195 142 E C 1.757 178.375 176.600 0.029 0.000 1.039 142 E CA 0.716 57.125 56.400 0.016 0.000 0.881 142 E CB 0.418 30.118 29.700 -0.000 0.000 0.970 142 E HN 0.625 nan 8.360 nan 0.000 0.486 143 G N 1.549 110.377 108.800 0.047 0.000 2.153 143 G HA2 -0.327 3.664 3.960 0.051 0.000 0.252 143 G HA3 -0.327 3.664 3.960 0.051 0.000 0.252 143 G C 0.563 175.507 174.900 0.073 0.000 0.994 143 G CA 0.419 45.557 45.100 0.062 0.000 0.698 143 G HN 0.495 nan 8.290 nan 0.000 0.521 144 A N -0.724 122.137 122.820 0.069 0.000 2.386 144 A HA 0.653 5.003 4.320 0.051 0.000 0.248 144 A C 0.589 178.253 177.584 0.134 0.000 1.082 144 A CA 0.261 52.344 52.037 0.077 0.000 0.789 144 A CB 1.011 20.037 19.000 0.044 0.000 1.025 144 A HN 1.118 nan 8.150 nan 0.000 0.490 145 V N 3.064 123.064 119.914 0.144 0.000 2.364 145 V HA 0.303 4.454 4.120 0.051 0.000 0.272 145 V C -0.069 176.160 176.094 0.224 0.000 1.036 145 V CA -0.022 62.396 62.300 0.196 0.000 0.880 145 V CB 0.610 32.539 31.823 0.176 0.000 0.991 145 V HN 0.707 nan 8.190 nan 0.000 0.460 146 L N 6.683 128.096 121.223 0.316 0.000 2.307 146 L HA 0.722 5.092 4.340 0.051 0.000 0.284 146 L C -0.643 176.525 176.870 0.497 0.000 1.023 146 L CA -0.126 54.951 54.840 0.394 0.000 0.810 146 L CB 1.721 43.998 42.059 0.363 0.000 1.231 146 L HN 0.431 nan 8.230 nan 0.000 0.423 147 V N 3.310 123.489 119.914 0.442 0.000 2.604 147 V HA 0.729 4.880 4.120 0.051 0.000 0.305 147 V C -0.431 175.930 176.094 0.444 0.000 1.043 147 V CA -0.428 62.092 62.300 0.368 0.000 0.888 147 V CB 1.918 33.873 31.823 0.219 0.000 0.995 147 V HN 0.862 nan 8.190 nan 0.000 0.429 148 S N 5.063 121.022 115.700 0.431 0.000 2.549 148 S HA 0.883 5.384 4.470 0.051 0.000 0.280 148 S C -0.831 173.934 174.600 0.276 0.000 1.109 148 S CA -0.835 57.616 58.200 0.419 0.000 0.905 148 S CB 2.314 65.887 63.200 0.622 0.000 1.081 148 S HN 0.869 nan 8.310 nan 0.000 0.477 149 M N 1.211 120.939 119.600 0.214 0.000 2.662 149 M HA 0.661 5.172 4.480 0.051 0.000 0.310 149 M C -1.709 174.816 176.300 0.375 0.000 1.204 149 M CA -0.560 54.859 55.300 0.199 0.000 0.891 149 M CB 1.128 33.677 32.600 -0.086 0.000 1.732 149 M HN 0.553 nan 8.290 nan 0.000 0.467 150 N N 2.123 121.097 118.700 0.457 0.000 2.498 150 N HA 0.625 5.396 4.740 0.051 0.000 0.287 150 N C -1.459 174.329 175.510 0.462 0.000 1.097 150 N CA 0.062 53.386 53.050 0.458 0.000 0.973 150 N CB 0.737 39.422 38.487 0.330 0.000 1.153 150 N HN 0.727 nan 8.380 nan 0.000 0.472 151 Y N -1.954 118.522 120.300 0.293 0.000 2.534 151 Y HA 0.556 5.136 4.550 0.050 0.000 0.345 151 Y C -0.114 175.908 175.900 0.204 0.000 1.031 151 Y CA -1.324 56.897 58.100 0.201 0.000 1.022 151 Y CB 0.963 39.469 38.460 0.077 0.000 1.292 151 Y HN 0.195 nan 8.280 nan 0.000 0.459 152 R N 1.947 122.584 120.500 0.227 0.000 2.623 152 R HA 0.459 4.829 4.340 0.051 0.000 0.271 152 R C -0.306 176.128 176.300 0.223 0.000 1.043 152 R CA -0.041 56.148 56.100 0.147 0.000 1.083 152 R CB 0.765 31.120 30.300 0.091 0.000 0.974 152 R HN 0.715 nan 8.270 nan 0.000 0.436 153 V N -0.384 119.708 119.914 0.297 0.000 3.158 153 V HA 0.896 5.046 4.120 0.051 0.000 0.315 153 V C 0.668 177.091 176.094 0.548 0.000 1.148 153 V CA -0.137 62.456 62.300 0.489 0.000 1.042 153 V CB 1.265 33.278 31.823 0.317 0.000 1.101 153 V HN 0.985 nan 8.190 nan 0.000 0.448 154 G N 1.821 110.995 108.800 0.624 0.000 2.575 154 G HA2 -0.259 3.731 3.960 0.051 0.000 0.267 154 G HA3 -0.259 3.731 3.960 0.051 0.000 0.267 154 G C 0.999 176.084 174.900 0.309 0.000 1.264 154 G CA 1.243 46.651 45.100 0.512 0.000 0.935 154 G HN 2.421 nan 8.290 nan 0.000 0.568 155 T N -1.809 112.657 114.554 -0.147 0.000 2.737 155 T HA -0.115 4.265 4.350 0.051 0.000 0.269 155 T C 2.097 176.704 174.700 -0.155 0.000 1.040 155 T CA 2.673 64.447 62.100 -0.544 0.000 1.142 155 T CB -0.394 67.990 68.868 -0.806 0.000 0.861 155 T HN 0.615 nan 8.240 nan 0.000 0.456 156 F N 2.058 122.098 119.950 0.150 0.000 2.186 156 F HA 0.263 4.820 4.527 0.050 0.000 0.299 156 F C 2.846 178.656 175.800 0.017 0.000 1.090 156 F CA 0.776 58.803 58.000 0.046 0.000 1.307 156 F CB -0.968 38.022 39.000 -0.017 0.000 1.019 156 F HN 0.352 nan 8.300 nan 0.000 0.489 157 G N -1.842 107.040 108.800 0.137 0.000 2.539 157 G HA2 -0.030 3.960 3.960 0.051 0.000 0.215 157 G HA3 -0.030 3.960 3.960 0.051 0.000 0.215 157 G C 0.917 175.375 174.900 -0.737 0.000 1.141 157 G CA 0.366 45.267 45.100 -0.332 0.000 0.806 157 G HN 0.349 nan 8.290 nan 0.000 0.533 158 F N -0.862 119.194 119.950 0.178 0.000 2.915 158 F HA 0.424 4.982 4.527 0.051 0.000 0.347 158 F C 0.478 176.370 175.800 0.154 0.000 1.104 158 F CA -1.050 57.030 58.000 0.133 0.000 1.126 158 F CB 0.277 39.355 39.000 0.131 0.000 1.145 158 F HN -0.089 nan 8.300 nan 0.000 0.541 159 L N 2.098 123.406 121.223 0.143 0.000 2.499 159 L HA 0.518 4.888 4.340 0.051 0.000 0.273 159 L C -0.031 176.818 176.870 -0.035 0.000 1.195 159 L CA 0.071 54.891 54.840 -0.034 0.000 0.882 159 L CB 0.448 42.176 42.059 -0.551 0.000 1.133 159 L HN 0.121 nan 8.230 nan 0.000 0.483 160 A N 6.125 128.964 122.820 0.031 0.000 2.398 160 A HA 0.687 5.038 4.320 0.051 0.000 0.301 160 A C -1.212 176.360 177.584 -0.019 0.000 1.041 160 A CA -0.557 51.486 52.037 0.008 0.000 0.711 160 A CB 1.298 20.335 19.000 0.061 0.000 1.240 160 A HN 0.677 nan 8.150 nan 0.000 0.420 161 L N 3.649 124.846 121.223 -0.044 0.000 2.387 161 L HA 0.350 4.720 4.340 0.051 0.000 0.259 161 L C -2.458 174.407 176.870 -0.009 0.000 1.050 161 L CA -1.550 53.272 54.840 -0.030 0.000 0.922 161 L CB 1.626 43.653 42.059 -0.053 0.000 1.280 161 L HN 0.403 nan 8.230 nan 0.000 0.449 162 P HA 0.161 nan 4.420 nan 0.000 0.265 162 P C 0.942 178.248 177.300 0.010 0.000 1.193 162 P CA 0.610 63.718 63.100 0.012 0.000 0.765 162 P CB 1.081 32.789 31.700 0.013 0.000 0.823 163 G N 1.836 110.646 108.800 0.015 0.000 2.284 163 G HA2 -0.245 3.745 3.960 0.051 0.000 0.230 163 G HA3 -0.245 3.745 3.960 0.051 0.000 0.230 163 G C 0.436 175.344 174.900 0.014 0.000 1.021 163 G CA 0.233 45.342 45.100 0.014 0.000 0.619 163 G HN 0.804 nan 8.290 nan 0.000 0.510 164 S N 0.228 115.934 115.700 0.010 0.000 2.593 164 S HA 0.575 5.076 4.470 0.051 0.000 0.269 164 S C 1.227 175.839 174.600 0.021 0.000 1.334 164 S CA 0.542 58.749 58.200 0.010 0.000 1.015 164 S CB 1.935 65.135 63.200 0.000 0.000 0.912 164 S HN 0.519 nan 8.310 nan 0.000 0.541 165 R N 0.660 121.174 120.500 0.024 0.000 2.127 165 R HA -0.020 4.351 4.340 0.051 0.000 0.217 165 R C 1.494 177.819 176.300 0.042 0.000 1.074 165 R CA 1.247 57.366 56.100 0.032 0.000 0.991 165 R CB -0.103 30.215 30.300 0.030 0.000 0.895 165 R HN 0.925 nan 8.270 nan 0.000 0.450 166 E N -0.834 119.392 120.200 0.043 0.000 2.460 166 E HA 0.062 4.442 4.350 0.051 0.000 0.200 166 E C -0.203 176.449 176.600 0.087 0.000 1.011 166 E CA 0.280 56.720 56.400 0.067 0.000 0.912 166 E CB 0.880 30.622 29.700 0.070 0.000 0.953 166 E HN 0.186 nan 8.360 nan 0.000 0.494 167 A N 2.690 125.533 122.820 0.039 0.000 3.317 167 A HA 0.370 4.721 4.320 0.051 0.000 0.307 167 A C -2.072 175.518 177.584 0.009 0.000 1.003 167 A CA -1.060 50.982 52.037 0.009 0.000 0.882 167 A CB 0.767 19.685 19.000 -0.137 0.000 1.136 167 A HN -0.072 nan 8.150 nan 0.000 0.488 168 P HA 0.101 nan 4.420 nan 0.000 0.230 168 P C 0.956 178.280 177.300 0.041 0.000 1.158 168 P CA 1.778 64.902 63.100 0.040 0.000 0.769 168 P CB 0.059 31.792 31.700 0.054 0.000 0.807 169 G N 0.919 109.742 108.800 0.038 0.000 2.781 169 G HA2 -0.219 3.771 3.960 0.051 0.000 0.683 169 G HA3 -0.219 3.771 3.960 0.051 0.000 0.683 169 G C -0.018 174.895 174.900 0.021 0.000 1.390 169 G CA -0.256 44.872 45.100 0.047 0.000 0.850 169 G HN 0.169 nan 8.290 nan 0.000 0.557 170 N N -2.512 116.201 118.700 0.022 0.000 2.753 170 N HA -0.285 4.486 4.740 0.051 0.000 0.251 170 N C 1.843 177.222 175.510 -0.218 0.000 1.097 170 N CA 2.439 55.432 53.050 -0.095 0.000 0.786 170 N CB -1.673 36.683 38.487 -0.220 0.000 1.137 170 N HN 1.926 nan 8.380 nan 0.000 0.566 171 V N -2.556 117.229 119.914 -0.214 0.000 2.515 171 V HA 0.023 4.174 4.120 0.051 0.000 0.250 171 V C 2.318 178.286 176.094 -0.209 0.000 1.058 171 V CA 2.278 64.489 62.300 -0.148 0.000 1.064 171 V CB -0.905 30.887 31.823 -0.052 0.000 0.675 171 V HN 0.261 nan 8.190 nan 0.000 0.461 172 G N 0.469 108.946 108.800 -0.539 0.000 2.450 172 G HA2 -0.156 3.834 3.960 0.051 0.000 0.220 172 G HA3 -0.156 3.834 3.960 0.051 0.000 0.220 172 G C 1.539 176.380 174.900 -0.098 0.000 1.130 172 G CA 1.260 46.169 45.100 -0.318 0.000 0.760 172 G HN 0.555 nan 8.290 nan 0.000 0.557 173 L N -0.292 120.822 121.223 -0.182 0.000 2.131 173 L HA 0.125 4.496 4.340 0.051 0.000 0.206 173 L C 2.809 179.696 176.870 0.028 0.000 1.087 173 L CA 0.245 54.952 54.840 -0.222 0.000 0.767 173 L CB -0.318 41.261 42.059 -0.800 0.000 0.917 173 L HN 0.161 nan 8.230 nan 0.000 0.441 174 L N -0.331 120.920 121.223 0.048 0.000 2.083 174 L HA -0.222 4.148 4.340 0.051 0.000 0.209 174 L C 2.215 179.208 176.870 0.205 0.000 1.083 174 L CA 0.972 55.939 54.840 0.212 0.000 0.752 174 L CB -0.649 41.512 42.059 0.169 0.000 0.899 174 L HN 0.296 nan 8.230 nan 0.000 0.433 175 D N -0.045 120.464 120.400 0.180 0.000 2.092 175 D HA -0.213 4.457 4.640 0.051 0.000 0.193 175 D C 2.265 178.693 176.300 0.213 0.000 0.994 175 D CA 1.218 55.408 54.000 0.317 0.000 0.828 175 D CB -0.263 40.750 40.800 0.355 0.000 0.963 175 D HN 0.382 nan 8.370 nan 0.000 0.450 176 Q N 0.140 119.996 119.800 0.094 0.000 2.061 176 Q HA -0.175 4.196 4.340 0.051 0.000 0.204 176 Q C 2.312 178.272 176.000 -0.066 0.000 0.984 176 Q CA 1.319 57.093 55.803 -0.049 0.000 0.846 176 Q CB -0.105 28.616 28.738 -0.029 0.000 0.902 176 Q HN 0.207 nan 8.270 nan 0.000 0.421 177 R N 0.491 121.067 120.500 0.126 0.000 2.091 177 R HA -0.190 4.180 4.340 0.051 0.000 0.238 177 R C 2.242 178.583 176.300 0.068 0.000 1.136 177 R CA 1.195 57.362 56.100 0.113 0.000 0.959 177 R CB -0.308 30.173 30.300 0.302 0.000 0.856 177 R HN 0.234 nan 8.270 nan 0.000 0.437 178 L N 0.919 122.214 121.223 0.120 0.000 2.042 178 L HA -0.111 4.260 4.340 0.051 0.000 0.210 178 L C 2.294 179.196 176.870 0.053 0.000 1.076 178 L CA 2.222 57.164 54.840 0.170 0.000 0.749 178 L CB -0.812 41.453 42.059 0.342 0.000 0.893 178 L HN 0.289 nan 8.230 nan 0.000 0.432 179 A N -1.077 121.534 122.820 -0.348 0.000 1.933 179 A HA -0.167 4.183 4.320 0.051 0.000 0.218 179 A C 2.121 179.646 177.584 -0.099 0.000 1.175 179 A CA 1.819 53.525 52.037 -0.552 0.000 0.628 179 A CB -0.755 17.665 19.000 -0.965 0.000 0.814 179 A HN 0.432 nan 8.150 nan 0.000 0.444 180 L N -0.559 120.615 121.223 -0.082 0.000 2.093 180 L HA -0.150 4.220 4.340 0.051 0.000 0.208 180 L C 2.619 179.539 176.870 0.082 0.000 1.085 180 L CA 1.885 56.721 54.840 -0.007 0.000 0.755 180 L CB -0.815 41.193 42.059 -0.086 0.000 0.904 180 L HN 0.455 nan 8.230 nan 0.000 0.435 181 Q N -2.425 117.436 119.800 0.101 0.000 2.119 181 Q HA -0.244 4.126 4.340 0.051 0.000 0.201 181 Q C 2.083 178.175 176.000 0.154 0.000 0.972 181 Q CA 1.719 57.592 55.803 0.116 0.000 0.847 181 Q CB -0.337 28.473 28.738 0.120 0.000 0.903 181 Q HN 0.569 nan 8.270 nan 0.000 0.433 182 W N 0.269 121.590 121.300 0.036 0.000 2.335 182 W HA -0.252 4.438 4.660 0.051 0.000 0.311 182 W C 1.836 178.395 176.519 0.067 0.000 1.213 182 W CA 1.433 58.821 57.345 0.071 0.000 1.274 182 W CB -0.177 29.332 29.460 0.083 0.000 1.148 182 W HN -0.130 nan 8.180 nan 0.000 0.498 183 V N 0.849 121.019 119.914 0.426 0.000 2.287 183 V HA -0.362 3.788 4.120 0.051 0.000 0.248 183 V C 2.554 178.697 176.094 0.081 0.000 1.053 183 V CA 2.108 64.578 62.300 0.284 0.000 1.027 183 V CB -1.061 30.918 31.823 0.260 0.000 0.646 183 V HN 0.224 nan 8.190 nan 0.000 0.447 184 Q N -0.019 119.823 119.800 0.070 0.000 2.061 184 Q HA -0.233 4.137 4.340 0.051 0.000 0.204 184 Q C 2.219 178.199 176.000 -0.033 0.000 0.984 184 Q CA 1.890 57.714 55.803 0.035 0.000 0.846 184 Q CB -0.342 28.421 28.738 0.041 0.000 0.902 184 Q HN 0.738 nan 8.270 nan 0.000 0.421 185 E N -0.306 119.837 120.200 -0.095 0.000 2.216 185 E HA -0.040 4.340 4.350 0.051 0.000 0.192 185 E C 1.247 177.692 176.600 -0.258 0.000 0.988 185 E CA 0.533 56.836 56.400 -0.162 0.000 0.834 185 E CB 0.185 29.778 29.700 -0.179 0.000 0.772 185 E HN 0.342 nan 8.360 nan 0.000 0.479 186 N N -0.155 118.309 118.700 -0.393 0.000 2.239 186 N HA 0.032 4.802 4.740 0.051 0.000 0.208 186 N C 1.480 176.898 175.510 -0.153 0.000 1.200 186 N CA 0.027 52.785 53.050 -0.486 0.000 0.895 186 N CB 0.520 38.247 38.487 -1.266 0.000 1.085 186 N HN 0.030 nan 8.380 nan 0.000 0.500 187 I N 2.497 123.048 120.570 -0.031 0.000 2.394 187 I HA -0.075 4.126 4.170 0.051 0.000 0.251 187 I C 2.175 178.415 176.117 0.205 0.000 1.136 187 I CA 0.629 62.044 61.300 0.193 0.000 1.425 187 I CB -0.305 37.789 38.000 0.158 0.000 1.079 187 I HN 0.055 nan 8.210 nan 0.000 0.425 188 A N 0.305 123.170 122.820 0.074 0.000 2.032 188 A HA -0.191 4.159 4.320 0.051 0.000 0.221 188 A C 2.455 180.043 177.584 0.006 0.000 1.165 188 A CA 1.749 53.808 52.037 0.037 0.000 0.645 188 A CB -1.104 17.892 19.000 -0.007 0.000 0.807 188 A HN 0.485 nan 8.150 nan 0.000 0.453 189 A N -1.619 121.173 122.820 -0.047 0.000 2.067 189 A HA 0.123 4.474 4.320 0.051 0.000 0.219 189 A C 1.507 178.880 177.584 -0.351 0.000 1.158 189 A CA 1.117 53.011 52.037 -0.238 0.000 0.661 189 A CB -0.575 18.186 19.000 -0.398 0.000 0.801 189 A HN 0.501 nan 8.150 nan 0.000 0.452 190 F N -1.329 118.575 119.950 -0.078 0.000 2.727 190 F HA 0.385 4.943 4.527 0.051 0.000 0.302 190 F C 1.802 177.607 175.800 0.008 0.000 1.097 190 F CA 0.479 58.440 58.000 -0.065 0.000 1.330 190 F CB 0.271 39.243 39.000 -0.048 0.000 1.084 190 F HN 0.322 nan 8.300 nan 0.000 0.578 191 G N 0.097 108.981 108.800 0.140 0.000 2.175 191 G HA2 -0.200 3.791 3.960 0.051 0.000 0.244 191 G HA3 -0.200 3.791 3.960 0.051 0.000 0.244 191 G C 0.749 175.717 174.900 0.114 0.000 0.982 191 G CA -0.286 44.877 45.100 0.104 0.000 0.641 191 G HN 0.717 nan 8.290 nan 0.000 0.527 192 G N -0.277 108.616 108.800 0.154 0.000 2.527 192 G HA2 0.431 4.421 3.960 0.051 0.000 0.248 192 G HA3 0.431 4.421 3.960 0.051 0.000 0.248 192 G C -0.559 174.392 174.900 0.084 0.000 1.231 192 G CA 0.467 45.644 45.100 0.128 0.000 0.838 192 G HN 0.241 nan 8.290 nan 0.000 0.570 193 D N 1.621 122.059 120.400 0.063 0.000 2.443 193 D HA 0.271 4.942 4.640 0.051 0.000 0.221 193 D C -1.129 175.200 176.300 0.047 0.000 1.097 193 D CA -2.376 51.643 54.000 0.032 0.000 0.865 193 D CB 1.817 42.615 40.800 -0.003 0.000 1.034 193 D HN 0.065 nan 8.370 nan 0.000 0.511 194 P HA -0.078 nan 4.420 nan 0.000 0.230 194 P C 1.158 178.551 177.300 0.154 0.000 1.158 194 P CA 0.627 63.791 63.100 0.105 0.000 0.769 194 P CB 0.182 31.926 31.700 0.073 0.000 0.807 195 M N -1.293 118.323 119.600 0.026 0.000 2.561 195 M HA 0.088 4.599 4.480 0.051 0.000 0.238 195 M C 0.657 176.611 176.300 -0.577 0.000 1.131 195 M CA 0.504 55.723 55.300 -0.135 0.000 1.046 195 M CB 0.130 32.667 32.600 -0.106 0.000 1.532 195 M HN -0.167 nan 8.290 nan 0.000 0.497 196 S N 1.050 116.575 115.700 -0.291 0.000 2.312 196 S HA 0.434 4.935 4.470 0.051 0.000 0.173 196 S C -1.011 173.612 174.600 0.039 0.000 1.488 196 S CA -0.504 57.539 58.200 -0.262 0.000 1.239 196 S CB 0.501 63.600 63.200 -0.169 0.000 1.215 196 S HN 0.009 nan 8.310 nan 0.000 0.438 197 V N 3.852 123.963 119.914 0.327 0.000 2.448 197 V HA 0.579 4.729 4.120 0.051 0.000 0.295 197 V C -0.060 176.223 176.094 0.315 0.000 1.025 197 V CA -0.471 62.019 62.300 0.318 0.000 0.859 197 V CB 1.971 33.990 31.823 0.325 0.000 0.988 197 V HN 0.721 nan 8.190 nan 0.000 0.431 198 T N 6.341 121.022 114.554 0.211 0.000 2.786 198 T HA 0.574 4.954 4.350 0.051 0.000 0.283 198 T C -0.286 174.553 174.700 0.231 0.000 0.992 198 T CA -0.378 61.846 62.100 0.208 0.000 0.954 198 T CB 0.905 69.838 68.868 0.109 0.000 0.934 198 T HN 0.352 nan 8.240 nan 0.000 0.440 199 L N 5.079 126.421 121.223 0.198 0.000 2.331 199 L HA 0.602 4.972 4.340 0.051 0.000 0.278 199 L C -0.340 176.739 176.870 0.349 0.000 1.106 199 L CA -0.747 54.181 54.840 0.147 0.000 0.824 199 L CB 0.108 42.048 42.059 -0.198 0.000 1.142 199 L HN 0.598 nan 8.230 nan 0.000 0.443 200 F N 0.752 120.769 119.950 0.112 0.000 2.588 200 F HA 0.991 5.548 4.527 0.050 0.000 0.314 200 F C -0.129 175.637 175.800 -0.057 0.000 1.069 200 F CA -1.891 56.211 58.000 0.170 0.000 0.931 200 F CB 1.577 40.827 39.000 0.416 0.000 1.260 200 F HN 0.453 nan 8.300 nan 0.000 0.465 201 G N 0.782 109.444 108.800 -0.230 0.000 2.601 201 G HA2 0.485 4.475 3.960 0.051 0.000 0.291 201 G HA3 0.485 4.475 3.960 0.051 0.000 0.291 201 G C -2.521 172.149 174.900 -0.383 0.000 1.456 201 G CA -0.789 43.778 45.100 -0.888 0.000 0.804 201 G HN 0.869 nan 8.290 nan 0.000 0.499 202 E N 0.276 120.215 120.200 -0.435 0.000 2.266 202 E HA 0.643 5.023 4.350 0.051 0.000 0.268 202 E C 0.610 177.142 176.600 -0.112 0.000 0.879 202 E CA 0.262 56.623 56.400 -0.065 0.000 0.762 202 E CB 2.222 32.024 29.700 0.169 0.000 1.199 202 E HN 0.888 nan 8.360 nan 0.000 0.422 203 S N 2.569 118.274 115.700 0.008 0.000 4.114 203 S HA -0.391 4.109 4.470 0.051 0.000 0.618 203 S C 1.452 176.135 174.600 0.137 0.000 1.937 203 S CA 2.105 60.393 58.200 0.147 0.000 4.228 203 S CB -1.592 61.646 63.200 0.064 0.000 0.216 203 S HN 0.966 nan 8.310 nan 0.000 0.528 204 A N 0.932 123.683 122.820 -0.115 0.000 2.024 204 A HA 0.156 4.506 4.320 0.051 0.000 0.220 204 A C 2.416 179.712 177.584 -0.481 0.000 1.164 204 A CA 2.385 54.136 52.037 -0.477 0.000 0.643 204 A CB -1.476 16.867 19.000 -1.094 0.000 0.806 204 A HN 1.556 nan 8.150 nan 0.000 0.451 205 G N -0.802 107.784 108.800 -0.356 0.000 2.421 205 G HA2 0.093 4.083 3.960 0.051 0.000 0.217 205 G HA3 0.093 4.083 3.960 0.051 0.000 0.217 205 G C 1.645 176.358 174.900 -0.311 0.000 1.143 205 G CA 1.156 46.008 45.100 -0.413 0.000 0.784 205 G HN 0.730 nan 8.290 nan 0.000 0.541 206 A N 1.192 123.901 122.820 -0.186 0.000 1.897 206 A HA 0.388 4.738 4.320 0.051 0.000 0.215 206 A C 2.794 180.345 177.584 -0.055 0.000 1.181 206 A CA 1.901 53.889 52.037 -0.081 0.000 0.620 206 A CB -0.724 18.286 19.000 0.017 0.000 0.821 206 A HN 0.677 nan 8.150 nan 0.000 0.443 207 A N -0.279 122.524 122.820 -0.029 0.000 1.908 207 A HA -0.109 4.241 4.320 0.051 0.000 0.218 207 A C 2.437 180.010 177.584 -0.019 0.000 1.181 207 A CA 2.178 54.188 52.037 -0.046 0.000 0.627 207 A CB -0.887 18.081 19.000 -0.053 0.000 0.818 207 A HN 0.447 nan 8.150 nan 0.000 0.445 208 S N -0.404 115.283 115.700 -0.021 0.000 2.356 208 S HA -0.151 4.349 4.470 0.051 0.000 0.223 208 S C 1.919 176.477 174.600 -0.072 0.000 1.032 208 S CA 1.462 59.617 58.200 -0.075 0.000 1.005 208 S CB -0.621 62.483 63.200 -0.160 0.000 0.867 208 S HN 0.368 nan 8.310 nan 0.000 0.449 209 V N 1.772 121.654 119.914 -0.055 0.000 2.324 209 V HA -0.234 3.917 4.120 0.051 0.000 0.250 209 V C 2.602 178.682 176.094 -0.024 0.000 1.060 209 V CA 2.082 64.353 62.300 -0.049 0.000 1.042 209 V CB -1.557 30.213 31.823 -0.088 0.000 0.650 209 V HN 0.612 nan 8.190 nan 0.000 0.450 210 G N -1.229 107.552 108.800 -0.031 0.000 2.408 210 G HA2 -0.243 3.747 3.960 0.051 0.000 0.217 210 G HA3 -0.243 3.747 3.960 0.051 0.000 0.217 210 G C 1.614 176.522 174.900 0.013 0.000 1.150 210 G CA 0.953 46.042 45.100 -0.019 0.000 0.776 210 G HN 0.448 nan 8.290 nan 0.000 0.542 211 M N -0.096 119.492 119.600 -0.020 0.000 2.175 211 M HA 0.001 4.511 4.480 0.051 0.000 0.264 211 M C 2.351 178.709 176.300 0.096 0.000 1.063 211 M CA 0.936 56.253 55.300 0.028 0.000 1.119 211 M CB -0.253 32.327 32.600 -0.034 0.000 1.377 211 M HN 0.208 nan 8.290 nan 0.000 0.415 212 H N -0.036 119.133 119.070 0.165 0.000 2.353 212 H HA -0.059 4.527 4.556 0.050 0.000 0.300 212 H C 2.147 177.655 175.328 0.300 0.000 1.090 212 H CA 1.607 57.746 56.048 0.151 0.000 1.327 212 H CB -0.489 29.206 29.762 -0.112 0.000 1.383 212 H HN 0.408 nan 8.280 nan 0.000 0.508 213 I N 0.760 121.576 120.570 0.410 0.000 2.208 213 I HA -0.264 3.936 4.170 0.051 0.000 0.245 213 I C 1.942 178.241 176.117 0.304 0.000 1.097 213 I CA 1.192 62.750 61.300 0.429 0.000 1.363 213 I CB -0.172 37.981 38.000 0.255 0.000 1.051 213 I HN 0.105 nan 8.210 nan 0.000 0.413 214 L N -0.875 120.475 121.223 0.211 0.000 2.592 214 L HA 0.105 4.475 4.340 0.051 0.000 0.227 214 L C 0.862 177.777 176.870 0.074 0.000 1.127 214 L CA 0.027 54.967 54.840 0.168 0.000 0.884 214 L CB -0.025 42.113 42.059 0.132 0.000 1.065 214 L HN 0.025 nan 8.230 nan 0.000 0.457 215 S N -0.322 115.390 115.700 0.020 0.000 2.566 215 S HA 0.276 4.776 4.470 0.051 0.000 0.324 215 S C 0.652 175.181 174.600 -0.118 0.000 1.081 215 S CA -0.605 57.490 58.200 -0.175 0.000 1.105 215 S CB 1.385 64.197 63.200 -0.647 0.000 0.981 215 S HN 0.107 nan 8.310 nan 0.000 0.464 216 L N 7.117 128.279 121.223 -0.102 0.000 2.013 216 L HA 0.061 4.431 4.340 0.051 0.000 0.212 216 L C -0.977 175.851 176.870 -0.070 0.000 1.073 216 L CA 2.137 56.936 54.840 -0.069 0.000 0.753 216 L CB -0.987 41.032 42.059 -0.066 0.000 0.890 216 L HN 0.508 nan 8.230 nan 0.000 0.432 217 P HA -0.108 nan 4.420 nan 0.000 0.221 217 P C 1.550 178.841 177.300 -0.015 0.000 1.145 217 P CA 1.333 64.393 63.100 -0.066 0.000 0.795 217 P CB 0.021 31.667 31.700 -0.091 0.000 0.775 218 S N -1.166 114.546 115.700 0.020 0.000 2.470 218 S HA 0.026 4.526 4.470 0.051 0.000 0.225 218 S C 1.793 176.525 174.600 0.220 0.000 1.006 218 S CA 0.413 58.724 58.200 0.185 0.000 0.934 218 S CB -0.308 63.126 63.200 0.390 0.000 0.778 218 S HN 0.097 nan 8.310 nan 0.000 0.517 219 R N 1.954 122.487 120.500 0.054 0.000 2.148 219 R HA 0.021 4.391 4.340 0.051 0.000 0.227 219 R C 2.256 178.366 176.300 -0.316 0.000 1.103 219 R CA 1.224 57.202 56.100 -0.204 0.000 0.983 219 R CB -1.032 29.174 30.300 -0.156 0.000 0.874 219 R HN 0.563 nan 8.270 nan 0.000 0.451 220 S N -0.074 115.533 115.700 -0.155 0.000 2.607 220 S HA 0.061 4.561 4.470 0.051 0.000 0.224 220 S C 1.599 176.112 174.600 -0.144 0.000 0.969 220 S CA 0.291 58.400 58.200 -0.152 0.000 0.927 220 S CB -0.157 62.998 63.200 -0.075 0.000 0.772 220 S HN 0.227 nan 8.310 nan 0.000 0.533 221 L N 0.505 121.679 121.223 -0.081 0.000 2.693 221 L HA 0.517 4.887 4.340 0.051 0.000 0.235 221 L C -0.101 176.824 176.870 0.090 0.000 1.127 221 L CA -0.443 54.414 54.840 0.028 0.000 0.914 221 L CB -0.006 42.112 42.059 0.099 0.000 1.193 221 L HN 0.523 nan 8.230 nan 0.000 0.502 222 F N -4.046 115.708 119.950 -0.326 0.000 2.770 222 F HA 0.427 4.985 4.527 0.051 0.000 0.313 222 F C 0.104 175.584 175.800 -0.534 0.000 1.154 222 F CA -0.991 56.814 58.000 -0.326 0.000 0.923 222 F CB 0.791 39.734 39.000 -0.094 0.000 1.301 222 F HN -0.137 nan 8.300 nan 0.000 0.449 223 H N -0.373 118.714 119.070 0.029 0.000 2.926 223 H HA 0.437 5.023 4.556 0.050 0.000 0.249 223 H C -0.103 175.219 175.328 -0.010 0.000 0.963 223 H CA -0.100 55.891 56.048 -0.095 0.000 1.158 223 H CB 1.022 30.748 29.762 -0.060 0.000 1.445 223 H HN 0.421 nan 8.280 nan 0.000 0.452 224 R N 0.358 121.022 120.500 0.272 0.000 2.836 224 R HA 0.737 5.107 4.340 0.051 0.000 0.269 224 R C -1.310 175.251 176.300 0.436 0.000 1.010 224 R CA -0.683 55.553 56.100 0.226 0.000 0.930 224 R CB 2.867 33.090 30.300 -0.129 0.000 1.218 224 R HN 0.143 nan 8.270 nan 0.000 0.473 225 A N 0.981 124.082 122.820 0.468 0.000 2.515 225 A HA 0.684 5.034 4.320 0.051 0.000 0.298 225 A C -1.429 176.326 177.584 0.285 0.000 1.059 225 A CA -0.628 51.616 52.037 0.345 0.000 0.698 225 A CB 1.878 21.039 19.000 0.269 0.000 1.289 225 A HN 0.320 nan 8.150 nan 0.000 0.404 226 V N 2.015 122.043 119.914 0.191 0.000 2.483 226 V HA 0.507 4.657 4.120 0.051 0.000 0.297 226 V C -1.194 174.983 176.094 0.139 0.000 1.027 226 V CA -0.334 62.011 62.300 0.075 0.000 0.855 226 V CB 1.194 33.079 31.823 0.102 0.000 0.995 226 V HN 0.671 nan 8.190 nan 0.000 0.424 227 L N 5.126 126.401 121.223 0.085 0.000 2.318 227 L HA 0.534 4.905 4.340 0.051 0.000 0.277 227 L C 0.010 176.968 176.870 0.145 0.000 1.008 227 L CA -0.017 54.871 54.840 0.081 0.000 0.846 227 L CB 1.491 43.555 42.059 0.009 0.000 1.220 227 L HN 0.628 nan 8.230 nan 0.000 0.423 228 Q N 1.878 121.813 119.800 0.224 0.000 2.340 228 Q HA 0.457 4.827 4.340 0.051 0.000 0.259 228 Q C 0.209 176.322 176.000 0.188 0.000 0.964 228 Q CA -0.508 55.479 55.803 0.308 0.000 0.900 228 Q CB 1.290 30.296 28.738 0.446 0.000 1.228 228 Q HN 0.630 nan 8.270 nan 0.000 0.449 229 S N 1.006 116.805 115.700 0.166 0.000 3.614 229 S HA -0.167 4.333 4.470 0.051 0.000 0.360 229 S C 0.029 174.816 174.600 0.312 0.000 1.023 229 S CA 0.551 58.881 58.200 0.216 0.000 1.114 229 S CB -1.205 62.102 63.200 0.177 0.000 0.907 229 S HN 1.000 nan 8.310 nan 0.000 0.470 230 G N -0.552 108.388 108.800 0.233 0.000 2.519 230 G HA2 0.649 4.639 3.960 0.051 0.000 0.292 230 G HA3 0.649 4.639 3.960 0.051 0.000 0.292 230 G C -0.955 174.001 174.900 0.093 0.000 1.507 230 G CA 0.196 45.487 45.100 0.318 0.000 0.806 230 G HN 0.985 nan 8.290 nan 0.000 0.523 231 T N -1.388 113.143 114.554 -0.038 0.000 2.889 231 T HA 0.719 5.100 4.350 0.051 0.000 0.315 231 T C -2.342 172.192 174.700 -0.277 0.000 1.291 231 T CA -1.225 60.785 62.100 -0.150 0.000 1.028 231 T CB 2.931 71.703 68.868 -0.161 0.000 1.235 231 T HN 0.302 nan 8.240 nan 0.000 0.491 232 P HA -0.048 nan 4.420 nan 0.000 0.217 232 P C 0.328 177.467 177.300 -0.269 0.000 1.151 232 P CA 0.801 63.775 63.100 -0.211 0.000 0.828 232 P CB -0.151 31.481 31.700 -0.114 0.000 0.788 233 N N 0.760 119.321 118.700 -0.231 0.000 2.354 233 N HA 0.274 5.044 4.740 0.051 0.000 0.246 233 N C 0.809 176.117 175.510 -0.337 0.000 1.285 233 N CA 0.747 53.662 53.050 -0.225 0.000 0.925 233 N CB 0.203 38.603 38.487 -0.145 0.000 1.174 233 N HN 0.246 nan 8.380 nan 0.000 0.478 234 G N -0.532 108.091 108.800 -0.295 0.000 2.525 234 G HA2 -0.113 3.877 3.960 0.051 0.000 0.685 234 G HA3 -0.113 3.877 3.960 0.051 0.000 0.685 234 G C -2.285 172.386 174.900 -0.382 0.000 1.290 234 G CA -0.245 44.639 45.100 -0.361 0.000 0.915 234 G HN 0.522 nan 8.290 nan 0.000 0.548 235 P HA 0.121 nan 4.420 nan 0.000 0.236 235 P C 1.427 178.667 177.300 -0.100 0.000 1.177 235 P CA 2.006 64.976 63.100 -0.217 0.000 0.773 235 P CB -0.048 31.478 31.700 -0.291 0.000 0.878 236 W N -1.678 119.518 121.300 -0.174 0.000 2.873 236 W HA 0.553 5.243 4.660 0.050 0.000 0.282 236 W C 1.165 177.757 176.519 0.123 0.000 1.118 236 W CA 0.456 57.780 57.345 -0.035 0.000 1.480 236 W CB -0.815 28.638 29.460 -0.013 0.000 0.954 236 W HN -0.171 nan 8.180 nan 0.000 0.591 237 A N 2.004 124.500 122.820 -0.540 0.000 2.066 237 A HA 0.090 4.440 4.320 0.051 0.000 0.218 237 A C 1.179 178.643 177.584 -0.200 0.000 1.157 237 A CA 1.938 53.734 52.037 -0.402 0.000 0.670 237 A CB -0.861 17.649 19.000 -0.816 0.000 0.804 237 A HN 0.258 nan 8.150 nan 0.000 0.453 238 T N -3.125 111.308 114.554 -0.202 0.000 2.896 238 T HA 0.604 4.984 4.350 0.051 0.000 0.297 238 T C -0.621 174.012 174.700 -0.113 0.000 1.108 238 T CA -0.135 61.855 62.100 -0.184 0.000 1.004 238 T CB 1.457 70.222 68.868 -0.173 0.000 1.159 238 T HN 0.872 nan 8.240 nan 0.000 0.499 239 V N -0.723 119.131 119.914 -0.101 0.000 2.960 239 V HA 0.910 5.061 4.120 0.051 0.000 0.315 239 V C 0.402 176.462 176.094 -0.056 0.000 1.087 239 V CA -0.808 61.451 62.300 -0.068 0.000 0.982 239 V CB 1.318 33.104 31.823 -0.062 0.000 1.039 239 V HN 1.355 nan 8.190 nan 0.000 0.437 240 S N 1.894 117.569 115.700 -0.042 0.000 2.608 240 S HA 0.572 5.072 4.470 0.051 0.000 0.261 240 S C 1.357 175.944 174.600 -0.021 0.000 1.314 240 S CA 0.087 58.269 58.200 -0.030 0.000 0.992 240 S CB 1.107 64.292 63.200 -0.026 0.000 0.935 240 S HN 1.862 nan 8.310 nan 0.000 0.564 241 A N 1.470 124.283 122.820 -0.012 0.000 1.898 241 A HA 0.165 4.516 4.320 0.051 0.000 0.216 241 A C 2.233 179.814 177.584 -0.005 0.000 1.181 241 A CA 1.563 53.597 52.037 -0.004 0.000 0.620 241 A CB -1.860 17.141 19.000 0.001 0.000 0.819 241 A HN 1.136 nan 8.150 nan 0.000 0.442 242 G N -0.288 108.507 108.800 -0.009 0.000 2.446 242 G HA2 -0.297 3.694 3.960 0.051 0.000 0.217 242 G HA3 -0.297 3.694 3.960 0.051 0.000 0.217 242 G C 1.469 176.361 174.900 -0.013 0.000 1.168 242 G CA 1.453 46.547 45.100 -0.010 0.000 0.771 242 G HN 0.583 nan 8.290 nan 0.000 0.551 243 E N 0.798 120.986 120.200 -0.020 0.000 2.208 243 E HA 0.140 4.520 4.350 0.051 0.000 0.193 243 E C 2.574 179.153 176.600 -0.035 0.000 0.988 243 E CA 1.269 57.652 56.400 -0.030 0.000 0.828 243 E CB -0.422 29.255 29.700 -0.037 0.000 0.763 243 E HN 0.304 nan 8.360 nan 0.000 0.478 244 A N 0.849 123.657 122.820 -0.020 0.000 1.873 244 A HA -0.129 4.221 4.320 0.051 0.000 0.215 244 A C 2.270 179.870 177.584 0.028 0.000 1.186 244 A CA 1.582 53.621 52.037 0.004 0.000 0.616 244 A CB -0.589 18.426 19.000 0.024 0.000 0.823 244 A HN 0.275 nan 8.150 nan 0.000 0.442 245 R N -0.362 120.146 120.500 0.013 0.000 2.091 245 R HA -0.152 4.219 4.340 0.051 0.000 0.238 245 R C 2.410 178.718 176.300 0.014 0.000 1.136 245 R CA 1.750 57.857 56.100 0.011 0.000 0.959 245 R CB -0.310 29.991 30.300 0.002 0.000 0.856 245 R HN 0.515 nan 8.270 nan 0.000 0.437 246 R N 0.461 120.964 120.500 0.005 0.000 2.073 246 R HA -0.073 4.297 4.340 0.051 0.000 0.229 246 R C 2.128 178.437 176.300 0.015 0.000 1.120 246 R CA 1.423 57.525 56.100 0.004 0.000 0.967 246 R CB -0.119 30.176 30.300 -0.008 0.000 0.862 246 R HN 0.264 nan 8.270 nan 0.000 0.436 247 R N -0.036 120.465 120.500 0.001 0.000 2.096 247 R HA -0.059 4.312 4.340 0.051 0.000 0.235 247 R C 2.316 178.724 176.300 0.179 0.000 1.127 247 R CA 1.398 57.496 56.100 -0.004 0.000 0.968 247 R CB -0.283 29.884 30.300 -0.222 0.000 0.861 247 R HN 0.255 nan 8.270 nan 0.000 0.440 248 A N 0.386 123.334 122.820 0.212 0.000 1.929 248 A HA -0.103 4.247 4.320 0.051 0.000 0.216 248 A C 2.136 179.757 177.584 0.062 0.000 1.176 248 A CA 1.640 53.787 52.037 0.183 0.000 0.628 248 A CB -0.609 18.428 19.000 0.062 0.000 0.816 248 A HN 0.240 nan 8.150 nan 0.000 0.444 249 T N 0.281 114.859 114.554 0.039 0.000 2.746 249 T HA -0.132 4.248 4.350 0.051 0.000 0.267 249 T C 1.831 176.546 174.700 0.025 0.000 1.039 249 T CA 1.479 63.588 62.100 0.015 0.000 1.142 249 T CB -0.373 68.500 68.868 0.008 0.000 0.866 249 T HN 0.279 nan 8.240 nan 0.000 0.444 250 L N 1.164 122.415 121.223 0.045 0.000 2.012 250 L HA 0.034 4.404 4.340 0.051 0.000 0.210 250 L C 2.253 179.161 176.870 0.064 0.000 1.073 250 L CA 1.539 56.410 54.840 0.051 0.000 0.748 250 L CB -1.066 41.029 42.059 0.061 0.000 0.891 250 L HN 0.225 nan 8.230 nan 0.000 0.431 251 L N -0.476 120.818 121.223 0.119 0.000 2.042 251 L HA -0.159 4.211 4.340 0.051 0.000 0.210 251 L C 2.470 179.352 176.870 0.019 0.000 1.076 251 L CA 1.966 56.877 54.840 0.118 0.000 0.749 251 L CB -0.662 41.519 42.059 0.204 0.000 0.893 251 L HN 0.307 nan 8.230 nan 0.000 0.432 252 A N -0.427 122.394 122.820 0.001 0.000 1.933 252 A HA -0.243 4.107 4.320 0.051 0.000 0.218 252 A C 2.509 180.078 177.584 -0.025 0.000 1.175 252 A CA 1.733 53.756 52.037 -0.022 0.000 0.628 252 A CB -0.705 18.276 19.000 -0.032 0.000 0.814 252 A HN 0.511 nan 8.150 nan 0.000 0.444 253 R N -0.144 120.344 120.500 -0.020 0.000 2.081 253 R HA -0.079 4.291 4.340 0.051 0.000 0.235 253 R C 1.933 178.196 176.300 -0.061 0.000 1.131 253 R CA 1.613 57.697 56.100 -0.027 0.000 0.960 253 R CB -0.444 29.848 30.300 -0.013 0.000 0.856 253 R HN 0.549 nan 8.270 nan 0.000 0.436 254 L N 0.958 122.122 121.223 -0.098 0.000 2.131 254 L HA -0.111 4.260 4.340 0.051 0.000 0.210 254 L C 2.163 178.825 176.870 -0.347 0.000 1.092 254 L CA 0.984 55.672 54.840 -0.253 0.000 0.759 254 L CB -0.188 41.674 42.059 -0.330 0.000 0.903 254 L HN 0.179 nan 8.230 nan 0.000 0.435 255 V N -3.576 116.225 119.914 -0.188 0.000 3.596 255 V HA 0.458 4.609 4.120 0.051 0.000 0.289 255 V C 1.177 177.255 176.094 -0.027 0.000 1.336 255 V CA 0.356 62.607 62.300 -0.082 0.000 1.137 255 V CB -0.314 31.512 31.823 0.004 0.000 0.966 255 V HN 0.489 nan 8.190 nan 0.000 0.428 256 G N -0.790 107.988 108.800 -0.036 0.000 2.131 256 G HA2 -0.220 3.770 3.960 0.051 0.000 0.223 256 G HA3 -0.220 3.770 3.960 0.051 0.000 0.223 256 G C 0.098 174.996 174.900 -0.004 0.000 0.990 256 G CA -0.015 45.078 45.100 -0.012 0.000 0.671 256 G HN 0.695 nan 8.290 nan 0.000 0.521 266 D N 1.468 121.865 120.400 -0.005 0.000 2.097 266 D HA -0.078 4.593 4.640 0.051 0.000 0.195 266 D C 1.348 177.644 176.300 -0.006 0.000 0.989 266 D CA 1.900 55.894 54.000 -0.011 0.000 0.827 266 D CB -0.018 40.775 40.800 -0.011 0.000 0.966 266 D HN 0.656 nan 8.370 nan 0.000 0.456 267 T N 1.306 115.862 114.554 0.004 0.000 2.635 267 T HA -0.184 4.196 4.350 0.051 0.000 0.267 267 T C 1.782 176.490 174.700 0.014 0.000 1.040 267 T CA 1.507 63.615 62.100 0.013 0.000 1.156 267 T CB -0.353 68.524 68.868 0.015 0.000 0.863 267 T HN 0.325 nan 8.240 nan 0.000 0.430 268 E N 0.666 120.872 120.200 0.010 0.000 2.085 268 E HA -0.118 4.263 4.350 0.051 0.000 0.194 268 E C 2.239 178.844 176.600 0.008 0.000 0.994 268 E CA 1.010 57.416 56.400 0.010 0.000 0.801 268 E CB -0.324 29.380 29.700 0.007 0.000 0.743 268 E HN 0.381 nan 8.360 nan 0.000 0.453 269 L N 0.745 121.967 121.223 -0.002 0.000 2.056 269 L HA -0.138 4.232 4.340 0.051 0.000 0.207 269 L C 2.222 179.084 176.870 -0.014 0.000 1.078 269 L CA 1.170 56.003 54.840 -0.012 0.000 0.749 269 L CB -0.031 42.011 42.059 -0.027 0.000 0.901 269 L HN 0.092 nan 8.230 nan 0.000 0.433 270 I N -0.065 120.496 120.570 -0.015 0.000 2.315 270 I HA -0.227 3.973 4.170 0.051 0.000 0.248 270 I C 2.734 178.903 176.117 0.088 0.000 1.117 270 I CA 0.979 62.281 61.300 0.003 0.000 1.404 270 I CB -0.577 37.423 38.000 -0.001 0.000 1.071 270 I HN 0.322 nan 8.210 nan 0.000 0.419 271 A N -0.144 122.713 122.820 0.062 0.000 1.908 271 A HA -0.299 4.051 4.320 0.051 0.000 0.218 271 A C 2.535 180.158 177.584 0.064 0.000 1.181 271 A CA 1.996 54.072 52.037 0.065 0.000 0.627 271 A CB -1.385 17.640 19.000 0.042 0.000 0.818 271 A HN 0.616 nan 8.150 nan 0.000 0.445 272 c N -0.572 118.057 118.600 0.049 0.000 2.425 272 c HA 0.000 4.601 4.570 0.051 0.000 0.277 272 c C 2.588 176.717 174.090 0.066 0.000 1.280 272 c CA 1.087 57.443 56.329 0.044 0.000 1.744 272 c CB -1.561 40.965 42.510 0.026 0.000 1.989 272 c HN 0.585 nan 8.230 nan 0.000 0.491 273 L N 0.201 121.477 121.223 0.090 0.000 2.131 273 L HA -0.086 4.284 4.340 0.051 0.000 0.210 273 L C 2.924 179.931 176.870 0.229 0.000 1.092 273 L CA 1.357 56.290 54.840 0.155 0.000 0.759 273 L CB -0.610 41.531 42.059 0.137 0.000 0.903 273 L HN 0.356 nan 8.230 nan 0.000 0.435 274 R N -0.596 120.028 120.500 0.207 0.000 2.235 274 R HA -0.091 4.279 4.340 0.051 0.000 0.213 274 R C 2.190 178.517 176.300 0.045 0.000 1.059 274 R CA 1.545 57.707 56.100 0.104 0.000 0.997 274 R CB -0.285 30.067 30.300 0.087 0.000 0.884 274 R HN 0.488 nan 8.270 nan 0.000 0.462 275 T N -1.542 113.044 114.554 0.053 0.000 3.067 275 T HA 0.073 4.454 4.350 0.051 0.000 0.261 275 T C 0.974 175.693 174.700 0.030 0.000 1.110 275 T CA 0.068 62.188 62.100 0.033 0.000 1.113 275 T CB 0.137 69.024 68.868 0.032 0.000 0.917 275 T HN -0.142 nan 8.240 nan 0.000 0.499 276 R N 2.853 123.380 120.500 0.045 0.000 2.389 276 R HA 0.382 4.752 4.340 0.051 0.000 0.295 276 R C -2.667 173.651 176.300 0.030 0.000 1.075 276 R CA -2.704 53.423 56.100 0.047 0.000 1.005 276 R CB -0.044 30.296 30.300 0.067 0.000 0.987 276 R HN 0.273 nan 8.270 nan 0.000 0.452 277 P HA -0.055 nan 4.420 nan 0.000 0.265 277 P C 0.352 177.635 177.300 -0.028 0.000 1.187 277 P CA 0.278 63.367 63.100 -0.019 0.000 0.766 277 P CB 0.567 32.265 31.700 -0.002 0.000 0.820 278 A N 2.933 125.655 122.820 -0.163 0.000 1.917 278 A HA -0.286 4.065 4.320 0.051 0.000 0.219 278 A C 2.127 179.659 177.584 -0.087 0.000 1.182 278 A CA 2.003 53.895 52.037 -0.241 0.000 0.633 278 A CB -1.223 17.113 19.000 -1.106 0.000 0.819 278 A HN 0.543 nan 8.150 nan 0.000 0.448 279 Q N -0.116 119.628 119.800 -0.092 0.000 2.291 279 Q HA -0.123 4.247 4.340 0.051 0.000 0.205 279 Q C 1.090 177.200 176.000 0.183 0.000 0.970 279 Q CA 1.712 57.633 55.803 0.196 0.000 0.876 279 Q CB -0.321 28.552 28.738 0.225 0.000 0.935 279 Q HN 0.645 nan 8.270 nan 0.000 0.455 280 D N -0.866 119.615 120.400 0.134 0.000 2.178 280 D HA -0.121 4.549 4.640 0.051 0.000 0.202 280 D C 1.317 177.739 176.300 0.203 0.000 0.974 280 D CA 0.630 54.729 54.000 0.165 0.000 0.841 280 D CB 0.053 40.934 40.800 0.136 0.000 0.953 280 D HN 0.216 nan 8.370 nan 0.000 0.478 281 L N 0.207 121.523 121.223 0.155 0.000 2.023 281 L HA -0.081 4.290 4.340 0.051 0.000 0.205 281 L C 2.497 179.449 176.870 0.137 0.000 1.073 281 L CA 0.887 55.784 54.840 0.094 0.000 0.745 281 L CB -0.971 41.041 42.059 -0.078 0.000 0.900 281 L HN -0.054 nan 8.230 nan 0.000 0.435 282 V N -0.093 119.967 119.914 0.242 0.000 2.324 282 V HA -0.317 3.834 4.120 0.051 0.000 0.250 282 V C 2.132 178.344 176.094 0.195 0.000 1.060 282 V CA 1.804 64.284 62.300 0.300 0.000 1.042 282 V CB -0.647 31.464 31.823 0.480 0.000 0.650 282 V HN 0.402 nan 8.190 nan 0.000 0.450 283 D N -1.205 119.279 120.400 0.140 0.000 2.265 283 D HA -0.137 4.533 4.640 0.051 0.000 0.208 283 D C 1.844 177.957 176.300 -0.311 0.000 0.977 283 D CA 1.252 55.232 54.000 -0.032 0.000 0.871 283 D CB -0.167 40.594 40.800 -0.065 0.000 0.925 283 D HN 0.561 nan 8.370 nan 0.000 0.485 284 H N -0.730 118.341 119.070 0.001 0.000 2.893 284 H HA 0.180 4.767 4.556 0.051 0.000 0.270 284 H C 1.465 176.777 175.328 -0.026 0.000 1.095 284 H CA -0.145 55.859 56.048 -0.074 0.000 1.186 284 H CB 0.771 30.610 29.762 0.127 0.000 1.562 284 H HN 0.231 nan 8.280 nan 0.000 0.536 285 E N 0.471 120.752 120.200 0.135 0.000 2.086 285 E HA -0.244 4.137 4.350 0.051 0.000 0.205 285 E C 1.339 178.095 176.600 0.259 0.000 1.027 285 E CA 1.296 57.856 56.400 0.267 0.000 0.830 285 E CB 0.001 29.800 29.700 0.165 0.000 0.751 285 E HN 0.384 nan 8.360 nan 0.000 0.456 286 W N 0.723 121.923 121.300 -0.167 0.000 3.047 286 W HA 0.013 4.703 4.660 0.050 0.000 0.250 286 W C 1.062 177.575 176.519 -0.011 0.000 1.314 286 W CA 0.680 57.926 57.345 -0.165 0.000 1.540 286 W CB -0.276 29.004 29.460 -0.299 0.000 1.127 286 W HN 0.272 nan 8.180 nan 0.000 0.679 287 H N -1.024 118.179 119.070 0.222 0.000 2.539 287 H HA -0.008 4.578 4.556 0.050 0.000 0.267 287 H C 1.933 177.317 175.328 0.094 0.000 0.982 287 H CA 0.834 56.954 56.048 0.120 0.000 1.146 287 H CB 0.319 30.187 29.762 0.176 0.000 1.382 287 H HN 0.012 nan 8.280 nan 0.000 0.577 288 V N -1.683 118.352 119.914 0.201 0.000 3.660 288 V HA 0.165 4.316 4.120 0.051 0.000 0.276 288 V C 0.594 176.698 176.094 0.017 0.000 1.317 288 V CA -0.143 62.213 62.300 0.094 0.000 1.097 288 V CB -0.376 31.487 31.823 0.067 0.000 0.863 288 V HN 0.124 nan 8.190 nan 0.000 0.438 289 L N 2.483 123.730 121.223 0.039 0.000 2.490 289 L HA 0.192 4.562 4.340 0.051 0.000 0.274 289 L C -0.353 176.517 176.870 -0.000 0.000 1.201 289 L CA -0.851 53.997 54.840 0.013 0.000 0.869 289 L CB 0.584 42.676 42.059 0.054 0.000 1.123 289 L HN 0.164 nan 8.230 nan 0.000 0.484 290 P HA -0.087 nan 4.420 nan 0.000 0.221 290 P C -0.207 177.086 177.300 -0.012 0.000 1.150 290 P CA 1.092 64.184 63.100 -0.013 0.000 0.800 290 P CB 0.448 32.139 31.700 -0.016 0.000 0.787 291 Q N -1.313 118.479 119.800 -0.012 0.000 2.495 291 Q HA 0.334 4.704 4.340 0.051 0.000 0.287 291 Q C -0.579 175.406 176.000 -0.024 0.000 1.078 291 Q CA -0.737 55.057 55.803 -0.016 0.000 0.793 291 Q CB 1.499 30.231 28.738 -0.010 0.000 1.459 291 Q HN -0.069 nan 8.270 nan 0.000 0.422 292 E N 1.038 121.218 120.200 -0.032 0.000 2.366 292 E HA 0.295 4.676 4.350 0.051 0.000 0.266 292 E C -0.981 175.608 176.600 -0.018 0.000 1.015 292 E CA 0.161 56.535 56.400 -0.043 0.000 0.906 292 E CB 0.370 30.043 29.700 -0.045 0.000 0.979 292 E HN 0.619 nan 8.360 nan 0.000 0.443 293 S N 3.601 119.297 115.700 -0.007 0.000 2.625 293 S HA 0.667 5.167 4.470 0.051 0.000 0.271 293 S C -0.427 174.202 174.600 0.047 0.000 1.161 293 S CA -1.035 57.173 58.200 0.014 0.000 0.820 293 S CB 0.892 64.091 63.200 -0.000 0.000 1.137 293 S HN 0.535 nan 8.310 nan 0.000 0.470 294 I N -3.140 117.454 120.570 0.039 0.000 3.002 294 I HA 0.785 4.986 4.170 0.051 0.000 0.310 294 I C -0.299 175.785 176.117 -0.054 0.000 1.087 294 I CA -1.221 60.118 61.300 0.064 0.000 1.017 294 I CB 1.201 39.288 38.000 0.145 0.000 1.226 294 I HN 0.732 nan 8.210 nan 0.000 0.443 295 F N 1.292 121.009 119.950 -0.389 0.000 3.090 295 F HA -0.214 4.343 4.527 0.050 0.000 0.282 295 F C -0.023 175.143 175.800 -1.057 0.000 0.923 295 F CA 0.824 58.279 58.000 -0.907 0.000 0.977 295 F CB -0.875 37.512 39.000 -1.022 0.000 0.954 295 F HN 0.696 nan 8.300 nan 0.000 0.695 296 R N 0.240 120.230 120.500 -0.850 0.000 2.628 296 R HA 0.733 5.104 4.340 0.051 0.000 0.288 296 R C -1.444 174.424 176.300 -0.720 0.000 0.980 296 R CA -0.386 55.336 56.100 -0.629 0.000 0.891 296 R CB 1.121 31.308 30.300 -0.189 0.000 1.188 296 R HN -0.035 nan 8.270 nan 0.000 0.450 297 F N 0.459 120.497 119.950 0.147 0.000 2.565 297 F HA 0.384 4.942 4.527 0.050 0.000 0.313 297 F C 1.054 176.881 175.800 0.045 0.000 1.091 297 F CA -0.844 57.221 58.000 0.108 0.000 0.915 297 F CB 2.365 41.520 39.000 0.258 0.000 1.208 297 F HN 0.440 nan 8.300 nan 0.000 0.453 298 S N 0.828 116.618 115.700 0.151 0.000 2.357 298 S HA 0.084 4.584 4.470 0.051 0.000 0.221 298 S C -0.080 174.229 174.600 -0.485 0.000 1.031 298 S CA 1.063 59.152 58.200 -0.185 0.000 0.982 298 S CB -0.122 62.985 63.200 -0.155 0.000 0.853 298 S HN 0.356 nan 8.310 nan 0.000 0.458 299 F N 1.462 121.530 119.950 0.196 0.000 2.434 299 F HA 0.552 5.109 4.527 0.051 0.000 0.355 299 F C -0.129 175.737 175.800 0.110 0.000 1.115 299 F CA -0.907 57.200 58.000 0.178 0.000 1.010 299 F CB 1.442 40.575 39.000 0.221 0.000 1.234 299 F HN -0.110 nan 8.300 nan 0.000 0.439 300 V N 0.777 120.680 119.914 -0.017 0.000 3.167 300 V HA 0.756 4.907 4.120 0.051 0.000 0.310 300 V C -2.935 172.780 176.094 -0.632 0.000 1.207 300 V CA -3.321 58.611 62.300 -0.614 0.000 1.059 300 V CB 2.024 33.695 31.823 -0.253 0.000 1.079 300 V HN 0.264 nan 8.190 nan 0.000 0.446 301 P HA 0.150 nan 4.420 nan 0.000 0.264 301 P C -0.753 176.402 177.300 -0.242 0.000 1.179 301 P CA 0.472 63.269 63.100 -0.507 0.000 0.763 301 P CB 0.552 31.866 31.700 -0.643 0.000 0.806 302 V N 4.797 124.646 119.914 -0.108 0.000 2.555 302 V HA 0.238 4.388 4.120 0.051 0.000 0.302 302 V C -0.352 175.721 176.094 -0.034 0.000 1.038 302 V CA -0.926 61.341 62.300 -0.054 0.000 0.887 302 V CB 2.091 33.913 31.823 -0.001 0.000 0.991 302 V HN 0.144 nan 8.190 nan 0.000 0.434 303 V N 7.639 127.534 119.914 -0.031 0.000 2.382 303 V HA 0.124 4.275 4.120 0.051 0.000 0.250 303 V C 0.943 177.044 176.094 0.012 0.000 1.069 303 V CA 0.575 62.871 62.300 -0.007 0.000 1.130 303 V CB -0.039 31.774 31.823 -0.017 0.000 1.165 303 V HN 1.067 nan 8.190 nan 0.000 0.483 304 D N 2.787 123.209 120.400 0.035 0.000 2.354 304 D HA 0.105 4.775 4.640 0.051 0.000 0.209 304 D C 1.552 177.877 176.300 0.041 0.000 1.015 304 D CA 0.726 54.751 54.000 0.042 0.000 0.867 304 D CB 0.276 41.115 40.800 0.065 0.000 0.933 304 D HN 0.695 nan 8.370 nan 0.000 0.520 305 G N 0.728 109.553 108.800 0.041 0.000 2.153 305 G HA2 -0.314 3.676 3.960 0.051 0.000 0.252 305 G HA3 -0.314 3.676 3.960 0.051 0.000 0.252 305 G C 0.337 175.260 174.900 0.038 0.000 0.994 305 G CA 0.774 45.893 45.100 0.031 0.000 0.698 305 G HN 0.552 nan 8.290 nan 0.000 0.521 306 D N -1.772 118.667 120.400 0.065 0.000 3.000 306 D HA 0.223 4.893 4.640 0.051 0.000 0.190 306 D C 1.687 178.040 176.300 0.088 0.000 1.503 306 D CA 0.422 54.464 54.000 0.069 0.000 1.496 306 D CB -0.648 40.203 40.800 0.084 0.000 1.163 306 D HN 0.070 nan 8.370 nan 0.000 0.231 307 F N 1.268 121.224 119.950 0.010 0.000 2.069 307 F HA 0.151 4.708 4.527 0.050 0.000 0.298 307 F C 0.585 176.383 175.800 -0.004 0.000 1.113 307 F CA 1.289 59.293 58.000 0.007 0.000 1.214 307 F CB 0.117 39.117 39.000 0.001 0.000 0.978 307 F HN -0.009 nan 8.300 nan 0.000 0.474 308 L N 0.790 122.172 121.223 0.265 0.000 2.277 308 L HA 0.198 4.568 4.340 0.051 0.000 0.284 308 L C 1.341 178.252 176.870 0.069 0.000 1.028 308 L CA -0.190 54.736 54.840 0.143 0.000 0.835 308 L CB 1.340 43.473 42.059 0.123 0.000 1.215 308 L HN 0.079 nan 8.230 nan 0.000 0.425 309 S N 0.322 116.043 115.700 0.035 0.000 2.453 309 S HA -0.005 4.496 4.470 0.051 0.000 0.231 309 S C 0.478 175.086 174.600 0.014 0.000 1.005 309 S CA 0.460 58.670 58.200 0.017 0.000 0.949 309 S CB 0.172 63.372 63.200 -0.000 0.000 0.774 309 S HN 0.698 nan 8.310 nan 0.000 0.510 310 D N 0.203 120.613 120.400 0.016 0.000 2.759 310 D HA 0.307 4.977 4.640 0.051 0.000 0.321 310 D C -0.865 175.438 176.300 0.006 0.000 1.267 310 D CA -0.017 53.988 54.000 0.008 0.000 0.933 310 D CB 1.490 42.292 40.800 0.004 0.000 1.431 310 D HN 0.237 nan 8.370 nan 0.000 0.504 311 T N -0.943 113.607 114.554 -0.005 0.000 2.926 311 T HA 0.243 4.623 4.350 0.051 0.000 0.307 311 T C -1.824 172.868 174.700 -0.014 0.000 1.059 311 T CA -0.774 61.315 62.100 -0.019 0.000 1.122 311 T CB 1.057 69.908 68.868 -0.029 0.000 0.972 311 T HN 0.091 nan 8.240 nan 0.000 0.545 312 P HA -0.167 nan 4.420 nan 0.000 0.216 312 P C 1.516 178.808 177.300 -0.013 0.000 1.154 312 P CA 1.313 64.397 63.100 -0.025 0.000 0.865 312 P CB 0.060 31.714 31.700 -0.076 0.000 0.789 313 E N -0.275 119.907 120.200 -0.031 0.000 2.049 313 E HA -0.265 4.115 4.350 0.051 0.000 0.198 313 E C 1.915 178.520 176.600 0.008 0.000 1.007 313 E CA 1.608 57.998 56.400 -0.017 0.000 0.809 313 E CB -0.613 29.070 29.700 -0.028 0.000 0.749 313 E HN 0.096 nan 8.360 nan 0.000 0.450 314 A N 0.837 123.660 122.820 0.006 0.000 1.902 314 A HA -0.133 4.217 4.320 0.051 0.000 0.217 314 A C 2.230 179.832 177.584 0.031 0.000 1.181 314 A CA 1.298 53.343 52.037 0.013 0.000 0.623 314 A CB -0.548 18.454 19.000 0.003 0.000 0.818 314 A HN 0.332 nan 8.150 nan 0.000 0.443 315 L N -0.145 121.106 121.223 0.046 0.000 2.179 315 L HA -0.058 4.312 4.340 0.051 0.000 0.208 315 L C 2.565 179.540 176.870 0.176 0.000 1.096 315 L CA 1.162 56.050 54.840 0.079 0.000 0.779 315 L CB -0.556 41.552 42.059 0.082 0.000 0.922 315 L HN 0.658 nan 8.230 nan 0.000 0.443 316 I N -2.401 118.275 120.570 0.175 0.000 2.286 316 I HA -0.154 4.047 4.170 0.051 0.000 0.245 316 I C 2.061 178.315 176.117 0.228 0.000 1.104 316 I CA 1.348 62.801 61.300 0.255 0.000 1.397 316 I CB -0.494 37.559 38.000 0.088 0.000 1.072 316 I HN 0.153 nan 8.210 nan 0.000 0.417 317 N N 1.472 120.242 118.700 0.116 0.000 2.149 317 N HA -0.158 4.612 4.740 0.051 0.000 0.188 317 N C 1.849 177.398 175.510 0.066 0.000 1.019 317 N CA 2.412 55.512 53.050 0.082 0.000 0.857 317 N CB -0.556 37.958 38.487 0.044 0.000 0.997 317 N HN 0.720 nan 8.380 nan 0.000 0.426 318 T N -3.861 110.718 114.554 0.040 0.000 3.044 318 T HA 0.343 4.723 4.350 0.051 0.000 0.260 318 T C 0.874 175.512 174.700 -0.103 0.000 1.019 318 T CA -0.330 61.759 62.100 -0.019 0.000 0.921 318 T CB 0.031 68.886 68.868 -0.021 0.000 1.053 318 T HN 0.079 nan 8.240 nan 0.000 0.533 319 G N 0.722 109.420 108.800 -0.169 0.000 2.539 319 G HA2 0.432 4.422 3.960 0.051 0.000 0.258 319 G HA3 0.432 4.422 3.960 0.051 0.000 0.258 319 G C -1.142 173.294 174.900 -0.773 0.000 1.202 319 G CA -0.395 44.356 45.100 -0.583 0.000 0.851 319 G HN 0.292 nan 8.290 nan 0.000 0.556 320 D N 0.252 120.168 120.400 -0.807 0.000 2.414 320 D HA 0.342 5.013 4.640 0.051 0.000 0.232 320 D C -0.628 175.329 176.300 -0.572 0.000 1.070 320 D CA -0.712 52.981 54.000 -0.512 0.000 0.839 320 D CB 0.824 41.469 40.800 -0.259 0.000 1.079 320 D HN 0.090 nan 8.370 nan 0.000 0.521 321 F N 2.158 122.110 119.950 0.003 0.000 2.855 321 F HA 0.200 4.757 4.527 0.051 0.000 0.317 321 F C 2.063 177.866 175.800 0.005 0.000 1.169 321 F CA -0.461 57.543 58.000 0.007 0.000 1.299 321 F CB 0.431 39.445 39.000 0.023 0.000 0.962 321 F HN 0.282 nan 8.300 nan 0.000 0.506 322 Q N 0.276 120.133 119.800 0.095 0.000 2.096 322 Q HA -0.159 4.211 4.340 0.051 0.000 0.204 322 Q C 0.389 176.424 176.000 0.059 0.000 0.982 322 Q CA 1.401 57.242 55.803 0.063 0.000 0.850 322 Q CB -0.068 28.681 28.738 0.018 0.000 0.901 322 Q HN 0.394 nan 8.270 nan 0.000 0.422 323 D N 0.258 120.685 120.400 0.046 0.000 2.706 323 D HA 0.187 4.857 4.640 0.051 0.000 0.236 323 D C -0.533 175.789 176.300 0.036 0.000 1.231 323 D CA -0.009 54.008 54.000 0.028 0.000 0.828 323 D CB 0.048 40.848 40.800 0.001 0.000 1.015 323 D HN 0.010 nan 8.370 nan 0.000 0.484 324 L N 0.791 122.060 121.223 0.077 0.000 2.362 324 L HA 0.365 4.736 4.340 0.051 0.000 0.271 324 L C -1.102 175.834 176.870 0.109 0.000 1.002 324 L CA -0.523 54.373 54.840 0.092 0.000 0.818 324 L CB 2.154 44.298 42.059 0.142 0.000 1.298 324 L HN -0.253 nan 8.230 nan 0.000 0.420 325 Q N 3.052 122.929 119.800 0.128 0.000 2.333 325 Q HA 0.780 5.150 4.340 0.051 0.000 0.267 325 Q C -1.448 174.798 176.000 0.410 0.000 1.012 325 Q CA -0.485 55.449 55.803 0.219 0.000 0.824 325 Q CB 2.584 31.390 28.738 0.112 0.000 1.290 325 Q HN 0.450 nan 8.270 nan 0.000 0.449 326 V N 2.374 122.517 119.914 0.382 0.000 2.638 326 V HA 0.501 4.651 4.120 0.051 0.000 0.306 326 V C -1.345 174.723 176.094 -0.044 0.000 1.052 326 V CA -0.923 61.517 62.300 0.232 0.000 0.885 326 V CB 1.817 33.675 31.823 0.058 0.000 0.999 326 V HN 0.628 nan 8.190 nan 0.000 0.424 327 L N 6.966 127.909 121.223 -0.467 0.000 2.298 327 L HA 0.862 5.232 4.340 0.051 0.000 0.284 327 L C -0.378 176.359 176.870 -0.222 0.000 1.013 327 L CA -0.099 54.382 54.840 -0.599 0.000 0.824 327 L CB 1.488 42.704 42.059 -1.405 0.000 1.221 327 L HN 0.639 nan 8.230 nan 0.000 0.418 328 V N 2.262 122.117 119.914 -0.098 0.000 2.914 328 V HA 1.133 5.283 4.120 0.051 0.000 0.314 328 V C -0.088 175.810 176.094 -0.326 0.000 1.084 328 V CA 0.201 62.431 62.300 -0.117 0.000 0.963 328 V CB 1.164 32.889 31.823 -0.163 0.000 1.025 328 V HN 1.052 nan 8.190 nan 0.000 0.432 329 G N 0.927 109.410 108.800 -0.528 0.000 2.488 329 G HA2 0.765 4.755 3.960 0.051 0.000 0.301 329 G HA3 0.765 4.755 3.960 0.051 0.000 0.301 329 G C -1.212 173.386 174.900 -0.504 0.000 1.339 329 G CA 0.055 44.481 45.100 -1.123 0.000 0.803 329 G HN 2.067 nan 8.290 nan 0.000 0.482 330 V N -2.324 117.401 119.914 -0.314 0.000 3.159 330 V HA 0.914 5.065 4.120 0.051 0.000 0.308 330 V C 0.266 176.521 176.094 0.270 0.000 1.190 330 V CA -0.432 61.898 62.300 0.050 0.000 1.037 330 V CB 1.116 32.956 31.823 0.028 0.000 1.060 330 V HN 1.845 nan 8.190 nan 0.000 0.437 331 V N -0.096 120.008 119.914 0.317 0.000 3.109 331 V HA 0.562 4.713 4.120 0.051 0.000 0.317 331 V C 1.434 177.721 176.094 0.321 0.000 1.074 331 V CA 0.014 62.558 62.300 0.407 0.000 1.033 331 V CB 1.235 33.287 31.823 0.382 0.000 1.111 331 V HN 1.084 nan 8.190 nan 0.000 0.458 332 K N -0.241 120.352 120.400 0.322 0.000 2.147 332 K HA -0.079 4.271 4.320 0.051 0.000 0.205 332 K C 0.325 177.054 176.600 0.216 0.000 1.049 332 K CA 1.889 58.318 56.287 0.238 0.000 0.936 332 K CB 0.064 32.683 32.500 0.199 0.000 0.722 332 K HN 0.906 nan 8.250 nan 0.000 0.446 333 D N 0.881 121.419 120.400 0.229 0.000 2.739 333 D HA 0.027 4.697 4.640 0.051 0.000 0.335 333 D C 0.021 176.469 176.300 0.247 0.000 1.216 333 D CA -0.083 54.044 54.000 0.213 0.000 0.808 333 D CB 1.264 42.166 40.800 0.171 0.000 1.121 333 D HN 0.120 nan 8.370 nan 0.000 0.499 334 E N 0.460 120.822 120.200 0.269 0.000 2.171 334 E HA -0.132 4.248 4.350 0.051 0.000 0.197 334 E C 1.894 178.723 176.600 0.382 0.000 0.997 334 E CA 0.779 57.383 56.400 0.339 0.000 0.810 334 E CB 0.191 30.058 29.700 0.279 0.000 0.738 334 E HN 0.444 nan 8.360 nan 0.000 0.467 335 G N 0.715 109.697 108.800 0.303 0.000 2.744 335 G HA2 -0.130 3.861 3.960 0.051 0.000 0.211 335 G HA3 -0.130 3.861 3.960 0.051 0.000 0.211 335 G C 1.694 176.799 174.900 0.341 0.000 1.146 335 G CA 0.680 45.980 45.100 0.334 0.000 0.787 335 G HN 0.352 nan 8.290 nan 0.000 0.534 336 S N 0.237 116.083 115.700 0.244 0.000 2.370 336 S HA -0.249 4.251 4.470 0.051 0.000 0.226 336 S C 2.118 176.739 174.600 0.034 0.000 1.033 336 S CA 1.333 59.627 58.200 0.156 0.000 1.011 336 S CB -0.785 62.414 63.200 -0.002 0.000 0.852 336 S HN 0.367 nan 8.310 nan 0.000 0.457 337 Y N 1.932 122.113 120.300 -0.200 0.000 2.151 337 Y HA -0.173 4.407 4.550 0.050 0.000 0.284 337 Y C 1.775 177.491 175.900 -0.308 0.000 1.166 337 Y CA 1.769 59.588 58.100 -0.468 0.000 1.163 337 Y CB -0.630 37.445 38.460 -0.642 0.000 0.974 337 Y HN 0.302 nan 8.280 nan 0.000 0.511 338 F N -0.982 119.017 119.950 0.082 0.000 2.558 338 F HA -0.086 4.470 4.527 0.050 0.000 0.298 338 F C 1.948 177.801 175.800 0.087 0.000 1.119 338 F CA 0.573 58.616 58.000 0.072 0.000 1.451 338 F CB -0.428 38.561 39.000 -0.018 0.000 1.091 338 F HN 0.012 nan 8.300 nan 0.000 0.563 339 L N -0.115 121.197 121.223 0.149 0.000 2.093 339 L HA -0.132 4.238 4.340 0.051 0.000 0.208 339 L C 2.453 179.391 176.870 0.113 0.000 1.085 339 L CA 1.017 55.836 54.840 -0.035 0.000 0.755 339 L CB -0.861 40.960 42.059 -0.396 0.000 0.904 339 L HN 0.163 nan 8.230 nan 0.000 0.435 340 V N -4.477 115.544 119.914 0.177 0.000 3.305 340 V HA -0.198 3.952 4.120 0.051 0.000 0.269 340 V C 1.308 177.397 176.094 -0.009 0.000 1.157 340 V CA 1.073 63.470 62.300 0.163 0.000 1.157 340 V CB -1.167 30.761 31.823 0.176 0.000 0.772 340 V HN 0.350 nan 8.190 nan 0.000 0.498 341 Y N 1.023 121.390 120.300 0.112 0.000 2.607 341 Y HA 0.657 5.238 4.550 0.050 0.000 0.266 341 Y C 1.770 177.760 175.900 0.149 0.000 1.178 341 Y CA 0.341 58.525 58.100 0.140 0.000 1.226 341 Y CB 1.029 39.583 38.460 0.157 0.000 1.144 341 Y HN 0.386 nan 8.280 nan 0.000 0.528 342 G N -1.339 107.592 108.800 0.217 0.000 4.180 342 G HA2 -0.020 3.971 3.960 0.051 0.000 0.166 342 G HA3 -0.020 3.971 3.960 0.051 0.000 0.166 342 G C -0.720 174.249 174.900 0.114 0.000 0.816 342 G CA -0.322 44.864 45.100 0.142 0.000 0.880 342 G HN -0.087 nan 8.290 nan 0.000 0.399 343 V N 3.275 123.274 119.914 0.142 0.000 2.385 343 V HA 0.398 4.548 4.120 0.051 0.000 0.269 343 V C -2.050 174.217 176.094 0.289 0.000 1.043 343 V CA -1.545 60.863 62.300 0.180 0.000 0.906 343 V CB 1.154 33.038 31.823 0.101 0.000 0.995 343 V HN 0.055 nan 8.190 nan 0.000 0.467 344 P HA 0.265 nan 4.420 nan 0.000 0.265 344 P C 1.011 178.396 177.300 0.141 0.000 1.193 344 P CA 1.170 64.358 63.100 0.146 0.000 0.765 344 P CB 0.713 32.462 31.700 0.082 0.000 0.823 345 G N 1.030 109.843 108.800 0.023 0.000 2.194 345 G HA2 -0.225 3.766 3.960 0.051 0.000 0.236 345 G HA3 -0.225 3.766 3.960 0.051 0.000 0.236 345 G C -0.192 174.478 174.900 -0.382 0.000 0.987 345 G CA -0.573 44.412 45.100 -0.192 0.000 0.635 345 G HN 0.404 nan 8.290 nan 0.000 0.520 346 F N 1.463 121.408 119.950 -0.008 0.000 2.427 346 F HA 0.767 5.323 4.527 0.049 0.000 0.346 346 F C 0.515 176.390 175.800 0.125 0.000 1.120 346 F CA -0.174 57.834 58.000 0.014 0.000 1.033 346 F CB 2.333 41.382 39.000 0.081 0.000 1.126 346 F HN 0.150 nan 8.300 nan 0.000 0.462 347 S N 2.035 117.941 115.700 0.344 0.000 2.537 347 S HA 0.273 4.773 4.470 0.051 0.000 0.270 347 S C 0.332 175.211 174.600 0.466 0.000 1.142 347 S CA -0.903 57.505 58.200 0.348 0.000 0.870 347 S CB 1.304 64.615 63.200 0.185 0.000 1.112 347 S HN 0.757 nan 8.310 nan 0.000 0.466 348 K N 1.537 122.117 120.400 0.301 0.000 2.365 348 K HA 0.071 4.421 4.320 0.051 0.000 0.199 348 K C 0.169 176.798 176.600 0.049 0.000 1.045 348 K CA 1.321 57.699 56.287 0.151 0.000 0.962 348 K CB -0.102 32.259 32.500 -0.232 0.000 0.759 348 K HN 0.435 nan 8.250 nan 0.000 0.469 349 D N 0.840 121.252 120.400 0.020 0.000 2.339 349 D HA 0.025 4.695 4.640 0.051 0.000 0.217 349 D C -0.357 175.966 176.300 0.038 0.000 1.050 349 D CA 0.266 54.251 54.000 -0.024 0.000 0.856 349 D CB 0.094 40.858 40.800 -0.059 0.000 0.922 349 D HN 0.513 nan 8.370 nan 0.000 0.518 350 N N -1.469 117.293 118.700 0.103 0.000 3.204 350 N HA 0.126 4.896 4.740 0.051 0.000 0.285 350 N C 0.138 175.706 175.510 0.096 0.000 1.536 350 N CA -0.654 52.434 53.050 0.062 0.000 0.832 350 N CB 0.793 39.272 38.487 -0.013 0.000 1.645 350 N HN -0.359 nan 8.380 nan 0.000 0.586 351 E N -0.584 119.602 120.200 -0.024 0.000 2.478 351 E HA 0.042 4.422 4.350 0.051 0.000 0.198 351 E C -0.518 175.733 176.600 -0.581 0.000 1.046 351 E CA 0.301 56.621 56.400 -0.133 0.000 0.870 351 E CB -0.236 29.419 29.700 -0.075 0.000 0.818 351 E HN 0.542 nan 8.360 nan 0.000 0.527 352 S N 0.203 115.571 115.700 -0.552 0.000 3.682 352 S HA -0.185 4.315 4.470 0.051 0.000 0.354 352 S C 0.051 174.187 174.600 -0.774 0.000 1.034 352 S CA 0.146 57.861 58.200 -0.807 0.000 1.084 352 S CB -1.470 60.951 63.200 -1.300 0.000 0.903 352 S HN 0.308 nan 8.310 nan 0.000 0.470 353 L N 1.804 122.741 121.223 -0.475 0.000 2.369 353 L HA 0.465 4.835 4.340 0.051 0.000 0.279 353 L C 0.705 177.376 176.870 -0.332 0.000 1.108 353 L CA -0.153 54.478 54.840 -0.349 0.000 0.852 353 L CB 0.176 42.103 42.059 -0.221 0.000 1.169 353 L HN 0.440 nan 8.230 nan 0.000 0.452 354 I N 0.215 120.594 120.570 -0.318 0.000 2.863 354 I HA 0.640 4.840 4.170 0.051 0.000 0.311 354 I C 0.526 176.576 176.117 -0.112 0.000 1.026 354 I CA -0.626 60.527 61.300 -0.245 0.000 1.077 354 I CB 1.949 39.778 38.000 -0.284 0.000 1.262 354 I HN 0.545 nan 8.210 nan 0.000 0.461 355 S N 2.569 118.234 115.700 -0.058 0.000 2.645 355 S HA 0.358 4.859 4.470 0.051 0.000 0.266 355 S C 0.950 175.580 174.600 0.050 0.000 1.258 355 S CA -0.476 57.717 58.200 -0.012 0.000 0.990 355 S CB 1.507 64.704 63.200 -0.004 0.000 0.967 355 S HN 0.882 nan 8.310 nan 0.000 0.556 356 R N 0.441 120.975 120.500 0.056 0.000 2.096 356 R HA -0.081 4.289 4.340 0.051 0.000 0.235 356 R C 2.288 178.681 176.300 0.156 0.000 1.127 356 R CA 1.593 57.766 56.100 0.121 0.000 0.968 356 R CB -1.093 29.254 30.300 0.078 0.000 0.861 356 R HN 0.829 nan 8.270 nan 0.000 0.440 357 A N 0.330 123.206 122.820 0.093 0.000 1.930 357 A HA -0.180 4.171 4.320 0.051 0.000 0.217 357 A C 2.005 179.638 177.584 0.082 0.000 1.175 357 A CA 1.395 53.476 52.037 0.074 0.000 0.627 357 A CB -0.391 18.636 19.000 0.046 0.000 0.815 357 A HN 0.505 nan 8.150 nan 0.000 0.443 358 Q N -1.999 117.857 119.800 0.094 0.000 2.230 358 Q HA -0.062 4.309 4.340 0.051 0.000 0.202 358 Q C 1.767 177.890 176.000 0.204 0.000 0.963 358 Q CA 1.251 57.121 55.803 0.112 0.000 0.866 358 Q CB -0.199 28.577 28.738 0.064 0.000 0.931 358 Q HN 0.827 nan 8.270 nan 0.000 0.452 359 F N 0.694 120.684 119.950 0.066 0.000 2.163 359 F HA -0.132 4.429 4.527 0.057 0.000 0.297 359 F C 1.630 177.475 175.800 0.075 0.000 1.094 359 F CA 0.832 58.885 58.000 0.087 0.000 1.290 359 F CB 0.182 39.217 39.000 0.058 0.000 1.017 359 F HN -0.048 nan 8.300 nan 0.000 0.483 360 L N 0.156 121.317 121.223 -0.102 0.000 2.093 360 L HA -0.121 4.249 4.340 0.051 0.000 0.208 360 L C 2.805 179.601 176.870 -0.123 0.000 1.085 360 L CA 1.020 55.745 54.840 -0.192 0.000 0.755 360 L CB -1.512 40.519 42.059 -0.046 0.000 0.904 360 L HN 0.221 nan 8.230 nan 0.000 0.435 361 A N 0.892 123.691 122.820 -0.035 0.000 1.930 361 A HA -0.052 4.299 4.320 0.051 0.000 0.217 361 A C 2.439 180.018 177.584 -0.007 0.000 1.175 361 A CA 1.542 53.574 52.037 -0.007 0.000 0.627 361 A CB -1.145 17.871 19.000 0.027 0.000 0.815 361 A HN 0.417 nan 8.150 nan 0.000 0.443 362 G N -0.623 108.185 108.800 0.014 0.000 2.432 362 G HA2 -0.080 3.910 3.960 0.051 0.000 0.219 362 G HA3 -0.080 3.910 3.960 0.051 0.000 0.219 362 G C 1.449 176.318 174.900 -0.052 0.000 1.135 362 G CA 1.174 46.293 45.100 0.032 0.000 0.767 362 G HN 0.307 nan 8.290 nan 0.000 0.550 363 V N 0.965 120.777 119.914 -0.169 0.000 2.427 363 V HA -0.109 4.041 4.120 0.051 0.000 0.248 363 V C 2.928 178.975 176.094 -0.078 0.000 1.051 363 V CA 1.478 63.670 62.300 -0.180 0.000 1.048 363 V CB -0.343 31.275 31.823 -0.343 0.000 0.666 363 V HN 0.225 nan 8.190 nan 0.000 0.456 364 R N -0.050 120.413 120.500 -0.063 0.000 2.115 364 R HA 0.040 4.410 4.340 0.051 0.000 0.230 364 R C 2.010 178.303 176.300 -0.012 0.000 1.111 364 R CA 1.298 57.380 56.100 -0.029 0.000 0.976 364 R CB -0.745 29.542 30.300 -0.023 0.000 0.870 364 R HN 0.475 nan 8.270 nan 0.000 0.445 365 I N -0.557 120.008 120.570 -0.008 0.000 2.480 365 I HA -0.038 4.162 4.170 0.051 0.000 0.251 365 I C 2.226 178.351 176.117 0.014 0.000 1.124 365 I CA 1.236 62.540 61.300 0.007 0.000 1.444 365 I CB -0.432 37.580 38.000 0.019 0.000 1.098 365 I HN 0.170 nan 8.210 nan 0.000 0.428 366 G N 0.431 109.236 108.800 0.008 0.000 2.511 366 G HA2 -0.003 3.987 3.960 0.051 0.000 0.217 366 G HA3 -0.003 3.987 3.960 0.051 0.000 0.217 366 G C 0.834 175.764 174.900 0.050 0.000 1.133 366 G CA 0.347 45.459 45.100 0.021 0.000 0.792 366 G HN 0.231 nan 8.290 nan 0.000 0.539 367 V N 2.022 121.950 119.914 0.024 0.000 2.361 367 V HA 0.218 4.369 4.120 0.051 0.000 0.252 367 V C -1.480 174.631 176.094 0.029 0.000 0.986 367 V CA -1.081 61.227 62.300 0.013 0.000 1.033 367 V CB 1.459 33.263 31.823 -0.032 0.000 1.282 367 V HN 0.067 nan 8.190 nan 0.000 0.514 368 P HA -0.124 nan 4.420 nan 0.000 0.222 368 P C 1.038 178.350 177.300 0.020 0.000 1.147 368 P CA 1.014 64.127 63.100 0.021 0.000 0.790 368 P CB 0.569 32.279 31.700 0.017 0.000 0.780 369 Q N -0.510 119.312 119.800 0.036 0.000 2.425 369 Q HA 0.252 4.622 4.340 0.051 0.000 0.204 369 Q C 0.839 176.847 176.000 0.014 0.000 0.933 369 Q CA -0.013 55.806 55.803 0.027 0.000 0.939 369 Q CB -0.370 28.394 28.738 0.044 0.000 1.044 369 Q HN 0.169 nan 8.270 nan 0.000 0.513 370 A N 0.799 123.626 122.820 0.011 0.000 2.440 370 A HA 0.430 4.780 4.320 0.051 0.000 0.251 370 A C 0.365 177.945 177.584 -0.005 0.000 1.089 370 A CA -0.357 51.680 52.037 -0.001 0.000 0.779 370 A CB 0.217 19.219 19.000 0.003 0.000 1.022 370 A HN 0.340 nan 8.150 nan 0.000 0.492 371 S N 2.009 117.702 115.700 -0.012 0.000 2.608 371 S HA 0.126 4.627 4.470 0.051 0.000 0.261 371 S C 0.433 175.032 174.600 -0.002 0.000 1.314 371 S CA 0.057 58.251 58.200 -0.010 0.000 0.992 371 S CB 0.429 63.618 63.200 -0.017 0.000 0.935 371 S HN 0.636 nan 8.310 nan 0.000 0.564 372 D N 0.241 120.642 120.400 0.002 0.000 2.106 372 D HA -0.120 4.550 4.640 0.051 0.000 0.191 372 D C 1.756 178.068 176.300 0.020 0.000 0.997 372 D CA 1.226 55.232 54.000 0.009 0.000 0.834 372 D CB -0.495 40.311 40.800 0.010 0.000 0.956 372 D HN 0.443 nan 8.370 nan 0.000 0.448 373 L N 0.607 121.842 121.223 0.020 0.000 2.046 373 L HA -0.079 4.292 4.340 0.051 0.000 0.208 373 L C 2.071 178.973 176.870 0.053 0.000 1.077 373 L CA 1.924 56.786 54.840 0.037 0.000 0.747 373 L CB -0.822 41.254 42.059 0.029 0.000 0.896 373 L HN 0.005 nan 8.230 nan 0.000 0.432 374 A N -0.595 122.240 122.820 0.024 0.000 1.902 374 A HA -0.071 4.280 4.320 0.051 0.000 0.217 374 A C 2.438 180.057 177.584 0.059 0.000 1.181 374 A CA 1.698 53.749 52.037 0.023 0.000 0.623 374 A CB -1.123 17.855 19.000 -0.037 0.000 0.818 374 A HN 0.567 nan 8.150 nan 0.000 0.443 375 A N -0.335 122.507 122.820 0.037 0.000 1.930 375 A HA -0.121 4.229 4.320 0.051 0.000 0.217 375 A C 1.949 179.562 177.584 0.049 0.000 1.175 375 A CA 2.023 54.078 52.037 0.029 0.000 0.627 375 A CB -0.434 18.566 19.000 0.000 0.000 0.815 375 A HN 0.575 nan 8.150 nan 0.000 0.443 376 E N 0.270 120.510 120.200 0.067 0.000 2.077 376 E HA -0.058 4.323 4.350 0.051 0.000 0.193 376 E C 2.006 178.690 176.600 0.140 0.000 0.989 376 E CA 1.478 57.935 56.400 0.094 0.000 0.800 376 E CB -0.415 29.336 29.700 0.085 0.000 0.746 376 E HN 0.470 nan 8.360 nan 0.000 0.452 377 A N 0.087 123.009 122.820 0.170 0.000 1.908 377 A HA -0.167 4.183 4.320 0.051 0.000 0.218 377 A C 2.466 180.155 177.584 0.175 0.000 1.181 377 A CA 1.723 53.900 52.037 0.234 0.000 0.627 377 A CB -0.823 18.425 19.000 0.414 0.000 0.818 377 A HN 0.213 nan 8.150 nan 0.000 0.445 378 V N -0.503 119.538 119.914 0.212 0.000 2.261 378 V HA -0.237 3.913 4.120 0.051 0.000 0.246 378 V C 2.569 178.822 176.094 0.264 0.000 1.047 378 V CA 1.990 64.403 62.300 0.187 0.000 1.015 378 V CB -0.893 31.030 31.823 0.167 0.000 0.642 378 V HN 0.365 nan 8.190 nan 0.000 0.446 379 V N -0.070 119.949 119.914 0.175 0.000 2.324 379 V HA -0.285 3.866 4.120 0.051 0.000 0.250 379 V C 2.283 178.601 176.094 0.373 0.000 1.060 379 V CA 2.135 64.580 62.300 0.243 0.000 1.042 379 V CB -0.548 31.340 31.823 0.108 0.000 0.650 379 V HN 0.457 nan 8.190 nan 0.000 0.450 380 L N -0.924 120.495 121.223 0.328 0.000 2.156 380 L HA -0.148 4.222 4.340 0.051 0.000 0.208 380 L C 2.515 179.607 176.870 0.371 0.000 1.095 380 L CA 1.760 56.873 54.840 0.455 0.000 0.770 380 L CB -0.751 41.494 42.059 0.309 0.000 0.914 380 L HN 0.450 nan 8.230 nan 0.000 0.439 381 H N -0.752 118.327 119.070 0.014 0.000 2.357 381 H HA -0.170 4.419 4.556 0.054 0.000 0.301 381 H C 1.882 177.096 175.328 -0.190 0.000 1.082 381 H CA 1.849 57.749 56.048 -0.247 0.000 1.342 381 H CB 0.048 29.323 29.762 -0.813 0.000 1.389 381 H HN 0.223 nan 8.280 nan 0.000 0.511 382 Y N -0.035 120.304 120.300 0.066 0.000 2.490 382 Y HA 0.109 4.688 4.550 0.049 0.000 0.285 382 Y C 0.851 176.704 175.900 -0.078 0.000 1.117 382 Y CA 0.467 58.615 58.100 0.080 0.000 1.262 382 Y CB 0.258 38.926 38.460 0.347 0.000 1.043 382 Y HN 0.037 nan 8.280 nan 0.000 0.553 383 T N 1.786 116.327 114.554 -0.022 0.000 2.902 383 T HA -0.098 4.282 4.350 0.051 0.000 0.301 383 T C -0.171 174.157 174.700 -0.620 0.000 1.012 383 T CA -0.046 61.756 62.100 -0.496 0.000 1.151 383 T CB 0.158 68.432 68.868 -0.991 0.000 0.946 383 T HN 0.083 nan 8.240 nan 0.000 0.542 384 D N 2.061 122.135 120.400 -0.543 0.000 2.365 384 D HA 0.077 4.747 4.640 0.051 0.000 0.237 384 D C 0.029 176.033 176.300 -0.492 0.000 1.190 384 D CA -0.504 53.239 54.000 -0.429 0.000 0.867 384 D CB 0.469 41.009 40.800 -0.434 0.000 1.050 384 D HN 0.633 nan 8.370 nan 0.000 0.491 385 W N 3.213 124.420 121.300 -0.155 0.000 2.937 385 W HA 0.070 4.758 4.660 0.047 0.000 0.245 385 W C 1.976 178.378 176.519 -0.195 0.000 1.306 385 W CA -0.291 56.970 57.345 -0.139 0.000 1.470 385 W CB 0.104 29.500 29.460 -0.107 0.000 1.132 385 W HN 0.427 nan 8.180 nan 0.000 0.675 386 L N -1.220 119.899 121.223 -0.174 0.000 2.131 386 L HA -0.078 4.292 4.340 0.051 0.000 0.206 386 L C 0.348 176.834 176.870 -0.641 0.000 1.087 386 L CA 1.154 55.730 54.840 -0.440 0.000 0.767 386 L CB -0.307 41.373 42.059 -0.632 0.000 0.917 386 L HN 0.007 nan 8.230 nan 0.000 0.441 387 H N -2.212 116.727 119.070 -0.219 0.000 2.386 387 H HA 0.178 4.743 4.556 0.015 0.000 0.232 387 H C -1.923 173.239 175.328 -0.275 0.000 1.416 387 H CA -1.405 54.503 56.048 -0.234 0.000 1.285 387 H CB 0.243 29.797 29.762 -0.347 0.000 1.625 387 H HN -0.026 nan 8.280 nan 0.000 0.521 388 P HA -0.142 nan 4.420 nan 0.000 0.218 388 P C 0.757 177.935 177.300 -0.203 0.000 1.149 388 P CA 1.266 64.183 63.100 -0.305 0.000 0.817 388 P CB 0.507 32.105 31.700 -0.171 0.000 0.785 389 E N -1.262 118.886 120.200 -0.087 0.000 2.538 389 E HA 0.046 4.427 4.350 0.051 0.000 0.207 389 E C -0.163 176.418 176.600 -0.032 0.000 1.002 389 E CA -0.146 56.224 56.400 -0.051 0.000 0.952 389 E CB -0.024 29.667 29.700 -0.015 0.000 1.031 389 E HN 0.224 nan 8.360 nan 0.000 0.476 390 D N 2.324 122.720 120.400 -0.005 0.000 2.412 390 D HA -0.008 4.663 4.640 0.051 0.000 0.257 390 D C -1.660 174.633 176.300 -0.011 0.000 1.217 390 D CA -1.607 52.414 54.000 0.036 0.000 0.897 390 D CB 1.243 42.148 40.800 0.175 0.000 1.132 390 D HN -0.146 nan 8.370 nan 0.000 0.493 391 P HA -0.097 nan 4.420 nan 0.000 0.218 391 P C 1.102 178.329 177.300 -0.121 0.000 1.149 391 P CA 0.946 63.988 63.100 -0.096 0.000 0.817 391 P CB 0.225 31.861 31.700 -0.107 0.000 0.785 392 T N -1.826 112.657 114.554 -0.117 0.000 2.777 392 T HA -0.148 4.232 4.350 0.051 0.000 0.266 392 T C 1.528 176.138 174.700 -0.149 0.000 1.040 392 T CA 1.449 63.458 62.100 -0.151 0.000 1.141 392 T CB -0.979 67.774 68.868 -0.191 0.000 0.868 392 T HN 0.283 nan 8.240 nan 0.000 0.444 393 H N 0.541 119.542 119.070 -0.114 0.000 2.321 393 H HA 0.106 4.684 4.556 0.037 0.000 0.300 393 H C 2.146 177.362 175.328 -0.187 0.000 1.087 393 H CA 1.141 57.115 56.048 -0.123 0.000 1.319 393 H CB -0.244 29.441 29.762 -0.129 0.000 1.379 393 H HN 0.175 nan 8.280 nan 0.000 0.501 394 L N 0.139 121.285 121.223 -0.127 0.000 2.083 394 L HA -0.169 4.201 4.340 0.051 0.000 0.209 394 L C 2.739 179.516 176.870 -0.154 0.000 1.083 394 L CA 1.000 55.630 54.840 -0.350 0.000 0.752 394 L CB -0.307 41.577 42.059 -0.292 0.000 0.899 394 L HN 0.253 nan 8.230 nan 0.000 0.433 395 R N 0.569 121.043 120.500 -0.043 0.000 2.070 395 R HA -0.180 4.190 4.340 0.051 0.000 0.233 395 R C 1.666 178.087 176.300 0.201 0.000 1.137 395 R CA 2.144 58.304 56.100 0.100 0.000 0.945 395 R CB -0.408 29.814 30.300 -0.130 0.000 0.845 395 R HN 0.331 nan 8.270 nan 0.000 0.430 396 D N 0.487 120.960 120.400 0.120 0.000 2.144 396 D HA -0.087 4.583 4.640 0.051 0.000 0.200 396 D C 1.758 178.167 176.300 0.182 0.000 0.978 396 D CA 1.392 55.497 54.000 0.175 0.000 0.833 396 D CB -0.245 40.626 40.800 0.118 0.000 0.961 396 D HN 0.376 nan 8.370 nan 0.000 0.470 397 A N 0.776 123.663 122.820 0.112 0.000 1.902 397 A HA -0.174 4.176 4.320 0.051 0.000 0.217 397 A C 2.157 179.861 177.584 0.201 0.000 1.181 397 A CA 1.620 53.748 52.037 0.150 0.000 0.623 397 A CB -0.509 18.439 19.000 -0.087 0.000 0.818 397 A HN 0.146 nan 8.150 nan 0.000 0.443 398 M N -0.012 119.748 119.600 0.267 0.000 2.080 398 M HA -0.117 4.393 4.480 0.051 0.000 0.260 398 M C 2.314 178.694 176.300 0.134 0.000 1.068 398 M CA 2.217 57.716 55.300 0.332 0.000 1.109 398 M CB -0.628 32.213 32.600 0.401 0.000 1.342 398 M HN 0.409 nan 8.290 nan 0.000 0.405 399 S N -0.332 115.464 115.700 0.160 0.000 2.353 399 S HA -0.146 4.354 4.470 0.051 0.000 0.222 399 S C 2.067 176.761 174.600 0.158 0.000 1.035 399 S CA 1.799 60.102 58.200 0.173 0.000 1.025 399 S CB -0.727 62.640 63.200 0.278 0.000 0.902 399 S HN 0.651 nan 8.310 nan 0.000 0.440 400 A N 0.905 123.837 122.820 0.187 0.000 1.908 400 A HA -0.043 4.307 4.320 0.051 0.000 0.218 400 A C 2.379 180.025 177.584 0.104 0.000 1.181 400 A CA 1.928 54.103 52.037 0.230 0.000 0.627 400 A CB -1.255 17.987 19.000 0.404 0.000 0.818 400 A HN 0.470 nan 8.150 nan 0.000 0.445 401 V N -0.393 119.410 119.914 -0.186 0.000 2.252 401 V HA -0.295 3.856 4.120 0.051 0.000 0.249 401 V C 2.592 178.638 176.094 -0.080 0.000 1.056 401 V CA 2.287 64.427 62.300 -0.268 0.000 1.022 401 V CB -0.862 30.820 31.823 -0.235 0.000 0.641 401 V HN 0.399 nan 8.190 nan 0.000 0.445 402 V N 0.513 120.406 119.914 -0.036 0.000 2.270 402 V HA -0.158 3.992 4.120 0.051 0.000 0.245 402 V C 2.627 178.652 176.094 -0.115 0.000 1.043 402 V CA 2.206 64.474 62.300 -0.053 0.000 1.014 402 V CB -1.438 30.404 31.823 0.032 0.000 0.645 402 V HN 0.615 nan 8.190 nan 0.000 0.447 403 G N -0.220 108.582 108.800 0.004 0.000 2.446 403 G HA2 -0.269 3.722 3.960 0.051 0.000 0.217 403 G HA3 -0.269 3.722 3.960 0.051 0.000 0.217 403 G C 1.241 176.099 174.900 -0.070 0.000 1.168 403 G CA 1.168 46.282 45.100 0.023 0.000 0.771 403 G HN 0.505 nan 8.290 nan 0.000 0.551 404 D N -0.270 120.107 120.400 -0.038 0.000 2.097 404 D HA -0.095 4.575 4.640 0.051 0.000 0.195 404 D C 2.136 178.158 176.300 -0.463 0.000 0.989 404 D CA 1.311 55.256 54.000 -0.093 0.000 0.827 404 D CB -0.533 40.389 40.800 0.204 0.000 0.966 404 D HN 0.377 nan 8.370 nan 0.000 0.456 405 H N 0.884 119.407 119.070 -0.913 0.000 2.353 405 H HA 0.002 4.589 4.556 0.050 0.000 0.300 405 H C 1.472 176.392 175.328 -0.679 0.000 1.090 405 H CA 1.641 56.928 56.048 -1.269 0.000 1.327 405 H CB 0.031 29.051 29.762 -1.236 0.000 1.383 405 H HN 0.017 nan 8.280 nan 0.000 0.508 406 N N -0.963 117.316 118.700 -0.701 0.000 2.415 406 N HA 0.010 4.781 4.740 0.051 0.000 0.174 406 N C 1.335 176.592 175.510 -0.422 0.000 1.048 406 N CA 1.049 53.599 53.050 -0.834 0.000 0.895 406 N CB 1.045 38.463 38.487 -1.783 0.000 1.036 406 N HN 0.264 nan 8.380 nan 0.000 0.449 407 V N -0.414 119.326 119.914 -0.290 0.000 3.161 407 V HA 0.070 4.220 4.120 0.051 0.000 0.221 407 V C 2.137 178.197 176.094 -0.057 0.000 1.296 407 V CA 0.230 62.494 62.300 -0.060 0.000 1.306 407 V CB 0.052 31.922 31.823 0.079 0.000 1.171 407 V HN -0.167 nan 8.190 nan 0.000 0.513 408 V N -0.085 119.796 119.914 -0.054 0.000 2.343 408 V HA -0.272 3.879 4.120 0.051 0.000 0.247 408 V C 2.464 178.532 176.094 -0.044 0.000 1.051 408 V CA 2.529 64.811 62.300 -0.030 0.000 1.036 408 V CB -0.678 31.160 31.823 0.025 0.000 0.654 408 V HN 0.652 nan 8.190 nan 0.000 0.451 409 c N -0.572 117.992 118.600 -0.059 0.000 2.486 409 c HA 0.036 4.637 4.570 0.051 0.000 0.279 409 c C 0.580 174.646 174.090 -0.040 0.000 1.302 409 c CA 0.769 57.094 56.329 -0.006 0.000 1.720 409 c CB -1.706 40.838 42.510 0.057 0.000 2.030 409 c HN 0.444 nan 8.230 nan 0.000 0.490 410 P HA -0.106 nan 4.420 nan 0.000 0.216 410 P C 1.760 178.997 177.300 -0.105 0.000 1.153 410 P CA 1.500 64.531 63.100 -0.115 0.000 0.858 410 P CB -0.162 31.436 31.700 -0.170 0.000 0.789 411 V N 0.088 119.941 119.914 -0.102 0.000 2.255 411 V HA -0.291 3.859 4.120 0.051 0.000 0.247 411 V C 2.462 178.458 176.094 -0.165 0.000 1.051 411 V CA 2.403 64.626 62.300 -0.129 0.000 1.018 411 V CB -1.716 30.030 31.823 -0.127 0.000 0.641 411 V HN 0.113 nan 8.190 nan 0.000 0.445 412 A N -0.564 122.178 122.820 -0.129 0.000 1.908 412 A HA -0.334 4.016 4.320 0.051 0.000 0.218 412 A C 2.195 179.747 177.584 -0.053 0.000 1.181 412 A CA 2.342 54.314 52.037 -0.109 0.000 0.627 412 A CB -0.597 18.397 19.000 -0.011 0.000 0.818 412 A HN 0.619 nan 8.150 nan 0.000 0.445 413 Q N -0.650 119.134 119.800 -0.028 0.000 2.030 413 Q HA -0.183 4.188 4.340 0.051 0.000 0.204 413 Q C 1.906 177.885 176.000 -0.035 0.000 0.986 413 Q CA 2.013 57.812 55.803 -0.007 0.000 0.843 413 Q CB -0.445 28.286 28.738 -0.012 0.000 0.904 413 Q HN 0.523 nan 8.270 nan 0.000 0.420 414 L N 0.333 121.505 121.223 -0.085 0.000 1.994 414 L HA -0.087 4.283 4.340 0.051 0.000 0.208 414 L C 2.268 179.060 176.870 -0.129 0.000 1.071 414 L CA 2.373 57.146 54.840 -0.112 0.000 0.745 414 L CB -1.181 40.794 42.059 -0.140 0.000 0.892 414 L HN 0.320 nan 8.230 nan 0.000 0.431 415 A N -0.516 122.186 122.820 -0.195 0.000 1.927 415 A HA -0.210 4.141 4.320 0.051 0.000 0.220 415 A C 2.314 179.874 177.584 -0.041 0.000 1.185 415 A CA 2.064 53.931 52.037 -0.283 0.000 0.639 415 A CB -1.702 16.846 19.000 -0.754 0.000 0.820 415 A HN 0.589 nan 8.150 nan 0.000 0.451 416 G N -1.302 107.539 108.800 0.069 0.000 2.394 416 G HA2 -0.129 3.861 3.960 0.051 0.000 0.215 416 G HA3 -0.129 3.861 3.960 0.051 0.000 0.215 416 G C 1.654 176.633 174.900 0.131 0.000 1.165 416 G CA 0.635 45.868 45.100 0.221 0.000 0.784 416 G HN 0.384 nan 8.290 nan 0.000 0.535 417 R N 0.299 120.844 120.500 0.076 0.000 2.075 417 R HA 0.120 4.491 4.340 0.051 0.000 0.232 417 R C 2.627 178.994 176.300 0.112 0.000 1.126 417 R CA 0.496 56.651 56.100 0.091 0.000 0.963 417 R CB -1.180 29.166 30.300 0.078 0.000 0.858 417 R HN 0.387 nan 8.270 nan 0.000 0.435 418 L N 0.202 121.430 121.223 0.007 0.000 2.017 418 L HA -0.136 4.235 4.340 0.051 0.000 0.208 418 L C 2.567 179.488 176.870 0.086 0.000 1.073 418 L CA 1.496 56.308 54.840 -0.046 0.000 0.745 418 L CB -0.638 41.297 42.059 -0.207 0.000 0.894 418 L HN 0.156 nan 8.230 nan 0.000 0.432 419 A N -0.158 122.723 122.820 0.101 0.000 1.930 419 A HA -0.116 4.234 4.320 0.051 0.000 0.217 419 A C 2.480 180.127 177.584 0.105 0.000 1.175 419 A CA 1.567 53.675 52.037 0.118 0.000 0.627 419 A CB -0.639 18.473 19.000 0.186 0.000 0.815 419 A HN 0.400 nan 8.150 nan 0.000 0.443 420 A N -1.124 121.764 122.820 0.112 0.000 2.015 420 A HA -0.093 4.257 4.320 0.051 0.000 0.219 420 A C 1.817 179.461 177.584 0.100 0.000 1.163 420 A CA 1.480 53.572 52.037 0.092 0.000 0.646 420 A CB -0.273 18.781 19.000 0.089 0.000 0.806 420 A HN 0.586 nan 8.150 nan 0.000 0.448 421 Q N -1.673 118.219 119.800 0.153 0.000 2.211 421 Q HA 0.388 4.758 4.340 0.051 0.000 0.231 421 Q C 0.844 176.946 176.000 0.170 0.000 0.865 421 Q CA 0.417 56.319 55.803 0.165 0.000 0.997 421 Q CB 0.460 29.341 28.738 0.240 0.000 1.101 421 Q HN 0.772 nan 8.270 nan 0.000 0.468 422 G N -0.370 108.510 108.800 0.133 0.000 2.213 422 G HA2 -0.270 3.721 3.960 0.051 0.000 0.226 422 G HA3 -0.270 3.721 3.960 0.051 0.000 0.226 422 G C 0.301 175.273 174.900 0.120 0.000 0.992 422 G CA -0.218 44.946 45.100 0.105 0.000 0.632 422 G HN 0.532 nan 8.290 nan 0.000 0.511 423 A N 0.347 123.262 122.820 0.158 0.000 2.425 423 A HA 0.667 5.018 4.320 0.051 0.000 0.249 423 A C 0.738 178.361 177.584 0.065 0.000 1.084 423 A CA 0.604 52.713 52.037 0.120 0.000 0.781 423 A CB 0.258 19.308 19.000 0.084 0.000 1.019 423 A HN 0.864 nan 8.150 nan 0.000 0.490 424 R N 2.059 122.595 120.500 0.060 0.000 2.248 424 R HA 0.456 4.826 4.340 0.051 0.000 0.328 424 R C -1.424 174.876 176.300 0.000 0.000 1.067 424 R CA -0.063 56.044 56.100 0.013 0.000 0.924 424 R CB 0.197 30.535 30.300 0.062 0.000 1.013 424 R HN 0.445 nan 8.270 nan 0.000 0.454 425 V N 5.930 125.764 119.914 -0.132 0.000 2.588 425 V HA 0.400 4.550 4.120 0.051 0.000 0.304 425 V C -1.162 174.751 176.094 -0.301 0.000 1.042 425 V CA -0.809 61.434 62.300 -0.095 0.000 0.877 425 V CB 1.560 33.388 31.823 0.008 0.000 0.996 425 V HN 0.655 nan 8.190 nan 0.000 0.425 426 Y N 2.114 122.384 120.300 -0.050 0.000 2.409 426 Y HA 0.812 5.392 4.550 0.050 0.000 0.343 426 Y C 0.327 176.300 175.900 0.122 0.000 0.973 426 Y CA -0.544 57.520 58.100 -0.061 0.000 1.064 426 Y CB 2.257 40.332 38.460 -0.642 0.000 1.207 426 Y HN 0.780 nan 8.280 nan 0.000 0.452 427 A N 2.982 126.166 122.820 0.608 0.000 2.413 427 A HA 0.881 5.232 4.320 0.051 0.000 0.307 427 A C -1.883 176.096 177.584 0.658 0.000 1.087 427 A CA -0.713 51.575 52.037 0.418 0.000 0.750 427 A CB 1.138 20.211 19.000 0.122 0.000 1.296 427 A HN 0.756 nan 8.150 nan 0.000 0.423 428 Y N -0.652 119.888 120.300 0.400 0.000 2.597 428 Y HA 0.786 5.366 4.550 0.050 0.000 0.340 428 Y C -1.211 174.856 175.900 0.279 0.000 1.097 428 Y CA -1.547 56.739 58.100 0.309 0.000 1.037 428 Y CB 1.281 39.913 38.460 0.287 0.000 1.305 428 Y HN 0.731 nan 8.280 nan 0.000 0.463 429 I N 3.361 124.220 120.570 0.482 0.000 2.465 429 I HA 0.507 4.707 4.170 0.051 0.000 0.291 429 I C -1.887 174.561 176.117 0.551 0.000 1.014 429 I CA -1.061 60.490 61.300 0.418 0.000 1.093 429 I CB 1.229 39.405 38.000 0.293 0.000 1.267 429 I HN 0.734 nan 8.210 nan 0.000 0.431 430 F N 7.320 127.549 119.950 0.465 0.000 2.385 430 F HA 0.429 4.987 4.527 0.051 0.000 0.360 430 F C 0.233 176.192 175.800 0.264 0.000 1.122 430 F CA -0.113 58.116 58.000 0.382 0.000 1.090 430 F CB 0.966 40.220 39.000 0.424 0.000 1.150 430 F HN 0.547 nan 8.300 nan 0.000 0.472 431 E N 3.232 123.343 120.200 -0.149 0.000 2.758 431 E HA 0.018 4.398 4.350 0.051 0.000 0.215 431 E C -0.852 175.643 176.600 -0.175 0.000 0.985 431 E CA -0.256 56.117 56.400 -0.045 0.000 1.102 431 E CB 0.252 29.949 29.700 -0.006 0.000 1.042 431 E HN 0.547 nan 8.360 nan 0.000 0.480 432 H N 1.861 120.585 119.070 -0.576 0.000 2.562 432 H HA 0.247 4.833 4.556 0.051 0.000 0.314 432 H C -0.401 174.904 175.328 -0.039 0.000 1.079 432 H CA -0.494 55.282 56.048 -0.454 0.000 1.349 432 H CB 0.667 29.907 29.762 -0.869 0.000 1.432 432 H HN -0.105 nan 8.280 nan 0.000 0.479 433 R N 4.326 124.492 120.500 -0.557 0.000 2.207 433 R HA 0.493 4.863 4.340 0.051 0.000 0.334 433 R C -0.591 175.477 176.300 -0.385 0.000 1.013 433 R CA -0.679 55.269 56.100 -0.254 0.000 0.858 433 R CB 0.369 30.595 30.300 -0.125 0.000 1.094 433 R HN 0.827 nan 8.270 nan 0.000 0.457 434 A N 3.003 125.898 122.820 0.125 0.000 2.587 434 A HA -0.033 4.317 4.320 0.051 0.000 0.235 434 A C 1.289 178.976 177.584 0.171 0.000 1.044 434 A CA 0.623 52.923 52.037 0.439 0.000 0.754 434 A CB 0.265 19.634 19.000 0.617 0.000 0.968 434 A HN 1.002 nan 8.150 nan 0.000 0.509 435 S N 1.084 116.912 115.700 0.212 0.000 2.481 435 S HA -0.125 4.376 4.470 0.051 0.000 0.231 435 S C 1.317 175.913 174.600 -0.007 0.000 0.996 435 S CA 1.378 59.629 58.200 0.084 0.000 0.942 435 S CB -0.653 62.618 63.200 0.119 0.000 0.768 435 S HN 1.255 nan 8.310 nan 0.000 0.520 436 T N -0.908 113.611 114.554 -0.059 0.000 3.086 436 T HA 0.370 4.751 4.350 0.051 0.000 0.250 436 T C 0.336 174.966 174.700 -0.118 0.000 1.074 436 T CA -0.529 61.469 62.100 -0.169 0.000 0.988 436 T CB -0.510 68.115 68.868 -0.406 0.000 0.988 436 T HN 0.258 nan 8.240 nan 0.000 0.530 437 L N 3.644 124.840 121.223 -0.045 0.000 2.499 437 L HA 0.233 4.603 4.340 0.051 0.000 0.273 437 L C 1.667 178.484 176.870 -0.089 0.000 1.195 437 L CA 0.604 55.408 54.840 -0.060 0.000 0.882 437 L CB 0.881 42.922 42.059 -0.030 0.000 1.133 437 L HN 0.402 nan 8.230 nan 0.000 0.483 438 T N -0.829 113.621 114.554 -0.173 0.000 3.044 438 T HA 0.083 4.463 4.350 0.051 0.000 0.250 438 T C 0.320 174.997 174.700 -0.038 0.000 1.081 438 T CA -0.437 61.565 62.100 -0.164 0.000 1.040 438 T CB -0.258 68.402 68.868 -0.347 0.000 0.962 438 T HN 0.403 nan 8.240 nan 0.000 0.506 439 W N 3.539 124.866 121.300 0.046 0.000 2.150 439 W HA 0.382 5.072 4.660 0.050 0.000 0.341 439 W C -1.920 174.517 176.519 -0.137 0.000 1.276 439 W CA -2.196 55.138 57.345 -0.018 0.000 1.238 439 W CB 0.124 29.508 29.460 -0.126 0.000 1.128 439 W HN -0.015 nan 8.180 nan 0.000 0.581 440 P HA 0.007 nan 4.420 nan 0.000 0.273 440 P C 0.475 177.700 177.300 -0.125 0.000 1.250 440 P CA 0.016 63.093 63.100 -0.039 0.000 0.793 440 P CB 0.896 32.596 31.700 -0.001 0.000 1.011 441 L N -0.084 121.128 121.223 -0.019 0.000 2.141 441 L HA -0.105 4.265 4.340 0.051 0.000 0.209 441 L C 2.601 179.484 176.870 0.021 0.000 1.094 441 L CA 1.251 56.094 54.840 0.005 0.000 0.763 441 L CB -0.866 41.226 42.059 0.055 0.000 0.908 441 L HN 0.599 nan 8.230 nan 0.000 0.437 442 W N -0.503 120.837 121.300 0.068 0.000 2.421 442 W HA -0.174 4.516 4.660 0.049 0.000 0.270 442 W C 1.735 178.312 176.519 0.096 0.000 1.233 442 W CA 0.583 57.971 57.345 0.072 0.000 1.226 442 W CB -0.805 28.698 29.460 0.071 0.000 1.121 442 W HN 0.185 nan 8.180 nan 0.000 0.579 443 M N 1.265 120.463 119.600 -0.671 0.000 2.476 443 M HA 0.095 4.605 4.480 0.051 0.000 0.262 443 M C 1.886 178.075 176.300 -0.184 0.000 1.079 443 M CA 1.586 56.486 55.300 -0.667 0.000 1.104 443 M CB -0.864 31.229 32.600 -0.846 0.000 1.409 443 M HN 0.213 nan 8.290 nan 0.000 0.467 444 G N 0.820 109.573 108.800 -0.078 0.000 2.596 444 G HA2 -0.295 3.695 3.960 0.051 0.000 0.304 444 G HA3 -0.295 3.695 3.960 0.051 0.000 0.304 444 G C -0.070 174.847 174.900 0.028 0.000 1.189 444 G CA -0.049 45.059 45.100 0.014 0.000 0.986 444 G HN 0.264 nan 8.290 nan 0.000 0.548 445 V N 3.701 123.676 119.914 0.100 0.000 2.288 445 V HA 0.470 4.621 4.120 0.051 0.000 0.266 445 V C -1.815 174.408 176.094 0.216 0.000 1.048 445 V CA -0.798 61.613 62.300 0.186 0.000 0.842 445 V CB 1.027 33.020 31.823 0.283 0.000 1.064 445 V HN 0.532 nan 8.190 nan 0.000 0.472 446 P HA 0.199 nan 4.420 nan 0.000 0.276 446 P C -0.196 177.303 177.300 0.331 0.000 1.244 446 P CA -0.578 62.644 63.100 0.202 0.000 0.801 446 P CB 0.379 32.095 31.700 0.027 0.000 1.006 447 H N 0.879 120.019 119.070 0.116 0.000 3.214 447 H HA 0.175 4.761 4.556 0.050 0.000 0.291 447 H C 1.607 176.815 175.328 -0.200 0.000 0.926 447 H CA 2.508 58.557 56.048 0.001 0.000 1.409 447 H CB -0.726 29.021 29.762 -0.024 0.000 1.406 447 H HN 0.769 nan 8.280 nan 0.000 0.561 448 G N 3.444 111.988 108.800 -0.428 0.000 2.234 448 G HA2 -0.321 3.669 3.960 0.051 0.000 0.235 448 G HA3 -0.321 3.669 3.960 0.051 0.000 0.235 448 G C 0.636 175.383 174.900 -0.255 0.000 0.997 448 G CA 0.344 45.168 45.100 -0.460 0.000 0.623 448 G HN 0.642 nan 8.290 nan 0.000 0.514 449 Y N 1.708 122.074 120.300 0.110 0.000 2.462 449 Y HA 0.250 4.831 4.550 0.051 0.000 0.293 449 Y C 2.311 178.305 175.900 0.157 0.000 1.195 449 Y CA 0.957 59.180 58.100 0.205 0.000 1.276 449 Y CB 0.397 39.023 38.460 0.277 0.000 1.082 449 Y HN 0.499 nan 8.280 nan 0.000 0.514 450 E N 0.282 120.420 120.200 -0.104 0.000 2.400 450 E HA -0.052 4.328 4.350 0.051 0.000 0.195 450 E C 1.533 178.005 176.600 -0.214 0.000 1.012 450 E CA 0.628 56.652 56.400 -0.626 0.000 0.875 450 E CB -0.357 28.579 29.700 -1.273 0.000 0.859 450 E HN 0.550 nan 8.360 nan 0.000 0.498 451 I N 2.708 123.237 120.570 -0.068 0.000 2.226 451 I HA -0.283 3.917 4.170 0.051 0.000 0.245 451 I C 2.680 178.766 176.117 -0.052 0.000 1.100 451 I CA 1.953 63.248 61.300 -0.008 0.000 1.374 451 I CB -0.477 37.568 38.000 0.076 0.000 1.057 451 I HN 0.186 nan 8.210 nan 0.000 0.413 452 E N 1.216 121.323 120.200 -0.155 0.000 2.160 452 E HA -0.233 4.147 4.350 0.051 0.000 0.195 452 E C 2.036 178.349 176.600 -0.478 0.000 0.991 452 E CA 1.484 57.684 56.400 -0.333 0.000 0.810 452 E CB -0.536 28.938 29.700 -0.376 0.000 0.742 452 E HN 0.435 nan 8.360 nan 0.000 0.466 453 F N 1.397 121.225 119.950 -0.202 0.000 2.128 453 F HA -0.058 4.500 4.527 0.051 0.000 0.295 453 F C 2.389 177.953 175.800 -0.394 0.000 1.100 453 F CA 0.575 58.404 58.000 -0.285 0.000 1.260 453 F CB -0.232 38.696 39.000 -0.119 0.000 1.009 453 F HN -0.039 nan 8.300 nan 0.000 0.476 454 I N -0.568 119.840 120.570 -0.271 0.000 2.163 454 I HA -0.295 3.905 4.170 0.051 0.000 0.243 454 I C 2.260 178.128 176.117 -0.415 0.000 1.085 454 I CA 1.677 62.650 61.300 -0.545 0.000 1.347 454 I CB -1.579 35.977 38.000 -0.740 0.000 1.044 454 I HN 0.076 nan 8.210 nan 0.000 0.408 455 F N 1.054 120.810 119.950 -0.323 0.000 2.451 455 F HA 0.087 4.644 4.527 0.050 0.000 0.299 455 F C 1.958 177.602 175.800 -0.261 0.000 1.101 455 F CA 1.134 58.984 58.000 -0.250 0.000 1.436 455 F CB -0.462 38.369 39.000 -0.281 0.000 1.074 455 F HN 0.334 nan 8.300 nan 0.000 0.553 456 G N -0.274 108.359 108.800 -0.279 0.000 2.132 456 G HA2 -0.284 3.706 3.960 0.051 0.000 0.228 456 G HA3 -0.284 3.706 3.960 0.051 0.000 0.228 456 G C 0.933 175.237 174.900 -0.992 0.000 1.000 456 G CA 0.267 45.088 45.100 -0.465 0.000 0.693 456 G HN 0.301 nan 8.290 nan 0.000 0.515 457 L N 0.362 121.009 121.223 -0.959 0.000 2.079 457 L HA 0.021 4.391 4.340 0.051 0.000 0.210 457 L C 0.438 176.767 176.870 -0.902 0.000 1.081 457 L CA 2.678 56.876 54.840 -1.070 0.000 0.752 457 L CB -0.891 40.822 42.059 -0.576 0.000 0.896 457 L HN 0.213 nan 8.230 nan 0.000 0.433 458 P HA -0.163 nan 4.420 nan 0.000 0.223 458 P C 1.580 178.670 177.300 -0.349 0.000 1.144 458 P CA 0.980 63.591 63.100 -0.814 0.000 0.783 458 P CB 0.033 31.267 31.700 -0.777 0.000 0.771 459 L N -1.381 119.588 121.223 -0.424 0.000 2.376 459 L HA -0.034 4.336 4.340 0.051 0.000 0.219 459 L C 0.977 177.807 176.870 -0.067 0.000 1.133 459 L CA 1.112 55.830 54.840 -0.204 0.000 0.816 459 L CB -0.922 41.041 42.059 -0.160 0.000 0.933 459 L HN -0.060 nan 8.230 nan 0.000 0.449 460 D N -0.249 120.082 120.400 -0.115 0.000 2.339 460 D HA 0.100 4.770 4.640 0.051 0.000 0.241 460 D C -1.653 174.680 176.300 0.056 0.000 1.183 460 D CA -2.071 51.977 54.000 0.079 0.000 0.859 460 D CB 1.558 42.448 40.800 0.149 0.000 1.067 460 D HN -0.052 nan 8.370 nan 0.000 0.484 461 P HA -0.128 nan 4.420 nan 0.000 0.220 461 P C 1.311 178.633 177.300 0.037 0.000 1.148 461 P CA 0.867 63.994 63.100 0.046 0.000 0.803 461 P CB 0.110 31.831 31.700 0.035 0.000 0.782 462 S N -0.901 114.819 115.700 0.034 0.000 2.474 462 S HA -0.060 4.441 4.470 0.051 0.000 0.235 462 S C 1.710 176.305 174.600 -0.008 0.000 0.997 462 S CA 0.775 58.982 58.200 0.011 0.000 0.949 462 S CB -1.391 61.815 63.200 0.011 0.000 0.766 462 S HN 0.115 nan 8.310 nan 0.000 0.517 463 L N 0.741 121.972 121.223 0.014 0.000 2.509 463 L HA 0.181 4.551 4.340 0.051 0.000 0.222 463 L C 0.520 177.305 176.870 -0.140 0.000 1.123 463 L CA 0.131 54.949 54.840 -0.036 0.000 0.856 463 L CB -0.712 41.393 42.059 0.077 0.000 0.985 463 L HN 0.298 nan 8.230 nan 0.000 0.456 464 N N -1.791 116.879 118.700 -0.051 0.000 2.850 464 N HA -0.213 4.557 4.740 0.051 0.000 0.249 464 N C -0.240 175.216 175.510 -0.089 0.000 1.060 464 N CA 0.698 53.703 53.050 -0.075 0.000 0.825 464 N CB -1.534 36.884 38.487 -0.115 0.000 1.132 464 N HN 0.285 nan 8.380 nan 0.000 0.564 465 Y N 1.602 121.891 120.300 -0.019 0.000 2.511 465 Y HA 0.047 4.627 4.550 0.050 0.000 0.347 465 Y C 2.067 177.994 175.900 0.045 0.000 1.257 465 Y CA 0.687 58.804 58.100 0.029 0.000 1.469 465 Y CB 0.304 38.774 38.460 0.017 0.000 1.353 465 Y HN 0.061 nan 8.280 nan 0.000 0.617 466 T N -2.946 111.764 114.554 0.260 0.000 2.788 466 T HA 0.009 4.390 4.350 0.051 0.000 0.287 466 T C 1.246 176.028 174.700 0.137 0.000 1.007 466 T CA -0.136 62.058 62.100 0.157 0.000 1.005 466 T CB 1.157 70.108 68.868 0.139 0.000 1.012 466 T HN 0.795 nan 8.240 nan 0.000 0.530 467 T N -0.114 114.491 114.554 0.084 0.000 2.788 467 T HA -0.106 4.275 4.350 0.051 0.000 0.268 467 T C 1.601 176.335 174.700 0.056 0.000 1.044 467 T CA 1.729 63.865 62.100 0.060 0.000 1.139 467 T CB -0.658 68.233 68.868 0.038 0.000 0.867 467 T HN 0.743 nan 8.240 nan 0.000 0.454 468 E N 0.941 121.172 120.200 0.051 0.000 2.150 468 E HA -0.046 4.335 4.350 0.051 0.000 0.193 468 E C 2.216 178.840 176.600 0.040 0.000 0.985 468 E CA 1.058 57.470 56.400 0.020 0.000 0.814 468 E CB -0.116 29.574 29.700 -0.017 0.000 0.752 468 E HN 0.658 nan 8.360 nan 0.000 0.466 469 E N 0.002 120.270 120.200 0.114 0.000 2.158 469 E HA -0.057 4.323 4.350 0.051 0.000 0.191 469 E C 2.044 178.758 176.600 0.190 0.000 0.982 469 E CA 0.180 56.721 56.400 0.235 0.000 0.823 469 E CB 0.075 30.058 29.700 0.473 0.000 0.766 469 E HN 0.024 nan 8.360 nan 0.000 0.468 470 R N 1.052 121.604 120.500 0.086 0.000 2.073 470 R HA -0.125 4.246 4.340 0.051 0.000 0.234 470 R C 2.163 178.466 176.300 0.005 0.000 1.134 470 R CA 1.118 57.218 56.100 -0.000 0.000 0.952 470 R CB -0.338 29.962 30.300 0.001 0.000 0.850 470 R HN 0.200 nan 8.270 nan 0.000 0.433 471 I N 0.207 120.798 120.570 0.036 0.000 2.226 471 I HA -0.281 3.919 4.170 0.051 0.000 0.245 471 I C 2.264 178.414 176.117 0.056 0.000 1.100 471 I CA 1.010 62.327 61.300 0.028 0.000 1.374 471 I CB -0.367 37.649 38.000 0.028 0.000 1.057 471 I HN 0.099 nan 8.210 nan 0.000 0.413 472 F N 1.861 121.755 119.950 -0.094 0.000 2.102 472 F HA -0.193 4.365 4.527 0.052 0.000 0.298 472 F C 2.459 178.218 175.800 -0.069 0.000 1.105 472 F CA 1.280 59.206 58.000 -0.123 0.000 1.239 472 F CB -0.661 38.189 39.000 -0.249 0.000 0.991 472 F HN 0.011 nan 8.300 nan 0.000 0.474 473 A N 0.064 122.812 122.820 -0.120 0.000 1.908 473 A HA -0.252 4.098 4.320 0.051 0.000 0.218 473 A C 2.165 179.606 177.584 -0.238 0.000 1.181 473 A CA 1.913 53.820 52.037 -0.216 0.000 0.627 473 A CB -0.917 17.983 19.000 -0.165 0.000 0.818 473 A HN 0.619 nan 8.150 nan 0.000 0.445 474 Q N -0.801 118.902 119.800 -0.162 0.000 2.084 474 Q HA -0.182 4.189 4.340 0.051 0.000 0.202 474 Q C 2.382 178.269 176.000 -0.188 0.000 0.978 474 Q CA 1.575 57.294 55.803 -0.141 0.000 0.844 474 Q CB -0.202 28.485 28.738 -0.086 0.000 0.898 474 Q HN 0.632 nan 8.270 nan 0.000 0.426 475 R N 0.273 120.644 120.500 -0.215 0.000 2.103 475 R HA -0.164 4.207 4.340 0.051 0.000 0.242 475 R C 2.285 178.275 176.300 -0.517 0.000 1.142 475 R CA 1.335 57.219 56.100 -0.360 0.000 0.960 475 R CB -0.381 29.777 30.300 -0.238 0.000 0.858 475 R HN 0.226 nan 8.270 nan 0.000 0.439 476 L N -0.111 120.896 121.223 -0.360 0.000 2.072 476 L HA -0.122 4.248 4.340 0.051 0.000 0.205 476 L C 2.514 179.318 176.870 -0.108 0.000 1.079 476 L CA 1.212 55.938 54.840 -0.191 0.000 0.752 476 L CB -0.314 41.479 42.059 -0.444 0.000 0.906 476 L HN 0.176 nan 8.230 nan 0.000 0.436 477 M N -0.739 118.743 119.600 -0.197 0.000 2.149 477 M HA -0.217 4.293 4.480 0.051 0.000 0.261 477 M C 2.323 178.614 176.300 -0.016 0.000 1.064 477 M CA 1.599 56.824 55.300 -0.124 0.000 1.102 477 M CB -0.363 32.154 32.600 -0.138 0.000 1.369 477 M HN 0.082 nan 8.290 nan 0.000 0.408 478 K N -0.191 120.162 120.400 -0.078 0.000 2.057 478 K HA -0.151 4.199 4.320 0.051 0.000 0.207 478 K C 1.905 178.548 176.600 0.073 0.000 1.049 478 K CA 1.669 57.921 56.287 -0.059 0.000 0.931 478 K CB -0.332 32.064 32.500 -0.173 0.000 0.714 478 K HN 0.328 nan 8.250 nan 0.000 0.440 479 Y N -0.309 120.123 120.300 0.220 0.000 2.145 479 Y HA -0.221 4.359 4.550 0.050 0.000 0.286 479 Y C 2.413 178.446 175.900 0.221 0.000 1.145 479 Y CA 0.784 59.047 58.100 0.271 0.000 1.148 479 Y CB -0.824 37.955 38.460 0.532 0.000 0.981 479 Y HN 0.219 nan 8.280 nan 0.000 0.507 480 W N 0.567 121.937 121.300 0.118 0.000 2.358 480 W HA -0.212 4.478 4.660 0.050 0.000 0.303 480 W C 2.447 178.960 176.519 -0.010 0.000 1.208 480 W CA 2.178 59.531 57.345 0.013 0.000 1.274 480 W CB -0.564 28.832 29.460 -0.106 0.000 1.138 480 W HN 0.242 nan 8.180 nan 0.000 0.515 481 T N -2.324 112.332 114.554 0.170 0.000 2.896 481 T HA -0.116 4.264 4.350 0.051 0.000 0.263 481 T C 1.457 176.177 174.700 0.033 0.000 1.050 481 T CA 1.050 63.181 62.100 0.052 0.000 1.140 481 T CB -0.608 68.270 68.868 0.017 0.000 0.877 481 T HN -0.087 nan 8.240 nan 0.000 0.457 482 N N 1.044 119.780 118.700 0.059 0.000 2.104 482 N HA -0.031 4.739 4.740 0.051 0.000 0.190 482 N C 1.419 176.917 175.510 -0.021 0.000 1.024 482 N CA 1.125 54.188 53.050 0.022 0.000 0.853 482 N CB -0.716 37.802 38.487 0.052 0.000 1.008 482 N HN 0.449 nan 8.380 nan 0.000 0.424 483 F N 1.855 121.708 119.950 -0.161 0.000 2.095 483 F HA -0.186 4.372 4.527 0.051 0.000 0.298 483 F C 2.238 177.945 175.800 -0.154 0.000 1.104 483 F CA 1.589 59.440 58.000 -0.247 0.000 1.232 483 F CB -0.590 38.173 39.000 -0.395 0.000 0.987 483 F HN 0.051 nan 8.300 nan 0.000 0.475 484 A N 0.612 123.353 122.820 -0.131 0.000 1.883 484 A HA -0.234 4.116 4.320 0.051 0.000 0.217 484 A C 2.356 179.825 177.584 -0.192 0.000 1.186 484 A CA 1.995 53.929 52.037 -0.171 0.000 0.624 484 A CB -0.801 18.162 19.000 -0.062 0.000 0.822 484 A HN 0.495 nan 8.150 nan 0.000 0.444 485 R N -1.279 119.138 120.500 -0.137 0.000 2.115 485 R HA -0.074 4.296 4.340 0.051 0.000 0.230 485 R C 1.787 177.997 176.300 -0.150 0.000 1.111 485 R CA 1.809 57.841 56.100 -0.114 0.000 0.976 485 R CB -0.192 30.068 30.300 -0.068 0.000 0.870 485 R HN 0.766 nan 8.270 nan 0.000 0.445 486 T N -6.313 108.119 114.554 -0.203 0.000 3.046 486 T HA 0.231 4.611 4.350 0.051 0.000 0.270 486 T C 1.199 175.754 174.700 -0.242 0.000 0.920 486 T CA 0.340 62.335 62.100 -0.176 0.000 0.874 486 T CB 1.262 70.065 68.868 -0.108 0.000 1.214 486 T HN 0.292 nan 8.240 nan 0.000 0.536 487 G N 1.466 109.979 108.800 -0.479 0.000 2.162 487 G HA2 -0.189 3.802 3.960 0.051 0.000 0.260 487 G HA3 -0.189 3.802 3.960 0.051 0.000 0.260 487 G C -0.330 174.461 174.900 -0.181 0.000 0.976 487 G CA 0.291 45.028 45.100 -0.605 0.000 0.655 487 G HN 0.807 nan 8.290 nan 0.000 0.533 488 D N -0.404 119.889 120.400 -0.179 0.000 2.696 488 D HA 0.473 5.143 4.640 0.051 0.000 0.251 488 D C -1.273 174.851 176.300 -0.294 0.000 1.188 488 D CA -1.853 51.995 54.000 -0.254 0.000 0.876 488 D CB 2.155 42.910 40.800 -0.074 0.000 1.334 488 D HN 0.030 nan 8.370 nan 0.000 0.540 489 P HA -0.024 nan 4.420 nan 0.000 0.237 489 P C -0.076 177.229 177.300 0.010 0.000 1.178 489 P CA -0.005 62.908 63.100 -0.312 0.000 0.766 489 P CB 0.393 31.579 31.700 -0.856 0.000 0.876 490 N N 1.690 120.366 118.700 -0.041 0.000 2.520 490 N HA 0.021 4.791 4.740 0.051 0.000 0.273 490 N C 0.124 175.702 175.510 0.115 0.000 1.155 490 N CA 0.285 53.414 53.050 0.131 0.000 0.967 490 N CB 0.517 39.072 38.487 0.113 0.000 1.092 490 N HN 0.048 nan 8.380 nan 0.000 0.457 491 D N 2.573 123.061 120.400 0.147 0.000 2.412 491 D HA 0.017 4.688 4.640 0.051 0.000 0.257 491 D C -1.235 175.105 176.300 0.066 0.000 1.217 491 D CA -0.990 53.062 54.000 0.087 0.000 0.897 491 D CB 1.194 42.041 40.800 0.079 0.000 1.132 491 D HN 0.332 nan 8.370 nan 0.000 0.493 492 P HA -0.047 nan 4.420 nan 0.000 0.233 492 P C 0.466 177.786 177.300 0.033 0.000 1.167 492 P CA 0.637 63.758 63.100 0.034 0.000 0.770 492 P CB 0.347 32.058 31.700 0.019 0.000 0.837 493 R N 0.288 120.808 120.500 0.033 0.000 2.772 493 R HA 0.355 4.725 4.340 0.051 0.000 0.358 493 R C -0.800 175.521 176.300 0.034 0.000 1.143 493 R CA -0.431 55.687 56.100 0.030 0.000 1.153 493 R CB -1.282 29.031 30.300 0.022 0.000 1.329 493 R HN 0.090 nan 8.270 nan 0.000 0.615 494 D N -0.721 119.707 120.400 0.047 0.000 2.505 494 D HA 0.205 4.875 4.640 0.051 0.000 0.250 494 D C 0.226 176.562 176.300 0.060 0.000 1.164 494 D CA -0.026 54.006 54.000 0.052 0.000 0.870 494 D CB 2.080 42.918 40.800 0.064 0.000 1.160 494 D HN 0.002 nan 8.370 nan 0.000 0.549 495 S N 3.288 119.018 115.700 0.050 0.000 2.614 495 S HA 0.254 4.755 4.470 0.051 0.000 0.230 495 S C -0.010 174.620 174.600 0.050 0.000 0.952 495 S CA -0.302 57.927 58.200 0.049 0.000 0.949 495 S CB -0.226 62.997 63.200 0.038 0.000 0.786 495 S HN 0.386 nan 8.310 nan 0.000 0.478 496 K N -0.398 120.036 120.400 0.057 0.000 2.557 496 K HA 0.554 4.904 4.320 0.051 0.000 0.261 496 K C -0.177 176.465 176.600 0.069 0.000 0.932 496 K CA -0.012 56.308 56.287 0.056 0.000 0.829 496 K CB 1.403 33.928 32.500 0.043 0.000 1.358 496 K HN 0.063 nan 8.250 nan 0.000 0.430 497 S N 1.047 116.791 115.700 0.075 0.000 5.776 497 S HA 0.350 4.851 4.470 0.051 0.000 0.126 497 S C -2.182 172.473 174.600 0.091 0.000 1.108 497 S CA -0.273 57.988 58.200 0.101 0.000 1.418 497 S CB -0.636 62.645 63.200 0.135 0.000 2.040 497 S HN 0.556 nan 8.310 nan 0.000 0.591 498 P HA 0.369 nan 4.420 nan 0.000 0.282 498 P C -0.784 176.589 177.300 0.122 0.000 1.286 498 P CA -0.159 62.990 63.100 0.082 0.000 0.777 498 P CB 0.255 31.989 31.700 0.056 0.000 1.184 499 Q N -1.319 118.561 119.800 0.134 0.000 2.306 499 Q HA 0.120 4.490 4.340 0.051 0.000 0.241 499 Q C -0.511 175.644 176.000 0.258 0.000 0.948 499 Q CA 0.048 55.968 55.803 0.195 0.000 0.886 499 Q CB 0.537 29.380 28.738 0.175 0.000 1.227 499 Q HN 0.532 nan 8.270 nan 0.000 0.457 500 W N 5.643 126.998 121.300 0.092 0.000 2.357 500 W HA 0.291 4.982 4.660 0.053 0.000 0.317 500 W C -2.440 174.218 176.519 0.232 0.000 1.101 500 W CA -2.499 54.911 57.345 0.108 0.000 1.380 500 W CB 0.306 29.771 29.460 0.008 0.000 1.266 500 W HN 0.372 nan 8.180 nan 0.000 0.419 501 P HA 0.284 nan 4.420 nan 0.000 0.281 501 P C -2.650 174.842 177.300 0.320 0.000 1.249 501 P CA -1.836 61.487 63.100 0.371 0.000 0.810 501 P CB 0.893 32.720 31.700 0.213 0.000 1.008 502 P HA 0.057 nan 4.420 nan 0.000 0.268 502 P C -0.484 176.788 177.300 -0.045 0.000 1.205 502 P CA 0.134 63.011 63.100 -0.372 0.000 0.771 502 P CB -0.022 31.450 31.700 -0.381 0.000 0.858 503 Y N 3.456 123.697 120.300 -0.099 0.000 2.526 503 Y HA 0.248 4.827 4.550 0.050 0.000 0.330 503 Y C 0.601 176.487 175.900 -0.023 0.000 1.156 503 Y CA 0.965 59.074 58.100 0.015 0.000 1.419 503 Y CB 0.151 38.643 38.460 0.055 0.000 1.250 503 Y HN 0.423 nan 8.280 nan 0.000 0.540 504 T N 0.030 114.332 114.554 -0.418 0.000 2.901 504 T HA 0.266 4.646 4.350 0.051 0.000 0.293 504 T C 0.840 175.308 174.700 -0.388 0.000 1.084 504 T CA -0.233 61.719 62.100 -0.247 0.000 1.008 504 T CB 1.271 70.054 68.868 -0.141 0.000 1.170 504 T HN 0.606 nan 8.240 nan 0.000 0.509 505 T N -1.261 113.212 114.554 -0.135 0.000 2.904 505 T HA 0.101 4.482 4.350 0.051 0.000 0.267 505 T C 2.243 176.892 174.700 -0.084 0.000 1.059 505 T CA 0.852 62.907 62.100 -0.075 0.000 1.137 505 T CB -0.764 68.118 68.868 0.023 0.000 0.879 505 T HN 0.844 nan 8.240 nan 0.000 0.467 506 A N 1.901 124.675 122.820 -0.078 0.000 1.841 506 A HA 0.460 4.811 4.320 0.051 0.000 0.214 506 A C 2.686 180.228 177.584 -0.070 0.000 1.195 506 A CA 1.709 53.714 52.037 -0.053 0.000 0.611 506 A CB -1.232 17.746 19.000 -0.036 0.000 0.835 506 A HN 0.744 nan 8.150 nan 0.000 0.443 507 A N -2.380 120.374 122.820 -0.110 0.000 2.115 507 A HA 0.273 4.624 4.320 0.051 0.000 0.211 507 A C 0.989 178.491 177.584 -0.137 0.000 1.169 507 A CA 0.877 52.857 52.037 -0.094 0.000 0.787 507 A CB -0.229 18.730 19.000 -0.068 0.000 0.858 507 A HN 0.553 nan 8.150 nan 0.000 0.474 508 Q N -0.412 119.187 119.800 -0.335 0.000 2.457 508 Q HA -0.233 4.138 4.340 0.051 0.000 0.283 508 Q C -0.651 175.294 176.000 -0.092 0.000 1.234 508 Q CA 0.722 56.228 55.803 -0.495 0.000 0.877 508 Q CB -1.779 26.890 28.738 -0.114 0.000 1.250 508 Q HN 0.831 nan 8.270 nan 0.000 0.481 509 Q N 0.430 120.185 119.800 -0.075 0.000 2.304 509 Q HA 0.428 4.799 4.340 0.051 0.000 0.260 509 Q C -0.399 175.831 176.000 0.384 0.000 0.965 509 Q CA 0.027 55.898 55.803 0.114 0.000 0.898 509 Q CB 0.513 29.283 28.738 0.052 0.000 1.196 509 Q HN 0.332 nan 8.270 nan 0.000 0.402 510 Y N -1.086 119.351 120.300 0.228 0.000 2.644 510 Y HA 0.768 5.348 4.550 0.049 0.000 0.338 510 Y C -0.981 174.948 175.900 0.049 0.000 1.119 510 Y CA -1.553 56.693 58.100 0.244 0.000 1.060 510 Y CB 0.590 39.199 38.460 0.249 0.000 1.294 510 Y HN 0.330 nan 8.280 nan 0.000 0.472 511 V N -0.570 119.313 119.914 -0.052 0.000 2.864 511 V HA 0.840 4.990 4.120 0.051 0.000 0.314 511 V C -0.353 175.681 176.094 -0.100 0.000 1.073 511 V CA -0.647 61.454 62.300 -0.331 0.000 0.956 511 V CB 1.337 32.663 31.823 -0.828 0.000 1.023 511 V HN 1.166 nan 8.190 nan 0.000 0.435 512 S N 3.603 119.237 115.700 -0.109 0.000 2.499 512 S HA 0.709 5.210 4.470 0.051 0.000 0.279 512 S C -0.471 174.098 174.600 -0.052 0.000 1.219 512 S CA -0.671 57.532 58.200 0.003 0.000 1.062 512 S CB 0.681 63.880 63.200 -0.002 0.000 0.978 512 S HN 0.766 nan 8.310 nan 0.000 0.489 513 L N 4.253 125.492 121.223 0.027 0.000 2.264 513 L HA 0.488 4.858 4.340 0.051 0.000 0.287 513 L C -0.138 176.653 176.870 -0.131 0.000 1.039 513 L CA -0.403 54.474 54.840 0.061 0.000 0.829 513 L CB -0.143 42.034 42.059 0.196 0.000 1.211 513 L HN 0.916 nan 8.230 nan 0.000 0.427 514 N N 2.290 120.857 118.700 -0.223 0.000 3.522 514 N HA 0.350 5.120 4.740 0.051 0.000 0.328 514 N C 0.165 175.141 175.510 -0.890 0.000 1.623 514 N CA -0.940 51.712 53.050 -0.664 0.000 0.812 514 N CB 0.631 38.899 38.487 -0.364 0.000 2.008 514 N HN 0.176 nan 8.380 nan 0.000 0.601 515 L N -0.883 119.863 121.223 -0.795 0.000 2.395 515 L HA 0.173 4.544 4.340 0.051 0.000 0.218 515 L C 0.444 177.149 176.870 -0.274 0.000 1.130 515 L CA 0.752 55.216 54.840 -0.627 0.000 0.826 515 L CB -0.433 41.337 42.059 -0.481 0.000 0.941 515 L HN 0.359 nan 8.230 nan 0.000 0.451 516 K N 0.237 120.516 120.400 -0.201 0.000 2.107 516 K HA 0.296 4.647 4.320 0.051 0.000 0.251 516 K C -2.185 174.386 176.600 -0.049 0.000 1.012 516 K CA -1.932 54.295 56.287 -0.099 0.000 0.920 516 K CB 0.068 32.519 32.500 -0.082 0.000 1.033 516 K HN -0.232 nan 8.250 nan 0.000 0.478 517 P HA -0.058 nan 4.420 nan 0.000 0.268 517 P C -0.340 176.966 177.300 0.011 0.000 1.208 517 P CA -0.019 63.096 63.100 0.025 0.000 0.777 517 P CB 0.362 32.076 31.700 0.023 0.000 0.875 518 L N 1.466 122.709 121.223 0.034 0.000 2.593 518 L HA -0.083 4.287 4.340 0.051 0.000 0.287 518 L C 1.091 177.925 176.870 -0.060 0.000 1.243 518 L CA 0.998 55.812 54.840 -0.042 0.000 0.890 518 L CB -0.217 41.806 42.059 -0.060 0.000 1.134 518 L HN 0.513 nan 8.230 nan 0.000 0.502 519 E N 2.758 122.896 120.200 -0.103 0.000 2.210 519 E HA 0.401 4.781 4.350 0.051 0.000 0.266 519 E C -1.376 175.130 176.600 -0.156 0.000 0.883 519 E CA -0.784 55.557 56.400 -0.098 0.000 0.761 519 E CB 2.011 31.662 29.700 -0.081 0.000 1.156 519 E HN 0.300 nan 8.360 nan 0.000 0.412 520 V N 4.878 124.711 119.914 -0.134 0.000 2.498 520 V HA 0.412 4.562 4.120 0.051 0.000 0.279 520 V C 0.270 176.223 176.094 -0.234 0.000 1.048 520 V CA -0.216 61.980 62.300 -0.173 0.000 0.967 520 V CB 0.941 32.716 31.823 -0.079 0.000 0.988 520 V HN 0.674 nan 8.190 nan 0.000 0.473 521 R N 3.770 124.001 120.500 -0.448 0.000 2.854 521 R HA 0.723 5.093 4.340 0.051 0.000 0.271 521 R C -0.821 175.219 176.300 -0.433 0.000 0.996 521 R CA -1.001 54.804 56.100 -0.492 0.000 0.961 521 R CB 2.524 32.390 30.300 -0.723 0.000 1.182 521 R HN 0.603 nan 8.270 nan 0.000 0.479 522 R N 0.188 120.616 120.500 -0.119 0.000 2.494 522 R HA 0.499 4.869 4.340 0.051 0.000 0.305 522 R C -0.692 175.761 176.300 0.255 0.000 0.959 522 R CA -0.496 55.643 56.100 0.065 0.000 0.864 522 R CB 2.129 32.447 30.300 0.028 0.000 1.159 522 R HN 0.894 nan 8.270 nan 0.000 0.446 523 G N 2.515 111.544 108.800 0.382 0.000 3.292 523 G HA2 -0.202 3.789 3.960 0.051 0.000 0.636 523 G HA3 -0.202 3.789 3.960 0.051 0.000 0.636 523 G C -1.122 174.008 174.900 0.383 0.000 1.069 523 G CA -0.905 44.391 45.100 0.327 0.000 0.890 523 G HN 0.412 nan 8.290 nan 0.000 0.427 524 L N 4.172 125.518 121.223 0.204 0.000 2.334 524 L HA 0.568 4.938 4.340 0.051 0.000 0.286 524 L C 1.547 178.439 176.870 0.036 0.000 1.108 524 L CA -0.440 54.330 54.840 -0.117 0.000 0.875 524 L CB -0.150 41.710 42.059 -0.330 0.000 1.246 524 L HN 0.664 nan 8.230 nan 0.000 0.439 525 R N 3.073 123.631 120.500 0.097 0.000 3.322 525 R HA -0.284 4.086 4.340 0.051 0.000 0.253 525 R C 1.283 177.686 176.300 0.171 0.000 0.987 525 R CA 0.687 56.878 56.100 0.151 0.000 0.666 525 R CB -2.170 28.233 30.300 0.171 0.000 1.072 525 R HN 0.800 nan 8.270 nan 0.000 0.447 526 A N 0.649 123.566 122.820 0.162 0.000 1.892 526 A HA -0.259 4.091 4.320 0.051 0.000 0.218 526 A C 2.095 179.773 177.584 0.158 0.000 1.188 526 A CA 1.350 53.481 52.037 0.156 0.000 0.631 526 A CB -0.105 18.980 19.000 0.142 0.000 0.822 526 A HN 0.397 nan 8.150 nan 0.000 0.447 527 Q N -0.723 119.168 119.800 0.152 0.000 2.046 527 Q HA -0.097 4.273 4.340 0.051 0.000 0.200 527 Q C 2.279 178.402 176.000 0.204 0.000 0.975 527 Q CA 2.086 57.980 55.803 0.152 0.000 0.836 527 Q CB -1.253 27.558 28.738 0.122 0.000 0.896 527 Q HN 0.657 nan 8.270 nan 0.000 0.428 528 T N 0.572 115.274 114.554 0.247 0.000 2.821 528 T HA -0.117 4.263 4.350 0.051 0.000 0.267 528 T C 2.024 176.953 174.700 0.381 0.000 1.046 528 T CA 1.199 63.486 62.100 0.311 0.000 1.139 528 T CB -0.282 68.816 68.868 0.382 0.000 0.871 528 T HN 0.308 nan 8.240 nan 0.000 0.454 529 c N 1.533 120.345 118.600 0.352 0.000 2.446 529 c HA 0.262 4.863 4.570 0.051 0.000 0.279 529 c C 3.129 177.388 174.090 0.281 0.000 1.366 529 c CA -0.032 56.517 56.329 0.367 0.000 1.763 529 c CB -1.381 41.278 42.510 0.248 0.000 1.929 529 c HN 0.639 nan 8.230 nan 0.000 0.509 530 A N 0.210 123.160 122.820 0.217 0.000 1.933 530 A HA -0.180 4.171 4.320 0.051 0.000 0.218 530 A C 1.853 179.537 177.584 0.165 0.000 1.175 530 A CA 1.549 53.686 52.037 0.168 0.000 0.628 530 A CB -0.742 18.342 19.000 0.140 0.000 0.814 530 A HN 0.567 nan 8.150 nan 0.000 0.444 531 F N -0.784 119.154 119.950 -0.019 0.000 2.075 531 F HA -0.164 4.395 4.527 0.054 0.000 0.297 531 F C 1.977 177.723 175.800 -0.090 0.000 1.113 531 F CA 1.754 59.661 58.000 -0.155 0.000 1.218 531 F CB -0.590 38.058 39.000 -0.586 0.000 0.984 531 F HN 0.370 nan 8.300 nan 0.000 0.472 532 W N 0.771 122.025 121.300 -0.077 0.000 2.355 532 W HA -0.176 4.513 4.660 0.049 0.000 0.309 532 W C 2.241 178.698 176.519 -0.103 0.000 1.206 532 W CA 1.144 58.409 57.345 -0.133 0.000 1.284 532 W CB -0.604 28.918 29.460 0.103 0.000 1.145 532 W HN -0.002 nan 8.180 nan 0.000 0.502 533 N N -0.439 118.383 118.700 0.203 0.000 2.333 533 N HA 0.008 4.778 4.740 0.051 0.000 0.178 533 N C 1.503 177.048 175.510 0.057 0.000 1.018 533 N CA 1.035 54.156 53.050 0.118 0.000 0.882 533 N CB -0.280 38.278 38.487 0.119 0.000 0.984 533 N HN 0.250 nan 8.380 nan 0.000 0.434 534 R N -1.432 119.102 120.500 0.057 0.000 2.194 534 R HA 0.232 4.602 4.340 0.051 0.000 0.194 534 R C 1.368 177.692 176.300 0.039 0.000 0.985 534 R CA 0.034 56.166 56.100 0.054 0.000 1.104 534 R CB -0.151 30.203 30.300 0.090 0.000 1.092 534 R HN 0.056 nan 8.270 nan 0.000 0.555 535 F N 1.592 121.454 119.950 -0.146 0.000 2.188 535 F HA 0.124 4.682 4.527 0.052 0.000 0.289 535 F C 1.893 177.529 175.800 -0.273 0.000 1.082 535 F CA 0.863 58.752 58.000 -0.184 0.000 1.282 535 F CB -0.140 38.768 39.000 -0.153 0.000 1.060 535 F HN -0.164 nan 8.300 nan 0.000 0.493 536 L N 0.776 121.677 121.223 -0.536 0.000 2.021 536 L HA -0.211 4.159 4.340 0.051 0.000 0.215 536 L C -0.344 176.300 176.870 -0.376 0.000 1.074 536 L CA 2.162 56.662 54.840 -0.567 0.000 0.760 536 L CB -2.212 39.536 42.059 -0.520 0.000 0.889 536 L HN 0.128 nan 8.230 nan 0.000 0.433 537 P HA -0.204 nan 4.420 nan 0.000 0.216 537 P C 1.377 178.554 177.300 -0.205 0.000 1.153 537 P CA 1.526 64.530 63.100 -0.160 0.000 0.858 537 P CB -0.043 31.600 31.700 -0.095 0.000 0.789 538 K N -1.271 118.960 120.400 -0.282 0.000 2.155 538 K HA -0.076 4.275 4.320 0.051 0.000 0.203 538 K C 1.990 178.374 176.600 -0.360 0.000 1.052 538 K CA 0.869 56.988 56.287 -0.280 0.000 0.948 538 K CB -0.772 31.580 32.500 -0.247 0.000 0.728 538 K HN 0.122 nan 8.250 nan 0.000 0.448 539 L N 1.407 122.287 121.223 -0.570 0.000 2.044 539 L HA -0.076 4.295 4.340 0.051 0.000 0.205 539 L C 2.003 178.722 176.870 -0.252 0.000 1.075 539 L CA 1.321 55.870 54.840 -0.484 0.000 0.747 539 L CB -0.335 41.333 42.059 -0.652 0.000 0.903 539 L HN 0.046 nan 8.230 nan 0.000 0.435 540 L N -0.632 120.459 121.223 -0.221 0.000 2.017 540 L HA -0.229 4.141 4.340 0.051 0.000 0.208 540 L C 2.800 179.608 176.870 -0.103 0.000 1.073 540 L CA 1.690 56.452 54.840 -0.130 0.000 0.745 540 L CB -0.836 41.160 42.059 -0.104 0.000 0.894 540 L HN 0.545 nan 8.230 nan 0.000 0.432 541 S N -0.017 115.617 115.700 -0.111 0.000 2.356 541 S HA -0.205 4.295 4.470 0.051 0.000 0.223 541 S C 2.132 176.688 174.600 -0.073 0.000 1.032 541 S CA 1.004 59.155 58.200 -0.082 0.000 1.005 541 S CB -0.503 62.650 63.200 -0.079 0.000 0.867 541 S HN 0.355 nan 8.310 nan 0.000 0.449 542 A N 2.204 124.970 122.820 -0.090 0.000 1.845 542 A HA 0.160 4.510 4.320 0.051 0.000 0.215 542 A C 1.733 179.285 177.584 -0.054 0.000 1.195 542 A CA 1.957 53.953 52.037 -0.069 0.000 0.616 542 A CB -2.072 16.882 19.000 -0.077 0.000 0.832 542 A HN 1.416 nan 8.150 nan 0.000 0.443 543 T N 0.000 114.517 114.554 -0.062 0.000 3.816 543 T HA 0.000 4.380 4.350 0.051 0.000 0.228 543 T CA 0.000 62.075 62.100 -0.041 0.000 1.349 543 T CB 0.000 68.844 68.868 -0.040 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658