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 2ha2_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.625 176.600 0.041 0.000 1.382 4 E CA 0.000 56.419 56.400 0.031 0.000 0.976 4 E CB 0.000 29.718 29.700 0.030 0.000 0.812 5 D N 5.961 126.394 120.400 0.055 0.000 2.336 5 D HA 0.195 4.856 4.640 0.033 0.000 0.249 5 D C -1.430 174.916 176.300 0.078 0.000 1.213 5 D CA -2.196 51.851 54.000 0.079 0.000 0.870 5 D CB 1.471 42.342 40.800 0.118 0.000 1.076 5 D HN 0.247 nan 8.370 nan 0.000 0.483 6 P HA -0.135 nan 4.420 nan 0.000 0.225 6 P C 1.011 178.336 177.300 0.041 0.000 1.148 6 P CA 0.691 63.814 63.100 0.039 0.000 0.779 6 P CB 0.510 32.218 31.700 0.014 0.000 0.780 7 Q N -0.358 119.463 119.800 0.035 0.000 2.224 7 Q HA 0.027 4.387 4.340 0.033 0.000 0.203 7 Q C 2.033 178.146 176.000 0.188 0.000 0.970 7 Q CA 0.932 56.751 55.803 0.026 0.000 0.865 7 Q CB -0.338 28.295 28.738 -0.175 0.000 0.922 7 Q HN 0.422 nan 8.270 nan 0.000 0.445 8 L N 0.118 121.457 121.223 0.193 0.000 2.592 8 L HA 0.129 4.489 4.340 0.033 0.000 0.227 8 L C 0.238 177.292 176.870 0.306 0.000 1.127 8 L CA -0.261 54.710 54.840 0.220 0.000 0.884 8 L CB 0.244 42.349 42.059 0.077 0.000 1.065 8 L HN 0.027 nan 8.230 nan 0.000 0.457 9 L N 1.078 122.430 121.223 0.216 0.000 2.276 9 L HA 0.511 4.871 4.340 0.033 0.000 0.286 9 L C -0.548 176.368 176.870 0.076 0.000 1.024 9 L CA -0.301 54.635 54.840 0.159 0.000 0.826 9 L CB 1.407 43.520 42.059 0.089 0.000 1.211 9 L HN -0.292 nan 8.230 nan 0.000 0.422 10 V N 4.903 124.834 119.914 0.029 0.000 2.735 10 V HA 0.573 4.713 4.120 0.033 0.000 0.310 10 V C -0.261 175.762 176.094 -0.119 0.000 1.061 10 V CA -0.887 61.290 62.300 -0.204 0.000 0.913 10 V CB 2.012 33.439 31.823 -0.660 0.000 1.005 10 V HN 0.701 nan 8.190 nan 0.000 0.428 11 R N 2.887 123.293 120.500 -0.156 0.000 2.229 11 R HA 0.712 5.073 4.340 0.033 0.000 0.332 11 R C -0.627 175.588 176.300 -0.141 0.000 0.989 11 R CA -0.333 55.709 56.100 -0.097 0.000 0.842 11 R CB 1.404 31.650 30.300 -0.089 0.000 1.119 11 R HN 0.748 nan 8.270 nan 0.000 0.456 12 V N 1.687 121.569 119.914 -0.054 0.000 3.193 12 V HA 0.466 4.606 4.120 0.033 0.000 0.320 12 V C 1.210 177.227 176.094 -0.129 0.000 1.112 12 V CA -0.839 61.424 62.300 -0.061 0.000 1.026 12 V CB 1.765 33.689 31.823 0.168 0.000 1.128 12 V HN 0.840 nan 8.190 nan 0.000 0.452 13 R N 1.032 121.438 120.500 -0.157 0.000 2.127 13 R HA -0.062 4.298 4.340 0.033 0.000 0.238 13 R C 2.015 178.160 176.300 -0.259 0.000 1.134 13 R CA 1.777 57.773 56.100 -0.174 0.000 0.975 13 R CB -0.678 29.536 30.300 -0.142 0.000 0.865 13 R HN 0.988 nan 8.270 nan 0.000 0.447 14 G N -0.680 107.898 108.800 -0.370 0.000 2.813 14 G HA2 0.293 4.273 3.960 0.033 0.000 0.209 14 G HA3 0.293 4.273 3.960 0.033 0.000 0.209 14 G C 0.417 174.377 174.900 -1.568 0.000 1.150 14 G CA 0.521 45.120 45.100 -0.836 0.000 0.785 14 G HN 0.578 nan 8.290 nan 0.000 0.535 15 G N -1.129 107.049 108.800 -1.036 0.000 2.320 15 G HA2 0.137 4.117 3.960 0.033 0.000 0.274 15 G HA3 0.137 4.117 3.960 0.033 0.000 0.274 15 G C -1.296 173.555 174.900 -0.081 0.000 1.324 15 G CA -0.909 43.734 45.100 -0.763 0.000 0.957 15 G HN 0.260 nan 8.290 nan 0.000 0.481 16 Q N -0.419 119.508 119.800 0.211 0.000 2.230 16 Q HA 0.722 5.082 4.340 0.033 0.000 0.253 16 Q C -0.551 175.732 176.000 0.471 0.000 0.919 16 Q CA -0.383 55.593 55.803 0.288 0.000 0.908 16 Q CB 1.839 30.682 28.738 0.174 0.000 1.245 16 Q HN 0.453 nan 8.270 nan 0.000 0.437 17 L N 1.399 122.819 121.223 0.328 0.000 2.354 17 L HA 0.634 4.995 4.340 0.033 0.000 0.264 17 L C -0.505 176.532 176.870 0.279 0.000 1.008 17 L CA -0.819 54.211 54.840 0.318 0.000 0.819 17 L CB 2.186 44.472 42.059 0.380 0.000 1.339 17 L HN 0.428 nan 8.230 nan 0.000 0.420 18 R N 0.552 121.192 120.500 0.234 0.000 2.439 18 R HA 0.651 5.011 4.340 0.033 0.000 0.310 18 R C -0.381 175.994 176.300 0.125 0.000 0.955 18 R CA -0.341 55.871 56.100 0.186 0.000 0.853 18 R CB 1.789 32.142 30.300 0.090 0.000 1.171 18 R HN 0.835 nan 8.270 nan 0.000 0.449 19 G N 3.241 112.052 108.800 0.018 0.000 2.568 19 G HA2 0.485 4.465 3.960 0.033 0.000 0.293 19 G HA3 0.485 4.465 3.960 0.033 0.000 0.293 19 G C -1.000 173.689 174.900 -0.351 0.000 1.347 19 G CA -0.705 44.111 45.100 -0.474 0.000 1.039 19 G HN 0.584 nan 8.290 nan 0.000 0.523 20 I N -0.768 119.545 120.570 -0.428 0.000 2.582 20 I HA 0.527 4.717 4.170 0.033 0.000 0.292 20 I C -0.256 175.714 176.117 -0.245 0.000 1.066 20 I CA -1.129 60.012 61.300 -0.265 0.000 1.053 20 I CB 2.071 39.932 38.000 -0.231 0.000 1.241 20 I HN 0.457 nan 8.210 nan 0.000 0.421 21 R N 7.656 128.052 120.500 -0.174 0.000 2.216 21 R HA 0.531 4.891 4.340 0.033 0.000 0.332 21 R C -1.585 174.612 176.300 -0.172 0.000 1.056 21 R CA -0.314 55.676 56.100 -0.183 0.000 0.901 21 R CB 0.568 30.720 30.300 -0.246 0.000 1.039 21 R HN 0.645 nan 8.270 nan 0.000 0.456 22 L N 3.326 124.466 121.223 -0.138 0.000 2.334 22 L HA 0.451 4.812 4.340 0.033 0.000 0.272 22 L C -0.269 176.532 176.870 -0.116 0.000 1.020 22 L CA -1.182 53.593 54.840 -0.108 0.000 0.812 22 L CB 1.668 43.695 42.059 -0.053 0.000 1.264 22 L HN 0.437 nan 8.230 nan 0.000 0.439 23 K N 1.866 122.201 120.400 -0.108 0.000 2.262 23 K HA 0.590 4.930 4.320 0.033 0.000 0.282 23 K C -0.689 175.841 176.600 -0.117 0.000 1.066 23 K CA -0.092 56.134 56.287 -0.102 0.000 0.901 23 K CB 1.215 33.668 32.500 -0.079 0.000 1.089 23 K HN 0.608 nan 8.250 nan 0.000 0.476 24 A N 5.733 128.485 122.820 -0.113 0.000 2.294 24 A HA 0.524 4.864 4.320 0.033 0.000 0.330 24 A C -1.848 175.717 177.584 -0.032 0.000 1.133 24 A CA -1.728 50.227 52.037 -0.136 0.000 0.836 24 A CB 0.522 19.432 19.000 -0.149 0.000 1.190 24 A HN 0.687 nan 8.150 nan 0.000 0.492 25 P HA -0.133 nan 4.420 nan 0.000 0.216 25 P C 1.207 178.530 177.300 0.038 0.000 1.154 25 P CA 2.180 65.319 63.100 0.064 0.000 0.865 25 P CB 0.225 31.999 31.700 0.125 0.000 0.789 26 G N -2.462 106.361 108.800 0.039 0.000 3.233 26 G HA2 0.483 4.463 3.960 0.033 0.000 0.234 26 G HA3 0.483 4.463 3.960 0.033 0.000 0.234 26 G C 0.408 175.322 174.900 0.023 0.000 1.137 26 G CA 0.400 45.518 45.100 0.031 0.000 0.763 26 G HN 0.590 nan 8.290 nan 0.000 0.549 27 G N -0.385 108.421 108.800 0.009 0.000 2.336 27 G HA2 0.410 4.390 3.960 0.033 0.000 0.300 27 G HA3 0.410 4.390 3.960 0.033 0.000 0.300 27 G C -3.451 171.436 174.900 -0.021 0.000 1.375 27 G CA -0.763 44.339 45.100 0.005 0.000 0.885 27 G HN 0.022 nan 8.290 nan 0.000 0.599 28 P HA 0.557 nan 4.420 nan 0.000 0.276 28 P C -0.127 177.176 177.300 0.006 0.000 1.244 28 P CA -0.348 62.686 63.100 -0.110 0.000 0.801 28 P CB 1.756 33.252 31.700 -0.340 0.000 1.006 29 V N -1.899 118.020 119.914 0.008 0.000 2.962 29 V HA 0.636 4.776 4.120 0.033 0.000 0.313 29 V C -0.453 175.725 176.094 0.140 0.000 1.099 29 V CA -0.883 61.501 62.300 0.140 0.000 0.971 29 V CB 1.788 33.698 31.823 0.146 0.000 1.028 29 V HN 0.440 nan 8.190 nan 0.000 0.430 30 S N 2.163 118.007 115.700 0.241 0.000 2.480 30 S HA 0.851 5.341 4.470 0.033 0.000 0.286 30 S C 0.068 174.664 174.600 -0.008 0.000 1.180 30 S CA 0.019 58.293 58.200 0.123 0.000 1.075 30 S CB 1.215 64.594 63.200 0.298 0.000 0.996 30 S HN 1.590 nan 8.310 nan 0.000 0.487 31 A N 2.813 125.421 122.820 -0.353 0.000 2.343 31 A HA 0.807 5.147 4.320 0.033 0.000 0.316 31 A C -1.179 175.937 177.584 -0.780 0.000 1.104 31 A CA -0.659 51.075 52.037 -0.504 0.000 0.768 31 A CB 0.456 19.148 19.000 -0.513 0.000 1.213 31 A HN 0.680 nan 8.150 nan 0.000 0.456 32 F N 2.759 122.549 119.950 -0.266 0.000 2.430 32 F HA 0.491 5.038 4.527 0.033 0.000 0.362 32 F C -0.234 175.395 175.800 -0.285 0.000 1.103 32 F CA -0.334 57.580 58.000 -0.143 0.000 1.045 32 F CB 1.299 40.367 39.000 0.114 0.000 1.276 32 F HN 0.335 nan 8.300 nan 0.000 0.444 33 L N 2.148 123.237 121.223 -0.223 0.000 2.334 33 L HA 0.731 5.091 4.340 0.033 0.000 0.276 33 L C 0.853 177.640 176.870 -0.138 0.000 1.014 33 L CA -1.047 53.613 54.840 -0.301 0.000 0.815 33 L CB 1.813 43.504 42.059 -0.612 0.000 1.268 33 L HN 0.820 nan 8.230 nan 0.000 0.428 34 G N 2.994 111.773 108.800 -0.034 0.000 2.225 34 G HA2 -0.246 3.734 3.960 0.033 0.000 0.264 34 G HA3 -0.246 3.734 3.960 0.033 0.000 0.264 34 G C -0.127 174.804 174.900 0.053 0.000 1.060 34 G CA -0.365 44.714 45.100 -0.035 0.000 0.833 34 G HN 0.482 nan 8.290 nan 0.000 0.498 35 I N 2.224 122.841 120.570 0.079 0.000 2.396 35 I HA 0.226 4.416 4.170 0.033 0.000 0.289 35 I C -1.442 174.732 176.117 0.097 0.000 1.056 35 I CA -2.057 59.274 61.300 0.052 0.000 1.365 35 I CB 1.032 39.018 38.000 -0.023 0.000 1.407 35 I HN -0.018 nan 8.210 nan 0.000 0.509 36 P HA 0.057 nan 4.420 nan 0.000 0.281 36 P C -0.235 177.013 177.300 -0.086 0.000 1.252 36 P CA -0.041 62.936 63.100 -0.205 0.000 0.778 36 P CB 0.593 32.169 31.700 -0.206 0.000 0.895 37 F N 1.150 120.963 119.950 -0.229 0.000 2.728 37 F HA 0.716 5.263 4.527 0.033 0.000 0.314 37 F C 0.054 175.858 175.800 0.007 0.000 1.094 37 F CA -0.735 57.209 58.000 -0.094 0.000 1.217 37 F CB 0.168 39.014 39.000 -0.255 0.000 1.056 37 F HN 0.324 nan 8.300 nan 0.000 0.577 38 A N 0.157 122.706 122.820 -0.453 0.000 2.556 38 A HA 0.596 4.936 4.320 0.033 0.000 0.294 38 A C -0.815 176.613 177.584 -0.261 0.000 1.091 38 A CA -0.788 51.075 52.037 -0.289 0.000 0.704 38 A CB 0.991 19.736 19.000 -0.423 0.000 1.300 38 A HN 0.068 nan 8.150 nan 0.000 0.406 39 E N 1.134 121.258 120.200 -0.127 0.000 2.384 39 E HA 0.234 4.604 4.350 0.033 0.000 0.266 39 E C -2.319 174.186 176.600 -0.159 0.000 1.012 39 E CA -1.292 55.046 56.400 -0.103 0.000 0.901 39 E CB 0.005 29.682 29.700 -0.039 0.000 0.967 39 E HN 0.241 nan 8.360 nan 0.000 0.435 40 P HA 0.014 nan 4.420 nan 0.000 0.263 40 P C -2.255 174.977 177.300 -0.112 0.000 1.195 40 P CA -0.785 62.227 63.100 -0.148 0.000 0.762 40 P CB 0.007 31.656 31.700 -0.086 0.000 0.799 41 P HA 0.033 nan 4.420 nan 0.000 0.220 41 P C -0.495 176.742 177.300 -0.104 0.000 1.806 41 P CA 0.033 63.074 63.100 -0.098 0.000 0.976 41 P CB -0.044 31.601 31.700 -0.092 0.000 1.952 42 V N -2.288 117.571 119.914 -0.092 0.000 3.019 42 V HA 0.902 5.043 4.120 0.033 0.000 0.317 42 V C 0.981 177.027 176.094 -0.081 0.000 1.094 42 V CA 0.055 62.298 62.300 -0.095 0.000 1.000 42 V CB 0.939 32.715 31.823 -0.078 0.000 1.060 42 V HN 0.557 nan 8.190 nan 0.000 0.443 43 G N 2.606 111.357 108.800 -0.082 0.000 2.634 43 G HA2 -0.368 3.612 3.960 0.033 0.000 0.318 43 G HA3 -0.368 3.612 3.960 0.033 0.000 0.318 43 G C 1.338 176.199 174.900 -0.066 0.000 1.207 43 G CA 1.862 46.925 45.100 -0.062 0.000 0.987 43 G HN 2.370 nan 8.290 nan 0.000 0.547 44 S N 0.620 116.296 115.700 -0.039 0.000 2.481 44 S HA 0.044 4.534 4.470 0.033 0.000 0.231 44 S C 2.010 176.594 174.600 -0.027 0.000 0.996 44 S CA 1.541 59.729 58.200 -0.021 0.000 0.942 44 S CB -0.114 63.084 63.200 -0.004 0.000 0.768 44 S HN 0.721 nan 8.310 nan 0.000 0.520 45 R N 0.733 121.204 120.500 -0.048 0.000 2.297 45 R HA 0.235 4.595 4.340 0.033 0.000 0.197 45 R C 0.990 177.239 176.300 -0.086 0.000 0.943 45 R CA -0.164 55.909 56.100 -0.046 0.000 1.038 45 R CB -0.082 30.192 30.300 -0.045 0.000 0.957 45 R HN 0.383 nan 8.270 nan 0.000 0.484 46 R N 0.932 121.328 120.500 -0.172 0.000 2.570 46 R HA -0.117 4.243 4.340 0.033 0.000 0.277 46 R C -0.331 175.744 176.300 -0.375 0.000 1.039 46 R CA 0.508 56.380 56.100 -0.380 0.000 1.065 46 R CB 0.161 30.084 30.300 -0.629 0.000 0.964 46 R HN 0.111 nan 8.270 nan 0.000 0.428 47 F N -0.838 119.117 119.950 0.007 0.000 2.825 47 F HA -0.329 4.218 4.527 0.033 0.000 0.358 47 F C 0.132 175.916 175.800 -0.028 0.000 0.639 47 F CA 0.762 58.743 58.000 -0.033 0.000 1.153 47 F CB -1.763 37.205 39.000 -0.053 0.000 1.610 47 F HN 0.468 nan 8.300 nan 0.000 0.305 48 M N 1.018 120.676 119.600 0.098 0.000 2.409 48 M HA 0.428 4.928 4.480 0.033 0.000 0.329 48 M C -2.008 174.317 176.300 0.042 0.000 1.180 48 M CA -1.556 53.785 55.300 0.068 0.000 1.053 48 M CB 0.746 33.373 32.600 0.045 0.000 1.586 48 M HN -0.375 nan 8.290 nan 0.000 0.461 49 P HA 0.052 nan 4.420 nan 0.000 0.266 49 P C -2.425 174.902 177.300 0.045 0.000 1.193 49 P CA -0.471 62.659 63.100 0.050 0.000 0.770 49 P CB -0.532 31.207 31.700 0.064 0.000 0.836 50 P HA 0.128 nan 4.420 nan 0.000 0.271 50 P C -0.613 176.721 177.300 0.057 0.000 1.216 50 P CA 0.156 63.283 63.100 0.046 0.000 0.776 50 P CB 0.824 32.577 31.700 0.089 0.000 0.881 51 E N 3.258 123.477 120.200 0.033 0.000 2.214 51 E HA 0.397 4.768 4.350 0.033 0.000 0.274 51 E C -2.264 174.374 176.600 0.063 0.000 0.977 51 E CA -2.361 54.068 56.400 0.048 0.000 0.827 51 E CB 0.281 30.000 29.700 0.031 0.000 1.130 51 E HN 0.363 nan 8.360 nan 0.000 0.394 52 P HA -0.028 nan 4.420 nan 0.000 0.268 52 P C -0.701 176.666 177.300 0.113 0.000 1.205 52 P CA -0.291 62.888 63.100 0.132 0.000 0.771 52 P CB 0.425 32.206 31.700 0.135 0.000 0.858 53 K N 3.791 124.281 120.400 0.150 0.000 2.447 53 K HA 0.031 4.371 4.320 0.033 0.000 0.281 53 K C 0.080 176.797 176.600 0.194 0.000 1.031 53 K CA 0.363 56.745 56.287 0.159 0.000 1.019 53 K CB -0.001 32.638 32.500 0.230 0.000 0.918 53 K HN 0.272 nan 8.250 nan 0.000 0.476 54 R N 5.224 125.819 120.500 0.159 0.000 2.623 54 R HA 0.106 4.466 4.340 0.033 0.000 0.271 54 R C -1.959 174.465 176.300 0.206 0.000 1.043 54 R CA -1.438 54.747 56.100 0.141 0.000 1.083 54 R CB -0.071 30.295 30.300 0.110 0.000 0.974 54 R HN 0.571 nan 8.270 nan 0.000 0.436 55 P HA -0.004 nan 4.420 nan 0.000 0.270 55 P C -1.235 176.102 177.300 0.061 0.000 1.223 55 P CA -0.136 62.907 63.100 -0.095 0.000 0.785 55 P CB 0.365 31.953 31.700 -0.187 0.000 0.923 56 W N -0.018 121.316 121.300 0.057 0.000 2.962 56 W HA 0.680 5.360 4.660 0.034 0.000 0.341 56 W C -0.702 175.844 176.519 0.044 0.000 1.155 56 W CA -1.044 56.332 57.345 0.052 0.000 1.165 56 W CB 0.030 29.530 29.460 0.066 0.000 1.435 56 W HN 0.387 nan 8.180 nan 0.000 0.546 57 S N 1.656 117.528 115.700 0.287 0.000 2.632 57 S HA 0.756 5.246 4.470 0.033 0.000 0.271 57 S C 0.716 175.466 174.600 0.251 0.000 1.260 57 S CA 0.195 58.499 58.200 0.173 0.000 1.010 57 S CB 0.743 64.016 63.200 0.122 0.000 0.965 57 S HN 2.195 nan 8.310 nan 0.000 0.534 58 G N 0.308 109.202 108.800 0.157 0.000 2.575 58 G HA2 -0.194 3.786 3.960 0.033 0.000 0.267 58 G HA3 -0.194 3.786 3.960 0.033 0.000 0.267 58 G C -0.540 174.496 174.900 0.226 0.000 1.264 58 G CA -0.116 45.075 45.100 0.152 0.000 0.935 58 G HN 1.680 nan 8.290 nan 0.000 0.568 59 V N 0.816 120.841 119.914 0.185 0.000 2.334 59 V HA 0.522 4.662 4.120 0.033 0.000 0.281 59 V C 0.394 176.578 176.094 0.151 0.000 1.016 59 V CA -0.471 61.945 62.300 0.194 0.000 0.832 59 V CB 1.188 33.085 31.823 0.124 0.000 0.999 59 V HN 0.810 nan 8.190 nan 0.000 0.439 60 L N 4.417 125.734 121.223 0.156 0.000 2.367 60 L HA 0.393 4.753 4.340 0.033 0.000 0.275 60 L C 0.229 177.087 176.870 -0.021 0.000 1.129 60 L CA 0.230 55.030 54.840 -0.067 0.000 0.839 60 L CB 0.912 42.690 42.059 -0.468 0.000 1.133 60 L HN 0.729 nan 8.230 nan 0.000 0.453 61 D N 4.161 124.530 120.400 -0.052 0.000 2.344 61 D HA 0.380 5.040 4.640 0.033 0.000 0.253 61 D C -0.154 176.107 176.300 -0.066 0.000 1.255 61 D CA 0.336 54.310 54.000 -0.043 0.000 0.894 61 D CB 0.825 41.590 40.800 -0.057 0.000 1.067 61 D HN 0.661 nan 8.370 nan 0.000 0.492 62 A N 3.298 126.102 122.820 -0.026 0.000 3.154 62 A HA 0.262 4.602 4.320 0.033 0.000 0.310 62 A C 0.992 178.501 177.584 -0.125 0.000 1.093 62 A CA -0.347 51.669 52.037 -0.035 0.000 1.006 62 A CB -0.224 18.849 19.000 0.122 0.000 1.084 62 A HN 0.561 nan 8.150 nan 0.000 0.549 63 T N -3.982 110.476 114.554 -0.160 0.000 3.054 63 T HA 0.320 4.690 4.350 0.033 0.000 0.255 63 T C 0.478 175.024 174.700 -0.257 0.000 1.035 63 T CA 0.516 62.488 62.100 -0.212 0.000 0.941 63 T CB 0.216 68.991 68.868 -0.156 0.000 1.026 63 T HN 0.329 nan 8.240 nan 0.000 0.533 64 T N 0.629 115.029 114.554 -0.257 0.000 2.916 64 T HA 0.589 4.959 4.350 0.033 0.000 0.305 64 T C -1.597 172.958 174.700 -0.242 0.000 1.119 64 T CA -0.755 61.194 62.100 -0.253 0.000 1.008 64 T CB 0.771 69.548 68.868 -0.151 0.000 1.129 64 T HN 0.075 nan 8.240 nan 0.000 0.480 65 F N 3.065 122.946 119.950 -0.115 0.000 2.518 65 F HA 0.365 4.913 4.527 0.034 0.000 0.359 65 F C 1.343 177.045 175.800 -0.162 0.000 1.118 65 F CA -0.143 57.790 58.000 -0.112 0.000 1.287 65 F CB 0.665 39.626 39.000 -0.064 0.000 1.132 65 F HN 0.410 nan 8.300 nan 0.000 0.587 66 Q N 1.413 121.229 119.800 0.028 0.000 2.189 66 Q HA 0.238 4.598 4.340 0.033 0.000 0.193 66 Q C -0.248 175.686 176.000 -0.111 0.000 1.034 66 Q CA -0.710 54.962 55.803 -0.218 0.000 1.062 66 Q CB 0.612 28.958 28.738 -0.654 0.000 1.118 66 Q HN 0.646 nan 8.270 nan 0.000 0.569 67 N N -0.875 117.737 118.700 -0.146 0.000 2.416 67 N HA 0.063 4.823 4.740 0.033 0.000 0.246 67 N C -0.606 174.883 175.510 -0.036 0.000 1.260 67 N CA -0.357 52.650 53.050 -0.072 0.000 0.897 67 N CB 0.610 39.065 38.487 -0.053 0.000 1.110 67 N HN 0.141 nan 8.380 nan 0.000 0.439 68 V N 1.817 121.688 119.914 -0.071 0.000 2.583 68 V HA 0.049 4.189 4.120 0.033 0.000 0.287 68 V C 0.481 176.531 176.094 -0.074 0.000 1.051 68 V CA -0.746 61.498 62.300 -0.093 0.000 1.010 68 V CB 0.905 32.639 31.823 -0.149 0.000 0.988 68 V HN 0.814 nan 8.190 nan 0.000 0.478 69 c N 4.372 122.943 118.600 -0.048 0.000 2.634 69 c HA 0.061 4.651 4.570 0.033 0.000 0.417 69 c C 0.509 174.559 174.090 -0.067 0.000 1.334 69 c CA -0.504 55.805 56.329 -0.032 0.000 1.829 69 c CB -0.981 41.539 42.510 0.017 0.000 2.665 69 c HN 0.755 nan 8.230 nan 0.000 0.614 70 Y N 3.931 124.097 120.300 -0.224 0.000 2.632 70 Y HA 0.276 4.846 4.550 0.034 0.000 0.329 70 Y C 0.728 176.628 175.900 0.000 0.000 1.174 70 Y CA 0.984 58.943 58.100 -0.236 0.000 1.469 70 Y CB 0.124 38.230 38.460 -0.590 0.000 1.242 70 Y HN 0.757 nan 8.280 nan 0.000 0.540 71 Q N 4.318 124.046 119.800 -0.120 0.000 2.575 71 Q HA 0.225 4.585 4.340 0.033 0.000 0.290 71 Q C -1.865 174.242 176.000 0.179 0.000 0.963 71 Q CA -1.224 54.688 55.803 0.180 0.000 0.783 71 Q CB 1.295 30.110 28.738 0.129 0.000 1.467 71 Q HN 0.665 nan 8.270 nan 0.000 0.402 72 Y N 1.139 121.615 120.300 0.294 0.000 2.497 72 Y HA 0.397 4.967 4.550 0.033 0.000 0.334 72 Y C -1.083 174.959 175.900 0.237 0.000 1.199 72 Y CA 0.240 58.533 58.100 0.322 0.000 1.425 72 Y CB 0.958 39.747 38.460 0.549 0.000 1.291 72 Y HN 0.442 nan 8.280 nan 0.000 0.562 73 V N 6.551 126.195 119.914 -0.450 0.000 2.448 73 V HA 0.132 4.272 4.120 0.033 0.000 0.295 73 V C -0.632 175.105 176.094 -0.594 0.000 1.025 73 V CA -1.078 61.014 62.300 -0.346 0.000 0.859 73 V CB 1.586 33.277 31.823 -0.220 0.000 0.988 73 V HN 0.791 nan 8.190 nan 0.000 0.431 74 D N 2.807 123.101 120.400 -0.178 0.000 2.390 74 D HA 0.317 4.977 4.640 0.033 0.000 0.249 74 D C 0.854 177.166 176.300 0.020 0.000 1.144 74 D CA 0.462 54.478 54.000 0.028 0.000 0.880 74 D CB 1.132 42.110 40.800 0.297 0.000 1.182 74 D HN 0.784 nan 8.370 nan 0.000 0.451 75 T N 1.056 115.635 114.554 0.042 0.000 3.275 75 T HA 0.050 4.420 4.350 0.033 0.000 0.298 75 T C 1.311 176.026 174.700 0.025 0.000 0.988 75 T CA -0.486 61.633 62.100 0.033 0.000 0.936 75 T CB -0.103 68.761 68.868 -0.007 0.000 1.159 75 T HN 0.261 nan 8.240 nan 0.000 0.519 76 L N 0.699 121.935 121.223 0.021 0.000 2.083 76 L HA 0.217 4.577 4.340 0.033 0.000 0.209 76 L C -0.386 176.219 176.870 -0.442 0.000 1.083 76 L CA 1.582 56.264 54.840 -0.264 0.000 0.752 76 L CB -0.322 41.476 42.059 -0.434 0.000 0.899 76 L HN 0.445 nan 8.230 nan 0.000 0.433 77 Y N -0.696 119.643 120.300 0.065 0.000 2.544 77 Y HA 0.411 4.981 4.550 0.033 0.000 0.347 77 Y C -2.270 173.673 175.900 0.072 0.000 1.089 77 Y CA -3.579 54.531 58.100 0.017 0.000 1.230 77 Y CB -0.181 38.247 38.460 -0.054 0.000 1.101 77 Y HN 0.011 nan 8.280 nan 0.000 0.641 78 P HA 0.112 nan 4.420 nan 0.000 0.262 78 P C 1.091 178.455 177.300 0.106 0.000 1.182 78 P CA 1.799 64.962 63.100 0.105 0.000 0.761 78 P CB 0.782 32.518 31.700 0.059 0.000 0.795 79 G N 2.279 111.125 108.800 0.076 0.000 2.234 79 G HA2 -0.300 3.680 3.960 0.033 0.000 0.260 79 G HA3 -0.300 3.680 3.960 0.033 0.000 0.260 79 G C 0.023 174.957 174.900 0.057 0.000 0.987 79 G CA -0.245 44.882 45.100 0.044 0.000 0.625 79 G HN 0.558 nan 8.290 nan 0.000 0.532 80 F N 2.306 122.211 119.950 -0.074 0.000 2.472 80 F HA 0.613 5.160 4.527 0.033 0.000 0.364 80 F C 1.358 177.054 175.800 -0.174 0.000 1.090 80 F CA -0.551 57.350 58.000 -0.164 0.000 1.188 80 F CB 1.327 40.196 39.000 -0.217 0.000 1.105 80 F HN 0.121 nan 8.300 nan 0.000 0.536 81 E N 4.059 123.841 120.200 -0.698 0.000 2.130 81 E HA -0.123 4.247 4.350 0.033 0.000 0.196 81 E C 2.206 178.308 176.600 -0.831 0.000 0.998 81 E CA 1.928 57.937 56.400 -0.652 0.000 0.806 81 E CB -0.532 28.861 29.700 -0.512 0.000 0.738 81 E HN 0.891 nan 8.360 nan 0.000 0.459 82 G N -0.948 106.825 108.800 -1.713 0.000 2.432 82 G HA2 -0.279 3.701 3.960 0.033 0.000 0.219 82 G HA3 -0.279 3.701 3.960 0.033 0.000 0.219 82 G C 1.684 176.571 174.900 -0.021 0.000 1.135 82 G CA 1.646 46.055 45.100 -1.151 0.000 0.767 82 G HN 0.495 nan 8.290 nan 0.000 0.550 83 T N -1.865 112.668 114.554 -0.036 0.000 3.021 83 T HA 0.117 4.488 4.350 0.033 0.000 0.245 83 T C 1.888 176.746 174.700 0.264 0.000 1.028 83 T CA 0.789 63.178 62.100 0.483 0.000 1.139 83 T CB 0.023 69.234 68.868 0.571 0.000 0.884 83 T HN 0.122 nan 8.240 nan 0.000 0.457 84 E N 1.924 122.131 120.200 0.012 0.000 2.338 84 E HA -0.022 4.348 4.350 0.033 0.000 0.197 84 E C 2.078 178.579 176.600 -0.166 0.000 1.007 84 E CA 0.874 57.244 56.400 -0.050 0.000 0.849 84 E CB -0.423 29.220 29.700 -0.094 0.000 0.774 84 E HN 0.786 nan 8.360 nan 0.000 0.506 85 M N -2.244 117.159 119.600 -0.329 0.000 2.557 85 M HA -0.043 4.457 4.480 0.033 0.000 0.259 85 M C 0.940 176.817 176.300 -0.704 0.000 1.086 85 M CA 1.251 56.197 55.300 -0.590 0.000 1.096 85 M CB -0.210 31.917 32.600 -0.788 0.000 1.424 85 M HN -0.005 nan 8.290 nan 0.000 0.488 86 W N 0.418 121.657 121.300 -0.102 0.000 3.103 86 W HA 0.336 5.016 4.660 0.033 0.000 0.325 86 W C 0.241 176.689 176.519 -0.120 0.000 1.170 86 W CA -0.996 56.274 57.345 -0.124 0.000 1.712 86 W CB -0.013 29.416 29.460 -0.053 0.000 1.068 86 W HN 0.079 nan 8.180 nan 0.000 0.592 87 N N 1.576 120.318 118.700 0.069 0.000 2.467 87 N HA 0.178 4.938 4.740 0.033 0.000 0.262 87 N C -2.446 173.015 175.510 -0.082 0.000 1.234 87 N CA -1.593 51.460 53.050 0.005 0.000 0.952 87 N CB -0.012 38.474 38.487 -0.002 0.000 1.158 87 N HN -0.344 nan 8.380 nan 0.000 0.463 88 P HA 0.075 nan 4.420 nan 0.000 0.265 88 P C 0.216 177.434 177.300 -0.136 0.000 1.193 88 P CA 0.011 63.026 63.100 -0.141 0.000 0.765 88 P CB 0.348 31.959 31.700 -0.148 0.000 0.823 89 N N 2.068 120.675 118.700 -0.156 0.000 2.184 89 N HA 0.062 4.822 4.740 0.033 0.000 0.206 89 N C 0.176 175.622 175.510 -0.108 0.000 1.151 89 N CA 0.138 53.106 53.050 -0.135 0.000 0.878 89 N CB 0.369 38.761 38.487 -0.157 0.000 1.014 89 N HN 0.145 nan 8.380 nan 0.000 0.512 90 R N 0.420 120.851 120.500 -0.114 0.000 2.912 90 R HA 0.350 4.710 4.340 0.033 0.000 0.262 90 R C -0.077 176.169 176.300 -0.090 0.000 1.057 90 R CA -0.651 55.398 56.100 -0.084 0.000 0.981 90 R CB 0.830 31.086 30.300 -0.073 0.000 1.201 90 R HN 0.109 nan 8.270 nan 0.000 0.484 91 E N 1.436 121.592 120.200 -0.074 0.000 2.437 91 E HA 0.034 4.404 4.350 0.033 0.000 0.263 91 E C 0.021 176.570 176.600 -0.084 0.000 1.030 91 E CA 0.143 56.501 56.400 -0.071 0.000 0.934 91 E CB 0.536 30.207 29.700 -0.049 0.000 0.943 91 E HN 0.276 nan 8.360 nan 0.000 0.444 92 L N 1.725 122.885 121.223 -0.105 0.000 2.397 92 L HA 0.207 4.567 4.340 0.033 0.000 0.271 92 L C 0.690 177.559 176.870 -0.001 0.000 1.148 92 L CA 0.146 54.899 54.840 -0.145 0.000 0.825 92 L CB 0.872 42.696 42.059 -0.392 0.000 1.117 92 L HN 0.370 nan 8.230 nan 0.000 0.456 93 S N 0.680 116.398 115.700 0.030 0.000 2.543 93 S HA 0.191 4.681 4.470 0.033 0.000 0.274 93 S C 0.210 174.808 174.600 -0.003 0.000 1.149 93 S CA -0.666 57.572 58.200 0.063 0.000 0.866 93 S CB 1.533 64.743 63.200 0.017 0.000 1.111 93 S HN 0.739 nan 8.310 nan 0.000 0.457 94 E N 0.913 121.057 120.200 -0.093 0.000 2.274 94 E HA -0.068 4.303 4.350 0.033 0.000 0.194 94 E C -0.291 176.248 176.600 -0.101 0.000 0.996 94 E CA 0.458 56.742 56.400 -0.194 0.000 0.840 94 E CB 0.098 29.631 29.700 -0.279 0.000 0.772 94 E HN 0.505 nan 8.360 nan 0.000 0.491 95 D N 0.550 120.926 120.400 -0.040 0.000 2.470 95 D HA -0.007 4.653 4.640 0.033 0.000 0.226 95 D C 0.024 176.406 176.300 0.138 0.000 1.196 95 D CA -0.244 53.768 54.000 0.020 0.000 0.979 95 D CB -0.031 40.796 40.800 0.046 0.000 1.059 95 D HN 0.145 nan 8.370 nan 0.000 0.515 96 c N 2.513 121.163 118.600 0.084 0.000 3.722 96 c HA 0.384 4.974 4.570 0.033 0.000 0.279 96 c C 0.501 174.662 174.090 0.117 0.000 1.819 96 c CA -0.685 55.752 56.329 0.180 0.000 1.744 96 c CB -1.201 41.349 42.510 0.066 0.000 3.247 96 c HN 0.425 nan 8.230 nan 0.000 0.549 97 L N 2.568 123.606 121.223 -0.309 0.000 2.389 97 L HA 0.453 4.813 4.340 0.033 0.000 0.265 97 L C -1.004 175.218 176.870 -1.079 0.000 1.167 97 L CA 0.355 54.796 54.840 -0.666 0.000 1.045 97 L CB -0.515 41.031 42.059 -0.855 0.000 1.351 97 L HN 0.398 nan 8.230 nan 0.000 0.419 98 Y N 1.842 122.079 120.300 -0.105 0.000 2.576 98 Y HA 0.649 5.219 4.550 0.033 0.000 0.346 98 Y C -0.114 175.948 175.900 0.269 0.000 1.018 98 Y CA -1.245 56.880 58.100 0.042 0.000 1.050 98 Y CB 2.021 40.473 38.460 -0.013 0.000 1.280 98 Y HN 0.199 nan 8.280 nan 0.000 0.474 99 L N -0.224 121.171 121.223 0.286 0.000 2.309 99 L HA 0.787 5.147 4.340 0.033 0.000 0.261 99 L C -1.314 175.559 176.870 0.006 0.000 1.021 99 L CA -1.117 53.784 54.840 0.102 0.000 0.823 99 L CB 1.782 43.744 42.059 -0.161 0.000 1.366 99 L HN 0.466 nan 8.230 nan 0.000 0.423 100 N N 0.258 118.963 118.700 0.008 0.000 2.238 100 N HA 0.717 5.477 4.740 0.033 0.000 0.302 100 N C -1.505 173.893 175.510 -0.186 0.000 1.072 100 N CA -0.426 52.542 53.050 -0.137 0.000 0.792 100 N CB 2.866 41.290 38.487 -0.105 0.000 1.425 100 N HN 0.509 nan 8.380 nan 0.000 0.478 101 V N 1.611 121.344 119.914 -0.302 0.000 2.577 101 V HA 0.452 4.592 4.120 0.033 0.000 0.303 101 V C -0.736 175.293 176.094 -0.108 0.000 1.042 101 V CA -0.824 61.407 62.300 -0.115 0.000 0.872 101 V CB 2.004 33.666 31.823 -0.269 0.000 0.998 101 V HN 0.541 nan 8.190 nan 0.000 0.423 102 W N 2.161 123.570 121.300 0.181 0.000 2.520 102 W HA 0.675 5.356 4.660 0.034 0.000 0.323 102 W C 0.094 176.734 176.519 0.202 0.000 1.062 102 W CA -0.434 57.021 57.345 0.184 0.000 1.215 102 W CB 2.242 31.782 29.460 0.133 0.000 1.340 102 W HN 0.463 nan 8.180 nan 0.000 0.516 103 T N 2.996 117.822 114.554 0.453 0.000 2.903 103 T HA 0.443 4.813 4.350 0.033 0.000 0.299 103 T C -2.579 172.304 174.700 0.305 0.000 1.093 103 T CA -1.852 60.465 62.100 0.362 0.000 1.002 103 T CB 2.049 71.170 68.868 0.422 0.000 1.127 103 T HN -0.076 nan 8.240 nan 0.000 0.488 104 P HA 0.162 nan 4.420 nan 0.000 0.268 104 P C -1.703 175.738 177.300 0.235 0.000 1.208 104 P CA 0.071 63.292 63.100 0.202 0.000 0.777 104 P CB 0.160 31.946 31.700 0.144 0.000 0.875 105 Y N 3.609 123.965 120.300 0.094 0.000 2.328 105 Y HA 0.411 4.981 4.550 0.033 0.000 0.333 105 Y C -2.091 173.844 175.900 0.058 0.000 0.958 105 Y CA -2.464 55.683 58.100 0.078 0.000 1.167 105 Y CB 1.106 39.599 38.460 0.056 0.000 1.151 105 Y HN 0.344 nan 8.280 nan 0.000 0.470 106 P HA 0.159 nan 4.420 nan 0.000 0.274 106 P C -0.692 176.555 177.300 -0.088 0.000 1.246 106 P CA -0.474 62.428 63.100 -0.330 0.000 0.795 106 P CB 0.990 32.545 31.700 -0.242 0.000 1.006 107 R N 1.033 121.489 120.500 -0.072 0.000 2.697 107 R HA 0.058 4.418 4.340 0.033 0.000 0.265 107 R C -1.805 174.515 176.300 0.033 0.000 1.009 107 R CA -0.791 55.330 56.100 0.034 0.000 1.099 107 R CB -0.702 29.616 30.300 0.029 0.000 0.965 107 R HN 0.385 nan 8.270 nan 0.000 0.428 108 P HA -0.085 nan 4.420 nan 0.000 0.264 108 P C -0.420 176.896 177.300 0.027 0.000 1.183 108 P CA 0.357 63.487 63.100 0.051 0.000 0.763 108 P CB 0.858 32.599 31.700 0.068 0.000 0.807 109 A N 3.312 126.142 122.820 0.017 0.000 1.845 109 A HA -0.073 4.267 4.320 0.033 0.000 0.215 109 A C 1.034 178.622 177.584 0.007 0.000 1.195 109 A CA 1.876 53.917 52.037 0.007 0.000 0.616 109 A CB -1.073 17.930 19.000 0.005 0.000 0.832 109 A HN 0.637 nan 8.150 nan 0.000 0.443 110 S N -0.761 114.945 115.700 0.011 0.000 2.638 110 S HA 0.613 5.103 4.470 0.033 0.000 0.298 110 S C -3.030 171.579 174.600 0.016 0.000 1.111 110 S CA -1.835 56.370 58.200 0.009 0.000 1.027 110 S CB 0.964 64.166 63.200 0.004 0.000 1.064 110 S HN 0.087 nan 8.310 nan 0.000 0.525 111 P HA 0.201 nan 4.420 nan 0.000 0.262 111 P C -0.647 176.665 177.300 0.019 0.000 1.182 111 P CA 0.248 63.359 63.100 0.018 0.000 0.761 111 P CB 0.155 31.859 31.700 0.006 0.000 0.795 112 T N 4.937 119.513 114.554 0.037 0.000 2.855 112 T HA 0.433 4.803 4.350 0.033 0.000 0.281 112 T C -2.459 172.261 174.700 0.033 0.000 1.007 112 T CA -1.877 60.245 62.100 0.037 0.000 1.009 112 T CB 1.002 69.907 68.868 0.062 0.000 0.983 112 T HN 0.143 nan 8.240 nan 0.000 0.455 113 P HA 0.153 nan 4.420 nan 0.000 0.266 113 P C -0.962 176.366 177.300 0.046 0.000 1.195 113 P CA -0.216 62.890 63.100 0.009 0.000 0.768 113 P CB 0.395 32.084 31.700 -0.019 0.000 0.838 114 V N 4.989 124.943 119.914 0.066 0.000 2.435 114 V HA 0.337 4.477 4.120 0.033 0.000 0.290 114 V C 0.243 176.405 176.094 0.114 0.000 1.030 114 V CA -0.470 61.896 62.300 0.110 0.000 0.881 114 V CB 1.245 33.150 31.823 0.136 0.000 0.983 114 V HN 0.362 nan 8.190 nan 0.000 0.445 115 L N 5.797 127.101 121.223 0.135 0.000 2.313 115 L HA 0.606 4.966 4.340 0.033 0.000 0.283 115 L C -0.669 176.423 176.870 0.369 0.000 1.013 115 L CA -0.318 54.611 54.840 0.148 0.000 0.816 115 L CB 1.739 43.744 42.059 -0.090 0.000 1.236 115 L HN 0.500 nan 8.230 nan 0.000 0.419 116 I N 2.927 123.758 120.570 0.436 0.000 2.354 116 I HA 0.190 4.381 4.170 0.033 0.000 0.286 116 I C -0.622 175.810 176.117 0.525 0.000 1.007 116 I CA -0.417 61.130 61.300 0.413 0.000 1.167 116 I CB 1.300 39.413 38.000 0.188 0.000 1.320 116 I HN 0.641 nan 8.210 nan 0.000 0.458 117 W N 8.651 130.111 121.300 0.267 0.000 2.322 117 W HA 0.503 5.182 4.660 0.033 0.000 0.307 117 W C -1.370 175.076 176.519 -0.122 0.000 1.220 117 W CA -0.559 56.694 57.345 -0.153 0.000 1.210 117 W CB 1.006 30.395 29.460 -0.117 0.000 1.223 117 W HN 0.374 nan 8.180 nan 0.000 0.511 118 I N 9.379 129.378 120.570 -0.950 0.000 2.354 118 I HA 0.074 4.264 4.170 0.033 0.000 0.286 118 I C -0.091 175.275 176.117 -1.251 0.000 1.007 118 I CA -1.115 59.666 61.300 -0.865 0.000 1.167 118 I CB 0.440 38.092 38.000 -0.579 0.000 1.320 118 I HN 0.305 nan 8.210 nan 0.000 0.458 119 Y N 4.597 124.433 120.300 -0.773 0.000 2.426 119 Y HA 0.652 5.222 4.550 0.033 0.000 0.344 119 Y C 0.777 176.485 175.900 -0.321 0.000 1.256 119 Y CA -0.809 56.914 58.100 -0.629 0.000 1.451 119 Y CB -0.070 38.214 38.460 -0.293 0.000 1.342 119 Y HN 0.526 nan 8.280 nan 0.000 0.600 120 G N -1.107 107.676 108.800 -0.027 0.000 2.642 120 G HA2 0.501 4.481 3.960 0.033 0.000 0.291 120 G HA3 0.501 4.481 3.960 0.033 0.000 0.291 120 G C 0.252 175.094 174.900 -0.098 0.000 1.345 120 G CA -0.950 44.079 45.100 -0.119 0.000 1.043 120 G HN 1.693 nan 8.290 nan 0.000 0.528 121 G N -2.873 105.719 108.800 -0.346 0.000 2.207 121 G HA2 0.412 4.392 3.960 0.033 0.000 0.193 121 G HA3 0.412 4.392 3.960 0.033 0.000 0.193 121 G C 1.012 175.415 174.900 -0.829 0.000 1.050 121 G CA 0.771 45.551 45.100 -0.532 0.000 0.780 121 G HN 2.368 nan 8.290 nan 0.000 0.504 122 G N -0.443 107.852 108.800 -0.841 0.000 2.155 122 G HA2 -0.128 3.852 3.960 0.033 0.000 0.257 122 G HA3 -0.128 3.852 3.960 0.033 0.000 0.257 122 G C 0.879 175.549 174.900 -0.383 0.000 0.983 122 G CA 0.616 44.987 45.100 -1.215 0.000 0.676 122 G HN 1.733 nan 8.290 nan 0.000 0.528 123 F N -2.853 117.001 119.950 -0.161 0.000 3.021 123 F HA -0.323 4.224 4.527 0.034 0.000 0.294 123 F C 1.430 177.363 175.800 0.221 0.000 0.761 123 F CA 2.194 60.219 58.000 0.042 0.000 1.102 123 F CB -2.130 36.737 39.000 -0.222 0.000 1.380 123 F HN 0.944 nan 8.300 nan 0.000 0.387 124 Y N -1.255 119.179 120.300 0.224 0.000 2.500 124 Y HA 0.635 5.205 4.550 0.033 0.000 0.246 124 Y C 0.580 176.636 175.900 0.260 0.000 1.146 124 Y CA 0.235 58.508 58.100 0.288 0.000 1.230 124 Y CB 0.042 38.693 38.460 0.318 0.000 1.214 124 Y HN 0.091 nan 8.280 nan 0.000 0.526 125 S N -0.817 114.682 115.700 -0.336 0.000 2.672 125 S HA 0.867 5.357 4.470 0.033 0.000 0.271 125 S C -0.191 174.257 174.600 -0.253 0.000 1.171 125 S CA -0.485 57.545 58.200 -0.284 0.000 0.817 125 S CB 1.420 64.333 63.200 -0.477 0.000 1.150 125 S HN 1.397 nan 8.310 nan 0.000 0.478 126 G N -0.642 107.979 108.800 -0.299 0.000 2.515 126 G HA2 0.550 4.530 3.960 0.033 0.000 0.686 126 G HA3 0.550 4.530 3.960 0.033 0.000 0.686 126 G C -0.634 173.673 174.900 -0.988 0.000 1.274 126 G CA -0.257 44.509 45.100 -0.558 0.000 0.874 126 G HN 2.271 nan 8.290 nan 0.000 0.631 127 A N -1.086 121.007 122.820 -1.212 0.000 2.599 127 A HA 1.001 5.341 4.320 0.033 0.000 0.294 127 A C 0.536 177.869 177.584 -0.418 0.000 1.055 127 A CA 0.649 52.184 52.037 -0.836 0.000 0.683 127 A CB 0.866 19.625 19.000 -0.400 0.000 1.278 127 A HN 2.588 nan 8.150 nan 0.000 0.412 128 A N 0.343 123.123 122.820 -0.067 0.000 2.208 128 A HA 0.284 4.624 4.320 0.033 0.000 0.209 128 A C 1.668 179.215 177.584 -0.062 0.000 1.161 128 A CA 1.649 53.815 52.037 0.214 0.000 0.782 128 A CB -0.557 18.658 19.000 0.359 0.000 0.816 128 A HN 1.780 nan 8.150 nan 0.000 0.477 129 S N -0.381 115.049 115.700 -0.450 0.000 2.593 129 S HA 0.286 4.776 4.470 0.033 0.000 0.217 129 S C 0.532 174.759 174.600 -0.621 0.000 0.966 129 S CA -0.400 57.124 58.200 -1.125 0.000 0.914 129 S CB -0.581 61.962 63.200 -1.094 0.000 0.776 129 S HN 0.395 nan 8.310 nan 0.000 0.523 130 L N 2.353 123.356 121.223 -0.367 0.000 2.483 130 L HA 0.148 4.508 4.340 0.033 0.000 0.276 130 L C 1.065 177.648 176.870 -0.479 0.000 1.213 130 L CA -0.436 54.135 54.840 -0.448 0.000 0.843 130 L CB 0.236 41.932 42.059 -0.604 0.000 1.107 130 L HN 0.085 nan 8.230 nan 0.000 0.487 131 D N 1.203 121.350 120.400 -0.422 0.000 2.218 131 D HA -0.126 4.534 4.640 0.033 0.000 0.204 131 D C 1.991 178.037 176.300 -0.423 0.000 0.976 131 D CA 1.143 54.956 54.000 -0.312 0.000 0.853 131 D CB 0.045 40.701 40.800 -0.240 0.000 0.939 131 D HN 0.533 nan 8.370 nan 0.000 0.481 132 V N -1.271 118.239 119.914 -0.672 0.000 3.078 132 V HA -0.163 3.977 4.120 0.033 0.000 0.265 132 V C 1.086 176.605 176.094 -0.958 0.000 1.122 132 V CA 1.022 62.880 62.300 -0.736 0.000 1.141 132 V CB -1.170 30.170 31.823 -0.806 0.000 0.735 132 V HN 0.054 nan 8.190 nan 0.000 0.498 133 Y N 0.216 119.975 120.300 -0.902 0.000 2.625 133 Y HA 0.458 5.028 4.550 0.033 0.000 0.285 133 Y C 0.763 176.028 175.900 -1.058 0.000 1.168 133 Y CA -1.960 55.229 58.100 -1.518 0.000 1.250 133 Y CB -0.720 37.233 38.460 -0.845 0.000 1.130 133 Y HN 0.225 nan 8.280 nan 0.000 0.526 134 D N 0.707 120.772 120.400 -0.557 0.000 2.346 134 D HA 0.075 4.735 4.640 0.033 0.000 0.260 134 D C 1.385 177.373 176.300 -0.520 0.000 1.252 134 D CA 0.323 54.101 54.000 -0.369 0.000 0.895 134 D CB 1.295 42.041 40.800 -0.091 0.000 1.097 134 D HN 0.473 nan 8.370 nan 0.000 0.489 135 G N 4.160 112.081 108.800 -1.464 0.000 2.848 135 G HA2 -0.176 3.804 3.960 0.033 0.000 0.208 135 G HA3 -0.176 3.804 3.960 0.033 0.000 0.208 135 G C 1.492 175.876 174.900 -0.861 0.000 1.152 135 G CA 0.071 44.489 45.100 -1.136 0.000 0.789 135 G HN 0.590 nan 8.290 nan 0.000 0.531 136 R N -0.472 119.467 120.500 -0.935 0.000 2.092 136 R HA 0.006 4.366 4.340 0.033 0.000 0.231 136 R C 1.697 177.764 176.300 -0.388 0.000 1.119 136 R CA 1.030 56.802 56.100 -0.547 0.000 0.970 136 R CB -0.731 29.247 30.300 -0.537 0.000 0.864 136 R HN 0.320 nan 8.270 nan 0.000 0.440 137 F N 1.720 121.587 119.950 -0.138 0.000 2.113 137 F HA 0.023 4.570 4.527 0.034 0.000 0.297 137 F C 2.417 178.169 175.800 -0.079 0.000 1.103 137 F CA 0.876 58.821 58.000 -0.092 0.000 1.248 137 F CB -0.533 38.403 39.000 -0.106 0.000 0.999 137 F HN -0.137 nan 8.300 nan 0.000 0.475 138 L N -0.234 121.039 121.223 0.083 0.000 2.046 138 L HA -0.197 4.163 4.340 0.033 0.000 0.208 138 L C 2.763 179.650 176.870 0.029 0.000 1.077 138 L CA 1.084 55.931 54.840 0.013 0.000 0.747 138 L CB -0.992 41.037 42.059 -0.050 0.000 0.896 138 L HN 0.176 nan 8.230 nan 0.000 0.432 139 A N -0.690 122.151 122.820 0.036 0.000 1.859 139 A HA -0.298 4.042 4.320 0.033 0.000 0.217 139 A C 2.289 179.921 177.584 0.079 0.000 1.198 139 A CA 1.974 54.066 52.037 0.093 0.000 0.629 139 A CB -0.677 18.417 19.000 0.156 0.000 0.830 139 A HN 0.412 nan 8.150 nan 0.000 0.446 140 Q N -0.365 119.466 119.800 0.051 0.000 2.046 140 Q HA -0.091 4.269 4.340 0.033 0.000 0.200 140 Q C 2.254 178.286 176.000 0.054 0.000 0.975 140 Q CA 2.061 57.896 55.803 0.053 0.000 0.836 140 Q CB -0.328 28.424 28.738 0.023 0.000 0.896 140 Q HN 0.429 nan 8.270 nan 0.000 0.428 141 V N 1.187 121.131 119.914 0.051 0.000 2.346 141 V HA -0.119 4.021 4.120 0.033 0.000 0.244 141 V C 1.785 177.897 176.094 0.030 0.000 1.037 141 V CA 1.560 63.885 62.300 0.041 0.000 1.029 141 V CB -0.189 31.658 31.823 0.040 0.000 0.663 141 V HN 0.246 nan 8.190 nan 0.000 0.454 142 E N -0.169 120.047 120.200 0.027 0.000 2.474 142 E HA 0.185 4.555 4.350 0.033 0.000 0.195 142 E C 1.736 178.355 176.600 0.033 0.000 1.039 142 E CA 0.752 57.165 56.400 0.021 0.000 0.881 142 E CB 0.396 30.101 29.700 0.007 0.000 0.970 142 E HN 0.605 nan 8.360 nan 0.000 0.486 143 G N 1.657 110.487 108.800 0.049 0.000 2.168 143 G HA2 -0.325 3.655 3.960 0.033 0.000 0.257 143 G HA3 -0.325 3.655 3.960 0.033 0.000 0.257 143 G C 0.540 175.484 174.900 0.072 0.000 0.997 143 G CA 0.418 45.555 45.100 0.063 0.000 0.708 143 G HN 0.504 nan 8.290 nan 0.000 0.520 144 A N -0.772 122.090 122.820 0.070 0.000 2.351 144 A HA 0.697 5.037 4.320 0.033 0.000 0.257 144 A C 0.526 178.188 177.584 0.130 0.000 1.087 144 A CA 0.148 52.232 52.037 0.077 0.000 0.798 144 A CB 1.134 20.162 19.000 0.048 0.000 1.033 144 A HN 1.100 nan 8.150 nan 0.000 0.488 145 V N 2.865 122.864 119.914 0.141 0.000 2.383 145 V HA 0.311 4.451 4.120 0.033 0.000 0.275 145 V C -0.446 175.781 176.094 0.221 0.000 1.036 145 V CA -0.275 62.141 62.300 0.193 0.000 0.889 145 V CB 0.818 32.744 31.823 0.172 0.000 0.985 145 V HN 0.697 nan 8.190 nan 0.000 0.459 146 L N 7.023 128.438 121.223 0.320 0.000 2.341 146 L HA 0.720 5.080 4.340 0.033 0.000 0.278 146 L C -0.397 176.783 176.870 0.517 0.000 1.005 146 L CA -0.012 55.071 54.840 0.405 0.000 0.818 146 L CB 1.945 44.238 42.059 0.390 0.000 1.259 146 L HN 0.424 nan 8.230 nan 0.000 0.418 147 V N 3.117 123.302 119.914 0.452 0.000 2.680 147 V HA 0.865 5.005 4.120 0.033 0.000 0.309 147 V C -0.407 175.954 176.094 0.445 0.000 1.052 147 V CA -0.488 62.032 62.300 0.367 0.000 0.908 147 V CB 1.994 33.945 31.823 0.213 0.000 1.001 147 V HN 0.888 nan 8.190 nan 0.000 0.431 148 S N 4.734 120.675 115.700 0.402 0.000 2.540 148 S HA 0.871 5.361 4.470 0.033 0.000 0.275 148 S C -0.955 173.798 174.600 0.254 0.000 1.123 148 S CA -0.813 57.626 58.200 0.400 0.000 0.907 148 S CB 2.277 65.840 63.200 0.604 0.000 1.081 148 S HN 0.951 nan 8.310 nan 0.000 0.476 149 M N 1.538 121.260 119.600 0.204 0.000 2.530 149 M HA 0.636 5.136 4.480 0.033 0.000 0.307 149 M C -1.728 174.781 176.300 0.349 0.000 1.161 149 M CA -0.553 54.862 55.300 0.191 0.000 0.903 149 M CB 1.214 33.770 32.600 -0.073 0.000 1.711 149 M HN 0.569 nan 8.290 nan 0.000 0.451 150 N N 3.095 122.055 118.700 0.433 0.000 2.530 150 N HA 0.504 5.264 4.740 0.033 0.000 0.273 150 N C -1.310 174.458 175.510 0.431 0.000 1.173 150 N CA 0.178 53.492 53.050 0.439 0.000 0.967 150 N CB 0.377 39.053 38.487 0.315 0.000 1.109 150 N HN 0.723 nan 8.380 nan 0.000 0.453 151 Y N -1.676 118.782 120.300 0.263 0.000 2.545 151 Y HA 0.579 5.149 4.550 0.033 0.000 0.348 151 Y C 0.009 176.040 175.900 0.217 0.000 1.002 151 Y CA -1.357 56.855 58.100 0.188 0.000 1.039 151 Y CB 0.967 39.468 38.460 0.068 0.000 1.271 151 Y HN 0.192 nan 8.280 nan 0.000 0.467 152 R N 1.800 122.457 120.500 0.261 0.000 2.537 152 R HA 0.501 4.861 4.340 0.033 0.000 0.280 152 R C -0.509 175.970 176.300 0.299 0.000 1.058 152 R CA -0.280 55.931 56.100 0.186 0.000 1.057 152 R CB 0.955 31.322 30.300 0.112 0.000 0.973 152 R HN 0.728 nan 8.270 nan 0.000 0.438 153 V N -0.409 119.712 119.914 0.345 0.000 3.074 153 V HA 0.906 5.046 4.120 0.033 0.000 0.314 153 V C 0.571 176.991 176.094 0.543 0.000 1.117 153 V CA -0.047 62.559 62.300 0.511 0.000 1.014 153 V CB 1.368 33.395 31.823 0.340 0.000 1.057 153 V HN 0.987 nan 8.190 nan 0.000 0.438 154 G N 2.385 111.539 108.800 0.590 0.000 2.562 154 G HA2 -0.237 3.743 3.960 0.033 0.000 0.250 154 G HA3 -0.237 3.743 3.960 0.033 0.000 0.250 154 G C 0.951 175.967 174.900 0.194 0.000 1.269 154 G CA 1.058 46.415 45.100 0.429 0.000 0.919 154 G HN 2.397 nan 8.290 nan 0.000 0.574 155 T N -1.702 112.672 114.554 -0.300 0.000 2.737 155 T HA -0.120 4.250 4.350 0.033 0.000 0.269 155 T C 2.107 176.644 174.700 -0.272 0.000 1.040 155 T CA 2.660 64.328 62.100 -0.720 0.000 1.142 155 T CB -0.396 67.916 68.868 -0.926 0.000 0.861 155 T HN 0.624 nan 8.240 nan 0.000 0.456 156 F N 2.072 122.078 119.950 0.093 0.000 2.234 156 F HA 0.257 4.804 4.527 0.033 0.000 0.299 156 F C 2.764 178.575 175.800 0.020 0.000 1.087 156 F CA 0.788 58.817 58.000 0.049 0.000 1.340 156 F CB -0.867 38.135 39.000 0.003 0.000 1.031 156 F HN 0.373 nan 8.300 nan 0.000 0.500 157 G N -2.172 106.717 108.800 0.150 0.000 2.719 157 G HA2 0.023 4.003 3.960 0.033 0.000 0.211 157 G HA3 0.023 4.003 3.960 0.033 0.000 0.211 157 G C 0.886 175.373 174.900 -0.688 0.000 1.140 157 G CA 0.232 45.180 45.100 -0.253 0.000 0.790 157 G HN 0.334 nan 8.290 nan 0.000 0.529 158 F N -0.611 119.423 119.950 0.139 0.000 2.915 158 F HA 0.432 4.979 4.527 0.034 0.000 0.347 158 F C 0.492 176.360 175.800 0.113 0.000 1.104 158 F CA -1.000 57.062 58.000 0.104 0.000 1.126 158 F CB 0.353 39.427 39.000 0.123 0.000 1.145 158 F HN -0.083 nan 8.300 nan 0.000 0.541 159 L N 2.073 123.327 121.223 0.052 0.000 2.499 159 L HA 0.522 4.882 4.340 0.033 0.000 0.273 159 L C -0.088 176.731 176.870 -0.086 0.000 1.195 159 L CA 0.071 54.834 54.840 -0.128 0.000 0.882 159 L CB 0.500 42.186 42.059 -0.622 0.000 1.133 159 L HN 0.117 nan 8.230 nan 0.000 0.483 160 A N 6.159 128.966 122.820 -0.022 0.000 2.488 160 A HA 0.648 4.988 4.320 0.033 0.000 0.298 160 A C -1.230 176.326 177.584 -0.047 0.000 1.044 160 A CA -0.560 51.460 52.037 -0.029 0.000 0.693 160 A CB 1.291 20.310 19.000 0.032 0.000 1.272 160 A HN 0.691 nan 8.150 nan 0.000 0.402 161 L N 3.332 124.515 121.223 -0.067 0.000 2.387 161 L HA 0.336 4.697 4.340 0.033 0.000 0.259 161 L C -2.488 174.366 176.870 -0.026 0.000 1.050 161 L CA -1.752 53.057 54.840 -0.051 0.000 0.922 161 L CB 1.593 43.608 42.059 -0.074 0.000 1.280 161 L HN 0.398 nan 8.230 nan 0.000 0.449 162 P HA 0.092 nan 4.420 nan 0.000 0.265 162 P C 0.970 178.269 177.300 -0.002 0.000 1.193 162 P CA 0.708 63.806 63.100 -0.003 0.000 0.765 162 P CB 0.973 32.672 31.700 -0.001 0.000 0.823 163 G N 1.811 110.613 108.800 0.005 0.000 2.241 163 G HA2 -0.247 3.733 3.960 0.033 0.000 0.244 163 G HA3 -0.247 3.733 3.960 0.033 0.000 0.244 163 G C 0.386 175.289 174.900 0.005 0.000 0.998 163 G CA 0.259 45.362 45.100 0.005 0.000 0.621 163 G HN 0.810 nan 8.290 nan 0.000 0.519 164 S N -0.080 115.620 115.700 0.001 0.000 2.592 164 S HA 0.606 5.096 4.470 0.033 0.000 0.271 164 S C 1.304 175.912 174.600 0.012 0.000 1.326 164 S CA 0.305 58.506 58.200 0.002 0.000 1.024 164 S CB 1.576 64.770 63.200 -0.010 0.000 0.921 164 S HN 0.460 nan 8.310 nan 0.000 0.527 165 R N 0.995 121.505 120.500 0.016 0.000 2.119 165 R HA -0.003 4.357 4.340 0.033 0.000 0.222 165 R C 1.642 177.962 176.300 0.033 0.000 1.088 165 R CA 1.262 57.377 56.100 0.024 0.000 0.984 165 R CB -0.117 30.197 30.300 0.022 0.000 0.884 165 R HN 0.863 nan 8.270 nan 0.000 0.447 166 E N -0.077 120.143 120.200 0.035 0.000 2.460 166 E HA 0.107 4.477 4.350 0.033 0.000 0.200 166 E C 0.021 176.670 176.600 0.082 0.000 1.011 166 E CA 0.225 56.660 56.400 0.058 0.000 0.912 166 E CB 0.954 30.690 29.700 0.060 0.000 0.953 166 E HN 0.136 nan 8.360 nan 0.000 0.494 167 A N 2.600 125.442 122.820 0.037 0.000 3.300 167 A HA 0.361 4.701 4.320 0.033 0.000 0.300 167 A C -2.182 175.401 177.584 -0.003 0.000 1.099 167 A CA -0.965 51.079 52.037 0.013 0.000 0.846 167 A CB 0.938 19.860 19.000 -0.129 0.000 1.255 167 A HN -0.074 nan 8.150 nan 0.000 0.519 168 P HA 0.177 nan 4.420 nan 0.000 0.227 168 P C 0.891 178.204 177.300 0.021 0.000 1.161 168 P CA 1.699 64.813 63.100 0.023 0.000 0.788 168 P CB 0.275 31.998 31.700 0.038 0.000 0.822 169 G N 0.536 109.346 108.800 0.016 0.000 2.662 169 G HA2 -0.144 3.837 3.960 0.033 0.000 0.686 169 G HA3 -0.144 3.837 3.960 0.033 0.000 0.686 169 G C -0.198 174.694 174.900 -0.014 0.000 1.271 169 G CA -0.302 44.808 45.100 0.017 0.000 0.816 169 G HN 0.113 nan 8.290 nan 0.000 0.608 170 N N -2.398 116.286 118.700 -0.028 0.000 2.800 170 N HA -0.276 4.484 4.740 0.033 0.000 0.250 170 N C 1.851 177.203 175.510 -0.264 0.000 1.078 170 N CA 2.380 55.350 53.050 -0.134 0.000 0.804 170 N CB -1.694 36.655 38.487 -0.231 0.000 1.135 170 N HN 1.916 nan 8.380 nan 0.000 0.565 171 V N -2.633 117.118 119.914 -0.273 0.000 2.626 171 V HA 0.034 4.174 4.120 0.033 0.000 0.252 171 V C 2.292 178.253 176.094 -0.221 0.000 1.067 171 V CA 2.249 64.445 62.300 -0.173 0.000 1.081 171 V CB -0.835 30.940 31.823 -0.080 0.000 0.686 171 V HN 0.266 nan 8.190 nan 0.000 0.468 172 G N 0.418 108.891 108.800 -0.545 0.000 2.422 172 G HA2 -0.118 3.862 3.960 0.033 0.000 0.218 172 G HA3 -0.118 3.862 3.960 0.033 0.000 0.218 172 G C 1.527 176.389 174.900 -0.062 0.000 1.140 172 G CA 1.099 46.025 45.100 -0.290 0.000 0.775 172 G HN 0.548 nan 8.290 nan 0.000 0.545 173 L N -0.257 120.876 121.223 -0.150 0.000 2.179 173 L HA 0.139 4.499 4.340 0.033 0.000 0.208 173 L C 2.732 179.640 176.870 0.064 0.000 1.096 173 L CA 0.258 54.998 54.840 -0.168 0.000 0.779 173 L CB -0.220 41.410 42.059 -0.716 0.000 0.922 173 L HN 0.166 nan 8.230 nan 0.000 0.443 174 L N -0.661 120.602 121.223 0.067 0.000 2.156 174 L HA -0.162 4.198 4.340 0.033 0.000 0.208 174 L C 2.145 179.135 176.870 0.200 0.000 1.095 174 L CA 0.696 55.661 54.840 0.207 0.000 0.770 174 L CB -0.572 41.583 42.059 0.160 0.000 0.914 174 L HN 0.247 nan 8.230 nan 0.000 0.439 175 D N 0.212 120.717 120.400 0.176 0.000 2.092 175 D HA -0.226 4.434 4.640 0.033 0.000 0.193 175 D C 2.257 178.695 176.300 0.230 0.000 0.994 175 D CA 1.347 55.526 54.000 0.297 0.000 0.828 175 D CB -0.260 40.731 40.800 0.319 0.000 0.963 175 D HN 0.387 nan 8.370 nan 0.000 0.450 176 Q N 0.080 119.956 119.800 0.127 0.000 2.096 176 Q HA -0.143 4.217 4.340 0.033 0.000 0.204 176 Q C 2.300 178.284 176.000 -0.027 0.000 0.982 176 Q CA 1.116 56.915 55.803 -0.006 0.000 0.850 176 Q CB -0.109 28.625 28.738 -0.007 0.000 0.901 176 Q HN 0.207 nan 8.270 nan 0.000 0.422 177 R N 0.548 121.143 120.500 0.157 0.000 2.105 177 R HA -0.184 4.176 4.340 0.033 0.000 0.239 177 R C 2.166 178.517 176.300 0.085 0.000 1.135 177 R CA 1.067 57.252 56.100 0.143 0.000 0.967 177 R CB -0.215 30.274 30.300 0.315 0.000 0.861 177 R HN 0.221 nan 8.270 nan 0.000 0.442 178 L N 0.684 121.980 121.223 0.122 0.000 2.046 178 L HA -0.051 4.309 4.340 0.033 0.000 0.208 178 L C 2.289 179.181 176.870 0.037 0.000 1.077 178 L CA 2.079 57.014 54.840 0.159 0.000 0.747 178 L CB -0.659 41.589 42.059 0.315 0.000 0.896 178 L HN 0.261 nan 8.230 nan 0.000 0.432 179 A N -0.965 121.656 122.820 -0.332 0.000 1.933 179 A HA -0.178 4.162 4.320 0.033 0.000 0.218 179 A C 2.124 179.651 177.584 -0.095 0.000 1.175 179 A CA 1.841 53.551 52.037 -0.545 0.000 0.628 179 A CB -0.774 17.685 19.000 -0.902 0.000 0.814 179 A HN 0.404 nan 8.150 nan 0.000 0.444 180 L N -0.674 120.505 121.223 -0.073 0.000 2.046 180 L HA -0.179 4.182 4.340 0.033 0.000 0.208 180 L C 2.638 179.561 176.870 0.089 0.000 1.077 180 L CA 2.268 57.110 54.840 0.004 0.000 0.747 180 L CB -0.924 41.100 42.059 -0.057 0.000 0.896 180 L HN 0.533 nan 8.230 nan 0.000 0.432 181 Q N -1.485 118.376 119.800 0.101 0.000 2.124 181 Q HA -0.264 4.096 4.340 0.033 0.000 0.202 181 Q C 2.166 178.260 176.000 0.157 0.000 0.977 181 Q CA 1.705 57.578 55.803 0.117 0.000 0.850 181 Q CB -0.624 28.184 28.738 0.117 0.000 0.901 181 Q HN 0.506 nan 8.270 nan 0.000 0.429 182 W N -0.678 120.637 121.300 0.025 0.000 2.338 182 W HA -0.207 4.474 4.660 0.034 0.000 0.304 182 W C 1.723 178.275 176.519 0.055 0.000 1.212 182 W CA 1.773 59.152 57.345 0.056 0.000 1.264 182 W CB -0.113 29.380 29.460 0.054 0.000 1.142 182 W HN 0.022 nan 8.180 nan 0.000 0.512 183 V N 0.665 120.805 119.914 0.377 0.000 2.358 183 V HA -0.319 3.821 4.120 0.033 0.000 0.246 183 V C 2.511 178.647 176.094 0.070 0.000 1.047 183 V CA 1.942 64.394 62.300 0.254 0.000 1.035 183 V CB -0.962 31.012 31.823 0.253 0.000 0.658 183 V HN 0.183 nan 8.190 nan 0.000 0.452 184 Q N 0.004 119.843 119.800 0.066 0.000 2.135 184 Q HA -0.240 4.120 4.340 0.033 0.000 0.204 184 Q C 2.167 178.148 176.000 -0.032 0.000 0.981 184 Q CA 1.779 57.603 55.803 0.034 0.000 0.856 184 Q CB -0.245 28.517 28.738 0.041 0.000 0.902 184 Q HN 0.730 nan 8.270 nan 0.000 0.425 185 E N -0.398 119.743 120.200 -0.099 0.000 2.230 185 E HA -0.008 4.362 4.350 0.033 0.000 0.192 185 E C 1.221 177.671 176.600 -0.249 0.000 0.987 185 E CA 0.396 56.700 56.400 -0.160 0.000 0.841 185 E CB 0.273 29.867 29.700 -0.176 0.000 0.783 185 E HN 0.306 nan 8.360 nan 0.000 0.481 186 N N -0.220 118.250 118.700 -0.384 0.000 2.239 186 N HA 0.035 4.795 4.740 0.033 0.000 0.208 186 N C 1.320 176.763 175.510 -0.112 0.000 1.200 186 N CA 0.066 52.848 53.050 -0.447 0.000 0.895 186 N CB 0.627 38.413 38.487 -1.169 0.000 1.085 186 N HN 0.040 nan 8.380 nan 0.000 0.500 187 I N 2.272 122.829 120.570 -0.021 0.000 2.546 187 I HA -0.018 4.172 4.170 0.033 0.000 0.255 187 I C 2.131 178.384 176.117 0.226 0.000 1.163 187 I CA 0.489 61.904 61.300 0.191 0.000 1.457 187 I CB -0.256 37.825 38.000 0.135 0.000 1.092 187 I HN 0.041 nan 8.210 nan 0.000 0.434 188 A N 0.408 123.280 122.820 0.087 0.000 1.978 188 A HA -0.187 4.153 4.320 0.033 0.000 0.220 188 A C 2.475 180.070 177.584 0.018 0.000 1.170 188 A CA 1.739 53.803 52.037 0.046 0.000 0.636 188 A CB -1.124 17.874 19.000 -0.004 0.000 0.810 188 A HN 0.470 nan 8.150 nan 0.000 0.448 189 A N -1.591 121.204 122.820 -0.041 0.000 2.070 189 A HA 0.078 4.418 4.320 0.033 0.000 0.220 189 A C 1.534 178.907 177.584 -0.351 0.000 1.159 189 A CA 1.233 53.124 52.037 -0.243 0.000 0.656 189 A CB -0.625 18.124 19.000 -0.419 0.000 0.800 189 A HN 0.510 nan 8.150 nan 0.000 0.453 190 F N -1.479 118.429 119.950 -0.070 0.000 2.695 190 F HA 0.390 4.937 4.527 0.034 0.000 0.303 190 F C 1.812 177.621 175.800 0.015 0.000 1.091 190 F CA 0.465 58.436 58.000 -0.048 0.000 1.300 190 F CB 0.256 39.239 39.000 -0.028 0.000 1.071 190 F HN 0.322 nan 8.300 nan 0.000 0.578 191 G N 0.086 108.978 108.800 0.153 0.000 2.175 191 G HA2 -0.198 3.783 3.960 0.033 0.000 0.244 191 G HA3 -0.198 3.783 3.960 0.033 0.000 0.244 191 G C 0.754 175.723 174.900 0.115 0.000 0.982 191 G CA -0.296 44.869 45.100 0.108 0.000 0.641 191 G HN 0.716 nan 8.290 nan 0.000 0.527 192 G N -0.247 108.646 108.800 0.155 0.000 2.527 192 G HA2 0.428 4.408 3.960 0.033 0.000 0.248 192 G HA3 0.428 4.408 3.960 0.033 0.000 0.248 192 G C -0.543 174.405 174.900 0.081 0.000 1.231 192 G CA 0.453 45.627 45.100 0.123 0.000 0.838 192 G HN 0.228 nan 8.290 nan 0.000 0.570 193 D N 1.640 122.074 120.400 0.057 0.000 2.396 193 D HA 0.262 4.922 4.640 0.033 0.000 0.225 193 D C -1.111 175.211 176.300 0.037 0.000 1.121 193 D CA -2.330 51.685 54.000 0.025 0.000 0.853 193 D CB 1.837 42.631 40.800 -0.009 0.000 1.043 193 D HN 0.059 nan 8.370 nan 0.000 0.500 194 P HA -0.063 nan 4.420 nan 0.000 0.230 194 P C 1.110 178.489 177.300 0.132 0.000 1.158 194 P CA 0.607 63.762 63.100 0.092 0.000 0.769 194 P CB 0.164 31.905 31.700 0.068 0.000 0.807 195 M N -1.028 118.575 119.600 0.004 0.000 2.568 195 M HA 0.097 4.597 4.480 0.033 0.000 0.226 195 M C 0.581 176.474 176.300 -0.679 0.000 1.148 195 M CA 0.435 55.625 55.300 -0.183 0.000 1.007 195 M CB 0.025 32.552 32.600 -0.121 0.000 1.651 195 M HN -0.171 nan 8.290 nan 0.000 0.488 196 S N 0.864 116.351 115.700 -0.355 0.000 2.386 196 S HA 0.403 4.893 4.470 0.033 0.000 0.152 196 S C -0.989 173.616 174.600 0.008 0.000 1.511 196 S CA -0.529 57.495 58.200 -0.294 0.000 1.246 196 S CB 0.408 63.499 63.200 -0.182 0.000 1.338 196 S HN 0.023 nan 8.310 nan 0.000 0.409 197 V N 3.225 123.301 119.914 0.270 0.000 2.459 197 V HA 0.623 4.763 4.120 0.033 0.000 0.295 197 V C 0.024 176.293 176.094 0.292 0.000 1.029 197 V CA -0.426 62.044 62.300 0.284 0.000 0.874 197 V CB 2.025 34.041 31.823 0.323 0.000 0.985 197 V HN 0.694 nan 8.190 nan 0.000 0.438 198 T N 6.137 120.808 114.554 0.195 0.000 2.809 198 T HA 0.573 4.943 4.350 0.033 0.000 0.284 198 T C -0.349 174.473 174.700 0.202 0.000 0.992 198 T CA -0.363 61.849 62.100 0.186 0.000 0.957 198 T CB 0.874 69.797 68.868 0.093 0.000 0.942 198 T HN 0.351 nan 8.240 nan 0.000 0.439 199 L N 4.822 126.131 121.223 0.143 0.000 2.349 199 L HA 0.659 5.019 4.340 0.033 0.000 0.275 199 L C -0.390 176.666 176.870 0.309 0.000 1.115 199 L CA -0.764 54.135 54.840 0.099 0.000 0.820 199 L CB 0.232 42.130 42.059 -0.268 0.000 1.135 199 L HN 0.617 nan 8.230 nan 0.000 0.445 200 F N 0.655 120.663 119.950 0.096 0.000 2.588 200 F HA 0.963 5.510 4.527 0.033 0.000 0.310 200 F C -0.272 175.522 175.800 -0.010 0.000 1.082 200 F CA -1.485 56.621 58.000 0.176 0.000 0.929 200 F CB 1.523 40.765 39.000 0.404 0.000 1.254 200 F HN 0.471 nan 8.300 nan 0.000 0.455 201 G N 1.244 109.940 108.800 -0.175 0.000 2.608 201 G HA2 0.505 4.485 3.960 0.033 0.000 0.291 201 G HA3 0.505 4.485 3.960 0.033 0.000 0.291 201 G C -2.475 172.244 174.900 -0.303 0.000 1.425 201 G CA -0.794 43.810 45.100 -0.827 0.000 0.787 201 G HN 0.850 nan 8.290 nan 0.000 0.484 202 E N 0.090 120.083 120.200 -0.343 0.000 2.266 202 E HA 0.614 4.984 4.350 0.033 0.000 0.268 202 E C 0.591 177.144 176.600 -0.077 0.000 0.879 202 E CA 0.285 56.674 56.400 -0.019 0.000 0.762 202 E CB 2.189 32.006 29.700 0.194 0.000 1.199 202 E HN 0.921 nan 8.360 nan 0.000 0.422 203 S N 2.918 118.637 115.700 0.031 0.000 4.139 203 S HA -0.394 4.096 4.470 0.033 0.000 0.603 203 S C 1.457 176.135 174.600 0.130 0.000 1.897 203 S CA 2.222 60.506 58.200 0.140 0.000 4.241 203 S CB -1.616 61.632 63.200 0.079 0.000 0.221 203 S HN 0.983 nan 8.310 nan 0.000 0.488 204 A N 1.100 123.858 122.820 -0.103 0.000 2.070 204 A HA 0.211 4.551 4.320 0.033 0.000 0.220 204 A C 2.436 179.748 177.584 -0.453 0.000 1.159 204 A CA 2.255 54.034 52.037 -0.429 0.000 0.656 204 A CB -1.478 16.838 19.000 -1.141 0.000 0.800 204 A HN 1.570 nan 8.150 nan 0.000 0.453 205 G N -0.684 107.917 108.800 -0.332 0.000 2.421 205 G HA2 0.085 4.065 3.960 0.033 0.000 0.217 205 G HA3 0.085 4.065 3.960 0.033 0.000 0.217 205 G C 1.652 176.389 174.900 -0.273 0.000 1.143 205 G CA 1.133 46.001 45.100 -0.386 0.000 0.784 205 G HN 0.716 nan 8.290 nan 0.000 0.541 206 A N 1.153 123.883 122.820 -0.149 0.000 1.929 206 A HA 0.389 4.729 4.320 0.033 0.000 0.216 206 A C 2.791 180.367 177.584 -0.014 0.000 1.176 206 A CA 1.909 53.919 52.037 -0.046 0.000 0.628 206 A CB -0.705 18.320 19.000 0.042 0.000 0.816 206 A HN 0.666 nan 8.150 nan 0.000 0.444 207 A N -0.235 122.601 122.820 0.026 0.000 1.883 207 A HA -0.116 4.225 4.320 0.033 0.000 0.217 207 A C 2.449 180.048 177.584 0.024 0.000 1.186 207 A CA 2.193 54.243 52.037 0.022 0.000 0.624 207 A CB -1.005 18.041 19.000 0.077 0.000 0.822 207 A HN 0.447 nan 8.150 nan 0.000 0.444 208 S N -0.386 115.328 115.700 0.023 0.000 2.359 208 S HA -0.188 4.302 4.470 0.033 0.000 0.222 208 S C 1.928 176.516 174.600 -0.021 0.000 1.038 208 S CA 1.615 59.792 58.200 -0.037 0.000 1.051 208 S CB -0.751 62.361 63.200 -0.146 0.000 0.944 208 S HN 0.364 nan 8.310 nan 0.000 0.433 209 V N 1.711 121.615 119.914 -0.017 0.000 2.278 209 V HA -0.258 3.882 4.120 0.033 0.000 0.251 209 V C 2.609 178.713 176.094 0.017 0.000 1.062 209 V CA 2.128 64.421 62.300 -0.011 0.000 1.038 209 V CB -1.592 30.189 31.823 -0.069 0.000 0.646 209 V HN 0.628 nan 8.190 nan 0.000 0.447 210 G N -1.295 107.507 108.800 0.004 0.000 2.432 210 G HA2 -0.261 3.719 3.960 0.033 0.000 0.219 210 G HA3 -0.261 3.719 3.960 0.033 0.000 0.219 210 G C 1.605 176.534 174.900 0.048 0.000 1.135 210 G CA 1.036 46.145 45.100 0.015 0.000 0.767 210 G HN 0.461 nan 8.290 nan 0.000 0.550 211 M N -0.180 119.430 119.600 0.017 0.000 2.229 211 M HA 0.018 4.518 4.480 0.033 0.000 0.264 211 M C 2.300 178.671 176.300 0.119 0.000 1.063 211 M CA 0.859 56.193 55.300 0.058 0.000 1.114 211 M CB -0.216 32.377 32.600 -0.012 0.000 1.387 211 M HN 0.213 nan 8.290 nan 0.000 0.420 212 H N -0.137 119.049 119.070 0.193 0.000 2.423 212 H HA -0.016 4.560 4.556 0.033 0.000 0.297 212 H C 2.113 177.631 175.328 0.317 0.000 1.075 212 H CA 1.417 57.585 56.048 0.200 0.000 1.342 212 H CB -0.301 29.468 29.762 0.012 0.000 1.395 212 H HN 0.417 nan 8.280 nan 0.000 0.530 213 I N 0.728 121.544 120.570 0.409 0.000 2.286 213 I HA -0.234 3.956 4.170 0.033 0.000 0.248 213 I C 1.820 178.110 176.117 0.289 0.000 1.115 213 I CA 1.079 62.630 61.300 0.419 0.000 1.392 213 I CB -0.080 38.084 38.000 0.273 0.000 1.065 213 I HN 0.113 nan 8.210 nan 0.000 0.418 214 L N -0.861 120.487 121.223 0.210 0.000 2.592 214 L HA 0.125 4.485 4.340 0.033 0.000 0.227 214 L C 0.809 177.717 176.870 0.063 0.000 1.127 214 L CA 0.033 54.967 54.840 0.157 0.000 0.884 214 L CB 0.044 42.183 42.059 0.134 0.000 1.065 214 L HN 0.011 nan 8.230 nan 0.000 0.457 215 S N -0.298 115.406 115.700 0.008 0.000 2.530 215 S HA 0.276 4.766 4.470 0.033 0.000 0.322 215 S C 0.625 175.147 174.600 -0.131 0.000 1.085 215 S CA -0.600 57.489 58.200 -0.185 0.000 1.096 215 S CB 1.482 64.295 63.200 -0.644 0.000 0.988 215 S HN 0.102 nan 8.310 nan 0.000 0.466 216 L N 7.309 128.463 121.223 -0.116 0.000 2.013 216 L HA 0.068 4.429 4.340 0.033 0.000 0.212 216 L C -0.968 175.854 176.870 -0.080 0.000 1.073 216 L CA 2.170 56.962 54.840 -0.081 0.000 0.753 216 L CB -1.088 40.926 42.059 -0.075 0.000 0.890 216 L HN 0.506 nan 8.230 nan 0.000 0.432 217 P HA -0.141 nan 4.420 nan 0.000 0.217 217 P C 1.694 178.983 177.300 -0.019 0.000 1.148 217 P CA 1.546 64.605 63.100 -0.068 0.000 0.828 217 P CB -0.011 31.634 31.700 -0.092 0.000 0.783 218 S N -1.193 114.517 115.700 0.018 0.000 2.461 218 S HA -0.021 4.469 4.470 0.033 0.000 0.228 218 S C 1.773 176.469 174.600 0.160 0.000 1.005 218 S CA 0.609 58.919 58.200 0.183 0.000 0.942 218 S CB -0.374 63.070 63.200 0.408 0.000 0.776 218 S HN 0.107 nan 8.310 nan 0.000 0.514 219 R N 1.817 122.303 120.500 -0.024 0.000 2.189 219 R HA 0.049 4.409 4.340 0.033 0.000 0.223 219 R C 2.191 178.261 176.300 -0.383 0.000 1.092 219 R CA 1.117 57.032 56.100 -0.307 0.000 0.989 219 R CB -1.079 29.098 30.300 -0.205 0.000 0.876 219 R HN 0.562 nan 8.270 nan 0.000 0.457 220 S N -0.059 115.521 115.700 -0.201 0.000 2.603 220 S HA 0.095 4.585 4.470 0.033 0.000 0.220 220 S C 1.635 176.136 174.600 -0.165 0.000 0.967 220 S CA 0.217 58.307 58.200 -0.183 0.000 0.920 220 S CB -0.141 63.002 63.200 -0.094 0.000 0.773 220 S HN 0.211 nan 8.310 nan 0.000 0.529 221 L N 0.276 121.434 121.223 -0.109 0.000 2.693 221 L HA 0.492 4.852 4.340 0.033 0.000 0.235 221 L C -0.015 176.926 176.870 0.118 0.000 1.127 221 L CA -0.314 54.543 54.840 0.030 0.000 0.914 221 L CB -0.029 42.099 42.059 0.115 0.000 1.193 221 L HN 0.502 nan 8.230 nan 0.000 0.502 222 F N -3.947 115.850 119.950 -0.255 0.000 2.741 222 F HA 0.458 5.005 4.527 0.033 0.000 0.313 222 F C 0.202 175.710 175.800 -0.486 0.000 1.153 222 F CA -1.053 56.793 58.000 -0.257 0.000 0.931 222 F CB 0.866 39.832 39.000 -0.057 0.000 1.335 222 F HN -0.138 nan 8.300 nan 0.000 0.460 223 H N -1.188 117.925 119.070 0.072 0.000 2.926 223 H HA 0.522 5.098 4.556 0.033 0.000 0.249 223 H C -0.166 175.194 175.328 0.052 0.000 0.963 223 H CA -0.104 55.917 56.048 -0.045 0.000 1.158 223 H CB 0.568 30.308 29.762 -0.037 0.000 1.445 223 H HN 0.387 nan 8.280 nan 0.000 0.452 224 R N 0.048 120.745 120.500 0.328 0.000 2.836 224 R HA 0.823 5.183 4.340 0.033 0.000 0.269 224 R C -1.394 175.149 176.300 0.405 0.000 1.010 224 R CA -0.893 55.359 56.100 0.252 0.000 0.930 224 R CB 2.629 32.879 30.300 -0.082 0.000 1.218 224 R HN 0.183 nan 8.270 nan 0.000 0.473 225 A N 0.896 123.966 122.820 0.416 0.000 2.539 225 A HA 0.716 5.056 4.320 0.033 0.000 0.296 225 A C -1.471 176.277 177.584 0.273 0.000 1.073 225 A CA -0.611 51.608 52.037 0.304 0.000 0.700 225 A CB 2.003 21.130 19.000 0.213 0.000 1.296 225 A HN 0.311 nan 8.150 nan 0.000 0.405 226 V N 1.748 121.769 119.914 0.177 0.000 2.525 226 V HA 0.457 4.597 4.120 0.033 0.000 0.299 226 V C -1.252 174.926 176.094 0.140 0.000 1.034 226 V CA -0.227 62.116 62.300 0.072 0.000 0.863 226 V CB 1.302 33.182 31.823 0.096 0.000 0.999 226 V HN 0.680 nan 8.190 nan 0.000 0.423 227 L N 5.212 126.491 121.223 0.093 0.000 2.301 227 L HA 0.510 4.870 4.340 0.033 0.000 0.278 227 L C 0.099 177.066 176.870 0.161 0.000 1.022 227 L CA 0.088 54.984 54.840 0.093 0.000 0.854 227 L CB 1.423 43.497 42.059 0.025 0.000 1.226 227 L HN 0.616 nan 8.230 nan 0.000 0.429 228 Q N 2.084 122.027 119.800 0.240 0.000 2.360 228 Q HA 0.409 4.769 4.340 0.033 0.000 0.254 228 Q C 0.184 176.307 176.000 0.204 0.000 0.975 228 Q CA -0.438 55.558 55.803 0.322 0.000 0.912 228 Q CB 1.089 30.096 28.738 0.448 0.000 1.212 228 Q HN 0.628 nan 8.270 nan 0.000 0.452 229 S N 1.082 116.885 115.700 0.173 0.000 3.682 229 S HA -0.145 4.345 4.470 0.033 0.000 0.354 229 S C -0.006 174.765 174.600 0.284 0.000 1.034 229 S CA 0.479 58.802 58.200 0.206 0.000 1.084 229 S CB -1.226 62.082 63.200 0.179 0.000 0.903 229 S HN 1.011 nan 8.310 nan 0.000 0.470 230 G N -0.385 108.548 108.800 0.222 0.000 2.442 230 G HA2 0.626 4.606 3.960 0.033 0.000 0.296 230 G HA3 0.626 4.606 3.960 0.033 0.000 0.296 230 G C -0.949 174.025 174.900 0.125 0.000 1.564 230 G CA 0.220 45.500 45.100 0.299 0.000 0.828 230 G HN 1.027 nan 8.290 nan 0.000 0.571 231 T N -0.995 113.588 114.554 0.047 0.000 2.889 231 T HA 0.735 5.105 4.350 0.033 0.000 0.315 231 T C -2.360 172.213 174.700 -0.211 0.000 1.291 231 T CA -1.201 60.847 62.100 -0.086 0.000 1.028 231 T CB 3.025 71.826 68.868 -0.111 0.000 1.235 231 T HN 0.315 nan 8.240 nan 0.000 0.491 232 P HA -0.018 nan 4.420 nan 0.000 0.218 232 P C 0.282 177.434 177.300 -0.247 0.000 1.152 232 P CA 0.654 63.639 63.100 -0.191 0.000 0.826 232 P CB -0.103 31.540 31.700 -0.094 0.000 0.790 233 N N 0.924 119.503 118.700 -0.203 0.000 2.354 233 N HA 0.267 5.028 4.740 0.033 0.000 0.246 233 N C 0.806 176.127 175.510 -0.316 0.000 1.285 233 N CA 0.823 53.749 53.050 -0.207 0.000 0.925 233 N CB -0.004 38.403 38.487 -0.133 0.000 1.174 233 N HN 0.256 nan 8.380 nan 0.000 0.478 234 G N -0.769 107.854 108.800 -0.295 0.000 2.479 234 G HA2 -0.098 3.882 3.960 0.033 0.000 0.686 234 G HA3 -0.098 3.882 3.960 0.033 0.000 0.686 234 G C -2.215 172.443 174.900 -0.404 0.000 1.295 234 G CA -0.257 44.618 45.100 -0.374 0.000 0.922 234 G HN 0.511 nan 8.290 nan 0.000 0.582 235 P HA 0.083 nan 4.420 nan 0.000 0.225 235 P C 1.442 178.668 177.300 -0.123 0.000 1.156 235 P CA 2.176 65.131 63.100 -0.241 0.000 0.787 235 P CB -0.038 31.462 31.700 -0.334 0.000 0.802 236 W N -1.730 119.484 121.300 -0.142 0.000 2.873 236 W HA 0.573 5.252 4.660 0.033 0.000 0.282 236 W C 1.160 177.754 176.519 0.125 0.000 1.118 236 W CA 0.441 57.776 57.345 -0.017 0.000 1.480 236 W CB -0.749 28.728 29.460 0.028 0.000 0.954 236 W HN -0.171 nan 8.180 nan 0.000 0.591 237 A N 1.950 124.392 122.820 -0.630 0.000 2.119 237 A HA 0.136 4.476 4.320 0.033 0.000 0.216 237 A C 1.114 178.524 177.584 -0.290 0.000 1.152 237 A CA 1.807 53.539 52.037 -0.508 0.000 0.708 237 A CB -0.773 17.673 19.000 -0.923 0.000 0.805 237 A HN 0.237 nan 8.150 nan 0.000 0.460 238 T N -3.063 111.341 114.554 -0.250 0.000 2.883 238 T HA 0.608 4.978 4.350 0.033 0.000 0.301 238 T C -0.617 174.002 174.700 -0.136 0.000 1.158 238 T CA -0.116 61.859 62.100 -0.209 0.000 1.007 238 T CB 1.445 70.198 68.868 -0.191 0.000 1.186 238 T HN 0.848 nan 8.240 nan 0.000 0.499 239 V N -0.781 119.062 119.914 -0.117 0.000 3.074 239 V HA 0.930 5.070 4.120 0.033 0.000 0.314 239 V C 0.380 176.432 176.094 -0.070 0.000 1.117 239 V CA -0.796 61.453 62.300 -0.084 0.000 1.014 239 V CB 1.318 33.093 31.823 -0.080 0.000 1.057 239 V HN 1.364 nan 8.190 nan 0.000 0.438 240 S N 1.396 117.063 115.700 -0.055 0.000 2.624 240 S HA 0.621 5.111 4.470 0.033 0.000 0.263 240 S C 1.366 175.946 174.600 -0.033 0.000 1.287 240 S CA 0.060 58.235 58.200 -0.041 0.000 0.990 240 S CB 1.203 64.381 63.200 -0.036 0.000 0.950 240 S HN 1.876 nan 8.310 nan 0.000 0.561 241 A N 1.525 124.331 122.820 -0.023 0.000 1.902 241 A HA 0.118 4.458 4.320 0.033 0.000 0.217 241 A C 2.204 179.777 177.584 -0.018 0.000 1.181 241 A CA 1.757 53.784 52.037 -0.016 0.000 0.623 241 A CB -1.863 17.130 19.000 -0.010 0.000 0.818 241 A HN 1.155 nan 8.150 nan 0.000 0.443 242 G N -0.500 108.287 108.800 -0.021 0.000 2.418 242 G HA2 -0.246 3.734 3.960 0.033 0.000 0.217 242 G HA3 -0.246 3.734 3.960 0.033 0.000 0.217 242 G C 1.482 176.366 174.900 -0.027 0.000 1.158 242 G CA 1.386 46.473 45.100 -0.022 0.000 0.771 242 G HN 0.587 nan 8.290 nan 0.000 0.545 243 E N 0.793 120.972 120.200 -0.034 0.000 2.152 243 E HA 0.174 4.544 4.350 0.033 0.000 0.192 243 E C 2.596 179.164 176.600 -0.054 0.000 0.983 243 E CA 1.212 57.585 56.400 -0.046 0.000 0.818 243 E CB -0.434 29.235 29.700 -0.053 0.000 0.758 243 E HN 0.269 nan 8.360 nan 0.000 0.467 244 A N 0.975 123.771 122.820 -0.041 0.000 1.898 244 A HA -0.166 4.174 4.320 0.033 0.000 0.216 244 A C 2.284 179.868 177.584 -0.000 0.000 1.181 244 A CA 1.689 53.714 52.037 -0.021 0.000 0.620 244 A CB -0.605 18.397 19.000 0.004 0.000 0.819 244 A HN 0.274 nan 8.150 nan 0.000 0.442 245 R N -0.532 119.962 120.500 -0.010 0.000 2.081 245 R HA -0.137 4.224 4.340 0.033 0.000 0.235 245 R C 2.439 178.731 176.300 -0.013 0.000 1.131 245 R CA 1.595 57.688 56.100 -0.012 0.000 0.960 245 R CB -0.318 29.972 30.300 -0.017 0.000 0.856 245 R HN 0.512 nan 8.270 nan 0.000 0.436 246 R N 0.463 120.950 120.500 -0.021 0.000 2.073 246 R HA -0.129 4.232 4.340 0.033 0.000 0.234 246 R C 2.210 178.497 176.300 -0.021 0.000 1.134 246 R CA 1.794 57.881 56.100 -0.023 0.000 0.952 246 R CB -0.094 30.188 30.300 -0.031 0.000 0.850 246 R HN 0.280 nan 8.270 nan 0.000 0.433 247 R N -0.269 120.208 120.500 -0.039 0.000 2.075 247 R HA -0.034 4.326 4.340 0.033 0.000 0.232 247 R C 2.374 178.727 176.300 0.089 0.000 1.126 247 R CA 1.264 57.331 56.100 -0.054 0.000 0.963 247 R CB -0.342 29.802 30.300 -0.259 0.000 0.858 247 R HN 0.233 nan 8.270 nan 0.000 0.435 248 A N 0.577 123.480 122.820 0.138 0.000 1.902 248 A HA -0.157 4.183 4.320 0.033 0.000 0.217 248 A C 2.152 179.745 177.584 0.015 0.000 1.181 248 A CA 1.961 54.068 52.037 0.117 0.000 0.623 248 A CB -0.812 18.201 19.000 0.021 0.000 0.818 248 A HN 0.275 nan 8.150 nan 0.000 0.443 249 T N -0.048 114.506 114.554 0.000 0.000 2.821 249 T HA -0.104 4.266 4.350 0.033 0.000 0.267 249 T C 1.809 176.503 174.700 -0.010 0.000 1.046 249 T CA 1.449 63.539 62.100 -0.017 0.000 1.139 249 T CB -0.295 68.562 68.868 -0.018 0.000 0.871 249 T HN 0.335 nan 8.240 nan 0.000 0.454 250 L N 0.991 122.217 121.223 0.005 0.000 2.109 250 L HA 0.181 4.541 4.340 0.033 0.000 0.207 250 L C 2.110 178.988 176.870 0.013 0.000 1.086 250 L CA 1.355 56.199 54.840 0.006 0.000 0.760 250 L CB -0.876 41.190 42.059 0.011 0.000 0.910 250 L HN 0.173 nan 8.230 nan 0.000 0.437 251 L N -0.001 121.253 121.223 0.052 0.000 2.017 251 L HA -0.088 4.272 4.340 0.033 0.000 0.208 251 L C 2.566 179.423 176.870 -0.021 0.000 1.073 251 L CA 2.039 56.911 54.840 0.055 0.000 0.745 251 L CB -0.937 41.200 42.059 0.131 0.000 0.894 251 L HN 0.285 nan 8.230 nan 0.000 0.432 252 A N -0.126 122.674 122.820 -0.034 0.000 1.884 252 A HA -0.346 3.994 4.320 0.033 0.000 0.219 252 A C 2.540 180.094 177.584 -0.049 0.000 1.197 252 A CA 2.365 54.373 52.037 -0.048 0.000 0.637 252 A CB -0.878 18.090 19.000 -0.053 0.000 0.827 252 A HN 0.556 nan 8.150 nan 0.000 0.450 253 R N -0.456 120.016 120.500 -0.046 0.000 2.091 253 R HA -0.102 4.258 4.340 0.033 0.000 0.238 253 R C 2.035 178.281 176.300 -0.089 0.000 1.136 253 R CA 1.687 57.756 56.100 -0.052 0.000 0.959 253 R CB -0.426 29.851 30.300 -0.039 0.000 0.856 253 R HN 0.555 nan 8.270 nan 0.000 0.437 254 L N 0.704 121.845 121.223 -0.138 0.000 2.131 254 L HA -0.103 4.257 4.340 0.033 0.000 0.210 254 L C 1.875 178.513 176.870 -0.386 0.000 1.092 254 L CA 0.883 55.539 54.840 -0.306 0.000 0.759 254 L CB -0.098 41.714 42.059 -0.412 0.000 0.903 254 L HN 0.214 nan 8.230 nan 0.000 0.435 255 V N -3.398 116.393 119.914 -0.205 0.000 3.331 255 V HA 0.480 4.621 4.120 0.033 0.000 0.332 255 V C 1.213 177.293 176.094 -0.024 0.000 1.341 255 V CA 0.223 62.479 62.300 -0.072 0.000 1.218 255 V CB -0.497 31.336 31.823 0.017 0.000 1.152 255 V HN 0.473 nan 8.190 nan 0.000 0.445 256 G N -0.415 108.361 108.800 -0.040 0.000 2.148 256 G HA2 -0.267 3.713 3.960 0.033 0.000 0.254 256 G HA3 -0.267 3.713 3.960 0.033 0.000 0.254 256 G C 0.177 175.071 174.900 -0.010 0.000 0.981 256 G CA 0.119 45.209 45.100 -0.016 0.000 0.670 256 G HN 0.711 nan 8.290 nan 0.000 0.528 257 c N 1.883 120.474 118.600 -0.016 0.000 2.330 257 c HA 0.711 5.301 4.570 0.033 0.000 0.344 257 c C -0.942 173.137 174.090 -0.017 0.000 1.273 257 c CA -1.098 55.225 56.329 -0.011 0.000 1.879 257 c CB 1.218 43.722 42.510 -0.011 0.000 2.376 257 c HN 0.486 nan 8.230 nan 0.000 0.534 266 D N 1.047 121.439 120.400 -0.014 0.000 2.104 266 D HA -0.120 4.540 4.640 0.033 0.000 0.194 266 D C 1.128 177.420 176.300 -0.015 0.000 0.994 266 D CA 1.892 55.879 54.000 -0.021 0.000 0.830 266 D CB -0.048 40.740 40.800 -0.021 0.000 0.959 266 D HN 0.675 nan 8.370 nan 0.000 0.452 267 T N 0.721 115.272 114.554 -0.004 0.000 2.653 267 T HA -0.226 4.144 4.350 0.033 0.000 0.268 267 T C 1.814 176.519 174.700 0.008 0.000 1.035 267 T CA 1.644 63.747 62.100 0.006 0.000 1.154 267 T CB -0.234 68.639 68.868 0.008 0.000 0.862 267 T HN 0.301 nan 8.240 nan 0.000 0.441 268 E N 0.181 120.383 120.200 0.003 0.000 2.072 268 E HA -0.061 4.310 4.350 0.033 0.000 0.191 268 E C 2.208 178.809 176.600 0.002 0.000 0.985 268 E CA 0.686 57.089 56.400 0.004 0.000 0.801 268 E CB -0.159 29.542 29.700 0.001 0.000 0.750 268 E HN 0.436 nan 8.360 nan 0.000 0.452 269 L N 0.502 121.719 121.223 -0.010 0.000 2.027 269 L HA -0.127 4.233 4.340 0.033 0.000 0.206 269 L C 2.209 179.065 176.870 -0.023 0.000 1.074 269 L CA 1.083 55.910 54.840 -0.022 0.000 0.745 269 L CB -0.106 41.929 42.059 -0.040 0.000 0.898 269 L HN 0.168 nan 8.230 nan 0.000 0.433 270 I N 0.061 120.617 120.570 -0.024 0.000 2.226 270 I HA -0.271 3.919 4.170 0.033 0.000 0.245 270 I C 2.776 178.947 176.117 0.090 0.000 1.100 270 I CA 1.112 62.411 61.300 -0.001 0.000 1.374 270 I CB -0.622 37.381 38.000 0.005 0.000 1.057 270 I HN 0.337 nan 8.210 nan 0.000 0.413 271 A N -0.181 122.676 122.820 0.061 0.000 1.917 271 A HA -0.328 4.012 4.320 0.033 0.000 0.219 271 A C 2.543 180.164 177.584 0.061 0.000 1.182 271 A CA 2.180 54.254 52.037 0.061 0.000 0.633 271 A CB -1.442 17.581 19.000 0.037 0.000 0.819 271 A HN 0.643 nan 8.150 nan 0.000 0.448 272 c N -0.690 117.937 118.600 0.045 0.000 2.446 272 c HA 0.041 4.631 4.570 0.033 0.000 0.277 272 c C 2.587 176.714 174.090 0.061 0.000 1.275 272 c CA 0.997 57.350 56.329 0.039 0.000 1.727 272 c CB -1.593 40.929 42.510 0.021 0.000 2.010 272 c HN 0.585 nan 8.230 nan 0.000 0.486 273 L N 0.379 121.652 121.223 0.084 0.000 2.127 273 L HA -0.126 4.235 4.340 0.033 0.000 0.211 273 L C 2.972 179.969 176.870 0.212 0.000 1.089 273 L CA 1.523 56.449 54.840 0.143 0.000 0.757 273 L CB -0.608 41.528 42.059 0.129 0.000 0.899 273 L HN 0.363 nan 8.230 nan 0.000 0.434 274 R N -0.646 119.976 120.500 0.203 0.000 2.189 274 R HA -0.099 4.261 4.340 0.033 0.000 0.218 274 R C 2.160 178.479 176.300 0.030 0.000 1.074 274 R CA 1.599 57.749 56.100 0.085 0.000 0.991 274 R CB -0.328 30.012 30.300 0.067 0.000 0.883 274 R HN 0.497 nan 8.270 nan 0.000 0.457 275 T N -1.538 113.042 114.554 0.043 0.000 3.088 275 T HA 0.085 4.455 4.350 0.033 0.000 0.259 275 T C 0.926 175.640 174.700 0.024 0.000 1.122 275 T CA 0.060 62.175 62.100 0.025 0.000 1.095 275 T CB 0.142 69.025 68.868 0.026 0.000 0.930 275 T HN -0.134 nan 8.240 nan 0.000 0.508 276 R N 2.629 123.151 120.500 0.037 0.000 2.308 276 R HA 0.397 4.757 4.340 0.033 0.000 0.305 276 R C -2.674 173.640 176.300 0.024 0.000 1.053 276 R CA -2.571 53.553 56.100 0.039 0.000 0.957 276 R CB 0.230 30.565 30.300 0.057 0.000 1.022 276 R HN 0.243 nan 8.270 nan 0.000 0.461 277 P HA -0.091 nan 4.420 nan 0.000 0.264 277 P C 0.371 177.657 177.300 -0.024 0.000 1.179 277 P CA 0.355 63.444 63.100 -0.018 0.000 0.763 277 P CB 0.553 32.250 31.700 -0.004 0.000 0.806 278 A N 2.867 125.604 122.820 -0.137 0.000 1.892 278 A HA -0.286 4.054 4.320 0.033 0.000 0.218 278 A C 2.127 179.666 177.584 -0.074 0.000 1.188 278 A CA 2.034 53.964 52.037 -0.179 0.000 0.631 278 A CB -1.232 17.177 19.000 -0.985 0.000 0.822 278 A HN 0.546 nan 8.150 nan 0.000 0.447 279 Q N -0.046 119.687 119.800 -0.111 0.000 2.291 279 Q HA -0.131 4.229 4.340 0.033 0.000 0.205 279 Q C 1.127 177.216 176.000 0.149 0.000 0.970 279 Q CA 1.828 57.728 55.803 0.161 0.000 0.876 279 Q CB -0.414 28.443 28.738 0.199 0.000 0.935 279 Q HN 0.651 nan 8.270 nan 0.000 0.455 280 D N -0.902 119.560 120.400 0.103 0.000 2.178 280 D HA -0.126 4.534 4.640 0.033 0.000 0.201 280 D C 1.300 177.695 176.300 0.158 0.000 0.980 280 D CA 0.677 54.753 54.000 0.127 0.000 0.842 280 D CB 0.030 40.898 40.800 0.114 0.000 0.948 280 D HN 0.211 nan 8.370 nan 0.000 0.472 281 L N 0.053 121.343 121.223 0.112 0.000 2.023 281 L HA -0.083 4.277 4.340 0.033 0.000 0.205 281 L C 2.447 179.359 176.870 0.070 0.000 1.073 281 L CA 0.928 55.793 54.840 0.042 0.000 0.745 281 L CB -0.910 41.064 42.059 -0.142 0.000 0.900 281 L HN -0.035 nan 8.230 nan 0.000 0.435 282 V N -0.175 119.842 119.914 0.171 0.000 2.392 282 V HA -0.312 3.828 4.120 0.033 0.000 0.249 282 V C 2.178 178.375 176.094 0.172 0.000 1.059 282 V CA 1.721 64.166 62.300 0.241 0.000 1.051 282 V CB -0.642 31.454 31.823 0.455 0.000 0.658 282 V HN 0.401 nan 8.190 nan 0.000 0.455 283 D N -0.904 119.567 120.400 0.119 0.000 2.190 283 D HA -0.151 4.509 4.640 0.033 0.000 0.200 283 D C 1.739 177.914 176.300 -0.209 0.000 0.992 283 D CA 1.334 55.315 54.000 -0.032 0.000 0.854 283 D CB -0.207 40.517 40.800 -0.128 0.000 0.936 283 D HN 0.532 nan 8.370 nan 0.000 0.462 284 H N -0.574 118.534 119.070 0.063 0.000 2.528 284 H HA 0.174 4.750 4.556 0.033 0.000 0.282 284 H C 1.261 176.545 175.328 -0.073 0.000 1.097 284 H CA -0.093 55.983 56.048 0.046 0.000 1.121 284 H CB 0.618 30.475 29.762 0.159 0.000 1.590 284 H HN 0.298 nan 8.280 nan 0.000 0.553 285 E N 0.248 120.383 120.200 -0.108 0.000 2.106 285 E HA -0.137 4.233 4.350 0.033 0.000 0.192 285 E C 0.407 176.677 176.600 -0.550 0.000 0.984 285 E CA 0.741 56.966 56.400 -0.292 0.000 0.806 285 E CB 0.205 29.589 29.700 -0.526 0.000 0.750 285 E HN 0.440 nan 8.360 nan 0.000 0.458 286 W N -0.198 120.985 121.300 -0.196 0.000 3.269 286 W HA 0.124 4.804 4.660 0.034 0.000 0.413 286 W C 0.676 177.116 176.519 -0.132 0.000 1.057 286 W CA -0.533 56.681 57.345 -0.219 0.000 1.953 286 W CB 0.512 29.789 29.460 -0.304 0.000 1.053 286 W HN 0.105 nan 8.180 nan 0.000 0.753 287 H N -0.580 118.592 119.070 0.169 0.000 2.784 287 H HA 0.118 4.694 4.556 0.033 0.000 0.273 287 H C 1.776 177.149 175.328 0.074 0.000 1.112 287 H CA 0.276 56.410 56.048 0.143 0.000 1.162 287 H CB -0.183 29.692 29.762 0.188 0.000 1.586 287 H HN 0.212 nan 8.280 nan 0.000 0.548 288 V N -2.275 117.705 119.914 0.110 0.000 3.643 288 V HA 0.262 4.402 4.120 0.033 0.000 0.280 288 V C 0.883 176.953 176.094 -0.040 0.000 1.351 288 V CA -0.099 62.207 62.300 0.010 0.000 1.073 288 V CB 0.037 31.816 31.823 -0.074 0.000 0.863 288 V HN -0.020 nan 8.190 nan 0.000 0.436 289 L N 2.476 123.697 121.223 -0.004 0.000 2.456 289 L HA 0.229 4.589 4.340 0.033 0.000 0.272 289 L C -0.327 176.548 176.870 0.009 0.000 1.189 289 L CA -0.924 53.913 54.840 -0.006 0.000 0.846 289 L CB 0.792 42.880 42.059 0.050 0.000 1.111 289 L HN 0.148 nan 8.230 nan 0.000 0.475 290 P HA -0.060 nan 4.420 nan 0.000 0.225 290 P C 0.005 177.310 177.300 0.008 0.000 1.156 290 P CA 0.913 64.011 63.100 -0.004 0.000 0.787 290 P CB 0.524 32.215 31.700 -0.015 0.000 0.802 291 Q N -1.038 118.769 119.800 0.012 0.000 2.495 291 Q HA 0.299 4.659 4.340 0.033 0.000 0.287 291 Q C -0.826 175.188 176.000 0.024 0.000 1.078 291 Q CA -0.709 55.103 55.803 0.015 0.000 0.793 291 Q CB 2.017 30.759 28.738 0.008 0.000 1.459 291 Q HN -0.071 nan 8.270 nan 0.000 0.422 292 E N 1.075 121.290 120.200 0.024 0.000 2.292 292 E HA 0.293 4.663 4.350 0.033 0.000 0.265 292 E C -1.124 175.483 176.600 0.013 0.000 1.093 292 E CA 0.063 56.478 56.400 0.025 0.000 0.922 292 E CB 0.151 29.867 29.700 0.027 0.000 1.001 292 E HN 0.550 nan 8.360 nan 0.000 0.444 293 S N 4.225 119.927 115.700 0.003 0.000 2.607 293 S HA 0.695 5.185 4.470 0.033 0.000 0.273 293 S C -0.276 174.304 174.600 -0.034 0.000 1.148 293 S CA -1.063 57.128 58.200 -0.014 0.000 0.833 293 S CB 1.091 64.276 63.200 -0.025 0.000 1.130 293 S HN 0.535 nan 8.310 nan 0.000 0.470 294 I N -2.771 117.777 120.570 -0.036 0.000 3.002 294 I HA 0.770 4.960 4.170 0.033 0.000 0.310 294 I C -0.424 175.629 176.117 -0.107 0.000 1.087 294 I CA -1.201 60.072 61.300 -0.044 0.000 1.017 294 I CB 1.266 39.298 38.000 0.054 0.000 1.226 294 I HN 0.762 nan 8.210 nan 0.000 0.443 295 F N 1.534 121.230 119.950 -0.423 0.000 3.074 295 F HA -0.200 4.347 4.527 0.033 0.000 0.287 295 F C -0.177 175.014 175.800 -1.015 0.000 0.932 295 F CA 0.791 58.281 58.000 -0.850 0.000 0.995 295 F CB -0.805 37.629 39.000 -0.944 0.000 0.966 295 F HN 0.731 nan 8.300 nan 0.000 0.721 296 R N 0.656 120.601 120.500 -0.926 0.000 2.564 296 R HA 0.694 5.054 4.340 0.033 0.000 0.284 296 R C -1.612 174.303 176.300 -0.641 0.000 1.031 296 R CA -0.410 55.271 56.100 -0.698 0.000 0.904 296 R CB 1.062 31.225 30.300 -0.228 0.000 1.199 296 R HN -0.022 nan 8.270 nan 0.000 0.443 297 F N 1.225 121.327 119.950 0.253 0.000 2.547 297 F HA 0.363 4.910 4.527 0.033 0.000 0.316 297 F C 1.111 176.931 175.800 0.032 0.000 1.121 297 F CA -0.895 57.274 58.000 0.280 0.000 0.911 297 F CB 2.331 41.575 39.000 0.407 0.000 1.179 297 F HN 0.461 nan 8.300 nan 0.000 0.443 298 S N 1.160 116.814 115.700 -0.078 0.000 2.356 298 S HA -0.053 4.437 4.470 0.033 0.000 0.223 298 S C 0.078 174.242 174.600 -0.728 0.000 1.032 298 S CA 1.243 59.149 58.200 -0.490 0.000 1.005 298 S CB -0.219 62.532 63.200 -0.749 0.000 0.867 298 S HN 0.359 nan 8.310 nan 0.000 0.449 299 F N 1.502 121.458 119.950 0.010 0.000 2.382 299 F HA 0.570 5.117 4.527 0.034 0.000 0.361 299 F C -0.025 175.809 175.800 0.056 0.000 1.109 299 F CA -0.970 57.068 58.000 0.064 0.000 1.031 299 F CB 1.382 40.438 39.000 0.092 0.000 1.234 299 F HN -0.093 nan 8.300 nan 0.000 0.445 300 V N 0.935 120.837 119.914 -0.020 0.000 3.181 300 V HA 0.758 4.899 4.120 0.033 0.000 0.308 300 V C -2.936 172.814 176.094 -0.572 0.000 1.214 300 V CA -3.284 58.684 62.300 -0.554 0.000 1.053 300 V CB 2.046 33.713 31.823 -0.260 0.000 1.069 300 V HN 0.268 nan 8.190 nan 0.000 0.441 301 P HA 0.160 nan 4.420 nan 0.000 0.264 301 P C -0.742 176.424 177.300 -0.224 0.000 1.179 301 P CA 0.464 63.292 63.100 -0.453 0.000 0.763 301 P CB 0.563 31.904 31.700 -0.598 0.000 0.806 302 V N 4.455 124.310 119.914 -0.098 0.000 2.628 302 V HA 0.259 4.399 4.120 0.033 0.000 0.306 302 V C -0.403 175.667 176.094 -0.040 0.000 1.045 302 V CA -0.916 61.349 62.300 -0.058 0.000 0.905 302 V CB 2.236 34.053 31.823 -0.010 0.000 0.997 302 V HN 0.129 nan 8.190 nan 0.000 0.436 303 V N 7.203 127.095 119.914 -0.037 0.000 2.341 303 V HA 0.174 4.314 4.120 0.033 0.000 0.248 303 V C 0.811 176.907 176.094 0.003 0.000 1.107 303 V CA 0.357 62.649 62.300 -0.014 0.000 1.069 303 V CB 0.088 31.896 31.823 -0.024 0.000 1.177 303 V HN 1.058 nan 8.190 nan 0.000 0.492 304 D N 2.605 123.021 120.400 0.025 0.000 2.354 304 D HA 0.103 4.763 4.640 0.033 0.000 0.209 304 D C 1.510 177.830 176.300 0.034 0.000 1.015 304 D CA 0.698 54.717 54.000 0.031 0.000 0.867 304 D CB 0.284 41.114 40.800 0.049 0.000 0.933 304 D HN 0.674 nan 8.370 nan 0.000 0.520 305 G N 0.751 109.572 108.800 0.036 0.000 2.176 305 G HA2 -0.293 3.687 3.960 0.033 0.000 0.252 305 G HA3 -0.293 3.687 3.960 0.033 0.000 0.252 305 G C 0.213 175.134 174.900 0.035 0.000 1.024 305 G CA 0.710 45.827 45.100 0.028 0.000 0.755 305 G HN 0.563 nan 8.290 nan 0.000 0.507 306 D N -1.887 118.550 120.400 0.062 0.000 2.912 306 D HA 0.187 4.847 4.640 0.033 0.000 0.170 306 D C 1.613 177.964 176.300 0.085 0.000 1.484 306 D CA 0.493 54.532 54.000 0.066 0.000 1.542 306 D CB -0.717 40.131 40.800 0.080 0.000 1.344 306 D HN 0.098 nan 8.370 nan 0.000 0.222 307 F N 1.516 121.469 119.950 0.006 0.000 2.069 307 F HA 0.177 4.724 4.527 0.033 0.000 0.298 307 F C 0.637 176.433 175.800 -0.006 0.000 1.113 307 F CA 1.287 59.289 58.000 0.004 0.000 1.214 307 F CB 0.071 39.071 39.000 -0.001 0.000 0.978 307 F HN -0.000 nan 8.300 nan 0.000 0.474 308 L N 1.115 122.510 121.223 0.287 0.000 2.272 308 L HA 0.182 4.542 4.340 0.033 0.000 0.284 308 L C 1.442 178.354 176.870 0.071 0.000 1.045 308 L CA -0.153 54.779 54.840 0.153 0.000 0.842 308 L CB 1.106 43.239 42.059 0.123 0.000 1.224 308 L HN 0.135 nan 8.230 nan 0.000 0.430 309 S N 0.481 116.201 115.700 0.034 0.000 2.419 309 S HA -0.058 4.433 4.470 0.033 0.000 0.233 309 S C 0.515 175.122 174.600 0.011 0.000 1.016 309 S CA 0.623 58.831 58.200 0.014 0.000 0.974 309 S CB 0.139 63.336 63.200 -0.004 0.000 0.786 309 S HN 0.701 nan 8.310 nan 0.000 0.492 310 D N 0.231 120.638 120.400 0.013 0.000 2.752 310 D HA 0.335 4.995 4.640 0.033 0.000 0.313 310 D C -0.730 175.572 176.300 0.003 0.000 1.225 310 D CA -0.020 53.982 54.000 0.005 0.000 0.976 310 D CB 1.473 42.273 40.800 -0.000 0.000 1.443 310 D HN 0.223 nan 8.370 nan 0.000 0.515 311 T N -0.991 113.558 114.554 -0.008 0.000 2.932 311 T HA 0.209 4.579 4.350 0.033 0.000 0.312 311 T C -1.806 172.886 174.700 -0.014 0.000 1.071 311 T CA -0.678 61.410 62.100 -0.020 0.000 1.128 311 T CB 0.937 69.786 68.868 -0.030 0.000 0.984 311 T HN 0.111 nan 8.240 nan 0.000 0.549 312 P HA -0.101 nan 4.420 nan 0.000 0.217 312 P C 1.444 178.737 177.300 -0.012 0.000 1.148 312 P CA 1.128 64.215 63.100 -0.021 0.000 0.828 312 P CB 0.088 31.748 31.700 -0.067 0.000 0.783 313 E N -0.125 120.058 120.200 -0.028 0.000 2.031 313 E HA -0.208 4.162 4.350 0.033 0.000 0.193 313 E C 1.976 178.581 176.600 0.007 0.000 0.994 313 E CA 1.377 57.767 56.400 -0.016 0.000 0.800 313 E CB -0.637 29.047 29.700 -0.028 0.000 0.752 313 E HN 0.060 nan 8.360 nan 0.000 0.447 314 A N 1.087 123.909 122.820 0.002 0.000 1.908 314 A HA -0.171 4.169 4.320 0.033 0.000 0.218 314 A C 2.258 179.855 177.584 0.022 0.000 1.181 314 A CA 1.415 53.457 52.037 0.008 0.000 0.627 314 A CB -0.737 18.263 19.000 -0.001 0.000 0.818 314 A HN 0.347 nan 8.150 nan 0.000 0.445 315 L N -0.109 121.134 121.223 0.033 0.000 2.056 315 L HA -0.153 4.207 4.340 0.033 0.000 0.207 315 L C 2.626 179.573 176.870 0.128 0.000 1.078 315 L CA 1.597 56.472 54.840 0.059 0.000 0.749 315 L CB -0.644 41.455 42.059 0.066 0.000 0.901 315 L HN 0.687 nan 8.230 nan 0.000 0.433 316 I N -2.595 118.061 120.570 0.143 0.000 2.546 316 I HA -0.159 4.031 4.170 0.033 0.000 0.255 316 I C 1.889 178.131 176.117 0.208 0.000 1.163 316 I CA 1.355 62.794 61.300 0.232 0.000 1.457 316 I CB -0.412 37.652 38.000 0.107 0.000 1.092 316 I HN 0.208 nan 8.210 nan 0.000 0.434 317 N N 1.432 120.195 118.700 0.105 0.000 2.300 317 N HA -0.087 4.673 4.740 0.033 0.000 0.179 317 N C 1.797 177.335 175.510 0.047 0.000 1.016 317 N CA 2.011 55.105 53.050 0.074 0.000 0.876 317 N CB -0.342 38.169 38.487 0.040 0.000 0.979 317 N HN 0.655 nan 8.380 nan 0.000 0.432 318 T N -3.372 111.193 114.554 0.019 0.000 3.054 318 T HA 0.313 4.683 4.350 0.033 0.000 0.255 318 T C 0.952 175.582 174.700 -0.115 0.000 1.035 318 T CA -0.473 61.607 62.100 -0.033 0.000 0.941 318 T CB 0.024 68.872 68.868 -0.032 0.000 1.026 318 T HN 0.041 nan 8.240 nan 0.000 0.533 319 G N 0.852 109.544 108.800 -0.180 0.000 2.503 319 G HA2 0.425 4.405 3.960 0.033 0.000 0.257 319 G HA3 0.425 4.405 3.960 0.033 0.000 0.257 319 G C -1.135 173.302 174.900 -0.771 0.000 1.214 319 G CA -0.407 44.348 45.100 -0.575 0.000 0.839 319 G HN 0.288 nan 8.290 nan 0.000 0.559 320 D N 0.354 120.299 120.400 -0.759 0.000 2.303 320 D HA 0.401 5.061 4.640 0.033 0.000 0.236 320 D C -0.433 175.505 176.300 -0.603 0.000 1.068 320 D CA -0.719 52.975 54.000 -0.510 0.000 0.830 320 D CB 0.928 41.577 40.800 -0.251 0.000 1.109 320 D HN 0.093 nan 8.370 nan 0.000 0.496 321 F N 1.948 121.902 119.950 0.007 0.000 2.764 321 F HA 0.081 4.628 4.527 0.034 0.000 0.310 321 F C 2.137 177.944 175.800 0.012 0.000 1.124 321 F CA -0.384 57.624 58.000 0.013 0.000 1.252 321 F CB 0.083 39.100 39.000 0.028 0.000 1.010 321 F HN 0.427 nan 8.300 nan 0.000 0.518 322 Q N -0.144 119.719 119.800 0.106 0.000 2.096 322 Q HA -0.235 4.125 4.340 0.033 0.000 0.208 322 Q C -0.164 175.877 176.000 0.067 0.000 0.993 322 Q CA 2.127 57.974 55.803 0.074 0.000 0.862 322 Q CB -0.571 28.193 28.738 0.043 0.000 0.915 322 Q HN 0.235 nan 8.270 nan 0.000 0.416 323 D N 0.643 121.076 120.400 0.054 0.000 3.071 323 D HA 0.359 5.019 4.640 0.033 0.000 0.259 323 D C -1.185 175.147 176.300 0.053 0.000 1.331 323 D CA -0.149 53.875 54.000 0.040 0.000 0.861 323 D CB 0.250 41.058 40.800 0.014 0.000 1.059 323 D HN 0.091 nan 8.370 nan 0.000 0.486 324 L N 0.591 121.870 121.223 0.093 0.000 2.381 324 L HA 0.495 4.855 4.340 0.033 0.000 0.268 324 L C -1.235 175.707 176.870 0.120 0.000 0.997 324 L CA -0.527 54.380 54.840 0.112 0.000 0.818 324 L CB 2.000 44.159 42.059 0.167 0.000 1.310 324 L HN -0.186 nan 8.230 nan 0.000 0.416 325 Q N 3.115 122.999 119.800 0.141 0.000 2.340 325 Q HA 0.768 5.128 4.340 0.033 0.000 0.268 325 Q C -1.496 174.730 176.000 0.377 0.000 1.031 325 Q CA -0.469 55.466 55.803 0.220 0.000 0.804 325 Q CB 2.627 31.442 28.738 0.129 0.000 1.286 325 Q HN 0.459 nan 8.270 nan 0.000 0.448 326 V N 2.424 122.537 119.914 0.332 0.000 2.656 326 V HA 0.497 4.638 4.120 0.033 0.000 0.307 326 V C -1.272 174.811 176.094 -0.018 0.000 1.051 326 V CA -0.907 61.516 62.300 0.206 0.000 0.893 326 V CB 1.833 33.684 31.823 0.046 0.000 0.999 326 V HN 0.608 nan 8.190 nan 0.000 0.426 327 L N 6.565 127.553 121.223 -0.392 0.000 2.287 327 L HA 0.844 5.204 4.340 0.033 0.000 0.287 327 L C -0.320 176.432 176.870 -0.196 0.000 1.022 327 L CA -0.045 54.460 54.840 -0.558 0.000 0.814 327 L CB 1.521 42.781 42.059 -1.332 0.000 1.217 327 L HN 0.659 nan 8.230 nan 0.000 0.420 328 V N 2.294 122.168 119.914 -0.067 0.000 2.914 328 V HA 1.134 5.274 4.120 0.033 0.000 0.314 328 V C -0.194 175.728 176.094 -0.287 0.000 1.084 328 V CA 0.211 62.463 62.300 -0.081 0.000 0.963 328 V CB 1.279 33.016 31.823 -0.145 0.000 1.025 328 V HN 1.015 nan 8.190 nan 0.000 0.432 329 G N 0.825 109.320 108.800 -0.507 0.000 2.488 329 G HA2 0.761 4.741 3.960 0.033 0.000 0.301 329 G HA3 0.761 4.741 3.960 0.033 0.000 0.301 329 G C -1.181 173.429 174.900 -0.483 0.000 1.339 329 G CA 0.069 44.502 45.100 -1.111 0.000 0.803 329 G HN 2.085 nan 8.290 nan 0.000 0.482 330 V N -2.244 117.485 119.914 -0.308 0.000 3.114 330 V HA 0.908 5.048 4.120 0.033 0.000 0.308 330 V C 0.368 176.631 176.094 0.281 0.000 1.168 330 V CA -0.412 61.925 62.300 0.061 0.000 1.015 330 V CB 1.082 32.928 31.823 0.038 0.000 1.050 330 V HN 1.838 nan 8.190 nan 0.000 0.433 331 V N 0.088 120.199 119.914 0.328 0.000 3.134 331 V HA 0.548 4.688 4.120 0.033 0.000 0.313 331 V C 1.413 177.703 176.094 0.327 0.000 1.069 331 V CA 0.133 62.687 62.300 0.424 0.000 1.048 331 V CB 1.097 33.167 31.823 0.412 0.000 1.119 331 V HN 1.082 nan 8.190 nan 0.000 0.461 332 K N -0.349 120.242 120.400 0.318 0.000 2.148 332 K HA -0.027 4.313 4.320 0.033 0.000 0.204 332 K C 0.391 177.117 176.600 0.210 0.000 1.050 332 K CA 1.698 58.122 56.287 0.229 0.000 0.942 332 K CB 0.095 32.704 32.500 0.182 0.000 0.724 332 K HN 0.907 nan 8.250 nan 0.000 0.446 333 D N 1.004 121.541 120.400 0.228 0.000 2.607 333 D HA 0.027 4.687 4.640 0.033 0.000 0.318 333 D C 0.030 176.479 176.300 0.249 0.000 1.212 333 D CA -0.064 54.062 54.000 0.211 0.000 0.861 333 D CB 1.308 42.210 40.800 0.170 0.000 1.064 333 D HN 0.125 nan 8.370 nan 0.000 0.500 334 E N 0.549 120.909 120.200 0.267 0.000 2.118 334 E HA -0.124 4.246 4.350 0.033 0.000 0.195 334 E C 1.973 178.781 176.600 0.347 0.000 0.992 334 E CA 0.757 57.356 56.400 0.332 0.000 0.804 334 E CB 0.134 29.994 29.700 0.267 0.000 0.741 334 E HN 0.441 nan 8.360 nan 0.000 0.458 335 G N 0.941 109.902 108.800 0.269 0.000 2.551 335 G HA2 -0.163 3.817 3.960 0.033 0.000 0.216 335 G HA3 -0.163 3.817 3.960 0.033 0.000 0.216 335 G C 1.738 176.833 174.900 0.325 0.000 1.137 335 G CA 0.836 46.107 45.100 0.286 0.000 0.798 335 G HN 0.365 nan 8.290 nan 0.000 0.536 336 S N 0.113 115.962 115.700 0.248 0.000 2.359 336 S HA -0.252 4.238 4.470 0.033 0.000 0.224 336 S C 2.098 176.725 174.600 0.045 0.000 1.035 336 S CA 1.320 59.624 58.200 0.174 0.000 1.018 336 S CB -0.886 62.340 63.200 0.043 0.000 0.876 336 S HN 0.422 nan 8.310 nan 0.000 0.448 337 Y N 1.596 121.782 120.300 -0.189 0.000 2.139 337 Y HA -0.204 4.366 4.550 0.033 0.000 0.282 337 Y C 1.805 177.526 175.900 -0.298 0.000 1.179 337 Y CA 1.987 59.809 58.100 -0.464 0.000 1.161 337 Y CB -0.448 37.639 38.460 -0.622 0.000 0.970 337 Y HN 0.286 nan 8.280 nan 0.000 0.511 338 F N -0.875 119.185 119.950 0.185 0.000 2.661 338 F HA -0.088 4.458 4.527 0.033 0.000 0.298 338 F C 1.771 177.644 175.800 0.121 0.000 1.137 338 F CA 0.593 58.681 58.000 0.147 0.000 1.454 338 F CB -0.296 38.698 39.000 -0.010 0.000 1.103 338 F HN 0.034 nan 8.300 nan 0.000 0.577 339 L N -0.311 121.010 121.223 0.163 0.000 2.179 339 L HA -0.085 4.275 4.340 0.033 0.000 0.208 339 L C 2.302 179.193 176.870 0.035 0.000 1.096 339 L CA 0.645 55.430 54.840 -0.091 0.000 0.779 339 L CB -0.620 41.136 42.059 -0.504 0.000 0.922 339 L HN 0.127 nan 8.230 nan 0.000 0.443 340 V N -4.740 115.262 119.914 0.145 0.000 3.510 340 V HA -0.163 3.977 4.120 0.033 0.000 0.270 340 V C 1.102 177.150 176.094 -0.077 0.000 1.201 340 V CA 0.868 63.237 62.300 0.115 0.000 1.166 340 V CB -1.221 30.668 31.823 0.109 0.000 0.825 340 V HN 0.324 nan 8.190 nan 0.000 0.484 341 Y N 1.332 121.672 120.300 0.066 0.000 2.708 341 Y HA 0.685 5.255 4.550 0.033 0.000 0.287 341 Y C 1.616 177.514 175.900 -0.003 0.000 1.145 341 Y CA 0.295 58.404 58.100 0.016 0.000 1.249 341 Y CB 0.860 39.324 38.460 0.005 0.000 1.152 341 Y HN 0.367 nan 8.280 nan 0.000 0.532 342 G N -1.379 107.496 108.800 0.123 0.000 3.751 342 G HA2 -0.101 3.879 3.960 0.033 0.000 0.216 342 G HA3 -0.101 3.879 3.960 0.033 0.000 0.216 342 G C -0.636 174.319 174.900 0.092 0.000 0.911 342 G CA -0.462 44.690 45.100 0.087 0.000 0.869 342 G HN -0.069 nan 8.290 nan 0.000 0.462 343 V N 3.638 123.618 119.914 0.111 0.000 2.427 343 V HA 0.379 4.519 4.120 0.033 0.000 0.268 343 V C -1.880 174.389 176.094 0.292 0.000 1.046 343 V CA -1.299 61.101 62.300 0.167 0.000 0.970 343 V CB 0.996 32.865 31.823 0.078 0.000 1.001 343 V HN 0.100 nan 8.190 nan 0.000 0.476 344 P HA 0.255 nan 4.420 nan 0.000 0.266 344 P C 1.024 178.416 177.300 0.153 0.000 1.195 344 P CA 1.221 64.413 63.100 0.152 0.000 0.768 344 P CB 0.691 32.445 31.700 0.090 0.000 0.838 345 G N 0.863 109.686 108.800 0.038 0.000 2.232 345 G HA2 -0.209 3.771 3.960 0.033 0.000 0.226 345 G HA3 -0.209 3.771 3.960 0.033 0.000 0.226 345 G C -0.161 174.536 174.900 -0.338 0.000 0.996 345 G CA -0.571 44.423 45.100 -0.175 0.000 0.626 345 G HN 0.400 nan 8.290 nan 0.000 0.509 346 F N 1.305 121.251 119.950 -0.007 0.000 2.425 346 F HA 0.816 5.363 4.527 0.033 0.000 0.331 346 F C 0.619 176.481 175.800 0.104 0.000 1.085 346 F CA -0.095 57.913 58.000 0.014 0.000 1.028 346 F CB 2.310 41.359 39.000 0.082 0.000 1.177 346 F HN 0.184 nan 8.300 nan 0.000 0.487 347 S N 0.957 116.879 115.700 0.370 0.000 2.543 347 S HA 0.232 4.722 4.470 0.033 0.000 0.274 347 S C 0.205 175.081 174.600 0.459 0.000 1.149 347 S CA -0.851 57.555 58.200 0.343 0.000 0.866 347 S CB 1.260 64.571 63.200 0.185 0.000 1.111 347 S HN 0.764 nan 8.310 nan 0.000 0.457 348 K N 1.336 121.917 120.400 0.300 0.000 2.288 348 K HA 0.053 4.393 4.320 0.033 0.000 0.201 348 K C 0.208 176.830 176.600 0.037 0.000 1.048 348 K CA 1.429 57.800 56.287 0.139 0.000 0.956 348 K CB -0.149 32.224 32.500 -0.212 0.000 0.746 348 K HN 0.452 nan 8.250 nan 0.000 0.461 349 D N 0.992 121.389 120.400 -0.005 0.000 2.340 349 D HA 0.002 4.662 4.640 0.033 0.000 0.220 349 D C -0.186 176.131 176.300 0.028 0.000 1.039 349 D CA 0.330 54.301 54.000 -0.049 0.000 0.866 349 D CB 0.057 40.806 40.800 -0.086 0.000 0.913 349 D HN 0.486 nan 8.370 nan 0.000 0.523 350 N N -1.164 117.596 118.700 0.100 0.000 3.102 350 N HA 0.103 4.863 4.740 0.033 0.000 0.299 350 N C 0.259 175.829 175.510 0.099 0.000 1.482 350 N CA -0.590 52.498 53.050 0.063 0.000 0.785 350 N CB 0.775 39.255 38.487 -0.010 0.000 1.680 350 N HN -0.342 nan 8.380 nan 0.000 0.594 351 E N -0.464 119.716 120.200 -0.033 0.000 2.502 351 E HA 0.047 4.417 4.350 0.033 0.000 0.194 351 E C -0.532 175.723 176.600 -0.576 0.000 1.062 351 E CA 0.258 56.566 56.400 -0.154 0.000 0.867 351 E CB -0.304 29.345 29.700 -0.085 0.000 0.888 351 E HN 0.580 nan 8.360 nan 0.000 0.510 352 S N 0.564 115.957 115.700 -0.512 0.000 3.631 352 S HA -0.180 4.310 4.470 0.033 0.000 0.366 352 S C 0.149 174.321 174.600 -0.713 0.000 0.993 352 S CA 0.213 57.972 58.200 -0.734 0.000 1.167 352 S CB -1.674 60.859 63.200 -1.112 0.000 0.909 352 S HN 0.307 nan 8.310 nan 0.000 0.478 353 L N 1.891 122.846 121.223 -0.447 0.000 2.325 353 L HA 0.473 4.833 4.340 0.033 0.000 0.284 353 L C 0.728 177.410 176.870 -0.314 0.000 1.089 353 L CA -0.241 54.401 54.840 -0.331 0.000 0.836 353 L CB 0.140 42.072 42.059 -0.211 0.000 1.184 353 L HN 0.465 nan 8.230 nan 0.000 0.444 354 I N 0.244 120.622 120.570 -0.320 0.000 2.822 354 I HA 0.634 4.824 4.170 0.033 0.000 0.312 354 I C 0.575 176.617 176.117 -0.125 0.000 1.011 354 I CA -0.606 60.538 61.300 -0.260 0.000 1.105 354 I CB 1.893 39.700 38.000 -0.321 0.000 1.291 354 I HN 0.532 nan 8.210 nan 0.000 0.474 355 S N 2.793 118.451 115.700 -0.070 0.000 2.632 355 S HA 0.342 4.832 4.470 0.033 0.000 0.267 355 S C 0.955 175.579 174.600 0.040 0.000 1.276 355 S CA -0.465 57.722 58.200 -0.021 0.000 0.998 355 S CB 1.570 64.764 63.200 -0.010 0.000 0.953 355 S HN 0.880 nan 8.310 nan 0.000 0.547 356 R N 0.814 121.343 120.500 0.049 0.000 2.096 356 R HA -0.068 4.292 4.340 0.033 0.000 0.235 356 R C 2.366 178.760 176.300 0.157 0.000 1.127 356 R CA 1.604 57.776 56.100 0.120 0.000 0.968 356 R CB -1.124 29.223 30.300 0.077 0.000 0.861 356 R HN 0.848 nan 8.270 nan 0.000 0.440 357 A N 0.569 123.444 122.820 0.090 0.000 1.883 357 A HA -0.248 4.092 4.320 0.033 0.000 0.217 357 A C 2.055 179.687 177.584 0.080 0.000 1.186 357 A CA 1.702 53.782 52.037 0.072 0.000 0.624 357 A CB -0.594 18.432 19.000 0.044 0.000 0.822 357 A HN 0.519 nan 8.150 nan 0.000 0.444 358 Q N -1.966 117.885 119.800 0.085 0.000 2.226 358 Q HA -0.127 4.233 4.340 0.033 0.000 0.204 358 Q C 1.842 177.950 176.000 0.181 0.000 0.975 358 Q CA 1.457 57.319 55.803 0.100 0.000 0.866 358 Q CB -0.265 28.504 28.738 0.051 0.000 0.915 358 Q HN 0.821 nan 8.270 nan 0.000 0.440 359 F N 0.812 120.791 119.950 0.050 0.000 2.113 359 F HA -0.178 4.372 4.527 0.039 0.000 0.297 359 F C 1.722 177.560 175.800 0.064 0.000 1.103 359 F CA 0.904 58.947 58.000 0.071 0.000 1.248 359 F CB 0.103 39.129 39.000 0.043 0.000 0.999 359 F HN -0.041 nan 8.300 nan 0.000 0.475 360 L N 0.305 121.464 121.223 -0.107 0.000 2.046 360 L HA -0.217 4.143 4.340 0.033 0.000 0.208 360 L C 2.852 179.645 176.870 -0.129 0.000 1.077 360 L CA 1.263 55.989 54.840 -0.189 0.000 0.747 360 L CB -1.569 40.467 42.059 -0.037 0.000 0.896 360 L HN 0.282 nan 8.230 nan 0.000 0.432 361 A N 0.628 123.425 122.820 -0.038 0.000 1.898 361 A HA -0.084 4.256 4.320 0.033 0.000 0.216 361 A C 2.431 180.008 177.584 -0.012 0.000 1.181 361 A CA 1.632 53.663 52.037 -0.009 0.000 0.620 361 A CB -1.166 17.852 19.000 0.029 0.000 0.819 361 A HN 0.431 nan 8.150 nan 0.000 0.442 362 G N -0.625 108.181 108.800 0.010 0.000 2.432 362 G HA2 -0.092 3.888 3.960 0.033 0.000 0.219 362 G HA3 -0.092 3.888 3.960 0.033 0.000 0.219 362 G C 1.459 176.325 174.900 -0.056 0.000 1.135 362 G CA 1.162 46.279 45.100 0.029 0.000 0.767 362 G HN 0.311 nan 8.290 nan 0.000 0.550 363 V N 1.035 120.844 119.914 -0.175 0.000 2.407 363 V HA -0.134 4.006 4.120 0.033 0.000 0.248 363 V C 2.938 178.976 176.094 -0.094 0.000 1.055 363 V CA 1.589 63.778 62.300 -0.185 0.000 1.049 363 V CB -0.356 31.273 31.823 -0.323 0.000 0.662 363 V HN 0.250 nan 8.190 nan 0.000 0.455 364 R N -0.143 120.313 120.500 -0.073 0.000 2.115 364 R HA 0.053 4.413 4.340 0.033 0.000 0.230 364 R C 2.023 178.310 176.300 -0.022 0.000 1.111 364 R CA 1.265 57.342 56.100 -0.039 0.000 0.976 364 R CB -0.710 29.574 30.300 -0.026 0.000 0.870 364 R HN 0.472 nan 8.270 nan 0.000 0.445 365 I N -0.398 120.162 120.570 -0.016 0.000 2.480 365 I HA -0.045 4.145 4.170 0.033 0.000 0.251 365 I C 2.201 178.313 176.117 -0.008 0.000 1.124 365 I CA 1.257 62.555 61.300 -0.003 0.000 1.444 365 I CB -0.387 37.620 38.000 0.013 0.000 1.098 365 I HN 0.171 nan 8.210 nan 0.000 0.428 366 G N 0.276 109.064 108.800 -0.019 0.000 2.623 366 G HA2 0.025 4.005 3.960 0.033 0.000 0.214 366 G HA3 0.025 4.005 3.960 0.033 0.000 0.214 366 G C 0.779 175.670 174.900 -0.016 0.000 1.138 366 G CA 0.317 45.407 45.100 -0.017 0.000 0.794 366 G HN 0.225 nan 8.290 nan 0.000 0.535 367 V N 2.000 121.887 119.914 -0.045 0.000 2.405 367 V HA 0.215 4.355 4.120 0.033 0.000 0.253 367 V C -1.523 174.554 176.094 -0.027 0.000 0.963 367 V CA -1.018 61.221 62.300 -0.102 0.000 1.003 367 V CB 1.623 33.359 31.823 -0.146 0.000 1.251 367 V HN 0.055 nan 8.190 nan 0.000 0.520 368 P HA -0.104 nan 4.420 nan 0.000 0.223 368 P C 1.035 178.342 177.300 0.011 0.000 1.151 368 P CA 0.975 64.080 63.100 0.008 0.000 0.787 368 P CB 0.589 32.295 31.700 0.010 0.000 0.788 369 Q N -0.458 119.358 119.800 0.027 0.000 2.425 369 Q HA 0.255 4.615 4.340 0.033 0.000 0.204 369 Q C 0.880 176.884 176.000 0.007 0.000 0.933 369 Q CA 0.010 55.826 55.803 0.021 0.000 0.939 369 Q CB -0.441 28.320 28.738 0.038 0.000 1.044 369 Q HN 0.170 nan 8.270 nan 0.000 0.513 370 A N 0.778 123.597 122.820 -0.001 0.000 2.440 370 A HA 0.433 4.773 4.320 0.033 0.000 0.251 370 A C 0.431 178.007 177.584 -0.014 0.000 1.089 370 A CA -0.266 51.764 52.037 -0.013 0.000 0.779 370 A CB 0.206 19.195 19.000 -0.019 0.000 1.022 370 A HN 0.341 nan 8.150 nan 0.000 0.492 371 S N 1.760 117.449 115.700 -0.019 0.000 2.617 371 S HA 0.136 4.626 4.470 0.033 0.000 0.259 371 S C 0.409 175.005 174.600 -0.006 0.000 1.301 371 S CA 0.114 58.305 58.200 -0.014 0.000 0.984 371 S CB 0.368 63.556 63.200 -0.020 0.000 0.954 371 S HN 0.628 nan 8.310 nan 0.000 0.572 372 D N 0.176 120.576 120.400 -0.001 0.000 2.116 372 D HA -0.104 4.556 4.640 0.033 0.000 0.193 372 D C 1.753 178.064 176.300 0.018 0.000 0.998 372 D CA 1.058 55.062 54.000 0.007 0.000 0.836 372 D CB -0.518 40.288 40.800 0.009 0.000 0.951 372 D HN 0.405 nan 8.370 nan 0.000 0.449 373 L N 0.688 121.922 121.223 0.018 0.000 2.056 373 L HA -0.017 4.344 4.340 0.033 0.000 0.207 373 L C 2.090 178.991 176.870 0.053 0.000 1.078 373 L CA 1.690 56.553 54.840 0.037 0.000 0.749 373 L CB -0.810 41.267 42.059 0.029 0.000 0.901 373 L HN -0.010 nan 8.230 nan 0.000 0.433 374 A N -0.634 122.197 122.820 0.019 0.000 1.930 374 A HA -0.041 4.299 4.320 0.033 0.000 0.217 374 A C 2.440 180.048 177.584 0.040 0.000 1.175 374 A CA 1.567 53.611 52.037 0.011 0.000 0.627 374 A CB -1.075 17.893 19.000 -0.052 0.000 0.815 374 A HN 0.543 nan 8.150 nan 0.000 0.443 375 A N -0.225 122.608 122.820 0.021 0.000 1.902 375 A HA -0.165 4.175 4.320 0.033 0.000 0.217 375 A C 1.970 179.578 177.584 0.039 0.000 1.181 375 A CA 2.156 54.201 52.037 0.013 0.000 0.623 375 A CB -0.453 18.541 19.000 -0.011 0.000 0.818 375 A HN 0.531 nan 8.150 nan 0.000 0.443 376 E N 0.211 120.448 120.200 0.061 0.000 2.106 376 E HA -0.028 4.342 4.350 0.033 0.000 0.192 376 E C 1.989 178.676 176.600 0.145 0.000 0.984 376 E CA 1.461 57.916 56.400 0.091 0.000 0.806 376 E CB -0.457 29.293 29.700 0.084 0.000 0.750 376 E HN 0.465 nan 8.360 nan 0.000 0.458 377 A N -0.030 122.899 122.820 0.182 0.000 1.933 377 A HA -0.126 4.214 4.320 0.033 0.000 0.218 377 A C 2.442 180.184 177.584 0.264 0.000 1.175 377 A CA 1.557 53.757 52.037 0.272 0.000 0.628 377 A CB -0.643 18.613 19.000 0.428 0.000 0.814 377 A HN 0.201 nan 8.150 nan 0.000 0.444 378 V N -0.517 119.548 119.914 0.252 0.000 2.307 378 V HA -0.217 3.923 4.120 0.033 0.000 0.245 378 V C 2.571 178.821 176.094 0.259 0.000 1.045 378 V CA 1.925 64.350 62.300 0.209 0.000 1.024 378 V CB -0.815 31.088 31.823 0.133 0.000 0.651 378 V HN 0.365 nan 8.190 nan 0.000 0.449 379 V N 0.013 120.024 119.914 0.161 0.000 2.287 379 V HA -0.287 3.853 4.120 0.033 0.000 0.248 379 V C 2.314 178.611 176.094 0.338 0.000 1.053 379 V CA 2.161 64.588 62.300 0.213 0.000 1.027 379 V CB -0.585 31.290 31.823 0.087 0.000 0.646 379 V HN 0.452 nan 8.190 nan 0.000 0.447 380 L N -0.810 120.600 121.223 0.311 0.000 2.093 380 L HA -0.186 4.174 4.340 0.033 0.000 0.208 380 L C 2.526 179.600 176.870 0.339 0.000 1.085 380 L CA 1.925 57.023 54.840 0.430 0.000 0.755 380 L CB -0.762 41.490 42.059 0.321 0.000 0.904 380 L HN 0.448 nan 8.230 nan 0.000 0.435 381 H N -0.970 118.109 119.070 0.014 0.000 2.389 381 H HA -0.161 4.416 4.556 0.036 0.000 0.299 381 H C 1.649 176.844 175.328 -0.220 0.000 1.081 381 H CA 1.704 57.599 56.048 -0.256 0.000 1.345 381 H CB 0.145 29.397 29.762 -0.849 0.000 1.393 381 H HN 0.250 nan 8.280 nan 0.000 0.520 382 Y N -0.205 120.155 120.300 0.100 0.000 2.462 382 Y HA 0.154 4.723 4.550 0.033 0.000 0.261 382 Y C 0.608 176.481 175.900 -0.045 0.000 1.146 382 Y CA 0.111 58.279 58.100 0.114 0.000 1.283 382 Y CB 0.467 39.123 38.460 0.326 0.000 1.090 382 Y HN 0.024 nan 8.280 nan 0.000 0.526 383 T N 1.467 115.996 114.554 -0.042 0.000 2.870 383 T HA -0.049 4.321 4.350 0.033 0.000 0.300 383 T C -0.229 174.103 174.700 -0.615 0.000 0.989 383 T CA -0.291 61.506 62.100 -0.504 0.000 1.139 383 T CB 0.357 68.586 68.868 -1.065 0.000 0.920 383 T HN 0.063 nan 8.240 nan 0.000 0.537 384 D N 2.126 122.227 120.400 -0.498 0.000 2.365 384 D HA 0.076 4.736 4.640 0.033 0.000 0.237 384 D C 0.062 176.088 176.300 -0.457 0.000 1.190 384 D CA -0.511 53.279 54.000 -0.350 0.000 0.867 384 D CB 0.460 41.124 40.800 -0.227 0.000 1.050 384 D HN 0.628 nan 8.370 nan 0.000 0.491 385 W N 3.219 124.456 121.300 -0.106 0.000 2.825 385 W HA 0.055 4.733 4.660 0.030 0.000 0.243 385 W C 2.057 178.472 176.519 -0.172 0.000 1.293 385 W CA -0.281 56.996 57.345 -0.113 0.000 1.403 385 W CB 0.094 29.501 29.460 -0.090 0.000 1.134 385 W HN 0.428 nan 8.180 nan 0.000 0.666 386 L N -1.053 120.095 121.223 -0.124 0.000 2.179 386 L HA -0.070 4.290 4.340 0.033 0.000 0.208 386 L C 0.209 176.641 176.870 -0.730 0.000 1.096 386 L CA 1.088 55.687 54.840 -0.402 0.000 0.779 386 L CB -0.161 41.607 42.059 -0.486 0.000 0.922 386 L HN 0.029 nan 8.230 nan 0.000 0.443 387 H N -1.906 117.002 119.070 -0.269 0.000 2.511 387 H HA 0.155 4.717 4.556 0.009 0.000 0.228 387 H C -1.856 173.259 175.328 -0.356 0.000 1.424 387 H CA -1.262 54.580 56.048 -0.343 0.000 1.321 387 H CB 0.191 29.578 29.762 -0.626 0.000 1.720 387 H HN -0.012 nan 8.280 nan 0.000 0.512 388 P HA -0.113 nan 4.420 nan 0.000 0.223 388 P C 0.534 177.708 177.300 -0.211 0.000 1.151 388 P CA 1.126 64.031 63.100 -0.325 0.000 0.787 388 P CB 0.699 32.244 31.700 -0.258 0.000 0.788 389 E N -0.499 119.633 120.200 -0.113 0.000 2.583 389 E HA 0.057 4.427 4.350 0.033 0.000 0.213 389 E C -0.183 176.385 176.600 -0.053 0.000 0.989 389 E CA -0.199 56.160 56.400 -0.068 0.000 0.991 389 E CB 0.104 29.787 29.700 -0.028 0.000 1.040 389 E HN 0.193 nan 8.360 nan 0.000 0.481 390 D N 2.190 122.563 120.400 -0.046 0.000 2.358 390 D HA 0.020 4.680 4.640 0.033 0.000 0.258 390 D C -1.682 174.609 176.300 -0.015 0.000 1.223 390 D CA -1.883 52.120 54.000 0.005 0.000 0.886 390 D CB 1.331 42.184 40.800 0.088 0.000 1.120 390 D HN -0.187 nan 8.370 nan 0.000 0.482 391 P HA -0.127 nan 4.420 nan 0.000 0.218 391 P C 1.096 178.326 177.300 -0.116 0.000 1.148 391 P CA 1.068 64.111 63.100 -0.094 0.000 0.822 391 P CB 0.223 31.860 31.700 -0.106 0.000 0.784 392 T N -1.943 112.557 114.554 -0.091 0.000 2.777 392 T HA -0.149 4.221 4.350 0.033 0.000 0.266 392 T C 1.496 176.111 174.700 -0.142 0.000 1.040 392 T CA 1.468 63.490 62.100 -0.131 0.000 1.141 392 T CB -0.928 67.851 68.868 -0.148 0.000 0.868 392 T HN 0.271 nan 8.240 nan 0.000 0.444 393 H N 0.570 119.558 119.070 -0.136 0.000 2.357 393 H HA 0.124 4.694 4.556 0.024 0.000 0.301 393 H C 2.114 177.314 175.328 -0.213 0.000 1.082 393 H CA 1.104 57.064 56.048 -0.146 0.000 1.342 393 H CB -0.298 29.373 29.762 -0.151 0.000 1.389 393 H HN 0.201 nan 8.280 nan 0.000 0.511 394 L N -0.066 121.062 121.223 -0.158 0.000 2.056 394 L HA -0.138 4.222 4.340 0.033 0.000 0.207 394 L C 2.749 179.503 176.870 -0.194 0.000 1.078 394 L CA 1.048 55.649 54.840 -0.397 0.000 0.749 394 L CB -0.338 41.517 42.059 -0.340 0.000 0.901 394 L HN 0.222 nan 8.230 nan 0.000 0.433 395 R N 0.681 121.128 120.500 -0.089 0.000 2.080 395 R HA -0.204 4.156 4.340 0.033 0.000 0.236 395 R C 1.695 178.076 176.300 0.135 0.000 1.137 395 R CA 2.287 58.406 56.100 0.031 0.000 0.943 395 R CB -0.499 29.691 30.300 -0.183 0.000 0.846 395 R HN 0.320 nan 8.270 nan 0.000 0.431 396 D N 0.325 120.759 120.400 0.057 0.000 2.178 396 D HA -0.094 4.566 4.640 0.033 0.000 0.201 396 D C 1.707 178.089 176.300 0.136 0.000 0.980 396 D CA 1.406 55.474 54.000 0.113 0.000 0.842 396 D CB -0.180 40.646 40.800 0.042 0.000 0.948 396 D HN 0.410 nan 8.370 nan 0.000 0.472 397 A N 0.495 123.359 122.820 0.072 0.000 1.898 397 A HA -0.133 4.207 4.320 0.033 0.000 0.216 397 A C 2.127 179.833 177.584 0.205 0.000 1.181 397 A CA 1.322 53.437 52.037 0.130 0.000 0.620 397 A CB -0.434 18.513 19.000 -0.087 0.000 0.819 397 A HN 0.135 nan 8.150 nan 0.000 0.442 398 M N 0.005 119.768 119.600 0.272 0.000 2.108 398 M HA -0.106 4.394 4.480 0.033 0.000 0.261 398 M C 2.305 178.693 176.300 0.146 0.000 1.066 398 M CA 2.100 57.599 55.300 0.331 0.000 1.107 398 M CB -0.587 32.269 32.600 0.428 0.000 1.356 398 M HN 0.408 nan 8.290 nan 0.000 0.406 399 S N -0.348 115.454 115.700 0.171 0.000 2.359 399 S HA -0.134 4.356 4.470 0.033 0.000 0.224 399 S C 2.049 176.739 174.600 0.150 0.000 1.035 399 S CA 1.664 59.968 58.200 0.173 0.000 1.018 399 S CB -0.618 62.739 63.200 0.262 0.000 0.876 399 S HN 0.633 nan 8.310 nan 0.000 0.448 400 A N 0.819 123.742 122.820 0.173 0.000 1.902 400 A HA -0.011 4.329 4.320 0.033 0.000 0.217 400 A C 2.379 180.025 177.584 0.103 0.000 1.181 400 A CA 1.818 53.985 52.037 0.215 0.000 0.623 400 A CB -1.167 18.064 19.000 0.386 0.000 0.818 400 A HN 0.460 nan 8.150 nan 0.000 0.443 401 V N -0.380 119.444 119.914 -0.151 0.000 2.287 401 V HA -0.261 3.879 4.120 0.033 0.000 0.248 401 V C 2.585 178.628 176.094 -0.086 0.000 1.053 401 V CA 2.188 64.334 62.300 -0.258 0.000 1.027 401 V CB -0.735 30.927 31.823 -0.269 0.000 0.646 401 V HN 0.388 nan 8.190 nan 0.000 0.447 402 V N 0.546 120.427 119.914 -0.055 0.000 2.358 402 V HA -0.120 4.020 4.120 0.033 0.000 0.246 402 V C 2.573 178.570 176.094 -0.163 0.000 1.047 402 V CA 2.084 64.334 62.300 -0.082 0.000 1.035 402 V CB -1.212 30.606 31.823 -0.008 0.000 0.658 402 V HN 0.613 nan 8.190 nan 0.000 0.452 403 G N -0.630 108.140 108.800 -0.050 0.000 2.421 403 G HA2 -0.190 3.790 3.960 0.033 0.000 0.217 403 G HA3 -0.190 3.790 3.960 0.033 0.000 0.217 403 G C 1.221 176.054 174.900 -0.113 0.000 1.143 403 G CA 0.832 45.908 45.100 -0.040 0.000 0.784 403 G HN 0.485 nan 8.290 nan 0.000 0.541 404 D N -0.264 120.079 120.400 -0.096 0.000 2.103 404 D HA -0.049 4.611 4.640 0.033 0.000 0.199 404 D C 2.085 178.071 176.300 -0.523 0.000 0.978 404 D CA 1.041 54.953 54.000 -0.147 0.000 0.829 404 D CB -0.454 40.428 40.800 0.136 0.000 0.981 404 D HN 0.353 nan 8.370 nan 0.000 0.464 405 H N 1.206 119.671 119.070 -1.008 0.000 2.319 405 H HA -0.030 4.546 4.556 0.033 0.000 0.299 405 H C 1.501 176.421 175.328 -0.680 0.000 1.092 405 H CA 1.871 57.149 56.048 -1.283 0.000 1.302 405 H CB 0.024 29.012 29.762 -1.290 0.000 1.373 405 H HN 0.005 nan 8.280 nan 0.000 0.497 406 N N -0.896 117.360 118.700 -0.739 0.000 2.409 406 N HA -0.007 4.753 4.740 0.033 0.000 0.174 406 N C 1.336 176.584 175.510 -0.437 0.000 1.037 406 N CA 1.185 53.729 53.050 -0.842 0.000 0.898 406 N CB 0.951 38.372 38.487 -1.777 0.000 1.010 406 N HN 0.299 nan 8.380 nan 0.000 0.445 407 V N -0.542 119.182 119.914 -0.316 0.000 3.161 407 V HA 0.065 4.205 4.120 0.033 0.000 0.221 407 V C 2.162 178.215 176.094 -0.068 0.000 1.296 407 V CA 0.196 62.449 62.300 -0.078 0.000 1.306 407 V CB -0.028 31.821 31.823 0.044 0.000 1.171 407 V HN -0.166 nan 8.190 nan 0.000 0.513 408 V N -0.064 119.807 119.914 -0.071 0.000 2.295 408 V HA -0.265 3.875 4.120 0.033 0.000 0.246 408 V C 2.489 178.546 176.094 -0.061 0.000 1.049 408 V CA 2.518 64.792 62.300 -0.044 0.000 1.024 408 V CB -0.748 31.079 31.823 0.006 0.000 0.648 408 V HN 0.645 nan 8.190 nan 0.000 0.447 409 c N -0.404 118.146 118.600 -0.083 0.000 2.466 409 c HA 0.024 4.614 4.570 0.033 0.000 0.278 409 c C 0.607 174.663 174.090 -0.056 0.000 1.288 409 c CA 0.847 57.154 56.329 -0.035 0.000 1.722 409 c CB -1.725 40.783 42.510 -0.004 0.000 2.017 409 c HN 0.447 nan 8.230 nan 0.000 0.488 410 P HA -0.103 nan 4.420 nan 0.000 0.216 410 P C 1.737 178.979 177.300 -0.097 0.000 1.153 410 P CA 1.487 64.518 63.100 -0.115 0.000 0.858 410 P CB -0.158 31.448 31.700 -0.157 0.000 0.789 411 V N -0.007 119.851 119.914 -0.093 0.000 2.343 411 V HA -0.269 3.871 4.120 0.033 0.000 0.247 411 V C 2.448 178.451 176.094 -0.153 0.000 1.051 411 V CA 2.296 64.525 62.300 -0.118 0.000 1.036 411 V CB -1.704 30.046 31.823 -0.122 0.000 0.654 411 V HN 0.110 nan 8.190 nan 0.000 0.451 412 A N -0.914 121.833 122.820 -0.122 0.000 1.902 412 A HA -0.313 4.027 4.320 0.033 0.000 0.217 412 A C 2.248 179.797 177.584 -0.058 0.000 1.181 412 A CA 2.154 54.127 52.037 -0.107 0.000 0.623 412 A CB -0.545 18.444 19.000 -0.019 0.000 0.818 412 A HN 0.609 nan 8.150 nan 0.000 0.443 413 Q N -1.030 118.750 119.800 -0.033 0.000 2.084 413 Q HA -0.159 4.201 4.340 0.033 0.000 0.202 413 Q C 1.990 177.972 176.000 -0.030 0.000 0.978 413 Q CA 1.623 57.421 55.803 -0.008 0.000 0.844 413 Q CB -0.205 28.528 28.738 -0.008 0.000 0.898 413 Q HN 0.552 nan 8.270 nan 0.000 0.426 414 L N 0.488 121.665 121.223 -0.076 0.000 2.027 414 L HA -0.041 4.320 4.340 0.033 0.000 0.206 414 L C 2.252 179.049 176.870 -0.122 0.000 1.074 414 L CA 2.098 56.879 54.840 -0.100 0.000 0.745 414 L CB -0.894 41.090 42.059 -0.123 0.000 0.898 414 L HN 0.238 nan 8.230 nan 0.000 0.433 415 A N -0.391 122.318 122.820 -0.185 0.000 1.903 415 A HA -0.208 4.132 4.320 0.033 0.000 0.219 415 A C 2.314 179.866 177.584 -0.053 0.000 1.191 415 A CA 2.022 53.893 52.037 -0.276 0.000 0.638 415 A CB -1.692 16.886 19.000 -0.704 0.000 0.823 415 A HN 0.559 nan 8.150 nan 0.000 0.451 416 G N -1.416 107.419 108.800 0.059 0.000 2.421 416 G HA2 -0.119 3.861 3.960 0.033 0.000 0.217 416 G HA3 -0.119 3.861 3.960 0.033 0.000 0.217 416 G C 1.657 176.631 174.900 0.123 0.000 1.143 416 G CA 0.634 45.855 45.100 0.202 0.000 0.784 416 G HN 0.381 nan 8.290 nan 0.000 0.541 417 R N 0.302 120.845 120.500 0.073 0.000 2.066 417 R HA 0.139 4.499 4.340 0.033 0.000 0.232 417 R C 2.638 179.008 176.300 0.117 0.000 1.131 417 R CA 0.487 56.644 56.100 0.094 0.000 0.955 417 R CB -1.216 29.136 30.300 0.087 0.000 0.851 417 R HN 0.387 nan 8.270 nan 0.000 0.432 418 L N 0.389 121.613 121.223 0.002 0.000 2.012 418 L HA -0.155 4.205 4.340 0.033 0.000 0.210 418 L C 2.630 179.547 176.870 0.079 0.000 1.073 418 L CA 1.573 56.369 54.840 -0.073 0.000 0.748 418 L CB -0.721 41.180 42.059 -0.265 0.000 0.891 418 L HN 0.152 nan 8.230 nan 0.000 0.431 419 A N 0.066 122.940 122.820 0.090 0.000 1.877 419 A HA -0.169 4.171 4.320 0.033 0.000 0.216 419 A C 2.519 180.167 177.584 0.106 0.000 1.186 419 A CA 1.719 53.825 52.037 0.116 0.000 0.620 419 A CB -0.836 18.279 19.000 0.192 0.000 0.822 419 A HN 0.396 nan 8.150 nan 0.000 0.443 420 A N -1.250 121.638 122.820 0.113 0.000 2.076 420 A HA -0.153 4.187 4.320 0.033 0.000 0.220 420 A C 1.790 179.436 177.584 0.103 0.000 1.160 420 A CA 1.647 53.741 52.037 0.095 0.000 0.653 420 A CB -0.327 18.728 19.000 0.092 0.000 0.801 420 A HN 0.652 nan 8.150 nan 0.000 0.455 421 Q N -2.159 117.734 119.800 0.156 0.000 2.165 421 Q HA 0.396 4.756 4.340 0.033 0.000 0.245 421 Q C 0.780 176.886 176.000 0.177 0.000 0.841 421 Q CA 0.305 56.209 55.803 0.167 0.000 1.078 421 Q CB 0.686 29.564 28.738 0.235 0.000 1.169 421 Q HN 0.753 nan 8.270 nan 0.000 0.475 422 G N 0.021 108.906 108.800 0.141 0.000 2.238 422 G HA2 -0.242 3.738 3.960 0.033 0.000 0.217 422 G HA3 -0.242 3.738 3.960 0.033 0.000 0.217 422 G C 0.335 175.311 174.900 0.126 0.000 0.996 422 G CA -0.263 44.904 45.100 0.113 0.000 0.632 422 G HN 0.509 nan 8.290 nan 0.000 0.503 423 A N 0.370 123.288 122.820 0.164 0.000 2.386 423 A HA 0.680 5.021 4.320 0.033 0.000 0.248 423 A C 0.678 178.303 177.584 0.068 0.000 1.082 423 A CA 0.637 52.747 52.037 0.122 0.000 0.789 423 A CB 0.304 19.346 19.000 0.071 0.000 1.025 423 A HN 0.809 nan 8.150 nan 0.000 0.490 424 R N 1.869 122.407 120.500 0.063 0.000 2.207 424 R HA 0.507 4.868 4.340 0.033 0.000 0.334 424 R C -1.530 174.773 176.300 0.005 0.000 1.013 424 R CA -0.195 55.914 56.100 0.016 0.000 0.858 424 R CB 0.439 30.776 30.300 0.063 0.000 1.094 424 R HN 0.466 nan 8.270 nan 0.000 0.457 425 V N 5.620 125.469 119.914 -0.107 0.000 2.555 425 V HA 0.442 4.582 4.120 0.033 0.000 0.302 425 V C -1.116 174.839 176.094 -0.233 0.000 1.038 425 V CA -0.756 61.504 62.300 -0.066 0.000 0.887 425 V CB 1.622 33.455 31.823 0.016 0.000 0.991 425 V HN 0.656 nan 8.190 nan 0.000 0.434 426 Y N 1.939 122.209 120.300 -0.050 0.000 2.391 426 Y HA 0.785 5.355 4.550 0.033 0.000 0.341 426 Y C 0.264 176.246 175.900 0.136 0.000 0.965 426 Y CA -0.506 57.559 58.100 -0.058 0.000 1.067 426 Y CB 2.256 40.337 38.460 -0.632 0.000 1.199 426 Y HN 0.780 nan 8.280 nan 0.000 0.450 427 A N 3.050 126.245 122.820 0.625 0.000 2.380 427 A HA 0.905 5.245 4.320 0.033 0.000 0.315 427 A C -1.886 176.115 177.584 0.695 0.000 1.101 427 A CA -0.723 51.583 52.037 0.448 0.000 0.771 427 A CB 1.202 20.296 19.000 0.157 0.000 1.287 427 A HN 0.766 nan 8.150 nan 0.000 0.436 428 Y N -0.844 119.702 120.300 0.411 0.000 2.571 428 Y HA 0.762 5.332 4.550 0.033 0.000 0.341 428 Y C -1.261 174.821 175.900 0.304 0.000 1.076 428 Y CA -1.413 56.879 58.100 0.319 0.000 1.029 428 Y CB 1.186 39.829 38.460 0.305 0.000 1.308 428 Y HN 0.736 nan 8.280 nan 0.000 0.461 429 I N 3.668 124.527 120.570 0.483 0.000 2.433 429 I HA 0.529 4.719 4.170 0.033 0.000 0.292 429 I C -1.792 174.660 176.117 0.559 0.000 1.001 429 I CA -1.078 60.469 61.300 0.412 0.000 1.119 429 I CB 1.188 39.381 38.000 0.322 0.000 1.289 429 I HN 0.744 nan 8.210 nan 0.000 0.438 430 F N 7.162 127.387 119.950 0.458 0.000 2.404 430 F HA 0.431 4.979 4.527 0.035 0.000 0.354 430 F C 0.471 176.431 175.800 0.267 0.000 1.122 430 F CA 0.020 58.254 58.000 0.389 0.000 1.080 430 F CB 1.035 40.296 39.000 0.435 0.000 1.131 430 F HN 0.566 nan 8.300 nan 0.000 0.471 431 E N 2.977 123.011 120.200 -0.277 0.000 2.676 431 E HA -0.018 4.352 4.350 0.033 0.000 0.222 431 E C -0.850 175.595 176.600 -0.259 0.000 0.968 431 E CA -0.169 56.144 56.400 -0.146 0.000 1.090 431 E CB 0.335 29.992 29.700 -0.070 0.000 1.066 431 E HN 0.525 nan 8.360 nan 0.000 0.496 432 H N 1.487 120.134 119.070 -0.705 0.000 2.517 432 H HA 0.261 4.837 4.556 0.033 0.000 0.317 432 H C -0.489 174.758 175.328 -0.135 0.000 1.080 432 H CA -0.429 55.308 56.048 -0.519 0.000 1.301 432 H CB 0.589 29.845 29.762 -0.843 0.000 1.425 432 H HN -0.157 nan 8.280 nan 0.000 0.471 433 R N 4.097 124.242 120.500 -0.592 0.000 2.221 433 R HA 0.506 4.867 4.340 0.033 0.000 0.327 433 R C -0.571 175.434 176.300 -0.490 0.000 1.033 433 R CA -0.668 55.240 56.100 -0.321 0.000 0.887 433 R CB 0.397 30.603 30.300 -0.156 0.000 1.057 433 R HN 0.825 nan 8.270 nan 0.000 0.455 434 A N 3.036 125.869 122.820 0.022 0.000 2.540 434 A HA -0.007 4.333 4.320 0.033 0.000 0.239 434 A C 1.358 179.026 177.584 0.141 0.000 1.061 434 A CA 0.547 52.795 52.037 0.352 0.000 0.758 434 A CB 0.292 19.628 19.000 0.560 0.000 0.991 434 A HN 1.028 nan 8.150 nan 0.000 0.502 435 S N 1.614 117.436 115.700 0.203 0.000 2.419 435 S HA -0.183 4.307 4.470 0.033 0.000 0.233 435 S C 1.456 176.047 174.600 -0.015 0.000 1.016 435 S CA 1.745 59.995 58.200 0.083 0.000 0.974 435 S CB -0.926 62.345 63.200 0.119 0.000 0.786 435 S HN 1.242 nan 8.310 nan 0.000 0.492 436 T N -0.788 113.722 114.554 -0.074 0.000 3.113 436 T HA 0.292 4.662 4.350 0.033 0.000 0.256 436 T C 0.513 175.142 174.700 -0.117 0.000 1.131 436 T CA -0.442 61.552 62.100 -0.176 0.000 1.074 436 T CB -0.500 68.125 68.868 -0.404 0.000 0.944 436 T HN 0.213 nan 8.240 nan 0.000 0.516 437 L N 4.133 125.324 121.223 -0.053 0.000 2.525 437 L HA 0.228 4.588 4.340 0.033 0.000 0.278 437 L C 1.521 178.336 176.870 -0.092 0.000 1.218 437 L CA 0.747 55.545 54.840 -0.070 0.000 0.878 437 L CB 0.764 42.782 42.059 -0.068 0.000 1.127 437 L HN 0.476 nan 8.230 nan 0.000 0.492 438 T N -0.802 113.660 114.554 -0.153 0.000 3.023 438 T HA 0.116 4.486 4.350 0.033 0.000 0.253 438 T C 0.380 175.063 174.700 -0.028 0.000 1.038 438 T CA -0.476 61.535 62.100 -0.148 0.000 0.962 438 T CB -0.286 68.379 68.868 -0.338 0.000 1.018 438 T HN 0.383 nan 8.240 nan 0.000 0.521 439 W N 3.484 124.783 121.300 -0.002 0.000 2.150 439 W HA 0.421 5.101 4.660 0.033 0.000 0.341 439 W C -1.969 174.435 176.519 -0.192 0.000 1.276 439 W CA -2.196 55.100 57.345 -0.081 0.000 1.238 439 W CB 0.244 29.569 29.460 -0.227 0.000 1.128 439 W HN -0.020 nan 8.180 nan 0.000 0.581 440 P HA 0.029 nan 4.420 nan 0.000 0.272 440 P C 0.446 177.654 177.300 -0.154 0.000 1.240 440 P CA -0.006 63.039 63.100 -0.092 0.000 0.791 440 P CB 0.898 32.543 31.700 -0.093 0.000 0.978 441 L N 0.087 121.290 121.223 -0.033 0.000 2.131 441 L HA -0.127 4.233 4.340 0.033 0.000 0.210 441 L C 2.586 179.474 176.870 0.030 0.000 1.092 441 L CA 1.363 56.203 54.840 -0.000 0.000 0.759 441 L CB -0.933 41.155 42.059 0.047 0.000 0.903 441 L HN 0.604 nan 8.230 nan 0.000 0.435 442 W N -0.508 120.817 121.300 0.042 0.000 2.392 442 W HA -0.156 4.524 4.660 0.032 0.000 0.279 442 W C 1.765 178.320 176.519 0.061 0.000 1.225 442 W CA 0.574 57.946 57.345 0.045 0.000 1.233 442 W CB -0.766 28.722 29.460 0.048 0.000 1.122 442 W HN 0.177 nan 8.180 nan 0.000 0.561 443 M N 1.301 120.561 119.600 -0.567 0.000 2.557 443 M HA 0.114 4.614 4.480 0.033 0.000 0.259 443 M C 1.774 177.984 176.300 -0.149 0.000 1.086 443 M CA 1.616 56.582 55.300 -0.557 0.000 1.096 443 M CB -0.672 31.418 32.600 -0.849 0.000 1.424 443 M HN 0.231 nan 8.290 nan 0.000 0.488 444 G N 0.559 109.317 108.800 -0.069 0.000 2.536 444 G HA2 -0.279 3.701 3.960 0.033 0.000 0.280 444 G HA3 -0.279 3.701 3.960 0.033 0.000 0.280 444 G C -0.168 174.742 174.900 0.017 0.000 1.152 444 G CA -0.209 44.899 45.100 0.013 0.000 0.970 444 G HN 0.218 nan 8.290 nan 0.000 0.549 445 V N 3.663 123.631 119.914 0.091 0.000 2.270 445 V HA 0.474 4.614 4.120 0.033 0.000 0.263 445 V C -1.829 174.407 176.094 0.237 0.000 1.066 445 V CA -0.764 61.641 62.300 0.175 0.000 0.857 445 V CB 0.973 32.942 31.823 0.242 0.000 1.099 445 V HN 0.533 nan 8.190 nan 0.000 0.476 446 P HA 0.191 nan 4.420 nan 0.000 0.276 446 P C -0.197 177.369 177.300 0.444 0.000 1.252 446 P CA -0.568 62.692 63.100 0.268 0.000 0.802 446 P CB 0.381 32.151 31.700 0.117 0.000 1.035 447 H N 0.646 119.860 119.070 0.240 0.000 3.192 447 H HA 0.203 4.779 4.556 0.033 0.000 0.295 447 H C 1.538 176.855 175.328 -0.018 0.000 0.943 447 H CA 2.444 58.564 56.048 0.119 0.000 1.416 447 H CB -0.795 29.006 29.762 0.064 0.000 1.434 447 H HN 0.749 nan 8.280 nan 0.000 0.565 448 G N 3.471 112.094 108.800 -0.296 0.000 2.238 448 G HA2 -0.299 3.681 3.960 0.033 0.000 0.217 448 G HA3 -0.299 3.681 3.960 0.033 0.000 0.217 448 G C 0.575 175.408 174.900 -0.112 0.000 0.996 448 G CA 0.245 45.136 45.100 -0.347 0.000 0.632 448 G HN 0.622 nan 8.290 nan 0.000 0.503 449 Y N 1.842 122.273 120.300 0.218 0.000 2.470 449 Y HA 0.247 4.818 4.550 0.034 0.000 0.284 449 Y C 2.326 178.392 175.900 0.276 0.000 1.188 449 Y CA 0.930 59.220 58.100 0.317 0.000 1.269 449 Y CB 0.431 39.118 38.460 0.378 0.000 1.094 449 Y HN 0.495 nan 8.280 nan 0.000 0.518 450 E N 0.195 120.388 120.200 -0.012 0.000 2.340 450 E HA -0.064 4.306 4.350 0.033 0.000 0.194 450 E C 1.594 178.087 176.600 -0.179 0.000 0.996 450 E CA 0.708 56.761 56.400 -0.580 0.000 0.869 450 E CB -0.360 28.588 29.700 -1.254 0.000 0.835 450 E HN 0.541 nan 8.360 nan 0.000 0.493 451 I N 2.793 123.344 120.570 -0.031 0.000 2.179 451 I HA -0.287 3.903 4.170 0.033 0.000 0.242 451 I C 2.695 178.809 176.117 -0.004 0.000 1.088 451 I CA 1.976 63.297 61.300 0.034 0.000 1.357 451 I CB -0.492 37.603 38.000 0.159 0.000 1.051 451 I HN 0.194 nan 8.210 nan 0.000 0.409 452 E N 1.146 121.284 120.200 -0.103 0.000 2.209 452 E HA -0.247 4.123 4.350 0.033 0.000 0.196 452 E C 2.014 178.342 176.600 -0.454 0.000 0.993 452 E CA 1.566 57.790 56.400 -0.293 0.000 0.819 452 E CB -0.549 28.937 29.700 -0.355 0.000 0.745 452 E HN 0.450 nan 8.360 nan 0.000 0.477 453 F N 1.206 121.034 119.950 -0.202 0.000 2.187 453 F HA -0.017 4.530 4.527 0.034 0.000 0.295 453 F C 2.358 177.909 175.800 -0.414 0.000 1.091 453 F CA 0.498 58.319 58.000 -0.298 0.000 1.308 453 F CB -0.128 38.770 39.000 -0.169 0.000 1.030 453 F HN -0.033 nan 8.300 nan 0.000 0.487 454 I N -0.837 119.547 120.570 -0.310 0.000 2.286 454 I HA -0.270 3.920 4.170 0.033 0.000 0.248 454 I C 2.112 177.949 176.117 -0.467 0.000 1.115 454 I CA 1.615 62.567 61.300 -0.581 0.000 1.392 454 I CB -1.429 36.075 38.000 -0.827 0.000 1.065 454 I HN 0.095 nan 8.210 nan 0.000 0.418 455 F N 0.962 120.718 119.950 -0.323 0.000 2.661 455 F HA 0.164 4.710 4.527 0.033 0.000 0.298 455 F C 1.891 177.526 175.800 -0.274 0.000 1.137 455 F CA 0.942 58.791 58.000 -0.251 0.000 1.454 455 F CB -0.194 38.643 39.000 -0.272 0.000 1.103 455 F HN 0.294 nan 8.300 nan 0.000 0.577 456 G N -0.040 108.578 108.800 -0.302 0.000 2.132 456 G HA2 -0.279 3.701 3.960 0.033 0.000 0.228 456 G HA3 -0.279 3.701 3.960 0.033 0.000 0.228 456 G C 0.883 175.160 174.900 -1.037 0.000 1.000 456 G CA 0.246 45.050 45.100 -0.492 0.000 0.693 456 G HN 0.278 nan 8.290 nan 0.000 0.515 457 L N 0.380 121.014 121.223 -0.982 0.000 2.083 457 L HA 0.053 4.413 4.340 0.033 0.000 0.209 457 L C 0.413 176.741 176.870 -0.903 0.000 1.083 457 L CA 2.594 56.796 54.840 -1.064 0.000 0.752 457 L CB -0.935 40.770 42.059 -0.590 0.000 0.899 457 L HN 0.194 nan 8.230 nan 0.000 0.433 458 P HA -0.162 nan 4.420 nan 0.000 0.222 458 P C 1.578 178.663 177.300 -0.358 0.000 1.142 458 P CA 0.981 63.569 63.100 -0.852 0.000 0.788 458 P CB 0.029 31.258 31.700 -0.784 0.000 0.767 459 L N -1.250 119.721 121.223 -0.420 0.000 2.291 459 L HA -0.030 4.330 4.340 0.033 0.000 0.214 459 L C 1.003 177.835 176.870 -0.062 0.000 1.120 459 L CA 1.131 55.852 54.840 -0.199 0.000 0.799 459 L CB -1.146 40.824 42.059 -0.149 0.000 0.925 459 L HN -0.054 nan 8.230 nan 0.000 0.446 460 D N 0.748 121.088 120.400 -0.101 0.000 2.344 460 D HA 0.056 4.716 4.640 0.033 0.000 0.253 460 D C -1.492 174.841 176.300 0.056 0.000 1.255 460 D CA -2.003 52.044 54.000 0.079 0.000 0.894 460 D CB 1.304 42.191 40.800 0.145 0.000 1.067 460 D HN 0.029 nan 8.370 nan 0.000 0.492 461 P HA -0.120 nan 4.420 nan 0.000 0.223 461 P C 1.141 178.465 177.300 0.039 0.000 1.151 461 P CA 0.560 63.689 63.100 0.048 0.000 0.787 461 P CB 0.078 31.799 31.700 0.036 0.000 0.788 462 S N -0.561 115.159 115.700 0.034 0.000 2.547 462 S HA -0.031 4.459 4.470 0.033 0.000 0.235 462 S C 1.723 176.321 174.600 -0.003 0.000 0.980 462 S CA 0.476 58.683 58.200 0.012 0.000 0.941 462 S CB -1.345 61.861 63.200 0.010 0.000 0.763 462 S HN 0.126 nan 8.310 nan 0.000 0.532 463 L N 0.604 121.840 121.223 0.022 0.000 2.592 463 L HA 0.245 4.605 4.340 0.033 0.000 0.227 463 L C 0.268 177.057 176.870 -0.135 0.000 1.127 463 L CA -0.119 54.709 54.840 -0.020 0.000 0.884 463 L CB -0.589 41.536 42.059 0.111 0.000 1.065 463 L HN 0.236 nan 8.230 nan 0.000 0.457 464 N N -1.502 117.163 118.700 -0.058 0.000 2.782 464 N HA -0.223 4.537 4.740 0.033 0.000 0.251 464 N C -0.408 175.031 175.510 -0.119 0.000 1.101 464 N CA 0.828 53.823 53.050 -0.091 0.000 0.764 464 N CB -1.747 36.661 38.487 -0.131 0.000 1.122 464 N HN 0.295 nan 8.380 nan 0.000 0.561 465 Y N 1.068 121.358 120.300 -0.016 0.000 2.314 465 Y HA 0.197 4.767 4.550 0.033 0.000 0.334 465 Y C 2.008 177.934 175.900 0.042 0.000 1.266 465 Y CA 0.294 58.410 58.100 0.028 0.000 1.391 465 Y CB 0.464 38.933 38.460 0.015 0.000 1.306 465 Y HN 0.078 nan 8.280 nan 0.000 0.558 466 T N -2.978 111.726 114.554 0.250 0.000 2.788 466 T HA 0.079 4.449 4.350 0.033 0.000 0.287 466 T C 1.075 175.856 174.700 0.135 0.000 1.007 466 T CA -0.315 61.876 62.100 0.152 0.000 1.005 466 T CB 0.807 69.753 68.868 0.130 0.000 1.012 466 T HN 0.695 nan 8.240 nan 0.000 0.530 467 T N 0.831 115.435 114.554 0.083 0.000 2.867 467 T HA -0.055 4.315 4.350 0.033 0.000 0.268 467 T C 1.743 176.477 174.700 0.056 0.000 1.057 467 T CA 1.534 63.669 62.100 0.059 0.000 1.136 467 T CB -0.359 68.531 68.868 0.037 0.000 0.874 467 T HN 0.708 nan 8.240 nan 0.000 0.466 468 E N 1.355 121.585 120.200 0.051 0.000 2.106 468 E HA -0.064 4.306 4.350 0.033 0.000 0.192 468 E C 2.223 178.855 176.600 0.053 0.000 0.984 468 E CA 0.893 57.305 56.400 0.019 0.000 0.806 468 E CB -0.177 29.504 29.700 -0.031 0.000 0.750 468 E HN 0.579 nan 8.360 nan 0.000 0.458 469 E N 0.172 120.450 120.200 0.129 0.000 2.150 469 E HA -0.117 4.253 4.350 0.033 0.000 0.193 469 E C 2.083 178.816 176.600 0.222 0.000 0.985 469 E CA 0.443 57.012 56.400 0.282 0.000 0.814 469 E CB 0.006 30.015 29.700 0.514 0.000 0.752 469 E HN 0.078 nan 8.360 nan 0.000 0.466 470 R N 0.794 121.356 120.500 0.103 0.000 2.075 470 R HA -0.103 4.258 4.340 0.033 0.000 0.232 470 R C 2.239 178.547 176.300 0.013 0.000 1.126 470 R CA 1.037 57.143 56.100 0.009 0.000 0.963 470 R CB -0.144 30.159 30.300 0.004 0.000 0.858 470 R HN 0.154 nan 8.270 nan 0.000 0.435 471 I N 0.267 120.863 120.570 0.044 0.000 2.286 471 I HA -0.278 3.912 4.170 0.033 0.000 0.248 471 I C 2.176 178.335 176.117 0.070 0.000 1.115 471 I CA 0.975 62.297 61.300 0.036 0.000 1.392 471 I CB -0.317 37.704 38.000 0.035 0.000 1.065 471 I HN 0.161 nan 8.210 nan 0.000 0.418 472 F N 1.932 121.839 119.950 -0.071 0.000 2.084 472 F HA -0.166 4.383 4.527 0.035 0.000 0.296 472 F C 2.494 178.270 175.800 -0.041 0.000 1.111 472 F CA 1.221 59.166 58.000 -0.093 0.000 1.224 472 F CB -0.759 38.124 39.000 -0.196 0.000 0.991 472 F HN 0.008 nan 8.300 nan 0.000 0.471 473 A N 0.213 122.960 122.820 -0.122 0.000 1.917 473 A HA -0.298 4.042 4.320 0.033 0.000 0.219 473 A C 2.173 179.617 177.584 -0.233 0.000 1.182 473 A CA 2.129 54.039 52.037 -0.211 0.000 0.633 473 A CB -1.064 17.844 19.000 -0.155 0.000 0.819 473 A HN 0.642 nan 8.150 nan 0.000 0.448 474 Q N -1.085 118.622 119.800 -0.154 0.000 2.170 474 Q HA -0.171 4.189 4.340 0.033 0.000 0.203 474 Q C 2.386 178.275 176.000 -0.185 0.000 0.976 474 Q CA 1.496 57.217 55.803 -0.136 0.000 0.858 474 Q CB -0.148 28.542 28.738 -0.080 0.000 0.907 474 Q HN 0.646 nan 8.270 nan 0.000 0.433 475 R N 0.101 120.468 120.500 -0.221 0.000 2.066 475 R HA -0.057 4.303 4.340 0.033 0.000 0.232 475 R C 2.310 178.295 176.300 -0.525 0.000 1.131 475 R CA 0.961 56.843 56.100 -0.363 0.000 0.955 475 R CB -0.164 29.992 30.300 -0.240 0.000 0.851 475 R HN 0.238 nan 8.270 nan 0.000 0.432 476 L N 0.114 121.110 121.223 -0.378 0.000 2.056 476 L HA -0.164 4.196 4.340 0.033 0.000 0.207 476 L C 2.513 179.296 176.870 -0.146 0.000 1.078 476 L CA 1.313 56.016 54.840 -0.228 0.000 0.749 476 L CB -0.385 41.389 42.059 -0.474 0.000 0.901 476 L HN 0.260 nan 8.230 nan 0.000 0.433 477 M N -0.600 118.867 119.600 -0.222 0.000 2.144 477 M HA -0.234 4.266 4.480 0.033 0.000 0.260 477 M C 2.331 178.616 176.300 -0.025 0.000 1.067 477 M CA 1.680 56.896 55.300 -0.139 0.000 1.095 477 M CB -0.335 32.177 32.600 -0.147 0.000 1.365 477 M HN 0.098 nan 8.290 nan 0.000 0.406 478 K N -0.326 120.025 120.400 -0.081 0.000 2.057 478 K HA -0.131 4.209 4.320 0.033 0.000 0.206 478 K C 1.904 178.563 176.600 0.097 0.000 1.050 478 K CA 1.575 57.835 56.287 -0.046 0.000 0.935 478 K CB -0.331 32.080 32.500 -0.147 0.000 0.715 478 K HN 0.316 nan 8.250 nan 0.000 0.439 479 Y N -0.112 120.318 120.300 0.216 0.000 2.097 479 Y HA -0.235 4.335 4.550 0.033 0.000 0.282 479 Y C 2.418 178.456 175.900 0.230 0.000 1.152 479 Y CA 0.769 59.030 58.100 0.269 0.000 1.136 479 Y CB -0.913 37.857 38.460 0.515 0.000 0.975 479 Y HN 0.222 nan 8.280 nan 0.000 0.498 480 W N 0.547 121.920 121.300 0.122 0.000 2.358 480 W HA -0.225 4.455 4.660 0.033 0.000 0.303 480 W C 2.413 178.934 176.519 0.003 0.000 1.208 480 W CA 2.162 59.517 57.345 0.017 0.000 1.274 480 W CB -0.573 28.826 29.460 -0.102 0.000 1.138 480 W HN 0.244 nan 8.180 nan 0.000 0.515 481 T N -2.712 111.952 114.554 0.183 0.000 3.014 481 T HA -0.084 4.286 4.350 0.033 0.000 0.263 481 T C 1.389 176.115 174.700 0.042 0.000 1.078 481 T CA 0.924 63.061 62.100 0.062 0.000 1.135 481 T CB -0.492 68.391 68.868 0.025 0.000 0.895 481 T HN -0.097 nan 8.240 nan 0.000 0.480 482 N N 0.946 119.690 118.700 0.074 0.000 2.142 482 N HA 0.026 4.786 4.740 0.033 0.000 0.186 482 N C 1.329 176.834 175.510 -0.007 0.000 1.023 482 N CA 0.868 53.940 53.050 0.037 0.000 0.852 482 N CB -0.657 37.874 38.487 0.074 0.000 0.998 482 N HN 0.453 nan 8.380 nan 0.000 0.424 483 F N 1.773 121.633 119.950 -0.150 0.000 2.102 483 F HA -0.110 4.438 4.527 0.034 0.000 0.298 483 F C 2.178 177.888 175.800 -0.149 0.000 1.105 483 F CA 1.410 59.270 58.000 -0.234 0.000 1.239 483 F CB -0.548 38.225 39.000 -0.379 0.000 0.991 483 F HN 0.037 nan 8.300 nan 0.000 0.474 484 A N 0.568 123.305 122.820 -0.138 0.000 1.883 484 A HA -0.228 4.112 4.320 0.033 0.000 0.217 484 A C 2.391 179.863 177.584 -0.187 0.000 1.186 484 A CA 1.952 53.885 52.037 -0.174 0.000 0.624 484 A CB -0.812 18.148 19.000 -0.066 0.000 0.822 484 A HN 0.467 nan 8.150 nan 0.000 0.444 485 R N -1.365 119.056 120.500 -0.130 0.000 2.075 485 R HA -0.083 4.277 4.340 0.033 0.000 0.232 485 R C 1.859 178.074 176.300 -0.142 0.000 1.126 485 R CA 1.853 57.889 56.100 -0.106 0.000 0.963 485 R CB -0.156 30.108 30.300 -0.060 0.000 0.858 485 R HN 0.749 nan 8.270 nan 0.000 0.435 486 T N -5.803 108.640 114.554 -0.185 0.000 3.041 486 T HA 0.220 4.590 4.350 0.033 0.000 0.276 486 T C 1.030 175.594 174.700 -0.227 0.000 0.948 486 T CA 0.363 62.364 62.100 -0.164 0.000 0.885 486 T CB 1.340 70.149 68.868 -0.098 0.000 1.175 486 T HN 0.308 nan 8.240 nan 0.000 0.529 487 G N 1.378 109.905 108.800 -0.454 0.000 2.153 487 G HA2 -0.175 3.805 3.960 0.033 0.000 0.252 487 G HA3 -0.175 3.805 3.960 0.033 0.000 0.252 487 G C -0.369 174.429 174.900 -0.170 0.000 0.994 487 G CA 0.289 45.050 45.100 -0.565 0.000 0.698 487 G HN 0.806 nan 8.290 nan 0.000 0.521 488 D N -0.874 119.421 120.400 -0.176 0.000 2.736 488 D HA 0.432 5.092 4.640 0.033 0.000 0.243 488 D C -1.530 174.594 176.300 -0.292 0.000 1.304 488 D CA -1.623 52.213 54.000 -0.274 0.000 0.934 488 D CB 2.018 42.759 40.800 -0.098 0.000 1.382 488 D HN -0.012 nan 8.370 nan 0.000 0.571 489 P HA -0.017 nan 4.420 nan 0.000 0.233 489 P C 0.049 177.355 177.300 0.009 0.000 1.167 489 P CA 0.106 63.026 63.100 -0.299 0.000 0.770 489 P CB 0.387 31.613 31.700 -0.789 0.000 0.837 490 N N 1.380 120.051 118.700 -0.048 0.000 2.482 490 N HA 0.041 4.801 4.740 0.033 0.000 0.260 490 N C -0.207 175.368 175.510 0.109 0.000 1.236 490 N CA 0.181 53.304 53.050 0.122 0.000 0.938 490 N CB 0.261 38.813 38.487 0.107 0.000 1.128 490 N HN -0.029 nan 8.380 nan 0.000 0.448 491 D N 1.180 121.662 120.400 0.137 0.000 2.417 491 D HA 0.090 4.750 4.640 0.033 0.000 0.250 491 D C -1.190 175.149 176.300 0.064 0.000 1.166 491 D CA -0.862 53.191 54.000 0.089 0.000 0.881 491 D CB 0.879 41.730 40.800 0.086 0.000 1.164 491 D HN 0.290 nan 8.370 nan 0.000 0.467 492 P HA -0.043 nan 4.420 nan 0.000 0.216 492 P C 0.181 177.502 177.300 0.035 0.000 1.153 492 P CA 1.163 64.283 63.100 0.033 0.000 0.844 492 P CB 0.291 32.002 31.700 0.019 0.000 0.787 493 R N 0.451 120.970 120.500 0.033 0.000 2.711 493 R HA 0.649 5.009 4.340 0.033 0.000 0.284 493 R C -0.466 175.857 176.300 0.038 0.000 0.968 493 R CA -0.476 55.644 56.100 0.033 0.000 0.924 493 R CB 0.068 30.384 30.300 0.025 0.000 1.162 493 R HN 0.266 nan 8.270 nan 0.000 0.465 494 D N -1.173 119.251 120.400 0.041 0.000 2.692 494 D HA 0.298 4.958 4.640 0.033 0.000 0.303 494 D C 0.245 176.573 176.300 0.046 0.000 1.278 494 D CA 0.136 54.166 54.000 0.050 0.000 0.852 494 D CB 0.606 41.446 40.800 0.067 0.000 1.375 494 D HN 0.182 nan 8.370 nan 0.000 0.453 495 S N -0.346 115.386 115.700 0.054 0.000 2.348 495 S HA 0.118 4.608 4.470 0.033 0.000 0.219 495 S C 0.742 175.376 174.600 0.056 0.000 1.033 495 S CA 1.251 59.481 58.200 0.050 0.000 0.974 495 S CB -0.036 63.196 63.200 0.053 0.000 0.868 495 S HN 0.665 nan 8.310 nan 0.000 0.459 496 K N -1.337 119.107 120.400 0.073 0.000 8.084 496 K HA -0.108 4.232 4.320 0.033 0.000 0.197 496 K C 1.067 177.718 176.600 0.084 0.000 1.589 496 K CA 0.796 57.129 56.287 0.075 0.000 0.954 496 K CB -1.528 31.007 32.500 0.058 0.000 0.365 496 K HN 0.114 nan 8.250 nan 0.000 0.433 497 S N 2.429 118.170 115.700 0.068 0.000 2.701 497 S HA 0.105 4.595 4.470 0.033 0.000 0.220 497 S C -2.205 172.433 174.600 0.064 0.000 0.954 497 S CA -0.329 57.908 58.200 0.062 0.000 0.936 497 S CB -0.328 62.900 63.200 0.047 0.000 0.777 497 S HN 0.235 nan 8.310 nan 0.000 0.518 498 P HA 0.431 nan 4.420 nan 0.000 0.235 498 P C -1.061 176.309 177.300 0.117 0.000 1.706 498 P CA -0.431 62.716 63.100 0.078 0.000 1.212 498 P CB 0.779 32.517 31.700 0.064 0.000 1.520 499 Q N 1.228 121.105 119.800 0.128 0.000 2.293 499 Q HA 0.154 4.514 4.340 0.033 0.000 0.251 499 Q C -0.569 175.577 176.000 0.244 0.000 0.930 499 Q CA -0.055 55.858 55.803 0.184 0.000 0.893 499 Q CB 1.541 30.376 28.738 0.163 0.000 1.215 499 Q HN 0.528 nan 8.270 nan 0.000 0.425 500 W N 6.736 128.081 121.300 0.075 0.000 2.481 500 W HA 0.240 4.921 4.660 0.036 0.000 0.320 500 W C -2.419 174.231 176.519 0.219 0.000 1.209 500 W CA -2.291 55.109 57.345 0.092 0.000 1.400 500 W CB 0.187 29.638 29.460 -0.014 0.000 1.361 500 W HN 0.376 nan 8.180 nan 0.000 0.456 501 P HA 0.313 nan 4.420 nan 0.000 0.284 501 P C -2.641 174.847 177.300 0.313 0.000 1.258 501 P CA -1.941 61.383 63.100 0.373 0.000 0.824 501 P CB 0.976 32.803 31.700 0.213 0.000 1.038 502 P HA 0.035 nan 4.420 nan 0.000 0.267 502 P C -0.646 176.632 177.300 -0.036 0.000 1.200 502 P CA 0.204 63.086 63.100 -0.364 0.000 0.772 502 P CB 0.024 31.484 31.700 -0.400 0.000 0.855 503 Y N 2.897 123.136 120.300 -0.102 0.000 2.436 503 Y HA 0.316 4.886 4.550 0.033 0.000 0.336 503 Y C 0.430 176.318 175.900 -0.020 0.000 1.049 503 Y CA 0.514 58.625 58.100 0.019 0.000 1.294 503 Y CB 0.169 38.663 38.460 0.056 0.000 1.179 503 Y HN 0.373 nan 8.280 nan 0.000 0.520 504 T N 0.187 114.521 114.554 -0.366 0.000 2.924 504 T HA 0.249 4.619 4.350 0.033 0.000 0.291 504 T C 0.960 175.434 174.700 -0.376 0.000 1.045 504 T CA -0.192 61.772 62.100 -0.227 0.000 1.015 504 T CB 1.380 70.168 68.868 -0.133 0.000 1.103 504 T HN 0.636 nan 8.240 nan 0.000 0.496 505 T N -1.115 113.363 114.554 -0.127 0.000 2.951 505 T HA 0.076 4.446 4.350 0.033 0.000 0.268 505 T C 2.145 176.798 174.700 -0.080 0.000 1.073 505 T CA 0.788 62.849 62.100 -0.065 0.000 1.134 505 T CB -0.675 68.213 68.868 0.033 0.000 0.884 505 T HN 0.816 nan 8.240 nan 0.000 0.479 506 A N 1.902 124.675 122.820 -0.078 0.000 1.832 506 A HA 0.529 4.869 4.320 0.033 0.000 0.214 506 A C 2.753 180.292 177.584 -0.075 0.000 1.204 506 A CA 1.482 53.487 52.037 -0.054 0.000 0.606 506 A CB -1.332 17.647 19.000 -0.035 0.000 0.849 506 A HN 0.704 nan 8.150 nan 0.000 0.445 507 A N -2.092 120.661 122.820 -0.111 0.000 2.021 507 A HA 0.169 4.509 4.320 0.033 0.000 0.216 507 A C 1.074 178.580 177.584 -0.131 0.000 1.163 507 A CA 1.058 53.040 52.037 -0.091 0.000 0.676 507 A CB -0.365 18.594 19.000 -0.069 0.000 0.818 507 A HN 0.598 nan 8.150 nan 0.000 0.453 508 Q N -0.615 118.984 119.800 -0.334 0.000 2.457 508 Q HA -0.221 4.139 4.340 0.033 0.000 0.283 508 Q C -0.672 175.285 176.000 -0.071 0.000 1.234 508 Q CA 0.661 56.166 55.803 -0.497 0.000 0.877 508 Q CB -1.796 26.874 28.738 -0.114 0.000 1.250 508 Q HN 0.840 nan 8.270 nan 0.000 0.481 509 Q N 0.438 120.201 119.800 -0.062 0.000 2.304 509 Q HA 0.409 4.769 4.340 0.033 0.000 0.260 509 Q C -0.351 175.902 176.000 0.421 0.000 0.965 509 Q CA 0.144 56.032 55.803 0.141 0.000 0.898 509 Q CB 0.473 29.255 28.738 0.073 0.000 1.196 509 Q HN 0.342 nan 8.270 nan 0.000 0.402 510 Y N -1.188 119.246 120.300 0.223 0.000 2.677 510 Y HA 0.757 5.326 4.550 0.032 0.000 0.334 510 Y C -1.064 174.863 175.900 0.045 0.000 1.154 510 Y CA -1.577 56.666 58.100 0.238 0.000 1.070 510 Y CB 0.548 39.156 38.460 0.247 0.000 1.294 510 Y HN 0.324 nan 8.280 nan 0.000 0.475 511 V N -0.537 119.328 119.914 -0.082 0.000 2.769 511 V HA 0.809 4.949 4.120 0.033 0.000 0.312 511 V C -0.304 175.717 176.094 -0.122 0.000 1.061 511 V CA -0.608 61.487 62.300 -0.341 0.000 0.931 511 V CB 1.292 32.647 31.823 -0.780 0.000 1.010 511 V HN 1.208 nan 8.190 nan 0.000 0.433 512 S N 4.233 119.858 115.700 -0.125 0.000 2.499 512 S HA 0.629 5.120 4.470 0.033 0.000 0.275 512 S C -0.361 174.223 174.600 -0.025 0.000 1.257 512 S CA -0.609 57.588 58.200 -0.005 0.000 1.050 512 S CB 0.409 63.594 63.200 -0.024 0.000 0.937 512 S HN 0.771 nan 8.310 nan 0.000 0.490 513 L N 4.470 125.739 121.223 0.076 0.000 2.270 513 L HA 0.454 4.814 4.340 0.033 0.000 0.286 513 L C -0.082 176.761 176.870 -0.046 0.000 1.059 513 L CA -0.406 54.521 54.840 0.145 0.000 0.839 513 L CB -0.329 41.932 42.059 0.337 0.000 1.221 513 L HN 0.920 nan 8.230 nan 0.000 0.431 514 N N 2.087 120.681 118.700 -0.178 0.000 3.344 514 N HA 0.331 5.091 4.740 0.033 0.000 0.296 514 N C 0.206 175.200 175.510 -0.860 0.000 1.571 514 N CA -0.967 51.710 53.050 -0.622 0.000 0.844 514 N CB 0.665 38.940 38.487 -0.354 0.000 1.718 514 N HN 0.163 nan 8.380 nan 0.000 0.589 515 L N -0.879 119.828 121.223 -0.860 0.000 2.362 515 L HA 0.079 4.439 4.340 0.033 0.000 0.219 515 L C 0.474 177.163 176.870 -0.301 0.000 1.134 515 L CA 0.899 55.337 54.840 -0.669 0.000 0.807 515 L CB -0.488 41.249 42.059 -0.535 0.000 0.927 515 L HN 0.395 nan 8.230 nan 0.000 0.447 516 K N 0.286 120.552 120.400 -0.224 0.000 2.126 516 K HA 0.304 4.644 4.320 0.033 0.000 0.257 516 K C -2.190 174.374 176.600 -0.060 0.000 1.007 516 K CA -2.003 54.216 56.287 -0.113 0.000 0.928 516 K CB 0.017 32.461 32.500 -0.093 0.000 1.013 516 K HN -0.224 nan 8.250 nan 0.000 0.473 517 P HA -0.054 nan 4.420 nan 0.000 0.268 517 P C -0.243 177.063 177.300 0.010 0.000 1.208 517 P CA -0.036 63.078 63.100 0.022 0.000 0.777 517 P CB 0.366 32.079 31.700 0.022 0.000 0.875 518 L N 1.483 122.729 121.223 0.038 0.000 2.615 518 L HA -0.081 4.280 4.340 0.033 0.000 0.284 518 L C 1.086 177.922 176.870 -0.056 0.000 1.237 518 L CA 0.943 55.764 54.840 -0.032 0.000 0.905 518 L CB -0.223 41.809 42.059 -0.046 0.000 1.149 518 L HN 0.506 nan 8.230 nan 0.000 0.499 519 E N 2.883 123.023 120.200 -0.099 0.000 2.187 519 E HA 0.399 4.769 4.350 0.033 0.000 0.268 519 E C -1.325 175.177 176.600 -0.162 0.000 0.896 519 E CA -0.784 55.555 56.400 -0.102 0.000 0.766 519 E CB 1.914 31.560 29.700 -0.090 0.000 1.142 519 E HN 0.300 nan 8.360 nan 0.000 0.408 520 V N 5.095 124.926 119.914 -0.139 0.000 2.461 520 V HA 0.414 4.554 4.120 0.033 0.000 0.275 520 V C 0.294 176.250 176.094 -0.230 0.000 1.047 520 V CA -0.241 61.955 62.300 -0.174 0.000 0.955 520 V CB 0.979 32.756 31.823 -0.077 0.000 0.988 520 V HN 0.694 nan 8.190 nan 0.000 0.471 521 R N 3.858 124.098 120.500 -0.434 0.000 2.919 521 R HA 0.772 5.132 4.340 0.033 0.000 0.260 521 R C -0.883 175.208 176.300 -0.348 0.000 1.067 521 R CA -1.075 54.752 56.100 -0.455 0.000 1.003 521 R CB 2.350 32.227 30.300 -0.705 0.000 1.192 521 R HN 0.574 nan 8.270 nan 0.000 0.488 522 R N -0.102 120.361 120.500 -0.062 0.000 2.513 522 R HA 0.490 4.851 4.340 0.033 0.000 0.301 522 R C -0.909 175.566 176.300 0.291 0.000 0.968 522 R CA -0.471 55.703 56.100 0.123 0.000 0.872 522 R CB 2.231 32.562 30.300 0.052 0.000 1.177 522 R HN 0.904 nan 8.270 nan 0.000 0.444 523 G N 2.557 111.596 108.800 0.399 0.000 3.269 523 G HA2 -0.188 3.792 3.960 0.033 0.000 0.668 523 G HA3 -0.188 3.792 3.960 0.033 0.000 0.668 523 G C -1.157 173.923 174.900 0.301 0.000 1.100 523 G CA -0.981 44.300 45.100 0.302 0.000 0.940 523 G HN 0.376 nan 8.290 nan 0.000 0.438 524 L N 2.925 124.218 121.223 0.117 0.000 2.401 524 L HA 0.626 4.987 4.340 0.033 0.000 0.283 524 L C 1.340 178.218 176.870 0.013 0.000 1.151 524 L CA -0.310 54.431 54.840 -0.165 0.000 0.942 524 L CB -0.204 41.699 42.059 -0.259 0.000 1.283 524 L HN 0.771 nan 8.230 nan 0.000 0.442 525 R N 2.427 122.974 120.500 0.079 0.000 3.322 525 R HA -0.271 4.089 4.340 0.033 0.000 0.253 525 R C 1.404 177.796 176.300 0.153 0.000 0.987 525 R CA 0.733 56.912 56.100 0.131 0.000 0.666 525 R CB -1.329 29.055 30.300 0.139 0.000 1.072 525 R HN 0.770 nan 8.270 nan 0.000 0.447 526 A N -0.033 122.876 122.820 0.148 0.000 1.877 526 A HA -0.228 4.113 4.320 0.033 0.000 0.216 526 A C 1.790 179.468 177.584 0.156 0.000 1.186 526 A CA 1.347 53.472 52.037 0.147 0.000 0.620 526 A CB -0.170 18.911 19.000 0.135 0.000 0.822 526 A HN 0.458 nan 8.150 nan 0.000 0.443 527 Q N -0.615 119.275 119.800 0.150 0.000 2.046 527 Q HA -0.095 4.265 4.340 0.033 0.000 0.200 527 Q C 2.220 178.353 176.000 0.221 0.000 0.975 527 Q CA 2.035 57.933 55.803 0.158 0.000 0.836 527 Q CB -1.143 27.667 28.738 0.121 0.000 0.896 527 Q HN 0.639 nan 8.270 nan 0.000 0.428 528 T N 0.427 115.130 114.554 0.247 0.000 2.821 528 T HA -0.105 4.265 4.350 0.033 0.000 0.267 528 T C 1.990 176.929 174.700 0.398 0.000 1.046 528 T CA 1.085 63.371 62.100 0.309 0.000 1.139 528 T CB -0.218 68.847 68.868 0.330 0.000 0.871 528 T HN 0.311 nan 8.240 nan 0.000 0.454 529 c N 1.522 120.325 118.600 0.339 0.000 2.446 529 c HA 0.277 4.867 4.570 0.033 0.000 0.279 529 c C 3.116 177.377 174.090 0.285 0.000 1.366 529 c CA -0.049 56.489 56.329 0.347 0.000 1.763 529 c CB -1.350 41.293 42.510 0.222 0.000 1.929 529 c HN 0.636 nan 8.230 nan 0.000 0.509 530 A N 0.301 123.259 122.820 0.231 0.000 1.933 530 A HA -0.196 4.144 4.320 0.033 0.000 0.218 530 A C 1.860 179.565 177.584 0.202 0.000 1.175 530 A CA 1.616 53.767 52.037 0.189 0.000 0.628 530 A CB -0.773 18.325 19.000 0.162 0.000 0.814 530 A HN 0.563 nan 8.150 nan 0.000 0.444 531 F N -0.852 119.119 119.950 0.035 0.000 2.075 531 F HA -0.179 4.370 4.527 0.037 0.000 0.297 531 F C 1.962 177.743 175.800 -0.033 0.000 1.113 531 F CA 1.847 59.789 58.000 -0.096 0.000 1.218 531 F CB -0.540 38.142 39.000 -0.530 0.000 0.984 531 F HN 0.371 nan 8.300 nan 0.000 0.472 532 W N 0.584 121.876 121.300 -0.013 0.000 2.409 532 W HA -0.114 4.565 4.660 0.032 0.000 0.299 532 W C 2.179 178.648 176.519 -0.084 0.000 1.203 532 W CA 1.015 58.301 57.345 -0.097 0.000 1.298 532 W CB -0.491 29.035 29.460 0.109 0.000 1.127 532 W HN -0.029 nan 8.180 nan 0.000 0.528 533 N N -0.567 118.258 118.700 0.209 0.000 2.409 533 N HA 0.038 4.798 4.740 0.033 0.000 0.174 533 N C 1.481 177.027 175.510 0.061 0.000 1.037 533 N CA 0.868 53.990 53.050 0.120 0.000 0.898 533 N CB -0.117 38.441 38.487 0.119 0.000 1.010 533 N HN 0.259 nan 8.380 nan 0.000 0.445 534 R N -1.416 119.121 120.500 0.062 0.000 2.243 534 R HA 0.212 4.572 4.340 0.033 0.000 0.193 534 R C 1.380 177.704 176.300 0.040 0.000 0.933 534 R CA -0.062 56.071 56.100 0.055 0.000 1.105 534 R CB -0.164 30.192 30.300 0.093 0.000 1.169 534 R HN 0.046 nan 8.270 nan 0.000 0.599 535 F N 1.923 121.799 119.950 -0.124 0.000 2.147 535 F HA 0.095 4.643 4.527 0.035 0.000 0.291 535 F C 1.877 177.533 175.800 -0.241 0.000 1.093 535 F CA 1.112 59.011 58.000 -0.168 0.000 1.263 535 F CB -0.223 38.673 39.000 -0.173 0.000 1.036 535 F HN -0.171 nan 8.300 nan 0.000 0.481 536 L N 0.424 121.305 121.223 -0.571 0.000 2.083 536 L HA -0.143 4.218 4.340 0.033 0.000 0.209 536 L C -0.475 176.153 176.870 -0.403 0.000 1.083 536 L CA 1.295 55.760 54.840 -0.625 0.000 0.752 536 L CB -2.005 39.736 42.059 -0.530 0.000 0.899 536 L HN 0.145 nan 8.230 nan 0.000 0.433 537 P HA -0.202 nan 4.420 nan 0.000 0.215 537 P C 1.357 178.538 177.300 -0.198 0.000 1.157 537 P CA 1.444 64.445 63.100 -0.165 0.000 0.874 537 P CB 0.003 31.647 31.700 -0.092 0.000 0.790 538 K N -1.193 119.062 120.400 -0.241 0.000 2.147 538 K HA -0.142 4.198 4.320 0.033 0.000 0.205 538 K C 1.936 178.354 176.600 -0.303 0.000 1.049 538 K CA 0.904 57.057 56.287 -0.223 0.000 0.936 538 K CB -0.743 31.655 32.500 -0.169 0.000 0.722 538 K HN 0.068 nan 8.250 nan 0.000 0.446 539 L N 1.128 122.041 121.223 -0.517 0.000 1.973 539 L HA -0.117 4.243 4.340 0.033 0.000 0.208 539 L C 1.751 178.470 176.870 -0.252 0.000 1.073 539 L CA 1.698 56.250 54.840 -0.479 0.000 0.746 539 L CB -0.451 41.188 42.059 -0.701 0.000 0.891 539 L HN 0.097 nan 8.230 nan 0.000 0.433 540 L N -0.337 120.752 121.223 -0.223 0.000 2.478 540 L HA -0.011 4.349 4.340 0.033 0.000 0.223 540 L C 2.219 179.029 176.870 -0.100 0.000 1.140 540 L CA 0.942 55.702 54.840 -0.134 0.000 0.842 540 L CB -0.617 41.375 42.059 -0.112 0.000 0.953 540 L HN 0.525 nan 8.230 nan 0.000 0.452 541 S N -1.060 114.575 115.700 -0.109 0.000 2.593 541 S HA 0.199 4.689 4.470 0.033 0.000 0.217 541 S C 1.291 175.851 174.600 -0.067 0.000 0.966 541 S CA 0.353 58.506 58.200 -0.078 0.000 0.914 541 S CB 0.447 63.603 63.200 -0.073 0.000 0.776 541 S HN 0.315 nan 8.310 nan 0.000 0.523 542 A N 0.955 123.728 122.820 -0.078 0.000 1.976 542 A HA 0.669 5.009 4.320 0.033 0.000 0.199 542 A C 0.750 178.303 177.584 -0.051 0.000 2.152 542 A CA 0.694 52.697 52.037 -0.057 0.000 1.086 542 A CB -0.226 18.741 19.000 -0.055 0.000 1.181 542 A HN 0.902 nan 8.150 nan 0.000 0.642 543 T N 0.000 114.517 114.554 -0.061 0.000 3.816 543 T HA 0.000 4.370 4.350 0.033 0.000 0.228 543 T CA 0.000 62.070 62.100 -0.050 0.000 1.349 543 T CB 0.000 68.840 68.868 -0.047 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658