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 1wbs_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGLRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLT QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPPL DATA SEQUENCE DQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.626 176.600 0.043 0.000 1.382 4 E CA 0.000 56.416 56.400 0.026 0.000 0.976 4 E CB 0.000 29.714 29.700 0.024 0.000 0.812 5 R N 2.584 123.124 120.500 0.067 0.000 2.489 5 R HA 0.187 4.531 4.340 0.008 0.000 0.287 5 R C -2.255 174.110 176.300 0.109 0.000 1.053 5 R CA -1.124 55.045 56.100 0.116 0.000 1.036 5 R CB 0.471 30.854 30.300 0.139 0.000 0.966 5 R HN -0.031 nan 8.270 nan 0.000 0.432 6 P HA 0.098 nan 4.420 nan 0.000 0.272 6 P C -0.778 176.557 177.300 0.057 0.000 1.230 6 P CA -0.261 62.818 63.100 -0.035 0.000 0.788 6 P CB 0.594 32.139 31.700 -0.259 0.000 0.949 7 T N 1.766 116.323 114.554 0.005 0.000 2.884 7 T HA 0.321 4.675 4.350 0.008 0.000 0.298 7 T C -0.142 174.581 174.700 0.038 0.000 0.998 7 T CA 0.362 62.525 62.100 0.105 0.000 1.124 7 T CB -0.271 68.636 68.868 0.065 0.000 0.931 7 T HN 0.086 nan 8.240 nan 0.000 0.531 8 F N 2.499 122.464 119.950 0.025 0.000 2.458 8 F HA 0.560 5.091 4.527 0.006 0.000 0.330 8 F C 0.017 175.889 175.800 0.120 0.000 1.082 8 F CA -1.245 56.762 58.000 0.012 0.000 0.995 8 F CB 1.106 40.078 39.000 -0.046 0.000 1.170 8 F HN 0.566 nan 8.300 nan 0.000 0.478 9 Y N -0.446 119.935 120.300 0.135 0.000 2.536 9 Y HA 0.825 5.379 4.550 0.006 0.000 0.347 9 Y C -0.885 175.103 175.900 0.147 0.000 1.000 9 Y CA -1.797 56.371 58.100 0.115 0.000 1.051 9 Y CB 1.164 39.660 38.460 0.061 0.000 1.259 9 Y HN 0.512 nan 8.280 nan 0.000 0.468 10 R N 1.839 122.439 120.500 0.168 0.000 2.540 10 R HA 0.546 4.891 4.340 0.008 0.000 0.287 10 R C -1.301 175.095 176.300 0.160 0.000 0.980 10 R CA -0.997 55.171 56.100 0.113 0.000 0.966 10 R CB 1.784 32.163 30.300 0.132 0.000 1.106 10 R HN 0.883 nan 8.270 nan 0.000 0.480 11 Q N 1.195 121.089 119.800 0.157 0.000 2.378 11 Q HA 0.119 4.463 4.340 0.008 0.000 0.262 11 Q C -1.821 174.310 176.000 0.218 0.000 0.978 11 Q CA -0.480 55.432 55.803 0.181 0.000 0.918 11 Q CB 2.185 31.022 28.738 0.165 0.000 1.415 11 Q HN 0.613 nan 8.270 nan 0.000 0.409 12 E N 4.176 124.482 120.200 0.176 0.000 2.174 12 E HA 0.508 4.862 4.350 0.008 0.000 0.282 12 E C -1.438 175.260 176.600 0.164 0.000 0.992 12 E CA -0.429 56.084 56.400 0.188 0.000 0.803 12 E CB 0.883 30.662 29.700 0.131 0.000 1.090 12 E HN 0.558 nan 8.360 nan 0.000 0.396 13 L N 4.867 126.222 121.223 0.220 0.000 2.446 13 L HA 0.321 4.665 4.340 0.008 0.000 0.268 13 L C -0.682 176.287 176.870 0.165 0.000 0.975 13 L CA -0.843 54.073 54.840 0.127 0.000 0.848 13 L CB 1.554 43.593 42.059 -0.032 0.000 1.225 13 L HN 0.652 nan 8.230 nan 0.000 0.410 14 N N 3.568 122.330 118.700 0.104 0.000 2.714 14 N HA -0.197 4.548 4.740 0.008 0.000 0.253 14 N C 0.215 175.787 175.510 0.103 0.000 1.024 14 N CA 0.669 53.775 53.050 0.093 0.000 0.726 14 N CB -0.603 37.938 38.487 0.090 0.000 0.908 14 N HN 0.646 nan 8.380 nan 0.000 0.542 15 K N -3.184 117.274 120.400 0.096 0.000 3.274 15 K HA -0.174 4.151 4.320 0.008 0.000 0.300 15 K C -0.541 176.114 176.600 0.092 0.000 1.230 15 K CA 1.345 57.680 56.287 0.080 0.000 0.884 15 K CB -1.940 30.591 32.500 0.051 0.000 1.242 15 K HN 0.561 nan 8.250 nan 0.000 0.467 16 T N 1.238 115.886 114.554 0.156 0.000 2.807 16 T HA 0.499 4.854 4.350 0.008 0.000 0.279 16 T C 0.375 175.209 174.700 0.224 0.000 0.993 16 T CA -0.769 61.421 62.100 0.150 0.000 0.970 16 T CB 1.667 70.673 68.868 0.230 0.000 0.950 16 T HN -0.046 nan 8.240 nan 0.000 0.441 17 I N 2.883 123.508 120.570 0.091 0.000 2.416 17 I HA 0.239 4.414 4.170 0.008 0.000 0.288 17 I C -0.649 175.520 176.117 0.086 0.000 1.051 17 I CA -0.793 60.590 61.300 0.138 0.000 1.375 17 I CB 0.491 38.538 38.000 0.079 0.000 1.407 17 I HN 0.684 nan 8.210 nan 0.000 0.516 18 W N 5.391 126.769 121.300 0.129 0.000 2.417 18 W HA 0.425 5.089 4.660 0.008 0.000 0.315 18 W C 0.295 176.857 176.519 0.072 0.000 1.045 18 W CA -0.481 56.978 57.345 0.190 0.000 1.221 18 W CB 1.014 30.556 29.460 0.137 0.000 1.309 18 W HN 0.392 nan 8.180 nan 0.000 0.453 19 E N 3.146 123.486 120.200 0.234 0.000 2.141 19 E HA 0.416 4.771 4.350 0.008 0.000 0.259 19 E C -0.891 175.714 176.600 0.009 0.000 0.883 19 E CA -0.516 55.942 56.400 0.096 0.000 0.744 19 E CB 1.379 31.158 29.700 0.133 0.000 1.150 19 E HN 0.371 nan 8.360 nan 0.000 0.420 20 V N 1.161 120.982 119.914 -0.155 0.000 3.001 20 V HA 0.686 4.810 4.120 0.008 0.000 0.314 20 V C -2.804 172.889 176.094 -0.669 0.000 1.099 20 V CA -2.964 59.087 62.300 -0.416 0.000 0.989 20 V CB 1.751 33.439 31.823 -0.224 0.000 1.040 20 V HN 0.387 nan 8.190 nan 0.000 0.434 21 P HA 0.181 nan 4.420 nan 0.000 0.267 21 P C 0.599 177.720 177.300 -0.298 0.000 1.200 21 P CA 0.218 62.744 63.100 -0.957 0.000 0.772 21 P CB 0.430 31.555 31.700 -0.957 0.000 0.855 22 E N 2.219 122.331 120.200 -0.147 0.000 2.219 22 E HA -0.277 4.077 4.350 0.008 0.000 0.198 22 E C 1.878 178.422 176.600 -0.093 0.000 0.998 22 E CA 0.976 57.386 56.400 0.017 0.000 0.818 22 E CB -0.184 29.472 29.700 -0.074 0.000 0.741 22 E HN 0.498 nan 8.360 nan 0.000 0.477 23 R N 0.520 120.841 120.500 -0.299 0.000 2.170 23 R HA -0.154 4.190 4.340 0.008 0.000 0.242 23 R C 0.101 176.141 176.300 -0.432 0.000 1.145 23 R CA 1.018 56.857 56.100 -0.435 0.000 0.984 23 R CB -0.509 29.390 30.300 -0.669 0.000 0.869 23 R HN 0.094 nan 8.270 nan 0.000 0.455 24 Y N 2.094 122.369 120.300 -0.042 0.000 2.383 24 Y HA 0.329 4.883 4.550 0.006 0.000 0.344 24 Y C 0.274 176.259 175.900 0.142 0.000 0.986 24 Y CA -0.692 57.415 58.100 0.013 0.000 1.175 24 Y CB 0.949 39.400 38.460 -0.015 0.000 1.152 24 Y HN 0.010 nan 8.280 nan 0.000 0.511 25 Q N 1.227 121.189 119.800 0.271 0.000 2.416 25 Q HA 0.334 4.679 4.340 0.008 0.000 0.279 25 Q C -0.173 175.955 176.000 0.213 0.000 1.101 25 Q CA -1.148 54.799 55.803 0.240 0.000 0.830 25 Q CB 1.647 30.498 28.738 0.188 0.000 1.402 25 Q HN 0.781 nan 8.270 nan 0.000 0.445 26 N N -0.258 118.531 118.700 0.149 0.000 2.738 26 N HA -0.222 4.522 4.740 0.008 0.000 0.249 26 N C -0.900 174.646 175.510 0.060 0.000 1.047 26 N CA -0.111 52.994 53.050 0.091 0.000 0.707 26 N CB -1.226 37.307 38.487 0.078 0.000 0.937 26 N HN 0.261 nan 8.380 nan 0.000 0.545 27 L N 0.470 121.718 121.223 0.041 0.000 2.490 27 L HA 0.251 4.596 4.340 0.008 0.000 0.274 27 L C 0.691 177.493 176.870 -0.114 0.000 1.201 27 L CA 1.042 55.835 54.840 -0.079 0.000 0.869 27 L CB 1.246 43.201 42.059 -0.174 0.000 1.123 27 L HN 0.263 nan 8.230 nan 0.000 0.484 28 S N 4.322 119.933 115.700 -0.149 0.000 2.720 28 S HA 0.558 5.032 4.470 0.008 0.000 0.278 28 S C -2.704 171.815 174.600 -0.134 0.000 1.172 28 S CA -1.304 56.831 58.200 -0.109 0.000 1.019 28 S CB 1.321 64.493 63.200 -0.046 0.000 1.049 28 S HN 0.249 nan 8.310 nan 0.000 0.483 29 P HA 0.048 nan 4.420 nan 0.000 0.262 29 P C 0.193 177.487 177.300 -0.010 0.000 1.182 29 P CA 0.067 63.122 63.100 -0.075 0.000 0.761 29 P CB 0.741 32.425 31.700 -0.028 0.000 0.795 30 V N 2.501 122.434 119.914 0.032 0.000 3.013 30 V HA 0.435 4.559 4.120 0.008 0.000 0.238 30 V C 0.950 177.123 176.094 0.131 0.000 1.161 30 V CA 1.395 63.749 62.300 0.091 0.000 1.170 30 V CB 0.160 32.055 31.823 0.120 0.000 0.917 30 V HN 0.805 nan 8.190 nan 0.000 0.478 31 G N -0.401 108.491 108.800 0.153 0.000 2.466 31 G HA2 0.561 4.525 3.960 0.008 0.000 0.291 31 G HA3 0.561 4.525 3.960 0.008 0.000 0.291 31 G C -1.217 173.770 174.900 0.145 0.000 1.460 31 G CA 0.346 45.524 45.100 0.129 0.000 0.791 31 G HN 0.525 nan 8.290 nan 0.000 0.505 32 S N -1.398 114.354 115.700 0.087 0.000 2.588 32 S HA 0.964 5.439 4.470 0.008 0.000 0.269 32 S C -0.116 174.499 174.600 0.025 0.000 1.157 32 S CA 0.245 58.494 58.200 0.083 0.000 0.824 32 S CB 1.753 65.005 63.200 0.087 0.000 1.126 32 S HN 2.434 nan 8.310 nan 0.000 0.464 33 G N -0.315 108.493 108.800 0.014 0.000 2.634 33 G HA2 0.699 4.663 3.960 0.008 0.000 0.309 33 G HA3 0.699 4.663 3.960 0.008 0.000 0.309 33 G C 0.581 175.443 174.900 -0.062 0.000 1.299 33 G CA -0.091 44.986 45.100 -0.039 0.000 0.798 33 G HN 1.408 nan 8.290 nan 0.000 0.490 34 A N -1.235 121.496 122.820 -0.149 0.000 1.972 34 A HA 0.088 4.412 4.320 0.008 0.000 0.219 34 A C 1.813 179.333 177.584 -0.107 0.000 1.169 34 A CA 1.864 53.786 52.037 -0.192 0.000 0.635 34 A CB -0.524 18.269 19.000 -0.345 0.000 0.810 34 A HN 0.569 nan 8.150 nan 0.000 0.446 35 Y N -1.063 119.226 120.300 -0.017 0.000 2.510 35 Y HA 0.402 4.956 4.550 0.007 0.000 0.273 35 Y C 1.372 177.228 175.900 -0.072 0.000 1.119 35 Y CA -0.101 57.979 58.100 -0.033 0.000 1.286 35 Y CB -0.020 38.421 38.460 -0.032 0.000 1.061 35 Y HN 0.362 nan 8.280 nan 0.000 0.542 36 G N -1.469 107.381 108.800 0.083 0.000 2.466 36 G HA2 0.467 4.431 3.960 0.008 0.000 0.291 36 G HA3 0.467 4.431 3.960 0.008 0.000 0.291 36 G C -1.449 173.476 174.900 0.041 0.000 1.460 36 G CA -0.798 44.305 45.100 0.005 0.000 0.791 36 G HN -0.148 nan 8.290 nan 0.000 0.505 37 S N -1.312 114.413 115.700 0.042 0.000 2.542 37 S HA 0.794 5.268 4.470 0.008 0.000 0.293 37 S C -0.606 174.216 174.600 0.370 0.000 1.089 37 S CA -0.632 57.693 58.200 0.208 0.000 0.961 37 S CB 1.994 65.357 63.200 0.272 0.000 1.062 37 S HN 0.828 nan 8.310 nan 0.000 0.483 38 V N 1.560 121.691 119.914 0.361 0.000 2.588 38 V HA 0.502 4.627 4.120 0.008 0.000 0.304 38 V C -0.594 175.569 176.094 0.115 0.000 1.042 38 V CA -0.627 61.844 62.300 0.285 0.000 0.877 38 V CB 1.420 33.361 31.823 0.195 0.000 0.996 38 V HN 1.028 nan 8.190 nan 0.000 0.425 39 C N 3.513 122.774 119.300 -0.065 0.000 2.507 39 C HA 0.859 5.323 4.460 0.008 0.000 0.319 39 C C 0.816 175.728 174.990 -0.130 0.000 1.208 39 C CA -0.742 58.117 59.018 -0.266 0.000 1.619 39 C CB 1.309 28.615 27.740 -0.724 0.000 2.230 39 C HN 1.030 nan 8.230 nan 0.000 0.492 40 A N 2.168 124.937 122.820 -0.085 0.000 2.351 40 A HA 0.838 5.162 4.320 0.008 0.000 0.257 40 A C 0.054 177.624 177.584 -0.023 0.000 1.087 40 A CA 0.290 52.308 52.037 -0.032 0.000 0.798 40 A CB 0.339 19.339 19.000 0.000 0.000 1.033 40 A HN 1.662 nan 8.150 nan 0.000 0.488 41 A N 0.249 123.093 122.820 0.040 0.000 2.586 41 A HA 0.632 4.956 4.320 0.008 0.000 0.290 41 A C -1.439 176.269 177.584 0.207 0.000 1.086 41 A CA -0.476 51.627 52.037 0.110 0.000 0.665 41 A CB 0.618 19.678 19.000 0.101 0.000 1.279 41 A HN 1.561 nan 8.150 nan 0.000 0.423 42 F N 1.416 121.422 119.950 0.094 0.000 2.411 42 F HA 0.557 5.088 4.527 0.007 0.000 0.352 42 F C -0.321 175.551 175.800 0.120 0.000 1.123 42 F CA -0.785 57.265 58.000 0.084 0.000 1.044 42 F CB 1.274 40.300 39.000 0.044 0.000 1.135 42 F HN 0.531 nan 8.300 nan 0.000 0.461 43 D N 4.074 124.178 120.400 -0.494 0.000 2.393 43 D HA 0.095 4.739 4.640 0.008 0.000 0.232 43 D C 1.235 177.023 176.300 -0.853 0.000 1.192 43 D CA 0.104 53.832 54.000 -0.453 0.000 0.882 43 D CB 1.146 41.845 40.800 -0.167 0.000 1.038 43 D HN 0.681 nan 8.370 nan 0.000 0.499 44 T N 1.251 115.438 114.554 -0.610 0.000 3.007 44 T HA -0.099 4.255 4.350 0.008 0.000 0.270 44 T C 1.493 176.032 174.700 -0.268 0.000 1.107 44 T CA 0.605 62.475 62.100 -0.383 0.000 1.118 44 T CB 0.076 68.894 68.868 -0.082 0.000 0.889 44 T HN 0.175 nan 8.240 nan 0.000 0.506 45 K N 1.497 121.719 120.400 -0.296 0.000 2.103 45 K HA 0.006 4.331 4.320 0.008 0.000 0.204 45 K C 2.563 179.068 176.600 -0.159 0.000 1.052 45 K CA 1.797 57.962 56.287 -0.203 0.000 0.945 45 K CB -0.587 31.785 32.500 -0.212 0.000 0.722 45 K HN 0.718 nan 8.250 nan 0.000 0.443 46 T N -3.809 110.629 114.554 -0.193 0.000 3.001 46 T HA 0.232 4.586 4.350 0.008 0.000 0.251 46 T C 1.318 175.946 174.700 -0.119 0.000 1.040 46 T CA 0.620 62.647 62.100 -0.123 0.000 0.985 46 T CB 0.532 69.344 68.868 -0.094 0.000 1.011 46 T HN 0.278 nan 8.240 nan 0.000 0.509 47 G N 1.499 110.153 108.800 -0.244 0.000 2.148 47 G HA2 -0.205 3.759 3.960 0.008 0.000 0.254 47 G HA3 -0.205 3.759 3.960 0.008 0.000 0.254 47 G C -0.127 174.730 174.900 -0.071 0.000 0.981 47 G CA 0.311 45.320 45.100 -0.150 0.000 0.670 47 G HN 0.637 nan 8.290 nan 0.000 0.528 48 L N -0.158 120.956 121.223 -0.182 0.000 2.325 48 L HA 0.575 4.919 4.340 0.008 0.000 0.279 48 L C 1.092 177.968 176.870 0.010 0.000 1.054 48 L CA -1.101 53.731 54.840 -0.012 0.000 0.804 48 L CB 1.149 43.204 42.059 -0.006 0.000 1.200 48 L HN 0.065 nan 8.230 nan 0.000 0.436 49 R N 1.837 122.428 120.500 0.151 0.000 2.316 49 R HA 0.365 4.709 4.340 0.008 0.000 0.314 49 R C -0.598 175.755 176.300 0.089 0.000 1.069 49 R CA -0.266 55.932 56.100 0.165 0.000 0.959 49 R CB 0.821 31.221 30.300 0.166 0.000 0.987 49 R HN 0.481 nan 8.270 nan 0.000 0.446 50 V N -0.522 119.429 119.914 0.062 0.000 2.960 50 V HA 0.912 5.036 4.120 0.008 0.000 0.315 50 V C -0.437 175.651 176.094 -0.010 0.000 1.087 50 V CA -1.216 61.088 62.300 0.007 0.000 0.982 50 V CB 2.050 33.868 31.823 -0.009 0.000 1.039 50 V HN 0.749 nan 8.190 nan 0.000 0.437 51 A N 2.432 125.224 122.820 -0.046 0.000 2.303 51 A HA 0.828 5.153 4.320 0.008 0.000 0.320 51 A C -0.613 176.932 177.584 -0.066 0.000 1.192 51 A CA -0.637 51.364 52.037 -0.061 0.000 0.821 51 A CB 1.330 20.270 19.000 -0.100 0.000 1.188 51 A HN 1.334 nan 8.150 nan 0.000 0.492 52 V N 3.019 122.922 119.914 -0.019 0.000 2.357 52 V HA 0.370 4.495 4.120 0.008 0.000 0.284 52 V C 0.176 176.397 176.094 0.212 0.000 1.018 52 V CA -0.584 61.755 62.300 0.065 0.000 0.841 52 V CB 1.258 33.174 31.823 0.156 0.000 0.991 52 V HN 0.892 nan 8.190 nan 0.000 0.437 53 K N 4.517 124.969 120.400 0.087 0.000 2.240 53 K HA 0.414 4.738 4.320 0.008 0.000 0.271 53 K C -0.290 176.241 176.600 -0.115 0.000 1.018 53 K CA -0.624 55.698 56.287 0.060 0.000 0.874 53 K CB 0.927 33.407 32.500 -0.035 0.000 1.098 53 K HN 0.634 nan 8.250 nan 0.000 0.458 54 K N 6.471 126.702 120.400 -0.282 0.000 2.253 54 K HA 0.215 4.540 4.320 0.008 0.000 0.277 54 K C -0.515 175.763 176.600 -0.535 0.000 1.053 54 K CA -0.530 55.262 56.287 -0.824 0.000 0.892 54 K CB 0.565 32.162 32.500 -1.504 0.000 1.102 54 K HN 0.618 nan 8.250 nan 0.000 0.469 55 L N 2.843 123.769 121.223 -0.495 0.000 2.456 55 L HA 0.078 4.423 4.340 0.008 0.000 0.272 55 L C 0.225 176.894 176.870 -0.335 0.000 1.189 55 L CA -0.084 54.553 54.840 -0.338 0.000 0.846 55 L CB 1.187 43.041 42.059 -0.341 0.000 1.111 55 L HN 0.630 nan 8.230 nan 0.000 0.475 56 S N 3.427 119.007 115.700 -0.200 0.000 2.430 56 S HA 0.283 4.757 4.470 0.008 0.000 0.289 56 S C -0.011 174.494 174.600 -0.159 0.000 1.143 56 S CA -0.668 57.431 58.200 -0.169 0.000 1.067 56 S CB 0.659 63.809 63.200 -0.084 0.000 0.964 56 S HN 0.581 nan 8.310 nan 0.000 0.485 57 R N 1.355 121.731 120.500 -0.206 0.000 3.188 57 R HA -0.133 4.211 4.340 0.008 0.000 0.247 57 R C -2.138 174.002 176.300 -0.267 0.000 0.918 57 R CA 0.219 56.193 56.100 -0.209 0.000 0.629 57 R CB -1.578 28.617 30.300 -0.176 0.000 1.087 57 R HN 0.512 nan 8.270 nan 0.000 0.462 58 P HA -0.155 nan 4.420 nan 0.000 0.222 58 P C 0.441 177.298 177.300 -0.738 0.000 1.147 58 P CA 1.408 64.092 63.100 -0.693 0.000 0.790 58 P CB 0.075 31.102 31.700 -1.121 0.000 0.780 59 F N -0.245 119.649 119.950 -0.094 0.000 2.791 59 F HA 0.243 4.775 4.527 0.007 0.000 0.308 59 F C 2.166 177.931 175.800 -0.058 0.000 1.138 59 F CA -0.718 57.250 58.000 -0.055 0.000 1.294 59 F CB -0.783 38.162 39.000 -0.092 0.000 0.975 59 F HN -0.089 nan 8.300 nan 0.000 0.512 60 Q N 0.573 120.359 119.800 -0.022 0.000 2.124 60 Q HA -0.061 4.284 4.340 0.008 0.000 0.202 60 Q C 0.622 176.599 176.000 -0.038 0.000 0.977 60 Q CA 1.439 57.186 55.803 -0.093 0.000 0.850 60 Q CB -0.149 28.425 28.738 -0.274 0.000 0.901 60 Q HN 0.375 nan 8.270 nan 0.000 0.429 61 S N -1.729 113.989 115.700 0.030 0.000 2.651 61 S HA 0.421 4.895 4.470 0.008 0.000 0.279 61 S C 0.679 175.394 174.600 0.193 0.000 1.148 61 S CA -0.890 57.383 58.200 0.123 0.000 0.837 61 S CB 0.672 63.978 63.200 0.176 0.000 1.138 61 S HN 0.161 nan 8.310 nan 0.000 0.478 62 I N 0.622 121.305 120.570 0.187 0.000 2.127 62 I HA -0.195 3.980 4.170 0.008 0.000 0.241 62 I C 1.984 178.160 176.117 0.099 0.000 1.075 62 I CA 1.579 63.012 61.300 0.221 0.000 1.334 62 I CB -0.542 37.596 38.000 0.231 0.000 1.040 62 I HN 0.588 nan 8.210 nan 0.000 0.405 63 I N 0.092 120.716 120.570 0.091 0.000 2.208 63 I HA -0.318 3.856 4.170 0.008 0.000 0.245 63 I C 2.455 178.500 176.117 -0.120 0.000 1.097 63 I CA 1.867 63.152 61.300 -0.025 0.000 1.363 63 I CB -0.775 37.220 38.000 -0.009 0.000 1.051 63 I HN 0.193 nan 8.210 nan 0.000 0.413 64 H N 0.044 119.079 119.070 -0.058 0.000 2.363 64 H HA 0.062 4.622 4.556 0.008 0.000 0.301 64 H C 2.275 177.522 175.328 -0.135 0.000 1.074 64 H CA 1.299 57.285 56.048 -0.104 0.000 1.354 64 H CB -0.491 29.235 29.762 -0.059 0.000 1.397 64 H HN 0.308 nan 8.280 nan 0.000 0.516 65 A N 1.038 123.919 122.820 0.101 0.000 1.908 65 A HA -0.250 4.075 4.320 0.008 0.000 0.218 65 A C 2.177 179.714 177.584 -0.080 0.000 1.181 65 A CA 1.958 54.111 52.037 0.193 0.000 0.627 65 A CB -0.468 18.770 19.000 0.397 0.000 0.818 65 A HN 0.376 nan 8.150 nan 0.000 0.445 66 K N -0.679 119.426 120.400 -0.493 0.000 2.057 66 K HA -0.155 4.170 4.320 0.008 0.000 0.206 66 K C 2.339 178.717 176.600 -0.369 0.000 1.050 66 K CA 1.441 57.194 56.287 -0.890 0.000 0.935 66 K CB -0.159 31.740 32.500 -1.001 0.000 0.715 66 K HN 0.429 nan 8.250 nan 0.000 0.439 67 R N 0.070 120.402 120.500 -0.281 0.000 2.096 67 R HA -0.099 4.245 4.340 0.008 0.000 0.235 67 R C 1.846 178.023 176.300 -0.205 0.000 1.127 67 R CA 2.092 58.044 56.100 -0.248 0.000 0.968 67 R CB -0.323 29.756 30.300 -0.369 0.000 0.861 67 R HN 0.146 nan 8.270 nan 0.000 0.440 68 T N -0.058 114.391 114.554 -0.174 0.000 2.674 68 T HA -0.195 4.159 4.350 0.008 0.000 0.265 68 T C 1.306 175.998 174.700 -0.014 0.000 1.039 68 T CA 1.561 63.581 62.100 -0.132 0.000 1.150 68 T CB -0.555 68.192 68.868 -0.201 0.000 0.864 68 T HN 0.348 nan 8.240 nan 0.000 0.427 69 Y N 2.328 122.586 120.300 -0.069 0.000 2.128 69 Y HA -0.180 4.375 4.550 0.007 0.000 0.284 69 Y C 2.696 178.481 175.900 -0.192 0.000 1.154 69 Y CA 1.656 59.710 58.100 -0.078 0.000 1.149 69 Y CB -0.350 38.073 38.460 -0.061 0.000 0.976 69 Y HN -0.005 nan 8.280 nan 0.000 0.505 70 R N 0.407 120.779 120.500 -0.214 0.000 2.083 70 R HA -0.254 4.091 4.340 0.008 0.000 0.237 70 R C 2.388 178.615 176.300 -0.122 0.000 1.137 70 R CA 2.136 58.165 56.100 -0.119 0.000 0.951 70 R CB -0.524 29.842 30.300 0.110 0.000 0.851 70 R HN 0.583 nan 8.270 nan 0.000 0.434 71 E N 0.024 120.147 120.200 -0.129 0.000 2.051 71 E HA -0.224 4.131 4.350 0.008 0.000 0.192 71 E C 2.012 178.538 176.600 -0.124 0.000 0.991 71 E CA 1.263 57.591 56.400 -0.121 0.000 0.799 71 E CB -0.103 29.513 29.700 -0.140 0.000 0.748 71 E HN 0.268 nan 8.360 nan 0.000 0.449 72 L N 1.413 122.549 121.223 -0.146 0.000 2.012 72 L HA -0.180 4.165 4.340 0.008 0.000 0.210 72 L C 2.295 179.084 176.870 -0.136 0.000 1.073 72 L CA 1.704 56.469 54.840 -0.126 0.000 0.748 72 L CB -0.585 41.425 42.059 -0.081 0.000 0.891 72 L HN 0.057 nan 8.230 nan 0.000 0.431 73 R N -0.684 119.652 120.500 -0.272 0.000 2.094 73 R HA -0.174 4.171 4.340 0.008 0.000 0.239 73 R C 2.191 178.478 176.300 -0.022 0.000 1.137 73 R CA 1.513 57.499 56.100 -0.190 0.000 0.943 73 R CB -1.393 28.661 30.300 -0.410 0.000 0.850 73 R HN 0.310 nan 8.270 nan 0.000 0.433 74 L N 0.709 121.900 121.223 -0.054 0.000 1.970 74 L HA -0.184 4.161 4.340 0.008 0.000 0.212 74 L C 2.311 179.150 176.870 -0.052 0.000 1.071 74 L CA 1.565 56.337 54.840 -0.112 0.000 0.751 74 L CB -0.981 41.034 42.059 -0.074 0.000 0.889 74 L HN 0.076 nan 8.230 nan 0.000 0.432 75 L N -0.545 120.656 121.223 -0.036 0.000 2.042 75 L HA -0.239 4.105 4.340 0.008 0.000 0.210 75 L C 2.451 179.352 176.870 0.052 0.000 1.076 75 L CA 1.668 56.504 54.840 -0.008 0.000 0.749 75 L CB -1.030 41.002 42.059 -0.045 0.000 0.893 75 L HN 0.291 nan 8.230 nan 0.000 0.432 76 K N -1.807 118.639 120.400 0.076 0.000 2.209 76 K HA -0.205 4.119 4.320 0.008 0.000 0.204 76 K C 2.036 178.722 176.600 0.144 0.000 1.048 76 K CA 1.143 57.526 56.287 0.159 0.000 0.940 76 K CB -0.163 32.441 32.500 0.173 0.000 0.729 76 K HN 0.354 nan 8.250 nan 0.000 0.451 77 H N 0.033 119.112 119.070 0.014 0.000 2.448 77 H HA 0.154 4.715 4.556 0.007 0.000 0.292 77 H C 0.236 175.604 175.328 0.067 0.000 1.035 77 H CA 0.488 56.537 56.048 0.002 0.000 1.349 77 H CB 0.336 29.993 29.762 -0.174 0.000 1.425 77 H HN -0.070 nan 8.280 nan 0.000 0.539 78 M N 1.840 121.498 119.600 0.096 0.000 2.156 78 M HA 0.170 4.654 4.480 0.008 0.000 0.345 78 M C -0.735 175.598 176.300 0.055 0.000 1.398 78 M CA 0.614 56.013 55.300 0.166 0.000 1.148 78 M CB 0.790 33.473 32.600 0.139 0.000 1.663 78 M HN 0.103 nan 8.290 nan 0.000 0.464 79 K N 3.088 123.494 120.400 0.011 0.000 2.646 79 K HA 0.404 4.728 4.320 0.008 0.000 0.210 79 K C -1.384 175.031 176.600 -0.309 0.000 1.020 79 K CA -0.390 55.842 56.287 -0.092 0.000 1.040 79 K CB 1.156 33.638 32.500 -0.031 0.000 1.253 79 K HN 0.628 nan 8.250 nan 0.000 0.532 80 H N -0.292 118.478 119.070 -0.500 0.000 3.038 80 H HA 0.123 4.683 4.556 0.007 0.000 0.362 80 H C 0.237 175.366 175.328 -0.332 0.000 1.167 80 H CA -0.442 55.238 56.048 -0.613 0.000 1.197 80 H CB 1.552 30.574 29.762 -1.233 0.000 1.840 80 H HN 0.376 nan 8.280 nan 0.000 0.540 81 E N 1.980 121.828 120.200 -0.586 0.000 2.171 81 E HA -0.190 4.165 4.350 0.008 0.000 0.197 81 E C 0.231 176.742 176.600 -0.149 0.000 0.997 81 E CA 1.539 57.750 56.400 -0.315 0.000 0.810 81 E CB 0.061 29.567 29.700 -0.323 0.000 0.738 81 E HN 0.572 nan 8.360 nan 0.000 0.467 82 N N -0.484 118.234 118.700 0.030 0.000 2.251 82 N HA 0.085 4.830 4.740 0.008 0.000 0.217 82 N C -1.226 174.288 175.510 0.007 0.000 1.124 82 N CA -0.282 52.787 53.050 0.030 0.000 0.843 82 N CB 1.236 39.740 38.487 0.028 0.000 1.024 82 N HN -0.158 nan 8.380 nan 0.000 0.501 83 V N 0.932 120.849 119.914 0.005 0.000 2.876 83 V HA 0.287 4.412 4.120 0.008 0.000 0.312 83 V C 0.166 176.247 176.094 -0.020 0.000 1.085 83 V CA -1.237 61.048 62.300 -0.026 0.000 0.945 83 V CB 2.634 34.428 31.823 -0.050 0.000 1.017 83 V HN 0.140 nan 8.190 nan 0.000 0.428 84 I N 2.650 123.219 120.570 -0.002 0.000 2.919 84 I HA 0.217 4.391 4.170 0.008 0.000 0.303 84 I C 0.760 176.896 176.117 0.032 0.000 1.221 84 I CA 0.882 62.191 61.300 0.015 0.000 1.444 84 I CB 0.397 38.401 38.000 0.006 0.000 1.331 84 I HN 0.809 nan 8.210 nan 0.000 0.572 85 G N 7.818 116.665 108.800 0.079 0.000 2.416 85 G HA2 0.434 4.399 3.960 0.008 0.000 0.329 85 G HA3 0.434 4.399 3.960 0.008 0.000 0.329 85 G C -0.911 174.038 174.900 0.082 0.000 1.173 85 G CA -0.773 44.383 45.100 0.094 0.000 0.929 85 G HN 0.643 nan 8.290 nan 0.000 0.475 86 L N 3.535 124.810 121.223 0.086 0.000 2.283 86 L HA 0.257 4.601 4.340 0.008 0.000 0.287 86 L C 0.987 177.947 176.870 0.150 0.000 1.073 86 L CA -0.475 54.400 54.840 0.058 0.000 0.822 86 L CB 0.888 42.980 42.059 0.055 0.000 1.186 86 L HN 0.579 nan 8.230 nan 0.000 0.436 87 L N 3.224 124.475 121.223 0.047 0.000 2.131 87 L HA 0.083 4.427 4.340 0.008 0.000 0.206 87 L C 0.170 177.181 176.870 0.235 0.000 1.087 87 L CA 0.805 55.704 54.840 0.098 0.000 0.767 87 L CB -0.035 41.985 42.059 -0.064 0.000 0.917 87 L HN 0.626 nan 8.230 nan 0.000 0.441 88 D N -1.966 118.430 120.400 -0.008 0.000 2.663 88 D HA 0.362 5.006 4.640 0.008 0.000 0.233 88 D C -1.665 174.374 176.300 -0.435 0.000 1.240 88 D CA -0.216 53.716 54.000 -0.114 0.000 0.774 88 D CB 2.484 43.447 40.800 0.271 0.000 1.443 88 D HN -0.280 nan 8.370 nan 0.000 0.441 89 V N 3.491 123.062 119.914 -0.571 0.000 2.760 89 V HA 0.918 5.043 4.120 0.008 0.000 0.309 89 V C -1.603 174.469 176.094 -0.037 0.000 1.077 89 V CA -0.456 61.615 62.300 -0.381 0.000 0.910 89 V CB 1.174 32.728 31.823 -0.449 0.000 1.008 89 V HN 0.518 nan 8.190 nan 0.000 0.424 90 F N 2.579 122.579 119.950 0.083 0.000 2.662 90 F HA 0.907 5.438 4.527 0.007 0.000 0.312 90 F C -0.731 175.261 175.800 0.321 0.000 1.113 90 F CA -0.681 57.438 58.000 0.198 0.000 0.951 90 F CB 1.757 40.896 39.000 0.232 0.000 1.344 90 F HN 0.561 nan 8.300 nan 0.000 0.462 91 T N 1.284 116.208 114.554 0.618 0.000 2.912 91 T HA 0.496 4.850 4.350 0.008 0.000 0.299 91 T C -2.348 172.507 174.700 0.258 0.000 1.052 91 T CA -1.831 60.594 62.100 0.542 0.000 0.996 91 T CB 1.946 71.160 68.868 0.578 0.000 1.070 91 T HN 0.570 nan 8.240 nan 0.000 0.465 92 P HA 0.184 nan 4.420 nan 0.000 0.233 92 P C 0.389 177.510 177.300 -0.298 0.000 1.167 92 P CA 0.054 62.778 63.100 -0.625 0.000 0.770 92 P CB -0.184 31.304 31.700 -0.354 0.000 0.837 93 A N 0.924 123.757 122.820 0.022 0.000 2.511 93 A HA 0.086 4.411 4.320 0.008 0.000 0.242 93 A C 1.227 178.855 177.584 0.073 0.000 1.069 93 A CA -0.058 52.038 52.037 0.098 0.000 0.763 93 A CB -0.042 19.130 19.000 0.287 0.000 1.001 93 A HN 0.066 nan 8.150 nan 0.000 0.498 94 R N 0.602 121.128 120.500 0.044 0.000 2.312 94 R HA 0.134 4.479 4.340 0.008 0.000 0.205 94 R C 0.148 176.500 176.300 0.087 0.000 0.904 94 R CA 0.850 56.984 56.100 0.057 0.000 1.052 94 R CB 0.116 30.430 30.300 0.024 0.000 1.014 94 R HN 0.853 nan 8.270 nan 0.000 0.503 95 S N -1.472 114.262 115.700 0.056 0.000 2.625 95 S HA 0.140 4.614 4.470 0.008 0.000 0.271 95 S C 0.248 174.654 174.600 -0.322 0.000 1.161 95 S CA -0.926 57.255 58.200 -0.032 0.000 0.820 95 S CB 1.150 64.327 63.200 -0.039 0.000 1.137 95 S HN -0.013 nan 8.310 nan 0.000 0.470 96 L N 1.326 122.161 121.223 -0.647 0.000 2.079 96 L HA 0.065 4.410 4.340 0.008 0.000 0.210 96 L C 2.130 178.809 176.870 -0.318 0.000 1.081 96 L CA 2.183 56.510 54.840 -0.856 0.000 0.752 96 L CB -1.246 40.434 42.059 -0.633 0.000 0.896 96 L HN 0.880 nan 8.230 nan 0.000 0.433 97 E N 0.160 120.245 120.200 -0.191 0.000 2.110 97 E HA -0.233 4.121 4.350 0.008 0.000 0.193 97 E C 1.783 178.345 176.600 -0.064 0.000 0.988 97 E CA 1.625 57.962 56.400 -0.104 0.000 0.804 97 E CB -0.218 29.439 29.700 -0.072 0.000 0.745 97 E HN 0.809 nan 8.360 nan 0.000 0.458 98 E N 0.054 120.231 120.200 -0.039 0.000 2.476 98 E HA -0.015 4.340 4.350 0.008 0.000 0.196 98 E C -0.257 176.388 176.600 0.075 0.000 1.029 98 E CA -0.454 55.949 56.400 0.005 0.000 0.896 98 E CB -0.088 29.617 29.700 0.009 0.000 1.012 98 E HN 0.093 nan 8.360 nan 0.000 0.475 99 F N 2.775 122.651 119.950 -0.124 0.000 2.519 99 F HA 0.178 4.709 4.527 0.007 0.000 0.375 99 F C 0.180 176.005 175.800 0.042 0.000 1.084 99 F CA -0.335 57.636 58.000 -0.047 0.000 1.147 99 F CB 0.366 39.248 39.000 -0.197 0.000 1.088 99 F HN -0.070 nan 8.300 nan 0.000 0.555 100 N N 3.277 121.883 118.700 -0.156 0.000 2.036 100 N HA 0.050 4.794 4.740 0.008 0.000 0.228 100 N C -1.200 174.218 175.510 -0.154 0.000 1.368 100 N CA -0.044 52.921 53.050 -0.143 0.000 0.846 100 N CB 0.593 39.052 38.487 -0.047 0.000 1.145 100 N HN 0.481 nan 8.380 nan 0.000 0.502 101 D N 0.457 120.788 120.400 -0.115 0.000 2.732 101 D HA 0.444 5.088 4.640 0.008 0.000 0.229 101 D C -0.746 175.592 176.300 0.064 0.000 1.152 101 D CA -0.268 53.671 54.000 -0.102 0.000 0.854 101 D CB 3.451 44.245 40.800 -0.010 0.000 1.590 101 D HN -0.335 nan 8.370 nan 0.000 0.468 102 V N 2.079 121.910 119.914 -0.139 0.000 2.577 102 V HA 0.409 4.534 4.120 0.008 0.000 0.303 102 V C -1.301 174.604 176.094 -0.315 0.000 1.042 102 V CA -0.735 61.548 62.300 -0.027 0.000 0.872 102 V CB 1.506 33.308 31.823 -0.035 0.000 0.998 102 V HN 0.416 nan 8.190 nan 0.000 0.423 103 Y N 4.452 124.494 120.300 -0.430 0.000 2.376 103 Y HA 0.758 5.312 4.550 0.007 0.000 0.340 103 Y C -0.200 175.299 175.900 -0.669 0.000 0.965 103 Y CA -0.865 56.838 58.100 -0.661 0.000 1.078 103 Y CB 1.938 39.652 38.460 -1.244 0.000 1.193 103 Y HN 0.439 nan 8.280 nan 0.000 0.452 104 L N 4.032 125.075 121.223 -0.300 0.000 2.362 104 L HA 0.788 5.133 4.340 0.008 0.000 0.275 104 L C -1.058 175.693 176.870 -0.198 0.000 0.998 104 L CA -1.075 53.610 54.840 -0.258 0.000 0.820 104 L CB 1.787 43.728 42.059 -0.197 0.000 1.270 104 L HN 0.290 nan 8.230 nan 0.000 0.415 105 V N 1.481 121.280 119.914 -0.192 0.000 2.540 105 V HA 0.686 4.810 4.120 0.008 0.000 0.302 105 V C -0.083 175.938 176.094 -0.121 0.000 1.035 105 V CA -0.321 61.891 62.300 -0.147 0.000 0.873 105 V CB 1.895 33.635 31.823 -0.138 0.000 0.992 105 V HN 0.855 nan 8.190 nan 0.000 0.428 106 T N 1.620 116.105 114.554 -0.114 0.000 2.804 106 T HA 0.445 4.800 4.350 0.008 0.000 0.290 106 T C -0.689 173.941 174.700 -0.116 0.000 1.099 106 T CA -0.579 61.456 62.100 -0.108 0.000 1.011 106 T CB 1.274 70.115 68.868 -0.045 0.000 1.291 106 T HN 0.750 nan 8.240 nan 0.000 0.523 107 H N 1.431 120.489 119.070 -0.020 0.000 2.928 107 H HA 0.178 4.739 4.556 0.008 0.000 0.338 107 H C 0.089 175.398 175.328 -0.031 0.000 1.047 107 H CA -0.169 55.871 56.048 -0.013 0.000 1.435 107 H CB 0.606 30.361 29.762 -0.011 0.000 1.428 107 H HN 0.277 nan 8.280 nan 0.000 0.590 108 L N 3.312 124.593 121.223 0.095 0.000 2.410 108 L HA -0.014 4.331 4.340 0.008 0.000 0.273 108 L C 1.379 178.271 176.870 0.036 0.000 1.152 108 L CA 0.339 55.202 54.840 0.038 0.000 0.855 108 L CB 0.585 42.672 42.059 0.046 0.000 1.129 108 L HN 0.719 nan 8.230 nan 0.000 0.463 109 M N 4.257 123.854 119.600 -0.005 0.000 2.085 109 M HA 0.176 4.661 4.480 0.008 0.000 0.258 109 M C 1.469 177.782 176.300 0.021 0.000 1.089 109 M CA 1.983 57.282 55.300 -0.001 0.000 1.123 109 M CB -0.424 32.161 32.600 -0.025 0.000 1.284 109 M HN 0.882 nan 8.290 nan 0.000 0.421 110 G N 0.128 108.948 108.800 0.033 0.000 4.886 110 G HA2 -0.310 3.654 3.960 0.008 0.000 0.305 110 G HA3 -0.310 3.654 3.960 0.008 0.000 0.305 110 G C 0.151 175.079 174.900 0.046 0.000 1.483 110 G CA 0.379 45.505 45.100 0.043 0.000 1.029 110 G HN 1.137 nan 8.290 nan 0.000 0.746 111 A N 1.767 124.605 122.820 0.030 0.000 2.301 111 A HA 0.646 4.970 4.320 0.008 0.000 0.298 111 A C 0.102 177.698 177.584 0.021 0.000 1.185 111 A CA 0.873 52.924 52.037 0.024 0.000 0.830 111 A CB 0.602 19.610 19.000 0.012 0.000 1.112 111 A HN 1.268 nan 8.150 nan 0.000 0.508 112 D N 1.183 121.599 120.400 0.025 0.000 2.506 112 D HA 0.321 4.966 4.640 0.008 0.000 0.254 112 D C 0.585 176.881 176.300 -0.006 0.000 1.089 112 D CA -0.772 53.237 54.000 0.015 0.000 1.050 112 D CB 0.457 41.282 40.800 0.041 0.000 1.221 112 D HN 0.179 nan 8.370 nan 0.000 0.589 113 L N 0.371 121.579 121.223 -0.025 0.000 2.217 113 L HA 0.013 4.357 4.340 0.008 0.000 0.211 113 L C 1.594 178.452 176.870 -0.019 0.000 1.107 113 L CA 1.491 56.311 54.840 -0.033 0.000 0.783 113 L CB -1.225 40.800 42.059 -0.057 0.000 0.919 113 L HN 0.559 nan 8.230 nan 0.000 0.442 114 N N 0.587 119.277 118.700 -0.015 0.000 2.069 114 N HA -0.255 4.490 4.740 0.008 0.000 0.191 114 N C 1.533 177.052 175.510 0.014 0.000 1.031 114 N CA 2.067 55.121 53.050 0.006 0.000 0.852 114 N CB -0.416 38.074 38.487 0.006 0.000 1.018 114 N HN 0.678 nan 8.380 nan 0.000 0.423 115 N N -0.091 118.615 118.700 0.010 0.000 2.396 115 N HA -0.109 4.635 4.740 0.008 0.000 0.180 115 N C 1.363 176.875 175.510 0.003 0.000 1.028 115 N CA 0.572 53.629 53.050 0.011 0.000 0.893 115 N CB -0.060 38.435 38.487 0.014 0.000 0.967 115 N HN 0.176 nan 8.380 nan 0.000 0.440 116 I N 1.522 122.089 120.570 -0.006 0.000 2.142 116 I HA -0.148 4.027 4.170 0.008 0.000 0.240 116 I C 2.527 178.637 176.117 -0.012 0.000 1.078 116 I CA 0.749 62.038 61.300 -0.019 0.000 1.343 116 I CB -1.156 36.825 38.000 -0.032 0.000 1.046 116 I HN 0.061 nan 8.210 nan 0.000 0.405 117 V N 0.891 120.805 119.914 0.000 0.000 2.667 117 V HA -0.169 3.955 4.120 0.008 0.000 0.252 117 V C 2.512 178.617 176.094 0.020 0.000 1.065 117 V CA 1.502 63.810 62.300 0.013 0.000 1.083 117 V CB -0.338 31.501 31.823 0.026 0.000 0.692 117 V HN 0.294 nan 8.190 nan 0.000 0.468 118 K N -0.495 119.918 120.400 0.022 0.000 2.167 118 K HA 0.032 4.357 4.320 0.008 0.000 0.203 118 K C 1.599 178.210 176.600 0.017 0.000 1.052 118 K CA 1.499 57.800 56.287 0.025 0.000 0.956 118 K CB -0.423 32.094 32.500 0.030 0.000 0.735 118 K HN 0.564 nan 8.250 nan 0.000 0.451 119 C N 0.858 120.164 119.300 0.010 0.000 3.125 119 C HA 0.230 4.695 4.460 0.008 0.000 0.284 119 C C 0.131 175.121 174.990 0.001 0.000 1.386 119 C CA -0.660 58.362 59.018 0.007 0.000 1.763 119 C CB -0.596 27.147 27.740 0.006 0.000 2.377 119 C HN 0.421 nan 8.230 nan 0.000 0.620 120 Q N -0.740 119.057 119.800 -0.004 0.000 2.522 120 Q HA 0.435 4.779 4.340 0.008 0.000 0.285 120 Q C -1.726 174.273 176.000 -0.001 0.000 0.982 120 Q CA -0.795 55.002 55.803 -0.009 0.000 0.805 120 Q CB 1.265 29.982 28.738 -0.035 0.000 1.457 120 Q HN 0.175 nan 8.270 nan 0.000 0.394 121 K N 1.537 121.946 120.400 0.015 0.000 2.339 121 K HA 0.369 4.693 4.320 0.008 0.000 0.286 121 K C -0.759 175.884 176.600 0.071 0.000 1.050 121 K CA -0.022 56.293 56.287 0.046 0.000 0.956 121 K CB 0.533 33.069 32.500 0.060 0.000 0.990 121 K HN 0.388 nan 8.250 nan 0.000 0.475 122 L N 3.186 124.474 121.223 0.107 0.000 2.313 122 L HA 0.259 4.604 4.340 0.008 0.000 0.283 122 L C 0.772 177.808 176.870 0.277 0.000 1.013 122 L CA -0.819 54.155 54.840 0.223 0.000 0.816 122 L CB 1.621 43.757 42.059 0.128 0.000 1.236 122 L HN 0.760 nan 8.230 nan 0.000 0.419 123 T N -2.610 112.184 114.554 0.400 0.000 2.788 123 T HA 0.057 4.412 4.350 0.008 0.000 0.280 123 T C 0.745 175.516 174.700 0.117 0.000 0.984 123 T CA -0.486 61.693 62.100 0.131 0.000 0.972 123 T CB 1.398 70.237 68.868 -0.048 0.000 1.039 123 T HN 0.625 nan 8.240 nan 0.000 0.530 124 D N -0.254 120.196 120.400 0.083 0.000 2.144 124 D HA -0.145 4.500 4.640 0.008 0.000 0.199 124 D C 1.643 177.996 176.300 0.090 0.000 0.984 124 D CA 1.360 55.433 54.000 0.122 0.000 0.834 124 D CB -0.360 40.513 40.800 0.122 0.000 0.955 124 D HN 0.754 nan 8.370 nan 0.000 0.465 125 D N -1.354 119.050 120.400 0.006 0.000 2.123 125 D HA -0.182 4.462 4.640 0.008 0.000 0.196 125 D C 1.715 178.061 176.300 0.077 0.000 0.992 125 D CA 1.385 55.388 54.000 0.004 0.000 0.833 125 D CB -0.149 40.590 40.800 -0.101 0.000 0.954 125 D HN 0.455 nan 8.370 nan 0.000 0.455 126 H N -1.175 117.975 119.070 0.134 0.000 2.319 126 H HA -0.070 4.490 4.556 0.008 0.000 0.299 126 H C 2.248 177.667 175.328 0.151 0.000 1.092 126 H CA 1.291 57.428 56.048 0.148 0.000 1.302 126 H CB 0.056 29.884 29.762 0.110 0.000 1.373 126 H HN 0.029 nan 8.280 nan 0.000 0.497 127 V N 0.934 121.008 119.914 0.266 0.000 2.295 127 V HA -0.281 3.843 4.120 0.008 0.000 0.246 127 V C 2.188 178.438 176.094 0.260 0.000 1.049 127 V CA 1.813 64.257 62.300 0.239 0.000 1.024 127 V CB -0.569 31.404 31.823 0.250 0.000 0.648 127 V HN 0.474 nan 8.190 nan 0.000 0.447 128 Q N -0.996 118.908 119.800 0.174 0.000 2.045 128 Q HA -0.265 4.080 4.340 0.008 0.000 0.206 128 Q C 2.212 178.355 176.000 0.239 0.000 0.991 128 Q CA 2.324 58.189 55.803 0.104 0.000 0.851 128 Q CB -0.347 28.379 28.738 -0.020 0.000 0.911 128 Q HN 0.621 nan 8.270 nan 0.000 0.418 129 F N 0.955 120.816 119.950 -0.150 0.000 2.146 129 F HA -0.117 4.414 4.527 0.007 0.000 0.298 129 F C 1.805 177.526 175.800 -0.130 0.000 1.096 129 F CA 1.066 58.794 58.000 -0.454 0.000 1.275 129 F CB -0.283 38.451 39.000 -0.444 0.000 1.008 129 F HN -0.030 nan 8.300 nan 0.000 0.480 130 L N -0.411 120.776 121.223 -0.059 0.000 1.994 130 L HA -0.254 4.090 4.340 0.008 0.000 0.208 130 L C 2.439 179.243 176.870 -0.109 0.000 1.071 130 L CA 0.863 55.617 54.840 -0.143 0.000 0.745 130 L CB -0.714 41.332 42.059 -0.021 0.000 0.892 130 L HN 0.076 nan 8.230 nan 0.000 0.431 131 I N -1.024 119.577 120.570 0.052 0.000 2.315 131 I HA -0.303 3.871 4.170 0.008 0.000 0.248 131 I C 2.484 178.535 176.117 -0.108 0.000 1.117 131 I CA 1.458 62.807 61.300 0.081 0.000 1.404 131 I CB -1.303 36.895 38.000 0.330 0.000 1.071 131 I HN 0.261 nan 8.210 nan 0.000 0.419 132 Y N 2.275 122.387 120.300 -0.313 0.000 2.114 132 Y HA -0.309 4.246 4.550 0.007 0.000 0.282 132 Y C 2.734 178.389 175.900 -0.407 0.000 1.165 132 Y CA 2.043 59.744 58.100 -0.665 0.000 1.148 132 Y CB -0.381 37.796 38.460 -0.471 0.000 0.972 132 Y HN 0.240 nan 8.280 nan 0.000 0.504 133 Q N -0.105 119.447 119.800 -0.413 0.000 2.084 133 Q HA -0.165 4.180 4.340 0.008 0.000 0.202 133 Q C 2.337 178.129 176.000 -0.346 0.000 0.978 133 Q CA 2.067 57.615 55.803 -0.425 0.000 0.844 133 Q CB -0.211 28.259 28.738 -0.446 0.000 0.898 133 Q HN 0.583 nan 8.270 nan 0.000 0.426 134 I N 0.583 120.983 120.570 -0.284 0.000 2.163 134 I HA -0.309 3.866 4.170 0.008 0.000 0.243 134 I C 2.164 178.129 176.117 -0.252 0.000 1.085 134 I CA 1.176 62.341 61.300 -0.225 0.000 1.347 134 I CB -0.298 37.606 38.000 -0.160 0.000 1.044 134 I HN 0.201 nan 8.210 nan 0.000 0.408 135 L N 0.162 121.207 121.223 -0.297 0.000 2.131 135 L HA -0.195 4.149 4.340 0.008 0.000 0.210 135 L C 2.776 179.450 176.870 -0.327 0.000 1.092 135 L CA 1.190 55.859 54.840 -0.285 0.000 0.759 135 L CB -0.525 41.342 42.059 -0.320 0.000 0.903 135 L HN 0.238 nan 8.230 nan 0.000 0.435 136 R N 0.188 120.416 120.500 -0.453 0.000 2.066 136 R HA -0.119 4.225 4.340 0.008 0.000 0.232 136 R C 2.293 178.425 176.300 -0.279 0.000 1.131 136 R CA 1.406 57.290 56.100 -0.360 0.000 0.955 136 R CB -0.447 29.566 30.300 -0.478 0.000 0.851 136 R HN 0.347 nan 8.270 nan 0.000 0.432 137 G N 1.130 109.752 108.800 -0.298 0.000 2.446 137 G HA2 -0.238 3.727 3.960 0.008 0.000 0.217 137 G HA3 -0.238 3.727 3.960 0.008 0.000 0.217 137 G C 1.226 175.924 174.900 -0.335 0.000 1.168 137 G CA 0.420 45.278 45.100 -0.402 0.000 0.771 137 G HN 0.179 nan 8.290 nan 0.000 0.551 138 L N 0.886 121.922 121.223 -0.312 0.000 2.046 138 L HA 0.025 4.370 4.340 0.008 0.000 0.208 138 L C 2.674 179.307 176.870 -0.395 0.000 1.077 138 L CA 1.774 56.347 54.840 -0.445 0.000 0.747 138 L CB -0.782 41.026 42.059 -0.419 0.000 0.896 138 L HN 0.276 nan 8.230 nan 0.000 0.432 139 K N -1.476 118.802 120.400 -0.203 0.000 2.032 139 K HA -0.284 4.040 4.320 0.008 0.000 0.209 139 K C 2.348 178.919 176.600 -0.049 0.000 1.048 139 K CA 1.913 58.160 56.287 -0.067 0.000 0.927 139 K CB -0.408 32.073 32.500 -0.030 0.000 0.712 139 K HN 0.271 nan 8.250 nan 0.000 0.441 140 Y N 2.037 122.182 120.300 -0.259 0.000 2.114 140 Y HA -0.249 4.306 4.550 0.008 0.000 0.284 140 Y C 2.042 177.859 175.900 -0.138 0.000 1.143 140 Y CA 2.234 60.192 58.100 -0.237 0.000 1.135 140 Y CB -0.294 37.825 38.460 -0.569 0.000 0.980 140 Y HN 0.211 nan 8.280 nan 0.000 0.499 141 I N -2.124 118.407 120.570 -0.064 0.000 2.252 141 I HA -0.259 3.915 4.170 0.008 0.000 0.245 141 I C 2.021 178.140 176.117 0.004 0.000 1.102 141 I CA 2.006 63.270 61.300 -0.061 0.000 1.385 141 I CB -0.998 37.003 38.000 0.001 0.000 1.064 141 I HN 0.237 nan 8.210 nan 0.000 0.414 142 H N 1.460 120.509 119.070 -0.036 0.000 2.421 142 H HA -0.115 4.445 4.556 0.008 0.000 0.298 142 H C 2.619 177.927 175.328 -0.033 0.000 1.087 142 H CA 1.240 57.279 56.048 -0.014 0.000 1.330 142 H CB 0.032 29.798 29.762 0.007 0.000 1.388 142 H HN 0.585 nan 8.280 nan 0.000 0.526 143 S N 0.557 116.286 115.700 0.048 0.000 2.442 143 S HA -0.059 4.416 4.470 0.008 0.000 0.236 143 S C 2.002 176.588 174.600 -0.023 0.000 1.007 143 S CA 0.673 58.869 58.200 -0.006 0.000 0.965 143 S CB 0.030 63.199 63.200 -0.051 0.000 0.773 143 S HN 0.413 nan 8.310 nan 0.000 0.504 144 A N 0.823 123.616 122.820 -0.045 0.000 2.307 144 A HA 0.273 4.598 4.320 0.008 0.000 0.218 144 A C 0.541 178.183 177.584 0.097 0.000 1.228 144 A CA 0.176 52.223 52.037 0.017 0.000 0.857 144 A CB -0.372 18.594 19.000 -0.056 0.000 0.897 144 A HN 0.405 nan 8.150 nan 0.000 0.495 145 D N -0.745 119.699 120.400 0.072 0.000 2.837 145 D HA -0.149 4.495 4.640 0.008 0.000 0.230 145 D C -0.449 175.915 176.300 0.107 0.000 1.152 145 D CA 0.950 54.990 54.000 0.067 0.000 0.736 145 D CB -1.036 39.781 40.800 0.028 0.000 1.084 145 D HN 0.534 nan 8.370 nan 0.000 0.429 146 I N 1.094 121.742 120.570 0.129 0.000 2.336 146 I HA 0.352 4.526 4.170 0.008 0.000 0.292 146 I C 0.764 177.004 176.117 0.204 0.000 0.991 146 I CA -0.574 60.804 61.300 0.130 0.000 1.227 146 I CB 1.415 39.443 38.000 0.046 0.000 1.366 146 I HN -0.126 nan 8.210 nan 0.000 0.466 147 I N 5.164 125.842 120.570 0.180 0.000 2.404 147 I HA 0.210 4.384 4.170 0.008 0.000 0.293 147 I C 1.085 177.311 176.117 0.183 0.000 0.992 147 I CA -0.619 60.823 61.300 0.238 0.000 1.149 147 I CB 1.755 39.889 38.000 0.223 0.000 1.315 147 I HN 0.674 nan 8.210 nan 0.000 0.446 148 H N 6.551 125.696 119.070 0.126 0.000 2.307 148 H HA 0.011 4.571 4.556 0.007 0.000 0.303 148 H C 1.101 176.444 175.328 0.025 0.000 1.073 148 H CA 2.040 58.122 56.048 0.057 0.000 1.338 148 H CB 0.461 30.247 29.762 0.039 0.000 1.389 148 H HN 0.641 nan 8.280 nan 0.000 0.503 149 R N -1.057 119.581 120.500 0.231 0.000 3.746 149 R HA -0.186 4.159 4.340 0.008 0.000 0.465 149 R C -0.243 176.132 176.300 0.126 0.000 0.725 149 R CA 1.436 57.575 56.100 0.065 0.000 1.545 149 R CB -1.417 28.815 30.300 -0.113 0.000 2.197 149 R HN 0.327 nan 8.270 nan 0.000 0.438 150 D N 0.453 121.085 120.400 0.386 0.000 2.908 150 D HA 0.265 4.909 4.640 0.008 0.000 0.361 150 D C -0.630 175.780 176.300 0.183 0.000 1.416 150 D CA -0.174 53.999 54.000 0.289 0.000 0.796 150 D CB 0.355 41.311 40.800 0.260 0.000 1.185 150 D HN 0.097 nan 8.370 nan 0.000 0.451 151 L N 1.960 123.154 121.223 -0.048 0.000 2.410 151 L HA 0.260 4.604 4.340 0.008 0.000 0.273 151 L C 0.336 177.096 176.870 -0.184 0.000 1.144 151 L CA 0.494 55.145 54.840 -0.316 0.000 0.863 151 L CB 0.346 42.247 42.059 -0.262 0.000 1.140 151 L HN 0.170 nan 8.230 nan 0.000 0.463 152 K N 2.448 122.670 120.400 -0.298 0.000 2.625 152 K HA 0.358 4.683 4.320 0.008 0.000 0.284 152 K C -2.814 173.535 176.600 -0.419 0.000 0.984 152 K CA -1.466 54.491 56.287 -0.551 0.000 0.865 152 K CB 1.162 33.360 32.500 -0.502 0.000 1.468 152 K HN -0.059 nan 8.250 nan 0.000 0.407 153 P HA -0.277 nan 4.420 nan 0.000 0.217 153 P C 1.238 178.459 177.300 -0.132 0.000 1.151 153 P CA 2.162 65.119 63.100 -0.240 0.000 0.849 153 P CB 0.066 31.655 31.700 -0.185 0.000 0.787 154 S N -2.359 113.270 115.700 -0.120 0.000 2.515 154 S HA -0.032 4.442 4.470 0.008 0.000 0.231 154 S C 1.462 176.089 174.600 0.044 0.000 0.987 154 S CA 0.736 58.919 58.200 -0.029 0.000 0.936 154 S CB -0.906 62.264 63.200 -0.050 0.000 0.766 154 S HN 0.062 nan 8.310 nan 0.000 0.528 155 N N 1.063 119.761 118.700 -0.004 0.000 2.251 155 N HA 0.370 5.114 4.740 0.008 0.000 0.217 155 N C -0.930 174.571 175.510 -0.014 0.000 1.124 155 N CA 0.107 53.184 53.050 0.045 0.000 0.843 155 N CB 0.345 38.864 38.487 0.053 0.000 1.024 155 N HN 0.467 nan 8.380 nan 0.000 0.501 156 L N 0.722 121.922 121.223 -0.039 0.000 2.377 156 L HA 0.565 4.910 4.340 0.008 0.000 0.270 156 L C -0.214 176.632 176.870 -0.039 0.000 0.991 156 L CA -0.853 53.950 54.840 -0.063 0.000 0.851 156 L CB 1.717 43.716 42.059 -0.100 0.000 1.218 156 L HN -0.120 nan 8.230 nan 0.000 0.420 157 A N 3.898 126.696 122.820 -0.037 0.000 2.363 157 A HA 0.734 5.059 4.320 0.008 0.000 0.270 157 A C -0.348 177.208 177.584 -0.047 0.000 1.121 157 A CA -0.298 51.721 52.037 -0.029 0.000 0.800 157 A CB 0.808 19.790 19.000 -0.030 0.000 1.052 157 A HN 0.423 nan 8.150 nan 0.000 0.493 158 V N 4.169 124.062 119.914 -0.035 0.000 2.577 158 V HA 0.306 4.430 4.120 0.008 0.000 0.303 158 V C -0.229 175.853 176.094 -0.020 0.000 1.042 158 V CA -0.972 61.305 62.300 -0.040 0.000 0.872 158 V CB 1.593 33.391 31.823 -0.042 0.000 0.998 158 V HN 1.112 nan 8.190 nan 0.000 0.423 159 N N 3.271 121.962 118.700 -0.015 0.000 2.495 159 N HA 0.262 5.006 4.740 0.008 0.000 0.294 159 N C 0.593 176.112 175.510 0.015 0.000 1.276 159 N CA -0.557 52.493 53.050 0.000 0.000 0.973 159 N CB 0.661 39.146 38.487 -0.003 0.000 1.143 159 N HN 0.538 nan 8.380 nan 0.000 0.589 160 E N -1.289 118.924 120.200 0.021 0.000 2.358 160 E HA 0.004 4.359 4.350 0.008 0.000 0.195 160 E C -0.169 176.458 176.600 0.044 0.000 1.010 160 E CA 0.828 57.242 56.400 0.025 0.000 0.856 160 E CB -0.126 29.587 29.700 0.022 0.000 0.795 160 E HN 0.526 nan 8.360 nan 0.000 0.504 161 D N -0.323 120.113 120.400 0.060 0.000 2.336 161 D HA 0.066 4.710 4.640 0.008 0.000 0.228 161 D C -0.061 176.346 176.300 0.178 0.000 1.120 161 D CA -0.003 54.055 54.000 0.096 0.000 0.839 161 D CB 0.160 41.011 40.800 0.084 0.000 0.932 161 D HN 0.097 nan 8.370 nan 0.000 0.509 162 C N 1.302 120.687 119.300 0.142 0.000 4.326 162 C HA -0.189 4.275 4.460 0.008 0.000 0.284 162 C C 0.533 175.593 174.990 0.117 0.000 1.419 162 C CA 0.110 59.232 59.018 0.172 0.000 1.920 162 C CB -2.156 25.788 27.740 0.339 0.000 1.306 162 C HN 0.382 nan 8.230 nan 0.000 0.786 163 E N -0.046 120.200 120.200 0.078 0.000 2.289 163 E HA 0.497 4.852 4.350 0.008 0.000 0.278 163 E C -0.085 176.450 176.600 -0.108 0.000 1.032 163 E CA -0.026 56.353 56.400 -0.034 0.000 0.854 163 E CB 1.038 30.750 29.700 0.019 0.000 1.046 163 E HN 0.592 nan 8.360 nan 0.000 0.409 164 L N 2.728 123.839 121.223 -0.186 0.000 2.365 164 L HA 0.503 4.847 4.340 0.008 0.000 0.273 164 L C -1.189 175.598 176.870 -0.138 0.000 1.000 164 L CA -0.590 54.151 54.840 -0.164 0.000 0.819 164 L CB 1.112 43.043 42.059 -0.214 0.000 1.284 164 L HN 0.394 nan 8.230 nan 0.000 0.418 165 K N 5.330 125.668 120.400 -0.104 0.000 2.378 165 K HA 0.542 4.866 4.320 0.008 0.000 0.252 165 K C -1.262 175.297 176.600 -0.068 0.000 0.931 165 K CA -0.641 55.596 56.287 -0.082 0.000 0.794 165 K CB 2.475 34.933 32.500 -0.070 0.000 1.181 165 K HN 0.530 nan 8.250 nan 0.000 0.425 166 I N 5.568 126.103 120.570 -0.058 0.000 2.371 166 I HA 0.225 4.399 4.170 0.008 0.000 0.290 166 I C 0.056 176.187 176.117 0.023 0.000 1.028 166 I CA -0.529 60.749 61.300 -0.037 0.000 1.345 166 I CB 0.434 38.406 38.000 -0.047 0.000 1.407 166 I HN 0.352 nan 8.210 nan 0.000 0.501 167 L N 3.623 124.884 121.223 0.064 0.000 2.332 167 L HA 0.744 5.088 4.340 0.008 0.000 0.242 167 L C -1.493 175.503 176.870 0.210 0.000 1.127 167 L CA -0.626 54.268 54.840 0.090 0.000 0.948 167 L CB 1.716 43.781 42.059 0.010 0.000 1.553 167 L HN 0.396 nan 8.230 nan 0.000 0.419 168 D N -0.054 120.418 120.400 0.120 0.000 2.476 168 D HA 0.282 4.927 4.640 0.008 0.000 0.251 168 D C -0.851 175.541 176.300 0.154 0.000 1.291 168 D CA -0.258 53.830 54.000 0.146 0.000 0.939 168 D CB 1.178 41.966 40.800 -0.019 0.000 1.221 168 D HN 0.444 nan 8.370 nan 0.000 0.567 169 F N 2.301 122.277 119.950 0.044 0.000 2.664 169 F HA 0.366 4.897 4.527 0.007 0.000 0.301 169 F C 1.029 176.849 175.800 0.033 0.000 1.126 169 F CA -0.693 57.324 58.000 0.028 0.000 1.373 169 F CB 0.087 39.098 39.000 0.018 0.000 1.042 169 F HN 0.361 nan 8.300 nan 0.000 0.535 170 G N 1.301 110.253 108.800 0.253 0.000 2.334 170 G HA2 0.303 4.268 3.960 0.008 0.000 0.261 170 G HA3 0.303 4.268 3.960 0.008 0.000 0.261 170 G C 0.403 175.427 174.900 0.207 0.000 1.257 170 G CA -0.241 44.965 45.100 0.176 0.000 0.935 170 G HN 0.410 nan 8.290 nan 0.000 0.480 171 L N 1.562 122.878 121.223 0.156 0.000 3.016 171 L HA 0.430 4.775 4.340 0.008 0.000 0.267 171 L C 1.082 177.982 176.870 0.049 0.000 1.182 171 L CA -0.015 54.922 54.840 0.162 0.000 0.997 171 L CB 0.147 42.281 42.059 0.125 0.000 1.354 171 L HN 0.620 nan 8.230 nan 0.000 0.569 172 A N 0.076 122.874 122.820 -0.036 0.000 2.485 172 A HA 0.684 5.008 4.320 0.008 0.000 0.292 172 A C -0.643 176.700 177.584 -0.401 0.000 1.147 172 A CA -0.648 51.192 52.037 -0.328 0.000 0.750 172 A CB 1.311 20.185 19.000 -0.210 0.000 1.331 172 A HN 0.135 nan 8.150 nan 0.000 0.419 173 R N 0.329 120.479 120.500 -0.583 0.000 2.543 173 R HA 0.105 4.449 4.340 0.008 0.000 0.277 173 R C -0.319 175.966 176.300 -0.025 0.000 1.074 173 R CA -0.167 55.787 56.100 -0.243 0.000 1.076 173 R CB 0.166 30.337 30.300 -0.216 0.000 0.993 173 R HN 0.800 nan 8.270 nan 0.000 0.459 174 H N 4.264 123.349 119.070 0.024 0.000 2.966 174 H HA 0.042 4.602 4.556 0.008 0.000 0.217 174 H C -0.326 174.999 175.328 -0.006 0.000 1.906 174 H CA 0.178 56.231 56.048 0.009 0.000 1.351 174 H CB -0.514 29.264 29.762 0.027 0.000 1.722 174 H HN 0.680 nan 8.280 nan 0.000 0.562 175 T N -1.638 112.899 114.554 -0.029 0.000 2.770 175 T HA 0.025 4.379 4.350 0.008 0.000 0.281 175 T C 1.283 175.975 174.700 -0.014 0.000 0.981 175 T CA -0.808 61.286 62.100 -0.010 0.000 0.955 175 T CB 1.234 70.079 68.868 -0.039 0.000 1.060 175 T HN 0.211 nan 8.240 nan 0.000 0.531 176 D N -0.020 120.382 120.400 0.003 0.000 2.144 176 D HA -0.072 4.572 4.640 0.008 0.000 0.200 176 D C 1.704 178.003 176.300 -0.001 0.000 0.978 176 D CA 1.326 55.333 54.000 0.013 0.000 0.833 176 D CB -0.446 40.352 40.800 -0.004 0.000 0.961 176 D HN 0.802 nan 8.370 nan 0.000 0.470 177 D N 1.096 121.481 120.400 -0.025 0.000 2.104 177 D HA -0.206 4.438 4.640 0.008 0.000 0.194 177 D C 1.995 178.262 176.300 -0.056 0.000 0.994 177 D CA 1.723 55.703 54.000 -0.033 0.000 0.830 177 D CB -0.016 40.759 40.800 -0.042 0.000 0.959 177 D HN 0.375 nan 8.370 nan 0.000 0.452 178 E N -0.699 119.444 120.200 -0.095 0.000 2.204 178 E HA -0.163 4.192 4.350 0.008 0.000 0.194 178 E C 1.666 178.169 176.600 -0.162 0.000 0.989 178 E CA 0.876 57.187 56.400 -0.148 0.000 0.824 178 E CB -0.200 29.374 29.700 -0.210 0.000 0.756 178 E HN 0.292 nan 8.360 nan 0.000 0.477 179 M N 1.362 120.894 119.600 -0.113 0.000 2.495 179 M HA 0.135 4.620 4.480 0.008 0.000 0.237 179 M C -0.029 176.276 176.300 0.008 0.000 1.131 179 M CA 0.424 55.674 55.300 -0.083 0.000 1.032 179 M CB 0.347 32.947 32.600 -0.000 0.000 1.513 179 M HN -0.046 nan 8.290 nan 0.000 0.488 180 T N 0.986 115.558 114.554 0.030 0.000 2.845 180 T HA 0.578 4.932 4.350 0.008 0.000 0.288 180 T C 0.695 175.422 174.700 0.046 0.000 0.980 180 T CA 0.477 62.632 62.100 0.091 0.000 1.071 180 T CB 1.606 70.510 68.868 0.059 0.000 0.941 180 T HN 0.646 nan 8.240 nan 0.000 0.487 181 G N 1.991 110.850 108.800 0.098 0.000 2.545 181 G HA2 -0.220 3.744 3.960 0.008 0.000 0.216 181 G HA3 -0.220 3.744 3.960 0.008 0.000 0.216 181 G C -0.822 174.188 174.900 0.183 0.000 1.314 181 G CA -0.614 44.564 45.100 0.129 0.000 0.906 181 G HN 0.739 nan 8.290 nan 0.000 0.563 182 Y N 1.703 122.061 120.300 0.096 0.000 2.632 182 Y HA 0.484 5.039 4.550 0.007 0.000 0.336 182 Y C 0.802 176.725 175.900 0.038 0.000 1.237 182 Y CA -0.035 58.205 58.100 0.233 0.000 1.595 182 Y CB -0.089 38.517 38.460 0.243 0.000 1.508 182 Y HN 1.122 nan 8.280 nan 0.000 0.480 183 V N 1.381 120.998 119.914 -0.496 0.000 2.686 183 V HA 0.716 4.841 4.120 0.008 0.000 0.306 183 V C 0.622 175.640 176.094 -1.794 0.000 1.065 183 V CA -0.375 61.380 62.300 -0.908 0.000 0.894 183 V CB 1.037 32.590 31.823 -0.450 0.000 1.004 183 V HN 0.526 nan 8.190 nan 0.000 0.424 184 A N 2.737 124.483 122.820 -1.789 0.000 2.076 184 A HA -0.086 4.239 4.320 0.008 0.000 0.220 184 A C 1.930 179.256 177.584 -0.430 0.000 1.160 184 A CA 2.457 53.828 52.037 -1.110 0.000 0.653 184 A CB -0.927 17.822 19.000 -0.419 0.000 0.801 184 A HN 1.095 nan 8.150 nan 0.000 0.455 185 T N -1.173 113.117 114.554 -0.441 0.000 2.778 185 T HA -0.180 4.175 4.350 0.008 0.000 0.269 185 T C 1.906 176.512 174.700 -0.156 0.000 1.050 185 T CA 1.836 63.787 62.100 -0.249 0.000 1.137 185 T CB -0.134 68.563 68.868 -0.285 0.000 0.860 185 T HN 0.610 nan 8.240 nan 0.000 0.468 186 R N -1.356 118.992 120.500 -0.253 0.000 2.419 186 R HA 0.072 4.416 4.340 0.008 0.000 0.235 186 R C 1.362 177.686 176.300 0.040 0.000 0.899 186 R CA -0.159 55.864 56.100 -0.129 0.000 1.048 186 R CB 0.248 30.404 30.300 -0.241 0.000 1.182 186 R HN 0.326 nan 8.270 nan 0.000 0.544 187 W N 0.007 121.266 121.300 -0.070 0.000 2.465 187 W HA -0.055 4.610 4.660 0.008 0.000 0.268 187 W C 0.610 176.955 176.519 -0.289 0.000 1.242 187 W CA 0.597 57.800 57.345 -0.237 0.000 1.248 187 W CB -0.409 28.766 29.460 -0.475 0.000 1.118 187 W HN 0.141 nan 8.180 nan 0.000 0.587 188 Y N -0.305 120.183 120.300 0.314 0.000 2.458 188 Y HA 0.229 4.783 4.550 0.008 0.000 0.256 188 Y C 1.176 177.265 175.900 0.315 0.000 1.159 188 Y CA -0.313 57.960 58.100 0.289 0.000 1.261 188 Y CB -0.204 38.361 38.460 0.175 0.000 1.119 188 Y HN -0.450 nan 8.280 nan 0.000 0.524 189 R N 1.534 122.221 120.500 0.313 0.000 2.438 189 R HA 0.425 4.770 4.340 0.008 0.000 0.287 189 R C 0.305 176.610 176.300 0.008 0.000 1.077 189 R CA -0.254 55.934 56.100 0.147 0.000 1.034 189 R CB 0.641 30.948 30.300 0.011 0.000 0.993 189 R HN 0.169 nan 8.270 nan 0.000 0.459 190 A N 5.734 128.468 122.820 -0.144 0.000 2.540 190 A HA 0.118 4.442 4.320 0.008 0.000 0.239 190 A C -1.080 176.064 177.584 -0.733 0.000 1.061 190 A CA -0.898 50.733 52.037 -0.677 0.000 0.758 190 A CB -0.003 18.788 19.000 -0.348 0.000 0.991 190 A HN 0.482 nan 8.150 nan 0.000 0.502 191 P HA -0.222 nan 4.420 nan 0.000 0.218 191 P C 1.128 177.735 177.300 -1.155 0.000 1.148 191 P CA 1.642 64.145 63.100 -0.995 0.000 0.822 191 P CB 0.027 31.078 31.700 -1.080 0.000 0.784 192 E N 0.152 119.806 120.200 -0.911 0.000 2.204 192 E HA -0.154 4.200 4.350 0.008 0.000 0.195 192 E C 2.126 178.501 176.600 -0.376 0.000 0.990 192 E CA 0.884 56.923 56.400 -0.601 0.000 0.821 192 E CB -1.088 28.559 29.700 -0.089 0.000 0.750 192 E HN 0.317 nan 8.360 nan 0.000 0.477 193 I N -0.066 120.296 120.570 -0.348 0.000 2.867 193 I HA -0.042 4.133 4.170 0.008 0.000 0.265 193 I C 2.679 178.660 176.117 -0.227 0.000 1.162 193 I CA 0.266 61.414 61.300 -0.254 0.000 1.471 193 I CB 0.050 37.855 38.000 -0.326 0.000 1.123 193 I HN 0.033 nan 8.210 nan 0.000 0.440 194 M N 0.163 119.590 119.600 -0.288 0.000 2.159 194 M HA -0.169 4.316 4.480 0.008 0.000 0.263 194 M C 0.731 176.971 176.300 -0.100 0.000 1.063 194 M CA 1.732 56.920 55.300 -0.188 0.000 1.110 194 M CB 0.185 32.633 32.600 -0.253 0.000 1.374 194 M HN 0.159 nan 8.290 nan 0.000 0.411 195 L N 0.245 121.292 121.223 -0.292 0.000 2.808 195 L HA 0.209 4.553 4.340 0.008 0.000 0.246 195 L C 0.376 177.192 176.870 -0.090 0.000 1.153 195 L CA 0.120 54.847 54.840 -0.189 0.000 0.956 195 L CB -1.583 40.303 42.059 -0.289 0.000 1.270 195 L HN 0.430 nan 8.230 nan 0.000 0.528 196 N N 0.249 118.887 118.700 -0.104 0.000 2.669 196 N HA -0.259 4.486 4.740 0.008 0.000 0.266 196 N C 0.597 176.208 175.510 0.168 0.000 1.024 196 N CA 0.216 53.280 53.050 0.024 0.000 0.766 196 N CB -0.684 37.830 38.487 0.045 0.000 0.898 196 N HN 0.240 nan 8.380 nan 0.000 0.548 197 W N 0.437 121.732 121.300 -0.009 0.000 2.518 197 W HA 0.236 4.901 4.660 0.008 0.000 0.273 197 W C 1.406 177.901 176.519 -0.040 0.000 1.247 197 W CA 0.973 58.306 57.345 -0.021 0.000 1.288 197 W CB -0.418 29.027 29.460 -0.026 0.000 1.107 197 W HN 0.574 nan 8.180 nan 0.000 0.586 198 M N -2.752 116.960 119.600 0.188 0.000 3.118 198 M HA 0.235 4.719 4.480 0.008 0.000 0.276 198 M C -1.047 175.291 176.300 0.064 0.000 1.099 198 M CA -0.859 54.473 55.300 0.054 0.000 0.802 198 M CB 1.464 34.129 32.600 0.108 0.000 1.618 198 M HN -0.342 nan 8.290 nan 0.000 0.535 199 H N 1.920 121.028 119.070 0.062 0.000 2.964 199 H HA 0.314 4.875 4.556 0.008 0.000 0.328 199 H C -1.263 174.066 175.328 0.002 0.000 1.030 199 H CA 0.658 56.695 56.048 -0.018 0.000 1.445 199 H CB 0.000 29.712 29.762 -0.083 0.000 1.449 199 H HN 0.601 nan 8.280 nan 0.000 0.581 200 Y N 0.861 121.238 120.300 0.128 0.000 2.387 200 Y HA 0.332 4.886 4.550 0.008 0.000 0.330 200 Y C 0.304 176.219 175.900 0.026 0.000 1.133 200 Y CA -1.368 56.765 58.100 0.055 0.000 1.152 200 Y CB 0.664 39.136 38.460 0.020 0.000 1.215 200 Y HN 0.672 nan 8.280 nan 0.000 0.466 201 N N 0.892 119.695 118.700 0.171 0.000 2.563 201 N HA 0.190 4.934 4.740 0.008 0.000 0.288 201 N C 0.558 176.125 175.510 0.095 0.000 1.246 201 N CA -0.763 52.325 53.050 0.064 0.000 0.946 201 N CB 1.192 39.696 38.487 0.029 0.000 1.213 201 N HN 0.833 nan 8.380 nan 0.000 0.578 202 Q N -1.253 118.513 119.800 -0.056 0.000 2.364 202 Q HA -0.122 4.223 4.340 0.008 0.000 0.207 202 Q C 0.950 176.855 176.000 -0.160 0.000 0.970 202 Q CA 1.700 57.362 55.803 -0.235 0.000 0.888 202 Q CB -0.682 27.641 28.738 -0.692 0.000 0.951 202 Q HN 0.841 nan 8.270 nan 0.000 0.469 203 T N -0.926 113.615 114.554 -0.022 0.000 3.163 203 T HA 0.001 4.356 4.350 0.008 0.000 0.260 203 T C 1.868 176.668 174.700 0.166 0.000 1.156 203 T CA 0.657 62.815 62.100 0.095 0.000 1.072 203 T CB -0.477 68.460 68.868 0.115 0.000 0.937 203 T HN 0.333 nan 8.240 nan 0.000 0.528 204 V N 0.267 120.267 119.914 0.143 0.000 2.380 204 V HA -0.205 3.919 4.120 0.008 0.000 0.251 204 V C 2.036 178.253 176.094 0.205 0.000 1.063 204 V CA 2.039 64.421 62.300 0.138 0.000 1.055 204 V CB -0.802 31.047 31.823 0.042 0.000 0.657 204 V HN 0.276 nan 8.190 nan 0.000 0.455 205 D N 0.367 120.899 120.400 0.220 0.000 2.224 205 D HA -0.013 4.631 4.640 0.008 0.000 0.205 205 D C 2.158 178.590 176.300 0.221 0.000 0.965 205 D CA 1.203 55.344 54.000 0.234 0.000 0.852 205 D CB -0.058 40.933 40.800 0.318 0.000 0.947 205 D HN 0.440 nan 8.370 nan 0.000 0.494 206 I N 0.204 120.922 120.570 0.246 0.000 2.353 206 I HA -0.184 3.991 4.170 0.008 0.000 0.248 206 I C 2.350 178.602 176.117 0.226 0.000 1.119 206 I CA 0.559 61.983 61.300 0.206 0.000 1.417 206 I CB -0.938 37.180 38.000 0.196 0.000 1.078 206 I HN 0.258 nan 8.210 nan 0.000 0.421 207 W N 2.300 123.667 121.300 0.110 0.000 2.335 207 W HA -0.245 4.419 4.660 0.007 0.000 0.311 207 W C 2.508 179.114 176.519 0.146 0.000 1.213 207 W CA 1.931 59.351 57.345 0.124 0.000 1.274 207 W CB -0.248 29.272 29.460 0.100 0.000 1.148 207 W HN 0.107 nan 8.180 nan 0.000 0.498 208 S N 0.809 116.722 115.700 0.356 0.000 2.370 208 S HA -0.203 4.271 4.470 0.008 0.000 0.226 208 S C 1.835 176.514 174.600 0.132 0.000 1.033 208 S CA 1.769 60.131 58.200 0.270 0.000 1.011 208 S CB -0.856 62.477 63.200 0.222 0.000 0.852 208 S HN 0.143 nan 8.310 nan 0.000 0.457 209 V N 1.849 121.811 119.914 0.079 0.000 2.343 209 V HA -0.160 3.964 4.120 0.008 0.000 0.247 209 V C 2.673 178.762 176.094 -0.009 0.000 1.051 209 V CA 1.923 64.240 62.300 0.028 0.000 1.036 209 V CB -1.620 30.221 31.823 0.030 0.000 0.654 209 V HN 0.590 nan 8.190 nan 0.000 0.451 210 G N -0.918 107.846 108.800 -0.060 0.000 2.446 210 G HA2 -0.291 3.673 3.960 0.008 0.000 0.217 210 G HA3 -0.291 3.673 3.960 0.008 0.000 0.217 210 G C 1.726 176.516 174.900 -0.184 0.000 1.168 210 G CA 1.434 46.439 45.100 -0.158 0.000 0.771 210 G HN 0.551 nan 8.290 nan 0.000 0.551 211 C N 0.241 119.449 119.300 -0.154 0.000 2.425 211 C HA 0.071 4.536 4.460 0.008 0.000 0.277 211 C C 2.830 177.856 174.990 0.060 0.000 1.280 211 C CA 0.406 59.377 59.018 -0.078 0.000 1.744 211 C CB -0.993 26.792 27.740 0.075 0.000 1.989 211 C HN 0.467 nan 8.230 nan 0.000 0.491 212 I N 0.343 120.987 120.570 0.124 0.000 2.202 212 I HA -0.250 3.924 4.170 0.008 0.000 0.242 212 I C 2.669 178.799 176.117 0.022 0.000 1.091 212 I CA 1.603 62.965 61.300 0.104 0.000 1.368 212 I CB -0.444 37.572 38.000 0.025 0.000 1.058 212 I HN 0.339 nan 8.210 nan 0.000 0.410 213 M N 0.826 120.411 119.600 -0.024 0.000 2.080 213 M HA -0.246 4.239 4.480 0.008 0.000 0.260 213 M C 2.434 178.653 176.300 -0.134 0.000 1.068 213 M CA 2.284 57.550 55.300 -0.056 0.000 1.109 213 M CB -0.157 32.396 32.600 -0.079 0.000 1.342 213 M HN 0.268 nan 8.290 nan 0.000 0.405 214 A N -0.011 122.682 122.820 -0.213 0.000 1.892 214 A HA -0.283 4.042 4.320 0.008 0.000 0.218 214 A C 1.972 179.517 177.584 -0.066 0.000 1.188 214 A CA 2.260 54.145 52.037 -0.253 0.000 0.631 214 A CB -1.046 17.831 19.000 -0.204 0.000 0.822 214 A HN 0.745 nan 8.150 nan 0.000 0.447 215 E N -0.280 119.900 120.200 -0.032 0.000 2.150 215 E HA -0.108 4.247 4.350 0.008 0.000 0.193 215 E C 1.917 178.531 176.600 0.024 0.000 0.985 215 E CA 0.762 57.168 56.400 0.010 0.000 0.814 215 E CB -0.191 29.549 29.700 0.066 0.000 0.752 215 E HN 0.644 nan 8.360 nan 0.000 0.466 216 L N 0.483 121.718 121.223 0.021 0.000 2.083 216 L HA -0.195 4.150 4.340 0.008 0.000 0.209 216 L C 2.499 179.393 176.870 0.040 0.000 1.083 216 L CA 0.860 55.721 54.840 0.035 0.000 0.752 216 L CB -0.381 41.707 42.059 0.048 0.000 0.899 216 L HN 0.270 nan 8.230 nan 0.000 0.433 217 L N -0.602 120.629 121.223 0.013 0.000 2.072 217 L HA -0.146 4.199 4.340 0.008 0.000 0.205 217 L C 2.615 179.519 176.870 0.056 0.000 1.079 217 L CA 1.862 56.717 54.840 0.025 0.000 0.752 217 L CB -0.610 41.421 42.059 -0.046 0.000 0.906 217 L HN 0.431 nan 8.230 nan 0.000 0.436 218 T N -5.046 109.544 114.554 0.059 0.000 3.014 218 T HA 0.261 4.616 4.350 0.008 0.000 0.250 218 T C 1.497 176.212 174.700 0.024 0.000 1.060 218 T CA 0.502 62.634 62.100 0.053 0.000 1.040 218 T CB 0.812 69.713 68.868 0.055 0.000 0.971 218 T HN 0.402 nan 8.240 nan 0.000 0.497 219 G N 1.824 110.638 108.800 0.024 0.000 2.179 219 G HA2 -0.200 3.764 3.960 0.008 0.000 0.260 219 G HA3 -0.200 3.764 3.960 0.008 0.000 0.260 219 G C 0.078 174.982 174.900 0.007 0.000 0.977 219 G CA -0.056 45.055 45.100 0.019 0.000 0.641 219 G HN 0.678 nan 8.290 nan 0.000 0.533 220 R N 0.204 120.695 120.500 -0.015 0.000 2.807 220 R HA 0.567 4.911 4.340 0.008 0.000 0.276 220 R C -0.083 176.160 176.300 -0.096 0.000 0.979 220 R CA -0.399 55.668 56.100 -0.053 0.000 0.928 220 R CB 0.672 30.924 30.300 -0.079 0.000 1.191 220 R HN 0.143 nan 8.270 nan 0.000 0.471 221 T N 2.455 116.914 114.554 -0.158 0.000 2.934 221 T HA -0.020 4.335 4.350 0.008 0.000 0.306 221 T C 1.549 176.032 174.700 -0.362 0.000 1.042 221 T CA -0.152 61.783 62.100 -0.274 0.000 1.145 221 T CB 0.521 69.072 68.868 -0.528 0.000 0.982 221 T HN 0.348 nan 8.240 nan 0.000 0.544 222 L N 2.332 123.294 121.223 -0.435 0.000 2.044 222 L HA 0.243 4.587 4.340 0.008 0.000 0.205 222 L C 0.375 176.743 176.870 -0.836 0.000 1.075 222 L CA 1.729 56.163 54.840 -0.677 0.000 0.747 222 L CB -0.189 41.339 42.059 -0.885 0.000 0.903 222 L HN 0.646 nan 8.230 nan 0.000 0.435 223 F N 1.032 120.809 119.950 -0.287 0.000 2.523 223 F HA 0.397 4.929 4.527 0.007 0.000 0.322 223 F C -2.062 173.438 175.800 -0.499 0.000 1.361 223 F CA -2.554 55.295 58.000 -0.252 0.000 1.151 223 F CB 0.042 38.999 39.000 -0.071 0.000 1.391 223 F HN 0.031 nan 8.300 nan 0.000 0.566 224 P HA 0.117 nan 4.420 nan 0.000 0.230 224 P C 0.649 177.713 177.300 -0.394 0.000 1.791 224 P CA 0.305 62.615 63.100 -1.317 0.000 1.020 224 P CB 0.209 31.252 31.700 -1.096 0.000 1.977 225 G N 1.280 110.045 108.800 -0.058 0.000 2.491 225 G HA2 0.187 4.152 3.960 0.008 0.000 0.242 225 G HA3 0.187 4.152 3.960 0.008 0.000 0.242 225 G C 1.205 176.369 174.900 0.441 0.000 1.266 225 G CA -0.174 45.054 45.100 0.213 0.000 0.844 225 G HN 0.325 nan 8.290 nan 0.000 0.571 226 T N -1.729 113.042 114.554 0.362 0.000 3.085 226 T HA 0.158 4.512 4.350 0.008 0.000 0.263 226 T C 0.458 175.315 174.700 0.261 0.000 1.127 226 T CA 0.964 63.284 62.100 0.366 0.000 1.103 226 T CB -0.349 68.625 68.868 0.177 0.000 0.921 226 T HN 0.784 nan 8.240 nan 0.000 0.510 227 D N -1.909 118.620 120.400 0.215 0.000 2.738 227 D HA 0.244 4.888 4.640 0.008 0.000 0.308 227 D C 0.060 176.464 176.300 0.172 0.000 1.311 227 D CA -0.873 53.242 54.000 0.193 0.000 0.799 227 D CB 0.113 41.013 40.800 0.167 0.000 1.332 227 D HN -0.100 nan 8.370 nan 0.000 0.441 228 H N -0.512 118.584 119.070 0.043 0.000 2.353 228 H HA -0.025 4.536 4.556 0.007 0.000 0.298 228 H C 1.542 176.884 175.328 0.023 0.000 1.103 228 H CA 1.867 57.924 56.048 0.015 0.000 1.293 228 H CB -0.065 29.682 29.762 -0.025 0.000 1.372 228 H HN 0.333 nan 8.280 nan 0.000 0.501 229 I N 0.013 120.677 120.570 0.158 0.000 2.333 229 I HA -0.147 4.028 4.170 0.008 0.000 0.246 229 I C 2.004 178.201 176.117 0.134 0.000 1.106 229 I CA 1.122 62.496 61.300 0.123 0.000 1.411 229 I CB -0.829 37.205 38.000 0.057 0.000 1.082 229 I HN 0.251 nan 8.210 nan 0.000 0.420 230 D N 0.863 121.335 120.400 0.121 0.000 2.123 230 D HA -0.276 4.369 4.640 0.008 0.000 0.196 230 D C 2.244 178.607 176.300 0.106 0.000 0.992 230 D CA 1.464 55.532 54.000 0.113 0.000 0.833 230 D CB 0.064 40.935 40.800 0.118 0.000 0.954 230 D HN 0.309 nan 8.370 nan 0.000 0.455 231 Q N -0.800 119.062 119.800 0.104 0.000 2.079 231 Q HA -0.135 4.210 4.340 0.008 0.000 0.200 231 Q C 2.178 178.182 176.000 0.006 0.000 0.974 231 Q CA 0.916 56.764 55.803 0.074 0.000 0.840 231 Q CB -0.216 28.566 28.738 0.073 0.000 0.898 231 Q HN 0.351 nan 8.270 nan 0.000 0.430 232 L N 1.240 122.480 121.223 0.028 0.000 2.013 232 L HA -0.226 4.119 4.340 0.008 0.000 0.212 232 L C 1.911 178.814 176.870 0.056 0.000 1.073 232 L CA 1.958 56.818 54.840 0.033 0.000 0.753 232 L CB -0.323 41.821 42.059 0.140 0.000 0.890 232 L HN 0.095 nan 8.230 nan 0.000 0.432 233 K N -0.822 119.633 120.400 0.092 0.000 2.057 233 K HA -0.152 4.172 4.320 0.008 0.000 0.207 233 K C 2.086 178.731 176.600 0.076 0.000 1.049 233 K CA 1.652 57.991 56.287 0.087 0.000 0.931 233 K CB -0.342 32.215 32.500 0.095 0.000 0.714 233 K HN 0.358 nan 8.250 nan 0.000 0.440 234 L N 0.728 122.000 121.223 0.082 0.000 2.046 234 L HA -0.206 4.139 4.340 0.008 0.000 0.208 234 L C 2.369 179.333 176.870 0.157 0.000 1.077 234 L CA 1.205 56.133 54.840 0.147 0.000 0.747 234 L CB -0.461 41.735 42.059 0.227 0.000 0.896 234 L HN 0.174 nan 8.230 nan 0.000 0.432 235 I N -0.277 120.218 120.570 -0.124 0.000 2.142 235 I HA -0.313 3.861 4.170 0.008 0.000 0.240 235 I C 2.377 178.523 176.117 0.049 0.000 1.078 235 I CA 1.404 62.506 61.300 -0.330 0.000 1.343 235 I CB -0.217 37.517 38.000 -0.444 0.000 1.046 235 I HN 0.194 nan 8.210 nan 0.000 0.405 236 L N 0.154 121.416 121.223 0.065 0.000 2.201 236 L HA -0.150 4.195 4.340 0.008 0.000 0.212 236 L C 2.684 179.624 176.870 0.115 0.000 1.105 236 L CA 0.872 55.777 54.840 0.108 0.000 0.775 236 L CB -0.588 41.525 42.059 0.090 0.000 0.913 236 L HN 0.251 nan 8.230 nan 0.000 0.440 237 R N 0.541 121.106 120.500 0.108 0.000 2.096 237 R HA -0.208 4.137 4.340 0.008 0.000 0.235 237 R C 2.251 178.626 176.300 0.124 0.000 1.127 237 R CA 1.459 57.618 56.100 0.099 0.000 0.968 237 R CB -0.103 30.246 30.300 0.081 0.000 0.861 237 R HN 0.233 nan 8.270 nan 0.000 0.440 238 L N -0.228 121.103 121.223 0.180 0.000 2.084 238 L HA 0.017 4.362 4.340 0.008 0.000 0.202 238 L C 1.728 178.791 176.870 0.321 0.000 1.074 238 L CA 1.391 56.351 54.840 0.199 0.000 0.757 238 L CB 0.077 42.270 42.059 0.224 0.000 0.918 238 L HN -0.007 nan 8.230 nan 0.000 0.444 239 V N 0.038 120.150 119.914 0.331 0.000 3.650 239 V HA 0.479 4.603 4.120 0.008 0.000 0.271 239 V C 0.831 177.066 176.094 0.235 0.000 1.281 239 V CA 0.406 62.923 62.300 0.362 0.000 1.120 239 V CB -0.939 31.139 31.823 0.424 0.000 0.856 239 V HN 0.647 nan 8.190 nan 0.000 0.443 240 G N 1.128 110.037 108.800 0.182 0.000 2.692 240 G HA2 -0.121 3.844 3.960 0.008 0.000 0.686 240 G HA3 -0.121 3.844 3.960 0.008 0.000 0.686 240 G C -0.126 174.836 174.900 0.103 0.000 1.243 240 G CA -0.469 44.704 45.100 0.122 0.000 0.782 240 G HN 0.533 nan 8.290 nan 0.000 0.625 241 T N 0.707 115.299 114.554 0.064 0.000 2.898 241 T HA 0.628 4.982 4.350 0.008 0.000 0.301 241 T C -1.469 173.245 174.700 0.023 0.000 1.049 241 T CA -0.423 61.698 62.100 0.037 0.000 1.095 241 T CB 1.416 70.285 68.868 0.002 0.000 0.976 241 T HN 0.697 nan 8.240 nan 0.000 0.539 242 P HA 0.335 nan 4.420 nan 0.000 0.272 242 P C 0.478 177.754 177.300 -0.039 0.000 1.223 242 P CA -0.291 62.793 63.100 -0.026 0.000 0.784 242 P CB 0.434 32.075 31.700 -0.098 0.000 0.923 243 G N 0.140 108.924 108.800 -0.028 0.000 2.543 243 G HA2 0.393 4.358 3.960 0.008 0.000 0.290 243 G HA3 0.393 4.358 3.960 0.008 0.000 0.290 243 G C 1.058 175.929 174.900 -0.050 0.000 1.310 243 G CA -0.083 44.999 45.100 -0.031 0.000 1.025 243 G HN 0.470 nan 8.290 nan 0.000 0.502 244 A N -1.139 121.656 122.820 -0.043 0.000 1.969 244 A HA -0.023 4.301 4.320 0.008 0.000 0.218 244 A C 2.015 179.569 177.584 -0.049 0.000 1.169 244 A CA 2.031 54.038 52.037 -0.050 0.000 0.635 244 A CB -0.499 18.478 19.000 -0.038 0.000 0.810 244 A HN 0.774 nan 8.150 nan 0.000 0.445 245 E N -0.346 119.834 120.200 -0.034 0.000 2.051 245 E HA -0.180 4.175 4.350 0.008 0.000 0.192 245 E C 1.929 178.508 176.600 -0.035 0.000 0.991 245 E CA 1.212 57.596 56.400 -0.027 0.000 0.799 245 E CB -0.161 29.533 29.700 -0.011 0.000 0.748 245 E HN 0.493 nan 8.360 nan 0.000 0.449 246 L N 1.077 122.275 121.223 -0.043 0.000 2.109 246 L HA -0.110 4.234 4.340 0.008 0.000 0.207 246 L C 2.233 179.027 176.870 -0.127 0.000 1.086 246 L CA 1.259 56.062 54.840 -0.061 0.000 0.760 246 L CB -0.707 41.322 42.059 -0.049 0.000 0.910 246 L HN 0.319 nan 8.230 nan 0.000 0.437 247 L N 0.082 121.218 121.223 -0.144 0.000 2.079 247 L HA -0.265 4.080 4.340 0.008 0.000 0.210 247 L C 2.685 179.466 176.870 -0.148 0.000 1.081 247 L CA 1.369 56.096 54.840 -0.188 0.000 0.752 247 L CB -0.445 41.522 42.059 -0.154 0.000 0.896 247 L HN 0.259 nan 8.230 nan 0.000 0.433 248 K N 0.166 120.508 120.400 -0.097 0.000 2.147 248 K HA -0.184 4.141 4.320 0.008 0.000 0.205 248 K C 1.963 178.523 176.600 -0.066 0.000 1.049 248 K CA 1.260 57.505 56.287 -0.071 0.000 0.936 248 K CB -0.006 32.466 32.500 -0.047 0.000 0.722 248 K HN 0.310 nan 8.250 nan 0.000 0.446 249 K N 0.445 120.806 120.400 -0.066 0.000 2.432 249 K HA 0.058 4.383 4.320 0.008 0.000 0.196 249 K C 0.458 177.027 176.600 -0.052 0.000 1.038 249 K CA 0.306 56.568 56.287 -0.041 0.000 0.986 249 K CB 0.165 32.657 32.500 -0.013 0.000 0.782 249 K HN 0.097 nan 8.250 nan 0.000 0.485 250 I N 2.066 122.564 120.570 -0.121 0.000 2.389 250 I HA -0.060 4.115 4.170 0.008 0.000 0.295 250 I C 0.886 176.947 176.117 -0.093 0.000 1.117 250 I CA -0.070 61.140 61.300 -0.150 0.000 1.317 250 I CB 1.164 38.930 38.000 -0.390 0.000 1.431 250 I HN 0.091 nan 8.210 nan 0.000 0.521 251 S N 3.020 118.692 115.700 -0.047 0.000 2.402 251 S HA -0.131 4.344 4.470 0.008 0.000 0.229 251 S C 1.178 175.754 174.600 -0.039 0.000 1.021 251 S CA 0.617 58.786 58.200 -0.052 0.000 0.974 251 S CB -0.043 63.106 63.200 -0.085 0.000 0.800 251 S HN 0.731 nan 8.310 nan 0.000 0.484 252 S N 1.727 117.419 115.700 -0.013 0.000 2.443 252 S HA 0.061 4.536 4.470 0.008 0.000 0.284 252 S C 1.065 175.655 174.600 -0.016 0.000 1.206 252 S CA -0.442 57.763 58.200 0.008 0.000 1.074 252 S CB 0.476 63.720 63.200 0.074 0.000 0.963 252 S HN 0.495 nan 8.310 nan 0.000 0.501 253 E N 4.034 124.225 120.200 -0.015 0.000 2.085 253 E HA -0.133 4.221 4.350 0.008 0.000 0.194 253 E C 1.686 178.284 176.600 -0.003 0.000 0.994 253 E CA 1.498 57.887 56.400 -0.019 0.000 0.801 253 E CB -0.229 29.463 29.700 -0.013 0.000 0.743 253 E HN 0.745 nan 8.360 nan 0.000 0.453 254 S N 0.085 115.795 115.700 0.017 0.000 2.355 254 S HA -0.115 4.360 4.470 0.008 0.000 0.222 254 S C 1.975 176.621 174.600 0.077 0.000 1.031 254 S CA 0.976 59.200 58.200 0.040 0.000 0.993 254 S CB -0.219 63.002 63.200 0.035 0.000 0.859 254 S HN 0.498 nan 8.310 nan 0.000 0.453 255 A N 1.635 124.507 122.820 0.087 0.000 1.902 255 A HA -0.126 4.199 4.320 0.008 0.000 0.217 255 A C 2.055 179.650 177.584 0.019 0.000 1.181 255 A CA 1.715 53.838 52.037 0.144 0.000 0.623 255 A CB -0.577 18.567 19.000 0.241 0.000 0.818 255 A HN 0.446 nan 8.150 nan 0.000 0.443 256 R N -0.344 120.101 120.500 -0.091 0.000 2.083 256 R HA -0.212 4.133 4.340 0.008 0.000 0.237 256 R C 2.133 178.380 176.300 -0.089 0.000 1.137 256 R CA 1.967 57.970 56.100 -0.161 0.000 0.951 256 R CB -0.379 29.834 30.300 -0.144 0.000 0.851 256 R HN 0.620 nan 8.270 nan 0.000 0.434 257 N N -0.668 118.018 118.700 -0.024 0.000 2.188 257 N HA -0.223 4.522 4.740 0.008 0.000 0.184 257 N C 1.585 177.112 175.510 0.029 0.000 1.018 257 N CA 1.263 54.312 53.050 -0.003 0.000 0.858 257 N CB -0.236 38.263 38.487 0.019 0.000 0.989 257 N HN 0.305 nan 8.380 nan 0.000 0.426 258 Y N 0.872 121.160 120.300 -0.020 0.000 2.163 258 Y HA -0.036 4.518 4.550 0.008 0.000 0.288 258 Y C 1.825 177.723 175.900 -0.003 0.000 1.136 258 Y CA 1.493 59.595 58.100 0.003 0.000 1.147 258 Y CB -0.447 38.035 38.460 0.036 0.000 0.987 258 Y HN 0.099 nan 8.280 nan 0.000 0.509 259 I N 0.415 120.859 120.570 -0.209 0.000 2.264 259 I HA -0.365 3.809 4.170 0.008 0.000 0.248 259 I C 2.254 178.204 176.117 -0.278 0.000 1.111 259 I CA 1.726 62.851 61.300 -0.292 0.000 1.382 259 I CB -0.521 37.355 38.000 -0.206 0.000 1.060 259 I HN 0.312 nan 8.210 nan 0.000 0.418 260 Q N 0.196 119.874 119.800 -0.202 0.000 2.364 260 Q HA -0.133 4.211 4.340 0.008 0.000 0.207 260 Q C 2.261 178.173 176.000 -0.146 0.000 0.970 260 Q CA 1.508 57.222 55.803 -0.149 0.000 0.888 260 Q CB -0.127 28.547 28.738 -0.106 0.000 0.951 260 Q HN 0.635 nan 8.270 nan 0.000 0.469 261 S N -0.432 115.149 115.700 -0.199 0.000 2.481 261 S HA -0.018 4.457 4.470 0.008 0.000 0.231 261 S C 0.664 175.160 174.600 -0.173 0.000 0.996 261 S CA -0.009 58.094 58.200 -0.162 0.000 0.942 261 S CB 0.061 63.176 63.200 -0.142 0.000 0.768 261 S HN 0.064 nan 8.310 nan 0.000 0.520 262 L N 2.953 124.035 121.223 -0.234 0.000 2.371 262 L HA 0.387 4.731 4.340 0.008 0.000 0.272 262 L C 0.592 177.406 176.870 -0.093 0.000 1.124 262 L CA 0.246 54.985 54.840 -0.168 0.000 0.816 262 L CB 0.477 42.421 42.059 -0.192 0.000 1.129 262 L HN 0.095 nan 8.230 nan 0.000 0.448 263 T N 3.189 117.710 114.554 -0.055 0.000 2.916 263 T HA 0.118 4.472 4.350 0.008 0.000 0.303 263 T C 0.244 174.928 174.700 -0.026 0.000 1.025 263 T CA -0.341 61.739 62.100 -0.033 0.000 1.142 263 T CB 0.143 69.001 68.868 -0.017 0.000 0.947 263 T HN 0.423 nan 8.240 nan 0.000 0.544 264 Q N 2.453 122.240 119.800 -0.021 0.000 2.352 264 Q HA 0.431 4.775 4.340 0.008 0.000 0.260 264 Q C -0.391 175.611 176.000 0.003 0.000 0.976 264 Q CA 0.254 56.050 55.803 -0.012 0.000 0.881 264 Q CB 0.733 29.462 28.738 -0.014 0.000 1.235 264 Q HN 0.550 nan 8.270 nan 0.000 0.419 265 M N 3.196 122.805 119.600 0.015 0.000 2.446 265 M HA 0.433 4.917 4.480 0.008 0.000 0.294 265 M C -2.433 173.892 176.300 0.041 0.000 1.158 265 M CA -2.128 53.189 55.300 0.029 0.000 0.899 265 M CB 2.482 35.105 32.600 0.038 0.000 1.687 265 M HN 0.404 nan 8.290 nan 0.000 0.455 266 P HA 0.161 nan 4.420 nan 0.000 0.276 266 P C -1.233 176.115 177.300 0.080 0.000 1.244 266 P CA -0.476 62.655 63.100 0.052 0.000 0.801 266 P CB 0.716 32.442 31.700 0.042 0.000 1.006 267 K N 2.337 122.791 120.400 0.091 0.000 2.489 267 K HA 0.072 4.396 4.320 0.008 0.000 0.278 267 K C 0.353 177.042 176.600 0.149 0.000 1.000 267 K CA 0.080 56.450 56.287 0.138 0.000 1.012 267 K CB 0.036 32.596 32.500 0.100 0.000 0.903 267 K HN 0.414 nan 8.250 nan 0.000 0.485 268 M N 2.603 122.337 119.600 0.222 0.000 2.163 268 M HA 0.009 4.494 4.480 0.008 0.000 0.305 268 M C 0.692 177.155 176.300 0.271 0.000 1.166 268 M CA -0.270 55.148 55.300 0.197 0.000 1.132 268 M CB 0.343 33.030 32.600 0.145 0.000 1.413 268 M HN 0.572 nan 8.290 nan 0.000 0.478 269 N N 0.945 119.756 118.700 0.186 0.000 2.401 269 N HA 0.048 4.793 4.740 0.008 0.000 0.255 269 N C -0.054 175.630 175.510 0.289 0.000 1.110 269 N CA 0.159 53.325 53.050 0.193 0.000 0.949 269 N CB 0.374 38.919 38.487 0.098 0.000 1.110 269 N HN 0.435 nan 8.380 nan 0.000 0.490 270 F N 2.452 122.433 119.950 0.051 0.000 2.293 270 F HA 0.007 4.539 4.527 0.008 0.000 0.300 270 F C 2.261 178.135 175.800 0.123 0.000 1.086 270 F CA 0.638 58.708 58.000 0.116 0.000 1.375 270 F CB -0.843 38.284 39.000 0.212 0.000 1.045 270 F HN 0.666 nan 8.300 nan 0.000 0.516 271 A N -0.087 122.886 122.820 0.255 0.000 2.019 271 A HA -0.166 4.159 4.320 0.008 0.000 0.219 271 A C 1.936 179.563 177.584 0.071 0.000 1.164 271 A CA 1.652 53.779 52.037 0.149 0.000 0.644 271 A CB -0.566 18.495 19.000 0.102 0.000 0.805 271 A HN 0.303 nan 8.150 nan 0.000 0.449 272 N N -0.622 118.100 118.700 0.037 0.000 2.353 272 N HA 0.053 4.797 4.740 0.008 0.000 0.185 272 N C 1.295 176.735 175.510 -0.116 0.000 1.098 272 N CA 0.863 53.899 53.050 -0.023 0.000 0.872 272 N CB 0.423 38.905 38.487 -0.008 0.000 0.970 272 N HN 0.316 nan 8.380 nan 0.000 0.467 273 V N -0.408 119.374 119.914 -0.220 0.000 2.521 273 V HA 0.110 4.235 4.120 0.008 0.000 0.239 273 V C 0.223 175.949 176.094 -0.613 0.000 1.053 273 V CA 0.779 62.762 62.300 -0.528 0.000 1.073 273 V CB -0.203 31.075 31.823 -0.909 0.000 0.746 273 V HN -0.007 nan 8.190 nan 0.000 0.476 274 F N 1.197 121.086 119.950 -0.100 0.000 2.560 274 F HA 0.463 4.994 4.527 0.007 0.000 0.338 274 F C 0.329 176.104 175.800 -0.042 0.000 1.201 274 F CA -0.699 57.250 58.000 -0.085 0.000 1.291 274 F CB -0.778 38.166 39.000 -0.093 0.000 1.627 274 F HN -0.021 nan 8.300 nan 0.000 0.588 275 I N 1.740 122.335 120.570 0.042 0.000 2.587 275 I HA 0.177 4.352 4.170 0.008 0.000 0.284 275 I C 1.378 177.525 176.117 0.050 0.000 1.134 275 I CA 0.686 62.005 61.300 0.030 0.000 1.410 275 I CB 0.105 38.100 38.000 -0.008 0.000 1.392 275 I HN 0.782 nan 8.210 nan 0.000 0.545 276 G N 4.312 113.142 108.800 0.050 0.000 2.179 276 G HA2 -0.235 3.729 3.960 0.008 0.000 0.260 276 G HA3 -0.235 3.729 3.960 0.008 0.000 0.260 276 G C 0.397 175.330 174.900 0.055 0.000 0.977 276 G CA -0.015 45.113 45.100 0.046 0.000 0.641 276 G HN 0.967 nan 8.290 nan 0.000 0.533 277 A N -0.002 122.860 122.820 0.070 0.000 2.407 277 A HA 0.566 4.890 4.320 0.008 0.000 0.248 277 A C 0.785 178.390 177.584 0.036 0.000 1.082 277 A CA 0.285 52.354 52.037 0.053 0.000 0.785 277 A CB 0.249 19.276 19.000 0.045 0.000 1.020 277 A HN 0.773 nan 8.150 nan 0.000 0.489 278 N N 2.040 120.762 118.700 0.038 0.000 2.223 278 N HA -0.047 4.697 4.740 0.008 0.000 0.271 278 N C -1.670 173.834 175.510 -0.010 0.000 1.315 278 N CA -0.955 52.121 53.050 0.044 0.000 0.835 278 N CB 0.612 39.179 38.487 0.134 0.000 1.066 278 N HN 0.230 nan 8.380 nan 0.000 0.486 279 P HA -0.165 nan 4.420 nan 0.000 0.217 279 P C 1.421 178.713 177.300 -0.013 0.000 1.148 279 P CA 0.686 63.792 63.100 0.009 0.000 0.834 279 P CB 0.310 32.025 31.700 0.024 0.000 0.783 280 L N -0.944 120.280 121.223 0.001 0.000 2.093 280 L HA -0.045 4.299 4.340 0.008 0.000 0.208 280 L C 2.373 179.083 176.870 -0.266 0.000 1.085 280 L CA 1.661 56.523 54.840 0.036 0.000 0.755 280 L CB -2.021 40.151 42.059 0.189 0.000 0.904 280 L HN -0.078 nan 8.230 nan 0.000 0.435 281 A N -1.040 121.428 122.820 -0.587 0.000 1.898 281 A HA -0.124 4.201 4.320 0.008 0.000 0.216 281 A C 2.398 179.689 177.584 -0.489 0.000 1.181 281 A CA 1.662 53.121 52.037 -0.963 0.000 0.620 281 A CB -0.758 17.725 19.000 -0.861 0.000 0.819 281 A HN 0.199 nan 8.150 nan 0.000 0.442 282 V N 0.538 120.304 119.914 -0.247 0.000 2.295 282 V HA -0.289 3.836 4.120 0.008 0.000 0.246 282 V C 2.331 178.388 176.094 -0.063 0.000 1.049 282 V CA 2.544 64.802 62.300 -0.070 0.000 1.024 282 V CB -0.877 30.987 31.823 0.068 0.000 0.648 282 V HN 0.732 nan 8.190 nan 0.000 0.447 283 D N -0.272 120.082 120.400 -0.077 0.000 2.104 283 D HA -0.205 4.440 4.640 0.008 0.000 0.194 283 D C 1.959 178.193 176.300 -0.111 0.000 0.994 283 D CA 1.398 55.377 54.000 -0.034 0.000 0.830 283 D CB -0.135 40.725 40.800 0.099 0.000 0.959 283 D HN 0.281 nan 8.370 nan 0.000 0.452 284 L N 0.156 121.184 121.223 -0.325 0.000 2.056 284 L HA -0.021 4.324 4.340 0.008 0.000 0.207 284 L C 2.095 178.820 176.870 -0.241 0.000 1.078 284 L CA 1.387 55.938 54.840 -0.483 0.000 0.749 284 L CB -0.568 41.022 42.059 -0.782 0.000 0.901 284 L HN 0.205 nan 8.230 nan 0.000 0.433 285 L N -0.574 120.520 121.223 -0.214 0.000 2.042 285 L HA -0.262 4.083 4.340 0.008 0.000 0.210 285 L C 2.509 179.418 176.870 0.066 0.000 1.076 285 L CA 1.720 56.510 54.840 -0.084 0.000 0.749 285 L CB -0.626 41.352 42.059 -0.134 0.000 0.893 285 L HN 0.366 nan 8.230 nan 0.000 0.432 286 E N -0.219 119.951 120.200 -0.050 0.000 2.204 286 E HA -0.197 4.157 4.350 0.008 0.000 0.195 286 E C 1.987 178.524 176.600 -0.105 0.000 0.990 286 E CA 0.796 57.029 56.400 -0.278 0.000 0.821 286 E CB 0.090 29.518 29.700 -0.453 0.000 0.750 286 E HN 0.406 nan 8.360 nan 0.000 0.477 287 K N -0.229 120.140 120.400 -0.052 0.000 2.314 287 K HA 0.081 4.405 4.320 0.008 0.000 0.198 287 K C 1.871 178.499 176.600 0.048 0.000 1.045 287 K CA 0.545 56.835 56.287 0.005 0.000 0.988 287 K CB 0.162 32.670 32.500 0.014 0.000 0.783 287 K HN 0.224 nan 8.250 nan 0.000 0.484 288 M N 0.047 119.666 119.600 0.033 0.000 2.357 288 M HA 0.014 4.498 4.480 0.008 0.000 0.266 288 M C 0.357 176.716 176.300 0.098 0.000 1.095 288 M CA 0.556 55.894 55.300 0.063 0.000 1.156 288 M CB 0.170 32.772 32.600 0.004 0.000 1.365 288 M HN -0.119 nan 8.290 nan 0.000 0.447 289 L N 1.889 123.142 121.223 0.050 0.000 2.648 289 L HA 0.248 4.593 4.340 0.008 0.000 0.238 289 L C -0.623 176.434 176.870 0.312 0.000 1.316 289 L CA -0.115 54.716 54.840 -0.016 0.000 1.241 289 L CB -0.703 41.347 42.059 -0.014 0.000 1.499 289 L HN -0.104 nan 8.230 nan 0.000 0.411 290 V N 1.254 121.422 119.914 0.424 0.000 2.417 290 V HA 0.175 4.299 4.120 0.008 0.000 0.291 290 V C 1.175 177.531 176.094 0.437 0.000 1.024 290 V CA -0.584 61.928 62.300 0.353 0.000 0.861 290 V CB 2.277 34.230 31.823 0.217 0.000 0.985 290 V HN 0.333 nan 8.190 nan 0.000 0.436 291 L N 2.801 124.232 121.223 0.347 0.000 2.046 291 L HA -0.001 4.343 4.340 0.008 0.000 0.208 291 L C 1.304 178.285 176.870 0.185 0.000 1.077 291 L CA 1.724 56.705 54.840 0.236 0.000 0.747 291 L CB -0.232 41.960 42.059 0.221 0.000 0.896 291 L HN 0.766 nan 8.230 nan 0.000 0.432 292 D N -1.294 119.205 120.400 0.166 0.000 2.338 292 D HA -0.007 4.638 4.640 0.008 0.000 0.255 292 D C 1.371 177.751 176.300 0.134 0.000 1.237 292 D CA 0.691 54.770 54.000 0.132 0.000 0.883 292 D CB 1.161 42.017 40.800 0.093 0.000 1.087 292 D HN 0.321 nan 8.370 nan 0.000 0.485 293 S N 2.765 118.542 115.700 0.128 0.000 2.442 293 S HA -0.175 4.299 4.470 0.008 0.000 0.236 293 S C 1.156 175.817 174.600 0.102 0.000 1.007 293 S CA 0.601 58.874 58.200 0.123 0.000 0.965 293 S CB 0.076 63.343 63.200 0.111 0.000 0.773 293 S HN 0.394 nan 8.310 nan 0.000 0.504 294 D N 1.920 122.372 120.400 0.086 0.000 2.218 294 D HA 0.009 4.654 4.640 0.008 0.000 0.204 294 D C 1.667 178.009 176.300 0.070 0.000 0.976 294 D CA 1.066 55.106 54.000 0.067 0.000 0.853 294 D CB -0.111 40.722 40.800 0.054 0.000 0.939 294 D HN 0.573 nan 8.370 nan 0.000 0.481 295 K N -0.188 120.262 120.400 0.084 0.000 2.358 295 K HA 0.166 4.491 4.320 0.008 0.000 0.197 295 K C 0.468 177.125 176.600 0.096 0.000 1.025 295 K CA -0.220 56.116 56.287 0.081 0.000 1.104 295 K CB 0.888 33.434 32.500 0.076 0.000 0.855 295 K HN -0.026 nan 8.250 nan 0.000 0.531 296 R N 1.422 121.993 120.500 0.118 0.000 2.590 296 R HA 0.144 4.489 4.340 0.008 0.000 0.274 296 R C 0.311 176.678 176.300 0.111 0.000 1.061 296 R CA -0.188 55.993 56.100 0.135 0.000 1.081 296 R CB 0.601 31.005 30.300 0.173 0.000 0.984 296 R HN 0.111 nan 8.270 nan 0.000 0.448 297 I N 1.995 122.630 120.570 0.107 0.000 2.754 297 I HA -0.066 4.109 4.170 0.008 0.000 0.285 297 I C 0.818 177.001 176.117 0.111 0.000 1.166 297 I CA 0.403 61.764 61.300 0.102 0.000 1.417 297 I CB 0.844 38.902 38.000 0.097 0.000 1.382 297 I HN 0.730 nan 8.210 nan 0.000 0.588 298 T N 3.649 118.266 114.554 0.106 0.000 2.847 298 T HA 0.455 4.809 4.350 0.008 0.000 0.279 298 T C 1.052 175.826 174.700 0.124 0.000 0.984 298 T CA -0.168 62.002 62.100 0.116 0.000 0.988 298 T CB 1.562 70.490 68.868 0.100 0.000 1.040 298 T HN 0.706 nan 8.240 nan 0.000 0.528 299 A N 0.878 123.785 122.820 0.145 0.000 1.877 299 A HA 0.177 4.502 4.320 0.008 0.000 0.216 299 A C 2.651 180.273 177.584 0.062 0.000 1.186 299 A CA 1.889 53.977 52.037 0.087 0.000 0.620 299 A CB -1.598 17.437 19.000 0.059 0.000 0.822 299 A HN 1.254 nan 8.150 nan 0.000 0.443 300 A N -0.774 122.094 122.820 0.082 0.000 1.902 300 A HA -0.212 4.112 4.320 0.008 0.000 0.217 300 A C 2.120 179.755 177.584 0.086 0.000 1.181 300 A CA 1.752 53.837 52.037 0.080 0.000 0.623 300 A CB -0.562 18.489 19.000 0.086 0.000 0.818 300 A HN 0.657 nan 8.150 nan 0.000 0.443 301 Q N -0.628 119.229 119.800 0.094 0.000 2.079 301 Q HA -0.051 4.293 4.340 0.008 0.000 0.200 301 Q C 2.409 178.489 176.000 0.134 0.000 0.974 301 Q CA 1.443 57.308 55.803 0.103 0.000 0.840 301 Q CB -0.400 28.399 28.738 0.103 0.000 0.898 301 Q HN 0.675 nan 8.270 nan 0.000 0.430 302 A N 0.784 123.694 122.820 0.151 0.000 1.933 302 A HA -0.150 4.175 4.320 0.008 0.000 0.218 302 A C 2.033 179.809 177.584 0.319 0.000 1.175 302 A CA 1.049 53.229 52.037 0.238 0.000 0.628 302 A CB -0.668 18.453 19.000 0.202 0.000 0.814 302 A HN 0.310 nan 8.150 nan 0.000 0.444 303 L N -0.982 120.317 121.223 0.127 0.000 2.191 303 L HA -0.176 4.169 4.340 0.008 0.000 0.212 303 L C 2.678 179.473 176.870 -0.126 0.000 1.103 303 L CA 0.918 55.794 54.840 0.060 0.000 0.769 303 L CB -0.310 41.774 42.059 0.041 0.000 0.908 303 L HN 0.438 nan 8.230 nan 0.000 0.438 304 A N -2.340 120.403 122.820 -0.127 0.000 2.251 304 A HA -0.041 4.283 4.320 0.008 0.000 0.209 304 A C 0.952 178.550 177.584 0.024 0.000 1.187 304 A CA -0.127 51.762 52.037 -0.246 0.000 0.823 304 A CB -0.571 18.389 19.000 -0.067 0.000 0.846 304 A HN 0.311 nan 8.150 nan 0.000 0.486 305 H N -0.054 119.083 119.070 0.111 0.000 2.790 305 H HA 0.306 4.867 4.556 0.008 0.000 0.358 305 H C 1.392 176.776 175.328 0.093 0.000 1.103 305 H CA 0.479 56.594 56.048 0.111 0.000 1.426 305 H CB 1.216 31.059 29.762 0.135 0.000 1.424 305 H HN 0.150 nan 8.280 nan 0.000 0.599 306 A N 4.992 127.655 122.820 -0.261 0.000 2.070 306 A HA -0.238 4.086 4.320 0.008 0.000 0.220 306 A C 1.939 179.573 177.584 0.083 0.000 1.159 306 A CA 1.073 53.066 52.037 -0.073 0.000 0.656 306 A CB -0.824 18.084 19.000 -0.152 0.000 0.800 306 A HN 0.840 nan 8.150 nan 0.000 0.453 307 Y N -0.259 120.079 120.300 0.063 0.000 2.256 307 Y HA -0.186 4.368 4.550 0.007 0.000 0.288 307 Y C 0.894 176.650 175.900 -0.240 0.000 1.155 307 Y CA 1.289 59.290 58.100 -0.165 0.000 1.203 307 Y CB -0.349 37.854 38.460 -0.430 0.000 0.980 307 Y HN 0.324 nan 8.280 nan 0.000 0.530 308 F N -0.882 119.179 119.950 0.185 0.000 2.668 308 F HA 0.392 4.924 4.527 0.008 0.000 0.297 308 F C 1.946 177.789 175.800 0.071 0.000 1.124 308 F CA 0.074 58.142 58.000 0.112 0.000 1.353 308 F CB -1.009 38.148 39.000 0.262 0.000 0.992 308 F HN 0.055 nan 8.300 nan 0.000 0.524 309 A N 0.136 123.037 122.820 0.136 0.000 1.948 309 A HA -0.314 4.010 4.320 0.008 0.000 0.220 309 A C 2.289 179.858 177.584 -0.024 0.000 1.177 309 A CA 2.095 54.180 52.037 0.081 0.000 0.636 309 A CB -0.727 18.288 19.000 0.025 0.000 0.815 309 A HN 0.479 nan 8.150 nan 0.000 0.449 310 Q N -2.375 117.329 119.800 -0.160 0.000 2.234 310 Q HA -0.208 4.137 4.340 0.008 0.000 0.206 310 Q C 1.239 176.853 176.000 -0.643 0.000 0.980 310 Q CA 2.061 57.591 55.803 -0.455 0.000 0.869 310 Q CB -0.130 28.194 28.738 -0.690 0.000 0.912 310 Q HN 0.826 nan 8.270 nan 0.000 0.436 311 Y N -2.509 117.695 120.300 -0.160 0.000 2.526 311 Y HA 0.154 4.708 4.550 0.008 0.000 0.265 311 Y C 0.316 175.965 175.900 -0.419 0.000 1.092 311 Y CA -0.310 57.556 58.100 -0.390 0.000 1.277 311 Y CB 0.018 38.039 38.460 -0.731 0.000 1.228 311 Y HN 0.118 nan 8.280 nan 0.000 0.507 312 H N 2.028 121.011 119.070 -0.146 0.000 3.070 312 H HA 0.192 4.752 4.556 0.007 0.000 0.313 312 H C -0.954 174.430 175.328 0.092 0.000 0.997 312 H CA 0.152 56.252 56.048 0.087 0.000 1.438 312 H CB 0.231 30.119 29.762 0.211 0.000 1.455 312 H HN 0.067 nan 8.280 nan 0.000 0.575 313 D N 6.750 127.039 120.400 -0.185 0.000 2.476 313 D HA 0.173 4.818 4.640 0.008 0.000 0.251 313 D C -2.155 174.008 176.300 -0.228 0.000 1.291 313 D CA -2.171 51.688 54.000 -0.236 0.000 0.939 313 D CB 1.663 42.441 40.800 -0.038 0.000 1.221 313 D HN 0.347 nan 8.370 nan 0.000 0.567 314 P HA -0.023 nan 4.420 nan 0.000 0.225 314 P C 0.312 177.616 177.300 0.007 0.000 1.148 314 P CA 0.640 63.688 63.100 -0.087 0.000 0.779 314 P CB 0.534 32.214 31.700 -0.035 0.000 0.780 315 D N -0.636 119.757 120.400 -0.012 0.000 2.340 315 D HA -0.010 4.635 4.640 0.008 0.000 0.220 315 D C 0.264 176.582 176.300 0.031 0.000 1.039 315 D CA 0.683 54.693 54.000 0.016 0.000 0.866 315 D CB 0.020 40.822 40.800 0.004 0.000 0.913 315 D HN 0.158 nan 8.370 nan 0.000 0.523 316 D N 0.504 120.932 120.400 0.047 0.000 2.908 316 D HA 0.074 4.718 4.640 0.008 0.000 0.361 316 D C -0.719 175.645 176.300 0.107 0.000 1.416 316 D CA -0.129 53.909 54.000 0.064 0.000 0.796 316 D CB 0.081 40.916 40.800 0.059 0.000 1.185 316 D HN -0.107 nan 8.370 nan 0.000 0.451 317 E N 1.532 121.805 120.200 0.123 0.000 3.374 317 E HA 0.238 4.592 4.350 0.008 0.000 0.223 317 E C -2.397 174.305 176.600 0.170 0.000 1.210 317 E CA -1.550 54.944 56.400 0.156 0.000 0.987 317 E CB 1.524 31.328 29.700 0.174 0.000 1.322 317 E HN 0.204 nan 8.360 nan 0.000 0.404 318 P HA 0.033 nan 4.420 nan 0.000 0.274 318 P C 0.070 177.549 177.300 0.298 0.000 1.231 318 P CA -0.326 62.909 63.100 0.226 0.000 0.790 318 P CB 1.045 32.874 31.700 0.215 0.000 0.951 319 V N -1.197 118.840 119.914 0.206 0.000 3.109 319 V HA 0.818 4.943 4.120 0.008 0.000 0.317 319 V C 0.179 176.300 176.094 0.046 0.000 1.074 319 V CA -1.248 61.117 62.300 0.110 0.000 1.033 319 V CB 0.663 32.515 31.823 0.048 0.000 1.111 319 V HN 0.707 nan 8.190 nan 0.000 0.458 320 A N 1.020 123.659 122.820 -0.302 0.000 2.322 320 A HA 0.473 4.798 4.320 0.008 0.000 0.269 320 A C 0.068 177.621 177.584 -0.051 0.000 1.094 320 A CA -0.430 51.347 52.037 -0.433 0.000 0.807 320 A CB -0.194 18.367 19.000 -0.732 0.000 1.047 320 A HN 0.966 nan 8.150 nan 0.000 0.487 321 D N 1.360 121.779 120.400 0.031 0.000 2.378 321 D HA 0.268 4.912 4.640 0.008 0.000 0.238 321 D C -2.244 174.201 176.300 0.242 0.000 1.180 321 D CA -0.495 53.576 54.000 0.119 0.000 0.895 321 D CB -0.086 40.774 40.800 0.099 0.000 1.192 321 D HN 0.223 nan 8.370 nan 0.000 0.438 322 P HA -0.044 nan 4.420 nan 0.000 0.262 322 P C -0.785 176.644 177.300 0.215 0.000 1.182 322 P CA 0.305 63.499 63.100 0.158 0.000 0.761 322 P CB 0.070 31.830 31.700 0.100 0.000 0.795 323 Y N 3.256 123.500 120.300 -0.093 0.000 2.345 323 Y HA 0.275 4.830 4.550 0.008 0.000 0.331 323 Y C -0.333 175.492 175.900 -0.125 0.000 0.959 323 Y CA -1.512 56.401 58.100 -0.313 0.000 1.204 323 Y CB 0.640 38.749 38.460 -0.585 0.000 1.135 323 Y HN 0.259 nan 8.280 nan 0.000 0.477 324 D N 5.272 125.473 120.400 -0.332 0.000 2.344 324 D HA 0.073 4.718 4.640 0.008 0.000 0.253 324 D C -0.258 175.759 176.300 -0.472 0.000 1.255 324 D CA 0.382 54.211 54.000 -0.284 0.000 0.894 324 D CB 0.839 41.595 40.800 -0.072 0.000 1.067 324 D HN 0.813 nan 8.370 nan 0.000 0.492 325 Q N 1.705 121.218 119.800 -0.478 0.000 2.189 325 Q HA 0.031 4.375 4.340 0.008 0.000 0.221 325 Q C 1.681 177.467 176.000 -0.357 0.000 0.848 325 Q CA -0.225 55.288 55.803 -0.484 0.000 1.007 325 Q CB 0.491 28.914 28.738 -0.525 0.000 1.116 325 Q HN 0.518 nan 8.270 nan 0.000 0.481 326 S N 0.403 116.026 115.700 -0.128 0.000 2.402 326 S HA -0.234 4.240 4.470 0.008 0.000 0.233 326 S C 1.730 176.327 174.600 -0.006 0.000 1.030 326 S CA 1.192 59.355 58.200 -0.061 0.000 1.003 326 S CB -0.728 62.476 63.200 0.007 0.000 0.813 326 S HN 0.634 nan 8.310 nan 0.000 0.477 327 F N 2.221 122.229 119.950 0.096 0.000 2.250 327 F HA 0.087 4.619 4.527 0.008 0.000 0.301 327 F C 2.072 178.030 175.800 0.264 0.000 1.077 327 F CA 1.083 59.235 58.000 0.253 0.000 1.348 327 F CB -0.699 38.588 39.000 0.479 0.000 1.040 327 F HN 0.048 nan 8.300 nan 0.000 0.509 328 E N 0.945 120.727 120.200 -0.697 0.000 2.160 328 E HA -0.136 4.218 4.350 0.008 0.000 0.195 328 E C 2.046 178.569 176.600 -0.129 0.000 0.991 328 E CA 1.412 57.522 56.400 -0.483 0.000 0.810 328 E CB -0.453 28.903 29.700 -0.574 0.000 0.742 328 E HN 0.512 nan 8.360 nan 0.000 0.466 329 S N 0.351 116.001 115.700 -0.085 0.000 2.593 329 S HA 0.040 4.515 4.470 0.008 0.000 0.217 329 S C 0.846 175.475 174.600 0.048 0.000 0.966 329 S CA -0.206 57.979 58.200 -0.025 0.000 0.914 329 S CB 0.237 63.408 63.200 -0.048 0.000 0.776 329 S HN 0.132 nan 8.310 nan 0.000 0.523 330 R N 1.803 122.386 120.500 0.137 0.000 2.532 330 R HA 0.314 4.658 4.340 0.008 0.000 0.295 330 R C -1.840 174.598 176.300 0.230 0.000 0.968 330 R CA -0.502 55.686 56.100 0.148 0.000 0.916 330 R CB 0.710 31.092 30.300 0.137 0.000 1.124 330 R HN -0.096 nan 8.270 nan 0.000 0.463 331 D N 5.458 125.921 120.400 0.104 0.000 2.392 331 D HA 0.320 4.965 4.640 0.008 0.000 0.228 331 D C -0.464 175.812 176.300 -0.040 0.000 1.074 331 D CA -0.114 53.956 54.000 0.116 0.000 0.838 331 D CB 1.361 42.205 40.800 0.074 0.000 1.067 331 D HN 0.381 nan 8.370 nan 0.000 0.511 332 L N 1.057 122.212 121.223 -0.113 0.000 2.283 332 L HA 0.520 4.865 4.340 0.008 0.000 0.259 332 L C 0.157 176.903 176.870 -0.208 0.000 1.027 332 L CA -1.120 53.456 54.840 -0.440 0.000 0.828 332 L CB 1.734 43.033 42.059 -1.268 0.000 1.380 332 L HN 0.034 nan 8.230 nan 0.000 0.425 333 L N 0.891 121.991 121.223 -0.205 0.000 2.456 333 L HA 0.267 4.611 4.340 0.008 0.000 0.257 333 L C 1.342 178.228 176.870 0.027 0.000 1.162 333 L CA -0.336 54.477 54.840 -0.044 0.000 0.808 333 L CB 0.811 42.836 42.059 -0.057 0.000 1.136 333 L HN 0.583 nan 8.230 nan 0.000 0.466 334 I N 0.472 121.126 120.570 0.140 0.000 2.113 334 I HA -0.327 3.847 4.170 0.008 0.000 0.242 334 I C 1.803 177.971 176.117 0.086 0.000 1.064 334 I CA 1.498 62.920 61.300 0.203 0.000 1.320 334 I CB -0.198 37.889 38.000 0.144 0.000 1.028 334 I HN 0.752 nan 8.210 nan 0.000 0.406 335 D N 0.452 120.844 120.400 -0.012 0.000 2.221 335 D HA -0.169 4.476 4.640 0.008 0.000 0.204 335 D C 2.120 178.358 176.300 -0.103 0.000 0.982 335 D CA 1.135 55.088 54.000 -0.079 0.000 0.857 335 D CB -0.101 40.654 40.800 -0.075 0.000 0.934 335 D HN 0.482 nan 8.370 nan 0.000 0.475 336 E N -0.625 119.491 120.200 -0.141 0.000 2.046 336 E HA -0.119 4.236 4.350 0.008 0.000 0.190 336 E C 2.187 178.646 176.600 -0.234 0.000 0.982 336 E CA 0.513 56.770 56.400 -0.238 0.000 0.800 336 E CB -0.197 29.283 29.700 -0.366 0.000 0.756 336 E HN 0.398 nan 8.360 nan 0.000 0.449 337 W N 1.749 122.988 121.300 -0.102 0.000 2.342 337 W HA -0.180 4.484 4.660 0.007 0.000 0.297 337 W C 2.482 178.963 176.519 -0.063 0.000 1.213 337 W CA 0.740 58.018 57.345 -0.112 0.000 1.251 337 W CB 0.023 29.495 29.460 0.020 0.000 1.136 337 W HN 0.023 nan 8.180 nan 0.000 0.526 338 K N 0.094 120.542 120.400 0.079 0.000 2.057 338 K HA -0.203 4.122 4.320 0.008 0.000 0.207 338 K C 2.353 178.959 176.600 0.009 0.000 1.049 338 K CA 1.656 57.785 56.287 -0.264 0.000 0.931 338 K CB -0.426 31.721 32.500 -0.588 0.000 0.714 338 K HN -0.017 nan 8.250 nan 0.000 0.440 339 S N 0.066 115.762 115.700 -0.008 0.000 2.371 339 S HA -0.072 4.402 4.470 0.008 0.000 0.224 339 S C 1.831 176.486 174.600 0.092 0.000 1.029 339 S CA 0.665 58.890 58.200 0.042 0.000 0.978 339 S CB -0.153 63.031 63.200 -0.028 0.000 0.833 339 S HN 0.210 nan 8.310 nan 0.000 0.466 340 L N 1.716 122.949 121.223 0.017 0.000 2.012 340 L HA -0.056 4.288 4.340 0.008 0.000 0.210 340 L C 2.751 179.768 176.870 0.244 0.000 1.073 340 L CA 2.050 56.895 54.840 0.007 0.000 0.748 340 L CB -1.658 40.168 42.059 -0.388 0.000 0.891 340 L HN 0.313 nan 8.230 nan 0.000 0.431 341 T N -1.968 112.802 114.554 0.359 0.000 2.708 341 T HA -0.256 4.099 4.350 0.008 0.000 0.266 341 T C 1.772 176.679 174.700 0.345 0.000 1.037 341 T CA 1.508 63.924 62.100 0.527 0.000 1.146 341 T CB -0.499 68.806 68.868 0.729 0.000 0.865 341 T HN 0.255 nan 8.240 nan 0.000 0.435 342 Y N 2.499 122.853 120.300 0.090 0.000 2.151 342 Y HA -0.213 4.341 4.550 0.007 0.000 0.284 342 Y C 2.025 177.834 175.900 -0.152 0.000 1.166 342 Y CA 1.495 59.391 58.100 -0.339 0.000 1.163 342 Y CB -0.537 37.673 38.460 -0.417 0.000 0.974 342 Y HN 0.172 nan 8.280 nan 0.000 0.511 343 D N -0.138 120.247 120.400 -0.025 0.000 2.144 343 D HA -0.160 4.485 4.640 0.008 0.000 0.199 343 D C 1.982 178.257 176.300 -0.043 0.000 0.984 343 D CA 1.435 55.397 54.000 -0.062 0.000 0.834 343 D CB -0.172 40.654 40.800 0.043 0.000 0.955 343 D HN 0.484 nan 8.370 nan 0.000 0.465 344 E N 0.311 120.540 120.200 0.047 0.000 2.208 344 E HA -0.052 4.303 4.350 0.008 0.000 0.193 344 E C 2.392 179.020 176.600 0.047 0.000 0.988 344 E CA 0.145 56.591 56.400 0.078 0.000 0.828 344 E CB 0.061 29.835 29.700 0.124 0.000 0.763 344 E HN 0.176 nan 8.360 nan 0.000 0.478 345 V N 1.310 121.202 119.914 -0.036 0.000 2.270 345 V HA -0.240 3.885 4.120 0.008 0.000 0.245 345 V C 2.326 178.388 176.094 -0.054 0.000 1.043 345 V CA 1.326 63.592 62.300 -0.057 0.000 1.014 345 V CB -0.384 31.349 31.823 -0.150 0.000 0.645 345 V HN 0.132 nan 8.190 nan 0.000 0.447 346 I N 1.222 121.659 120.570 -0.223 0.000 2.286 346 I HA -0.187 3.988 4.170 0.008 0.000 0.248 346 I C 2.454 178.545 176.117 -0.044 0.000 1.115 346 I CA 1.959 63.143 61.300 -0.193 0.000 1.392 346 I CB -0.489 37.297 38.000 -0.357 0.000 1.065 346 I HN 0.444 nan 8.210 nan 0.000 0.418 347 S N -0.528 115.168 115.700 -0.007 0.000 2.593 347 S HA 0.014 4.489 4.470 0.008 0.000 0.217 347 S C 0.848 175.492 174.600 0.073 0.000 0.966 347 S CA -0.431 57.786 58.200 0.028 0.000 0.914 347 S CB -0.856 62.361 63.200 0.029 0.000 0.776 347 S HN 0.220 nan 8.310 nan 0.000 0.523 348 F N 3.183 123.126 119.950 -0.013 0.000 2.578 348 F HA 0.391 4.922 4.527 0.008 0.000 0.381 348 F C -0.375 175.432 175.800 0.013 0.000 1.069 348 F CA -0.418 57.587 58.000 0.008 0.000 1.231 348 F CB 0.572 39.584 39.000 0.021 0.000 1.086 348 F HN -0.077 nan 8.300 nan 0.000 0.564 349 V N 8.400 127.819 119.914 -0.825 0.000 2.384 349 V HA 0.327 4.452 4.120 0.008 0.000 0.287 349 V C -2.007 173.452 176.094 -1.058 0.000 1.020 349 V CA -1.888 60.007 62.300 -0.675 0.000 0.850 349 V CB 1.252 32.876 31.823 -0.333 0.000 0.987 349 V HN 0.672 nan 8.190 nan 0.000 0.436 350 P HA 0.196 nan 4.420 nan 0.000 0.267 350 P C -2.428 174.753 177.300 -0.198 0.000 1.200 350 P CA -0.773 62.137 63.100 -0.317 0.000 0.772 350 P CB -0.202 31.480 31.700 -0.029 0.000 0.855 351 P HA 0.210 nan 4.420 nan 0.000 0.272 351 P C -2.447 174.839 177.300 -0.024 0.000 1.230 351 P CA -1.367 61.711 63.100 -0.036 0.000 0.788 351 P CB -0.953 30.765 31.700 0.029 0.000 0.949 352 P HA -0.015 nan 4.420 nan 0.000 0.263 352 P C -0.392 176.905 177.300 -0.005 0.000 1.168 352 P CA 0.480 63.568 63.100 -0.019 0.000 0.759 352 P CB 0.057 31.747 31.700 -0.017 0.000 0.782 353 L N 4.055 125.273 121.223 -0.009 0.000 2.342 353 L HA 0.197 4.542 4.340 0.008 0.000 0.285 353 L C 0.688 177.558 176.870 0.001 0.000 1.095 353 L CA 0.435 55.272 54.840 -0.004 0.000 0.843 353 L CB -0.551 41.499 42.059 -0.014 0.000 1.201 353 L HN 0.551 nan 8.230 nan 0.000 0.445 354 D N 0.977 121.385 120.400 0.013 0.000 3.256 354 D HA 0.518 5.162 4.640 0.008 0.000 0.332 354 D C -0.083 176.249 176.300 0.052 0.000 1.327 354 D CA -0.145 53.873 54.000 0.031 0.000 0.735 354 D CB 0.604 41.420 40.800 0.026 0.000 1.280 354 D HN 0.494 nan 8.370 nan 0.000 0.572 355 Q N 0.000 119.829 119.800 0.049 0.000 2.315 355 Q HA 0.000 4.345 4.340 0.008 0.000 0.214 355 Q CA 0.000 nan 55.803 nan 0.000 1.022 355 Q CB 0.000 nan 28.738 nan 0.000 1.108 355 Q HN 0.000 nan 8.270 nan 0.000 0.481