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 1oiy_1_A DATA FIRST_RESID 0 DATA SEQUENCE SMENFQKVEK IGEGTYGVVY KARNKLTGEV VALKKIRLXX XTEGVPSTAI DATA SEQUENCE REISLLKELN HPNIVKLLDV IHTENKLYLV FEFLHQDLKK FMDASALTGI DATA SEQUENCE PLPLIKSYLF QLLQGLAFCH SHRVLHRDLK PQNLLINTEG AIKLADFGLA DATA SEQUENCE RAFGVPVRTY XHEVVTLWYR APEILLGCKY YSTAVDIWSL GCIFAEMVTR DATA SEQUENCE RALFPGDSEI DQLFRIFRTL GTPDEVVWPG VTSMPDYKPS FPKWARQDFS DATA SEQUENCE KVVPPLDEDG RSLLSQMLHY DPNKRISAKA ALAHPFFQDV TKPVPHL 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.595 174.600 -0.009 0.000 1.055 0 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 0 S CB 0.000 63.209 63.200 0.015 0.000 0.593 1 M N 2.523 122.098 119.600 -0.042 0.000 2.495 1 M HA 0.348 4.828 4.480 0.000 0.000 0.237 1 M C 1.470 177.759 176.300 -0.019 0.000 1.131 1 M CA 0.285 55.574 55.300 -0.020 0.000 1.032 1 M CB -1.032 31.455 32.600 -0.187 0.000 1.513 1 M HN 0.424 nan 8.290 nan 0.000 0.488 2 E N 1.441 121.606 120.200 -0.060 0.000 2.164 2 E HA -0.267 4.083 4.350 0.000 0.000 0.206 2 E C 0.867 177.386 176.600 -0.136 0.000 1.032 2 E CA 1.497 57.847 56.400 -0.083 0.000 0.832 2 E CB 0.158 29.810 29.700 -0.080 0.000 0.742 2 E HN 0.496 nan 8.360 nan 0.000 0.460 3 N N -0.567 117.980 118.700 -0.256 0.000 2.467 3 N HA -0.012 4.728 4.740 0.000 0.000 0.184 3 N C -0.297 174.907 175.510 -0.510 0.000 1.106 3 N CA 0.461 53.260 53.050 -0.417 0.000 0.892 3 N CB 0.047 38.215 38.487 -0.531 0.000 0.969 3 N HN 0.022 nan 8.380 nan 0.000 0.454 4 F N 0.635 120.528 119.950 -0.094 0.000 2.422 4 F HA 0.397 4.924 4.527 0.000 0.000 0.333 4 F C 0.593 176.338 175.800 -0.092 0.000 1.095 4 F CA -0.938 57.005 58.000 -0.095 0.000 1.038 4 F CB 1.253 40.183 39.000 -0.117 0.000 1.156 4 F HN -0.279 nan 8.300 nan 0.000 0.483 5 Q N 2.551 122.424 119.800 0.122 0.000 2.327 5 Q HA 0.350 4.690 4.340 0.000 0.000 0.270 5 Q C -0.931 175.092 176.000 0.038 0.000 1.022 5 Q CA -0.852 54.976 55.803 0.042 0.000 0.773 5 Q CB 1.367 30.111 28.738 0.010 0.000 1.251 5 Q HN 0.442 nan 8.270 nan 0.000 0.457 6 K N 1.451 121.854 120.400 0.004 0.000 2.414 6 K HA 0.172 4.492 4.320 0.000 0.000 0.272 6 K C -0.079 176.535 176.600 0.023 0.000 0.993 6 K CA 0.238 56.524 56.287 -0.002 0.000 0.964 6 K CB 0.765 33.228 32.500 -0.062 0.000 0.925 6 K HN 0.536 nan 8.250 nan 0.000 0.487 7 V N 1.414 121.355 119.914 0.045 0.000 3.251 7 V HA 0.114 4.234 4.120 0.000 0.000 0.239 7 V C -0.636 175.489 176.094 0.051 0.000 1.332 7 V CA 0.578 62.892 62.300 0.023 0.000 1.224 7 V CB 0.181 31.986 31.823 -0.029 0.000 1.004 7 V HN 0.975 nan 8.190 nan 0.000 0.464 8 E N -0.170 120.090 120.200 0.099 0.000 2.393 8 E HA 0.263 4.613 4.350 0.000 0.000 0.282 8 E C -1.131 175.547 176.600 0.131 0.000 1.096 8 E CA -0.825 55.639 56.400 0.105 0.000 0.866 8 E CB 1.364 31.096 29.700 0.052 0.000 1.232 8 E HN 0.095 nan 8.360 nan 0.000 0.431 9 K N 2.708 123.136 120.400 0.046 0.000 2.276 9 K HA 0.289 4.609 4.320 0.000 0.000 0.283 9 K C 0.288 176.800 176.600 -0.147 0.000 1.044 9 K CA -0.334 55.827 56.287 -0.211 0.000 0.944 9 K CB 0.631 32.944 32.500 -0.311 0.000 1.012 9 K HN 0.611 nan 8.250 nan 0.000 0.472 10 I N 2.070 122.533 120.570 -0.179 0.000 2.429 10 I HA 0.164 4.335 4.170 0.000 0.000 0.247 10 I C 1.182 177.227 176.117 -0.121 0.000 1.099 10 I CA 0.610 61.858 61.300 -0.087 0.000 1.422 10 I CB 0.127 38.106 38.000 -0.034 0.000 1.112 10 I HN 0.890 nan 8.210 nan 0.000 0.430 11 G N 0.573 109.264 108.800 -0.181 0.000 2.327 11 G HA2 0.215 4.175 3.960 0.000 0.000 0.291 11 G HA3 0.215 4.175 3.960 0.000 0.000 0.291 11 G C -1.673 173.124 174.900 -0.172 0.000 1.290 11 G CA -0.705 44.302 45.100 -0.155 0.000 0.857 11 G HN 0.090 nan 8.290 nan 0.000 0.520 12 E N -0.484 119.635 120.200 -0.135 0.000 2.218 12 E HA 0.556 4.907 4.350 0.000 0.000 0.263 12 E C 0.439 176.970 176.600 -0.115 0.000 0.879 12 E CA -0.460 55.864 56.400 -0.126 0.000 0.762 12 E CB 2.115 31.757 29.700 -0.096 0.000 1.166 12 E HN 0.734 nan 8.360 nan 0.000 0.415 13 G N 0.932 109.650 108.800 -0.137 0.000 2.945 13 G HA2 0.040 4.000 3.960 0.000 0.000 0.156 13 G HA3 0.040 4.000 3.960 0.000 0.000 0.156 13 G C 0.851 175.707 174.900 -0.073 0.000 1.375 13 G CA -0.075 44.951 45.100 -0.124 0.000 1.039 13 G HN 0.431 nan 8.290 nan 0.000 0.586 14 T N -0.249 114.282 114.554 -0.038 0.000 2.720 14 T HA 0.012 4.362 4.350 0.000 0.000 0.268 14 T C 0.278 175.084 174.700 0.176 0.000 1.037 14 T CA 2.265 64.409 62.100 0.074 0.000 1.144 14 T CB -0.479 68.480 68.868 0.151 0.000 0.864 14 T HN 0.550 nan 8.240 nan 0.000 0.444 15 Y N -2.007 118.282 120.300 -0.020 0.000 2.670 15 Y HA 0.584 5.134 4.550 0.000 0.000 0.334 15 Y C 0.098 175.994 175.900 -0.008 0.000 1.185 15 Y CA -1.369 56.724 58.100 -0.013 0.000 1.053 15 Y CB 0.722 39.179 38.460 -0.005 0.000 1.298 15 Y HN 0.301 nan 8.280 nan 0.000 0.459 16 G N 0.002 108.794 108.800 -0.015 0.000 2.796 16 G HA2 0.119 4.079 3.960 0.000 0.000 0.226 16 G HA3 0.119 4.079 3.960 0.000 0.000 0.226 16 G C -1.828 173.005 174.900 -0.112 0.000 1.381 16 G CA -0.421 44.618 45.100 -0.102 0.000 0.867 16 G HN 1.348 nan 8.290 nan 0.000 0.552 17 V N -0.454 119.414 119.914 -0.076 0.000 2.709 17 V HA 0.618 4.738 4.120 0.000 0.000 0.308 17 V C 0.377 176.409 176.094 -0.103 0.000 1.062 17 V CA -0.706 61.527 62.300 -0.112 0.000 0.901 17 V CB 1.829 33.611 31.823 -0.068 0.000 1.003 17 V HN 1.040 nan 8.190 nan 0.000 0.425 18 V N 4.613 124.403 119.914 -0.207 0.000 2.427 18 V HA 0.543 4.663 4.120 0.000 0.000 0.286 18 V C -1.020 174.932 176.094 -0.238 0.000 1.034 18 V CA -0.659 61.575 62.300 -0.110 0.000 0.893 18 V CB 1.254 33.013 31.823 -0.107 0.000 0.982 18 V HN 0.743 nan 8.190 nan 0.000 0.452 19 Y N 2.301 122.622 120.300 0.036 0.000 2.485 19 Y HA 0.510 5.060 4.550 0.000 0.000 0.345 19 Y C 0.260 176.190 175.900 0.050 0.000 0.998 19 Y CA -1.036 57.087 58.100 0.039 0.000 1.059 19 Y CB 1.678 40.160 38.460 0.037 0.000 1.234 19 Y HN 0.562 nan 8.280 nan 0.000 0.461 20 K N 1.942 122.454 120.400 0.186 0.000 2.185 20 K HA 0.830 5.150 4.320 0.000 0.000 0.271 20 K C -1.033 175.576 176.600 0.016 0.000 1.013 20 K CA -0.187 56.132 56.287 0.053 0.000 0.943 20 K CB 0.658 33.105 32.500 -0.088 0.000 0.998 20 K HN 0.847 nan 8.250 nan 0.000 0.468 21 A N 3.111 125.894 122.820 -0.061 0.000 2.610 21 A HA 0.541 4.861 4.320 0.000 0.000 0.291 21 A C -1.646 175.932 177.584 -0.009 0.000 1.086 21 A CA -1.174 50.854 52.037 -0.015 0.000 0.677 21 A CB 1.170 20.176 19.000 0.010 0.000 1.278 21 A HN 0.924 nan 8.150 nan 0.000 0.414 22 R N 0.826 121.364 120.500 0.063 0.000 2.803 22 R HA 0.662 5.002 4.340 0.000 0.000 0.276 22 R C -0.753 175.657 176.300 0.184 0.000 0.978 22 R CA -0.889 55.262 56.100 0.085 0.000 0.939 22 R CB 1.256 31.553 30.300 -0.004 0.000 1.179 22 R HN 0.558 nan 8.270 nan 0.000 0.472 23 N N 1.587 120.362 118.700 0.126 0.000 2.422 23 N HA 0.066 4.806 4.740 0.000 0.000 0.264 23 N C -0.139 175.296 175.510 -0.125 0.000 1.063 23 N CA -0.079 52.901 53.050 -0.117 0.000 0.959 23 N CB 1.405 39.819 38.487 -0.121 0.000 1.087 23 N HN 0.675 nan 8.380 nan 0.000 0.483 24 K N 2.848 123.141 120.400 -0.178 0.000 2.097 24 K HA 0.009 4.329 4.320 0.000 0.000 0.205 24 K C 1.506 178.045 176.600 -0.102 0.000 1.050 24 K CA 1.151 57.369 56.287 -0.114 0.000 0.938 24 K CB 0.162 32.592 32.500 -0.116 0.000 0.718 24 K HN 0.522 nan 8.250 nan 0.000 0.442 25 L N 0.237 121.381 121.223 -0.132 0.000 2.240 25 L HA -0.075 4.265 4.340 0.000 0.000 0.211 25 L C 2.292 179.117 176.870 -0.075 0.000 1.106 25 L CA 1.155 55.935 54.840 -0.100 0.000 0.793 25 L CB -0.309 41.681 42.059 -0.114 0.000 0.927 25 L HN 0.337 nan 8.230 nan 0.000 0.446 26 T N -5.527 108.982 114.554 -0.075 0.000 3.000 26 T HA 0.323 4.673 4.350 0.000 0.000 0.248 26 T C 1.516 176.201 174.700 -0.024 0.000 1.034 26 T CA 0.584 62.658 62.100 -0.043 0.000 1.060 26 T CB 0.971 69.818 68.868 -0.035 0.000 0.983 26 T HN 0.322 nan 8.240 nan 0.000 0.482 27 G N 1.486 110.271 108.800 -0.025 0.000 2.232 27 G HA2 -0.240 3.721 3.960 0.000 0.000 0.226 27 G HA3 -0.240 3.721 3.960 0.000 0.000 0.226 27 G C -0.082 174.822 174.900 0.007 0.000 0.996 27 G CA 0.115 45.209 45.100 -0.010 0.000 0.626 27 G HN 0.847 nan 8.290 nan 0.000 0.509 28 E N 1.442 121.656 120.200 0.024 0.000 2.351 28 E HA 0.395 4.745 4.350 0.000 0.000 0.266 28 E C 0.769 177.406 176.600 0.062 0.000 1.031 28 E CA -0.343 56.088 56.400 0.053 0.000 0.911 28 E CB 0.624 30.369 29.700 0.075 0.000 0.986 28 E HN 0.305 nan 8.360 nan 0.000 0.446 29 V N 5.335 125.260 119.914 0.018 0.000 2.585 29 V HA 0.115 4.236 4.120 0.000 0.000 0.296 29 V C 0.523 176.641 176.094 0.040 0.000 1.035 29 V CA -0.076 62.185 62.300 -0.065 0.000 1.084 29 V CB 0.258 31.947 31.823 -0.222 0.000 0.953 29 V HN 0.515 nan 8.190 nan 0.000 0.483 30 V N 1.806 121.735 119.914 0.025 0.000 3.007 30 V HA 0.987 5.107 4.120 0.000 0.000 0.311 30 V C -0.072 176.104 176.094 0.137 0.000 1.120 30 V CA -0.809 61.560 62.300 0.115 0.000 0.980 30 V CB 1.968 33.827 31.823 0.060 0.000 1.033 30 V HN 1.193 nan 8.190 nan 0.000 0.429 31 A N 4.947 127.921 122.820 0.257 0.000 2.269 31 A HA 0.784 5.104 4.320 0.000 0.000 0.302 31 A C -0.381 177.329 177.584 0.210 0.000 1.266 31 A CA -0.516 51.675 52.037 0.258 0.000 0.894 31 A CB -0.036 19.105 19.000 0.234 0.000 1.147 31 A HN 0.997 nan 8.150 nan 0.000 0.537 32 L N 2.912 124.227 121.223 0.154 0.000 2.265 32 L HA 0.382 4.722 4.340 0.000 0.000 0.289 32 L C 0.445 177.478 176.870 0.272 0.000 1.033 32 L CA -0.369 54.560 54.840 0.148 0.000 0.814 32 L CB 1.356 43.439 42.059 0.040 0.000 1.203 32 L HN 0.730 nan 8.230 nan 0.000 0.423 33 K N 4.897 125.463 120.400 0.276 0.000 2.253 33 K HA 0.238 4.559 4.320 0.000 0.000 0.277 33 K C -0.514 176.136 176.600 0.082 0.000 1.053 33 K CA -0.597 55.796 56.287 0.178 0.000 0.892 33 K CB 0.847 33.484 32.500 0.229 0.000 1.102 33 K HN 0.353 nan 8.250 nan 0.000 0.469 34 K N 6.295 126.713 120.400 0.030 0.000 2.185 34 K HA 0.281 4.601 4.320 0.000 0.000 0.269 34 K C -1.020 175.475 176.600 -0.174 0.000 0.987 34 K CA -0.510 55.619 56.287 -0.263 0.000 0.865 34 K CB 0.728 33.123 32.500 -0.175 0.000 1.090 34 K HN 0.639 nan 8.250 nan 0.000 0.450 35 I N 4.843 125.279 120.570 -0.225 0.000 2.420 35 I HA 0.308 4.479 4.170 0.000 0.000 0.282 35 I C 0.285 176.357 176.117 -0.075 0.000 1.019 35 I CA -0.748 60.525 61.300 -0.045 0.000 1.130 35 I CB 1.533 39.586 38.000 0.087 0.000 1.262 35 I HN 0.424 nan 8.210 nan 0.000 0.454 36 R N 5.888 126.367 120.500 -0.035 0.000 2.401 36 R HA 0.433 4.773 4.340 0.000 0.000 0.299 36 R C -0.496 175.810 176.300 0.010 0.000 1.064 36 R CA -0.025 56.065 56.100 -0.017 0.000 1.000 36 R CB 0.657 30.959 30.300 0.004 0.000 0.973 36 R HN 0.567 nan 8.270 nan 0.000 0.438 42 E N 0.362 120.565 120.200 0.005 0.000 2.660 42 E HA 0.429 4.779 4.350 0.000 0.000 0.216 42 E C 0.996 177.597 176.600 0.001 0.000 0.986 42 E CA 0.572 56.974 56.400 0.002 0.000 1.037 42 E CB 0.749 30.447 29.700 -0.003 0.000 1.041 42 E HN 1.094 nan 8.360 nan 0.000 0.480 43 G N 1.172 109.977 108.800 0.007 0.000 2.528 43 G HA2 -0.324 3.636 3.960 0.000 0.000 0.262 43 G HA3 -0.324 3.636 3.960 0.000 0.000 0.262 43 G C 0.016 174.918 174.900 0.003 0.000 1.200 43 G CA -0.166 44.942 45.100 0.014 0.000 0.951 43 G HN 0.094 nan 8.290 nan 0.000 0.566 44 V N 3.582 123.497 119.914 0.001 0.000 2.470 44 V HA 0.396 4.517 4.120 0.000 0.000 0.276 44 V C -1.333 174.722 176.094 -0.065 0.000 1.040 44 V CA -0.417 61.866 62.300 -0.028 0.000 1.008 44 V CB 0.893 32.698 31.823 -0.030 0.000 0.990 44 V HN 0.634 nan 8.190 nan 0.000 0.477 45 P HA 0.114 nan 4.420 nan 0.000 0.268 45 P C 0.935 178.127 177.300 -0.180 0.000 1.205 45 P CA -0.080 62.931 63.100 -0.148 0.000 0.771 45 P CB 0.652 32.216 31.700 -0.228 0.000 0.858 46 S N 1.002 116.622 115.700 -0.133 0.000 2.419 46 S HA -0.193 4.277 4.470 0.000 0.000 0.233 46 S C 1.668 176.171 174.600 -0.161 0.000 1.016 46 S CA 1.735 59.869 58.200 -0.111 0.000 0.974 46 S CB -1.731 61.432 63.200 -0.062 0.000 0.786 46 S HN 0.626 nan 8.310 nan 0.000 0.492 47 T N 0.217 114.614 114.554 -0.261 0.000 2.833 47 T HA 0.125 4.475 4.350 0.000 0.000 0.269 47 T C 1.902 176.322 174.700 -0.468 0.000 1.054 47 T CA 1.039 62.935 62.100 -0.339 0.000 1.135 47 T CB -0.695 67.918 68.868 -0.425 0.000 0.869 47 T HN 0.564 nan 8.240 nan 0.000 0.466 48 A N 0.901 123.345 122.820 -0.626 0.000 1.975 48 A HA 0.342 4.662 4.320 0.000 0.000 0.215 48 A C 2.316 179.832 177.584 -0.114 0.000 1.170 48 A CA 0.534 52.352 52.037 -0.366 0.000 0.656 48 A CB -0.596 18.231 19.000 -0.289 0.000 0.821 48 A HN 0.544 nan 8.150 nan 0.000 0.449 49 I N -0.838 119.656 120.570 -0.127 0.000 2.315 49 I HA -0.221 3.949 4.170 0.000 0.000 0.248 49 I C 2.757 178.856 176.117 -0.031 0.000 1.117 49 I CA 1.069 62.329 61.300 -0.068 0.000 1.404 49 I CB -0.164 37.799 38.000 -0.062 0.000 1.071 49 I HN 0.285 nan 8.210 nan 0.000 0.419 50 R N 0.338 120.823 120.500 -0.024 0.000 2.055 50 R HA -0.156 4.184 4.340 0.000 0.000 0.226 50 R C 2.202 178.539 176.300 0.060 0.000 1.135 50 R CA 1.340 57.451 56.100 0.018 0.000 0.959 50 R CB -0.380 29.934 30.300 0.023 0.000 0.854 50 R HN 0.289 nan 8.270 nan 0.000 0.431 51 E N 1.272 121.534 120.200 0.103 0.000 2.065 51 E HA -0.250 4.100 4.350 0.000 0.000 0.201 51 E C 1.847 178.508 176.600 0.102 0.000 1.016 51 E CA 1.797 58.308 56.400 0.184 0.000 0.818 51 E CB -0.121 29.778 29.700 0.333 0.000 0.749 51 E HN 0.267 nan 8.360 nan 0.000 0.453 52 I N 0.920 121.529 120.570 0.065 0.000 2.113 52 I HA -0.291 3.879 4.170 0.000 0.000 0.238 52 I C 2.809 178.914 176.117 -0.020 0.000 1.070 52 I CA 1.396 62.696 61.300 -0.001 0.000 1.332 52 I CB -0.658 37.324 38.000 -0.029 0.000 1.044 52 I HN 0.270 nan 8.210 nan 0.000 0.402 53 S N 1.519 117.212 115.700 -0.010 0.000 2.374 53 S HA -0.178 4.292 4.470 0.000 0.000 0.227 53 S C 1.973 176.567 174.600 -0.010 0.000 1.037 53 S CA 1.241 59.435 58.200 -0.010 0.000 1.024 53 S CB -0.895 62.302 63.200 -0.004 0.000 0.861 53 S HN 0.412 nan 8.310 nan 0.000 0.456 54 L N -0.247 120.975 121.223 -0.002 0.000 2.127 54 L HA 0.091 4.431 4.340 0.000 0.000 0.203 54 L C 2.536 179.350 176.870 -0.093 0.000 1.080 54 L CA 0.448 55.280 54.840 -0.012 0.000 0.768 54 L CB -0.558 41.528 42.059 0.046 0.000 0.924 54 L HN 0.274 nan 8.230 nan 0.000 0.444 55 L N 0.403 121.546 121.223 -0.134 0.000 2.079 55 L HA -0.205 4.135 4.340 0.000 0.000 0.210 55 L C 2.471 179.267 176.870 -0.123 0.000 1.081 55 L CA 1.680 56.402 54.840 -0.198 0.000 0.752 55 L CB -0.823 41.166 42.059 -0.116 0.000 0.896 55 L HN 0.171 nan 8.230 nan 0.000 0.433 56 K N -0.789 119.563 120.400 -0.081 0.000 2.152 56 K HA -0.196 4.124 4.320 0.000 0.000 0.206 56 K C 1.918 178.494 176.600 -0.040 0.000 1.048 56 K CA 1.413 57.665 56.287 -0.058 0.000 0.933 56 K CB -0.015 32.460 32.500 -0.042 0.000 0.721 56 K HN 0.443 nan 8.250 nan 0.000 0.447 57 E N 0.232 120.412 120.200 -0.033 0.000 2.190 57 E HA 0.023 4.373 4.350 0.000 0.000 0.191 57 E C 0.019 176.620 176.600 0.002 0.000 0.978 57 E CA 0.138 56.534 56.400 -0.006 0.000 0.839 57 E CB 0.303 30.009 29.700 0.009 0.000 0.787 57 E HN 0.157 nan 8.360 nan 0.000 0.473 58 L N 3.256 124.461 121.223 -0.029 0.000 2.334 58 L HA 0.164 4.504 4.340 0.000 0.000 0.286 58 L C -0.020 176.783 176.870 -0.112 0.000 1.108 58 L CA -0.364 54.483 54.840 0.012 0.000 0.875 58 L CB -0.108 41.885 42.059 -0.109 0.000 1.246 58 L HN 0.064 nan 8.230 nan 0.000 0.439 59 N N 3.826 122.436 118.700 -0.150 0.000 2.524 59 N HA 0.241 4.981 4.740 0.000 0.000 0.261 59 N C -1.355 173.866 175.510 -0.481 0.000 0.998 59 N CA -0.436 52.478 53.050 -0.227 0.000 0.915 59 N CB 1.350 39.776 38.487 -0.102 0.000 1.187 59 N HN 0.613 nan 8.380 nan 0.000 0.507 60 H N 2.719 121.445 119.070 -0.574 0.000 3.046 60 H HA 0.375 4.931 4.556 0.000 0.000 0.363 60 H C -2.115 173.012 175.328 -0.334 0.000 1.203 60 H CA -1.059 54.592 56.048 -0.663 0.000 1.169 60 H CB 2.226 31.337 29.762 -1.086 0.000 1.851 60 H HN 0.251 nan 8.280 nan 0.000 0.546 61 P HA -0.060 nan 4.420 nan 0.000 0.222 61 P C -0.153 177.058 177.300 -0.149 0.000 1.147 61 P CA 1.200 64.084 63.100 -0.361 0.000 0.790 61 P CB 0.293 31.754 31.700 -0.399 0.000 0.780 62 N N -0.967 117.775 118.700 0.070 0.000 2.235 62 N HA 0.182 4.922 4.740 0.000 0.000 0.209 62 N C 0.074 175.647 175.510 0.105 0.000 1.122 62 N CA -0.094 53.031 53.050 0.124 0.000 0.845 62 N CB 0.295 38.867 38.487 0.142 0.000 1.004 62 N HN 0.130 nan 8.380 nan 0.000 0.499 63 I N 1.102 121.726 120.570 0.089 0.000 2.362 63 I HA 0.197 4.367 4.170 0.000 0.000 0.289 63 I C 0.137 176.270 176.117 0.028 0.000 0.994 63 I CA -0.957 60.381 61.300 0.064 0.000 1.158 63 I CB 1.778 39.777 38.000 -0.001 0.000 1.315 63 I HN -0.160 nan 8.210 nan 0.000 0.451 64 V N 7.365 127.323 119.914 0.074 0.000 2.720 64 V HA -0.059 4.061 4.120 0.000 0.000 0.307 64 V C 0.377 176.534 176.094 0.104 0.000 1.071 64 V CA 0.543 62.880 62.300 0.063 0.000 1.199 64 V CB 0.782 32.629 31.823 0.040 0.000 0.900 64 V HN 0.748 nan 8.190 nan 0.000 0.494 65 K N 5.689 126.159 120.400 0.117 0.000 2.213 65 K HA 0.442 4.762 4.320 0.000 0.000 0.270 65 K C -0.836 175.846 176.600 0.137 0.000 1.002 65 K CA -0.847 55.487 56.287 0.078 0.000 0.868 65 K CB 1.303 33.814 32.500 0.018 0.000 1.093 65 K HN 0.653 nan 8.250 nan 0.000 0.454 66 L N 6.603 127.836 121.223 0.017 0.000 2.283 66 L HA 0.179 4.519 4.340 0.000 0.000 0.287 66 L C 0.265 177.048 176.870 -0.145 0.000 1.073 66 L CA 0.265 54.980 54.840 -0.209 0.000 0.822 66 L CB 0.555 42.434 42.059 -0.300 0.000 1.186 66 L HN 0.837 nan 8.230 nan 0.000 0.436 67 L N 2.957 124.099 121.223 -0.135 0.000 2.209 67 L HA 0.291 4.631 4.340 0.000 0.000 0.207 67 L C 0.096 176.927 176.870 -0.066 0.000 1.094 67 L CA 0.404 55.207 54.840 -0.062 0.000 0.790 67 L CB -0.148 41.909 42.059 -0.003 0.000 0.932 67 L HN 0.645 nan 8.230 nan 0.000 0.447 68 D N -1.965 118.367 120.400 -0.114 0.000 2.685 68 D HA 0.329 4.970 4.640 0.000 0.000 0.236 68 D C -1.536 174.706 176.300 -0.095 0.000 1.233 68 D CA -0.210 53.752 54.000 -0.064 0.000 0.760 68 D CB 2.464 43.273 40.800 0.014 0.000 1.410 68 D HN -0.342 nan 8.370 nan 0.000 0.439 69 V N 2.861 122.749 119.914 -0.043 0.000 2.409 69 V HA 0.495 4.615 4.120 0.000 0.000 0.290 69 V C 0.019 176.146 176.094 0.055 0.000 1.017 69 V CA -0.586 61.700 62.300 -0.023 0.000 0.841 69 V CB 1.303 33.095 31.823 -0.051 0.000 1.003 69 V HN 0.439 nan 8.190 nan 0.000 0.426 70 I N 4.651 125.282 120.570 0.102 0.000 2.307 70 I HA 0.379 4.549 4.170 0.000 0.000 0.289 70 I C 0.036 176.297 176.117 0.242 0.000 1.021 70 I CA -0.028 61.366 61.300 0.155 0.000 1.224 70 I CB 0.558 38.638 38.000 0.133 0.000 1.376 70 I HN 0.654 nan 8.210 nan 0.000 0.470 71 H N 5.369 124.491 119.070 0.085 0.000 2.587 71 H HA 0.484 5.040 4.556 0.000 0.000 0.325 71 H C -0.819 174.550 175.328 0.069 0.000 1.012 71 H CA -0.431 55.660 56.048 0.072 0.000 1.213 71 H CB 1.086 30.874 29.762 0.042 0.000 1.431 71 H HN 0.506 nan 8.280 nan 0.000 0.492 72 T N 2.582 117.265 114.554 0.215 0.000 2.910 72 T HA 0.005 4.355 4.350 0.000 0.000 0.287 72 T C 1.249 175.953 174.700 0.006 0.000 1.050 72 T CA -0.730 61.412 62.100 0.069 0.000 1.011 72 T CB 1.755 70.706 68.868 0.139 0.000 1.195 72 T HN 0.835 nan 8.240 nan 0.000 0.540 73 E N 0.663 120.856 120.200 -0.011 0.000 2.158 73 E HA -0.104 4.246 4.350 0.000 0.000 0.191 73 E C 0.748 177.364 176.600 0.027 0.000 0.982 73 E CA 1.360 57.749 56.400 -0.018 0.000 0.823 73 E CB -0.049 29.636 29.700 -0.024 0.000 0.766 73 E HN 0.580 nan 8.360 nan 0.000 0.468 74 N N 0.030 118.756 118.700 0.043 0.000 2.454 74 N HA 0.115 4.855 4.740 0.000 0.000 0.177 74 N C -0.141 175.400 175.510 0.051 0.000 1.049 74 N CA 0.227 53.304 53.050 0.045 0.000 0.887 74 N CB 0.461 38.972 38.487 0.041 0.000 1.095 74 N HN -0.078 nan 8.380 nan 0.000 0.446 75 K N 0.225 120.670 120.400 0.076 0.000 2.371 75 K HA 0.465 4.785 4.320 0.000 0.000 0.251 75 K C -1.717 174.939 176.600 0.093 0.000 0.934 75 K CA -0.862 55.450 56.287 0.041 0.000 0.798 75 K CB 2.505 35.038 32.500 0.054 0.000 1.204 75 K HN -0.074 nan 8.250 nan 0.000 0.427 76 L N 2.729 123.945 121.223 -0.012 0.000 2.341 76 L HA 0.492 4.832 4.340 0.000 0.000 0.278 76 L C -1.831 174.960 176.870 -0.132 0.000 1.005 76 L CA -0.316 54.546 54.840 0.036 0.000 0.818 76 L CB 0.932 42.992 42.059 0.002 0.000 1.259 76 L HN 0.510 nan 8.230 nan 0.000 0.418 77 Y N 5.050 125.369 120.300 0.032 0.000 2.350 77 Y HA 0.583 5.133 4.550 0.000 0.000 0.338 77 Y C -0.660 175.205 175.900 -0.058 0.000 0.961 77 Y CA -0.693 57.403 58.100 -0.005 0.000 1.100 77 Y CB 1.834 40.277 38.460 -0.028 0.000 1.179 77 Y HN 0.397 nan 8.280 nan 0.000 0.454 78 L N 4.656 125.915 121.223 0.061 0.000 2.272 78 L HA 0.587 4.927 4.340 0.000 0.000 0.289 78 L C -0.783 175.974 176.870 -0.188 0.000 1.032 78 L CA -1.153 53.599 54.840 -0.146 0.000 0.810 78 L CB 1.096 42.999 42.059 -0.260 0.000 1.205 78 L HN 0.279 nan 8.230 nan 0.000 0.422 79 V N 3.913 123.652 119.914 -0.291 0.000 2.318 79 V HA 0.363 4.483 4.120 0.000 0.000 0.271 79 V C -0.163 175.772 176.094 -0.265 0.000 1.030 79 V CA -0.099 62.066 62.300 -0.226 0.000 0.844 79 V CB 0.585 32.294 31.823 -0.190 0.000 1.015 79 V HN 0.421 nan 8.190 nan 0.000 0.460 80 F N 2.505 122.441 119.950 -0.024 0.000 2.458 80 F HA 0.410 4.937 4.527 0.000 0.000 0.330 80 F C 0.881 176.696 175.800 0.024 0.000 1.082 80 F CA -0.839 57.160 58.000 -0.001 0.000 0.995 80 F CB 1.280 40.280 39.000 -0.000 0.000 1.170 80 F HN 0.614 nan 8.300 nan 0.000 0.478 81 E N 2.600 122.943 120.200 0.239 0.000 2.481 81 E HA -0.084 4.266 4.350 0.000 0.000 0.263 81 E C -1.386 175.316 176.600 0.170 0.000 0.992 81 E CA -0.140 56.361 56.400 0.170 0.000 0.938 81 E CB 0.565 30.329 29.700 0.107 0.000 0.933 81 E HN 0.509 nan 8.360 nan 0.000 0.453 82 F N 4.120 124.072 119.950 0.002 0.000 2.421 82 F HA 0.478 5.005 4.527 0.000 0.000 0.337 82 F C -1.372 174.347 175.800 -0.135 0.000 1.105 82 F CA -0.796 57.163 58.000 -0.068 0.000 1.049 82 F CB 0.794 39.740 39.000 -0.089 0.000 1.139 82 F HN 0.439 nan 8.300 nan 0.000 0.479 83 L N 5.331 125.927 121.223 -1.045 0.000 2.301 83 L HA 0.373 4.713 4.340 0.000 0.000 0.264 83 L C 0.906 177.018 176.870 -1.264 0.000 1.016 83 L CA -0.581 53.775 54.840 -0.806 0.000 0.821 83 L CB 1.842 43.657 42.059 -0.407 0.000 1.346 83 L HN 0.630 nan 8.230 nan 0.000 0.429 84 H N 0.012 118.771 119.070 -0.519 0.000 2.497 84 H HA 0.147 4.703 4.556 0.000 0.000 0.282 84 H C 0.052 175.263 175.328 -0.195 0.000 1.003 84 H CA 0.510 56.384 56.048 -0.289 0.000 1.307 84 H CB 1.083 30.807 29.762 -0.063 0.000 1.437 84 H HN 0.557 nan 8.280 nan 0.000 0.544 85 Q N 1.207 120.934 119.800 -0.122 0.000 2.874 85 Q HA 0.146 4.486 4.340 0.000 0.000 0.303 85 Q C -2.039 173.889 176.000 -0.121 0.000 0.876 85 Q CA -0.843 54.914 55.803 -0.077 0.000 0.765 85 Q CB 1.719 30.474 28.738 0.029 0.000 1.478 85 Q HN 0.168 nan 8.270 nan 0.000 0.434 86 D N 0.463 120.817 120.400 -0.076 0.000 2.272 86 D HA 0.263 4.903 4.640 0.000 0.000 0.247 86 D C 0.675 176.961 176.300 -0.022 0.000 0.990 86 D CA -0.762 53.183 54.000 -0.091 0.000 0.931 86 D CB 1.110 41.856 40.800 -0.089 0.000 1.195 86 D HN 0.484 nan 8.370 nan 0.000 0.477 87 L N 0.982 122.172 121.223 -0.055 0.000 2.043 87 L HA -0.169 4.171 4.340 0.000 0.000 0.212 87 L C 2.132 179.084 176.870 0.137 0.000 1.075 87 L CA 2.011 56.876 54.840 0.041 0.000 0.752 87 L CB -0.815 41.231 42.059 -0.022 0.000 0.891 87 L HN 0.730 nan 8.230 nan 0.000 0.432 88 K N -0.541 119.897 120.400 0.063 0.000 1.991 88 K HA -0.269 4.052 4.320 0.000 0.000 0.212 88 K C 2.338 178.985 176.600 0.079 0.000 1.049 88 K CA 1.908 58.236 56.287 0.070 0.000 0.932 88 K CB -0.289 32.231 32.500 0.034 0.000 0.717 88 K HN 0.219 nan 8.250 nan 0.000 0.441 89 K N -0.282 120.158 120.400 0.067 0.000 2.113 89 K HA -0.211 4.109 4.320 0.000 0.000 0.208 89 K C 2.112 178.781 176.600 0.116 0.000 1.047 89 K CA 1.796 58.126 56.287 0.071 0.000 0.928 89 K CB -0.243 32.291 32.500 0.055 0.000 0.716 89 K HN 0.204 nan 8.250 nan 0.000 0.446 90 F N 1.029 120.983 119.950 0.006 0.000 2.163 90 F HA -0.076 4.451 4.527 0.000 0.000 0.297 90 F C 2.061 177.886 175.800 0.041 0.000 1.094 90 F CA 1.244 59.259 58.000 0.026 0.000 1.290 90 F CB -0.103 38.924 39.000 0.045 0.000 1.017 90 F HN -0.053 nan 8.300 nan 0.000 0.483 91 M N 0.059 119.690 119.600 0.052 0.000 2.213 91 M HA -0.190 4.290 4.480 0.000 0.000 0.263 91 M C 1.506 177.755 176.300 -0.085 0.000 1.062 91 M CA 1.528 56.802 55.300 -0.044 0.000 1.105 91 M CB -0.604 32.042 32.600 0.077 0.000 1.385 91 M HN 0.087 nan 8.290 nan 0.000 0.417 92 D N 0.728 121.105 120.400 -0.039 0.000 2.178 92 D HA -0.059 4.582 4.640 0.000 0.000 0.202 92 D C 1.945 178.200 176.300 -0.077 0.000 0.974 92 D CA 1.376 55.354 54.000 -0.037 0.000 0.841 92 D CB -0.132 40.666 40.800 -0.003 0.000 0.953 92 D HN 0.344 nan 8.370 nan 0.000 0.478 93 A N 0.590 123.336 122.820 -0.123 0.000 1.968 93 A HA -0.047 4.273 4.320 0.000 0.000 0.217 93 A C 2.226 179.671 177.584 -0.231 0.000 1.169 93 A CA 0.892 52.834 52.037 -0.158 0.000 0.638 93 A CB -0.180 18.725 19.000 -0.159 0.000 0.812 93 A HN 0.107 nan 8.150 nan 0.000 0.446 94 S N 0.138 115.626 115.700 -0.353 0.000 2.607 94 S HA 0.256 4.726 4.470 0.000 0.000 0.224 94 S C 1.966 176.473 174.600 -0.155 0.000 0.969 94 S CA 0.582 58.587 58.200 -0.326 0.000 0.927 94 S CB -0.344 62.573 63.200 -0.472 0.000 0.772 94 S HN 0.821 nan 8.310 nan 0.000 0.533 95 A N 2.215 124.963 122.820 -0.119 0.000 1.853 95 A HA -0.291 4.029 4.320 0.000 0.000 0.255 95 A C 1.896 179.448 177.584 -0.053 0.000 2.273 95 A CA 2.254 54.250 52.037 -0.069 0.000 0.797 95 A CB -0.986 17.982 19.000 -0.054 0.000 0.844 95 A HN 0.524 nan 8.150 nan 0.000 0.520 96 L N -2.547 118.647 121.223 -0.048 0.000 2.296 96 L HA -0.032 4.308 4.340 0.000 0.000 0.193 96 L C 2.815 179.669 176.870 -0.027 0.000 1.123 96 L CA 1.160 55.982 54.840 -0.030 0.000 0.805 96 L CB -1.008 41.040 42.059 -0.019 0.000 1.004 96 L HN 0.546 nan 8.230 nan 0.000 0.478 97 T N -0.021 114.519 114.554 -0.022 0.000 2.656 97 T HA -0.202 4.148 4.350 0.000 0.000 0.262 97 T C 1.092 175.779 174.700 -0.022 0.000 1.070 97 T CA 1.050 63.141 62.100 -0.015 0.000 1.160 97 T CB -1.278 67.586 68.868 -0.005 0.000 0.855 97 T HN 0.632 nan 8.240 nan 0.000 0.456 98 G N 0.972 109.749 108.800 -0.039 0.000 2.731 98 G HA2 -0.121 3.839 3.960 0.000 0.000 0.686 98 G HA3 -0.121 3.839 3.960 0.000 0.000 0.686 98 G C -0.502 174.390 174.900 -0.014 0.000 1.395 98 G CA -0.530 44.553 45.100 -0.029 0.000 0.870 98 G HN 0.694 nan 8.290 nan 0.000 0.591 99 I N 2.713 123.293 120.570 0.016 0.000 2.337 99 I HA 0.194 4.364 4.170 0.000 0.000 0.291 99 I C -1.675 174.489 176.117 0.078 0.000 1.046 99 I CA -1.568 59.780 61.300 0.079 0.000 1.324 99 I CB 1.025 39.128 38.000 0.171 0.000 1.409 99 I HN 0.204 nan 8.210 nan 0.000 0.494 100 P HA 0.066 nan 4.420 nan 0.000 0.268 100 P C 1.106 178.433 177.300 0.045 0.000 1.204 100 P CA -0.303 62.822 63.100 0.042 0.000 0.768 100 P CB 0.965 32.680 31.700 0.025 0.000 0.842 101 L N 4.448 125.703 121.223 0.053 0.000 2.034 101 L HA -0.214 4.126 4.340 0.000 0.000 0.217 101 L C -0.714 176.165 176.870 0.016 0.000 1.077 101 L CA 2.698 57.583 54.840 0.076 0.000 0.769 101 L CB -1.548 40.554 42.059 0.072 0.000 0.890 101 L HN 0.427 nan 8.230 nan 0.000 0.435 102 P HA -0.194 nan 4.420 nan 0.000 0.216 102 P C 1.611 178.845 177.300 -0.109 0.000 1.150 102 P CA 1.088 64.138 63.100 -0.083 0.000 0.837 102 P CB 0.032 31.690 31.700 -0.071 0.000 0.786 103 L N -0.917 120.238 121.223 -0.114 0.000 2.109 103 L HA -0.067 4.273 4.340 0.000 0.000 0.207 103 L C 2.123 178.823 176.870 -0.282 0.000 1.086 103 L CA 1.547 56.228 54.840 -0.265 0.000 0.760 103 L CB -1.096 40.829 42.059 -0.223 0.000 0.910 103 L HN -0.116 nan 8.230 nan 0.000 0.437 104 I N -0.443 120.101 120.570 -0.042 0.000 2.163 104 I HA -0.355 3.815 4.170 0.000 0.000 0.243 104 I C 2.533 178.721 176.117 0.119 0.000 1.085 104 I CA 1.699 63.067 61.300 0.114 0.000 1.347 104 I CB -0.415 37.736 38.000 0.251 0.000 1.044 104 I HN 0.311 nan 8.210 nan 0.000 0.408 105 K N 0.551 120.984 120.400 0.055 0.000 2.057 105 K HA -0.201 4.119 4.320 0.000 0.000 0.207 105 K C 2.383 179.068 176.600 0.142 0.000 1.049 105 K CA 1.744 58.042 56.287 0.019 0.000 0.931 105 K CB -0.094 32.221 32.500 -0.309 0.000 0.714 105 K HN 0.103 nan 8.250 nan 0.000 0.440 106 S N -0.447 115.263 115.700 0.017 0.000 2.353 106 S HA -0.174 4.296 4.470 0.000 0.000 0.222 106 S C 1.918 176.634 174.600 0.194 0.000 1.035 106 S CA 1.215 59.446 58.200 0.052 0.000 1.025 106 S CB -0.422 62.728 63.200 -0.083 0.000 0.902 106 S HN 0.396 nan 8.310 nan 0.000 0.440 107 Y N 1.079 121.420 120.300 0.067 0.000 2.224 107 Y HA -0.005 4.545 4.550 0.000 0.000 0.289 107 Y C 2.275 178.204 175.900 0.049 0.000 1.146 107 Y CA 0.553 58.673 58.100 0.034 0.000 1.182 107 Y CB -1.179 37.295 38.460 0.024 0.000 0.983 107 Y HN 0.303 nan 8.280 nan 0.000 0.524 108 L N -1.194 120.183 121.223 0.257 0.000 2.093 108 L HA -0.176 4.164 4.340 0.000 0.000 0.208 108 L C 2.176 179.144 176.870 0.163 0.000 1.085 108 L CA 1.443 56.390 54.840 0.178 0.000 0.755 108 L CB -0.999 41.104 42.059 0.073 0.000 0.904 108 L HN 0.089 nan 8.230 nan 0.000 0.435 109 F N 0.166 120.072 119.950 -0.073 0.000 2.113 109 F HA -0.193 4.334 4.527 0.000 0.000 0.297 109 F C 2.497 178.174 175.800 -0.205 0.000 1.103 109 F CA 1.763 59.506 58.000 -0.428 0.000 1.248 109 F CB -0.431 38.289 39.000 -0.467 0.000 0.999 109 F HN 0.208 nan 8.300 nan 0.000 0.475 110 Q N 0.016 119.819 119.800 0.006 0.000 2.050 110 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 110 Q C 2.351 178.300 176.000 -0.086 0.000 0.980 110 Q CA 2.076 57.850 55.803 -0.048 0.000 0.840 110 Q CB -0.458 28.318 28.738 0.063 0.000 0.898 110 Q HN 0.432 nan 8.270 nan 0.000 0.424 111 L N 0.318 121.511 121.223 -0.050 0.000 2.083 111 L HA -0.217 4.123 4.340 0.000 0.000 0.209 111 L C 2.279 179.083 176.870 -0.109 0.000 1.083 111 L CA 0.879 55.672 54.840 -0.078 0.000 0.752 111 L CB -0.403 41.625 42.059 -0.052 0.000 0.899 111 L HN 0.242 nan 8.230 nan 0.000 0.433 112 L N -0.969 120.181 121.223 -0.122 0.000 2.141 112 L HA -0.205 4.135 4.340 0.000 0.000 0.209 112 L C 2.687 179.437 176.870 -0.200 0.000 1.094 112 L CA 1.074 55.833 54.840 -0.136 0.000 0.763 112 L CB -0.437 41.553 42.059 -0.114 0.000 0.908 112 L HN 0.317 nan 8.230 nan 0.000 0.437 113 Q N -0.356 119.279 119.800 -0.276 0.000 2.050 113 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 113 Q C 2.311 178.119 176.000 -0.320 0.000 0.980 113 Q CA 1.585 57.236 55.803 -0.252 0.000 0.840 113 Q CB -0.359 28.268 28.738 -0.185 0.000 0.898 113 Q HN 0.610 nan 8.270 nan 0.000 0.424 114 G N 0.498 109.128 108.800 -0.284 0.000 2.394 114 G HA2 -0.209 3.752 3.960 0.000 0.000 0.215 114 G HA3 -0.209 3.752 3.960 0.000 0.000 0.215 114 G C 1.332 176.108 174.900 -0.206 0.000 1.165 114 G CA 0.249 45.137 45.100 -0.352 0.000 0.784 114 G HN 0.165 nan 8.290 nan 0.000 0.535 115 L N 1.499 122.607 121.223 -0.191 0.000 2.017 115 L HA 0.114 4.454 4.340 0.000 0.000 0.208 115 L C 3.175 179.858 176.870 -0.311 0.000 1.073 115 L CA 1.897 56.572 54.840 -0.275 0.000 0.745 115 L CB -0.901 41.019 42.059 -0.232 0.000 0.894 115 L HN 0.262 nan 8.230 nan 0.000 0.432 116 A N -1.032 121.700 122.820 -0.146 0.000 1.873 116 A HA -0.341 3.979 4.320 0.000 0.000 0.218 116 A C 2.351 179.959 177.584 0.040 0.000 1.193 116 A CA 2.248 54.269 52.037 -0.026 0.000 0.629 116 A CB -1.348 17.640 19.000 -0.020 0.000 0.826 116 A HN 0.487 nan 8.150 nan 0.000 0.447 117 F N 0.191 120.049 119.950 -0.153 0.000 2.161 117 F HA -0.259 4.268 4.527 0.000 0.000 0.300 117 F C 2.530 178.415 175.800 0.142 0.000 1.089 117 F CA 1.726 59.709 58.000 -0.029 0.000 1.282 117 F CB -0.326 38.490 39.000 -0.307 0.000 1.010 117 F HN 0.333 nan 8.300 nan 0.000 0.485 118 C N -0.225 119.222 119.300 0.246 0.000 2.436 118 C HA -0.198 4.262 4.460 0.000 0.000 0.277 118 C C 2.700 177.892 174.990 0.335 0.000 1.241 118 C CA 1.145 60.330 59.018 0.278 0.000 1.721 118 C CB -1.478 26.389 27.740 0.212 0.000 2.043 118 C HN 0.493 nan 8.230 nan 0.000 0.472 119 H N 0.753 119.975 119.070 0.254 0.000 2.387 119 H HA -0.059 4.497 4.556 0.000 0.000 0.299 119 H C 2.428 177.864 175.328 0.180 0.000 1.090 119 H CA 1.697 57.921 56.048 0.293 0.000 1.332 119 H CB -0.803 29.086 29.762 0.212 0.000 1.386 119 H HN 0.402 nan 8.280 nan 0.000 0.516 120 S N -0.003 115.776 115.700 0.132 0.000 2.453 120 S HA -0.089 4.382 4.470 0.000 0.000 0.231 120 S C 0.637 175.007 174.600 -0.384 0.000 1.005 120 S CA 0.608 58.727 58.200 -0.135 0.000 0.949 120 S CB -0.131 62.912 63.200 -0.263 0.000 0.774 120 S HN 0.587 nan 8.310 nan 0.000 0.510 121 H N 1.128 120.103 119.070 -0.159 0.000 2.591 121 H HA 0.310 4.866 4.556 0.000 0.000 0.302 121 H C 0.253 175.511 175.328 -0.116 0.000 1.163 121 H CA -0.525 55.418 56.048 -0.175 0.000 1.049 121 H CB -0.321 29.304 29.762 -0.230 0.000 1.543 121 H HN 0.230 nan 8.280 nan 0.000 0.523 122 R N -1.444 118.952 120.500 -0.172 0.000 3.266 122 R HA -0.161 4.179 4.340 0.000 0.000 0.245 122 R C -1.481 174.748 176.300 -0.117 0.000 0.941 122 R CA 0.460 56.180 56.100 -0.634 0.000 0.638 122 R CB -3.033 26.775 30.300 -0.820 0.000 1.019 122 R HN 0.145 nan 8.270 nan 0.000 0.462 123 V N 1.281 121.486 119.914 0.485 0.000 2.588 123 V HA 0.478 4.598 4.120 0.000 0.000 0.304 123 V C 0.376 176.882 176.094 0.687 0.000 1.042 123 V CA -0.927 61.708 62.300 0.558 0.000 0.877 123 V CB 1.942 34.010 31.823 0.407 0.000 0.996 123 V HN 0.329 nan 8.190 nan 0.000 0.425 124 L N 3.962 125.478 121.223 0.488 0.000 2.309 124 L HA 0.499 4.839 4.340 0.000 0.000 0.282 124 L C 1.216 178.249 176.870 0.271 0.000 1.036 124 L CA -0.591 54.438 54.840 0.315 0.000 0.806 124 L CB 1.308 43.445 42.059 0.130 0.000 1.220 124 L HN 0.777 nan 8.230 nan 0.000 0.429 125 H N 4.208 123.358 119.070 0.132 0.000 2.344 125 H HA 0.103 4.659 4.556 0.000 0.000 0.307 125 H C 0.621 175.909 175.328 -0.068 0.000 1.057 125 H CA 1.029 57.037 56.048 -0.068 0.000 1.373 125 H CB 0.621 30.227 29.762 -0.261 0.000 1.421 125 H HN 0.647 nan 8.280 nan 0.000 0.532 126 R N -0.190 120.397 120.500 0.146 0.000 3.854 126 R HA -0.157 4.183 4.340 0.000 0.000 0.430 126 R C -0.719 175.611 176.300 0.049 0.000 1.068 126 R CA 1.003 57.138 56.100 0.057 0.000 1.104 126 R CB -1.723 28.584 30.300 0.012 0.000 1.729 126 R HN 0.384 nan 8.270 nan 0.000 0.533 127 D N -0.024 120.490 120.400 0.190 0.000 2.969 127 D HA 0.185 4.826 4.640 0.000 0.000 0.317 127 D C -0.572 175.818 176.300 0.149 0.000 1.650 127 D CA -0.201 53.867 54.000 0.113 0.000 0.789 127 D CB 0.384 41.174 40.800 -0.017 0.000 1.277 127 D HN 0.117 nan 8.370 nan 0.000 0.463 128 L N 1.865 123.123 121.223 0.060 0.000 2.455 128 L HA 0.287 4.627 4.340 0.000 0.000 0.272 128 L C 0.509 177.199 176.870 -0.300 0.000 1.174 128 L CA 0.599 55.316 54.840 -0.205 0.000 0.869 128 L CB 0.298 42.217 42.059 -0.233 0.000 1.130 128 L HN 0.107 nan 8.230 nan 0.000 0.474 129 K N 1.970 122.116 120.400 -0.423 0.000 2.639 129 K HA 0.332 4.652 4.320 0.000 0.000 0.279 129 K C -2.877 173.480 176.600 -0.404 0.000 0.976 129 K CA -1.426 54.413 56.287 -0.746 0.000 0.861 129 K CB 1.273 33.384 32.500 -0.649 0.000 1.436 129 K HN -0.081 nan 8.250 nan 0.000 0.400 130 P HA -0.269 nan 4.420 nan 0.000 0.216 130 P C 1.310 178.536 177.300 -0.123 0.000 1.150 130 P CA 1.430 64.446 63.100 -0.140 0.000 0.843 130 P CB 0.196 31.884 31.700 -0.022 0.000 0.787 131 Q N -0.556 119.174 119.800 -0.117 0.000 2.181 131 Q HA -0.172 4.169 4.340 0.000 0.000 0.205 131 Q C 1.357 177.278 176.000 -0.131 0.000 0.980 131 Q CA 1.432 57.174 55.803 -0.103 0.000 0.862 131 Q CB -0.395 28.289 28.738 -0.090 0.000 0.905 131 Q HN 0.148 nan 8.270 nan 0.000 0.429 132 N N -0.304 118.304 118.700 -0.153 0.000 2.398 132 N HA 0.098 4.838 4.740 0.000 0.000 0.188 132 N C -0.731 174.666 175.510 -0.189 0.000 1.122 132 N CA 0.409 53.365 53.050 -0.156 0.000 0.866 132 N CB 0.357 38.767 38.487 -0.128 0.000 0.970 132 N HN 0.222 nan 8.380 nan 0.000 0.462 133 L N 1.453 122.558 121.223 -0.197 0.000 2.298 133 L HA 0.442 4.782 4.340 0.000 0.000 0.284 133 L C -0.332 176.401 176.870 -0.227 0.000 1.013 133 L CA -0.378 54.331 54.840 -0.219 0.000 0.824 133 L CB 1.492 43.416 42.059 -0.226 0.000 1.221 133 L HN -0.243 nan 8.230 nan 0.000 0.418 134 L N 5.120 126.204 121.223 -0.231 0.000 2.331 134 L HA 0.671 5.011 4.340 0.000 0.000 0.275 134 L C -0.182 176.525 176.870 -0.271 0.000 1.022 134 L CA -0.818 53.879 54.840 -0.238 0.000 0.812 134 L CB 2.103 44.022 42.059 -0.232 0.000 1.257 134 L HN 0.579 nan 8.230 nan 0.000 0.435 135 I N -0.512 119.901 120.570 -0.262 0.000 2.689 135 I HA 0.595 4.766 4.170 0.000 0.000 0.299 135 I C -0.894 175.145 176.117 -0.131 0.000 1.059 135 I CA -0.749 60.385 61.300 -0.277 0.000 1.055 135 I CB 2.164 39.907 38.000 -0.428 0.000 1.243 135 I HN 0.599 nan 8.210 nan 0.000 0.425 136 N N 1.519 120.175 118.700 -0.074 0.000 2.741 136 N HA 0.389 5.129 4.740 0.000 0.000 0.310 136 N C 0.501 175.947 175.510 -0.106 0.000 1.295 136 N CA -0.053 53.010 53.050 0.022 0.000 0.893 136 N CB 0.857 39.395 38.487 0.085 0.000 1.247 136 N HN 0.762 nan 8.380 nan 0.000 0.596 137 T N -3.876 110.535 114.554 -0.239 0.000 3.081 137 T HA 0.135 4.485 4.350 0.000 0.000 0.255 137 T C 0.726 175.364 174.700 -0.104 0.000 1.113 137 T CA 0.444 62.407 62.100 -0.229 0.000 1.082 137 T CB -0.176 68.472 68.868 -0.367 0.000 0.939 137 T HN 0.482 nan 8.240 nan 0.000 0.506 138 E N 1.089 121.249 120.200 -0.066 0.000 2.502 138 E HA 0.182 4.532 4.350 0.000 0.000 0.194 138 E C 1.605 178.202 176.600 -0.005 0.000 1.062 138 E CA 0.590 56.975 56.400 -0.025 0.000 0.867 138 E CB 0.037 29.731 29.700 -0.010 0.000 0.888 138 E HN 0.769 nan 8.360 nan 0.000 0.510 139 G N 0.972 109.776 108.800 0.007 0.000 2.176 139 G HA2 -0.265 3.695 3.960 0.000 0.000 0.232 139 G HA3 -0.265 3.695 3.960 0.000 0.000 0.232 139 G C 0.456 175.437 174.900 0.134 0.000 0.986 139 G CA 0.107 45.242 45.100 0.058 0.000 0.643 139 G HN 0.463 nan 8.290 nan 0.000 0.522 140 A N -0.168 122.689 122.820 0.062 0.000 2.425 140 A HA 0.761 5.081 4.320 0.000 0.000 0.249 140 A C 0.165 177.724 177.584 -0.041 0.000 1.084 140 A CA 0.491 52.548 52.037 0.034 0.000 0.781 140 A CB 0.694 19.689 19.000 -0.009 0.000 1.019 140 A HN 1.382 nan 8.150 nan 0.000 0.490 141 I N 0.685 121.197 120.570 -0.097 0.000 2.740 141 I HA 0.638 4.808 4.170 0.000 0.000 0.303 141 I C -0.674 175.345 176.117 -0.164 0.000 1.044 141 I CA -0.692 60.436 61.300 -0.287 0.000 1.064 141 I CB 1.808 39.456 38.000 -0.587 0.000 1.249 141 I HN 0.698 nan 8.210 nan 0.000 0.433 142 K N 6.807 127.103 120.400 -0.174 0.000 2.525 142 K HA 0.471 4.791 4.320 0.000 0.000 0.254 142 K C -1.561 174.975 176.600 -0.107 0.000 0.934 142 K CA -0.724 55.503 56.287 -0.101 0.000 0.802 142 K CB 2.241 34.697 32.500 -0.072 0.000 1.295 142 K HN 0.488 nan 8.250 nan 0.000 0.433 143 L N 2.524 123.712 121.223 -0.057 0.000 2.455 143 L HA 0.353 4.693 4.340 0.000 0.000 0.272 143 L C 0.345 177.255 176.870 0.067 0.000 1.174 143 L CA 0.015 54.803 54.840 -0.086 0.000 0.869 143 L CB 0.380 42.384 42.059 -0.092 0.000 1.130 143 L HN 0.740 nan 8.230 nan 0.000 0.474 144 A N 2.174 124.969 122.820 -0.041 0.000 2.443 144 A HA 0.558 4.878 4.320 0.000 0.000 0.278 144 A C -0.384 177.243 177.584 0.072 0.000 1.252 144 A CA -0.441 51.621 52.037 0.042 0.000 0.816 144 A CB 1.050 19.974 19.000 -0.128 0.000 1.369 144 A HN 0.724 nan 8.150 nan 0.000 0.446 145 D N -1.633 118.786 120.400 0.031 0.000 3.278 145 D HA -0.153 4.488 4.640 0.000 0.000 0.233 145 D C -0.712 175.597 176.300 0.016 0.000 1.149 145 D CA 0.645 54.650 54.000 0.009 0.000 0.957 145 D CB -1.162 39.596 40.800 -0.070 0.000 0.913 145 D HN 0.407 nan 8.370 nan 0.000 0.409 146 F N 0.166 120.124 119.950 0.014 0.000 2.663 146 F HA 0.327 4.854 4.527 0.000 0.000 0.299 146 F C 2.273 178.071 175.800 -0.003 0.000 1.143 146 F CA 0.307 58.273 58.000 -0.056 0.000 1.387 146 F CB 0.382 39.422 39.000 0.067 0.000 1.019 146 F HN 0.361 nan 8.300 nan 0.000 0.523 147 G N -0.317 108.600 108.800 0.194 0.000 2.470 147 G HA2 -0.198 3.762 3.960 0.000 0.000 0.220 147 G HA3 -0.198 3.762 3.960 0.000 0.000 0.220 147 G C 1.518 176.462 174.900 0.074 0.000 1.121 147 G CA 0.511 45.765 45.100 0.257 0.000 0.766 147 G HN 0.407 nan 8.290 nan 0.000 0.553 148 L N 0.475 121.670 121.223 -0.048 0.000 2.607 148 L HA 0.495 4.835 4.340 0.000 0.000 0.228 148 L C 1.830 178.647 176.870 -0.088 0.000 1.123 148 L CA -0.107 54.686 54.840 -0.079 0.000 0.890 148 L CB 0.123 42.106 42.059 -0.127 0.000 1.103 148 L HN 0.202 nan 8.230 nan 0.000 0.468 149 A N 0.667 123.435 122.820 -0.086 0.000 2.429 149 A HA 0.460 4.780 4.320 0.000 0.000 0.242 149 A C 0.238 177.858 177.584 0.060 0.000 1.088 149 A CA 0.033 52.073 52.037 0.004 0.000 0.784 149 A CB 0.245 19.376 19.000 0.217 0.000 1.038 149 A HN 0.413 nan 8.150 nan 0.000 0.501 150 R N -0.347 120.209 120.500 0.093 0.000 2.629 150 R HA 0.601 4.941 4.340 0.000 0.000 0.266 150 R C -0.835 175.526 176.300 0.102 0.000 1.051 150 R CA 0.138 56.266 56.100 0.047 0.000 0.895 150 R CB 0.932 31.195 30.300 -0.060 0.000 1.246 150 R HN 1.238 nan 8.270 nan 0.000 0.459 151 A N 3.664 126.520 122.820 0.060 0.000 2.454 151 A HA 0.492 4.812 4.320 0.000 0.000 0.260 151 A C -0.431 177.173 177.584 0.032 0.000 1.106 151 A CA -0.337 51.733 52.037 0.055 0.000 0.780 151 A CB -0.440 18.564 19.000 0.007 0.000 1.044 151 A HN 0.583 nan 8.150 nan 0.000 0.498 152 F N 1.455 121.371 119.950 -0.056 0.000 2.525 152 F HA 0.902 5.429 4.527 0.000 0.000 0.346 152 F C 0.527 176.376 175.800 0.082 0.000 1.072 152 F CA -1.022 56.950 58.000 -0.047 0.000 1.033 152 F CB 0.615 39.622 39.000 0.012 0.000 1.324 152 F HN 0.649 nan 8.300 nan 0.000 0.491 153 G N -0.555 108.436 108.800 0.318 0.000 2.644 153 G HA2 0.608 4.568 3.960 0.000 0.000 0.307 153 G HA3 0.608 4.568 3.960 0.000 0.000 0.307 153 G C -2.058 172.942 174.900 0.167 0.000 1.250 153 G CA -1.101 44.070 45.100 0.120 0.000 0.996 153 G HN 0.649 nan 8.290 nan 0.000 0.489 154 V N 2.479 122.432 119.914 0.065 0.000 2.407 154 V HA 0.445 4.565 4.120 0.000 0.000 0.291 154 V C -1.463 174.650 176.094 0.032 0.000 1.018 154 V CA -0.910 61.434 62.300 0.072 0.000 0.842 154 V CB 1.124 32.961 31.823 0.022 0.000 0.996 154 V HN 0.812 nan 8.190 nan 0.000 0.426 155 P HA 0.522 nan 4.420 nan 0.000 0.279 155 P C -0.306 177.019 177.300 0.041 0.000 1.276 155 P CA -0.378 62.733 63.100 0.019 0.000 0.801 155 P CB 1.231 32.889 31.700 -0.070 0.000 1.127 156 V N -1.291 118.653 119.914 0.049 0.000 3.096 156 V HA 0.349 4.469 4.120 0.000 0.000 0.306 156 V C 0.741 176.772 176.094 -0.106 0.000 1.088 156 V CA -0.428 61.931 62.300 0.099 0.000 1.129 156 V CB -0.042 31.863 31.823 0.136 0.000 1.014 156 V HN 0.901 nan 8.190 nan 0.000 0.486 157 R N 1.380 121.736 120.500 -0.240 0.000 2.981 157 R HA 0.596 4.936 4.340 0.000 0.000 0.228 157 R C -0.327 175.596 176.300 -0.628 0.000 1.421 157 R CA -0.662 55.311 56.100 -0.211 0.000 1.073 157 R CB 0.748 30.991 30.300 -0.095 0.000 1.568 157 R HN 0.629 nan 8.270 nan 0.000 0.514 158 T N 1.010 115.327 114.554 -0.394 0.000 2.884 158 T HA 0.316 4.666 4.350 0.000 0.000 0.298 158 T C -1.057 173.359 174.700 -0.473 0.000 0.998 158 T CA 0.281 62.088 62.100 -0.488 0.000 1.124 158 T CB 0.120 68.792 68.868 -0.327 0.000 0.931 158 T HN 0.299 nan 8.240 nan 0.000 0.531 162 E N 2.304 122.449 120.200 -0.092 0.000 1.979 162 E HA 0.359 4.709 4.350 0.000 0.000 0.285 162 E C -1.023 175.503 176.600 -0.123 0.000 1.188 162 E CA 0.016 56.291 56.400 -0.209 0.000 1.214 162 E CB 1.346 30.994 29.700 -0.087 0.000 1.210 162 E HN 0.103 nan 8.360 nan 0.000 0.477 163 V N 1.676 121.495 119.914 -0.159 0.000 2.760 163 V HA 0.423 4.544 4.120 0.000 0.000 0.309 163 V C -0.992 175.040 176.094 -0.102 0.000 1.077 163 V CA -0.912 61.331 62.300 -0.095 0.000 0.910 163 V CB 2.123 33.913 31.823 -0.055 0.000 1.008 163 V HN 0.277 nan 8.190 nan 0.000 0.424 164 V N 3.417 123.300 119.914 -0.050 0.000 3.345 164 V HA -0.154 3.966 4.120 0.000 0.000 0.481 164 V C 0.216 176.331 176.094 0.035 0.000 0.682 164 V CA 0.227 62.532 62.300 0.007 0.000 2.024 164 V CB -1.093 30.741 31.823 0.019 0.000 2.475 164 V HN 1.061 nan 8.190 nan 0.000 0.501 165 T N 5.971 120.569 114.554 0.074 0.000 2.891 165 T HA 0.083 4.433 4.350 0.000 0.000 0.296 165 T C 1.127 175.894 174.700 0.111 0.000 1.025 165 T CA 0.723 62.867 62.100 0.072 0.000 1.149 165 T CB 0.463 69.408 68.868 0.127 0.000 1.007 165 T HN 0.872 nan 8.240 nan 0.000 0.528 166 L N 3.830 125.064 121.223 0.018 0.000 2.051 166 L HA -0.102 4.238 4.340 0.000 0.000 0.214 166 L C 1.812 178.797 176.870 0.191 0.000 1.076 166 L CA 1.911 56.791 54.840 0.068 0.000 0.758 166 L CB -0.569 41.515 42.059 0.042 0.000 0.890 166 L HN 0.759 nan 8.230 nan 0.000 0.433 167 W N -1.257 119.973 121.300 -0.116 0.000 2.421 167 W HA -0.136 4.524 4.660 0.000 0.000 0.270 167 W C 1.900 178.144 176.519 -0.458 0.000 1.233 167 W CA 0.658 57.797 57.345 -0.343 0.000 1.226 167 W CB -1.053 28.043 29.460 -0.607 0.000 1.121 167 W HN 0.274 nan 8.180 nan 0.000 0.579 168 Y N -0.805 119.726 120.300 0.386 0.000 2.507 168 Y HA 0.243 4.793 4.550 0.000 0.000 0.254 168 Y C 1.279 177.420 175.900 0.401 0.000 1.171 168 Y CA -0.557 57.765 58.100 0.370 0.000 1.238 168 Y CB -0.379 38.223 38.460 0.236 0.000 1.148 168 Y HN -0.318 nan 8.280 nan 0.000 0.525 169 R N 1.767 122.467 120.500 0.333 0.000 2.340 169 R HA 0.577 4.918 4.340 0.000 0.000 0.300 169 R C 0.082 176.316 176.300 -0.110 0.000 1.069 169 R CA -0.265 55.909 56.100 0.124 0.000 0.984 169 R CB 0.521 30.847 30.300 0.043 0.000 1.003 169 R HN 0.192 nan 8.270 nan 0.000 0.459 170 A N 6.005 128.624 122.820 -0.335 0.000 2.425 170 A HA 0.234 4.554 4.320 0.000 0.000 0.242 170 A C -1.579 175.664 177.584 -0.568 0.000 1.077 170 A CA -1.309 50.201 52.037 -0.877 0.000 0.781 170 A CB 0.163 18.874 19.000 -0.482 0.000 1.020 170 A HN 0.764 nan 8.150 nan 0.000 0.494 171 P HA -0.189 nan 4.420 nan 0.000 0.220 171 P C 0.898 178.309 177.300 0.186 0.000 1.148 171 P CA 1.504 64.546 63.100 -0.097 0.000 0.803 171 P CB 0.120 31.928 31.700 0.180 0.000 0.782 172 E N 0.349 120.651 120.200 0.170 0.000 2.216 172 E HA -0.072 4.278 4.350 0.000 0.000 0.192 172 E C 2.103 178.827 176.600 0.207 0.000 0.988 172 E CA 0.672 57.276 56.400 0.339 0.000 0.834 172 E CB -0.971 28.936 29.700 0.345 0.000 0.772 172 E HN 0.285 nan 8.360 nan 0.000 0.479 173 I N 1.324 121.949 120.570 0.092 0.000 2.162 173 I HA -0.229 3.941 4.170 0.000 0.000 0.238 173 I C 2.684 178.916 176.117 0.192 0.000 1.076 173 I CA 0.757 62.133 61.300 0.127 0.000 1.353 173 I CB -0.366 37.610 38.000 -0.040 0.000 1.063 173 I HN -0.025 nan 8.210 nan 0.000 0.408 174 L N 0.403 121.684 121.223 0.096 0.000 2.103 174 L HA -0.256 4.085 4.340 0.000 0.000 0.215 174 L C 2.155 179.109 176.870 0.140 0.000 1.080 174 L CA 1.530 56.428 54.840 0.096 0.000 0.764 174 L CB -0.618 41.440 42.059 -0.002 0.000 0.890 174 L HN 0.307 nan 8.230 nan 0.000 0.435 175 L N -0.491 120.829 121.223 0.162 0.000 2.612 175 L HA 0.183 4.523 4.340 0.000 0.000 0.230 175 L C 1.321 178.242 176.870 0.086 0.000 1.140 175 L CA 0.358 55.299 54.840 0.168 0.000 0.896 175 L CB -0.370 41.804 42.059 0.192 0.000 1.065 175 L HN 0.470 nan 8.230 nan 0.000 0.447 176 G N 0.115 108.945 108.800 0.050 0.000 2.176 176 G HA2 -0.328 3.632 3.960 0.000 0.000 0.252 176 G HA3 -0.328 3.632 3.960 0.000 0.000 0.252 176 G C 0.355 175.215 174.900 -0.067 0.000 1.024 176 G CA 0.151 45.182 45.100 -0.115 0.000 0.755 176 G HN 0.421 nan 8.290 nan 0.000 0.507 177 C N 0.224 119.553 119.300 0.048 0.000 2.642 177 C HA 0.425 4.885 4.460 0.000 0.000 0.420 177 C C 2.104 177.082 174.990 -0.019 0.000 1.349 177 C CA 0.434 59.484 59.018 0.053 0.000 1.821 177 C CB 0.264 28.114 27.740 0.183 0.000 2.637 177 C HN 0.541 nan 8.230 nan 0.000 0.605 178 K N 2.537 122.828 120.400 -0.182 0.000 2.365 178 K HA 0.007 4.328 4.320 0.000 0.000 0.199 178 K C -0.681 175.544 176.600 -0.624 0.000 1.045 178 K CA 1.108 57.132 56.287 -0.438 0.000 0.962 178 K CB 0.049 32.151 32.500 -0.664 0.000 0.759 178 K HN 0.758 nan 8.250 nan 0.000 0.469 179 Y N 0.366 120.632 120.300 -0.057 0.000 2.326 179 Y HA 0.204 4.754 4.550 0.000 0.000 0.329 179 Y C -0.373 175.530 175.900 0.006 0.000 0.973 179 Y CA -1.775 56.246 58.100 -0.131 0.000 1.162 179 Y CB 0.846 39.254 38.460 -0.087 0.000 1.147 179 Y HN -0.043 nan 8.280 nan 0.000 0.456 180 Y N 0.032 120.437 120.300 0.176 0.000 2.587 180 Y HA 0.921 5.472 4.550 0.000 0.000 0.337 180 Y C -0.012 175.950 175.900 0.104 0.000 1.065 180 Y CA -1.406 56.778 58.100 0.140 0.000 1.126 180 Y CB 1.428 39.963 38.460 0.126 0.000 1.279 180 Y HN 0.484 nan 8.280 nan 0.000 0.489 181 S N -0.972 114.897 115.700 0.281 0.000 3.923 181 S HA 0.259 4.730 4.470 0.000 0.000 0.280 181 S C 0.884 175.417 174.600 -0.112 0.000 1.070 181 S CA -0.028 58.178 58.200 0.010 0.000 1.300 181 S CB 0.393 63.547 63.200 -0.077 0.000 1.322 181 S HN 0.959 nan 8.310 nan 0.000 0.762 182 T N -0.587 113.742 114.554 -0.374 0.000 2.962 182 T HA 0.118 4.468 4.350 0.000 0.000 0.270 182 T C 1.895 176.491 174.700 -0.175 0.000 1.088 182 T CA 1.153 62.901 62.100 -0.587 0.000 1.127 182 T CB -0.960 67.326 68.868 -0.970 0.000 0.883 182 T HN 0.898 nan 8.240 nan 0.000 0.493 183 A N 2.044 124.836 122.820 -0.047 0.000 1.972 183 A HA 0.082 4.402 4.320 0.000 0.000 0.219 183 A C 2.693 180.354 177.584 0.129 0.000 1.169 183 A CA 1.561 53.638 52.037 0.066 0.000 0.635 183 A CB -1.120 17.916 19.000 0.061 0.000 0.810 183 A HN 0.765 nan 8.150 nan 0.000 0.446 184 V N -1.338 118.630 119.914 0.090 0.000 2.332 184 V HA -0.263 3.857 4.120 0.000 0.000 0.248 184 V C 1.717 177.924 176.094 0.188 0.000 1.055 184 V CA 2.663 65.018 62.300 0.091 0.000 1.038 184 V CB -0.895 30.887 31.823 -0.068 0.000 0.651 184 V HN 0.430 nan 8.190 nan 0.000 0.450 185 D N 0.315 120.830 120.400 0.191 0.000 2.178 185 D HA -0.035 4.605 4.640 0.000 0.000 0.202 185 D C 2.253 178.688 176.300 0.225 0.000 0.974 185 D CA 1.484 55.617 54.000 0.221 0.000 0.841 185 D CB -0.124 40.860 40.800 0.306 0.000 0.953 185 D HN 0.450 nan 8.370 nan 0.000 0.478 186 I N 0.310 121.030 120.570 0.249 0.000 2.202 186 I HA -0.226 3.944 4.170 0.000 0.000 0.242 186 I C 2.443 178.699 176.117 0.232 0.000 1.091 186 I CA 0.779 62.209 61.300 0.215 0.000 1.368 186 I CB -0.838 37.282 38.000 0.199 0.000 1.058 186 I HN 0.275 nan 8.210 nan 0.000 0.410 187 W N 2.132 123.496 121.300 0.106 0.000 2.304 187 W HA -0.282 4.379 4.660 0.000 0.000 0.315 187 W C 2.623 179.240 176.519 0.163 0.000 1.233 187 W CA 2.046 59.464 57.345 0.121 0.000 1.261 187 W CB -0.306 29.216 29.460 0.103 0.000 1.150 187 W HN 0.109 nan 8.180 nan 0.000 0.494 188 S N 1.006 116.956 115.700 0.418 0.000 2.359 188 S HA -0.210 4.260 4.470 0.000 0.000 0.224 188 S C 1.936 176.645 174.600 0.181 0.000 1.035 188 S CA 1.484 59.888 58.200 0.341 0.000 1.018 188 S CB -0.771 62.569 63.200 0.234 0.000 0.876 188 S HN 0.259 nan 8.310 nan 0.000 0.448 189 L N 0.847 122.143 121.223 0.123 0.000 2.093 189 L HA -0.059 4.281 4.340 0.000 0.000 0.208 189 L C 2.615 179.545 176.870 0.100 0.000 1.085 189 L CA 1.191 56.080 54.840 0.083 0.000 0.755 189 L CB -1.221 40.878 42.059 0.068 0.000 0.904 189 L HN 0.452 nan 8.230 nan 0.000 0.435 190 G N -0.515 108.312 108.800 0.045 0.000 2.476 190 G HA2 -0.316 3.644 3.960 0.000 0.000 0.218 190 G HA3 -0.316 3.644 3.960 0.000 0.000 0.218 190 G C 1.614 176.463 174.900 -0.085 0.000 1.164 190 G CA 1.135 46.218 45.100 -0.029 0.000 0.768 190 G HN 0.445 nan 8.290 nan 0.000 0.560 191 C N 0.099 119.325 119.300 -0.124 0.000 2.425 191 C HA 0.082 4.543 4.460 0.000 0.000 0.277 191 C C 2.854 177.884 174.990 0.066 0.000 1.280 191 C CA 0.485 59.448 59.018 -0.092 0.000 1.744 191 C CB -0.963 26.829 27.740 0.085 0.000 1.989 191 C HN 0.476 nan 8.230 nan 0.000 0.491 192 I N 0.092 120.757 120.570 0.158 0.000 2.394 192 I HA -0.160 4.010 4.170 0.000 0.000 0.251 192 I C 2.347 178.584 176.117 0.199 0.000 1.136 192 I CA 1.176 62.573 61.300 0.163 0.000 1.425 192 I CB -0.470 37.579 38.000 0.082 0.000 1.079 192 I HN 0.249 nan 8.210 nan 0.000 0.425 193 F N 2.153 122.102 119.950 -0.002 0.000 2.146 193 F HA -0.148 4.379 4.527 0.000 0.000 0.298 193 F C 2.427 178.201 175.800 -0.043 0.000 1.096 193 F CA 1.274 59.276 58.000 0.002 0.000 1.275 193 F CB -0.885 38.098 39.000 -0.028 0.000 1.008 193 F HN 0.037 nan 8.300 nan 0.000 0.480 194 A N -0.190 122.528 122.820 -0.169 0.000 1.972 194 A HA -0.225 4.096 4.320 0.000 0.000 0.219 194 A C 2.285 179.756 177.584 -0.189 0.000 1.169 194 A CA 1.764 53.593 52.037 -0.347 0.000 0.635 194 A CB -0.905 17.846 19.000 -0.416 0.000 0.810 194 A HN 0.578 nan 8.150 nan 0.000 0.446 195 E N -0.962 119.200 120.200 -0.062 0.000 2.170 195 E HA -0.012 4.338 4.350 0.000 0.000 0.191 195 E C 1.945 178.576 176.600 0.053 0.000 0.981 195 E CA 0.454 56.847 56.400 -0.012 0.000 0.830 195 E CB -0.122 29.618 29.700 0.066 0.000 0.775 195 E HN 0.643 nan 8.360 nan 0.000 0.470 196 M N -0.033 119.644 119.600 0.129 0.000 2.296 196 M HA -0.136 4.344 4.480 0.000 0.000 0.265 196 M C 2.027 178.399 176.300 0.120 0.000 1.064 196 M CA 0.840 56.246 55.300 0.176 0.000 1.109 196 M CB 0.205 32.976 32.600 0.284 0.000 1.396 196 M HN 0.076 nan 8.290 nan 0.000 0.430 197 V N -0.234 119.717 119.914 0.060 0.000 2.283 197 V HA -0.184 3.936 4.120 0.000 0.000 0.239 197 V C 2.559 178.627 176.094 -0.043 0.000 1.035 197 V CA 2.279 64.580 62.300 0.002 0.000 1.018 197 V CB -0.879 30.877 31.823 -0.112 0.000 0.658 197 V HN 0.567 nan 8.190 nan 0.000 0.459 198 T N -2.591 111.906 114.554 -0.094 0.000 3.055 198 T HA -0.109 4.241 4.350 0.000 0.000 0.265 198 T C 1.337 175.994 174.700 -0.072 0.000 1.111 198 T CA 0.748 62.785 62.100 -0.104 0.000 1.118 198 T CB -0.298 68.475 68.868 -0.160 0.000 0.909 198 T HN 0.390 nan 8.240 nan 0.000 0.501 199 R N 0.813 121.289 120.500 -0.041 0.000 3.863 199 R HA -0.165 4.175 4.340 0.000 0.000 0.313 199 R C -0.071 176.209 176.300 -0.032 0.000 1.202 199 R CA 1.154 57.244 56.100 -0.016 0.000 0.852 199 R CB -1.226 29.063 30.300 -0.017 0.000 1.292 199 R HN 0.842 nan 8.270 nan 0.000 0.519 200 R N -1.100 119.357 120.500 -0.072 0.000 2.808 200 R HA 0.722 5.063 4.340 0.000 0.000 0.272 200 R C -0.897 175.311 176.300 -0.152 0.000 0.995 200 R CA -0.283 55.757 56.100 -0.100 0.000 0.917 200 R CB 1.550 31.773 30.300 -0.128 0.000 1.217 200 R HN 0.045 nan 8.270 nan 0.000 0.471 201 A N 2.198 124.896 122.820 -0.203 0.000 2.477 201 A HA 0.160 4.480 4.320 0.000 0.000 0.246 201 A C 0.823 178.149 177.584 -0.430 0.000 1.078 201 A CA -0.607 51.260 52.037 -0.283 0.000 0.770 201 A CB 0.367 19.092 19.000 -0.458 0.000 1.011 201 A HN 0.793 nan 8.150 nan 0.000 0.494 202 L N 2.017 122.947 121.223 -0.489 0.000 2.179 202 L HA 0.247 4.588 4.340 0.000 0.000 0.208 202 L C -0.191 176.156 176.870 -0.871 0.000 1.096 202 L CA 1.683 56.073 54.840 -0.749 0.000 0.779 202 L CB -0.151 41.331 42.059 -0.962 0.000 0.922 202 L HN 0.533 nan 8.230 nan 0.000 0.443 203 F N 1.484 121.224 119.950 -0.351 0.000 2.710 203 F HA 0.428 4.955 4.527 0.000 0.000 0.345 203 F C -2.256 173.189 175.800 -0.592 0.000 1.362 203 F CA -2.759 55.038 58.000 -0.338 0.000 1.175 203 F CB 0.445 39.358 39.000 -0.146 0.000 1.561 203 F HN -0.015 nan 8.300 nan 0.000 0.593 204 P HA 0.191 nan 4.420 nan 0.000 0.219 204 P C 0.501 177.469 177.300 -0.554 0.000 1.832 204 P CA 0.245 62.443 63.100 -1.504 0.000 1.014 204 P CB 0.536 31.454 31.700 -1.303 0.000 1.939 205 G N 1.579 110.289 108.800 -0.149 0.000 2.476 205 G HA2 0.213 4.173 3.960 0.000 0.000 0.269 205 G HA3 0.213 4.173 3.960 0.000 0.000 0.269 205 G C 0.254 175.275 174.900 0.201 0.000 1.195 205 G CA -0.533 44.586 45.100 0.030 0.000 0.843 205 G HN 0.208 nan 8.290 nan 0.000 0.545 206 D N -1.493 118.970 120.400 0.105 0.000 2.349 206 D HA 0.186 4.826 4.640 0.000 0.000 0.214 206 D C 1.010 177.338 176.300 0.046 0.000 1.063 206 D CA 0.336 54.402 54.000 0.110 0.000 0.847 206 D CB 0.485 41.337 40.800 0.087 0.000 0.933 206 D HN 0.443 nan 8.370 nan 0.000 0.513 207 S N -1.476 114.230 115.700 0.009 0.000 2.688 207 S HA 0.308 4.779 4.470 0.000 0.000 0.275 207 S C 0.440 175.004 174.600 -0.060 0.000 1.175 207 S CA -0.946 57.237 58.200 -0.028 0.000 0.818 207 S CB 1.712 64.882 63.200 -0.050 0.000 1.157 207 S HN -0.127 nan 8.310 nan 0.000 0.482 208 E N -0.153 120.004 120.200 -0.072 0.000 2.031 208 E HA -0.106 4.244 4.350 0.000 0.000 0.193 208 E C 1.662 178.138 176.600 -0.208 0.000 0.994 208 E CA 1.376 57.717 56.400 -0.098 0.000 0.800 208 E CB -0.266 29.403 29.700 -0.053 0.000 0.752 208 E HN 0.543 nan 8.360 nan 0.000 0.447 209 I N 1.685 122.095 120.570 -0.267 0.000 2.286 209 I HA -0.240 3.930 4.170 0.000 0.000 0.248 209 I C 1.893 177.593 176.117 -0.695 0.000 1.115 209 I CA 1.409 62.382 61.300 -0.545 0.000 1.392 209 I CB -0.181 37.507 38.000 -0.520 0.000 1.065 209 I HN 0.031 nan 8.210 nan 0.000 0.418 210 D N -0.320 119.852 120.400 -0.380 0.000 2.104 210 D HA -0.281 4.360 4.640 0.000 0.000 0.194 210 D C 2.134 178.304 176.300 -0.216 0.000 0.994 210 D CA 1.400 55.258 54.000 -0.235 0.000 0.830 210 D CB -0.126 40.607 40.800 -0.111 0.000 0.959 210 D HN 0.273 nan 8.370 nan 0.000 0.452 211 Q N -0.064 119.616 119.800 -0.199 0.000 2.061 211 Q HA -0.054 4.287 4.340 0.000 0.000 0.204 211 Q C 2.389 178.184 176.000 -0.343 0.000 0.984 211 Q CA 1.215 56.906 55.803 -0.187 0.000 0.846 211 Q CB -0.529 28.143 28.738 -0.109 0.000 0.902 211 Q HN 0.411 nan 8.270 nan 0.000 0.421 212 L N -0.927 120.016 121.223 -0.466 0.000 2.017 212 L HA -0.167 4.173 4.340 0.000 0.000 0.208 212 L C 2.113 178.441 176.870 -0.903 0.000 1.073 212 L CA 0.945 55.310 54.840 -0.792 0.000 0.745 212 L CB -0.499 41.015 42.059 -0.909 0.000 0.894 212 L HN 0.234 nan 8.230 nan 0.000 0.432 213 F N 0.296 119.814 119.950 -0.721 0.000 2.216 213 F HA -0.161 4.366 4.527 0.000 0.000 0.300 213 F C 2.714 178.174 175.800 -0.567 0.000 1.085 213 F CA 1.090 58.779 58.000 -0.518 0.000 1.326 213 F CB -0.912 37.958 39.000 -0.217 0.000 1.027 213 F HN 0.010 nan 8.300 nan 0.000 0.497 214 R N -0.030 120.317 120.500 -0.254 0.000 2.075 214 R HA -0.090 4.250 4.340 0.000 0.000 0.232 214 R C 2.316 178.442 176.300 -0.290 0.000 1.126 214 R CA 1.168 57.126 56.100 -0.237 0.000 0.963 214 R CB -0.392 29.832 30.300 -0.127 0.000 0.858 214 R HN 0.236 nan 8.270 nan 0.000 0.435 215 I N 0.019 120.267 120.570 -0.537 0.000 2.142 215 I HA -0.284 3.886 4.170 0.000 0.000 0.240 215 I C 1.760 177.878 176.117 0.003 0.000 1.078 215 I CA 1.145 62.033 61.300 -0.688 0.000 1.343 215 I CB -0.266 37.401 38.000 -0.555 0.000 1.046 215 I HN 0.067 nan 8.210 nan 0.000 0.405 216 F N 1.250 121.183 119.950 -0.028 0.000 2.161 216 F HA -0.177 4.350 4.527 0.000 0.000 0.300 216 F C 2.626 178.421 175.800 -0.008 0.000 1.089 216 F CA 1.254 59.333 58.000 0.132 0.000 1.282 216 F CB -1.225 37.918 39.000 0.239 0.000 1.010 216 F HN 0.037 nan 8.300 nan 0.000 0.485 217 R N -0.901 119.485 120.500 -0.189 0.000 2.237 217 R HA -0.085 4.256 4.340 0.000 0.000 0.219 217 R C 1.870 178.119 176.300 -0.086 0.000 1.080 217 R CA 1.504 57.360 56.100 -0.406 0.000 0.995 217 R CB -0.458 29.379 30.300 -0.771 0.000 0.875 217 R HN 0.226 nan 8.270 nan 0.000 0.462 218 T N -0.008 114.568 114.554 0.037 0.000 3.033 218 T HA 0.177 4.527 4.350 0.000 0.000 0.248 218 T C 1.494 176.275 174.700 0.136 0.000 1.040 218 T CA 0.451 62.600 62.100 0.082 0.000 1.133 218 T CB 0.388 69.400 68.868 0.239 0.000 0.895 218 T HN 0.085 nan 8.240 nan 0.000 0.465 219 L N 0.070 121.435 121.223 0.236 0.000 2.817 219 L HA 0.427 4.767 4.340 0.000 0.000 0.248 219 L C 0.903 177.996 176.870 0.371 0.000 1.133 219 L CA -0.208 54.811 54.840 0.299 0.000 0.935 219 L CB 0.506 42.712 42.059 0.245 0.000 1.266 219 L HN 0.414 nan 8.230 nan 0.000 0.535 220 G N 0.326 109.334 108.800 0.346 0.000 2.617 220 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 220 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 220 G C -0.372 174.667 174.900 0.233 0.000 1.214 220 G CA -0.939 44.330 45.100 0.283 0.000 0.796 220 G HN -0.122 nan 8.290 nan 0.000 0.654 221 T N 4.446 119.040 114.554 0.068 0.000 2.799 221 T HA 0.470 4.820 4.350 0.000 0.000 0.296 221 T C -1.443 173.047 174.700 -0.349 0.000 0.947 221 T CA 0.043 61.925 62.100 -0.363 0.000 1.141 221 T CB 1.092 69.800 68.868 -0.267 0.000 0.891 221 T HN 0.613 nan 8.240 nan 0.000 0.533 222 P HA 0.196 nan 4.420 nan 0.000 0.271 222 P C -0.790 176.366 177.300 -0.240 0.000 1.216 222 P CA -0.363 62.462 63.100 -0.457 0.000 0.771 222 P CB 0.752 32.024 31.700 -0.713 0.000 0.864 223 D N 0.817 121.140 120.400 -0.129 0.000 2.592 223 D HA 0.168 4.808 4.640 0.000 0.000 0.259 223 D C 1.011 177.252 176.300 -0.098 0.000 1.144 223 D CA -0.657 53.276 54.000 -0.111 0.000 1.080 223 D CB 0.281 41.047 40.800 -0.057 0.000 1.225 223 D HN 0.150 nan 8.370 nan 0.000 0.619 224 E N -0.543 119.592 120.200 -0.109 0.000 2.204 224 E HA -0.080 4.270 4.350 0.000 0.000 0.195 224 E C 2.001 178.603 176.600 0.003 0.000 0.990 224 E CA 0.573 56.924 56.400 -0.080 0.000 0.821 224 E CB -0.124 29.520 29.700 -0.093 0.000 0.750 224 E HN 0.333 nan 8.360 nan 0.000 0.477 225 V N 0.821 120.743 119.914 0.013 0.000 2.270 225 V HA -0.176 3.944 4.120 0.000 0.000 0.245 225 V C 2.469 178.618 176.094 0.092 0.000 1.043 225 V CA 1.610 63.938 62.300 0.046 0.000 1.014 225 V CB -0.571 31.273 31.823 0.035 0.000 0.645 225 V HN 0.158 nan 8.190 nan 0.000 0.447 226 V N -1.398 118.575 119.914 0.097 0.000 2.667 226 V HA -0.087 4.033 4.120 0.000 0.000 0.252 226 V C 0.493 176.742 176.094 0.258 0.000 1.065 226 V CA 1.261 63.648 62.300 0.145 0.000 1.083 226 V CB 0.201 32.094 31.823 0.117 0.000 0.692 226 V HN 0.715 nan 8.190 nan 0.000 0.468 227 W N 1.958 123.252 121.300 -0.009 0.000 2.534 227 W HA 0.538 5.198 4.660 0.000 0.000 0.292 227 W C -3.281 173.223 176.519 -0.025 0.000 1.027 227 W CA -3.310 54.042 57.345 0.011 0.000 1.304 227 W CB 0.658 30.100 29.460 -0.030 0.000 1.187 227 W HN 0.082 nan 8.180 nan 0.000 0.356 228 P HA 0.272 nan 4.420 nan 0.000 0.265 228 P C 0.814 178.137 177.300 0.038 0.000 1.193 228 P CA 2.539 65.710 63.100 0.119 0.000 0.765 228 P CB 0.941 32.722 31.700 0.135 0.000 0.823 229 G N 1.354 110.083 108.800 -0.119 0.000 2.217 229 G HA2 -0.308 3.652 3.960 0.000 0.000 0.246 229 G HA3 -0.308 3.652 3.960 0.000 0.000 0.246 229 G C 0.919 175.553 174.900 -0.444 0.000 0.990 229 G CA 0.320 45.301 45.100 -0.199 0.000 0.627 229 G HN 0.388 nan 8.290 nan 0.000 0.522 230 V N 0.824 120.306 119.914 -0.720 0.000 2.407 230 V HA -0.077 4.043 4.120 0.000 0.000 0.248 230 V C 2.856 178.372 176.094 -0.964 0.000 1.055 230 V CA 2.894 64.587 62.300 -1.011 0.000 1.049 230 V CB -1.453 29.726 31.823 -1.074 0.000 0.662 230 V HN 0.895 nan 8.190 nan 0.000 0.455 231 T N -3.681 110.303 114.554 -0.950 0.000 3.148 231 T HA 0.071 4.421 4.350 0.000 0.000 0.253 231 T C 1.562 175.942 174.700 -0.533 0.000 1.134 231 T CA 0.982 62.326 62.100 -1.260 0.000 1.051 231 T CB 0.137 68.567 68.868 -0.730 0.000 0.959 231 T HN 0.357 nan 8.240 nan 0.000 0.525 232 S N 0.428 115.905 115.700 -0.371 0.000 2.539 232 S HA 0.434 4.904 4.470 0.000 0.000 0.221 232 S C 0.566 175.084 174.600 -0.137 0.000 0.987 232 S CA -0.481 57.608 58.200 -0.184 0.000 0.929 232 S CB -0.227 62.882 63.200 -0.151 0.000 0.832 232 S HN 0.497 nan 8.310 nan 0.000 0.492 233 M N 2.162 121.660 119.600 -0.170 0.000 2.238 233 M HA 0.159 4.640 4.480 0.000 0.000 0.347 233 M C -1.658 174.638 176.300 -0.007 0.000 1.173 233 M CA -1.705 53.542 55.300 -0.089 0.000 1.147 233 M CB 0.186 32.713 32.600 -0.123 0.000 1.547 233 M HN -0.127 nan 8.290 nan 0.000 0.455 234 P HA -0.184 nan 4.420 nan 0.000 0.216 234 P C 0.215 177.519 177.300 0.008 0.000 1.154 234 P CA 1.460 64.546 63.100 -0.024 0.000 0.865 234 P CB 0.176 31.841 31.700 -0.058 0.000 0.789 235 D N -3.351 117.080 120.400 0.050 0.000 2.424 235 D HA 0.056 4.696 4.640 0.000 0.000 0.220 235 D C 0.042 176.451 176.300 0.181 0.000 1.150 235 D CA -0.287 53.766 54.000 0.088 0.000 0.831 235 D CB -0.356 40.499 40.800 0.091 0.000 0.981 235 D HN 0.204 nan 8.370 nan 0.000 0.500 236 Y N 1.996 122.302 120.300 0.011 0.000 2.309 236 Y HA 0.225 4.776 4.550 0.000 0.000 0.327 236 Y C -0.167 175.466 175.900 -0.445 0.000 1.172 236 Y CA -0.131 57.933 58.100 -0.059 0.000 1.280 236 Y CB 0.586 39.020 38.460 -0.044 0.000 1.234 236 Y HN -0.363 nan 8.280 nan 0.000 0.512 237 K N 7.210 126.446 120.400 -1.941 0.000 2.397 237 K HA 0.282 4.602 4.320 0.000 0.000 0.253 237 K C -2.392 173.369 176.600 -1.398 0.000 0.932 237 K CA -2.209 53.246 56.287 -1.387 0.000 0.795 237 K CB 1.530 33.344 32.500 -1.144 0.000 1.159 237 K HN 0.371 nan 8.250 nan 0.000 0.424 238 P HA -0.140 nan 4.420 nan 0.000 0.225 238 P C 0.913 178.052 177.300 -0.269 0.000 1.148 238 P CA 1.086 64.008 63.100 -0.296 0.000 0.779 238 P CB 0.246 31.875 31.700 -0.118 0.000 0.780 239 S N -2.463 113.052 115.700 -0.308 0.000 2.558 239 S HA 0.033 4.503 4.470 0.000 0.000 0.217 239 S C 0.670 175.240 174.600 -0.050 0.000 0.975 239 S CA -0.434 57.676 58.200 -0.150 0.000 0.912 239 S CB -1.040 62.099 63.200 -0.102 0.000 0.776 239 S HN -0.192 nan 8.310 nan 0.000 0.526 240 F N 3.909 123.763 119.950 -0.160 0.000 2.604 240 F HA 0.256 4.783 4.527 0.000 0.000 0.393 240 F C -1.994 173.628 175.800 -0.296 0.000 1.043 240 F CA -2.317 55.620 58.000 -0.105 0.000 1.227 240 F CB -0.821 38.145 39.000 -0.056 0.000 1.016 240 F HN 0.106 nan 8.300 nan 0.000 0.556 241 P HA -0.029 nan 4.420 nan 0.000 0.266 241 P C -0.605 176.317 177.300 -0.629 0.000 1.193 241 P CA 0.127 62.753 63.100 -0.790 0.000 0.770 241 P CB 0.416 31.040 31.700 -1.793 0.000 0.836 242 K N 2.844 122.950 120.400 -0.491 0.000 2.296 242 K HA 0.194 4.514 4.320 0.000 0.000 0.257 242 K C -0.513 175.953 176.600 -0.223 0.000 1.088 242 K CA -0.209 55.925 56.287 -0.255 0.000 0.980 242 K CB 0.620 33.029 32.500 -0.153 0.000 1.430 242 K HN 0.516 nan 8.250 nan 0.000 0.441 243 W N 1.152 122.425 121.300 -0.045 0.000 2.316 243 W HA 0.282 4.943 4.660 0.000 0.000 0.321 243 W C 0.608 177.133 176.519 0.009 0.000 1.203 243 W CA -0.924 56.414 57.345 -0.011 0.000 1.214 243 W CB 1.038 30.509 29.460 0.018 0.000 1.169 243 W HN 0.461 nan 8.180 nan 0.000 0.561 244 A N 3.708 126.672 122.820 0.241 0.000 2.425 244 A HA 0.215 4.535 4.320 0.000 0.000 0.242 244 A C 0.448 178.141 177.584 0.182 0.000 1.077 244 A CA -0.277 51.858 52.037 0.162 0.000 0.781 244 A CB 0.176 19.248 19.000 0.120 0.000 1.020 244 A HN 0.695 nan 8.150 nan 0.000 0.494 245 R N 1.494 122.088 120.500 0.157 0.000 2.543 245 R HA 0.160 4.501 4.340 0.000 0.000 0.277 245 R C -0.135 176.244 176.300 0.132 0.000 1.074 245 R CA -0.046 56.155 56.100 0.169 0.000 1.076 245 R CB 0.343 30.749 30.300 0.178 0.000 0.993 245 R HN 0.855 nan 8.270 nan 0.000 0.459 246 Q N 1.629 121.499 119.800 0.117 0.000 2.306 246 Q HA 0.013 4.354 4.340 0.000 0.000 0.241 246 Q C -0.773 175.285 176.000 0.098 0.000 0.948 246 Q CA -0.445 55.399 55.803 0.069 0.000 0.886 246 Q CB 1.157 29.896 28.738 0.001 0.000 1.227 246 Q HN 0.589 nan 8.270 nan 0.000 0.457 247 D N 1.182 121.623 120.400 0.069 0.000 2.434 247 D HA -0.100 4.540 4.640 0.000 0.000 0.252 247 D C 0.219 176.567 176.300 0.079 0.000 1.185 247 D CA 0.303 54.358 54.000 0.091 0.000 0.886 247 D CB 0.315 41.148 40.800 0.055 0.000 1.148 247 D HN 0.414 nan 8.370 nan 0.000 0.483 248 F N 2.602 122.534 119.950 -0.030 0.000 2.236 248 F HA -0.240 4.287 4.527 0.000 0.000 0.302 248 F C 2.669 178.420 175.800 -0.083 0.000 1.073 248 F CA 1.712 59.674 58.000 -0.062 0.000 1.336 248 F CB -0.405 38.554 39.000 -0.068 0.000 1.040 248 F HN 0.558 nan 8.300 nan 0.000 0.507 249 S N -0.605 115.129 115.700 0.056 0.000 2.400 249 S HA -0.195 4.276 4.470 0.000 0.000 0.232 249 S C 1.960 176.508 174.600 -0.086 0.000 1.025 249 S CA 0.933 59.124 58.200 -0.014 0.000 0.993 249 S CB -0.366 62.838 63.200 0.007 0.000 0.808 249 S HN 0.259 nan 8.310 nan 0.000 0.478 250 K N 1.015 121.355 120.400 -0.099 0.000 2.296 250 K HA 0.213 4.533 4.320 0.000 0.000 0.200 250 K C 2.091 178.566 176.600 -0.208 0.000 1.048 250 K CA 0.684 56.895 56.287 -0.126 0.000 0.966 250 K CB -0.758 31.689 32.500 -0.090 0.000 0.754 250 K HN 0.402 nan 8.250 nan 0.000 0.466 251 V N 0.880 120.594 119.914 -0.333 0.000 2.453 251 V HA -0.087 4.033 4.120 0.000 0.000 0.247 251 V C 1.099 176.953 176.094 -0.400 0.000 1.048 251 V CA 1.016 63.043 62.300 -0.455 0.000 1.049 251 V CB 0.072 31.398 31.823 -0.827 0.000 0.672 251 V HN -0.094 nan 8.190 nan 0.000 0.457 252 V N 0.358 120.061 119.914 -0.350 0.000 2.564 252 V HA 0.248 4.368 4.120 0.000 0.000 0.259 252 V C -1.855 174.123 176.094 -0.193 0.000 0.936 252 V CA -0.780 61.349 62.300 -0.285 0.000 0.867 252 V CB 1.056 32.662 31.823 -0.362 0.000 1.076 252 V HN 0.274 nan 8.190 nan 0.000 0.476 253 P HA -0.119 nan 4.420 nan 0.000 0.217 253 P C -1.313 175.942 177.300 -0.075 0.000 1.151 253 P CA 1.683 64.723 63.100 -0.099 0.000 0.849 253 P CB -0.608 31.040 31.700 -0.087 0.000 0.787 254 P HA -0.022 nan 4.420 nan 0.000 0.230 254 P C 0.127 177.411 177.300 -0.026 0.000 1.158 254 P CA 0.571 63.646 63.100 -0.042 0.000 0.769 254 P CB -0.091 31.587 31.700 -0.038 0.000 0.807 255 L N 0.555 121.742 121.223 -0.059 0.000 2.326 255 L HA 0.198 4.538 4.340 0.000 0.000 0.278 255 L C 0.635 177.502 176.870 -0.005 0.000 1.092 255 L CA 0.064 54.878 54.840 -0.044 0.000 0.810 255 L CB -0.018 41.950 42.059 -0.152 0.000 1.153 255 L HN -0.114 nan 8.230 nan 0.000 0.439 256 D N 1.966 122.394 120.400 0.046 0.000 2.478 256 D HA 0.051 4.691 4.640 0.000 0.000 0.269 256 D C 0.830 177.162 176.300 0.052 0.000 1.232 256 D CA -0.408 53.624 54.000 0.054 0.000 1.059 256 D CB 0.709 41.556 40.800 0.078 0.000 1.104 256 D HN 0.581 nan 8.370 nan 0.000 0.566 257 E N -0.147 120.088 120.200 0.058 0.000 2.070 257 E HA -0.228 4.122 4.350 0.000 0.000 0.197 257 E C 0.932 177.577 176.600 0.075 0.000 1.004 257 E CA 1.484 57.918 56.400 0.056 0.000 0.805 257 E CB 0.197 29.929 29.700 0.053 0.000 0.744 257 E HN 0.285 nan 8.360 nan 0.000 0.451 258 D N -0.777 119.702 120.400 0.131 0.000 2.117 258 D HA -0.096 4.544 4.640 0.000 0.000 0.198 258 D C 1.827 178.162 176.300 0.059 0.000 0.982 258 D CA 1.210 55.345 54.000 0.224 0.000 0.828 258 D CB -0.712 40.282 40.800 0.324 0.000 0.967 258 D HN 0.348 nan 8.370 nan 0.000 0.464 259 G N 0.982 109.739 108.800 -0.071 0.000 2.491 259 G HA2 -0.312 3.648 3.960 0.000 0.000 0.218 259 G HA3 -0.312 3.648 3.960 0.000 0.000 0.218 259 G C 1.718 176.443 174.900 -0.292 0.000 1.180 259 G CA 0.628 45.444 45.100 -0.474 0.000 0.774 259 G HN 0.242 nan 8.290 nan 0.000 0.562 260 R N 0.001 120.429 120.500 -0.119 0.000 2.092 260 R HA 0.016 4.356 4.340 0.000 0.000 0.231 260 R C 2.910 179.147 176.300 -0.104 0.000 1.119 260 R CA 1.130 57.217 56.100 -0.022 0.000 0.970 260 R CB -0.425 29.920 30.300 0.075 0.000 0.864 260 R HN 0.404 nan 8.270 nan 0.000 0.440 261 S N 1.054 116.700 115.700 -0.090 0.000 2.356 261 S HA -0.125 4.345 4.470 0.000 0.000 0.223 261 S C 1.865 176.361 174.600 -0.173 0.000 1.032 261 S CA 1.074 59.235 58.200 -0.065 0.000 1.005 261 S CB -0.138 63.149 63.200 0.144 0.000 0.867 261 S HN 0.207 nan 8.310 nan 0.000 0.449 262 L N 1.447 122.443 121.223 -0.378 0.000 2.027 262 L HA 0.118 4.458 4.340 0.000 0.000 0.206 262 L C 2.154 178.910 176.870 -0.191 0.000 1.074 262 L CA 1.726 56.238 54.840 -0.546 0.000 0.745 262 L CB -1.070 40.519 42.059 -0.784 0.000 0.898 262 L HN 0.452 nan 8.230 nan 0.000 0.433 263 L N -0.413 120.743 121.223 -0.112 0.000 2.046 263 L HA -0.177 4.163 4.340 0.000 0.000 0.208 263 L C 2.660 179.495 176.870 -0.059 0.000 1.077 263 L CA 2.232 57.058 54.840 -0.024 0.000 0.747 263 L CB -0.993 40.995 42.059 -0.118 0.000 0.896 263 L HN 0.547 nan 8.230 nan 0.000 0.432 264 S N -1.217 114.308 115.700 -0.292 0.000 2.383 264 S HA -0.267 4.203 4.470 0.000 0.000 0.229 264 S C 1.837 176.334 174.600 -0.173 0.000 1.030 264 S CA 1.393 59.265 58.200 -0.546 0.000 1.002 264 S CB -0.748 61.843 63.200 -1.016 0.000 0.829 264 S HN 0.689 nan 8.310 nan 0.000 0.467 265 Q N 0.670 120.415 119.800 -0.091 0.000 2.172 265 Q HA 0.159 4.499 4.340 0.000 0.000 0.200 265 Q C 2.218 178.249 176.000 0.052 0.000 0.964 265 Q CA 1.153 56.965 55.803 0.015 0.000 0.855 265 Q CB -0.418 28.328 28.738 0.013 0.000 0.918 265 Q HN 0.612 nan 8.270 nan 0.000 0.444 266 M N -0.008 119.607 119.600 0.025 0.000 2.374 266 M HA -0.080 4.400 4.480 0.000 0.000 0.264 266 M C 1.117 177.434 176.300 0.029 0.000 1.067 266 M CA 1.155 56.486 55.300 0.052 0.000 1.103 266 M CB 0.158 32.787 32.600 0.048 0.000 1.402 266 M HN 0.154 nan 8.290 nan 0.000 0.444 267 L N -1.394 119.810 121.223 -0.032 0.000 3.066 267 L HA 0.216 4.556 4.340 0.000 0.000 0.265 267 L C 0.119 177.036 176.870 0.077 0.000 1.232 267 L CA -0.501 54.255 54.840 -0.140 0.000 1.031 267 L CB -0.443 41.411 42.059 -0.342 0.000 1.379 267 L HN 0.133 nan 8.230 nan 0.000 0.563 268 H N -1.055 118.036 119.070 0.035 0.000 3.001 268 H HA -0.095 4.461 4.556 0.000 0.000 0.334 268 H C 0.707 176.059 175.328 0.039 0.000 1.034 268 H CA 0.872 56.937 56.048 0.028 0.000 1.420 268 H CB 0.620 30.387 29.762 0.007 0.000 1.405 268 H HN 0.036 nan 8.280 nan 0.000 0.593 269 Y N 1.213 121.420 120.300 -0.155 0.000 2.163 269 Y HA -0.144 4.406 4.550 0.000 0.000 0.288 269 Y C 1.221 176.554 175.900 -0.944 0.000 1.136 269 Y CA 1.623 59.507 58.100 -0.360 0.000 1.147 269 Y CB -0.038 38.308 38.460 -0.190 0.000 0.987 269 Y HN 0.659 nan 8.280 nan 0.000 0.509 270 D N 0.664 120.824 120.400 -0.401 0.000 2.344 270 D HA 0.050 4.690 4.640 0.000 0.000 0.253 270 D C -1.987 174.170 176.300 -0.238 0.000 1.255 270 D CA -2.128 51.502 54.000 -0.617 0.000 0.894 270 D CB 1.159 41.896 40.800 -0.106 0.000 1.067 270 D HN 0.026 nan 8.370 nan 0.000 0.492 271 P HA -0.163 nan 4.420 nan 0.000 0.216 271 P C 0.851 178.145 177.300 -0.009 0.000 1.154 271 P CA 0.984 64.049 63.100 -0.058 0.000 0.865 271 P CB 0.279 31.991 31.700 0.020 0.000 0.789 272 N N -0.821 117.879 118.700 0.001 0.000 2.289 272 N HA -0.112 4.628 4.740 0.000 0.000 0.184 272 N C 1.373 176.864 175.510 -0.031 0.000 1.016 272 N CA 1.067 54.121 53.050 0.007 0.000 0.872 272 N CB -0.342 38.165 38.487 0.033 0.000 0.973 272 N HN 0.300 nan 8.380 nan 0.000 0.433 273 K N 0.226 120.578 120.400 -0.080 0.000 2.334 273 K HA 0.091 4.411 4.320 0.000 0.000 0.195 273 K C 0.571 177.021 176.600 -0.249 0.000 1.045 273 K CA -0.251 55.901 56.287 -0.225 0.000 1.004 273 K CB 0.544 32.772 32.500 -0.452 0.000 0.837 273 K HN 0.071 nan 8.250 nan 0.000 0.510 274 R N 2.343 122.787 120.500 -0.093 0.000 2.494 274 R HA -0.010 4.331 4.340 0.000 0.000 0.291 274 R C 0.182 176.494 176.300 0.021 0.000 0.953 274 R CA 0.035 56.149 56.100 0.024 0.000 1.098 274 R CB 0.015 30.379 30.300 0.106 0.000 0.911 274 R HN 0.125 nan 8.270 nan 0.000 0.407 275 I N 3.436 124.029 120.570 0.039 0.000 2.872 275 I HA -0.117 4.053 4.170 0.000 0.000 0.291 275 I C 0.414 176.583 176.117 0.088 0.000 1.216 275 I CA 0.598 61.934 61.300 0.059 0.000 1.424 275 I CB 0.680 38.727 38.000 0.078 0.000 1.351 275 I HN 0.786 nan 8.210 nan 0.000 0.592 276 S N 5.762 121.517 115.700 0.092 0.000 2.601 276 S HA 0.391 4.861 4.470 0.000 0.000 0.271 276 S C 1.025 175.706 174.600 0.135 0.000 1.305 276 S CA -0.257 58.014 58.200 0.118 0.000 1.022 276 S CB 1.719 64.981 63.200 0.104 0.000 0.940 276 S HN 0.802 nan 8.310 nan 0.000 0.525 277 A N 2.085 125.002 122.820 0.162 0.000 1.917 277 A HA -0.170 4.150 4.320 0.000 0.000 0.219 277 A C 2.153 179.782 177.584 0.076 0.000 1.182 277 A CA 1.999 54.100 52.037 0.108 0.000 0.633 277 A CB -1.018 18.024 19.000 0.071 0.000 0.819 277 A HN 0.970 nan 8.150 nan 0.000 0.448 278 K N -0.397 120.054 120.400 0.084 0.000 2.001 278 K HA -0.178 4.142 4.320 0.000 0.000 0.214 278 K C 2.168 178.819 176.600 0.084 0.000 1.050 278 K CA 1.604 57.930 56.287 0.064 0.000 0.934 278 K CB -0.424 32.118 32.500 0.069 0.000 0.718 278 K HN 0.368 nan 8.250 nan 0.000 0.443 279 A N 0.755 123.637 122.820 0.102 0.000 1.972 279 A HA -0.097 4.224 4.320 0.000 0.000 0.219 279 A C 2.241 179.936 177.584 0.185 0.000 1.169 279 A CA 1.882 53.993 52.037 0.123 0.000 0.635 279 A CB -0.659 18.404 19.000 0.105 0.000 0.810 279 A HN 0.545 nan 8.150 nan 0.000 0.446 280 A N -0.317 122.622 122.820 0.199 0.000 2.015 280 A HA 0.059 4.379 4.320 0.000 0.000 0.219 280 A C 2.009 179.850 177.584 0.429 0.000 1.163 280 A CA 1.158 53.380 52.037 0.308 0.000 0.646 280 A CB -0.537 18.620 19.000 0.262 0.000 0.806 280 A HN 0.476 nan 8.150 nan 0.000 0.448 281 L N -1.084 120.285 121.223 0.243 0.000 2.187 281 L HA -0.197 4.144 4.340 0.000 0.000 0.213 281 L C 2.461 179.591 176.870 0.433 0.000 1.100 281 L CA 1.067 56.044 54.840 0.228 0.000 0.765 281 L CB -0.258 41.800 42.059 -0.003 0.000 0.904 281 L HN 0.436 nan 8.230 nan 0.000 0.437 282 A N -2.691 120.338 122.820 0.348 0.000 2.423 282 A HA 0.034 4.354 4.320 0.000 0.000 0.246 282 A C 0.625 178.382 177.584 0.289 0.000 1.278 282 A CA -0.317 51.885 52.037 0.276 0.000 0.903 282 A CB -0.468 18.633 19.000 0.169 0.000 0.997 282 A HN 0.258 nan 8.150 nan 0.000 0.510 283 H N 1.523 120.804 119.070 0.351 0.000 2.764 283 H HA 0.102 4.658 4.556 0.000 0.000 0.341 283 H C -1.516 173.934 175.328 0.203 0.000 1.072 283 H CA -1.147 55.055 56.048 0.257 0.000 1.444 283 H CB 1.324 31.238 29.762 0.255 0.000 1.458 283 H HN 0.082 nan 8.280 nan 0.000 0.572 284 P HA -0.237 nan 4.420 nan 0.000 0.218 284 P C 1.544 178.922 177.300 0.130 0.000 1.146 284 P CA 0.914 64.007 63.100 -0.011 0.000 0.820 284 P CB -0.221 31.405 31.700 -0.123 0.000 0.778 285 F N 0.197 120.232 119.950 0.142 0.000 2.184 285 F HA -0.187 4.340 4.527 0.000 0.000 0.301 285 F C 1.517 177.110 175.800 -0.345 0.000 1.076 285 F CA 1.387 59.279 58.000 -0.180 0.000 1.295 285 F CB -0.802 37.907 39.000 -0.486 0.000 1.026 285 F HN -0.214 nan 8.300 nan 0.000 0.494 286 F N 0.482 120.412 119.950 -0.033 0.000 2.727 286 F HA 0.101 4.628 4.527 0.000 0.000 0.302 286 F C 2.244 177.854 175.800 -0.317 0.000 1.097 286 F CA 0.313 58.116 58.000 -0.328 0.000 1.330 286 F CB -1.103 37.707 39.000 -0.317 0.000 1.084 286 F HN 0.150 nan 8.300 nan 0.000 0.578 287 Q N 0.791 120.560 119.800 -0.052 0.000 2.181 287 Q HA -0.228 4.113 4.340 0.000 0.000 0.205 287 Q C 0.495 176.436 176.000 -0.098 0.000 0.980 287 Q CA 2.144 57.914 55.803 -0.055 0.000 0.862 287 Q CB -0.629 28.090 28.738 -0.032 0.000 0.905 287 Q HN 0.429 nan 8.270 nan 0.000 0.429 288 D N 0.029 120.343 120.400 -0.144 0.000 2.462 288 D HA 0.095 4.735 4.640 0.000 0.000 0.221 288 D C 0.022 176.216 176.300 -0.176 0.000 1.173 288 D CA -0.501 53.416 54.000 -0.139 0.000 0.831 288 D CB 0.246 40.975 40.800 -0.119 0.000 1.001 288 D HN 0.101 nan 8.370 nan 0.000 0.499 289 V N 1.544 121.315 119.914 -0.238 0.000 2.599 289 V HA 0.289 4.410 4.120 0.000 0.000 0.300 289 V C 0.712 176.690 176.094 -0.194 0.000 1.034 289 V CA 0.980 63.114 62.300 -0.276 0.000 1.115 289 V CB 0.529 32.045 31.823 -0.513 0.000 0.934 289 V HN 0.609 nan 8.190 nan 0.000 0.485 290 T N 3.410 117.881 114.554 -0.137 0.000 2.644 290 T HA 0.511 4.861 4.350 0.000 0.000 0.253 290 T C -0.248 174.419 174.700 -0.056 0.000 0.910 290 T CA -0.698 61.352 62.100 -0.083 0.000 1.066 290 T CB 1.331 70.158 68.868 -0.069 0.000 1.484 290 T HN 0.545 nan 8.240 nan 0.000 0.560 291 K N 2.017 122.394 120.400 -0.037 0.000 2.920 291 K HA 0.386 4.707 4.320 0.000 0.000 0.175 291 K C -2.704 173.874 176.600 -0.037 0.000 1.099 291 K CA -1.654 54.618 56.287 -0.026 0.000 0.939 291 K CB 0.573 33.077 32.500 0.006 0.000 1.148 291 K HN 0.434 nan 8.250 nan 0.000 0.613 292 P HA 0.005 nan 4.420 nan 0.000 0.269 292 P C -0.312 176.958 177.300 -0.050 0.000 1.209 292 P CA -0.411 62.657 63.100 -0.053 0.000 0.776 292 P CB 0.915 32.575 31.700 -0.067 0.000 0.876 293 V N 4.985 124.886 119.914 -0.022 0.000 2.583 293 V HA 0.240 4.361 4.120 0.000 0.000 0.287 293 V C -1.560 174.542 176.094 0.015 0.000 1.051 293 V CA -1.094 61.202 62.300 -0.007 0.000 1.010 293 V CB 0.611 32.435 31.823 0.002 0.000 0.988 293 V HN 0.678 nan 8.190 nan 0.000 0.478 294 P HA 0.173 nan 4.420 nan 0.000 0.286 294 P C -0.423 177.008 177.300 0.217 0.000 1.261 294 P CA -0.535 62.640 63.100 0.125 0.000 0.821 294 P CB 0.468 32.170 31.700 0.004 0.000 1.013 295 H N 3.323 122.499 119.070 0.177 0.000 3.325 295 H HA 0.052 4.608 4.556 0.000 0.000 0.242 295 H C -0.555 174.892 175.328 0.198 0.000 1.117 295 H CA -0.315 55.817 56.048 0.141 0.000 1.470 295 H CB 0.123 29.947 29.762 0.102 0.000 1.573 295 H HN 0.177 nan 8.280 nan 0.000 0.501 296 L N 0.000 121.262 121.223 0.065 0.000 2.949 296 L HA 0.000 4.340 4.340 0.000 0.000 0.249 296 L CA 0.000 54.847 54.840 0.012 0.000 0.813 296 L CB 0.000 42.076 42.059 0.028 0.000 0.961 296 L HN 0.000 nan 8.230 nan 0.000 0.502