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 1t3q_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKFPAFSYRA PASLQEVIQV LADDPDARII AGGQSLLPLL AFRLVYPSCL DATA SEQUENCE VDLRNVSELF EISQSAGILS VGAMVTHFRN KTDPTVAKCV PILPKVLAHV DATA SEQUENCE AHQAVRNRGT LGGSLAHADA GAEMPFLMAT LGATMYIASS AGVRSVSATD DATA SEQUENCE FMKGHYFTDL EAGEVLVRVE IPIPALHWEF DEYARRKGDY ALVMAAAGLS DATA SEQUENCE MQGGRCVAAR IALGAVEERA HQAIRANDFL VGKVIDESTA ATAAELATEG DATA SEQUENCE LEPRSDIHGS RDLRLSLAKA ITQRVILKAA QGAMY 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.272 176.300 -0.046 0.000 1.140 1 M CA 0.000 55.318 55.300 0.030 0.000 0.988 1 M CB 0.000 32.608 32.600 0.014 0.000 1.302 2 K N 1.334 121.700 120.400 -0.055 0.000 2.174 2 K HA 0.462 4.782 4.320 -0.000 0.000 0.275 2 K C -0.551 176.050 176.600 0.001 0.000 1.015 2 K CA -0.214 55.974 56.287 -0.164 0.000 0.933 2 K CB 0.383 32.802 32.500 -0.135 0.000 1.025 2 K HN 0.244 nan 8.250 nan 0.000 0.463 3 F N 3.597 123.549 119.950 0.003 0.000 2.589 3 F HA 0.024 4.551 4.527 0.000 0.000 0.352 3 F C -0.938 174.891 175.800 0.049 0.000 1.168 3 F CA -1.444 56.588 58.000 0.055 0.000 1.353 3 F CB -0.057 39.051 39.000 0.181 0.000 1.116 3 F HN 0.320 nan 8.300 nan 0.000 0.608 4 P HA 0.215 nan 4.420 nan 0.000 0.276 4 P C -1.078 176.338 177.300 0.194 0.000 1.261 4 P CA -0.507 62.725 63.100 0.219 0.000 0.800 4 P CB 0.769 32.600 31.700 0.218 0.000 1.066 5 A N 1.053 123.932 122.820 0.099 0.000 2.386 5 A HA 0.607 4.927 4.320 -0.000 0.000 0.248 5 A C -0.223 177.400 177.584 0.065 0.000 1.082 5 A CA 0.140 52.137 52.037 -0.067 0.000 0.789 5 A CB -0.720 18.263 19.000 -0.028 0.000 1.025 5 A HN 0.568 nan 8.150 nan 0.000 0.490 6 F N -0.988 119.015 119.950 0.088 0.000 2.744 6 F HA 0.600 5.127 4.527 -0.000 0.000 0.311 6 F C -0.094 175.761 175.800 0.092 0.000 1.144 6 F CA -0.620 57.429 58.000 0.082 0.000 0.938 6 F CB 0.371 39.415 39.000 0.073 0.000 1.292 6 F HN 0.680 nan 8.300 nan 0.000 0.444 7 S N 0.610 116.524 115.700 0.357 0.000 2.707 7 S HA 0.767 5.237 4.470 -0.000 0.000 0.276 7 S C -1.413 173.444 174.600 0.429 0.000 1.179 7 S CA -0.489 57.879 58.200 0.279 0.000 0.992 7 S CB 1.933 65.234 63.200 0.169 0.000 1.030 7 S HN 1.162 nan 8.310 nan 0.000 0.554 8 Y N -0.249 120.155 120.300 0.173 0.000 2.470 8 Y HA 0.651 5.201 4.550 -0.000 0.000 0.341 8 Y C -0.820 175.132 175.900 0.085 0.000 1.021 8 Y CA -0.795 57.395 58.100 0.150 0.000 1.025 8 Y CB 1.557 40.123 38.460 0.177 0.000 1.266 8 Y HN 0.851 nan 8.280 nan 0.000 0.448 9 R N 3.614 123.760 120.500 -0.591 0.000 2.651 9 R HA 0.821 5.161 4.340 -0.000 0.000 0.278 9 R C -1.631 174.261 176.300 -0.679 0.000 1.010 9 R CA -1.061 54.762 56.100 -0.461 0.000 0.896 9 R CB 2.158 32.343 30.300 -0.192 0.000 1.211 9 R HN 0.719 nan 8.270 nan 0.000 0.456 10 A N 3.522 126.101 122.820 -0.401 0.000 3.159 10 A HA 0.372 4.691 4.320 -0.000 0.000 0.330 10 A C -2.339 175.189 177.584 -0.093 0.000 1.032 10 A CA -1.429 50.463 52.037 -0.241 0.000 0.841 10 A CB 0.290 19.226 19.000 -0.106 0.000 1.093 10 A HN 0.361 nan 8.150 nan 0.000 0.478 11 P HA 0.136 nan 4.420 nan 0.000 0.267 11 P C 0.773 178.066 177.300 -0.013 0.000 1.200 11 P CA 0.343 63.419 63.100 -0.039 0.000 0.772 11 P CB 1.182 32.859 31.700 -0.038 0.000 0.855 12 A N 1.872 124.689 122.820 -0.005 0.000 2.238 12 A HA 0.163 4.483 4.320 -0.000 0.000 0.208 12 A C 0.928 178.517 177.584 0.009 0.000 1.177 12 A CA 0.713 52.752 52.037 0.003 0.000 0.804 12 A CB -0.507 18.492 19.000 -0.001 0.000 0.823 12 A HN 0.688 nan 8.150 nan 0.000 0.482 13 S N -2.158 113.547 115.700 0.007 0.000 2.564 13 S HA 0.492 4.962 4.470 -0.000 0.000 0.274 13 S C 0.323 174.929 174.600 0.011 0.000 1.124 13 S CA -0.393 57.814 58.200 0.011 0.000 0.869 13 S CB 1.003 64.207 63.200 0.006 0.000 1.105 13 S HN 0.332 nan 8.310 nan 0.000 0.472 14 L N 1.444 122.676 121.223 0.015 0.000 2.046 14 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 14 L C 2.577 179.452 176.870 0.008 0.000 1.077 14 L CA 2.180 57.027 54.840 0.013 0.000 0.747 14 L CB -1.066 41.002 42.059 0.016 0.000 0.896 14 L HN 0.945 nan 8.230 nan 0.000 0.432 15 Q N -0.061 119.743 119.800 0.007 0.000 2.135 15 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 15 Q C 2.250 178.251 176.000 0.002 0.000 0.981 15 Q CA 2.110 57.917 55.803 0.006 0.000 0.856 15 Q CB -0.228 28.514 28.738 0.006 0.000 0.902 15 Q HN 0.710 nan 8.270 nan 0.000 0.425 16 E N -1.266 118.933 120.200 -0.001 0.000 2.106 16 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 16 E C 1.760 178.353 176.600 -0.012 0.000 0.984 16 E CA 1.102 57.498 56.400 -0.006 0.000 0.806 16 E CB 0.121 29.815 29.700 -0.009 0.000 0.750 16 E HN 0.217 nan 8.360 nan 0.000 0.458 17 V N 1.359 121.266 119.914 -0.012 0.000 2.255 17 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 17 V C 2.391 178.479 176.094 -0.011 0.000 1.051 17 V CA 1.860 64.149 62.300 -0.018 0.000 1.018 17 V CB -0.414 31.401 31.823 -0.013 0.000 0.641 17 V HN 0.361 nan 8.190 nan 0.000 0.445 18 I N -0.393 120.175 120.570 -0.003 0.000 2.208 18 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 18 I C 2.712 178.829 176.117 0.001 0.000 1.097 18 I CA 1.528 62.830 61.300 0.002 0.000 1.363 18 I CB -0.452 37.553 38.000 0.008 0.000 1.051 18 I HN 0.365 nan 8.210 nan 0.000 0.413 19 Q N 0.835 120.634 119.800 -0.001 0.000 2.084 19 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 19 Q C 2.355 178.354 176.000 -0.002 0.000 0.978 19 Q CA 1.775 57.578 55.803 -0.000 0.000 0.844 19 Q CB -0.171 28.566 28.738 -0.001 0.000 0.898 19 Q HN 0.396 nan 8.270 nan 0.000 0.426 20 V N 1.257 121.167 119.914 -0.008 0.000 2.295 20 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 20 V C 2.601 178.690 176.094 -0.008 0.000 1.049 20 V CA 1.513 63.807 62.300 -0.010 0.000 1.024 20 V CB -0.661 31.148 31.823 -0.023 0.000 0.648 20 V HN 0.283 nan 8.190 nan 0.000 0.447 21 L N 0.164 121.381 121.223 -0.009 0.000 2.083 21 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 21 L C 2.698 179.568 176.870 0.001 0.000 1.083 21 L CA 1.515 56.351 54.840 -0.006 0.000 0.752 21 L CB -0.787 41.268 42.059 -0.005 0.000 0.899 21 L HN 0.364 nan 8.230 nan 0.000 0.433 22 A N -0.447 122.374 122.820 0.003 0.000 1.930 22 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 22 A C 2.028 179.616 177.584 0.006 0.000 1.175 22 A CA 1.865 53.906 52.037 0.005 0.000 0.627 22 A CB -0.458 18.545 19.000 0.006 0.000 0.815 22 A HN 0.355 nan 8.150 nan 0.000 0.443 23 D N -0.408 119.995 120.400 0.005 0.000 2.224 23 D HA -0.058 4.582 4.640 -0.000 0.000 0.205 23 D C -0.370 175.935 176.300 0.009 0.000 0.965 23 D CA 0.802 54.806 54.000 0.007 0.000 0.852 23 D CB 0.037 40.840 40.800 0.006 0.000 0.947 23 D HN 0.305 nan 8.370 nan 0.000 0.494 24 D N -1.221 119.184 120.400 0.008 0.000 2.420 24 D HA 0.220 4.860 4.640 -0.000 0.000 0.255 24 D C -2.134 174.172 176.300 0.011 0.000 1.185 24 D CA -2.086 51.922 54.000 0.012 0.000 0.904 24 D CB 1.830 42.639 40.800 0.015 0.000 1.102 24 D HN -0.144 nan 8.370 nan 0.000 0.534 25 P HA -0.043 nan 4.420 nan 0.000 0.221 25 P C 0.325 177.633 177.300 0.013 0.000 1.145 25 P CA 0.794 63.901 63.100 0.011 0.000 0.795 25 P CB 0.418 32.124 31.700 0.011 0.000 0.775 26 D N -1.389 119.022 120.400 0.019 0.000 2.339 26 D HA 0.130 4.770 4.640 -0.000 0.000 0.217 26 D C 0.840 177.151 176.300 0.019 0.000 1.050 26 D CA 0.146 54.162 54.000 0.026 0.000 0.856 26 D CB -0.183 40.641 40.800 0.041 0.000 0.922 26 D HN 0.080 nan 8.370 nan 0.000 0.518 27 A N 0.883 123.708 122.820 0.009 0.000 2.371 27 A HA 0.529 4.849 4.320 -0.000 0.000 0.257 27 A C 0.395 177.962 177.584 -0.028 0.000 1.089 27 A CA -0.122 51.911 52.037 -0.007 0.000 0.794 27 A CB 0.611 19.607 19.000 -0.007 0.000 1.029 27 A HN -0.005 nan 8.150 nan 0.000 0.488 28 R N 0.926 121.390 120.500 -0.060 0.000 2.744 28 R HA 0.520 4.860 4.340 -0.000 0.000 0.279 28 R C -1.159 175.088 176.300 -0.088 0.000 0.977 28 R CA -0.722 55.334 56.100 -0.073 0.000 0.906 28 R CB 1.856 32.096 30.300 -0.100 0.000 1.197 28 R HN 0.692 nan 8.270 nan 0.000 0.463 29 I N 2.572 123.102 120.570 -0.065 0.000 2.638 29 I HA 0.279 4.449 4.170 -0.000 0.000 0.286 29 I C 0.151 176.222 176.117 -0.077 0.000 1.088 29 I CA -0.157 61.106 61.300 -0.061 0.000 1.397 29 I CB 0.875 38.855 38.000 -0.033 0.000 1.414 29 I HN 0.433 nan 8.210 nan 0.000 0.566 30 I N 4.835 125.365 120.570 -0.066 0.000 2.533 30 I HA 0.557 4.727 4.170 -0.000 0.000 0.290 30 I C -0.072 176.030 176.117 -0.026 0.000 1.056 30 I CA -0.160 61.104 61.300 -0.061 0.000 1.057 30 I CB 1.663 39.630 38.000 -0.054 0.000 1.240 30 I HN 0.767 nan 8.210 nan 0.000 0.423 31 A N 4.927 127.725 122.820 -0.037 0.000 2.538 31 A HA 0.497 4.817 4.320 -0.000 0.000 0.214 31 A C 1.501 179.070 177.584 -0.026 0.000 2.355 31 A CA 0.615 52.631 52.037 -0.035 0.000 1.493 31 A CB -1.081 17.878 19.000 -0.067 0.000 1.143 31 A HN 0.743 nan 8.150 nan 0.000 0.452 32 G N -1.530 107.236 108.800 -0.055 0.000 2.623 32 G HA2 0.352 4.312 3.960 -0.000 0.000 0.214 32 G HA3 0.352 4.312 3.960 -0.000 0.000 0.214 32 G C 1.288 176.163 174.900 -0.041 0.000 1.138 32 G CA 1.011 46.082 45.100 -0.048 0.000 0.794 32 G HN 2.006 nan 8.290 nan 0.000 0.535 33 G N -0.210 108.552 108.800 -0.063 0.000 2.189 33 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.267 33 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.267 33 G C 1.240 176.087 174.900 -0.088 0.000 0.975 33 G CA 0.797 45.845 45.100 -0.087 0.000 0.644 33 G HN 0.448 nan 8.290 nan 0.000 0.537 34 Q N -0.021 119.740 119.800 -0.065 0.000 2.436 34 Q HA 0.136 4.476 4.340 -0.000 0.000 0.209 34 Q C 2.260 178.216 176.000 -0.073 0.000 0.965 34 Q CA 1.575 57.354 55.803 -0.040 0.000 0.910 34 Q CB 0.043 28.784 28.738 0.005 0.000 0.980 34 Q HN 0.573 nan 8.270 nan 0.000 0.491 35 S N -0.396 115.203 115.700 -0.168 0.000 2.665 35 S HA 0.071 4.541 4.470 -0.000 0.000 0.240 35 S C 1.509 175.927 174.600 -0.303 0.000 1.081 35 S CA -0.288 57.714 58.200 -0.330 0.000 0.887 35 S CB 0.269 63.004 63.200 -0.774 0.000 0.805 35 S HN 0.182 nan 8.310 nan 0.000 0.486 36 L N 2.505 123.577 121.223 -0.251 0.000 2.044 36 L HA 0.188 4.528 4.340 -0.000 0.000 0.205 36 L C 1.793 178.490 176.870 -0.289 0.000 1.075 36 L CA 1.676 56.373 54.840 -0.238 0.000 0.747 36 L CB -0.626 41.298 42.059 -0.224 0.000 0.903 36 L HN 0.255 nan 8.230 nan 0.000 0.435 37 L N -0.380 120.661 121.223 -0.302 0.000 2.083 37 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 37 L C -0.087 176.633 176.870 -0.249 0.000 1.083 37 L CA 1.150 55.731 54.840 -0.432 0.000 0.752 37 L CB -2.054 39.838 42.059 -0.277 0.000 0.899 37 L HN 0.256 nan 8.230 nan 0.000 0.433 38 P HA -0.159 nan 4.420 nan 0.000 0.217 38 P C 2.015 179.195 177.300 -0.199 0.000 1.150 38 P CA 1.260 64.251 63.100 -0.181 0.000 0.832 38 P CB 0.109 31.756 31.700 -0.088 0.000 0.787 39 L N -1.616 119.543 121.223 -0.106 0.000 2.083 39 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 39 L C 2.380 179.203 176.870 -0.078 0.000 1.083 39 L CA 1.312 56.133 54.840 -0.031 0.000 0.752 39 L CB -0.874 41.138 42.059 -0.078 0.000 0.899 39 L HN -0.007 nan 8.230 nan 0.000 0.433 40 L N -0.554 120.553 121.223 -0.192 0.000 2.093 40 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 40 L C 2.843 179.756 176.870 0.073 0.000 1.085 40 L CA 0.971 55.701 54.840 -0.183 0.000 0.755 40 L CB -0.627 41.130 42.059 -0.504 0.000 0.904 40 L HN 0.227 nan 8.230 nan 0.000 0.435 41 A N -0.340 122.545 122.820 0.109 0.000 1.972 41 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 41 A C 1.943 179.524 177.584 -0.005 0.000 1.169 41 A CA 1.379 53.484 52.037 0.112 0.000 0.635 41 A CB -0.700 18.235 19.000 -0.108 0.000 0.810 41 A HN 0.434 nan 8.150 nan 0.000 0.446 42 F N -1.169 118.820 119.950 0.065 0.000 2.765 42 F HA 0.182 4.709 4.527 -0.000 0.000 0.302 42 F C 0.685 176.480 175.800 -0.009 0.000 1.111 42 F CA -0.277 57.743 58.000 0.032 0.000 1.359 42 F CB 0.165 39.181 39.000 0.026 0.000 1.097 42 F HN 0.084 nan 8.300 nan 0.000 0.577 43 R N 0.774 121.323 120.500 0.081 0.000 3.333 43 R HA -0.218 4.122 4.340 -0.000 0.000 0.256 43 R C 0.446 176.624 176.300 -0.205 0.000 1.010 43 R CA 0.155 56.156 56.100 -0.165 0.000 0.680 43 R CB -2.318 27.964 30.300 -0.030 0.000 1.102 43 R HN 0.445 nan 8.270 nan 0.000 0.440 44 L N -0.179 120.983 121.223 -0.103 0.000 2.529 44 L HA 0.107 4.447 4.340 -0.000 0.000 0.223 44 L C 0.927 177.754 176.870 -0.072 0.000 1.113 44 L CA 0.316 55.144 54.840 -0.021 0.000 0.861 44 L CB 0.571 42.653 42.059 0.038 0.000 1.012 44 L HN 0.189 nan 8.230 nan 0.000 0.461 45 V N -4.893 114.870 119.914 -0.251 0.000 2.971 45 V HA 0.451 4.571 4.120 -0.000 0.000 0.309 45 V C -1.440 174.439 176.094 -0.358 0.000 1.130 45 V CA -0.735 61.471 62.300 -0.156 0.000 0.964 45 V CB 1.770 33.522 31.823 -0.118 0.000 1.029 45 V HN 0.054 nan 8.190 nan 0.000 0.427 46 Y N 3.747 124.058 120.300 0.018 0.000 2.584 46 Y HA 0.557 5.107 4.550 -0.000 0.000 0.358 46 Y C -2.186 173.737 175.900 0.038 0.000 1.028 46 Y CA -1.980 56.150 58.100 0.050 0.000 1.148 46 Y CB 0.938 39.432 38.460 0.057 0.000 1.126 46 Y HN 0.605 nan 8.280 nan 0.000 0.658 47 P HA 0.108 nan 4.420 nan 0.000 0.274 47 P C 0.626 178.004 177.300 0.131 0.000 1.231 47 P CA 0.001 63.126 63.100 0.043 0.000 0.790 47 P CB 2.033 33.665 31.700 -0.113 0.000 0.951 48 S N 0.549 116.314 115.700 0.108 0.000 2.439 48 S HA 0.062 4.532 4.470 -0.000 0.000 0.224 48 S C 0.882 175.586 174.600 0.174 0.000 1.029 48 S CA 0.038 58.322 58.200 0.140 0.000 0.946 48 S CB -0.439 62.815 63.200 0.090 0.000 0.797 48 S HN 0.721 nan 8.310 nan 0.000 0.504 49 C N 0.780 120.146 119.300 0.111 0.000 2.985 49 C HA 0.660 5.120 4.460 -0.000 0.000 0.332 49 C C -1.562 173.423 174.990 -0.007 0.000 1.164 49 C CA -1.115 57.973 59.018 0.117 0.000 1.347 49 C CB 0.696 28.483 27.740 0.080 0.000 1.764 49 C HN 0.586 nan 8.230 nan 0.000 0.489 50 L N 5.167 126.383 121.223 -0.011 0.000 2.296 50 L HA 0.613 4.953 4.340 -0.000 0.000 0.286 50 L C -0.450 176.357 176.870 -0.104 0.000 1.023 50 L CA -0.595 54.174 54.840 -0.117 0.000 0.812 50 L CB 1.788 43.720 42.059 -0.212 0.000 1.223 50 L HN 0.501 nan 8.230 nan 0.000 0.421 51 V N 2.226 122.064 119.914 -0.127 0.000 2.311 51 V HA 0.183 4.303 4.120 -0.000 0.000 0.275 51 V C 0.005 176.012 176.094 -0.144 0.000 1.022 51 V CA -0.634 61.566 62.300 -0.168 0.000 0.830 51 V CB 1.279 33.040 31.823 -0.104 0.000 1.012 51 V HN 0.614 nan 8.190 nan 0.000 0.452 52 D N 3.484 123.753 120.400 -0.218 0.000 2.345 52 D HA 0.248 4.888 4.640 -0.000 0.000 0.247 52 D C 0.650 176.930 176.300 -0.035 0.000 1.108 52 D CA -0.018 53.939 54.000 -0.072 0.000 0.894 52 D CB 1.788 42.584 40.800 -0.005 0.000 1.203 52 D HN 0.432 nan 8.370 nan 0.000 0.430 53 L N 3.688 124.925 121.223 0.024 0.000 2.667 53 L HA 0.145 4.485 4.340 -0.000 0.000 0.232 53 L C 2.234 179.208 176.870 0.173 0.000 1.138 53 L CA -0.217 54.655 54.840 0.054 0.000 0.921 53 L CB -0.037 42.028 42.059 0.010 0.000 1.180 53 L HN 0.371 nan 8.230 nan 0.000 0.487 54 R N -0.269 120.345 120.500 0.191 0.000 2.127 54 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 54 R C 0.902 177.311 176.300 0.181 0.000 1.134 54 R CA 1.543 57.813 56.100 0.285 0.000 0.975 54 R CB -0.434 29.978 30.300 0.187 0.000 0.865 54 R HN 0.290 nan 8.270 nan 0.000 0.447 55 N N 0.742 119.508 118.700 0.109 0.000 2.268 55 N HA 0.083 4.823 4.740 -0.000 0.000 0.204 55 N C -0.731 174.815 175.510 0.061 0.000 1.124 55 N CA 0.163 53.236 53.050 0.039 0.000 0.838 55 N CB 1.286 39.783 38.487 0.017 0.000 0.994 55 N HN 0.020 nan 8.380 nan 0.000 0.489 56 V N 2.058 122.066 119.914 0.157 0.000 2.218 56 V HA 0.044 4.164 4.120 -0.000 0.000 0.261 56 V C 1.612 177.853 176.094 0.244 0.000 1.142 56 V CA -0.265 62.122 62.300 0.145 0.000 0.965 56 V CB 0.269 32.161 31.823 0.116 0.000 1.190 56 V HN 0.218 nan 8.190 nan 0.000 0.478 57 S N 3.029 118.806 115.700 0.129 0.000 2.380 57 S HA -0.292 4.178 4.470 -0.000 0.000 0.229 57 S C 1.746 176.479 174.600 0.222 0.000 1.043 57 S CA 1.833 60.104 58.200 0.118 0.000 1.038 57 S CB -0.322 62.877 63.200 -0.002 0.000 0.872 57 S HN 0.844 nan 8.310 nan 0.000 0.456 58 E N 2.252 122.532 120.200 0.134 0.000 2.209 58 E HA -0.152 4.198 4.350 -0.000 0.000 0.196 58 E C 2.031 178.689 176.600 0.097 0.000 0.993 58 E CA 1.170 57.625 56.400 0.092 0.000 0.819 58 E CB -0.797 28.929 29.700 0.042 0.000 0.745 58 E HN 0.640 nan 8.360 nan 0.000 0.477 59 L N -0.421 120.876 121.223 0.124 0.000 2.551 59 L HA 0.027 4.367 4.340 -0.000 0.000 0.228 59 L C 1.389 178.166 176.870 -0.155 0.000 1.153 59 L CA 0.455 55.278 54.840 -0.028 0.000 0.851 59 L CB -0.352 41.648 42.059 -0.098 0.000 0.959 59 L HN -0.023 nan 8.230 nan 0.000 0.451 60 F N -0.370 119.571 119.950 -0.015 0.000 2.695 60 F HA 0.140 4.667 4.527 -0.000 0.000 0.303 60 F C 1.173 176.964 175.800 -0.016 0.000 1.091 60 F CA -0.542 57.451 58.000 -0.012 0.000 1.300 60 F CB 0.118 39.115 39.000 -0.005 0.000 1.071 60 F HN 0.010 nan 8.300 nan 0.000 0.578 61 E N 1.550 121.821 120.200 0.118 0.000 2.373 61 E HA 0.347 4.697 4.350 -0.000 0.000 0.267 61 E C -0.373 176.234 176.600 0.012 0.000 1.032 61 E CA 0.038 56.472 56.400 0.057 0.000 0.889 61 E CB 1.364 31.083 29.700 0.031 0.000 0.984 61 E HN 0.153 nan 8.360 nan 0.000 0.425 62 I N 2.112 122.686 120.570 0.007 0.000 2.466 62 I HA 0.255 4.425 4.170 -0.000 0.000 0.289 62 I C -0.325 175.781 176.117 -0.018 0.000 1.026 62 I CA -0.384 60.908 61.300 -0.014 0.000 1.078 62 I CB 1.697 39.688 38.000 -0.014 0.000 1.249 62 I HN 0.571 nan 8.210 nan 0.000 0.429 63 S N 4.934 120.617 115.700 -0.029 0.000 2.615 63 S HA 0.628 5.098 4.470 -0.000 0.000 0.269 63 S C -1.305 173.276 174.600 -0.033 0.000 1.161 63 S CA -0.871 57.312 58.200 -0.029 0.000 0.817 63 S CB 2.320 65.501 63.200 -0.031 0.000 1.131 63 S HN 0.675 nan 8.310 nan 0.000 0.467 64 Q N 0.173 119.956 119.800 -0.028 0.000 2.397 64 Q HA 0.802 5.142 4.340 -0.000 0.000 0.275 64 Q C -1.555 174.429 176.000 -0.025 0.000 1.090 64 Q CA -0.651 55.137 55.803 -0.026 0.000 0.809 64 Q CB 2.140 30.866 28.738 -0.020 0.000 1.362 64 Q HN 0.872 nan 8.270 nan 0.000 0.431 65 S N 1.502 117.187 115.700 -0.025 0.000 2.590 65 S HA 0.531 5.001 4.470 -0.000 0.000 0.286 65 S C -1.138 173.452 174.600 -0.017 0.000 1.147 65 S CA 0.278 58.464 58.200 -0.023 0.000 0.963 65 S CB 0.990 64.171 63.200 -0.031 0.000 1.124 65 S HN 1.846 nan 8.310 nan 0.000 0.458 66 A N 2.917 125.731 122.820 -0.011 0.000 2.251 66 A HA 0.184 4.504 4.320 -0.000 0.000 0.283 66 A C 1.734 179.317 177.584 -0.002 0.000 1.415 66 A CA 1.388 53.421 52.037 -0.006 0.000 0.742 66 A CB -2.136 16.860 19.000 -0.006 0.000 1.151 66 A HN 2.810 nan 8.150 nan 0.000 0.354 67 G N -1.227 107.573 108.800 -0.000 0.000 2.166 67 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.260 67 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.260 67 G C 0.364 175.266 174.900 0.003 0.000 0.986 67 G CA 1.044 46.147 45.100 0.004 0.000 0.683 67 G HN 2.576 nan 8.290 nan 0.000 0.527 68 I N -1.305 119.262 120.570 -0.005 0.000 2.569 68 I HA 0.711 4.881 4.170 -0.000 0.000 0.290 68 I C -0.581 175.523 176.117 -0.021 0.000 1.088 68 I CA -1.489 59.806 61.300 -0.009 0.000 1.047 68 I CB 1.724 39.721 38.000 -0.005 0.000 1.237 68 I HN -0.009 nan 8.210 nan 0.000 0.421 69 L N 6.298 127.506 121.223 -0.025 0.000 2.276 69 L HA 0.431 4.771 4.340 -0.000 0.000 0.286 69 L C -0.292 176.553 176.870 -0.042 0.000 1.061 69 L CA -0.052 54.767 54.840 -0.034 0.000 0.807 69 L CB 1.586 43.623 42.059 -0.038 0.000 1.177 69 L HN 0.807 nan 8.230 nan 0.000 0.429 70 S N 4.265 119.935 115.700 -0.050 0.000 2.438 70 S HA 0.552 5.022 4.470 -0.000 0.000 0.316 70 S C -0.726 173.839 174.600 -0.057 0.000 1.084 70 S CA -0.545 57.617 58.200 -0.063 0.000 1.107 70 S CB 0.973 64.121 63.200 -0.086 0.000 0.981 70 S HN 0.412 nan 8.310 nan 0.000 0.466 71 V N 4.946 124.825 119.914 -0.059 0.000 2.409 71 V HA 0.590 4.710 4.120 -0.000 0.000 0.291 71 V C 1.059 177.111 176.094 -0.071 0.000 1.020 71 V CA -0.748 61.516 62.300 -0.060 0.000 0.848 71 V CB 1.338 33.123 31.823 -0.062 0.000 0.990 71 V HN 0.960 nan 8.190 nan 0.000 0.430 72 G N 2.777 111.532 108.800 -0.075 0.000 2.544 72 G HA2 0.402 4.362 3.960 -0.000 0.000 0.242 72 G HA3 0.402 4.362 3.960 -0.000 0.000 0.242 72 G C 1.092 175.908 174.900 -0.141 0.000 1.247 72 G CA 0.220 45.261 45.100 -0.097 0.000 0.840 72 G HN 1.070 nan 8.290 nan 0.000 0.578 73 A N 2.105 124.838 122.820 -0.145 0.000 1.978 73 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 73 A C 2.059 179.501 177.584 -0.236 0.000 1.170 73 A CA 1.246 53.190 52.037 -0.155 0.000 0.636 73 A CB -0.165 18.765 19.000 -0.117 0.000 0.810 73 A HN 0.495 nan 8.150 nan 0.000 0.448 74 M N 0.108 119.466 119.600 -0.403 0.000 2.505 74 M HA 0.173 4.653 4.480 -0.000 0.000 0.230 74 M C 0.038 175.974 176.300 -0.606 0.000 1.153 74 M CA 0.031 54.937 55.300 -0.657 0.000 0.997 74 M CB -0.347 31.472 32.600 -1.301 0.000 1.606 74 M HN 0.041 nan 8.290 nan 0.000 0.481 75 V N 2.367 122.083 119.914 -0.331 0.000 2.470 75 V HA 0.060 4.180 4.120 -0.000 0.000 0.276 75 V C 1.067 177.089 176.094 -0.121 0.000 1.040 75 V CA -0.336 61.868 62.300 -0.160 0.000 1.008 75 V CB 0.337 32.106 31.823 -0.090 0.000 0.990 75 V HN 0.522 nan 8.190 nan 0.000 0.477 76 T N 2.130 116.654 114.554 -0.051 0.000 2.860 76 T HA 0.104 4.454 4.350 -0.000 0.000 0.299 76 T C 1.240 175.947 174.700 0.011 0.000 1.045 76 T CA -0.290 61.776 62.100 -0.058 0.000 1.071 76 T CB 0.566 69.479 68.868 0.075 0.000 0.985 76 T HN 0.626 nan 8.240 nan 0.000 0.537 77 H N 0.660 119.761 119.070 0.050 0.000 2.352 77 H HA -0.060 4.496 4.556 -0.000 0.000 0.299 77 H C 1.661 177.014 175.328 0.042 0.000 1.097 77 H CA 1.720 57.784 56.048 0.026 0.000 1.311 77 H CB -0.627 29.153 29.762 0.031 0.000 1.377 77 H HN 0.773 nan 8.280 nan 0.000 0.504 78 F N 2.153 122.163 119.950 0.099 0.000 2.095 78 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 78 F C 2.521 178.343 175.800 0.036 0.000 1.104 78 F CA 1.543 59.575 58.000 0.055 0.000 1.232 78 F CB -0.163 38.860 39.000 0.039 0.000 0.987 78 F HN -0.088 nan 8.300 nan 0.000 0.475 79 R N 0.238 120.651 120.500 -0.146 0.000 2.081 79 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 79 R C 2.084 178.259 176.300 -0.209 0.000 1.131 79 R CA 1.815 57.770 56.100 -0.241 0.000 0.960 79 R CB -0.829 29.473 30.300 0.003 0.000 0.856 79 R HN 0.457 nan 8.270 nan 0.000 0.436 80 N N 0.473 119.111 118.700 -0.104 0.000 2.149 80 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 80 N C 1.679 177.117 175.510 -0.119 0.000 1.019 80 N CA 0.905 53.905 53.050 -0.083 0.000 0.857 80 N CB 0.026 38.497 38.487 -0.027 0.000 0.997 80 N HN 0.128 nan 8.380 nan 0.000 0.426 81 K N 0.405 120.715 120.400 -0.149 0.000 2.432 81 K HA -0.026 4.293 4.320 -0.000 0.000 0.196 81 K C 1.211 177.686 176.600 -0.207 0.000 1.038 81 K CA 1.259 57.456 56.287 -0.150 0.000 0.986 81 K CB 0.259 32.695 32.500 -0.106 0.000 0.782 81 K HN 0.268 nan 8.250 nan 0.000 0.485 82 T N -3.245 111.115 114.554 -0.323 0.000 2.969 82 T HA 0.037 4.387 4.350 -0.000 0.000 0.258 82 T C 0.327 174.900 174.700 -0.210 0.000 0.962 82 T CA -0.531 61.384 62.100 -0.308 0.000 0.903 82 T CB 0.004 68.549 68.868 -0.537 0.000 1.177 82 T HN 0.040 nan 8.240 nan 0.000 0.511 83 D N 3.082 123.369 120.400 -0.189 0.000 2.458 83 D HA 0.084 4.724 4.640 -0.000 0.000 0.243 83 D C -1.516 174.739 176.300 -0.075 0.000 1.146 83 D CA -1.298 52.635 54.000 -0.112 0.000 0.877 83 D CB 1.803 42.550 40.800 -0.087 0.000 1.176 83 D HN 0.023 nan 8.370 nan 0.000 0.461 84 P HA -0.119 nan 4.420 nan 0.000 0.215 84 P C 1.318 178.600 177.300 -0.030 0.000 1.157 84 P CA 1.335 64.413 63.100 -0.035 0.000 0.868 84 P CB 0.159 31.845 31.700 -0.024 0.000 0.788 85 T N -0.538 113.999 114.554 -0.029 0.000 2.652 85 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 85 T C 1.866 176.547 174.700 -0.031 0.000 1.039 85 T CA 1.485 63.570 62.100 -0.026 0.000 1.153 85 T CB -1.163 67.691 68.868 -0.024 0.000 0.863 85 T HN -0.129 nan 8.240 nan 0.000 0.428 86 V N 1.829 121.718 119.914 -0.041 0.000 2.287 86 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 86 V C 2.917 178.985 176.094 -0.042 0.000 1.053 86 V CA 1.751 64.023 62.300 -0.047 0.000 1.027 86 V CB -1.300 30.486 31.823 -0.062 0.000 0.646 86 V HN 0.557 nan 8.190 nan 0.000 0.447 87 A N 0.929 123.724 122.820 -0.043 0.000 1.940 87 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 87 A C 2.289 179.864 177.584 -0.016 0.000 1.176 87 A CA 2.416 54.434 52.037 -0.032 0.000 0.631 87 A CB -0.463 18.517 19.000 -0.034 0.000 0.814 87 A HN 0.759 nan 8.150 nan 0.000 0.446 88 K N -1.548 118.844 120.400 -0.014 0.000 2.186 88 K HA 0.000 4.320 4.320 -0.000 0.000 0.202 88 K C 1.816 178.416 176.600 0.000 0.000 1.052 88 K CA 1.345 57.630 56.287 -0.003 0.000 0.965 88 K CB -0.493 32.004 32.500 -0.004 0.000 0.746 88 K HN 0.383 nan 8.250 nan 0.000 0.457 89 C N 0.734 120.029 119.300 -0.008 0.000 2.538 89 C HA 0.163 4.623 4.460 -0.000 0.000 0.281 89 C C 1.053 176.040 174.990 -0.005 0.000 1.320 89 C CA -0.186 58.828 59.018 -0.006 0.000 1.714 89 C CB 0.250 27.981 27.740 -0.015 0.000 2.095 89 C HN 0.274 nan 8.230 nan 0.000 0.497 90 V N 1.986 121.887 119.914 -0.021 0.000 2.405 90 V HA 0.176 4.296 4.120 -0.000 0.000 0.253 90 V C -1.483 174.588 176.094 -0.039 0.000 0.963 90 V CA -0.619 61.661 62.300 -0.033 0.000 1.003 90 V CB 0.623 32.406 31.823 -0.066 0.000 1.251 90 V HN 0.279 nan 8.190 nan 0.000 0.520 91 P HA -0.186 nan 4.420 nan 0.000 0.220 91 P C 1.623 178.911 177.300 -0.019 0.000 1.144 91 P CA 1.118 64.212 63.100 -0.010 0.000 0.800 91 P CB 0.706 32.416 31.700 0.016 0.000 0.772 92 I N -0.834 119.716 120.570 -0.033 0.000 2.546 92 I HA -0.126 4.043 4.170 -0.000 0.000 0.255 92 I C 2.336 178.389 176.117 -0.107 0.000 1.163 92 I CA 0.737 62.008 61.300 -0.048 0.000 1.457 92 I CB -0.866 37.088 38.000 -0.075 0.000 1.092 92 I HN -0.181 nan 8.210 nan 0.000 0.434 93 L N 1.702 122.849 121.223 -0.126 0.000 1.970 93 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 93 L C -0.316 176.482 176.870 -0.120 0.000 1.071 93 L CA 1.774 56.527 54.840 -0.146 0.000 0.751 93 L CB -1.655 40.330 42.059 -0.125 0.000 0.889 93 L HN 0.210 nan 8.230 nan 0.000 0.432 94 P HA -0.171 nan 4.420 nan 0.000 0.220 94 P C 1.042 178.307 177.300 -0.058 0.000 1.148 94 P CA 1.403 64.457 63.100 -0.075 0.000 0.803 94 P CB -0.105 31.555 31.700 -0.067 0.000 0.782 95 K N -0.334 120.047 120.400 -0.032 0.000 2.155 95 K HA -0.008 4.312 4.320 -0.000 0.000 0.203 95 K C 2.053 178.684 176.600 0.053 0.000 1.052 95 K CA 0.863 57.164 56.287 0.024 0.000 0.948 95 K CB -0.391 32.156 32.500 0.078 0.000 0.728 95 K HN 0.047 nan 8.250 nan 0.000 0.448 96 V N 1.692 121.558 119.914 -0.079 0.000 2.488 96 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 96 V C 2.087 178.098 176.094 -0.139 0.000 1.046 96 V CA 1.248 63.391 62.300 -0.261 0.000 1.053 96 V CB -0.317 31.150 31.823 -0.593 0.000 0.679 96 V HN 0.246 nan 8.190 nan 0.000 0.458 97 L N 0.416 121.554 121.223 -0.142 0.000 2.353 97 L HA -0.119 4.221 4.340 -0.000 0.000 0.220 97 L C 2.579 179.384 176.870 -0.108 0.000 1.133 97 L CA 1.119 55.875 54.840 -0.140 0.000 0.798 97 L CB -0.665 41.324 42.059 -0.116 0.000 0.922 97 L HN 0.362 nan 8.230 nan 0.000 0.445 98 A N -1.050 121.708 122.820 -0.105 0.000 2.067 98 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 98 A C 1.964 179.397 177.584 -0.251 0.000 1.158 98 A CA 1.169 53.102 52.037 -0.173 0.000 0.661 98 A CB -0.574 18.297 19.000 -0.215 0.000 0.801 98 A HN 0.453 nan 8.150 nan 0.000 0.452 99 H N -1.176 117.861 119.070 -0.055 0.000 2.551 99 H HA 0.150 4.706 4.556 -0.000 0.000 0.266 99 H C -0.029 175.218 175.328 -0.135 0.000 0.964 99 H CA 0.387 56.406 56.048 -0.048 0.000 1.180 99 H CB 0.081 29.902 29.762 0.097 0.000 1.408 99 H HN 0.194 nan 8.280 nan 0.000 0.563 100 V N 2.245 122.108 119.914 -0.084 0.000 2.415 100 V HA 0.264 4.384 4.120 -0.000 0.000 0.267 100 V C 1.019 176.998 176.094 -0.191 0.000 1.042 100 V CA 0.375 62.567 62.300 -0.180 0.000 1.000 100 V CB -0.004 31.638 31.823 -0.302 0.000 1.015 100 V HN 0.619 nan 8.190 nan 0.000 0.478 101 A N 5.070 127.753 122.820 -0.228 0.000 5.568 101 A HA -0.255 4.065 4.320 -0.000 0.000 0.322 101 A C 0.199 177.561 177.584 -0.370 0.000 1.802 101 A CA 1.864 53.787 52.037 -0.189 0.000 0.727 101 A CB -1.286 17.706 19.000 -0.014 0.000 1.362 101 A HN 1.021 nan 8.150 nan 0.000 0.396 102 H N -2.042 117.023 119.070 -0.007 0.000 2.908 102 H HA 0.592 5.148 4.556 -0.000 0.000 0.350 102 H C 1.021 176.366 175.328 0.028 0.000 1.217 102 H CA 0.006 56.057 56.048 0.005 0.000 1.168 102 H CB 0.778 30.541 29.762 0.002 0.000 1.891 102 H HN 0.841 nan 8.280 nan 0.000 0.566 103 Q N 0.672 120.568 119.800 0.161 0.000 2.047 103 Q HA -0.288 4.052 4.340 -0.000 0.000 0.211 103 Q C 1.837 177.884 176.000 0.079 0.000 1.005 103 Q CA 2.555 58.422 55.803 0.106 0.000 0.866 103 Q CB -0.336 28.448 28.738 0.077 0.000 0.938 103 Q HN 0.742 nan 8.270 nan 0.000 0.414 104 A N 0.041 122.900 122.820 0.065 0.000 1.892 104 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 104 A C 2.287 179.900 177.584 0.048 0.000 1.188 104 A CA 1.916 53.972 52.037 0.032 0.000 0.631 104 A CB -0.947 18.065 19.000 0.020 0.000 0.822 104 A HN 0.363 nan 8.150 nan 0.000 0.447 105 V N -0.086 119.880 119.914 0.085 0.000 2.358 105 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 105 V C 2.570 178.738 176.094 0.124 0.000 1.047 105 V CA 2.117 64.474 62.300 0.095 0.000 1.035 105 V CB -0.792 31.102 31.823 0.118 0.000 0.658 105 V HN 0.513 nan 8.190 nan 0.000 0.452 106 R N 0.134 120.731 120.500 0.162 0.000 2.193 106 R HA -0.109 4.231 4.340 -0.000 0.000 0.229 106 R C 1.858 178.262 176.300 0.173 0.000 1.110 106 R CA 1.386 57.628 56.100 0.237 0.000 0.988 106 R CB -0.445 29.993 30.300 0.230 0.000 0.871 106 R HN 0.656 nan 8.270 nan 0.000 0.458 107 N N -0.035 118.715 118.700 0.083 0.000 2.494 107 N HA -0.047 4.693 4.740 -0.000 0.000 0.182 107 N C 1.411 176.925 175.510 0.007 0.000 1.076 107 N CA 0.449 53.503 53.050 0.006 0.000 0.908 107 N CB 0.252 38.677 38.487 -0.103 0.000 0.967 107 N HN 0.165 nan 8.380 nan 0.000 0.449 108 R N -0.243 120.257 120.500 0.000 0.000 2.276 108 R HA 0.131 4.471 4.340 -0.000 0.000 0.195 108 R C 0.933 177.174 176.300 -0.098 0.000 0.908 108 R CA -0.094 55.991 56.100 -0.025 0.000 1.083 108 R CB 0.271 30.565 30.300 -0.010 0.000 1.182 108 R HN -0.025 nan 8.270 nan 0.000 0.608 109 G N 1.668 110.376 108.800 -0.154 0.000 2.432 109 G HA2 0.150 4.109 3.960 -0.000 0.000 0.239 109 G HA3 0.150 4.109 3.960 -0.000 0.000 0.239 109 G C 0.065 174.521 174.900 -0.740 0.000 1.291 109 G CA 0.156 45.028 45.100 -0.379 0.000 0.863 109 G HN 0.214 nan 8.290 nan 0.000 0.560 110 T N 0.063 114.295 114.554 -0.537 0.000 2.930 110 T HA 0.411 4.761 4.350 -0.000 0.000 0.290 110 T C 1.207 175.797 174.700 -0.184 0.000 1.052 110 T CA -0.772 61.101 62.100 -0.379 0.000 1.017 110 T CB 1.613 70.343 68.868 -0.230 0.000 1.137 110 T HN 0.331 nan 8.240 nan 0.000 0.511 111 L N 2.067 123.248 121.223 -0.070 0.000 2.017 111 L HA 0.216 4.556 4.340 -0.000 0.000 0.208 111 L C 2.527 179.397 176.870 0.001 0.000 1.073 111 L CA 2.679 57.538 54.840 0.031 0.000 0.745 111 L CB -1.347 40.702 42.059 -0.016 0.000 0.894 111 L HN 0.975 nan 8.230 nan 0.000 0.432 112 G N -1.135 107.631 108.800 -0.057 0.000 2.418 112 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 112 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 112 G C 1.499 176.409 174.900 0.016 0.000 1.158 112 G CA 0.612 45.684 45.100 -0.047 0.000 0.771 112 G HN 0.615 nan 8.290 nan 0.000 0.545 113 G N 0.228 109.028 108.800 0.001 0.000 2.402 113 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 113 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 113 G C 2.081 177.059 174.900 0.130 0.000 1.162 113 G CA 1.537 46.660 45.100 0.039 0.000 0.777 113 G HN 0.504 nan 8.290 nan 0.000 0.539 114 S N -0.029 115.764 115.700 0.154 0.000 2.368 114 S HA -0.006 4.464 4.470 -0.000 0.000 0.225 114 S C 2.442 177.188 174.600 0.243 0.000 1.030 114 S CA 1.062 59.406 58.200 0.239 0.000 0.999 114 S CB -0.261 63.105 63.200 0.277 0.000 0.844 114 S HN 0.325 nan 8.310 nan 0.000 0.459 115 L N 0.896 122.233 121.223 0.191 0.000 2.056 115 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 115 L C 2.963 180.081 176.870 0.414 0.000 1.078 115 L CA 1.206 56.195 54.840 0.248 0.000 0.749 115 L CB -0.660 41.438 42.059 0.065 0.000 0.901 115 L HN 0.413 nan 8.230 nan 0.000 0.433 116 A N -0.769 122.250 122.820 0.330 0.000 1.929 116 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 116 A C 2.118 179.844 177.584 0.236 0.000 1.176 116 A CA 1.614 53.834 52.037 0.305 0.000 0.628 116 A CB -0.738 18.392 19.000 0.216 0.000 0.816 116 A HN 0.474 nan 8.150 nan 0.000 0.444 117 H N -0.047 119.112 119.070 0.149 0.000 2.387 117 H HA 0.135 4.691 4.556 -0.000 0.000 0.299 117 H C 1.209 176.673 175.328 0.226 0.000 1.090 117 H CA 1.261 57.396 56.048 0.145 0.000 1.332 117 H CB -0.397 29.456 29.762 0.150 0.000 1.386 117 H HN 0.799 nan 8.280 nan 0.000 0.516 118 A N 0.825 123.751 122.820 0.176 0.000 2.739 118 A HA -0.230 4.090 4.320 -0.000 0.000 0.296 118 A C 0.223 177.791 177.584 -0.027 0.000 1.488 118 A CA 0.836 52.931 52.037 0.097 0.000 0.746 118 A CB -2.304 16.729 19.000 0.055 0.000 1.047 118 A HN 0.698 nan 8.150 nan 0.000 0.477 119 D N -0.107 120.310 120.400 0.028 0.000 2.425 119 D HA 0.431 5.071 4.640 -0.000 0.000 0.247 119 D C 1.308 177.675 176.300 0.112 0.000 1.147 119 D CA 0.670 54.650 54.000 -0.033 0.000 0.879 119 D CB 1.103 42.068 40.800 0.276 0.000 1.179 119 D HN 0.714 nan 8.370 nan 0.000 0.456 120 A N 3.203 126.157 122.820 0.222 0.000 2.172 120 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 120 A C 1.734 179.364 177.584 0.077 0.000 1.154 120 A CA 1.308 53.419 52.037 0.124 0.000 0.701 120 A CB -0.084 18.932 19.000 0.027 0.000 0.789 120 A HN 0.620 nan 8.150 nan 0.000 0.465 121 G N -1.383 107.477 108.800 0.101 0.000 3.126 121 G HA2 0.443 4.403 3.960 -0.000 0.000 0.224 121 G HA3 0.443 4.403 3.960 -0.000 0.000 0.224 121 G C 0.549 175.622 174.900 0.288 0.000 1.142 121 G CA 0.574 45.761 45.100 0.145 0.000 0.759 121 G HN 0.696 nan 8.290 nan 0.000 0.550 122 A N 0.264 123.259 122.820 0.291 0.000 2.371 122 A HA 0.581 4.901 4.320 -0.000 0.000 0.257 122 A C 1.060 178.759 177.584 0.191 0.000 1.089 122 A CA -0.171 52.031 52.037 0.274 0.000 0.794 122 A CB 0.805 19.977 19.000 0.286 0.000 1.029 122 A HN 0.163 nan 8.150 nan 0.000 0.488 123 E N 1.324 121.592 120.200 0.114 0.000 2.046 123 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 123 E C 1.871 178.515 176.600 0.074 0.000 0.982 123 E CA 1.410 57.860 56.400 0.082 0.000 0.800 123 E CB -0.242 29.409 29.700 -0.081 0.000 0.756 123 E HN 0.694 nan 8.360 nan 0.000 0.449 124 M N 0.017 119.628 119.600 0.020 0.000 2.080 124 M HA -0.063 4.417 4.480 -0.000 0.000 0.260 124 M C -0.762 175.558 176.300 0.033 0.000 1.068 124 M CA 1.573 56.872 55.300 -0.002 0.000 1.109 124 M CB -2.028 30.582 32.600 0.017 0.000 1.342 124 M HN 0.004 nan 8.290 nan 0.000 0.405 125 P HA -0.160 nan 4.420 nan 0.000 0.217 125 P C 1.672 179.036 177.300 0.107 0.000 1.150 125 P CA 1.090 64.266 63.100 0.126 0.000 0.832 125 P CB -0.335 31.470 31.700 0.175 0.000 0.787 126 F N 0.232 120.195 119.950 0.021 0.000 2.113 126 F HA -0.136 4.391 4.527 -0.000 0.000 0.297 126 F C 1.919 177.693 175.800 -0.044 0.000 1.103 126 F CA 1.167 59.177 58.000 0.017 0.000 1.248 126 F CB -1.076 37.961 39.000 0.061 0.000 0.999 126 F HN -0.240 nan 8.300 nan 0.000 0.475 127 L N 0.223 121.249 121.223 -0.329 0.000 2.027 127 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 127 L C 2.240 178.843 176.870 -0.445 0.000 1.074 127 L CA 1.750 56.274 54.840 -0.527 0.000 0.745 127 L CB -0.791 41.064 42.059 -0.340 0.000 0.898 127 L HN 0.140 nan 8.230 nan 0.000 0.433 128 M N -0.546 118.893 119.600 -0.269 0.000 2.108 128 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 128 M C 2.428 178.600 176.300 -0.213 0.000 1.066 128 M CA 1.870 57.040 55.300 -0.217 0.000 1.107 128 M CB -1.838 30.674 32.600 -0.146 0.000 1.356 128 M HN 0.439 nan 8.290 nan 0.000 0.406 129 A N -0.266 122.436 122.820 -0.198 0.000 1.877 129 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 129 A C 2.339 179.793 177.584 -0.215 0.000 1.186 129 A CA 2.272 54.216 52.037 -0.155 0.000 0.620 129 A CB -1.160 17.784 19.000 -0.094 0.000 0.822 129 A HN 0.488 nan 8.150 nan 0.000 0.443 130 T N 0.393 114.714 114.554 -0.389 0.000 2.788 130 T HA -0.037 4.313 4.350 -0.000 0.000 0.268 130 T C 1.482 175.974 174.700 -0.348 0.000 1.044 130 T CA 1.302 63.153 62.100 -0.415 0.000 1.139 130 T CB -0.304 68.099 68.868 -0.774 0.000 0.867 130 T HN 0.350 nan 8.240 nan 0.000 0.454 131 L N 0.516 121.490 121.223 -0.415 0.000 2.591 131 L HA 0.256 4.596 4.340 -0.000 0.000 0.228 131 L C 1.612 178.402 176.870 -0.132 0.000 1.133 131 L CA 0.021 54.669 54.840 -0.321 0.000 0.880 131 L CB -0.577 41.247 42.059 -0.392 0.000 1.033 131 L HN 0.424 nan 8.230 nan 0.000 0.450 132 G N 1.065 109.797 108.800 -0.113 0.000 2.295 132 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.287 132 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.287 132 G C 0.377 175.239 174.900 -0.063 0.000 1.055 132 G CA 0.230 45.293 45.100 -0.061 0.000 0.922 132 G HN 0.508 nan 8.290 nan 0.000 0.503 133 A N -0.617 122.148 122.820 -0.092 0.000 2.296 133 A HA 0.851 5.171 4.320 -0.000 0.000 0.264 133 A C 0.696 178.233 177.584 -0.078 0.000 1.097 133 A CA 0.744 52.733 52.037 -0.080 0.000 0.811 133 A CB 0.795 19.731 19.000 -0.107 0.000 1.072 133 A HN 0.857 nan 8.150 nan 0.000 0.495 134 T N 1.269 115.787 114.554 -0.060 0.000 2.824 134 T HA 0.539 4.889 4.350 -0.000 0.000 0.282 134 T C -0.560 174.038 174.700 -0.170 0.000 0.993 134 T CA -0.175 61.849 62.100 -0.127 0.000 0.967 134 T CB 1.002 69.804 68.868 -0.110 0.000 0.960 134 T HN 0.494 nan 8.240 nan 0.000 0.441 135 M N 2.892 122.311 119.600 -0.302 0.000 2.264 135 M HA 0.468 4.948 4.480 -0.000 0.000 0.352 135 M C -1.308 174.747 176.300 -0.409 0.000 1.173 135 M CA -0.452 54.662 55.300 -0.310 0.000 1.075 135 M CB 0.784 33.084 32.600 -0.499 0.000 1.621 135 M HN 0.503 nan 8.290 nan 0.000 0.457 136 Y N 3.774 124.007 120.300 -0.112 0.000 2.334 136 Y HA 0.614 5.164 4.550 -0.000 0.000 0.336 136 Y C -0.473 175.400 175.900 -0.045 0.000 0.960 136 Y CA -0.513 57.551 58.100 -0.059 0.000 1.164 136 Y CB 0.789 39.218 38.460 -0.052 0.000 1.155 136 Y HN 0.502 nan 8.280 nan 0.000 0.478 137 I N 3.416 124.019 120.570 0.056 0.000 2.378 137 I HA 0.661 4.831 4.170 -0.000 0.000 0.291 137 I C -0.145 176.011 176.117 0.065 0.000 0.992 137 I CA -0.893 60.445 61.300 0.063 0.000 1.154 137 I CB 1.553 39.600 38.000 0.078 0.000 1.315 137 I HN 0.642 nan 8.210 nan 0.000 0.448 138 A N 4.844 127.698 122.820 0.058 0.000 2.303 138 A HA 0.874 5.194 4.320 -0.000 0.000 0.317 138 A C -0.088 177.519 177.584 0.037 0.000 1.149 138 A CA -0.271 51.794 52.037 0.046 0.000 0.822 138 A CB 1.043 20.066 19.000 0.038 0.000 1.131 138 A HN 0.785 nan 8.150 nan 0.000 0.493 139 S N -0.192 115.527 115.700 0.031 0.000 2.705 139 S HA 0.494 4.964 4.470 -0.000 0.000 0.280 139 S C 0.906 175.518 174.600 0.020 0.000 1.174 139 S CA 0.301 58.516 58.200 0.025 0.000 0.823 139 S CB 0.853 64.068 63.200 0.025 0.000 1.162 139 S HN 1.269 nan 8.310 nan 0.000 0.487 140 S N 0.266 115.976 115.700 0.017 0.000 2.383 140 S HA -0.095 4.375 4.470 -0.000 0.000 0.229 140 S C 1.876 176.485 174.600 0.014 0.000 1.030 140 S CA 1.649 59.857 58.200 0.014 0.000 1.002 140 S CB -1.151 62.056 63.200 0.011 0.000 0.829 140 S HN 1.158 nan 8.310 nan 0.000 0.467 141 A N -0.061 122.769 122.820 0.016 0.000 2.119 141 A HA 0.532 4.852 4.320 -0.000 0.000 0.216 141 A C 1.302 178.897 177.584 0.018 0.000 1.152 141 A CA 1.112 53.158 52.037 0.016 0.000 0.708 141 A CB -0.787 18.222 19.000 0.015 0.000 0.805 141 A HN 1.191 nan 8.150 nan 0.000 0.460 142 G N -2.571 106.242 108.800 0.022 0.000 2.278 142 G HA2 0.264 4.224 3.960 -0.000 0.000 0.265 142 G HA3 0.264 4.224 3.960 -0.000 0.000 0.265 142 G C -1.187 173.735 174.900 0.037 0.000 1.329 142 G CA -0.249 44.867 45.100 0.027 0.000 1.017 142 G HN 0.636 nan 8.290 nan 0.000 0.472 143 V N 1.752 121.695 119.914 0.048 0.000 2.417 143 V HA 0.749 4.869 4.120 -0.000 0.000 0.291 143 V C 0.537 176.675 176.094 0.073 0.000 1.024 143 V CA -0.382 61.962 62.300 0.072 0.000 0.861 143 V CB 1.277 33.161 31.823 0.102 0.000 0.985 143 V HN 1.042 nan 8.190 nan 0.000 0.436 144 R N 2.743 123.273 120.500 0.050 0.000 2.832 144 R HA 0.879 5.219 4.340 -0.000 0.000 0.271 144 R C -0.555 175.697 176.300 -0.081 0.000 0.996 144 R CA -0.555 55.548 56.100 0.005 0.000 0.977 144 R CB 2.073 32.372 30.300 -0.002 0.000 1.168 144 R HN 0.646 nan 8.270 nan 0.000 0.482 145 S N 0.349 115.943 115.700 -0.176 0.000 2.566 145 S HA 0.698 5.168 4.470 -0.000 0.000 0.298 145 S C -0.767 173.687 174.600 -0.243 0.000 1.083 145 S CA -0.753 57.195 58.200 -0.419 0.000 0.978 145 S CB 2.109 64.908 63.200 -0.669 0.000 1.073 145 S HN 0.610 nan 8.310 nan 0.000 0.491 146 V N 1.527 121.292 119.914 -0.247 0.000 3.048 146 V HA 0.699 4.819 4.120 -0.000 0.000 0.303 146 V C -0.149 175.877 176.094 -0.114 0.000 1.214 146 V CA -0.215 62.018 62.300 -0.112 0.000 0.984 146 V CB 2.190 34.012 31.823 -0.002 0.000 1.054 146 V HN 1.461 nan 8.190 nan 0.000 0.430 147 S N 4.867 120.526 115.700 -0.069 0.000 2.579 147 S HA 0.502 4.972 4.470 -0.000 0.000 0.275 147 S C 1.400 175.989 174.600 -0.019 0.000 1.345 147 S CA 0.338 58.503 58.200 -0.059 0.000 1.031 147 S CB 1.515 64.691 63.200 -0.040 0.000 0.892 147 S HN 1.943 nan 8.310 nan 0.000 0.529 148 A N 2.403 125.197 122.820 -0.042 0.000 1.940 148 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 148 A C 2.258 179.869 177.584 0.046 0.000 1.176 148 A CA 2.059 54.088 52.037 -0.014 0.000 0.631 148 A CB -1.812 17.142 19.000 -0.076 0.000 0.814 148 A HN 0.910 nan 8.150 nan 0.000 0.446 149 T N 0.086 114.643 114.554 0.004 0.000 2.746 149 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 149 T C 1.463 176.166 174.700 0.005 0.000 1.039 149 T CA 1.548 63.651 62.100 0.004 0.000 1.142 149 T CB -0.346 68.515 68.868 -0.011 0.000 0.866 149 T HN 0.454 nan 8.240 nan 0.000 0.444 150 D N 0.134 120.536 120.400 0.003 0.000 2.224 150 D HA 0.037 4.677 4.640 -0.000 0.000 0.205 150 D C 1.656 177.933 176.300 -0.039 0.000 0.965 150 D CA 0.362 54.344 54.000 -0.030 0.000 0.852 150 D CB -0.308 40.475 40.800 -0.028 0.000 0.947 150 D HN 0.301 nan 8.370 nan 0.000 0.494 151 F N 1.031 120.915 119.950 -0.110 0.000 2.102 151 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 151 F C 1.067 176.794 175.800 -0.122 0.000 1.105 151 F CA 0.702 58.637 58.000 -0.108 0.000 1.239 151 F CB -0.042 38.908 39.000 -0.082 0.000 0.991 151 F HN -0.167 nan 8.300 nan 0.000 0.474 152 M N 1.752 121.357 119.600 0.009 0.000 2.319 152 M HA 0.160 4.640 4.480 -0.000 0.000 0.343 152 M C 0.373 176.581 176.300 -0.154 0.000 1.364 152 M CA 0.387 55.650 55.300 -0.063 0.000 1.292 152 M CB 0.204 32.854 32.600 0.084 0.000 1.432 152 M HN 0.058 nan 8.290 nan 0.000 0.448 153 K N 2.439 122.634 120.400 -0.341 0.000 2.356 153 K HA 0.465 4.785 4.320 -0.000 0.000 0.195 153 K C 0.711 177.216 176.600 -0.158 0.000 1.037 153 K CA 0.343 56.370 56.287 -0.434 0.000 1.014 153 K CB 0.394 32.206 32.500 -1.147 0.000 0.815 153 K HN 0.869 nan 8.250 nan 0.000 0.507 154 G N 0.056 108.852 108.800 -0.007 0.000 2.317 154 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.293 154 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.293 154 G C -1.871 173.115 174.900 0.144 0.000 1.287 154 G CA -1.012 44.175 45.100 0.146 0.000 0.850 154 G HN 0.169 nan 8.290 nan 0.000 0.515 155 H N 0.100 119.154 119.070 -0.027 0.000 3.091 155 H HA 0.318 4.873 4.556 -0.000 0.000 0.289 155 H C 0.387 175.623 175.328 -0.154 0.000 0.995 155 H CA 1.103 57.007 56.048 -0.239 0.000 1.461 155 H CB -0.523 29.039 29.762 -0.333 0.000 1.510 155 H HN 0.689 nan 8.280 nan 0.000 0.546 156 Y N 1.783 121.891 120.300 -0.320 0.000 3.825 156 Y HA -0.276 4.274 4.550 -0.000 0.000 0.221 156 Y C -0.451 175.432 175.900 -0.028 0.000 1.195 156 Y CA 0.879 58.801 58.100 -0.296 0.000 1.699 156 Y CB -2.610 35.609 38.460 -0.402 0.000 1.531 156 Y HN 0.625 nan 8.280 nan 0.000 0.640 157 F N 1.011 120.927 119.950 -0.057 0.000 2.612 157 F HA 0.567 5.094 4.527 -0.000 0.000 0.332 157 F C 0.167 175.873 175.800 -0.158 0.000 1.167 157 F CA -0.168 57.785 58.000 -0.079 0.000 0.970 157 F CB 1.172 40.142 39.000 -0.050 0.000 1.234 157 F HN 0.061 nan 8.300 nan 0.000 0.453 158 T N 0.212 114.698 114.554 -0.114 0.000 2.888 158 T HA 0.233 4.583 4.350 -0.000 0.000 0.288 158 T C 0.131 174.497 174.700 -0.558 0.000 1.063 158 T CA -0.564 61.187 62.100 -0.582 0.000 1.010 158 T CB 1.726 70.086 68.868 -0.847 0.000 1.214 158 T HN 0.481 nan 8.240 nan 0.000 0.533 159 D N -0.739 119.244 120.400 -0.695 0.000 2.363 159 D HA 0.085 4.725 4.640 -0.000 0.000 0.226 159 D C 0.413 176.592 176.300 -0.203 0.000 1.020 159 D CA -0.160 53.620 54.000 -0.366 0.000 0.892 159 D CB -0.328 40.328 40.800 -0.241 0.000 0.900 159 D HN 0.301 nan 8.370 nan 0.000 0.531 160 L N 1.886 122.959 121.223 -0.250 0.000 2.513 160 L HA 0.098 4.438 4.340 -0.000 0.000 0.272 160 L C 0.502 177.365 176.870 -0.011 0.000 1.187 160 L CA 0.568 55.378 54.840 -0.051 0.000 0.895 160 L CB 0.506 42.554 42.059 -0.017 0.000 1.147 160 L HN -0.016 nan 8.230 nan 0.000 0.483 161 E N 2.606 122.816 120.200 0.016 0.000 2.254 161 E HA 0.490 4.840 4.350 -0.000 0.000 0.261 161 E C -0.386 176.229 176.600 0.024 0.000 1.051 161 E CA -0.781 55.632 56.400 0.021 0.000 0.902 161 E CB 1.102 30.814 29.700 0.020 0.000 1.168 161 E HN 0.642 nan 8.360 nan 0.000 0.423 162 A N 0.094 122.926 122.820 0.021 0.000 2.567 162 A HA 0.351 4.671 4.320 -0.000 0.000 0.240 162 A C 1.214 178.809 177.584 0.017 0.000 1.053 162 A CA 1.085 53.133 52.037 0.017 0.000 0.755 162 A CB -0.743 18.266 19.000 0.014 0.000 0.978 162 A HN 0.791 nan 8.150 nan 0.000 0.507 163 G N 1.684 110.494 108.800 0.015 0.000 2.179 163 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 163 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 163 G C 0.071 174.982 174.900 0.020 0.000 0.977 163 G CA 0.606 45.715 45.100 0.014 0.000 0.641 163 G HN 0.891 nan 8.290 nan 0.000 0.533 164 E N -0.487 119.730 120.200 0.029 0.000 2.319 164 E HA 0.545 4.895 4.350 -0.000 0.000 0.268 164 E C -0.327 176.301 176.600 0.046 0.000 1.050 164 E CA -0.500 55.924 56.400 0.040 0.000 0.878 164 E CB 2.096 31.827 29.700 0.053 0.000 1.066 164 E HN 0.132 nan 8.360 nan 0.000 0.406 165 V N 3.175 123.117 119.914 0.046 0.000 2.483 165 V HA 0.175 4.295 4.120 -0.000 0.000 0.297 165 V C -0.167 175.956 176.094 0.048 0.000 1.027 165 V CA -0.720 61.605 62.300 0.041 0.000 0.855 165 V CB 1.568 33.404 31.823 0.021 0.000 0.995 165 V HN 0.586 nan 8.190 nan 0.000 0.424 166 L N 4.935 126.189 121.223 0.052 0.000 2.418 166 L HA 0.214 4.554 4.340 -0.000 0.000 0.274 166 L C 0.855 177.721 176.870 -0.007 0.000 1.135 166 L CA 0.357 55.209 54.840 0.020 0.000 0.870 166 L CB 1.406 43.461 42.059 -0.006 0.000 1.154 166 L HN 0.591 nan 8.230 nan 0.000 0.462 167 V N 5.149 125.066 119.914 0.005 0.000 2.581 167 V HA 0.115 4.235 4.120 -0.000 0.000 0.240 167 V C 0.615 176.693 176.094 -0.027 0.000 1.054 167 V CA 0.836 63.134 62.300 -0.003 0.000 1.076 167 V CB -0.074 31.763 31.823 0.024 0.000 0.748 167 V HN 0.950 nan 8.190 nan 0.000 0.474 168 R N -1.399 119.099 120.500 -0.003 0.000 2.728 168 R HA 0.684 5.024 4.340 -0.000 0.000 0.274 168 R C -2.156 174.154 176.300 0.016 0.000 1.030 168 R CA -0.710 55.375 56.100 -0.025 0.000 0.876 168 R CB 2.013 32.281 30.300 -0.053 0.000 1.259 168 R HN -0.158 nan 8.270 nan 0.000 0.468 169 V N 0.819 120.721 119.914 -0.019 0.000 2.540 169 V HA 0.402 4.522 4.120 -0.000 0.000 0.302 169 V C -0.624 175.476 176.094 0.010 0.000 1.035 169 V CA -0.726 61.565 62.300 -0.015 0.000 0.873 169 V CB 1.790 33.557 31.823 -0.092 0.000 0.992 169 V HN 0.710 nan 8.190 nan 0.000 0.428 170 E N 4.740 124.986 120.200 0.077 0.000 2.129 170 E HA 0.549 4.899 4.350 -0.000 0.000 0.268 170 E C -1.165 175.444 176.600 0.014 0.000 0.900 170 E CA -0.417 56.013 56.400 0.051 0.000 0.755 170 E CB 2.194 31.973 29.700 0.130 0.000 1.117 170 E HN 0.548 nan 8.360 nan 0.000 0.410 171 I N 4.776 125.332 120.570 -0.023 0.000 2.339 171 I HA 0.275 4.445 4.170 -0.000 0.000 0.290 171 I C -2.322 173.780 176.117 -0.025 0.000 0.994 171 I CA -2.507 58.767 61.300 -0.043 0.000 1.191 171 I CB 1.301 39.256 38.000 -0.075 0.000 1.343 171 I HN 0.156 nan 8.210 nan 0.000 0.458 172 P HA 0.161 nan 4.420 nan 0.000 0.271 172 P C -0.181 177.125 177.300 0.011 0.000 1.220 172 P CA -0.109 62.994 63.100 0.005 0.000 0.768 172 P CB 0.435 32.144 31.700 0.016 0.000 0.848 173 I N 6.127 126.706 120.570 0.016 0.000 2.671 173 I HA 0.008 4.178 4.170 -0.000 0.000 0.285 173 I C -1.248 174.904 176.117 0.059 0.000 1.148 173 I CA -1.311 60.005 61.300 0.027 0.000 1.386 173 I CB -0.215 37.798 38.000 0.022 0.000 1.406 173 I HN 0.229 nan 8.210 nan 0.000 0.540 174 P HA 0.028 nan 4.420 nan 0.000 0.268 174 P C 0.076 177.454 177.300 0.130 0.000 1.205 174 P CA -0.151 63.055 63.100 0.177 0.000 0.771 174 P CB 1.408 33.319 31.700 0.351 0.000 0.858 175 A N 3.826 126.708 122.820 0.102 0.000 1.997 175 A HA 0.135 4.455 4.320 -0.000 0.000 0.212 175 A C 1.299 178.900 177.584 0.027 0.000 1.178 175 A CA 0.265 52.335 52.037 0.055 0.000 0.698 175 A CB -0.484 18.536 19.000 0.034 0.000 0.842 175 A HN 0.511 nan 8.150 nan 0.000 0.458 176 L N 0.529 121.743 121.223 -0.016 0.000 2.452 176 L HA 0.147 4.487 4.340 -0.000 0.000 0.267 176 L C 0.686 177.454 176.870 -0.170 0.000 1.188 176 L CA -0.423 54.308 54.840 -0.181 0.000 0.821 176 L CB 0.298 42.076 42.059 -0.468 0.000 1.102 176 L HN 0.412 nan 8.230 nan 0.000 0.470 177 H N 1.442 120.365 119.070 -0.246 0.000 2.594 177 H HA 0.169 4.725 4.556 -0.000 0.000 0.304 177 H C -1.426 173.795 175.328 -0.179 0.000 1.068 177 H CA -0.611 55.373 56.048 -0.107 0.000 1.308 177 H CB 0.497 30.233 29.762 -0.043 0.000 1.409 177 H HN 0.427 nan 8.280 nan 0.000 0.460 178 W N 4.139 125.208 121.300 -0.384 0.000 2.512 178 W HA 0.347 5.007 4.660 -0.000 0.000 0.335 178 W C -0.085 176.321 176.519 -0.188 0.000 1.088 178 W CA -0.548 56.685 57.345 -0.187 0.000 1.236 178 W CB 1.243 30.646 29.460 -0.095 0.000 1.307 178 W HN 0.484 nan 8.180 nan 0.000 0.567 179 E N 2.109 122.509 120.200 0.334 0.000 2.356 179 E HA 0.410 4.760 4.350 -0.000 0.000 0.275 179 E C -1.846 174.985 176.600 0.386 0.000 0.904 179 E CA -1.095 55.476 56.400 0.285 0.000 0.757 179 E CB 2.909 32.748 29.700 0.232 0.000 1.232 179 E HN 0.350 nan 8.360 nan 0.000 0.442 180 F N 1.277 121.327 119.950 0.166 0.000 2.599 180 F HA 0.613 5.140 4.527 -0.000 0.000 0.311 180 F C -1.268 174.571 175.800 0.065 0.000 1.076 180 F CA -0.432 57.650 58.000 0.137 0.000 0.937 180 F CB 1.939 41.013 39.000 0.123 0.000 1.282 180 F HN 0.315 nan 8.300 nan 0.000 0.460 181 D N 1.765 121.516 120.400 -1.083 0.000 2.653 181 D HA 0.360 5.000 4.640 -0.000 0.000 0.258 181 D C -1.890 173.744 176.300 -1.109 0.000 1.252 181 D CA -0.099 53.407 54.000 -0.823 0.000 0.777 181 D CB 2.202 42.824 40.800 -0.296 0.000 1.339 181 D HN 0.789 nan 8.370 nan 0.000 0.422 182 E N -0.288 119.518 120.200 -0.656 0.000 2.437 182 E HA 0.399 4.749 4.350 -0.000 0.000 0.280 182 E C -1.727 174.797 176.600 -0.127 0.000 1.044 182 E CA -0.940 55.211 56.400 -0.414 0.000 0.826 182 E CB 1.617 31.082 29.700 -0.392 0.000 1.358 182 E HN 0.314 nan 8.360 nan 0.000 0.459 183 Y N 0.864 121.069 120.300 -0.159 0.000 2.328 183 Y HA 0.699 5.249 4.550 -0.000 0.000 0.333 183 Y C -1.336 174.538 175.900 -0.042 0.000 0.958 183 Y CA -0.279 57.773 58.100 -0.081 0.000 1.167 183 Y CB 1.602 40.021 38.460 -0.070 0.000 1.151 183 Y HN 0.812 nan 8.280 nan 0.000 0.470 184 A N 5.897 128.508 122.820 -0.347 0.000 2.449 184 A HA 0.530 4.850 4.320 -0.000 0.000 0.302 184 A C 0.334 177.711 177.584 -0.345 0.000 1.048 184 A CA -0.924 50.984 52.037 -0.216 0.000 0.708 184 A CB 1.390 20.340 19.000 -0.084 0.000 1.274 184 A HN 0.798 nan 8.150 nan 0.000 0.410 185 R N -0.003 120.380 120.500 -0.195 0.000 2.134 185 R HA -0.142 4.198 4.340 -0.000 0.000 0.248 185 R C -0.113 176.112 176.300 -0.125 0.000 1.143 185 R CA 1.550 57.566 56.100 -0.141 0.000 0.957 185 R CB -0.511 29.774 30.300 -0.024 0.000 0.867 185 R HN 0.666 nan 8.270 nan 0.000 0.441 186 R N -0.126 120.329 120.500 -0.075 0.000 2.673 186 R HA 0.253 4.593 4.340 -0.000 0.000 0.281 186 R C -0.855 175.425 176.300 -0.033 0.000 0.991 186 R CA -0.679 55.399 56.100 -0.038 0.000 0.896 186 R CB 1.720 32.031 30.300 0.018 0.000 1.201 186 R HN -0.061 nan 8.270 nan 0.000 0.457 187 K N 0.898 121.281 120.400 -0.028 0.000 2.491 187 K HA 0.176 4.496 4.320 -0.000 0.000 0.279 187 K C 0.535 177.085 176.600 -0.083 0.000 1.026 187 K CA 1.687 57.959 56.287 -0.024 0.000 1.070 187 K CB 0.019 32.503 32.500 -0.026 0.000 0.887 187 K HN 0.754 nan 8.250 nan 0.000 0.481 188 G N 3.224 111.952 108.800 -0.119 0.000 2.278 188 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.210 188 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.210 188 G C -0.394 174.400 174.900 -0.176 0.000 1.000 188 G CA -0.033 44.884 45.100 -0.306 0.000 0.635 188 G HN 0.691 nan 8.290 nan 0.000 0.495 189 D N 0.165 120.529 120.400 -0.062 0.000 2.362 189 D HA 0.461 5.101 4.640 -0.000 0.000 0.242 189 D C 0.376 176.654 176.300 -0.036 0.000 1.132 189 D CA -0.090 53.900 54.000 -0.016 0.000 0.907 189 D CB 0.206 41.008 40.800 0.004 0.000 1.195 189 D HN 0.184 nan 8.370 nan 0.000 0.429 190 Y N 0.820 121.121 120.300 0.002 0.000 2.721 190 Y HA 0.193 4.742 4.550 -0.000 0.000 0.329 190 Y C 0.912 176.803 175.900 -0.015 0.000 1.211 190 Y CA -0.214 57.890 58.100 0.007 0.000 1.512 190 Y CB 0.095 38.559 38.460 0.008 0.000 1.249 190 Y HN 0.297 nan 8.280 nan 0.000 0.549 191 A N 5.164 128.076 122.820 0.154 0.000 2.462 191 A HA 0.201 4.521 4.320 -0.000 0.000 0.243 191 A C 0.913 178.552 177.584 0.091 0.000 1.076 191 A CA -0.365 51.723 52.037 0.085 0.000 0.773 191 A CB 0.257 19.279 19.000 0.037 0.000 1.010 191 A HN 1.026 nan 8.150 nan 0.000 0.493 192 L N 1.718 123.009 121.223 0.112 0.000 2.179 192 L HA 0.078 4.418 4.340 -0.000 0.000 0.208 192 L C 0.282 177.168 176.870 0.027 0.000 1.096 192 L CA 0.953 55.849 54.840 0.094 0.000 0.779 192 L CB -0.268 41.895 42.059 0.173 0.000 0.922 192 L HN 0.721 nan 8.230 nan 0.000 0.443 193 V N -2.502 117.423 119.914 0.018 0.000 2.969 193 V HA 0.518 4.638 4.120 -0.000 0.000 0.304 193 V C -0.753 175.259 176.094 -0.136 0.000 1.192 193 V CA -0.995 61.264 62.300 -0.069 0.000 0.962 193 V CB 1.836 33.610 31.823 -0.082 0.000 1.045 193 V HN 0.216 nan 8.190 nan 0.000 0.428 194 M N 2.991 122.438 119.600 -0.255 0.000 2.619 194 M HA 1.089 5.569 4.480 -0.000 0.000 0.297 194 M C -0.657 175.363 176.300 -0.466 0.000 1.229 194 M CA -0.682 54.365 55.300 -0.422 0.000 0.860 194 M CB 2.406 34.787 32.600 -0.365 0.000 1.741 194 M HN 1.536 nan 8.290 nan 0.000 0.462 195 A N 1.194 123.735 122.820 -0.466 0.000 2.574 195 A HA 0.991 5.311 4.320 -0.000 0.000 0.297 195 A C -1.677 175.962 177.584 0.092 0.000 1.062 195 A CA -0.410 51.554 52.037 -0.122 0.000 0.686 195 A CB 1.752 20.710 19.000 -0.071 0.000 1.285 195 A HN 1.434 nan 8.150 nan 0.000 0.403 196 A N 0.183 123.282 122.820 0.465 0.000 2.435 196 A HA 0.952 5.271 4.320 -0.000 0.000 0.304 196 A C -0.376 177.529 177.584 0.536 0.000 1.064 196 A CA -0.022 52.369 52.037 0.590 0.000 0.727 196 A CB 1.561 20.970 19.000 0.681 0.000 1.284 196 A HN 2.519 nan 8.150 nan 0.000 0.415 197 A N 0.978 124.093 122.820 0.492 0.000 2.385 197 A HA 0.736 5.056 4.320 -0.000 0.000 0.290 197 A C 0.006 177.518 177.584 -0.121 0.000 1.094 197 A CA 0.083 52.238 52.037 0.198 0.000 0.729 197 A CB 1.041 20.110 19.000 0.114 0.000 1.194 197 A HN 1.900 nan 8.150 nan 0.000 0.442 198 G N 1.825 110.120 108.800 -0.842 0.000 2.422 198 G HA2 0.588 4.548 3.960 -0.000 0.000 0.317 198 G HA3 0.588 4.548 3.960 -0.000 0.000 0.317 198 G C -0.758 173.723 174.900 -0.699 0.000 1.210 198 G CA -0.353 43.794 45.100 -1.589 0.000 0.930 198 G HN 0.658 nan 8.290 nan 0.000 0.468 199 L N 1.205 122.182 121.223 -0.411 0.000 2.354 199 L HA 0.697 5.037 4.340 -0.000 0.000 0.264 199 L C 0.007 176.791 176.870 -0.142 0.000 1.008 199 L CA -1.067 53.648 54.840 -0.209 0.000 0.819 199 L CB 2.582 44.577 42.059 -0.108 0.000 1.339 199 L HN 0.513 nan 8.230 nan 0.000 0.420 200 S N 2.942 118.576 115.700 -0.109 0.000 2.596 200 S HA 0.706 5.176 4.470 -0.000 0.000 0.318 200 S C -0.721 173.842 174.600 -0.060 0.000 1.097 200 S CA -0.717 57.440 58.200 -0.071 0.000 1.080 200 S CB 0.662 63.822 63.200 -0.066 0.000 0.991 200 S HN 0.434 nan 8.310 nan 0.000 0.471 201 M N 3.960 123.530 119.600 -0.051 0.000 2.243 201 M HA 0.414 4.894 4.480 -0.000 0.000 0.324 201 M C -0.670 175.608 176.300 -0.037 0.000 1.031 201 M CA -0.449 54.822 55.300 -0.049 0.000 0.949 201 M CB 1.189 33.757 32.600 -0.055 0.000 1.615 201 M HN 0.684 nan 8.290 nan 0.000 0.430 202 Q N 1.451 121.230 119.800 -0.035 0.000 2.508 202 Q HA 0.568 4.908 4.340 -0.000 0.000 0.247 202 Q C 0.348 176.332 176.000 -0.027 0.000 1.047 202 Q CA 0.522 56.309 55.803 -0.028 0.000 0.783 202 Q CB 0.951 29.673 28.738 -0.027 0.000 1.172 202 Q HN 1.015 nan 8.270 nan 0.000 0.515 203 G N 1.475 110.261 108.800 -0.023 0.000 2.503 203 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.235 203 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.235 203 G C 0.332 175.217 174.900 -0.025 0.000 1.179 203 G CA -0.353 44.735 45.100 -0.021 0.000 0.944 203 G HN 0.801 nan 8.290 nan 0.000 0.580 204 G N 0.080 108.864 108.800 -0.027 0.000 3.605 204 G HA2 0.506 4.466 3.960 -0.000 0.000 0.277 204 G HA3 0.506 4.466 3.960 -0.000 0.000 0.277 204 G C 0.465 175.341 174.900 -0.039 0.000 1.093 204 G CA 0.893 45.975 45.100 -0.031 0.000 0.821 204 G HN 0.582 nan 8.290 nan 0.000 0.532 205 R N -0.257 120.217 120.500 -0.042 0.000 2.562 205 R HA 0.465 4.805 4.340 -0.000 0.000 0.298 205 R C -0.730 175.536 176.300 -0.057 0.000 0.961 205 R CA -0.649 55.420 56.100 -0.052 0.000 0.881 205 R CB 1.487 31.758 30.300 -0.049 0.000 1.159 205 R HN 0.090 nan 8.270 nan 0.000 0.450 206 C N 5.230 124.489 119.300 -0.068 0.000 2.585 206 C HA 0.256 4.716 4.460 -0.000 0.000 0.406 206 C C 1.655 176.603 174.990 -0.070 0.000 1.312 206 C CA -0.276 58.699 59.018 -0.071 0.000 1.924 206 C CB -0.238 27.454 27.740 -0.079 0.000 2.578 206 C HN 0.743 nan 8.230 nan 0.000 0.580 207 V N 3.454 123.330 119.914 -0.062 0.000 3.570 207 V HA 0.574 4.694 4.120 -0.000 0.000 0.257 207 V C 0.645 176.706 176.094 -0.054 0.000 1.272 207 V CA 0.845 63.112 62.300 -0.054 0.000 1.079 207 V CB -0.664 31.133 31.823 -0.044 0.000 0.829 207 V HN 1.243 nan 8.190 nan 0.000 0.454 208 A N -0.147 122.635 122.820 -0.063 0.000 2.547 208 A HA 0.966 5.286 4.320 -0.000 0.000 0.297 208 A C -0.680 176.849 177.584 -0.091 0.000 1.056 208 A CA 0.067 52.064 52.037 -0.066 0.000 0.688 208 A CB 1.630 20.593 19.000 -0.062 0.000 1.282 208 A HN 1.646 nan 8.150 nan 0.000 0.400 209 A N 1.853 124.623 122.820 -0.083 0.000 2.520 209 A HA 0.887 5.207 4.320 -0.000 0.000 0.298 209 A C -1.096 176.437 177.584 -0.086 0.000 1.051 209 A CA -0.688 51.287 52.037 -0.103 0.000 0.690 209 A CB 1.459 20.424 19.000 -0.058 0.000 1.281 209 A HN 0.643 nan 8.150 nan 0.000 0.402 210 R N 2.206 122.623 120.500 -0.138 0.000 2.507 210 R HA 0.406 4.746 4.340 -0.000 0.000 0.298 210 R C -1.398 174.925 176.300 0.038 0.000 1.087 210 R CA -0.504 55.576 56.100 -0.033 0.000 0.917 210 R CB 1.114 31.424 30.300 0.016 0.000 1.173 210 R HN 0.616 nan 8.270 nan 0.000 0.472 211 I N 1.984 122.608 120.570 0.090 0.000 2.354 211 I HA 0.603 4.773 4.170 -0.000 0.000 0.292 211 I C 0.239 176.465 176.117 0.180 0.000 0.989 211 I CA -1.007 60.381 61.300 0.147 0.000 1.188 211 I CB 1.462 39.523 38.000 0.101 0.000 1.342 211 I HN 0.498 nan 8.210 nan 0.000 0.457 212 A N 6.880 129.878 122.820 0.298 0.000 2.449 212 A HA 0.868 5.188 4.320 -0.000 0.000 0.302 212 A C -1.393 176.480 177.584 0.482 0.000 1.048 212 A CA -0.450 51.800 52.037 0.357 0.000 0.708 212 A CB 1.626 20.824 19.000 0.331 0.000 1.274 212 A HN 0.480 nan 8.150 nan 0.000 0.410 213 L N 1.326 122.794 121.223 0.408 0.000 2.346 213 L HA 0.791 5.131 4.340 -0.000 0.000 0.276 213 L C 0.689 177.595 176.870 0.059 0.000 1.006 213 L CA 0.141 55.081 54.840 0.167 0.000 0.817 213 L CB 2.084 44.235 42.059 0.153 0.000 1.272 213 L HN 0.937 nan 8.230 nan 0.000 0.421 214 G N 0.616 109.137 108.800 -0.466 0.000 2.630 214 G HA2 0.615 4.575 3.960 -0.000 0.000 0.296 214 G HA3 0.615 4.575 3.960 -0.000 0.000 0.296 214 G C 0.180 174.939 174.900 -0.235 0.000 1.285 214 G CA -0.060 44.787 45.100 -0.420 0.000 0.958 214 G HN 1.048 nan 8.290 nan 0.000 0.479 215 A N -1.272 121.491 122.820 -0.096 0.000 3.413 215 A HA -0.207 4.113 4.320 -0.000 0.000 0.268 215 A C 1.784 179.329 177.584 -0.065 0.000 1.128 215 A CA 2.078 54.079 52.037 -0.061 0.000 1.062 215 A CB -1.897 17.072 19.000 -0.052 0.000 1.121 215 A HN 1.353 nan 8.150 nan 0.000 0.895 216 V N -0.793 119.083 119.914 -0.063 0.000 2.500 216 V HA 0.087 4.207 4.120 -0.000 0.000 0.243 216 V C 1.168 177.226 176.094 -0.060 0.000 1.039 216 V CA 1.879 64.141 62.300 -0.064 0.000 1.053 216 V CB -0.149 31.634 31.823 -0.066 0.000 0.695 216 V HN 0.661 nan 8.190 nan 0.000 0.463 217 E N -0.779 119.400 120.200 -0.035 0.000 2.355 217 E HA 0.297 4.647 4.350 -0.000 0.000 0.261 217 E C 0.311 176.905 176.600 -0.011 0.000 0.943 217 E CA -0.570 55.813 56.400 -0.029 0.000 0.806 217 E CB 1.535 31.225 29.700 -0.017 0.000 1.286 217 E HN 0.118 nan 8.360 nan 0.000 0.424 218 E N 0.329 120.526 120.200 -0.006 0.000 2.333 218 E HA -0.134 4.216 4.350 -0.000 0.000 0.198 218 E C -0.087 176.547 176.600 0.057 0.000 1.007 218 E CA 1.085 57.493 56.400 0.014 0.000 0.845 218 E CB 0.226 29.947 29.700 0.035 0.000 0.766 218 E HN 0.158 nan 8.360 nan 0.000 0.507 219 R N -0.997 119.547 120.500 0.074 0.000 2.836 219 R HA 0.551 4.891 4.340 -0.000 0.000 0.269 219 R C -0.899 175.497 176.300 0.160 0.000 1.010 219 R CA -0.775 55.387 56.100 0.103 0.000 0.930 219 R CB 1.300 31.646 30.300 0.076 0.000 1.218 219 R HN -0.094 nan 8.270 nan 0.000 0.473 220 A N 1.282 124.230 122.820 0.213 0.000 2.531 220 A HA 0.004 4.324 4.320 -0.000 0.000 0.236 220 A C -0.492 177.255 177.584 0.272 0.000 1.062 220 A CA 0.306 52.543 52.037 0.333 0.000 0.760 220 A CB -0.022 19.156 19.000 0.297 0.000 0.995 220 A HN 0.733 nan 8.150 nan 0.000 0.501 221 H N 2.921 122.113 119.070 0.203 0.000 2.595 221 H HA 0.215 4.771 4.556 -0.000 0.000 0.313 221 H C -0.837 174.581 175.328 0.150 0.000 1.023 221 H CA -0.648 55.480 56.048 0.133 0.000 1.218 221 H CB 0.653 30.471 29.762 0.094 0.000 1.403 221 H HN 0.642 nan 8.280 nan 0.000 0.477 222 Q N 3.917 123.553 119.800 -0.274 0.000 2.361 222 Q HA 0.202 4.542 4.340 -0.000 0.000 0.250 222 Q C -0.085 175.615 176.000 -0.500 0.000 1.023 222 Q CA -0.475 55.189 55.803 -0.231 0.000 0.915 222 Q CB 1.240 29.925 28.738 -0.088 0.000 1.238 222 Q HN 0.613 nan 8.270 nan 0.000 0.451 223 A N 5.204 127.781 122.820 -0.405 0.000 2.981 223 A HA 0.070 4.390 4.320 -0.000 0.000 0.280 223 A C 1.220 178.761 177.584 -0.071 0.000 1.743 223 A CA -0.302 51.581 52.037 -0.257 0.000 1.430 223 A CB -0.500 18.497 19.000 -0.005 0.000 1.085 223 A HN 0.647 nan 8.150 nan 0.000 0.597 224 I N 0.883 121.410 120.570 -0.071 0.000 2.208 224 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 224 I C 2.463 178.600 176.117 0.034 0.000 1.097 224 I CA 1.517 62.813 61.300 -0.006 0.000 1.363 224 I CB -1.072 36.928 38.000 0.000 0.000 1.051 224 I HN 0.629 nan 8.210 nan 0.000 0.413 225 R N 0.551 121.079 120.500 0.048 0.000 2.091 225 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 225 R C 2.354 178.712 176.300 0.095 0.000 1.136 225 R CA 1.690 57.829 56.100 0.065 0.000 0.959 225 R CB -0.349 29.983 30.300 0.054 0.000 0.856 225 R HN 0.408 nan 8.270 nan 0.000 0.437 226 A N 1.108 123.981 122.820 0.087 0.000 1.897 226 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 226 A C 1.695 179.370 177.584 0.152 0.000 1.181 226 A CA 1.351 53.465 52.037 0.127 0.000 0.620 226 A CB -0.570 18.486 19.000 0.093 0.000 0.821 226 A HN 0.403 nan 8.150 nan 0.000 0.443 227 N N 0.180 118.931 118.700 0.085 0.000 2.043 227 N HA -0.189 4.550 4.740 -0.000 0.000 0.193 227 N C 1.103 176.647 175.510 0.056 0.000 1.037 227 N CA 1.483 54.565 53.050 0.052 0.000 0.851 227 N CB -0.307 38.195 38.487 0.025 0.000 1.027 227 N HN 0.385 nan 8.380 nan 0.000 0.422 228 D N 0.521 120.962 120.400 0.069 0.000 2.123 228 D HA -0.156 4.484 4.640 -0.000 0.000 0.196 228 D C 1.606 177.955 176.300 0.081 0.000 0.992 228 D CA 0.727 54.764 54.000 0.061 0.000 0.833 228 D CB -0.449 40.390 40.800 0.066 0.000 0.954 228 D HN 0.213 nan 8.370 nan 0.000 0.455 229 F N 1.124 121.071 119.950 -0.003 0.000 2.134 229 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 229 F C 1.989 177.784 175.800 -0.008 0.000 1.097 229 F CA 1.060 59.058 58.000 -0.004 0.000 1.264 229 F CB -0.245 38.755 39.000 0.001 0.000 1.001 229 F HN -0.107 nan 8.300 nan 0.000 0.479 230 L N 0.070 121.245 121.223 -0.080 0.000 2.275 230 L HA -0.066 4.274 4.340 -0.000 0.000 0.215 230 L C 0.602 177.358 176.870 -0.190 0.000 1.119 230 L CA -0.108 54.625 54.840 -0.179 0.000 0.790 230 L CB -0.577 41.477 42.059 -0.009 0.000 0.919 230 L HN -0.192 nan 8.230 nan 0.000 0.443 231 V N 1.438 121.270 119.914 -0.136 0.000 2.475 231 V HA 0.107 4.227 4.120 -0.000 0.000 0.292 231 V C 1.323 177.335 176.094 -0.136 0.000 1.003 231 V CA 1.184 63.419 62.300 -0.109 0.000 1.120 231 V CB -0.068 31.714 31.823 -0.068 0.000 0.937 231 V HN 0.648 nan 8.190 nan 0.000 0.476 232 G N 4.139 112.870 108.800 -0.115 0.000 2.176 232 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.253 232 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.253 232 G C 0.137 174.958 174.900 -0.131 0.000 0.979 232 G CA 0.101 45.136 45.100 -0.108 0.000 0.641 232 G HN 0.603 nan 8.290 nan 0.000 0.530 233 K N 0.020 120.319 120.400 -0.169 0.000 2.156 233 K HA 0.619 4.939 4.320 -0.000 0.000 0.254 233 K C 0.082 176.614 176.600 -0.113 0.000 0.950 233 K CA -0.890 55.293 56.287 -0.174 0.000 0.849 233 K CB 2.650 34.969 32.500 -0.300 0.000 1.100 233 K HN -0.010 nan 8.250 nan 0.000 0.434 234 V N 4.169 124.032 119.914 -0.085 0.000 2.427 234 V HA 0.118 4.238 4.120 -0.000 0.000 0.268 234 V C 0.302 176.367 176.094 -0.047 0.000 1.046 234 V CA -0.312 61.954 62.300 -0.057 0.000 0.970 234 V CB 0.217 32.015 31.823 -0.042 0.000 1.001 234 V HN 0.584 nan 8.190 nan 0.000 0.476 235 I N 6.715 127.261 120.570 -0.040 0.000 2.406 235 I HA 0.226 4.396 4.170 -0.000 0.000 0.293 235 I C 0.127 176.238 176.117 -0.010 0.000 1.101 235 I CA 0.024 61.312 61.300 -0.020 0.000 1.334 235 I CB 0.271 38.259 38.000 -0.020 0.000 1.421 235 I HN 0.753 nan 8.210 nan 0.000 0.513 236 D N 3.722 124.125 120.400 0.006 0.000 2.687 236 D HA 0.134 4.774 4.640 -0.000 0.000 0.264 236 D C 0.703 177.015 176.300 0.020 0.000 1.091 236 D CA -0.765 53.238 54.000 0.006 0.000 1.123 236 D CB 0.645 41.447 40.800 0.004 0.000 1.407 236 D HN 0.426 nan 8.370 nan 0.000 0.591 237 E N -0.206 120.003 120.200 0.014 0.000 2.065 237 E HA -0.280 4.070 4.350 -0.000 0.000 0.201 237 E C 1.703 178.320 176.600 0.027 0.000 1.016 237 E CA 2.534 58.943 56.400 0.016 0.000 0.818 237 E CB -0.105 29.600 29.700 0.008 0.000 0.749 237 E HN 0.474 nan 8.360 nan 0.000 0.453 238 S N -0.651 115.068 115.700 0.032 0.000 2.382 238 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 238 S C 2.096 176.745 174.600 0.081 0.000 1.027 238 S CA 1.606 59.831 58.200 0.043 0.000 0.991 238 S CB -0.634 62.591 63.200 0.041 0.000 0.823 238 S HN 0.245 nan 8.310 nan 0.000 0.469 239 T N 2.579 117.199 114.554 0.110 0.000 2.812 239 T HA 0.183 4.533 4.350 -0.000 0.000 0.264 239 T C 2.246 177.075 174.700 0.214 0.000 1.042 239 T CA 1.244 63.473 62.100 0.215 0.000 1.140 239 T CB -0.769 68.178 68.868 0.133 0.000 0.870 239 T HN 0.615 nan 8.240 nan 0.000 0.445 240 A N 1.401 124.288 122.820 0.112 0.000 1.972 240 A HA 0.192 4.512 4.320 -0.000 0.000 0.219 240 A C 2.598 180.213 177.584 0.053 0.000 1.169 240 A CA 1.729 53.815 52.037 0.083 0.000 0.635 240 A CB -0.979 18.048 19.000 0.045 0.000 0.810 240 A HN 0.496 nan 8.150 nan 0.000 0.446 241 A N -0.955 121.886 122.820 0.034 0.000 1.873 241 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 241 A C 2.306 179.866 177.584 -0.040 0.000 1.186 241 A CA 2.226 54.262 52.037 -0.002 0.000 0.616 241 A CB -1.222 17.776 19.000 -0.004 0.000 0.823 241 A HN 0.412 nan 8.150 nan 0.000 0.442 242 T N 0.328 114.848 114.554 -0.056 0.000 2.746 242 T HA 0.000 4.350 4.350 -0.000 0.000 0.267 242 T C 2.199 176.703 174.700 -0.326 0.000 1.039 242 T CA 1.496 63.460 62.100 -0.227 0.000 1.142 242 T CB -0.415 68.243 68.868 -0.349 0.000 0.866 242 T HN 0.580 nan 8.240 nan 0.000 0.444 243 A N 1.400 124.128 122.820 -0.153 0.000 1.933 243 A HA 0.184 4.504 4.320 -0.000 0.000 0.218 243 A C 2.627 180.193 177.584 -0.030 0.000 1.175 243 A CA 1.721 53.733 52.037 -0.042 0.000 0.628 243 A CB -1.008 18.108 19.000 0.194 0.000 0.814 243 A HN 0.501 nan 8.150 nan 0.000 0.444 244 A N -0.129 122.679 122.820 -0.021 0.000 1.933 244 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 244 A C 1.901 179.464 177.584 -0.035 0.000 1.175 244 A CA 1.667 53.697 52.037 -0.013 0.000 0.628 244 A CB -0.469 18.522 19.000 -0.015 0.000 0.814 244 A HN 0.643 nan 8.150 nan 0.000 0.444 245 E N -0.130 120.027 120.200 -0.071 0.000 2.047 245 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 245 E C 1.933 178.491 176.600 -0.071 0.000 0.987 245 E CA 1.142 57.495 56.400 -0.078 0.000 0.799 245 E CB -0.289 29.349 29.700 -0.105 0.000 0.752 245 E HN 0.611 nan 8.360 nan 0.000 0.449 246 L N 0.542 121.704 121.223 -0.102 0.000 2.083 246 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 246 L C 2.510 179.391 176.870 0.018 0.000 1.083 246 L CA 0.947 55.745 54.840 -0.069 0.000 0.752 246 L CB -0.406 41.579 42.059 -0.123 0.000 0.899 246 L HN 0.159 nan 8.230 nan 0.000 0.433 247 A N -0.303 122.542 122.820 0.041 0.000 2.014 247 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 247 A C 2.273 179.946 177.584 0.147 0.000 1.163 247 A CA 1.877 53.992 52.037 0.130 0.000 0.652 247 A CB -0.597 18.467 19.000 0.108 0.000 0.808 247 A HN 0.515 nan 8.150 nan 0.000 0.449 248 T N -1.198 113.378 114.554 0.037 0.000 3.022 248 T HA 0.125 4.475 4.350 -0.000 0.000 0.250 248 T C 0.597 175.261 174.700 -0.060 0.000 1.060 248 T CA 0.230 62.315 62.100 -0.024 0.000 1.013 248 T CB -0.422 68.423 68.868 -0.038 0.000 0.982 248 T HN 0.689 nan 8.240 nan 0.000 0.508 249 E N 1.356 121.534 120.200 -0.036 0.000 2.376 249 E HA 0.425 4.775 4.350 -0.000 0.000 0.266 249 E C 1.140 177.706 176.600 -0.056 0.000 1.009 249 E CA 0.028 56.401 56.400 -0.045 0.000 0.902 249 E CB 0.246 29.926 29.700 -0.033 0.000 0.972 249 E HN 0.313 nan 8.360 nan 0.000 0.439 250 G N 3.023 111.784 108.800 -0.065 0.000 2.234 250 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.235 250 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.235 250 G C 0.237 175.068 174.900 -0.115 0.000 0.997 250 G CA 0.052 45.110 45.100 -0.071 0.000 0.623 250 G HN 0.479 nan 8.290 nan 0.000 0.514 251 L N 0.779 121.906 121.223 -0.161 0.000 2.439 251 L HA 0.496 4.836 4.340 -0.000 0.000 0.269 251 L C 0.427 177.229 176.870 -0.113 0.000 1.179 251 L CA 0.207 54.935 54.840 -0.186 0.000 0.828 251 L CB 0.703 42.632 42.059 -0.216 0.000 1.106 251 L HN 0.221 nan 8.230 nan 0.000 0.467 252 E N 3.059 123.200 120.200 -0.098 0.000 2.675 252 E HA 0.293 4.643 4.350 -0.000 0.000 0.236 252 E C -2.388 174.172 176.600 -0.066 0.000 1.059 252 E CA -1.637 54.720 56.400 -0.071 0.000 0.775 252 E CB 1.203 30.870 29.700 -0.056 0.000 1.356 252 E HN 0.370 nan 8.360 nan 0.000 0.403 253 P HA 0.135 nan 4.420 nan 0.000 0.274 253 P C -0.549 176.718 177.300 -0.056 0.000 1.237 253 P CA -0.666 62.395 63.100 -0.064 0.000 0.793 253 P CB 0.648 32.310 31.700 -0.063 0.000 0.977 254 R N 1.283 121.748 120.500 -0.058 0.000 2.297 254 R HA 0.382 4.722 4.340 -0.000 0.000 0.308 254 R C -0.590 175.686 176.300 -0.040 0.000 1.029 254 R CA 0.066 56.135 56.100 -0.052 0.000 0.929 254 R CB 0.096 30.357 30.300 -0.066 0.000 1.046 254 R HN 0.342 nan 8.270 nan 0.000 0.461 255 S N 4.021 119.701 115.700 -0.034 0.000 2.499 255 S HA 0.254 4.724 4.470 -0.000 0.000 0.275 255 S C -0.709 173.877 174.600 -0.024 0.000 1.257 255 S CA -0.400 57.784 58.200 -0.026 0.000 1.050 255 S CB 0.606 63.789 63.200 -0.027 0.000 0.937 255 S HN 0.770 nan 8.310 nan 0.000 0.490 256 D N 0.712 121.102 120.400 -0.016 0.000 2.812 256 D HA 0.209 4.849 4.640 -0.000 0.000 0.318 256 D C 1.083 177.355 176.300 -0.046 0.000 1.234 256 D CA -0.921 53.066 54.000 -0.022 0.000 0.989 256 D CB -0.291 40.510 40.800 0.002 0.000 1.442 256 D HN 0.391 nan 8.370 nan 0.000 0.537 257 I N -2.291 118.213 120.570 -0.110 0.000 2.530 257 I HA -0.133 4.037 4.170 -0.000 0.000 0.257 257 I C 0.846 176.798 176.117 -0.275 0.000 1.179 257 I CA 1.209 62.380 61.300 -0.215 0.000 1.440 257 I CB -0.646 37.165 38.000 -0.315 0.000 1.087 257 I HN 0.261 nan 8.210 nan 0.000 0.440 258 H N 1.306 120.386 119.070 0.017 0.000 2.539 258 H HA 0.537 5.093 4.556 -0.000 0.000 0.269 258 H C 0.511 175.860 175.328 0.035 0.000 0.980 258 H CA 0.391 56.460 56.048 0.035 0.000 1.152 258 H CB 0.525 30.314 29.762 0.046 0.000 1.407 258 H HN 0.566 nan 8.280 nan 0.000 0.564 259 G N 0.044 108.893 108.800 0.082 0.000 2.341 259 G HA2 0.197 4.157 3.960 -0.000 0.000 0.300 259 G HA3 0.197 4.157 3.960 -0.000 0.000 0.300 259 G C -0.629 174.277 174.900 0.010 0.000 1.706 259 G CA -0.526 44.603 45.100 0.048 0.000 0.916 259 G HN 0.220 nan 8.290 nan 0.000 0.716 260 S N 1.538 117.233 115.700 -0.008 0.000 2.624 260 S HA 0.428 4.898 4.470 -0.000 0.000 0.263 260 S C 1.697 176.279 174.600 -0.030 0.000 1.287 260 S CA 0.228 58.416 58.200 -0.021 0.000 0.990 260 S CB 1.803 64.989 63.200 -0.024 0.000 0.950 260 S HN 1.053 nan 8.310 nan 0.000 0.561 261 R N 0.556 121.036 120.500 -0.034 0.000 2.083 261 R HA -0.171 4.169 4.340 -0.000 0.000 0.237 261 R C 1.009 177.280 176.300 -0.049 0.000 1.137 261 R CA 2.247 58.321 56.100 -0.042 0.000 0.951 261 R CB -0.937 29.338 30.300 -0.041 0.000 0.851 261 R HN 0.759 nan 8.270 nan 0.000 0.434 262 D N 0.855 121.228 120.400 -0.045 0.000 2.123 262 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 262 D C 1.878 178.141 176.300 -0.061 0.000 0.992 262 D CA 1.050 55.020 54.000 -0.050 0.000 0.833 262 D CB -0.301 40.474 40.800 -0.042 0.000 0.954 262 D HN 0.218 nan 8.370 nan 0.000 0.455 263 L N 1.164 122.352 121.223 -0.060 0.000 2.017 263 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 263 L C 2.100 178.905 176.870 -0.109 0.000 1.073 263 L CA 1.635 56.427 54.840 -0.080 0.000 0.745 263 L CB -0.262 41.762 42.059 -0.059 0.000 0.894 263 L HN -0.148 nan 8.230 nan 0.000 0.432 264 R N -0.138 120.311 120.500 -0.084 0.000 2.094 264 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 264 R C 2.309 178.548 176.300 -0.103 0.000 1.137 264 R CA 2.098 58.144 56.100 -0.090 0.000 0.943 264 R CB -1.278 28.984 30.300 -0.064 0.000 0.850 264 R HN 0.442 nan 8.270 nan 0.000 0.433 265 L N 0.328 121.498 121.223 -0.088 0.000 2.046 265 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 265 L C 2.805 179.619 176.870 -0.093 0.000 1.077 265 L CA 1.400 56.190 54.840 -0.085 0.000 0.747 265 L CB -0.544 41.472 42.059 -0.072 0.000 0.896 265 L HN 0.226 nan 8.230 nan 0.000 0.432 266 S N 0.157 115.797 115.700 -0.100 0.000 2.370 266 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 266 S C 2.003 176.519 174.600 -0.141 0.000 1.033 266 S CA 1.237 59.373 58.200 -0.106 0.000 1.011 266 S CB -0.197 62.941 63.200 -0.103 0.000 0.852 266 S HN 0.298 nan 8.310 nan 0.000 0.457 267 L N 0.951 122.055 121.223 -0.198 0.000 2.056 267 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 267 L C 2.991 179.751 176.870 -0.182 0.000 1.078 267 L CA 1.138 55.809 54.840 -0.282 0.000 0.749 267 L CB -0.757 41.026 42.059 -0.460 0.000 0.901 267 L HN 0.413 nan 8.230 nan 0.000 0.433 268 A N -0.143 122.596 122.820 -0.137 0.000 1.933 268 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 268 A C 2.442 179.981 177.584 -0.074 0.000 1.175 268 A CA 1.671 53.649 52.037 -0.097 0.000 0.628 268 A CB -0.402 18.550 19.000 -0.080 0.000 0.814 268 A HN 0.198 nan 8.150 nan 0.000 0.444 269 K N 0.051 120.407 120.400 -0.074 0.000 2.057 269 K HA -0.025 4.295 4.320 -0.000 0.000 0.206 269 K C 2.160 178.727 176.600 -0.054 0.000 1.050 269 K CA 1.385 57.638 56.287 -0.056 0.000 0.935 269 K CB -0.479 31.985 32.500 -0.059 0.000 0.715 269 K HN 0.348 nan 8.250 nan 0.000 0.439 270 A N 1.647 124.424 122.820 -0.072 0.000 1.898 270 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 270 A C 2.114 179.669 177.584 -0.047 0.000 1.181 270 A CA 1.192 53.193 52.037 -0.060 0.000 0.620 270 A CB -0.358 18.595 19.000 -0.079 0.000 0.819 270 A HN 0.257 nan 8.150 nan 0.000 0.442 271 I N 0.034 120.566 120.570 -0.063 0.000 2.252 271 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 271 I C 2.462 178.548 176.117 -0.053 0.000 1.102 271 I CA 1.829 63.093 61.300 -0.061 0.000 1.385 271 I CB -1.981 35.965 38.000 -0.090 0.000 1.064 271 I HN 0.226 nan 8.210 nan 0.000 0.414 272 T N 0.540 115.070 114.554 -0.039 0.000 2.746 272 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 272 T C 1.868 176.572 174.700 0.007 0.000 1.039 272 T CA 1.633 63.730 62.100 -0.006 0.000 1.142 272 T CB -0.221 68.654 68.868 0.011 0.000 0.866 272 T HN 0.401 nan 8.240 nan 0.000 0.444 273 Q N 0.872 120.671 119.800 -0.002 0.000 2.084 273 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 273 Q C 2.481 178.486 176.000 0.008 0.000 0.978 273 Q CA 1.336 57.142 55.803 0.006 0.000 0.844 273 Q CB -0.101 28.635 28.738 -0.004 0.000 0.898 273 Q HN 0.391 nan 8.270 nan 0.000 0.426 274 R N -0.145 120.354 120.500 -0.002 0.000 2.073 274 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 274 R C 2.244 178.550 176.300 0.010 0.000 1.134 274 R CA 1.520 57.621 56.100 0.002 0.000 0.952 274 R CB -0.459 29.839 30.300 -0.004 0.000 0.850 274 R HN 0.321 nan 8.270 nan 0.000 0.433 275 V N 1.000 120.919 119.914 0.007 0.000 2.515 275 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 275 V C 2.160 178.287 176.094 0.057 0.000 1.058 275 V CA 1.558 63.877 62.300 0.033 0.000 1.064 275 V CB -0.176 31.660 31.823 0.023 0.000 0.675 275 V HN 0.338 nan 8.190 nan 0.000 0.461 276 I N -0.488 120.109 120.570 0.046 0.000 2.179 276 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 276 I C 2.339 178.474 176.117 0.029 0.000 1.088 276 I CA 1.798 63.124 61.300 0.043 0.000 1.357 276 I CB -0.293 37.734 38.000 0.045 0.000 1.051 276 I HN 0.278 nan 8.210 nan 0.000 0.409 277 L N 0.392 121.628 121.223 0.021 0.000 2.083 277 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 277 L C 2.584 179.454 176.870 -0.000 0.000 1.083 277 L CA 1.178 56.021 54.840 0.005 0.000 0.752 277 L CB -0.510 41.550 42.059 0.001 0.000 0.899 277 L HN 0.163 nan 8.230 nan 0.000 0.433 278 K N 0.545 120.958 120.400 0.021 0.000 2.057 278 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 278 K C 2.022 178.661 176.600 0.066 0.000 1.050 278 K CA 1.600 57.909 56.287 0.036 0.000 0.935 278 K CB -0.406 32.132 32.500 0.063 0.000 0.715 278 K HN 0.220 nan 8.250 nan 0.000 0.439 279 A N 0.336 123.214 122.820 0.096 0.000 1.930 279 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 279 A C 2.329 179.942 177.584 0.048 0.000 1.175 279 A CA 1.908 54.039 52.037 0.157 0.000 0.627 279 A CB -0.907 18.167 19.000 0.123 0.000 0.815 279 A HN 0.383 nan 8.150 nan 0.000 0.443 280 A N -0.704 122.111 122.820 -0.008 0.000 1.898 280 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 280 A C 2.155 179.675 177.584 -0.107 0.000 1.181 280 A CA 1.970 53.973 52.037 -0.056 0.000 0.620 280 A CB -0.518 18.457 19.000 -0.042 0.000 0.819 280 A HN 0.601 nan 8.150 nan 0.000 0.442 281 Q N -0.312 119.419 119.800 -0.114 0.000 2.020 281 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 281 Q C 1.982 177.813 176.000 -0.282 0.000 0.982 281 Q CA 2.280 57.961 55.803 -0.204 0.000 0.838 281 Q CB -0.801 27.824 28.738 -0.189 0.000 0.899 281 Q HN 0.477 nan 8.270 nan 0.000 0.423 282 G N -0.202 108.468 108.800 -0.217 0.000 2.408 282 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 282 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 282 G C 1.477 175.957 174.900 -0.700 0.000 1.150 282 G CA 0.773 45.692 45.100 -0.302 0.000 0.776 282 G HN 0.520 nan 8.290 nan 0.000 0.542 283 A N 0.909 123.270 122.820 -0.765 0.000 1.883 283 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 283 A C 2.405 179.858 177.584 -0.218 0.000 1.186 283 A CA 1.812 53.528 52.037 -0.534 0.000 0.624 283 A CB -0.363 18.506 19.000 -0.219 0.000 0.822 283 A HN 0.385 nan 8.150 nan 0.000 0.444 284 M N -2.057 117.461 119.600 -0.138 0.000 2.557 284 M HA 0.053 4.533 4.480 -0.000 0.000 0.259 284 M C 0.774 177.119 176.300 0.075 0.000 1.086 284 M CA 0.411 55.688 55.300 -0.037 0.000 1.096 284 M CB -0.210 32.367 32.600 -0.038 0.000 1.424 284 M HN 0.483 nan 8.290 nan 0.000 0.488 285 Y N 0.000 120.222 120.300 -0.130 0.000 2.660 285 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 285 Y CA 0.000 58.050 58.100 -0.083 0.000 1.940 285 Y CB 0.000 38.414 38.460 -0.076 0.000 1.050 285 Y HN 0.000 nan 8.280 nan 0.000 0.758