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 1sjd_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLSGVELRR VQMPLVAPFR TSFGTQSVRE LLLLRAVTPA GEGWGECVTM DATA SEQUENCE AGPLYSSEYN DGAEHVLRHY LIPALLAAED ITAAKVTPLL AKFKGHRMAK DATA SEQUENCE GALEMAVLDA ELRAHERSFA AELGSVRDSV PCGVSVGIMD TIPQLLDVVG DATA SEQUENCE GYLDEGYVRI KLKIEPGWDV EPVRAVRERF GDDVLLQVDA NTAYTLGDAP DATA SEQUENCE QLARLDPFGL LLIEQPLEEE DVLGHAELAR RIQTPICLDE SIVSARAAAD DATA SEQUENCE AIKLGAVQIV NIKPGRVGGY LEARRVHDVC AAHGIPVWCG GMIETGLGRA DATA SEQUENCE ANVALASLPN FTLPGDTSAS DRFYKTDITE PFVLSGGHLP VPTGPGLGVA DATA SEQUENCE PIPELLDEVT TAKVWIG 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 0.000 176.311 176.300 0.018 0.000 1.140 1 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1 M CB 0.000 32.618 32.600 0.029 0.000 1.302 2 K N 1.051 121.460 120.400 0.015 0.000 2.376 2 K HA 0.756 5.076 4.320 -0.000 0.000 0.257 2 K C -1.778 174.828 176.600 0.011 0.000 0.939 2 K CA -0.716 55.578 56.287 0.012 0.000 0.809 2 K CB 1.858 34.365 32.500 0.012 0.000 1.121 2 K HN 0.616 nan 8.250 nan 0.000 0.425 3 L N 4.104 125.328 121.223 0.001 0.000 2.313 3 L HA 0.235 4.575 4.340 -0.000 0.000 0.282 3 L C 0.331 177.201 176.870 -0.001 0.000 1.092 3 L CA 0.746 55.580 54.840 -0.010 0.000 0.831 3 L CB 0.852 42.892 42.059 -0.033 0.000 1.159 3 L HN 0.956 nan 8.230 nan 0.000 0.442 4 S N 2.673 118.392 115.700 0.031 0.000 2.421 4 S HA 0.541 5.011 4.470 -0.000 0.000 0.224 4 S C 0.712 175.365 174.600 0.090 0.000 1.035 4 S CA 0.346 58.604 58.200 0.097 0.000 0.953 4 S CB 0.051 63.347 63.200 0.159 0.000 0.810 4 S HN 0.931 nan 8.310 nan 0.000 0.497 5 G N -0.059 108.714 108.800 -0.047 0.000 2.322 5 G HA2 0.467 4.427 3.960 -0.000 0.000 0.295 5 G HA3 0.467 4.427 3.960 -0.000 0.000 0.295 5 G C -2.184 172.370 174.900 -0.577 0.000 1.369 5 G CA -0.616 44.145 45.100 -0.565 0.000 0.821 5 G HN 0.184 nan 8.290 nan 0.000 0.536 6 V N 0.215 119.578 119.914 -0.918 0.000 2.733 6 V HA 0.596 4.716 4.120 -0.000 0.000 0.306 6 V C -0.509 175.311 176.094 -0.457 0.000 1.084 6 V CA -0.740 61.265 62.300 -0.490 0.000 0.905 6 V CB 1.846 33.466 31.823 -0.338 0.000 1.010 6 V HN 0.935 nan 8.190 nan 0.000 0.424 7 E N 4.403 124.524 120.200 -0.130 0.000 2.134 7 E HA 0.575 4.924 4.350 -0.000 0.000 0.278 7 E C -1.580 174.995 176.600 -0.040 0.000 0.959 7 E CA -0.595 55.828 56.400 0.038 0.000 0.783 7 E CB 1.493 31.303 29.700 0.182 0.000 1.095 7 E HN 0.618 nan 8.360 nan 0.000 0.399 8 L N 4.928 126.135 121.223 -0.028 0.000 2.289 8 L HA 0.489 4.828 4.340 -0.000 0.000 0.285 8 L C 0.133 177.028 176.870 0.042 0.000 1.049 8 L CA -0.342 54.490 54.840 -0.013 0.000 0.804 8 L CB 1.209 43.238 42.059 -0.051 0.000 1.195 8 L HN 0.502 nan 8.230 nan 0.000 0.428 9 R N 3.401 123.945 120.500 0.074 0.000 2.628 9 R HA 0.504 4.844 4.340 -0.000 0.000 0.288 9 R C -1.114 175.235 176.300 0.081 0.000 0.980 9 R CA -0.875 55.282 56.100 0.095 0.000 0.891 9 R CB 1.425 31.821 30.300 0.161 0.000 1.188 9 R HN 0.494 nan 8.270 nan 0.000 0.450 10 R N 2.367 122.906 120.500 0.064 0.000 2.428 10 R HA 0.497 4.837 4.340 -0.000 0.000 0.294 10 R C -0.891 175.437 176.300 0.047 0.000 1.000 10 R CA -0.697 55.436 56.100 0.054 0.000 0.960 10 R CB 1.873 32.203 30.300 0.050 0.000 1.076 10 R HN 0.310 nan 8.270 nan 0.000 0.475 11 V N 2.675 122.611 119.914 0.036 0.000 2.925 11 V HA 0.337 4.457 4.120 -0.000 0.000 0.311 11 V C -0.597 175.503 176.094 0.011 0.000 1.104 11 V CA -0.747 61.561 62.300 0.013 0.000 0.954 11 V CB 2.599 34.417 31.823 -0.009 0.000 1.022 11 V HN 0.602 nan 8.190 nan 0.000 0.427 12 Q N 3.811 123.613 119.800 0.003 0.000 2.321 12 Q HA 0.656 4.996 4.340 -0.000 0.000 0.270 12 Q C -1.421 174.577 176.000 -0.003 0.000 1.032 12 Q CA -0.427 55.386 55.803 0.018 0.000 0.784 12 Q CB 2.531 31.288 28.738 0.033 0.000 1.264 12 Q HN 0.651 nan 8.270 nan 0.000 0.448 13 M N 4.492 124.099 119.600 0.011 0.000 2.093 13 M HA 0.364 4.844 4.480 -0.000 0.000 0.297 13 M C -2.462 173.953 176.300 0.192 0.000 0.938 13 M CA -1.935 53.365 55.300 -0.001 0.000 0.920 13 M CB 2.193 34.598 32.600 -0.325 0.000 1.517 13 M HN 0.221 nan 8.290 nan 0.000 0.427 14 P HA 0.133 nan 4.420 nan 0.000 0.271 14 P C -0.956 176.507 177.300 0.272 0.000 1.216 14 P CA -0.477 62.734 63.100 0.186 0.000 0.776 14 P CB 0.550 32.327 31.700 0.128 0.000 0.881 15 L N 3.641 124.984 121.223 0.201 0.000 2.417 15 L HA 0.060 4.400 4.340 -0.000 0.000 0.268 15 L C 1.942 178.897 176.870 0.142 0.000 1.158 15 L CA -0.020 54.920 54.840 0.167 0.000 0.819 15 L CB 0.343 42.496 42.059 0.158 0.000 1.112 15 L HN 0.174 nan 8.230 nan 0.000 0.458 16 V N 2.001 121.985 119.914 0.117 0.000 2.515 16 V HA 0.042 4.162 4.120 -0.000 0.000 0.250 16 V C 0.696 176.830 176.094 0.067 0.000 1.058 16 V CA 1.483 63.832 62.300 0.081 0.000 1.064 16 V CB -0.142 31.708 31.823 0.045 0.000 0.675 16 V HN 0.850 nan 8.190 nan 0.000 0.461 17 A N -0.925 121.946 122.820 0.086 0.000 2.555 17 A HA 0.665 4.984 4.320 -0.000 0.000 0.297 17 A C -3.038 174.635 177.584 0.149 0.000 1.060 17 A CA -1.156 50.935 52.037 0.090 0.000 0.710 17 A CB 0.957 19.994 19.000 0.062 0.000 1.282 17 A HN 0.063 nan 8.150 nan 0.000 0.399 18 P HA 0.142 nan 4.420 nan 0.000 0.263 18 P C -0.941 176.496 177.300 0.229 0.000 1.168 18 P CA 0.641 63.823 63.100 0.138 0.000 0.759 18 P CB 0.002 31.737 31.700 0.058 0.000 0.782 19 F N 4.066 124.039 119.950 0.039 0.000 2.403 19 F HA 0.421 4.947 4.527 -0.000 0.000 0.355 19 F C 0.320 176.090 175.800 -0.051 0.000 1.119 19 F CA -1.065 56.959 58.000 0.039 0.000 1.007 19 F CB 0.991 40.064 39.000 0.121 0.000 1.194 19 F HN 0.121 nan 8.300 nan 0.000 0.443 20 R N 4.409 124.506 120.500 -0.672 0.000 2.387 20 R HA 0.582 4.922 4.340 -0.000 0.000 0.314 20 R C -0.661 175.154 176.300 -0.808 0.000 0.958 20 R CA -0.208 55.523 56.100 -0.615 0.000 0.846 20 R CB 1.167 31.225 30.300 -0.404 0.000 1.147 20 R HN 0.801 nan 8.270 nan 0.000 0.447 21 T N -0.550 113.530 114.554 -0.791 0.000 2.905 21 T HA 0.162 4.512 4.350 -0.000 0.000 0.283 21 T C 1.206 175.576 174.700 -0.551 0.000 1.031 21 T CA -0.270 61.378 62.100 -0.753 0.000 1.002 21 T CB 1.414 69.573 68.868 -1.180 0.000 1.200 21 T HN 0.516 nan 8.240 nan 0.000 0.560 22 S N 0.014 115.504 115.700 -0.350 0.000 2.500 22 S HA -0.065 4.405 4.470 -0.000 0.000 0.239 22 S C 1.294 175.842 174.600 -0.088 0.000 0.989 22 S CA 0.681 58.783 58.200 -0.165 0.000 0.951 22 S CB -1.176 61.995 63.200 -0.047 0.000 0.759 22 S HN 0.793 nan 8.310 nan 0.000 0.523 23 F N -0.158 119.771 119.950 -0.034 0.000 2.695 23 F HA 0.697 5.224 4.527 -0.000 0.000 0.303 23 F C 0.845 176.624 175.800 -0.035 0.000 1.091 23 F CA -0.270 57.719 58.000 -0.020 0.000 1.300 23 F CB -0.125 38.889 39.000 0.024 0.000 1.071 23 F HN 0.401 nan 8.300 nan 0.000 0.578 24 G N 0.088 108.757 108.800 -0.219 0.000 2.347 24 G HA2 0.239 4.199 3.960 -0.000 0.000 0.341 24 G HA3 0.239 4.199 3.960 -0.000 0.000 0.341 24 G C -1.307 173.448 174.900 -0.241 0.000 1.287 24 G CA -0.643 44.379 45.100 -0.130 0.000 0.984 24 G HN 0.149 nan 8.290 nan 0.000 0.526 25 T N 0.282 114.761 114.554 -0.125 0.000 2.895 25 T HA 0.700 5.050 4.350 -0.000 0.000 0.283 25 T C -0.135 174.561 174.700 -0.007 0.000 1.014 25 T CA -0.221 61.812 62.100 -0.112 0.000 1.037 25 T CB 1.814 70.625 68.868 -0.094 0.000 1.006 25 T HN 0.682 nan 8.240 nan 0.000 0.468 26 Q N 0.631 120.455 119.800 0.041 0.000 2.323 26 Q HA 0.492 4.832 4.340 -0.000 0.000 0.271 26 Q C -0.218 175.860 176.000 0.130 0.000 1.048 26 Q CA -0.530 55.341 55.803 0.113 0.000 0.792 26 Q CB 1.334 30.183 28.738 0.184 0.000 1.280 26 Q HN 0.724 nan 8.270 nan 0.000 0.441 27 S N 1.167 116.930 115.700 0.106 0.000 2.549 27 S HA 0.283 4.753 4.470 -0.000 0.000 0.225 27 S C 0.093 174.762 174.600 0.114 0.000 1.039 27 S CA -0.153 58.110 58.200 0.104 0.000 0.942 27 S CB 0.950 64.195 63.200 0.075 0.000 0.881 27 S HN 0.360 nan 8.310 nan 0.000 0.503 28 V N 1.541 121.522 119.914 0.111 0.000 3.102 28 V HA 0.584 4.704 4.120 -0.000 0.000 0.312 28 V C -0.816 175.352 176.094 0.123 0.000 1.135 28 V CA -0.947 61.426 62.300 0.122 0.000 1.022 28 V CB 2.223 34.104 31.823 0.096 0.000 1.056 28 V HN 0.081 nan 8.190 nan 0.000 0.436 29 R N 1.778 122.368 120.500 0.151 0.000 2.388 29 R HA 0.463 4.803 4.340 -0.000 0.000 0.314 29 R C -0.942 175.414 176.300 0.093 0.000 0.959 29 R CA -0.412 55.767 56.100 0.132 0.000 0.851 29 R CB 1.606 32.030 30.300 0.206 0.000 1.168 29 R HN 0.811 nan 8.270 nan 0.000 0.472 30 E N 3.802 124.047 120.200 0.076 0.000 2.146 30 E HA 0.347 4.697 4.350 -0.000 0.000 0.282 30 E C -0.805 175.830 176.600 0.058 0.000 0.989 30 E CA -0.528 55.910 56.400 0.063 0.000 0.799 30 E CB 0.852 30.594 29.700 0.070 0.000 1.088 30 E HN 0.314 nan 8.360 nan 0.000 0.397 31 L N 1.091 122.342 121.223 0.046 0.000 2.409 31 L HA 0.595 4.935 4.340 -0.000 0.000 0.255 31 L C -1.271 175.629 176.870 0.049 0.000 1.027 31 L CA -0.958 53.908 54.840 0.044 0.000 0.834 31 L CB 0.900 42.980 42.059 0.035 0.000 1.426 31 L HN 0.381 nan 8.230 nan 0.000 0.411 32 L N 2.235 123.491 121.223 0.055 0.000 2.305 32 L HA 0.642 4.982 4.340 -0.000 0.000 0.284 32 L C -1.231 175.690 176.870 0.085 0.000 1.013 32 L CA -0.461 54.416 54.840 0.062 0.000 0.819 32 L CB 1.476 43.564 42.059 0.049 0.000 1.227 32 L HN 0.543 nan 8.230 nan 0.000 0.417 33 L N 5.465 126.759 121.223 0.117 0.000 2.342 33 L HA 0.619 4.958 4.340 -0.000 0.000 0.271 33 L C -0.821 176.157 176.870 0.181 0.000 1.008 33 L CA -0.862 54.096 54.840 0.198 0.000 0.818 33 L CB 2.232 44.466 42.059 0.291 0.000 1.296 33 L HN 0.509 nan 8.230 nan 0.000 0.427 34 L N 2.104 123.429 121.223 0.171 0.000 2.386 34 L HA 0.625 4.965 4.340 -0.000 0.000 0.271 34 L C -0.396 176.335 176.870 -0.231 0.000 0.993 34 L CA -0.714 54.121 54.840 -0.008 0.000 0.819 34 L CB 2.255 44.292 42.059 -0.037 0.000 1.294 34 L HN 0.545 nan 8.230 nan 0.000 0.414 35 R N 2.218 122.442 120.500 -0.459 0.000 2.320 35 R HA 0.658 4.998 4.340 -0.000 0.000 0.319 35 R C -0.757 175.293 176.300 -0.416 0.000 0.969 35 R CA -0.373 55.217 56.100 -0.851 0.000 0.857 35 R CB 1.670 31.284 30.300 -1.143 0.000 1.160 35 R HN 0.870 nan 8.270 nan 0.000 0.491 36 A N 3.602 126.221 122.820 -0.336 0.000 2.331 36 A HA 0.437 4.756 4.320 -0.000 0.000 0.283 36 A C -0.408 177.108 177.584 -0.113 0.000 1.142 36 A CA -0.400 51.533 52.037 -0.175 0.000 0.812 36 A CB 1.170 20.105 19.000 -0.107 0.000 1.074 36 A HN 0.454 nan 8.150 nan 0.000 0.497 37 V N 3.053 122.955 119.914 -0.020 0.000 2.378 37 V HA 0.550 4.669 4.120 -0.000 0.000 0.288 37 V C 0.364 176.491 176.094 0.054 0.000 1.016 37 V CA -0.041 62.294 62.300 0.059 0.000 0.840 37 V CB 1.520 33.482 31.823 0.232 0.000 0.994 37 V HN 1.113 nan 8.190 nan 0.000 0.431 38 T N 2.888 117.460 114.554 0.030 0.000 2.912 38 T HA 0.508 4.858 4.350 -0.000 0.000 0.288 38 T C -1.807 172.908 174.700 0.026 0.000 1.030 38 T CA -2.194 59.923 62.100 0.027 0.000 1.020 38 T CB 2.129 71.008 68.868 0.017 0.000 1.056 38 T HN 0.370 nan 8.240 nan 0.000 0.480 39 P HA -0.135 nan 4.420 nan 0.000 0.217 39 P C 1.423 178.727 177.300 0.006 0.000 1.148 39 P CA 1.511 64.620 63.100 0.015 0.000 0.834 39 P CB -0.248 31.459 31.700 0.012 0.000 0.783 40 A N -0.740 122.084 122.820 0.006 0.000 1.832 40 A HA 0.397 4.717 4.320 -0.000 0.000 0.214 40 A C 1.425 179.012 177.584 0.005 0.000 1.204 40 A CA 1.675 53.712 52.037 0.000 0.000 0.606 40 A CB -1.052 17.946 19.000 -0.004 0.000 0.849 40 A HN 0.387 nan 8.150 nan 0.000 0.445 41 G N -1.849 106.958 108.800 0.011 0.000 2.634 41 G HA2 0.526 4.486 3.960 -0.000 0.000 0.309 41 G HA3 0.526 4.486 3.960 -0.000 0.000 0.309 41 G C -1.623 173.282 174.900 0.008 0.000 1.299 41 G CA -0.572 44.537 45.100 0.015 0.000 0.798 41 G HN 0.280 nan 8.290 nan 0.000 0.490 42 E N -1.353 118.851 120.200 0.007 0.000 2.235 42 E HA 0.623 4.972 4.350 -0.000 0.000 0.265 42 E C -0.359 176.224 176.600 -0.028 0.000 0.940 42 E CA -0.861 55.510 56.400 -0.048 0.000 0.819 42 E CB 2.348 32.001 29.700 -0.080 0.000 1.206 42 E HN 0.740 nan 8.360 nan 0.000 0.409 43 G N 0.848 109.576 108.800 -0.119 0.000 2.682 43 G HA2 0.461 4.421 3.960 -0.000 0.000 0.300 43 G HA3 0.461 4.421 3.960 -0.000 0.000 0.300 43 G C -1.971 172.825 174.900 -0.173 0.000 1.391 43 G CA -0.703 44.384 45.100 -0.023 0.000 0.990 43 G HN 0.335 nan 8.290 nan 0.000 0.501 44 W N 0.452 121.768 121.300 0.026 0.000 2.551 44 W HA 0.676 5.336 4.660 -0.001 0.000 0.330 44 W C 0.444 176.974 176.519 0.018 0.000 1.063 44 W CA -0.256 57.097 57.345 0.012 0.000 1.222 44 W CB 2.807 32.258 29.460 -0.015 0.000 1.349 44 W HN 0.795 nan 8.180 nan 0.000 0.536 45 G N 1.348 110.317 108.800 0.280 0.000 2.612 45 G HA2 0.572 4.532 3.960 -0.000 0.000 0.298 45 G HA3 0.572 4.532 3.960 -0.000 0.000 0.298 45 G C -2.022 173.005 174.900 0.211 0.000 1.336 45 G CA -0.697 44.527 45.100 0.207 0.000 0.953 45 G HN 0.378 nan 8.290 nan 0.000 0.482 46 E N 0.100 120.405 120.200 0.175 0.000 2.248 46 E HA 0.460 4.810 4.350 -0.000 0.000 0.267 46 E C -0.975 175.695 176.600 0.117 0.000 0.877 46 E CA -0.698 55.785 56.400 0.138 0.000 0.759 46 E CB 2.188 31.954 29.700 0.109 0.000 1.182 46 E HN 0.534 nan 8.360 nan 0.000 0.418 47 C N 4.285 123.638 119.300 0.088 0.000 2.401 47 C HA 0.356 4.816 4.460 -0.000 0.000 0.365 47 C C 1.515 176.534 174.990 0.048 0.000 1.250 47 C CA -0.355 58.704 59.018 0.068 0.000 2.131 47 C CB 0.178 27.951 27.740 0.055 0.000 2.445 47 C HN 0.711 nan 8.230 nan 0.000 0.550 48 V N 3.420 123.354 119.914 0.033 0.000 3.649 48 V HA 0.185 4.304 4.120 -0.000 0.000 0.275 48 V C 1.010 177.100 176.094 -0.006 0.000 1.281 48 V CA 0.732 63.031 62.300 -0.002 0.000 1.143 48 V CB -1.565 30.235 31.823 -0.038 0.000 0.892 48 V HN 0.970 nan 8.190 nan 0.000 0.441 49 T N -0.750 113.822 114.554 0.029 0.000 2.855 49 T HA 0.487 4.837 4.350 -0.000 0.000 0.314 49 T C -0.125 174.608 174.700 0.055 0.000 1.077 49 T CA -0.082 62.049 62.100 0.052 0.000 1.095 49 T CB 1.246 70.156 68.868 0.071 0.000 0.987 49 T HN 0.383 nan 8.240 nan 0.000 0.546 50 M N 0.649 120.293 119.600 0.074 0.000 2.799 50 M HA 0.570 5.050 4.480 -0.000 0.000 0.274 50 M C 1.986 178.361 176.300 0.126 0.000 1.137 50 M CA -0.871 54.477 55.300 0.081 0.000 0.897 50 M CB 0.920 33.561 32.600 0.068 0.000 1.567 50 M HN 0.805 nan 8.290 nan 0.000 0.536 51 A N 0.121 123.008 122.820 0.112 0.000 1.865 51 A HA 0.099 4.418 4.320 -0.000 0.000 0.217 51 A C 0.972 178.632 177.584 0.126 0.000 1.191 51 A CA 1.942 54.053 52.037 0.124 0.000 0.623 51 A CB -1.074 17.976 19.000 0.084 0.000 0.826 51 A HN 0.820 nan 8.150 nan 0.000 0.444 52 G N -1.875 106.943 108.800 0.030 0.000 2.511 52 G HA2 0.526 4.486 3.960 -0.000 0.000 0.318 52 G HA3 0.526 4.486 3.960 -0.000 0.000 0.318 52 G C -3.014 171.836 174.900 -0.083 0.000 1.210 52 G CA -1.422 43.594 45.100 -0.141 0.000 0.969 52 G HN 0.034 nan 8.290 nan 0.000 0.484 53 P HA 0.189 nan 4.420 nan 0.000 0.237 53 P C 0.504 177.739 177.300 -0.108 0.000 1.788 53 P CA -0.102 62.965 63.100 -0.055 0.000 1.061 53 P CB 0.151 31.825 31.700 -0.044 0.000 1.967 54 L N 0.080 121.208 121.223 -0.159 0.000 2.425 54 L HA 0.100 4.440 4.340 -0.000 0.000 0.215 54 L C 2.202 178.782 176.870 -0.484 0.000 1.065 54 L CA 0.408 55.096 54.840 -0.252 0.000 0.842 54 L CB -0.415 41.546 42.059 -0.164 0.000 1.033 54 L HN 0.114 nan 8.230 nan 0.000 0.474 55 Y N 0.799 120.673 120.300 -0.710 0.000 2.343 55 Y HA 0.119 4.669 4.550 -0.000 0.000 0.294 55 Y C 1.226 176.972 175.900 -0.257 0.000 1.122 55 Y CA 0.344 58.058 58.100 -0.643 0.000 1.173 55 Y CB 0.564 38.667 38.460 -0.595 0.000 1.077 55 Y HN 0.139 nan 8.280 nan 0.000 0.542 56 S N -1.208 114.387 115.700 -0.175 0.000 2.671 56 S HA 0.261 4.731 4.470 -0.000 0.000 0.277 56 S C 0.667 175.239 174.600 -0.046 0.000 1.165 56 S CA -0.238 57.868 58.200 -0.156 0.000 0.822 56 S CB 0.831 63.975 63.200 -0.094 0.000 1.150 56 S HN 0.365 nan 8.310 nan 0.000 0.479 57 S N -0.350 115.325 115.700 -0.042 0.000 2.507 57 S HA 0.035 4.505 4.470 -0.000 0.000 0.235 57 S C 0.312 174.978 174.600 0.110 0.000 0.988 57 S CA 0.411 58.619 58.200 0.013 0.000 0.944 57 S CB -0.722 62.461 63.200 -0.029 0.000 0.762 57 S HN 0.740 nan 8.310 nan 0.000 0.526 58 E N 0.921 121.172 120.200 0.084 0.000 2.301 58 E HA 0.497 4.847 4.350 -0.000 0.000 0.275 58 E C -0.861 175.873 176.600 0.222 0.000 1.030 58 E CA -0.730 55.732 56.400 0.102 0.000 0.852 58 E CB 0.760 30.487 29.700 0.045 0.000 1.060 58 E HN 0.658 nan 8.360 nan 0.000 0.401 59 Y N 0.256 120.579 120.300 0.038 0.000 2.625 59 Y HA 0.372 4.922 4.550 -0.000 0.000 0.338 59 Y C 0.548 176.478 175.900 0.050 0.000 1.123 59 Y CA -1.279 56.841 58.100 0.034 0.000 1.046 59 Y CB 0.212 38.684 38.460 0.020 0.000 1.299 59 Y HN 0.239 nan 8.280 nan 0.000 0.464 60 N N 0.946 119.749 118.700 0.172 0.000 2.036 60 N HA -0.226 4.514 4.740 -0.000 0.000 0.199 60 N C 0.873 176.385 175.510 0.003 0.000 1.036 60 N CA 2.317 55.417 53.050 0.082 0.000 0.870 60 N CB -0.388 38.164 38.487 0.109 0.000 1.055 60 N HN 0.828 nan 8.380 nan 0.000 0.436 61 D N -0.128 120.297 120.400 0.042 0.000 2.144 61 D HA -0.065 4.574 4.640 -0.000 0.000 0.199 61 D C 1.969 178.161 176.300 -0.181 0.000 0.984 61 D CA 1.265 55.263 54.000 -0.004 0.000 0.834 61 D CB -0.745 40.141 40.800 0.144 0.000 0.955 61 D HN 0.392 nan 8.370 nan 0.000 0.465 62 G N 0.815 109.238 108.800 -0.629 0.000 2.433 62 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 62 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 62 G C 1.742 176.542 174.900 -0.167 0.000 1.186 62 G CA 1.434 46.211 45.100 -0.538 0.000 0.779 62 G HN 0.399 nan 8.290 nan 0.000 0.543 63 A N 0.713 123.451 122.820 -0.137 0.000 1.883 63 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 63 A C 2.158 179.722 177.584 -0.034 0.000 1.186 63 A CA 2.188 54.205 52.037 -0.033 0.000 0.624 63 A CB -0.621 18.377 19.000 -0.005 0.000 0.822 63 A HN 0.502 nan 8.150 nan 0.000 0.444 64 E N -1.209 118.977 120.200 -0.024 0.000 2.049 64 E HA -0.328 4.022 4.350 -0.000 0.000 0.198 64 E C 1.913 178.507 176.600 -0.009 0.000 1.007 64 E CA 1.737 58.126 56.400 -0.018 0.000 0.809 64 E CB -0.301 29.404 29.700 0.009 0.000 0.749 64 E HN 0.809 nan 8.360 nan 0.000 0.450 65 H N -0.489 118.563 119.070 -0.030 0.000 2.352 65 H HA -0.107 4.448 4.556 -0.000 0.000 0.299 65 H C 2.026 177.394 175.328 0.067 0.000 1.097 65 H CA 1.794 57.891 56.048 0.082 0.000 1.311 65 H CB -0.156 29.660 29.762 0.091 0.000 1.377 65 H HN 0.117 nan 8.280 nan 0.000 0.504 66 V N -0.072 119.864 119.914 0.036 0.000 2.427 66 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 66 V C 2.334 178.324 176.094 -0.173 0.000 1.051 66 V CA 1.639 63.884 62.300 -0.092 0.000 1.048 66 V CB -0.433 31.144 31.823 -0.409 0.000 0.666 66 V HN 0.460 nan 8.190 nan 0.000 0.456 67 L N -0.198 120.922 121.223 -0.170 0.000 2.012 67 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 67 L C 2.716 179.422 176.870 -0.274 0.000 1.073 67 L CA 2.393 57.122 54.840 -0.186 0.000 0.748 67 L CB -0.560 41.417 42.059 -0.137 0.000 0.891 67 L HN 0.313 nan 8.230 nan 0.000 0.431 68 R N -1.087 119.202 120.500 -0.352 0.000 2.073 68 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 68 R C 2.291 178.121 176.300 -0.783 0.000 1.134 68 R CA 1.465 57.222 56.100 -0.571 0.000 0.952 68 R CB -0.139 29.746 30.300 -0.692 0.000 0.850 68 R HN 0.423 nan 8.270 nan 0.000 0.433 69 H N -2.030 116.747 119.070 -0.488 0.000 2.562 69 H HA 0.056 4.612 4.556 -0.000 0.000 0.267 69 H C 0.673 175.527 175.328 -0.790 0.000 0.959 69 H CA 1.081 56.713 56.048 -0.693 0.000 1.204 69 H CB 0.519 29.688 29.762 -0.988 0.000 1.430 69 H HN 0.324 nan 8.280 nan 0.000 0.545 70 Y N -0.676 119.388 120.300 -0.392 0.000 2.846 70 Y HA 0.108 4.658 4.550 -0.000 0.000 0.258 70 Y C 2.400 177.976 175.900 -0.541 0.000 1.077 70 Y CA -0.138 57.615 58.100 -0.578 0.000 1.270 70 Y CB 0.094 37.942 38.460 -1.019 0.000 1.476 70 Y HN -0.138 nan 8.280 nan 0.000 0.460 71 L N -0.159 120.880 121.223 -0.307 0.000 2.044 71 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 71 L C 1.976 178.787 176.870 -0.098 0.000 1.075 71 L CA 1.389 56.133 54.840 -0.160 0.000 0.747 71 L CB -0.601 41.385 42.059 -0.122 0.000 0.903 71 L HN 0.218 nan 8.230 nan 0.000 0.435 72 I N 0.224 120.697 120.570 -0.163 0.000 2.142 72 I HA -0.175 3.994 4.170 -0.000 0.000 0.240 72 I C -0.206 175.823 176.117 -0.147 0.000 1.078 72 I CA 1.444 62.642 61.300 -0.170 0.000 1.343 72 I CB -1.408 36.447 38.000 -0.241 0.000 1.046 72 I HN 0.187 nan 8.210 nan 0.000 0.405 73 P HA -0.238 nan 4.420 nan 0.000 0.216 73 P C 1.413 178.690 177.300 -0.039 0.000 1.154 73 P CA 2.168 65.193 63.100 -0.125 0.000 0.865 73 P CB -0.131 31.477 31.700 -0.153 0.000 0.789 74 A N -0.664 122.173 122.820 0.028 0.000 1.933 74 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 74 A C 2.314 179.928 177.584 0.050 0.000 1.175 74 A CA 1.394 53.495 52.037 0.107 0.000 0.628 74 A CB -1.540 17.627 19.000 0.279 0.000 0.814 74 A HN 0.132 nan 8.150 nan 0.000 0.444 75 L N -0.821 120.412 121.223 0.017 0.000 2.109 75 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 75 L C 2.441 179.299 176.870 -0.021 0.000 1.086 75 L CA 0.790 55.629 54.840 -0.000 0.000 0.760 75 L CB -0.585 41.464 42.059 -0.017 0.000 0.910 75 L HN 0.371 nan 8.230 nan 0.000 0.437 76 L N -0.011 121.183 121.223 -0.048 0.000 2.127 76 L HA -0.196 4.143 4.340 -0.000 0.000 0.211 76 L C 2.795 179.649 176.870 -0.028 0.000 1.089 76 L CA 1.151 55.958 54.840 -0.055 0.000 0.757 76 L CB -0.762 41.241 42.059 -0.093 0.000 0.899 76 L HN 0.232 nan 8.230 nan 0.000 0.434 77 A N 0.108 122.918 122.820 -0.016 0.000 2.014 77 A HA 0.181 4.501 4.320 -0.000 0.000 0.218 77 A C 1.467 179.052 177.584 0.001 0.000 1.163 77 A CA 0.757 52.792 52.037 -0.004 0.000 0.652 77 A CB -0.477 18.528 19.000 0.008 0.000 0.808 77 A HN 0.310 nan 8.150 nan 0.000 0.449 78 A N -0.023 122.798 122.820 0.003 0.000 2.440 78 A HA 0.317 4.637 4.320 -0.000 0.000 0.251 78 A C 1.056 178.641 177.584 0.002 0.000 1.089 78 A CA -0.013 52.026 52.037 0.004 0.000 0.779 78 A CB 0.221 19.225 19.000 0.008 0.000 1.022 78 A HN 0.492 nan 8.150 nan 0.000 0.492 79 E N 0.903 121.105 120.200 0.003 0.000 2.005 79 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 79 E C 0.118 176.722 176.600 0.006 0.000 1.010 79 E CA 1.442 57.845 56.400 0.004 0.000 0.825 79 E CB 0.094 29.796 29.700 0.004 0.000 0.769 79 E HN 0.862 nan 8.360 nan 0.000 0.456 80 D N -0.159 120.246 120.400 0.007 0.000 2.256 80 D HA 0.209 4.849 4.640 -0.000 0.000 0.246 80 D C -0.773 175.533 176.300 0.011 0.000 1.042 80 D CA -0.360 53.647 54.000 0.011 0.000 0.841 80 D CB 1.032 41.840 40.800 0.013 0.000 1.223 80 D HN -0.044 nan 8.370 nan 0.000 0.470 81 I N 2.265 122.843 120.570 0.014 0.000 2.474 81 I HA 0.291 4.460 4.170 -0.000 0.000 0.294 81 I C 0.068 176.197 176.117 0.019 0.000 1.005 81 I CA -0.452 60.856 61.300 0.013 0.000 1.113 81 I CB 1.868 39.873 38.000 0.009 0.000 1.289 81 I HN 0.353 nan 8.210 nan 0.000 0.436 82 T N 3.692 118.255 114.554 0.015 0.000 2.912 82 T HA 0.420 4.770 4.350 -0.000 0.000 0.299 82 T C 0.958 175.661 174.700 0.006 0.000 1.052 82 T CA -0.231 61.876 62.100 0.012 0.000 0.996 82 T CB 2.206 71.076 68.868 0.004 0.000 1.070 82 T HN 0.692 nan 8.240 nan 0.000 0.465 83 A N 2.104 124.924 122.820 -0.001 0.000 1.917 83 A HA -0.016 4.303 4.320 -0.000 0.000 0.219 83 A C 2.415 179.996 177.584 -0.006 0.000 1.182 83 A CA 2.330 54.364 52.037 -0.005 0.000 0.633 83 A CB -0.981 18.002 19.000 -0.028 0.000 0.819 83 A HN 0.968 nan 8.150 nan 0.000 0.448 84 A N -0.725 122.086 122.820 -0.016 0.000 1.972 84 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 84 A C 2.049 179.632 177.584 -0.002 0.000 1.169 84 A CA 1.858 53.888 52.037 -0.012 0.000 0.635 84 A CB -0.343 18.645 19.000 -0.019 0.000 0.810 84 A HN 0.530 nan 8.150 nan 0.000 0.446 85 K N -0.490 119.911 120.400 0.001 0.000 2.366 85 K HA 0.067 4.386 4.320 -0.000 0.000 0.198 85 K C 1.595 178.203 176.600 0.012 0.000 1.044 85 K CA 0.675 56.965 56.287 0.005 0.000 0.973 85 K CB -0.072 32.431 32.500 0.005 0.000 0.767 85 K HN 0.300 nan 8.250 nan 0.000 0.475 86 V N 0.843 120.767 119.914 0.017 0.000 2.332 86 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 86 V C 1.986 178.101 176.094 0.035 0.000 1.055 86 V CA 2.133 64.450 62.300 0.029 0.000 1.038 86 V CB -0.676 31.166 31.823 0.032 0.000 0.651 86 V HN 0.389 nan 8.190 nan 0.000 0.450 87 T N 0.573 115.143 114.554 0.027 0.000 2.622 87 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 87 T C 0.057 174.768 174.700 0.018 0.000 1.047 87 T CA 2.295 64.411 62.100 0.026 0.000 1.159 87 T CB -1.320 67.560 68.868 0.019 0.000 0.863 87 T HN 0.474 nan 8.240 nan 0.000 0.422 88 P HA 0.026 nan 4.420 nan 0.000 0.217 88 P C 1.609 178.900 177.300 -0.015 0.000 1.150 88 P CA 0.914 64.009 63.100 -0.008 0.000 0.832 88 P CB -0.264 31.430 31.700 -0.009 0.000 0.787 89 L N -1.500 119.725 121.223 0.004 0.000 2.131 89 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 89 L C 2.075 178.962 176.870 0.027 0.000 1.092 89 L CA 1.215 56.062 54.840 0.012 0.000 0.759 89 L CB -0.545 41.533 42.059 0.031 0.000 0.903 89 L HN -0.041 nan 8.230 nan 0.000 0.435 90 L N -1.472 119.786 121.223 0.059 0.000 2.667 90 L HA 0.201 4.541 4.340 -0.000 0.000 0.232 90 L C 2.386 179.285 176.870 0.048 0.000 1.138 90 L CA -0.087 54.843 54.840 0.150 0.000 0.921 90 L CB -0.238 41.952 42.059 0.218 0.000 1.180 90 L HN 0.066 nan 8.230 nan 0.000 0.487 91 A N 1.819 124.615 122.820 -0.040 0.000 1.940 91 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 91 A C 2.359 179.855 177.584 -0.147 0.000 1.176 91 A CA 1.949 53.950 52.037 -0.060 0.000 0.631 91 A CB -0.346 18.622 19.000 -0.054 0.000 0.814 91 A HN 0.563 nan 8.150 nan 0.000 0.446 92 K N -1.018 119.181 120.400 -0.334 0.000 2.281 92 K HA -0.093 4.227 4.320 -0.000 0.000 0.203 92 K C -0.386 175.937 176.600 -0.462 0.000 1.046 92 K CA 0.704 56.718 56.287 -0.456 0.000 0.938 92 K CB -0.461 31.668 32.500 -0.619 0.000 0.737 92 K HN 0.414 nan 8.250 nan 0.000 0.458 93 F N 3.020 122.965 119.950 -0.008 0.000 2.404 93 F HA 0.254 4.781 4.527 -0.000 0.000 0.358 93 F C 0.391 176.203 175.800 0.020 0.000 1.120 93 F CA -1.286 56.701 58.000 -0.023 0.000 1.144 93 F CB 0.856 39.828 39.000 -0.046 0.000 1.133 93 F HN -0.281 nan 8.300 nan 0.000 0.495 94 K N 3.078 123.593 120.400 0.192 0.000 2.322 94 K HA 0.405 4.724 4.320 -0.000 0.000 0.283 94 K C 0.784 177.479 176.600 0.157 0.000 1.042 94 K CA 0.360 56.719 56.287 0.121 0.000 0.958 94 K CB 0.773 33.311 32.500 0.063 0.000 0.984 94 K HN 0.904 nan 8.250 nan 0.000 0.473 95 G N 2.172 111.013 108.800 0.068 0.000 2.528 95 G HA2 -0.341 3.618 3.960 -0.000 0.000 0.262 95 G HA3 -0.341 3.618 3.960 -0.000 0.000 0.262 95 G C -0.283 174.652 174.900 0.057 0.000 1.200 95 G CA 0.217 45.302 45.100 -0.025 0.000 0.951 95 G HN 0.894 nan 8.290 nan 0.000 0.566 96 H N -0.151 118.921 119.070 0.004 0.000 2.791 96 H HA -0.174 4.382 4.556 -0.000 0.000 0.302 96 H C 2.128 177.462 175.328 0.010 0.000 1.198 96 H CA 1.432 57.479 56.048 -0.001 0.000 1.145 96 H CB -0.986 28.769 29.762 -0.012 0.000 1.385 96 H HN 0.665 nan 8.280 nan 0.000 0.409 97 R N -0.007 120.530 120.500 0.061 0.000 2.096 97 R HA -0.150 4.189 4.340 -0.000 0.000 0.240 97 R C 2.435 178.766 176.300 0.052 0.000 1.139 97 R CA 2.044 58.173 56.100 0.049 0.000 0.952 97 R CB -0.094 30.216 30.300 0.016 0.000 0.854 97 R HN 0.331 nan 8.270 nan 0.000 0.436 98 M N -0.154 119.477 119.600 0.051 0.000 2.086 98 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 98 M C 2.578 178.914 176.300 0.060 0.000 1.067 98 M CA 1.828 57.158 55.300 0.050 0.000 1.116 98 M CB -0.365 32.266 32.600 0.052 0.000 1.348 98 M HN 0.249 nan 8.290 nan 0.000 0.407 99 A N 0.826 123.691 122.820 0.074 0.000 1.865 99 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 99 A C 2.110 179.727 177.584 0.054 0.000 1.191 99 A CA 1.966 54.038 52.037 0.058 0.000 0.623 99 A CB -0.632 18.403 19.000 0.058 0.000 0.826 99 A HN 0.448 nan 8.150 nan 0.000 0.444 100 K N -0.802 119.640 120.400 0.071 0.000 2.063 100 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 100 K C 2.129 178.770 176.600 0.069 0.000 1.048 100 K CA 1.164 57.492 56.287 0.068 0.000 0.928 100 K CB -0.531 32.019 32.500 0.084 0.000 0.713 100 K HN 0.481 nan 8.250 nan 0.000 0.442 101 G N 1.316 110.156 108.800 0.067 0.000 2.440 101 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 101 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 101 G C 1.655 176.633 174.900 0.131 0.000 1.154 101 G CA 1.033 46.180 45.100 0.078 0.000 0.767 101 G HN 0.369 nan 8.290 nan 0.000 0.552 102 A N 0.246 123.132 122.820 0.110 0.000 1.902 102 A HA 0.068 4.387 4.320 -0.000 0.000 0.217 102 A C 2.369 180.019 177.584 0.109 0.000 1.181 102 A CA 1.668 53.780 52.037 0.125 0.000 0.623 102 A CB -0.436 18.616 19.000 0.087 0.000 0.818 102 A HN 0.402 nan 8.150 nan 0.000 0.443 103 L N -0.009 121.257 121.223 0.071 0.000 2.056 103 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 103 L C 2.364 179.273 176.870 0.066 0.000 1.078 103 L CA 2.488 57.355 54.840 0.044 0.000 0.749 103 L CB -0.490 41.577 42.059 0.015 0.000 0.901 103 L HN 0.611 nan 8.230 nan 0.000 0.433 104 E N -0.758 119.495 120.200 0.087 0.000 2.153 104 E HA -0.291 4.059 4.350 -0.000 0.000 0.194 104 E C 2.211 178.892 176.600 0.135 0.000 0.988 104 E CA 1.506 57.961 56.400 0.092 0.000 0.811 104 E CB -0.175 29.581 29.700 0.093 0.000 0.746 104 E HN 0.598 nan 8.360 nan 0.000 0.466 105 M N 0.337 120.063 119.600 0.210 0.000 2.086 105 M HA -0.158 4.321 4.480 -0.000 0.000 0.261 105 M C 2.272 178.735 176.300 0.272 0.000 1.067 105 M CA 1.823 57.312 55.300 0.315 0.000 1.116 105 M CB -0.155 32.668 32.600 0.371 0.000 1.348 105 M HN 0.184 nan 8.290 nan 0.000 0.407 106 A N -0.001 122.921 122.820 0.170 0.000 1.865 106 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 106 A C 2.054 179.691 177.584 0.088 0.000 1.191 106 A CA 2.175 54.274 52.037 0.104 0.000 0.623 106 A CB -1.338 17.674 19.000 0.021 0.000 0.826 106 A HN 0.436 nan 8.150 nan 0.000 0.444 107 V N -0.362 119.592 119.914 0.067 0.000 2.332 107 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 107 V C 2.529 178.666 176.094 0.073 0.000 1.055 107 V CA 2.134 64.464 62.300 0.050 0.000 1.038 107 V CB -0.821 31.023 31.823 0.034 0.000 0.651 107 V HN 0.594 nan 8.190 nan 0.000 0.450 108 L N 0.445 121.721 121.223 0.087 0.000 2.056 108 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 108 L C 2.120 179.097 176.870 0.178 0.000 1.078 108 L CA 2.321 57.184 54.840 0.037 0.000 0.749 108 L CB -0.788 41.192 42.059 -0.131 0.000 0.901 108 L HN 0.385 nan 8.230 nan 0.000 0.433 109 D N -0.470 120.144 120.400 0.358 0.000 2.104 109 D HA -0.202 4.438 4.640 -0.000 0.000 0.194 109 D C 2.106 178.540 176.300 0.223 0.000 0.994 109 D CA 1.520 55.764 54.000 0.407 0.000 0.830 109 D CB -0.010 40.947 40.800 0.262 0.000 0.959 109 D HN 0.436 nan 8.370 nan 0.000 0.452 110 A N 0.341 123.249 122.820 0.147 0.000 1.898 110 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 110 A C 2.204 179.853 177.584 0.108 0.000 1.181 110 A CA 1.809 53.905 52.037 0.097 0.000 0.620 110 A CB -0.762 18.269 19.000 0.052 0.000 0.819 110 A HN 0.412 nan 8.150 nan 0.000 0.442 111 E N -0.253 120.016 120.200 0.115 0.000 2.106 111 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 111 E C 1.936 178.675 176.600 0.232 0.000 0.984 111 E CA 0.958 57.447 56.400 0.148 0.000 0.806 111 E CB -0.156 29.602 29.700 0.095 0.000 0.750 111 E HN 0.628 nan 8.360 nan 0.000 0.458 112 L N 0.071 121.396 121.223 0.170 0.000 2.072 112 L HA -0.080 4.259 4.340 -0.000 0.000 0.205 112 L C 2.758 179.737 176.870 0.181 0.000 1.079 112 L CA 0.864 55.808 54.840 0.174 0.000 0.752 112 L CB -0.332 41.816 42.059 0.148 0.000 0.906 112 L HN 0.082 nan 8.230 nan 0.000 0.436 113 R N 0.014 120.606 120.500 0.154 0.000 2.139 113 R HA -0.192 4.148 4.340 -0.000 0.000 0.243 113 R C 2.290 178.636 176.300 0.076 0.000 1.145 113 R CA 1.413 57.580 56.100 0.111 0.000 0.976 113 R CB -0.410 29.951 30.300 0.102 0.000 0.866 113 R HN 0.367 nan 8.270 nan 0.000 0.449 114 A N -0.136 122.725 122.820 0.070 0.000 2.014 114 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 114 A C 1.135 178.629 177.584 -0.150 0.000 1.163 114 A CA 1.182 53.200 52.037 -0.033 0.000 0.652 114 A CB -0.265 18.702 19.000 -0.056 0.000 0.808 114 A HN 0.331 nan 8.150 nan 0.000 0.449 115 H N -1.390 117.696 119.070 0.027 0.000 2.529 115 H HA 0.312 4.868 4.556 -0.000 0.000 0.277 115 H C -0.191 175.152 175.328 0.024 0.000 1.004 115 H CA 0.355 56.415 56.048 0.021 0.000 1.167 115 H CB 0.130 29.902 29.762 0.016 0.000 1.445 115 H HN 0.553 nan 8.280 nan 0.000 0.554 116 E N 0.600 120.862 120.200 0.104 0.000 2.252 116 E HA -0.254 4.096 4.350 -0.000 0.000 0.218 116 E C -0.210 176.447 176.600 0.095 0.000 1.253 116 E CA 0.221 56.668 56.400 0.079 0.000 0.705 116 E CB -0.537 29.191 29.700 0.046 0.000 1.172 116 E HN 0.435 nan 8.360 nan 0.000 0.369 117 R N 0.459 121.029 120.500 0.117 0.000 2.686 117 R HA 0.528 4.868 4.340 -0.000 0.000 0.286 117 R C -0.360 176.006 176.300 0.111 0.000 0.969 117 R CA -0.120 56.039 56.100 0.097 0.000 0.898 117 R CB 1.271 31.621 30.300 0.083 0.000 1.183 117 R HN 0.175 nan 8.270 nan 0.000 0.456 118 S N 2.312 118.072 115.700 0.099 0.000 2.632 118 S HA 0.215 4.685 4.470 -0.000 0.000 0.267 118 S C 0.879 175.593 174.600 0.189 0.000 1.276 118 S CA -0.638 57.644 58.200 0.137 0.000 0.998 118 S CB 0.590 63.848 63.200 0.097 0.000 0.953 118 S HN 0.525 nan 8.310 nan 0.000 0.547 119 F N 1.376 121.308 119.950 -0.030 0.000 2.095 119 F HA -0.019 4.507 4.527 -0.000 0.000 0.298 119 F C 2.841 178.614 175.800 -0.045 0.000 1.104 119 F CA 1.223 59.187 58.000 -0.060 0.000 1.232 119 F CB -1.394 37.530 39.000 -0.127 0.000 0.987 119 F HN 0.808 nan 8.300 nan 0.000 0.475 120 A N -0.035 122.879 122.820 0.156 0.000 1.903 120 A HA -0.214 4.105 4.320 -0.000 0.000 0.219 120 A C 2.471 180.077 177.584 0.037 0.000 1.191 120 A CA 2.447 54.526 52.037 0.070 0.000 0.638 120 A CB -1.451 17.583 19.000 0.055 0.000 0.823 120 A HN 0.356 nan 8.150 nan 0.000 0.451 121 A N -0.455 122.390 122.820 0.041 0.000 1.858 121 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 121 A C 1.996 179.578 177.584 -0.004 0.000 1.190 121 A CA 2.217 54.267 52.037 0.021 0.000 0.617 121 A CB -0.611 18.406 19.000 0.028 0.000 0.827 121 A HN 0.612 nan 8.150 nan 0.000 0.443 122 E N 0.267 120.453 120.200 -0.023 0.000 2.085 122 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 122 E C 1.724 178.286 176.600 -0.064 0.000 0.994 122 E CA 1.504 57.864 56.400 -0.067 0.000 0.801 122 E CB -0.427 29.189 29.700 -0.138 0.000 0.743 122 E HN 0.601 nan 8.360 nan 0.000 0.453 123 L N -1.186 120.004 121.223 -0.054 0.000 2.376 123 L HA 0.152 4.491 4.340 -0.000 0.000 0.219 123 L C 1.482 178.334 176.870 -0.030 0.000 1.133 123 L CA 0.544 55.359 54.840 -0.041 0.000 0.816 123 L CB -0.238 41.804 42.059 -0.027 0.000 0.933 123 L HN 0.469 nan 8.230 nan 0.000 0.449 124 G N 0.059 108.849 108.800 -0.017 0.000 2.141 124 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.195 124 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.195 124 G C 0.282 175.181 174.900 -0.001 0.000 1.012 124 G CA 0.215 45.313 45.100 -0.003 0.000 0.696 124 G HN 0.250 nan 8.290 nan 0.000 0.508 125 S N -0.864 114.834 115.700 -0.003 0.000 2.558 125 S HA 0.315 4.785 4.470 -0.000 0.000 0.287 125 S C 1.658 176.274 174.600 0.027 0.000 1.321 125 S CA 0.956 59.158 58.200 0.004 0.000 1.048 125 S CB 1.098 64.303 63.200 0.009 0.000 0.844 125 S HN 1.673 nan 8.310 nan 0.000 0.512 126 V N 1.966 121.905 119.914 0.042 0.000 3.432 126 V HA 0.507 4.626 4.120 -0.000 0.000 0.298 126 V C -0.031 176.097 176.094 0.057 0.000 1.464 126 V CA -0.388 61.944 62.300 0.054 0.000 1.046 126 V CB -0.920 30.945 31.823 0.071 0.000 0.887 126 V HN 0.855 nan 8.190 nan 0.000 0.441 127 R N -0.946 119.587 120.500 0.054 0.000 2.752 127 R HA 0.666 5.006 4.340 -0.000 0.000 0.271 127 R C -0.976 175.359 176.300 0.058 0.000 1.026 127 R CA -0.461 55.676 56.100 0.062 0.000 0.901 127 R CB 0.624 30.973 30.300 0.081 0.000 1.243 127 R HN -0.065 nan 8.270 nan 0.000 0.463 128 D N -0.183 120.256 120.400 0.065 0.000 2.369 128 D HA 0.085 4.725 4.640 -0.000 0.000 0.211 128 D C -0.105 176.246 176.300 0.085 0.000 1.077 128 D CA 0.418 54.456 54.000 0.063 0.000 0.842 128 D CB 0.687 41.516 40.800 0.050 0.000 0.947 128 D HN 0.493 nan 8.370 nan 0.000 0.509 129 S N -0.242 115.528 115.700 0.117 0.000 2.588 129 S HA 0.638 5.107 4.470 -0.000 0.000 0.269 129 S C -1.017 173.698 174.600 0.191 0.000 1.157 129 S CA -0.797 57.507 58.200 0.173 0.000 0.824 129 S CB 1.994 65.326 63.200 0.219 0.000 1.126 129 S HN 0.053 nan 8.310 nan 0.000 0.464 130 V N -1.865 118.128 119.914 0.131 0.000 2.971 130 V HA 0.880 4.999 4.120 -0.000 0.000 0.309 130 V C -3.193 172.650 176.094 -0.418 0.000 1.130 130 V CA -2.516 59.746 62.300 -0.063 0.000 0.964 130 V CB 1.774 33.578 31.823 -0.032 0.000 1.029 130 V HN 0.826 nan 8.190 nan 0.000 0.427 131 P HA 0.432 nan 4.420 nan 0.000 0.280 131 P C -0.700 176.453 177.300 -0.246 0.000 1.244 131 P CA -0.168 62.466 63.100 -0.777 0.000 0.784 131 P CB 0.998 32.422 31.700 -0.459 0.000 0.913 132 C N 3.057 122.288 119.300 -0.114 0.000 2.379 132 C HA 0.782 5.242 4.460 -0.000 0.000 0.323 132 C C 1.121 176.173 174.990 0.102 0.000 1.262 132 C CA -0.153 58.889 59.018 0.039 0.000 1.581 132 C CB 1.199 29.027 27.740 0.147 0.000 2.221 132 C HN 0.705 nan 8.230 nan 0.000 0.497 133 G N 0.785 109.591 108.800 0.010 0.000 2.613 133 G HA2 0.686 4.645 3.960 -0.000 0.000 0.303 133 G HA3 0.686 4.645 3.960 -0.000 0.000 0.303 133 G C -1.176 173.584 174.900 -0.234 0.000 1.312 133 G CA -0.341 44.716 45.100 -0.072 0.000 1.036 133 G HN 0.804 nan 8.290 nan 0.000 0.513 134 V N -0.958 118.727 119.914 -0.381 0.000 2.925 134 V HA 0.694 4.814 4.120 -0.000 0.000 0.311 134 V C -0.464 175.384 176.094 -0.410 0.000 1.104 134 V CA -0.738 61.171 62.300 -0.650 0.000 0.954 134 V CB 2.233 33.307 31.823 -1.248 0.000 1.022 134 V HN 0.841 nan 8.190 nan 0.000 0.427 135 S N 4.929 120.429 115.700 -0.333 0.000 2.404 135 S HA 0.578 5.048 4.470 -0.000 0.000 0.309 135 S C -0.689 173.893 174.600 -0.030 0.000 1.076 135 S CA -0.472 57.678 58.200 -0.083 0.000 1.095 135 S CB 0.440 63.693 63.200 0.088 0.000 0.972 135 S HN 0.717 nan 8.310 nan 0.000 0.484 136 V N 5.540 125.460 119.914 0.011 0.000 2.432 136 V HA 0.542 4.662 4.120 -0.000 0.000 0.275 136 V C 1.384 177.593 176.094 0.191 0.000 1.043 136 V CA -0.438 61.923 62.300 0.103 0.000 0.925 136 V CB 1.009 32.875 31.823 0.072 0.000 0.985 136 V HN 0.911 nan 8.190 nan 0.000 0.466 137 G N 3.930 112.859 108.800 0.215 0.000 2.588 137 G HA2 0.489 4.449 3.960 -0.000 0.000 0.278 137 G HA3 0.489 4.449 3.960 -0.000 0.000 0.278 137 G C -0.115 174.728 174.900 -0.094 0.000 1.307 137 G CA -0.834 44.199 45.100 -0.112 0.000 1.016 137 G HN 0.640 nan 8.290 nan 0.000 0.503 138 I N 0.962 121.345 120.570 -0.313 0.000 2.496 138 I HA 0.101 4.271 4.170 -0.000 0.000 0.285 138 I C 0.298 176.029 176.117 -0.643 0.000 1.080 138 I CA -0.230 60.716 61.300 -0.591 0.000 1.404 138 I CB 1.059 38.624 38.000 -0.726 0.000 1.403 138 I HN 0.140 nan 8.210 nan 0.000 0.539 139 M N 4.097 123.163 119.600 -0.890 0.000 2.649 139 M HA 0.246 4.726 4.480 -0.000 0.000 0.294 139 M C 0.773 176.639 176.300 -0.723 0.000 1.206 139 M CA -0.367 54.623 55.300 -0.516 0.000 0.928 139 M CB 0.853 33.457 32.600 0.008 0.000 1.571 139 M HN 0.434 nan 8.290 nan 0.000 0.501 140 D N 0.386 120.610 120.400 -0.294 0.000 2.240 140 D HA 0.032 4.672 4.640 -0.000 0.000 0.206 140 D C 0.538 176.825 176.300 -0.021 0.000 0.963 140 D CA 0.988 54.872 54.000 -0.194 0.000 0.863 140 D CB 0.619 41.355 40.800 -0.106 0.000 0.973 140 D HN 0.732 nan 8.370 nan 0.000 0.501 141 T N -2.714 111.895 114.554 0.093 0.000 2.906 141 T HA 0.434 4.784 4.350 -0.000 0.000 0.295 141 T C 1.324 176.255 174.700 0.385 0.000 1.075 141 T CA -0.756 61.479 62.100 0.225 0.000 1.005 141 T CB 1.623 70.563 68.868 0.119 0.000 1.136 141 T HN -0.233 nan 8.240 nan 0.000 0.498 142 I N 1.205 121.953 120.570 0.296 0.000 2.133 142 I HA 0.018 4.188 4.170 -0.000 0.000 0.238 142 I C -0.700 175.502 176.117 0.142 0.000 1.074 142 I CA 0.609 62.018 61.300 0.181 0.000 1.342 142 I CB -1.163 36.851 38.000 0.022 0.000 1.053 142 I HN 0.523 nan 8.210 nan 0.000 0.404 143 P HA -0.262 nan 4.420 nan 0.000 0.216 143 P C 1.561 178.925 177.300 0.107 0.000 1.157 143 P CA 1.685 64.832 63.100 0.080 0.000 0.880 143 P CB -0.223 31.511 31.700 0.056 0.000 0.791 144 Q N -0.721 119.149 119.800 0.116 0.000 2.062 144 Q HA -0.237 4.103 4.340 -0.000 0.000 0.209 144 Q C 2.116 178.201 176.000 0.142 0.000 0.996 144 Q CA 1.742 57.609 55.803 0.108 0.000 0.859 144 Q CB -0.824 27.968 28.738 0.091 0.000 0.920 144 Q HN 0.098 nan 8.270 nan 0.000 0.415 145 L N 0.579 121.929 121.223 0.212 0.000 1.956 145 L HA -0.237 4.103 4.340 -0.000 0.000 0.216 145 L C 2.290 179.284 176.870 0.207 0.000 1.073 145 L CA 1.844 56.828 54.840 0.240 0.000 0.762 145 L CB -0.618 41.642 42.059 0.336 0.000 0.889 145 L HN 0.373 nan 8.230 nan 0.000 0.433 146 L N -0.239 121.119 121.223 0.224 0.000 2.064 146 L HA -0.326 4.013 4.340 -0.000 0.000 0.216 146 L C 2.334 179.417 176.870 0.355 0.000 1.077 146 L CA 1.707 56.757 54.840 0.349 0.000 0.766 146 L CB -1.172 41.014 42.059 0.211 0.000 0.890 146 L HN 0.415 nan 8.230 nan 0.000 0.435 147 D N -0.284 120.233 120.400 0.196 0.000 2.097 147 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 147 D C 2.356 178.704 176.300 0.080 0.000 0.989 147 D CA 1.414 55.497 54.000 0.139 0.000 0.827 147 D CB -0.429 40.411 40.800 0.068 0.000 0.966 147 D HN 0.184 nan 8.370 nan 0.000 0.456 148 V N 1.061 121.011 119.914 0.060 0.000 2.255 148 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 148 V C 2.749 178.838 176.094 -0.008 0.000 1.051 148 V CA 1.201 63.495 62.300 -0.008 0.000 1.018 148 V CB -0.779 31.089 31.823 0.076 0.000 0.641 148 V HN 0.039 nan 8.190 nan 0.000 0.445 149 V N 1.020 120.952 119.914 0.029 0.000 2.233 149 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 149 V C 2.734 178.595 176.094 -0.389 0.000 1.050 149 V CA 2.495 64.705 62.300 -0.149 0.000 1.010 149 V CB -1.551 30.107 31.823 -0.275 0.000 0.637 149 V HN 0.626 nan 8.190 nan 0.000 0.444 150 G N -0.371 108.138 108.800 -0.484 0.000 2.503 150 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.221 150 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.221 150 G C 1.583 176.437 174.900 -0.077 0.000 1.131 150 G CA 1.228 46.180 45.100 -0.247 0.000 0.756 150 G HN 0.637 nan 8.290 nan 0.000 0.572 151 G N -0.091 108.659 108.800 -0.083 0.000 2.433 151 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 151 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 151 G C 1.607 176.438 174.900 -0.115 0.000 1.186 151 G CA 0.956 45.971 45.100 -0.141 0.000 0.779 151 G HN 0.499 nan 8.290 nan 0.000 0.543 152 Y N 0.472 120.770 120.300 -0.004 0.000 2.207 152 Y HA -0.062 4.488 4.550 -0.000 0.000 0.287 152 Y C 2.861 178.822 175.900 0.102 0.000 1.156 152 Y CA 0.528 58.694 58.100 0.111 0.000 1.182 152 Y CB -0.181 38.287 38.460 0.014 0.000 0.979 152 Y HN 0.067 nan 8.280 nan 0.000 0.521 153 L N -0.169 121.120 121.223 0.109 0.000 2.043 153 L HA -0.298 4.042 4.340 -0.000 0.000 0.212 153 L C 1.787 178.679 176.870 0.036 0.000 1.075 153 L CA 1.394 56.248 54.840 0.024 0.000 0.752 153 L CB -0.461 41.524 42.059 -0.123 0.000 0.891 153 L HN 0.302 nan 8.230 nan 0.000 0.432 154 D N -0.497 119.919 120.400 0.027 0.000 2.149 154 D HA -0.178 4.461 4.640 -0.000 0.000 0.201 154 D C 2.005 178.301 176.300 -0.007 0.000 0.972 154 D CA 0.826 54.834 54.000 0.013 0.000 0.835 154 D CB -0.116 40.690 40.800 0.010 0.000 0.966 154 D HN 0.299 nan 8.370 nan 0.000 0.476 155 E N -0.239 119.961 120.200 0.002 0.000 2.219 155 E HA -0.118 4.232 4.350 -0.000 0.000 0.198 155 E C 1.129 177.625 176.600 -0.172 0.000 0.998 155 E CA 1.301 57.663 56.400 -0.064 0.000 0.818 155 E CB -0.049 29.664 29.700 0.022 0.000 0.741 155 E HN 0.397 nan 8.360 nan 0.000 0.477 156 G N -1.184 107.546 108.800 -0.115 0.000 2.168 156 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.197 156 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.197 156 G C -0.355 174.476 174.900 -0.116 0.000 0.997 156 G CA -0.181 44.850 45.100 -0.113 0.000 0.658 156 G HN 0.227 nan 8.290 nan 0.000 0.513 157 Y N 0.208 120.528 120.300 0.032 0.000 2.717 157 Y HA 0.198 4.748 4.550 -0.000 0.000 0.330 157 Y C 1.998 177.887 175.900 -0.020 0.000 1.217 157 Y CA 0.478 58.576 58.100 -0.003 0.000 1.506 157 Y CB 1.092 39.533 38.460 -0.031 0.000 1.268 157 Y HN -0.028 nan 8.280 nan 0.000 0.561 158 V N 2.851 122.847 119.914 0.137 0.000 2.591 158 V HA -0.059 4.061 4.120 -0.000 0.000 0.249 158 V C 0.828 176.930 176.094 0.013 0.000 1.053 158 V CA 1.249 63.583 62.300 0.057 0.000 1.068 158 V CB -0.337 31.506 31.823 0.034 0.000 0.689 158 V HN 0.640 nan 8.190 nan 0.000 0.462 159 R N 0.315 120.807 120.500 -0.012 0.000 2.698 159 R HA 0.387 4.727 4.340 -0.000 0.000 0.275 159 R C -2.061 174.175 176.300 -0.107 0.000 1.001 159 R CA -0.638 55.417 56.100 -0.075 0.000 0.896 159 R CB 1.995 32.217 30.300 -0.131 0.000 1.218 159 R HN 0.072 nan 8.270 nan 0.000 0.462 160 I N 3.436 123.939 120.570 -0.111 0.000 2.362 160 I HA 0.378 4.548 4.170 -0.000 0.000 0.289 160 I C 0.069 176.114 176.117 -0.120 0.000 0.994 160 I CA -0.589 60.638 61.300 -0.123 0.000 1.158 160 I CB 1.479 39.420 38.000 -0.099 0.000 1.315 160 I HN 0.510 nan 8.210 nan 0.000 0.451 161 K N 7.813 128.139 120.400 -0.123 0.000 2.307 161 K HA 0.629 4.949 4.320 -0.000 0.000 0.263 161 K C -1.637 174.960 176.600 -0.005 0.000 0.973 161 K CA -0.542 55.699 56.287 -0.076 0.000 0.846 161 K CB 1.337 33.781 32.500 -0.092 0.000 1.100 161 K HN 0.543 nan 8.250 nan 0.000 0.438 162 L N 4.684 125.924 121.223 0.028 0.000 2.287 162 L HA 0.381 4.721 4.340 -0.000 0.000 0.287 162 L C -0.047 176.898 176.870 0.125 0.000 1.022 162 L CA -1.201 53.688 54.840 0.083 0.000 0.814 162 L CB 1.349 43.447 42.059 0.065 0.000 1.217 162 L HN 0.456 nan 8.230 nan 0.000 0.420 163 K N 4.855 125.339 120.400 0.139 0.000 2.368 163 K HA 0.402 4.722 4.320 -0.000 0.000 0.282 163 K C -0.298 176.438 176.600 0.226 0.000 1.035 163 K CA 0.041 56.398 56.287 0.117 0.000 0.973 163 K CB 1.007 33.488 32.500 -0.032 0.000 0.957 163 K HN 0.588 nan 8.250 nan 0.000 0.474 164 I N -1.929 118.781 120.570 0.232 0.000 2.846 164 I HA 0.581 4.751 4.170 -0.000 0.000 0.307 164 I C -0.346 175.941 176.117 0.283 0.000 1.053 164 I CA -0.799 60.698 61.300 0.328 0.000 1.050 164 I CB 2.400 40.555 38.000 0.259 0.000 1.239 164 I HN 0.456 nan 8.210 nan 0.000 0.439 165 E N 2.365 122.738 120.200 0.288 0.000 2.430 165 E HA 0.482 4.832 4.350 -0.000 0.000 0.279 165 E C -2.818 173.814 176.600 0.052 0.000 1.003 165 E CA -2.182 54.254 56.400 0.059 0.000 0.801 165 E CB 2.750 32.466 29.700 0.027 0.000 1.313 165 E HN 0.417 nan 8.360 nan 0.000 0.459 166 P HA 0.101 nan 4.420 nan 0.000 0.267 166 P C 0.245 177.586 177.300 0.068 0.000 1.205 166 P CA 1.065 64.130 63.100 -0.060 0.000 0.765 166 P CB 0.486 32.074 31.700 -0.187 0.000 0.828 167 G N 1.608 110.490 108.800 0.137 0.000 2.176 167 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.253 167 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.253 167 G C -0.298 174.759 174.900 0.261 0.000 0.979 167 G CA -0.322 44.867 45.100 0.147 0.000 0.641 167 G HN 0.609 nan 8.290 nan 0.000 0.530 168 W N 1.624 122.944 121.300 0.033 0.000 1.504 168 W HA 0.415 5.075 4.660 -0.000 0.000 0.313 168 W C -0.056 176.493 176.519 0.050 0.000 0.936 168 W CA 0.375 57.732 57.345 0.021 0.000 1.471 168 W CB 0.281 29.737 29.460 -0.006 0.000 1.627 168 W HN 0.369 nan 8.180 nan 0.000 0.408 169 D N -1.001 119.375 120.400 -0.041 0.000 2.979 169 D HA 0.050 4.690 4.640 -0.000 0.000 0.184 169 D C 1.563 177.737 176.300 -0.210 0.000 1.417 169 D CA 0.134 54.099 54.000 -0.058 0.000 1.527 169 D CB 0.341 41.195 40.800 0.090 0.000 1.199 169 D HN -0.180 nan 8.370 nan 0.000 0.198 170 V N 0.922 120.748 119.914 -0.146 0.000 2.282 170 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 170 V C 2.316 178.217 176.094 -0.322 0.000 1.057 170 V CA 2.259 64.451 62.300 -0.180 0.000 1.032 170 V CB -0.627 31.182 31.823 -0.023 0.000 0.645 170 V HN 0.253 nan 8.190 nan 0.000 0.447 171 E N -0.213 119.819 120.200 -0.280 0.000 2.007 171 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 171 E C 0.352 176.690 176.600 -0.436 0.000 0.999 171 E CA 1.887 58.101 56.400 -0.310 0.000 0.811 171 E CB -2.101 27.450 29.700 -0.249 0.000 0.762 171 E HN 0.505 nan 8.360 nan 0.000 0.450 172 P HA -0.132 nan 4.420 nan 0.000 0.217 172 P C 1.828 178.857 177.300 -0.451 0.000 1.151 172 P CA 1.157 63.840 63.100 -0.696 0.000 0.849 172 P CB -0.094 30.892 31.700 -1.191 0.000 0.787 173 V N 0.808 120.425 119.914 -0.495 0.000 2.270 173 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 173 V C 3.003 178.678 176.094 -0.699 0.000 1.043 173 V CA 2.260 64.235 62.300 -0.541 0.000 1.014 173 V CB -1.253 30.191 31.823 -0.632 0.000 0.645 173 V HN 0.091 nan 8.190 nan 0.000 0.447 174 R N 0.958 120.915 120.500 -0.905 0.000 2.103 174 R HA -0.214 4.126 4.340 -0.000 0.000 0.242 174 R C 2.168 178.320 176.300 -0.246 0.000 1.142 174 R CA 2.118 57.813 56.100 -0.674 0.000 0.960 174 R CB -0.642 29.469 30.300 -0.316 0.000 0.858 174 R HN 0.437 nan 8.270 nan 0.000 0.439 175 A N 0.356 123.035 122.820 -0.234 0.000 1.877 175 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 175 A C 2.360 179.909 177.584 -0.057 0.000 1.186 175 A CA 1.771 53.730 52.037 -0.129 0.000 0.620 175 A CB -0.689 18.228 19.000 -0.137 0.000 0.822 175 A HN 0.235 nan 8.150 nan 0.000 0.443 176 V N -0.194 119.703 119.914 -0.029 0.000 2.358 176 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 176 V C 2.759 178.938 176.094 0.142 0.000 1.047 176 V CA 2.022 64.412 62.300 0.150 0.000 1.035 176 V CB -0.803 31.084 31.823 0.108 0.000 0.658 176 V HN 0.413 nan 8.190 nan 0.000 0.452 177 R N 0.206 120.734 120.500 0.045 0.000 2.080 177 R HA -0.163 4.177 4.340 -0.000 0.000 0.236 177 R C 2.219 178.575 176.300 0.094 0.000 1.137 177 R CA 1.716 57.880 56.100 0.107 0.000 0.943 177 R CB -0.726 29.691 30.300 0.195 0.000 0.846 177 R HN 0.623 nan 8.270 nan 0.000 0.431 178 E N -0.331 119.902 120.200 0.055 0.000 2.012 178 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 178 E C 2.067 178.642 176.600 -0.043 0.000 1.007 178 E CA 2.108 58.519 56.400 0.018 0.000 0.816 178 E CB -0.146 29.552 29.700 -0.004 0.000 0.762 178 E HN 0.145 nan 8.360 nan 0.000 0.451 179 R N -0.433 119.994 120.500 -0.123 0.000 2.066 179 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 179 R C 1.919 177.980 176.300 -0.398 0.000 1.131 179 R CA 1.724 57.629 56.100 -0.326 0.000 0.955 179 R CB -0.443 29.537 30.300 -0.532 0.000 0.851 179 R HN 0.185 nan 8.270 nan 0.000 0.432 180 F N -0.121 119.834 119.950 0.009 0.000 2.664 180 F HA 0.358 4.885 4.527 -0.000 0.000 0.296 180 F C 1.249 177.061 175.800 0.020 0.000 1.125 180 F CA 0.707 58.716 58.000 0.015 0.000 1.444 180 F CB 0.475 39.485 39.000 0.018 0.000 1.114 180 F HN 0.414 nan 8.300 nan 0.000 0.576 181 G N 0.356 109.239 108.800 0.138 0.000 2.541 181 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.686 181 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.686 181 G C -0.535 174.426 174.900 0.101 0.000 1.286 181 G CA -0.437 44.723 45.100 0.100 0.000 0.894 181 G HN 0.009 nan 8.290 nan 0.000 0.575 182 D N -0.237 120.209 120.400 0.076 0.000 2.349 182 D HA 0.135 4.775 4.640 -0.000 0.000 0.215 182 D C 1.362 177.697 176.300 0.058 0.000 1.016 182 D CA 0.743 54.784 54.000 0.069 0.000 0.870 182 D CB 0.236 41.067 40.800 0.052 0.000 0.917 182 D HN 0.403 nan 8.370 nan 0.000 0.524 183 D N 0.118 120.552 120.400 0.057 0.000 2.340 183 D HA 0.034 4.673 4.640 -0.000 0.000 0.217 183 D C 0.327 176.653 176.300 0.043 0.000 1.081 183 D CA 0.058 54.085 54.000 0.045 0.000 0.842 183 D CB 1.139 41.963 40.800 0.040 0.000 0.934 183 D HN 0.016 nan 8.370 nan 0.000 0.511 184 V N 1.528 121.474 119.914 0.053 0.000 2.686 184 V HA 0.082 4.201 4.120 -0.000 0.000 0.295 184 V C 0.900 177.003 176.094 0.016 0.000 1.055 184 V CA -0.580 61.743 62.300 0.037 0.000 1.050 184 V CB 1.687 33.539 31.823 0.048 0.000 0.984 184 V HN 0.044 nan 8.190 nan 0.000 0.482 185 L N 5.107 126.325 121.223 -0.007 0.000 2.342 185 L HA 0.347 4.686 4.340 -0.000 0.000 0.285 185 L C -0.424 176.417 176.870 -0.049 0.000 1.095 185 L CA 0.049 54.870 54.840 -0.031 0.000 0.843 185 L CB 0.655 42.684 42.059 -0.049 0.000 1.201 185 L HN 0.510 nan 8.230 nan 0.000 0.445 186 L N 5.431 126.633 121.223 -0.035 0.000 2.385 186 L HA 0.473 4.812 4.340 -0.000 0.000 0.273 186 L C -0.528 176.317 176.870 -0.043 0.000 0.990 186 L CA -0.014 54.803 54.840 -0.038 0.000 0.821 186 L CB 1.949 44.004 42.059 -0.006 0.000 1.279 186 L HN 0.674 nan 8.230 nan 0.000 0.412 187 Q N 3.665 123.430 119.800 -0.058 0.000 2.511 187 Q HA 0.803 5.143 4.340 -0.000 0.000 0.289 187 Q C -1.610 174.384 176.000 -0.010 0.000 1.021 187 Q CA -1.081 54.698 55.803 -0.040 0.000 0.785 187 Q CB 2.292 30.975 28.738 -0.091 0.000 1.472 187 Q HN 0.478 nan 8.270 nan 0.000 0.411 188 V N -2.043 117.887 119.914 0.027 0.000 3.019 188 V HA 0.743 4.862 4.120 -0.000 0.000 0.317 188 V C -1.203 174.957 176.094 0.111 0.000 1.094 188 V CA -0.709 61.626 62.300 0.059 0.000 1.000 188 V CB 1.882 33.732 31.823 0.045 0.000 1.060 188 V HN 0.910 nan 8.190 nan 0.000 0.443 189 D N 1.185 121.672 120.400 0.145 0.000 2.476 189 D HA 0.679 5.318 4.640 -0.000 0.000 0.251 189 D C 0.387 176.810 176.300 0.206 0.000 1.291 189 D CA 0.135 54.249 54.000 0.190 0.000 0.939 189 D CB 1.844 42.773 40.800 0.214 0.000 1.221 189 D HN 0.855 nan 8.370 nan 0.000 0.567 190 A N 3.622 126.585 122.820 0.239 0.000 2.169 190 A HA 0.091 4.410 4.320 -0.000 0.000 0.212 190 A C 0.929 178.659 177.584 0.244 0.000 1.153 190 A CA 0.206 52.423 52.037 0.301 0.000 0.756 190 A CB -0.722 18.576 19.000 0.496 0.000 0.813 190 A HN 0.797 nan 8.150 nan 0.000 0.471 191 N N -0.301 118.547 118.700 0.247 0.000 2.707 191 N HA -0.226 4.514 4.740 -0.000 0.000 0.253 191 N C 0.436 176.075 175.510 0.214 0.000 0.998 191 N CA 1.314 54.529 53.050 0.275 0.000 0.751 191 N CB -1.553 37.163 38.487 0.382 0.000 0.920 191 N HN 1.048 nan 8.380 nan 0.000 0.539 192 T N -6.178 108.491 114.554 0.191 0.000 5.888 192 T HA -0.335 4.015 4.350 -0.000 0.000 0.275 192 T C 0.983 175.752 174.700 0.114 0.000 2.123 192 T CA 1.575 63.766 62.100 0.151 0.000 3.523 192 T CB -1.806 67.111 68.868 0.081 0.000 1.240 192 T HN 0.804 nan 8.240 nan 0.000 1.133 193 A N -0.541 122.342 122.820 0.104 0.000 2.172 193 A HA 0.428 4.748 4.320 -0.000 0.000 0.216 193 A C 0.729 178.141 177.584 -0.287 0.000 1.154 193 A CA 0.954 52.926 52.037 -0.109 0.000 0.701 193 A CB -0.383 18.489 19.000 -0.214 0.000 0.789 193 A HN 0.872 nan 8.150 nan 0.000 0.465 194 Y N -1.134 119.184 120.300 0.031 0.000 2.631 194 Y HA 0.555 5.105 4.550 -0.000 0.000 0.328 194 Y C 0.839 176.728 175.900 -0.019 0.000 1.118 194 Y CA -0.289 57.816 58.100 0.009 0.000 1.206 194 Y CB 1.137 39.604 38.460 0.011 0.000 1.337 194 Y HN 0.060 nan 8.280 nan 0.000 0.515 195 T N -2.003 112.644 114.554 0.155 0.000 2.916 195 T HA 0.296 4.645 4.350 -0.000 0.000 0.292 195 T C 0.303 175.025 174.700 0.037 0.000 1.064 195 T CA -0.780 61.352 62.100 0.053 0.000 1.011 195 T CB 1.262 70.147 68.868 0.028 0.000 1.152 195 T HN 0.532 nan 8.240 nan 0.000 0.510 196 L N 2.258 123.473 121.223 -0.013 0.000 2.081 196 L HA 0.156 4.496 4.340 -0.000 0.000 0.212 196 L C 2.495 179.365 176.870 -0.000 0.000 1.080 196 L CA 2.668 57.493 54.840 -0.025 0.000 0.754 196 L CB -1.232 40.805 42.059 -0.038 0.000 0.893 196 L HN 1.015 nan 8.230 nan 0.000 0.433 197 G N -1.566 107.242 108.800 0.013 0.000 2.586 197 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.215 197 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.215 197 G C 0.994 175.917 174.900 0.038 0.000 1.128 197 G CA 0.778 45.890 45.100 0.020 0.000 0.774 197 G HN 0.498 nan 8.290 nan 0.000 0.543 198 D N 0.400 120.837 120.400 0.063 0.000 2.349 198 D HA 0.221 4.861 4.640 -0.000 0.000 0.214 198 D C 2.433 178.752 176.300 0.031 0.000 1.063 198 D CA 0.515 54.572 54.000 0.094 0.000 0.847 198 D CB 0.359 41.309 40.800 0.250 0.000 0.933 198 D HN 0.259 nan 8.370 nan 0.000 0.513 199 A N 2.431 125.253 122.820 0.002 0.000 1.915 199 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 199 A C -0.229 177.341 177.584 -0.023 0.000 1.198 199 A CA 1.607 53.629 52.037 -0.024 0.000 0.647 199 A CB -1.484 17.506 19.000 -0.016 0.000 0.825 199 A HN 0.197 nan 8.150 nan 0.000 0.456 200 P HA -0.146 nan 4.420 nan 0.000 0.217 200 P C 1.624 178.925 177.300 0.000 0.000 1.150 200 P CA 1.639 64.739 63.100 -0.001 0.000 0.832 200 P CB -0.062 31.643 31.700 0.008 0.000 0.787 201 Q N 0.126 119.931 119.800 0.008 0.000 2.084 201 Q HA -0.112 4.227 4.340 -0.000 0.000 0.202 201 Q C 1.995 177.976 176.000 -0.032 0.000 0.978 201 Q CA 1.605 57.416 55.803 0.014 0.000 0.844 201 Q CB -1.258 27.519 28.738 0.066 0.000 0.898 201 Q HN 0.168 nan 8.270 nan 0.000 0.426 202 L N -0.254 120.910 121.223 -0.098 0.000 2.201 202 L HA -0.010 4.330 4.340 -0.000 0.000 0.212 202 L C 2.332 179.166 176.870 -0.061 0.000 1.105 202 L CA 0.755 55.506 54.840 -0.149 0.000 0.775 202 L CB -0.736 41.177 42.059 -0.244 0.000 0.913 202 L HN 0.260 nan 8.230 nan 0.000 0.440 203 A N 0.246 123.044 122.820 -0.036 0.000 2.067 203 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 203 A C 2.313 179.897 177.584 0.001 0.000 1.158 203 A CA 1.027 53.055 52.037 -0.016 0.000 0.661 203 A CB -0.451 18.540 19.000 -0.015 0.000 0.801 203 A HN 0.323 nan 8.150 nan 0.000 0.452 204 R N -0.699 119.809 120.500 0.014 0.000 2.328 204 R HA 0.092 4.431 4.340 -0.000 0.000 0.207 204 R C 0.975 177.350 176.300 0.125 0.000 1.056 204 R CA 0.564 56.694 56.100 0.049 0.000 1.016 204 R CB -0.244 30.088 30.300 0.054 0.000 0.872 204 R HN 0.510 nan 8.270 nan 0.000 0.471 205 L N -0.528 120.761 121.223 0.111 0.000 2.585 205 L HA 0.040 4.380 4.340 -0.000 0.000 0.226 205 L C 0.991 177.969 176.870 0.180 0.000 1.113 205 L CA -0.056 54.922 54.840 0.230 0.000 0.876 205 L CB 0.048 42.170 42.059 0.105 0.000 1.072 205 L HN -0.002 nan 8.230 nan 0.000 0.468 206 D N 1.308 121.734 120.400 0.044 0.000 2.170 206 D HA -0.182 4.458 4.640 -0.000 0.000 0.193 206 D C -0.545 175.709 176.300 -0.077 0.000 1.004 206 D CA 1.596 55.587 54.000 -0.015 0.000 0.860 206 D CB -1.054 39.725 40.800 -0.035 0.000 0.931 206 D HN 0.282 nan 8.370 nan 0.000 0.448 207 P HA -0.042 nan 4.420 nan 0.000 0.229 207 P C 0.974 177.976 177.300 -0.497 0.000 1.160 207 P CA 0.667 63.521 63.100 -0.410 0.000 0.777 207 P CB -0.196 31.103 31.700 -0.669 0.000 0.814 208 F N -0.245 119.694 119.950 -0.019 0.000 2.797 208 F HA 0.323 4.850 4.527 -0.000 0.000 0.302 208 F C 1.692 177.485 175.800 -0.012 0.000 1.130 208 F CA 0.510 58.501 58.000 -0.016 0.000 1.387 208 F CB -0.854 38.133 39.000 -0.021 0.000 1.107 208 F HN -0.037 nan 8.300 nan 0.000 0.577 209 G N 1.732 110.583 108.800 0.085 0.000 2.273 209 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.280 209 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.280 209 G C 0.118 175.055 174.900 0.062 0.000 1.047 209 G CA -0.182 44.951 45.100 0.054 0.000 0.869 209 G HN 0.317 nan 8.290 nan 0.000 0.502 210 L N -0.914 120.354 121.223 0.076 0.000 2.467 210 L HA 0.269 4.609 4.340 -0.000 0.000 0.270 210 L C 2.276 179.160 176.870 0.023 0.000 1.205 210 L CA -0.724 54.144 54.840 0.046 0.000 0.828 210 L CB 0.328 42.416 42.059 0.049 0.000 1.101 210 L HN 0.083 nan 8.230 nan 0.000 0.479 211 L N 2.278 123.500 121.223 -0.002 0.000 2.141 211 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 211 L C 0.120 176.997 176.870 0.011 0.000 1.094 211 L CA 0.965 55.799 54.840 -0.010 0.000 0.763 211 L CB -0.345 41.681 42.059 -0.055 0.000 0.908 211 L HN 0.598 nan 8.230 nan 0.000 0.437 212 L N -3.875 117.359 121.223 0.019 0.000 3.020 212 L HA 0.502 4.842 4.340 -0.000 0.000 0.273 212 L C -1.086 175.820 176.870 0.061 0.000 1.018 212 L CA -0.758 54.112 54.840 0.051 0.000 0.950 212 L CB 1.753 43.865 42.059 0.088 0.000 1.510 212 L HN -0.135 nan 8.230 nan 0.000 0.404 213 I N 0.651 121.267 120.570 0.077 0.000 2.418 213 I HA 0.553 4.723 4.170 -0.000 0.000 0.287 213 I C -0.701 175.491 176.117 0.125 0.000 1.008 213 I CA -0.117 61.233 61.300 0.082 0.000 1.104 213 I CB 1.557 39.582 38.000 0.041 0.000 1.264 213 I HN 0.894 nan 8.210 nan 0.000 0.438 214 E N 5.902 126.198 120.200 0.160 0.000 2.197 214 E HA 0.143 4.492 4.350 -0.000 0.000 0.281 214 E C -0.224 176.490 176.600 0.190 0.000 0.995 214 E CA -0.567 55.950 56.400 0.194 0.000 0.808 214 E CB 1.089 30.951 29.700 0.271 0.000 1.093 214 E HN 0.657 nan 8.360 nan 0.000 0.394 215 Q N 3.658 123.553 119.800 0.159 0.000 2.402 215 Q HA -0.175 4.165 4.340 -0.000 0.000 0.356 215 Q C -1.939 174.242 176.000 0.302 0.000 1.344 215 Q CA 0.602 56.524 55.803 0.198 0.000 1.062 215 Q CB -0.347 28.479 28.738 0.148 0.000 1.268 215 Q HN 0.504 nan 8.270 nan 0.000 0.383 216 P HA -0.156 nan 4.420 nan 0.000 0.216 216 P C 0.187 177.637 177.300 0.251 0.000 1.150 216 P CA 1.388 64.643 63.100 0.258 0.000 0.837 216 P CB 0.151 31.914 31.700 0.105 0.000 0.786 217 L N -0.846 120.482 121.223 0.175 0.000 2.335 217 L HA 0.368 4.708 4.340 -0.000 0.000 0.268 217 L C 0.910 177.872 176.870 0.153 0.000 1.016 217 L CA -1.545 53.293 54.840 -0.004 0.000 0.805 217 L CB 0.319 42.130 42.059 -0.413 0.000 1.311 217 L HN -0.115 nan 8.230 nan 0.000 0.456 218 E N -0.344 119.900 120.200 0.073 0.000 2.438 218 E HA -0.089 4.261 4.350 -0.000 0.000 0.261 218 E C 0.499 177.167 176.600 0.113 0.000 1.103 218 E CA -0.217 56.225 56.400 0.069 0.000 0.959 218 E CB 0.816 30.527 29.700 0.019 0.000 0.958 218 E HN 0.694 nan 8.360 nan 0.000 0.447 219 E N 1.457 121.675 120.200 0.031 0.000 2.086 219 E HA -0.320 4.030 4.350 -0.000 0.000 0.200 219 E C 1.241 177.847 176.600 0.010 0.000 1.012 219 E CA 2.197 58.591 56.400 -0.010 0.000 0.812 219 E CB 0.063 29.714 29.700 -0.082 0.000 0.743 219 E HN 0.642 nan 8.360 nan 0.000 0.453 220 E N 0.433 120.638 120.200 0.009 0.000 2.427 220 E HA -0.056 4.294 4.350 -0.000 0.000 0.196 220 E C 0.148 176.772 176.600 0.040 0.000 1.028 220 E CA 0.628 57.034 56.400 0.009 0.000 0.864 220 E CB 0.110 29.806 29.700 -0.007 0.000 0.813 220 E HN 0.136 nan 8.360 nan 0.000 0.514 221 D N 0.301 120.750 120.400 0.082 0.000 2.713 221 D HA 0.031 4.671 4.640 -0.000 0.000 0.229 221 D C 0.697 177.130 176.300 0.220 0.000 1.136 221 D CA -0.040 54.016 54.000 0.094 0.000 1.010 221 D CB 0.193 41.002 40.800 0.015 0.000 1.084 221 D HN -0.142 nan 8.370 nan 0.000 0.495 222 V N 1.638 121.639 119.914 0.144 0.000 2.244 222 V HA -0.230 3.889 4.120 -0.000 0.000 0.244 222 V C 2.587 178.752 176.094 0.117 0.000 1.042 222 V CA 1.143 63.524 62.300 0.134 0.000 1.006 222 V CB -0.484 31.360 31.823 0.035 0.000 0.641 222 V HN 0.513 nan 8.190 nan 0.000 0.446 223 L N 0.549 121.808 121.223 0.060 0.000 2.127 223 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 223 L C 2.616 179.506 176.870 0.033 0.000 1.089 223 L CA 1.707 56.569 54.840 0.036 0.000 0.757 223 L CB -1.232 40.837 42.059 0.016 0.000 0.899 223 L HN 0.522 nan 8.230 nan 0.000 0.434 224 G N -0.976 107.837 108.800 0.021 0.000 2.418 224 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 224 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 224 G C 1.172 176.039 174.900 -0.055 0.000 1.158 224 G CA 0.709 45.784 45.100 -0.042 0.000 0.771 224 G HN 0.411 nan 8.290 nan 0.000 0.545 225 H N 0.656 119.728 119.070 0.003 0.000 2.387 225 H HA 0.140 4.696 4.556 -0.000 0.000 0.299 225 H C 2.834 178.161 175.328 -0.001 0.000 1.090 225 H CA 1.266 57.316 56.048 0.004 0.000 1.332 225 H CB -0.016 29.748 29.762 0.004 0.000 1.386 225 H HN 0.411 nan 8.280 nan 0.000 0.516 226 A N 0.781 123.670 122.820 0.116 0.000 1.902 226 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 226 A C 2.226 179.830 177.584 0.034 0.000 1.181 226 A CA 1.643 53.715 52.037 0.058 0.000 0.623 226 A CB -0.180 18.841 19.000 0.035 0.000 0.818 226 A HN 0.266 nan 8.150 nan 0.000 0.443 227 E N -0.302 119.910 120.200 0.021 0.000 2.051 227 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 227 E C 1.988 178.589 176.600 0.001 0.000 0.991 227 E CA 1.249 57.651 56.400 0.004 0.000 0.799 227 E CB -0.546 29.150 29.700 -0.007 0.000 0.748 227 E HN 0.471 nan 8.360 nan 0.000 0.449 228 L N 0.819 122.039 121.223 -0.005 0.000 2.042 228 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 228 L C 2.164 179.040 176.870 0.010 0.000 1.076 228 L CA 2.348 57.181 54.840 -0.010 0.000 0.749 228 L CB -0.860 41.176 42.059 -0.038 0.000 0.893 228 L HN 0.083 nan 8.230 nan 0.000 0.432 229 A N -0.557 122.282 122.820 0.032 0.000 1.978 229 A HA -0.237 4.082 4.320 -0.000 0.000 0.220 229 A C 2.415 180.009 177.584 0.016 0.000 1.170 229 A CA 1.870 53.926 52.037 0.032 0.000 0.636 229 A CB -0.599 18.425 19.000 0.040 0.000 0.810 229 A HN 0.540 nan 8.150 nan 0.000 0.448 230 R N -1.315 119.192 120.500 0.011 0.000 2.307 230 R HA 0.088 4.428 4.340 -0.000 0.000 0.199 230 R C 1.660 177.960 176.300 0.001 0.000 1.000 230 R CA 0.713 56.816 56.100 0.005 0.000 1.023 230 R CB 0.010 30.313 30.300 0.004 0.000 0.908 230 R HN 0.480 nan 8.270 nan 0.000 0.473 231 R N -0.201 120.298 120.500 -0.001 0.000 2.373 231 R HA 0.238 4.578 4.340 -0.000 0.000 0.221 231 R C 0.539 176.834 176.300 -0.008 0.000 0.893 231 R CA 0.098 56.194 56.100 -0.006 0.000 1.049 231 R CB 0.596 30.890 30.300 -0.009 0.000 1.119 231 R HN 0.150 nan 8.270 nan 0.000 0.535 232 I N -3.218 117.349 120.570 -0.005 0.000 2.957 232 I HA 0.336 4.506 4.170 -0.000 0.000 0.310 232 I C 0.315 176.432 176.117 -0.001 0.000 1.063 232 I CA -0.994 60.302 61.300 -0.007 0.000 1.033 232 I CB 2.183 40.176 38.000 -0.012 0.000 1.230 232 I HN -0.184 nan 8.210 nan 0.000 0.447 233 Q N 0.683 120.482 119.800 -0.002 0.000 2.297 233 Q HA 0.116 4.455 4.340 -0.000 0.000 0.203 233 Q C 0.073 176.078 176.000 0.009 0.000 0.931 233 Q CA 0.615 56.418 55.803 -0.000 0.000 0.885 233 Q CB 0.381 29.114 28.738 -0.008 0.000 0.991 233 Q HN 0.769 nan 8.270 nan 0.000 0.498 234 T N 3.911 118.473 114.554 0.013 0.000 2.853 234 T HA 0.108 4.458 4.350 -0.000 0.000 0.298 234 T C -2.431 172.286 174.700 0.029 0.000 0.978 234 T CA -0.977 61.137 62.100 0.023 0.000 1.152 234 T CB 0.581 69.465 68.868 0.026 0.000 0.914 234 T HN 0.006 nan 8.240 nan 0.000 0.539 235 P HA 0.121 nan 4.420 nan 0.000 0.266 235 P C -0.222 177.112 177.300 0.056 0.000 1.195 235 P CA -0.340 62.784 63.100 0.041 0.000 0.768 235 P CB 0.325 32.049 31.700 0.041 0.000 0.838 236 I N 2.655 123.259 120.570 0.057 0.000 2.395 236 I HA 0.170 4.340 4.170 -0.000 0.000 0.289 236 I C 0.662 176.814 176.117 0.059 0.000 1.023 236 I CA -0.521 60.821 61.300 0.070 0.000 1.350 236 I CB 0.387 38.436 38.000 0.082 0.000 1.409 236 I HN 0.374 nan 8.210 nan 0.000 0.507 237 C N 7.911 127.257 119.300 0.078 0.000 2.408 237 C HA 0.677 5.137 4.460 -0.000 0.000 0.321 237 C C -0.289 174.709 174.990 0.014 0.000 1.245 237 C CA -0.553 58.517 59.018 0.087 0.000 1.523 237 C CB 0.423 28.299 27.740 0.228 0.000 2.178 237 C HN 0.722 nan 8.230 nan 0.000 0.488 238 L N 5.115 126.298 121.223 -0.066 0.000 2.331 238 L HA 0.497 4.837 4.340 -0.000 0.000 0.275 238 L C 0.265 177.073 176.870 -0.104 0.000 1.022 238 L CA -0.118 54.640 54.840 -0.137 0.000 0.812 238 L CB 1.803 43.731 42.059 -0.219 0.000 1.257 238 L HN 0.796 nan 8.230 nan 0.000 0.435 239 D N 0.415 120.774 120.400 -0.067 0.000 3.054 239 D HA -0.028 4.612 4.640 -0.000 0.000 0.209 239 D C 1.385 177.671 176.300 -0.022 0.000 1.527 239 D CA 0.325 54.304 54.000 -0.036 0.000 1.427 239 D CB 0.296 41.138 40.800 0.071 0.000 1.059 239 D HN 0.480 nan 8.370 nan 0.000 0.243 240 E N 0.467 120.656 120.200 -0.019 0.000 2.114 240 E HA -0.114 4.236 4.350 -0.000 0.000 0.199 240 E C 2.127 178.658 176.600 -0.115 0.000 1.008 240 E CA 1.737 58.056 56.400 -0.136 0.000 0.810 240 E CB -0.283 29.272 29.700 -0.243 0.000 0.739 240 E HN 0.119 nan 8.360 nan 0.000 0.456 241 S N -0.143 115.494 115.700 -0.105 0.000 2.442 241 S HA -0.056 4.414 4.470 -0.000 0.000 0.236 241 S C 0.683 175.228 174.600 -0.091 0.000 1.007 241 S CA 0.435 58.575 58.200 -0.101 0.000 0.965 241 S CB -0.020 63.098 63.200 -0.138 0.000 0.773 241 S HN 0.158 nan 8.310 nan 0.000 0.504 242 I N 3.179 123.695 120.570 -0.091 0.000 2.213 242 I HA 0.077 4.247 4.170 -0.000 0.000 0.295 242 I C 1.171 177.251 176.117 -0.062 0.000 1.172 242 I CA 0.054 61.305 61.300 -0.082 0.000 1.443 242 I CB -0.383 37.557 38.000 -0.099 0.000 1.491 242 I HN 0.076 nan 8.210 nan 0.000 0.652 243 V N 2.115 121.996 119.914 -0.054 0.000 3.608 243 V HA 0.224 4.344 4.120 -0.000 0.000 0.269 243 V C 0.753 176.827 176.094 -0.034 0.000 1.245 243 V CA 0.487 62.762 62.300 -0.041 0.000 1.138 243 V CB -0.687 31.110 31.823 -0.042 0.000 0.841 243 V HN 0.695 nan 8.190 nan 0.000 0.451 244 S N -2.084 113.594 115.700 -0.038 0.000 2.615 244 S HA 0.763 5.233 4.470 -0.000 0.000 0.268 244 S C 0.578 175.159 174.600 -0.031 0.000 1.146 244 S CA -0.035 58.148 58.200 -0.029 0.000 0.818 244 S CB 1.079 64.266 63.200 -0.022 0.000 1.111 244 S HN 0.892 nan 8.310 nan 0.000 0.465 245 A N 1.177 123.986 122.820 -0.019 0.000 1.933 245 A HA -0.001 4.318 4.320 -0.000 0.000 0.218 245 A C 2.136 179.707 177.584 -0.021 0.000 1.175 245 A CA 1.662 53.691 52.037 -0.014 0.000 0.628 245 A CB -0.885 18.117 19.000 0.003 0.000 0.814 245 A HN 0.835 nan 8.150 nan 0.000 0.444 246 R N -0.355 120.133 120.500 -0.019 0.000 2.081 246 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 246 R C 2.324 178.601 176.300 -0.039 0.000 1.131 246 R CA 1.437 57.523 56.100 -0.023 0.000 0.960 246 R CB -0.422 29.868 30.300 -0.017 0.000 0.856 246 R HN 0.444 nan 8.270 nan 0.000 0.436 247 A N 0.803 123.598 122.820 -0.042 0.000 1.908 247 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 247 A C 2.358 179.900 177.584 -0.071 0.000 1.181 247 A CA 1.864 53.869 52.037 -0.053 0.000 0.627 247 A CB -0.798 18.170 19.000 -0.053 0.000 0.818 247 A HN 0.554 nan 8.150 nan 0.000 0.445 248 A N -0.120 122.656 122.820 -0.072 0.000 1.858 248 A HA 0.118 4.437 4.320 -0.000 0.000 0.216 248 A C 2.563 180.072 177.584 -0.125 0.000 1.190 248 A CA 2.398 54.379 52.037 -0.093 0.000 0.617 248 A CB -1.211 17.740 19.000 -0.081 0.000 0.827 248 A HN 1.161 nan 8.150 nan 0.000 0.443 249 A N -0.028 122.724 122.820 -0.113 0.000 1.908 249 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 249 A C 1.789 179.271 177.584 -0.170 0.000 1.181 249 A CA 2.107 54.042 52.037 -0.170 0.000 0.627 249 A CB -0.721 18.237 19.000 -0.070 0.000 0.818 249 A HN 0.487 nan 8.150 nan 0.000 0.445 250 D N -0.001 120.337 120.400 -0.103 0.000 2.097 250 D HA -0.066 4.574 4.640 -0.000 0.000 0.195 250 D C 2.280 178.526 176.300 -0.089 0.000 0.989 250 D CA 1.685 55.636 54.000 -0.081 0.000 0.827 250 D CB -0.566 40.201 40.800 -0.055 0.000 0.966 250 D HN 0.421 nan 8.370 nan 0.000 0.456 251 A N 0.589 123.352 122.820 -0.095 0.000 1.908 251 A HA -0.153 4.166 4.320 -0.000 0.000 0.218 251 A C 2.401 179.922 177.584 -0.104 0.000 1.181 251 A CA 1.033 53.017 52.037 -0.089 0.000 0.627 251 A CB -0.747 18.194 19.000 -0.099 0.000 0.818 251 A HN 0.211 nan 8.150 nan 0.000 0.445 252 I N -0.601 119.875 120.570 -0.157 0.000 2.202 252 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 252 I C 2.417 178.434 176.117 -0.166 0.000 1.091 252 I CA 1.554 62.740 61.300 -0.190 0.000 1.368 252 I CB -0.265 37.532 38.000 -0.339 0.000 1.058 252 I HN 0.269 nan 8.210 nan 0.000 0.410 253 K N 0.620 120.910 120.400 -0.182 0.000 2.147 253 K HA -0.110 4.209 4.320 -0.000 0.000 0.205 253 K C 1.827 178.391 176.600 -0.060 0.000 1.049 253 K CA 1.183 57.404 56.287 -0.110 0.000 0.936 253 K CB -0.114 32.335 32.500 -0.084 0.000 0.722 253 K HN 0.345 nan 8.250 nan 0.000 0.446 254 L N -0.300 120.889 121.223 -0.058 0.000 2.591 254 L HA 0.091 4.431 4.340 -0.000 0.000 0.228 254 L C 1.033 177.891 176.870 -0.019 0.000 1.133 254 L CA 0.253 55.075 54.840 -0.031 0.000 0.880 254 L CB -0.005 42.040 42.059 -0.023 0.000 1.033 254 L HN 0.407 nan 8.230 nan 0.000 0.450 255 G N 0.056 108.840 108.800 -0.028 0.000 2.143 255 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.248 255 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.248 255 G C 0.852 175.752 174.900 -0.000 0.000 0.991 255 G CA 0.401 45.494 45.100 -0.013 0.000 0.689 255 G HN 0.456 nan 8.290 nan 0.000 0.522 256 A N -1.348 121.468 122.820 -0.007 0.000 2.218 256 A HA 0.682 5.002 4.320 -0.000 0.000 0.209 256 A C 0.964 178.543 177.584 -0.009 0.000 1.168 256 A CA 1.355 53.403 52.037 0.018 0.000 0.804 256 A CB 0.555 19.564 19.000 0.015 0.000 0.834 256 A HN 1.665 nan 8.150 nan 0.000 0.482 257 V N -1.213 118.682 119.914 -0.030 0.000 3.077 257 V HA 0.323 4.443 4.120 -0.000 0.000 0.299 257 V C -0.547 175.533 176.094 -0.023 0.000 1.276 257 V CA -0.456 61.822 62.300 -0.037 0.000 0.993 257 V CB 2.075 33.851 31.823 -0.078 0.000 1.076 257 V HN 0.440 nan 8.190 nan 0.000 0.434 258 Q N 3.948 123.748 119.800 -0.002 0.000 2.322 258 Q HA 0.499 4.838 4.340 -0.000 0.000 0.250 258 Q C -0.530 175.481 176.000 0.018 0.000 0.853 258 Q CA 0.402 56.210 55.803 0.009 0.000 0.951 258 Q CB 1.748 30.500 28.738 0.022 0.000 1.114 258 Q HN 0.692 nan 8.270 nan 0.000 0.523 259 I N 0.452 121.041 120.570 0.031 0.000 2.722 259 I HA 0.339 4.509 4.170 -0.000 0.000 0.295 259 I C -1.063 175.066 176.117 0.019 0.000 1.161 259 I CA -1.014 60.324 61.300 0.063 0.000 1.032 259 I CB 2.735 40.836 38.000 0.168 0.000 1.244 259 I HN -0.299 nan 8.210 nan 0.000 0.421 260 V N 4.277 124.154 119.914 -0.060 0.000 2.540 260 V HA 0.396 4.516 4.120 -0.000 0.000 0.302 260 V C -0.342 175.505 176.094 -0.411 0.000 1.035 260 V CA -0.741 61.453 62.300 -0.176 0.000 0.873 260 V CB 2.071 33.792 31.823 -0.170 0.000 0.992 260 V HN 0.740 nan 8.190 nan 0.000 0.428 261 N N 5.190 123.562 118.700 -0.547 0.000 2.419 261 N HA 0.354 5.094 4.740 -0.000 0.000 0.264 261 N C -0.860 174.341 175.510 -0.515 0.000 1.031 261 N CA -0.241 52.216 53.050 -0.988 0.000 0.951 261 N CB 0.981 38.895 38.487 -0.955 0.000 1.101 261 N HN 0.624 nan 8.380 nan 0.000 0.488 262 I N 3.250 123.581 120.570 -0.398 0.000 2.312 262 I HA 0.206 4.375 4.170 -0.000 0.000 0.290 262 I C 0.253 176.304 176.117 -0.110 0.000 1.008 262 I CA -0.513 60.694 61.300 -0.154 0.000 1.226 262 I CB 0.858 38.867 38.000 0.016 0.000 1.371 262 I HN 0.250 nan 8.210 nan 0.000 0.468 263 K N 8.191 128.523 120.400 -0.113 0.000 2.449 263 K HA 0.311 4.631 4.320 -0.000 0.000 0.257 263 K C -1.888 174.629 176.600 -0.139 0.000 0.989 263 K CA -1.591 54.632 56.287 -0.107 0.000 0.916 263 K CB 1.974 34.426 32.500 -0.080 0.000 1.136 263 K HN 0.201 nan 8.250 nan 0.000 0.439 264 P HA -0.238 nan 4.420 nan 0.000 0.216 264 P C 1.310 178.444 177.300 -0.277 0.000 1.157 264 P CA 1.395 64.241 63.100 -0.423 0.000 0.880 264 P CB 0.231 31.240 31.700 -1.152 0.000 0.791 265 G N -0.268 108.413 108.800 -0.198 0.000 2.418 265 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 265 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 265 G C 1.791 176.671 174.900 -0.032 0.000 1.158 265 G CA 0.699 45.754 45.100 -0.076 0.000 0.771 265 G HN 0.219 nan 8.290 nan 0.000 0.545 266 R N 0.315 120.802 120.500 -0.022 0.000 2.117 266 R HA -0.098 4.242 4.340 -0.000 0.000 0.243 266 R C 2.452 178.750 176.300 -0.002 0.000 1.143 266 R CA 1.850 57.968 56.100 0.029 0.000 0.968 266 R CB -0.256 30.081 30.300 0.062 0.000 0.863 266 R HN 0.439 nan 8.270 nan 0.000 0.444 267 V N -3.503 116.390 119.914 -0.035 0.000 3.649 267 V HA 0.388 4.507 4.120 -0.000 0.000 0.275 267 V C 0.851 176.931 176.094 -0.024 0.000 1.281 267 V CA 0.560 62.839 62.300 -0.034 0.000 1.143 267 V CB 0.278 32.074 31.823 -0.045 0.000 0.892 267 V HN 0.422 nan 8.190 nan 0.000 0.441 268 G N -1.282 107.508 108.800 -0.018 0.000 2.131 268 G HA2 0.322 4.282 3.960 -0.000 0.000 0.223 268 G HA3 0.322 4.282 3.960 -0.000 0.000 0.223 268 G C 0.753 175.657 174.900 0.006 0.000 0.990 268 G CA -0.126 44.977 45.100 0.006 0.000 0.671 268 G HN 2.341 nan 8.290 nan 0.000 0.521 269 G N -2.611 106.167 108.800 -0.037 0.000 2.334 269 G HA2 0.336 4.295 3.960 -0.000 0.000 0.566 269 G HA3 0.336 4.295 3.960 -0.000 0.000 0.566 269 G C 0.052 174.902 174.900 -0.084 0.000 1.413 269 G CA 0.204 45.300 45.100 -0.006 0.000 0.993 269 G HN 0.629 nan 8.290 nan 0.000 0.642 270 Y N 0.241 120.566 120.300 0.041 0.000 2.352 270 Y HA 0.050 4.600 4.550 -0.000 0.000 0.292 270 Y C 2.952 178.844 175.900 -0.013 0.000 1.136 270 Y CA 1.714 59.830 58.100 0.026 0.000 1.227 270 Y CB -0.141 38.338 38.460 0.032 0.000 0.991 270 Y HN 0.426 nan 8.280 nan 0.000 0.545 271 L N -0.538 120.737 121.223 0.087 0.000 2.027 271 L HA -0.202 4.138 4.340 -0.000 0.000 0.206 271 L C 2.443 179.333 176.870 0.032 0.000 1.074 271 L CA 1.752 56.613 54.840 0.034 0.000 0.745 271 L CB -0.492 41.572 42.059 0.009 0.000 0.898 271 L HN 0.132 nan 8.230 nan 0.000 0.433 272 E N 0.616 120.829 120.200 0.022 0.000 2.106 272 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 272 E C 2.119 178.731 176.600 0.021 0.000 0.984 272 E CA 1.358 57.767 56.400 0.015 0.000 0.806 272 E CB -0.074 29.627 29.700 0.001 0.000 0.750 272 E HN 0.353 nan 8.360 nan 0.000 0.458 273 A N 1.163 123.987 122.820 0.006 0.000 1.908 273 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 273 A C 2.285 179.939 177.584 0.118 0.000 1.181 273 A CA 1.826 53.881 52.037 0.030 0.000 0.627 273 A CB -0.683 18.295 19.000 -0.037 0.000 0.818 273 A HN 0.267 nan 8.150 nan 0.000 0.445 274 R N -0.385 120.181 120.500 0.110 0.000 2.081 274 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 274 R C 2.355 178.745 176.300 0.151 0.000 1.131 274 R CA 1.583 57.764 56.100 0.134 0.000 0.960 274 R CB -0.270 30.076 30.300 0.077 0.000 0.856 274 R HN 0.559 nan 8.270 nan 0.000 0.436 275 R N -0.188 120.367 120.500 0.092 0.000 2.081 275 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 275 R C 2.337 178.681 176.300 0.072 0.000 1.131 275 R CA 1.490 57.634 56.100 0.073 0.000 0.960 275 R CB -0.347 29.978 30.300 0.042 0.000 0.856 275 R HN 0.093 nan 8.270 nan 0.000 0.436 276 V N 0.884 120.836 119.914 0.063 0.000 2.287 276 V HA -0.330 3.789 4.120 -0.000 0.000 0.248 276 V C 2.478 178.586 176.094 0.023 0.000 1.053 276 V CA 2.106 64.423 62.300 0.027 0.000 1.027 276 V CB -0.872 30.952 31.823 0.002 0.000 0.646 276 V HN 0.483 nan 8.190 nan 0.000 0.447 277 H N 0.392 119.454 119.070 -0.015 0.000 2.289 277 H HA -0.206 4.349 4.556 -0.000 0.000 0.296 277 H C 2.081 177.395 175.328 -0.023 0.000 1.091 277 H CA 2.286 58.304 56.048 -0.049 0.000 1.274 277 H CB -0.112 29.706 29.762 0.093 0.000 1.364 277 H HN 0.430 nan 8.280 nan 0.000 0.490 278 D N 0.161 120.600 120.400 0.065 0.000 2.144 278 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 278 D C 2.538 178.817 176.300 -0.036 0.000 0.978 278 D CA 0.711 54.717 54.000 0.010 0.000 0.833 278 D CB -0.202 40.660 40.800 0.103 0.000 0.961 278 D HN 0.239 nan 8.370 nan 0.000 0.470 279 V N 0.609 120.525 119.914 0.002 0.000 2.358 279 V HA -0.239 3.880 4.120 -0.000 0.000 0.246 279 V C 2.649 178.793 176.094 0.083 0.000 1.047 279 V CA 1.203 63.534 62.300 0.052 0.000 1.035 279 V CB -0.366 31.490 31.823 0.055 0.000 0.658 279 V HN 0.283 nan 8.190 nan 0.000 0.452 280 C N 0.101 119.385 119.300 -0.027 0.000 2.432 280 C HA -0.074 4.385 4.460 -0.000 0.000 0.277 280 C C 3.092 178.040 174.990 -0.071 0.000 1.249 280 C CA 0.688 59.678 59.018 -0.046 0.000 1.725 280 C CB -1.344 26.312 27.740 -0.141 0.000 2.028 280 C HN 0.631 nan 8.230 nan 0.000 0.477 281 A N 0.796 123.501 122.820 -0.191 0.000 1.892 281 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 281 A C 2.365 179.885 177.584 -0.108 0.000 1.188 281 A CA 2.277 54.204 52.037 -0.183 0.000 0.631 281 A CB -1.021 17.821 19.000 -0.262 0.000 0.822 281 A HN 0.624 nan 8.150 nan 0.000 0.447 282 A N -1.838 120.916 122.820 -0.110 0.000 2.076 282 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 282 A C 1.781 179.180 177.584 -0.308 0.000 1.160 282 A CA 1.482 53.409 52.037 -0.183 0.000 0.653 282 A CB -0.730 18.153 19.000 -0.194 0.000 0.801 282 A HN 0.694 nan 8.150 nan 0.000 0.455 283 H N -1.484 117.552 119.070 -0.058 0.000 2.549 283 H HA 0.259 4.814 4.556 -0.000 0.000 0.279 283 H C 1.512 176.814 175.328 -0.045 0.000 1.018 283 H CA 0.473 56.493 56.048 -0.046 0.000 1.175 283 H CB 0.086 29.820 29.762 -0.047 0.000 1.485 283 H HN 0.602 nan 8.280 nan 0.000 0.543 284 G N 1.733 110.542 108.800 0.014 0.000 2.198 284 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 284 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 284 G C 0.069 174.972 174.900 0.006 0.000 1.025 284 G CA -0.026 45.075 45.100 0.002 0.000 0.769 284 G HN 0.232 nan 8.290 nan 0.000 0.507 285 I N 1.207 121.777 120.570 -0.000 0.000 2.307 285 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 285 I C -1.980 174.101 176.117 -0.061 0.000 1.021 285 I CA -2.775 58.514 61.300 -0.019 0.000 1.224 285 I CB 1.076 39.062 38.000 -0.024 0.000 1.376 285 I HN -0.140 nan 8.210 nan 0.000 0.470 286 P HA 0.190 nan 4.420 nan 0.000 0.272 286 P C -0.393 176.865 177.300 -0.071 0.000 1.223 286 P CA -0.056 63.020 63.100 -0.041 0.000 0.784 286 P CB 0.935 32.654 31.700 0.030 0.000 0.923 287 V N -0.683 119.132 119.914 -0.164 0.000 3.074 287 V HA 0.884 5.004 4.120 -0.000 0.000 0.314 287 V C -1.279 174.754 176.094 -0.102 0.000 1.117 287 V CA -0.887 61.247 62.300 -0.277 0.000 1.014 287 V CB 2.506 33.963 31.823 -0.609 0.000 1.057 287 V HN 0.768 nan 8.190 nan 0.000 0.438 288 W N -0.024 121.198 121.300 -0.130 0.000 3.167 288 W HA 0.663 5.323 4.660 -0.000 0.000 0.324 288 W C -1.345 175.361 176.519 0.310 0.000 1.230 288 W CA -1.304 56.130 57.345 0.148 0.000 1.184 288 W CB 1.052 30.579 29.460 0.112 0.000 1.414 288 W HN 0.881 nan 8.180 nan 0.000 0.551 289 C N 2.947 122.658 119.300 0.684 0.000 2.499 289 C HA 0.687 5.146 4.460 -0.000 0.000 0.386 289 C C 1.161 176.293 174.990 0.237 0.000 1.293 289 C CA 0.763 60.008 59.018 0.377 0.000 1.884 289 C CB -0.629 27.246 27.740 0.225 0.000 2.509 289 C HN 0.802 nan 8.230 nan 0.000 0.566 290 G N 3.809 112.579 108.800 -0.050 0.000 2.528 290 G HA2 0.633 4.593 3.960 -0.000 0.000 0.289 290 G HA3 0.633 4.593 3.960 -0.000 0.000 0.289 290 G C -0.139 174.790 174.900 0.049 0.000 1.192 290 G CA -0.007 45.074 45.100 -0.033 0.000 0.921 290 G HN 1.204 nan 8.290 nan 0.000 0.512 291 G N -0.763 108.074 108.800 0.062 0.000 2.524 291 G HA2 0.488 4.448 3.960 -0.000 0.000 0.310 291 G HA3 0.488 4.448 3.960 -0.000 0.000 0.310 291 G C -0.218 174.646 174.900 -0.061 0.000 1.279 291 G CA -0.611 44.492 45.100 0.006 0.000 0.974 291 G HN 0.365 nan 8.290 nan 0.000 0.484 292 M N 2.338 121.876 119.600 -0.104 0.000 2.911 292 M HA 0.308 4.788 4.480 -0.000 0.000 0.381 292 M C 0.728 176.911 176.300 -0.195 0.000 1.287 292 M CA -0.533 54.674 55.300 -0.154 0.000 0.858 292 M CB -0.655 31.858 32.600 -0.145 0.000 1.385 292 M HN 0.644 nan 8.290 nan 0.000 0.504 293 I N 0.871 121.251 120.570 -0.317 0.000 6.532 293 I HA -0.337 3.833 4.170 -0.000 0.000 0.126 293 I C -0.175 175.830 176.117 -0.187 0.000 1.811 293 I CA 0.514 61.486 61.300 -0.547 0.000 2.115 293 I CB -1.457 36.044 38.000 -0.832 0.000 3.474 293 I HN 0.374 nan 8.210 nan 0.000 0.192 294 E N 0.890 121.052 120.200 -0.064 0.000 2.371 294 E HA 0.368 4.717 4.350 -0.000 0.000 0.257 294 E C 1.006 177.688 176.600 0.138 0.000 1.134 294 E CA 0.145 56.565 56.400 0.034 0.000 0.919 294 E CB 0.479 30.188 29.700 0.015 0.000 1.025 294 E HN 0.402 nan 8.360 nan 0.000 0.438 295 T N -1.974 112.629 114.554 0.081 0.000 2.698 295 T HA 0.199 4.548 4.350 -0.000 0.000 0.295 295 T C 1.422 176.158 174.700 0.061 0.000 1.007 295 T CA -0.341 61.784 62.100 0.041 0.000 0.980 295 T CB 0.840 69.662 68.868 -0.078 0.000 1.036 295 T HN 0.503 nan 8.240 nan 0.000 0.526 296 G N -0.266 108.589 108.800 0.091 0.000 2.479 296 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.220 296 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.220 296 G C 1.382 176.354 174.900 0.121 0.000 1.115 296 G CA 0.659 45.889 45.100 0.217 0.000 0.757 296 G HN 0.687 nan 8.290 nan 0.000 0.560 297 L N 0.420 121.643 121.223 -0.000 0.000 1.976 297 L HA -0.015 4.325 4.340 -0.000 0.000 0.209 297 L C 3.167 180.000 176.870 -0.062 0.000 1.071 297 L CA 1.466 56.274 54.840 -0.053 0.000 0.746 297 L CB -0.853 41.167 42.059 -0.063 0.000 0.890 297 L HN 0.316 nan 8.230 nan 0.000 0.432 298 G N -0.869 107.923 108.800 -0.015 0.000 2.403 298 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 298 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 298 G C 1.716 176.589 174.900 -0.045 0.000 1.154 298 G CA 0.445 45.559 45.100 0.025 0.000 0.784 298 G HN 0.197 nan 8.290 nan 0.000 0.538 299 R N 0.484 120.911 120.500 -0.121 0.000 2.094 299 R HA -0.120 4.219 4.340 -0.000 0.000 0.239 299 R C 2.902 178.914 176.300 -0.480 0.000 1.137 299 R CA 1.765 57.663 56.100 -0.337 0.000 0.943 299 R CB -0.417 29.583 30.300 -0.499 0.000 0.850 299 R HN 0.293 nan 8.270 nan 0.000 0.433 300 A N 0.476 123.105 122.820 -0.319 0.000 1.873 300 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 300 A C 2.375 179.854 177.584 -0.175 0.000 1.193 300 A CA 2.102 54.082 52.037 -0.094 0.000 0.629 300 A CB -1.102 17.930 19.000 0.054 0.000 0.826 300 A HN 0.565 nan 8.150 nan 0.000 0.447 301 A N -0.341 122.311 122.820 -0.280 0.000 1.972 301 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 301 A C 1.898 179.463 177.584 -0.032 0.000 1.169 301 A CA 1.895 53.717 52.037 -0.357 0.000 0.635 301 A CB -0.612 17.913 19.000 -0.791 0.000 0.810 301 A HN 0.560 nan 8.150 nan 0.000 0.446 302 N N -0.058 118.667 118.700 0.043 0.000 2.216 302 N HA -0.077 4.662 4.740 -0.000 0.000 0.183 302 N C 1.616 177.093 175.510 -0.055 0.000 1.017 302 N CA 1.357 54.459 53.050 0.088 0.000 0.861 302 N CB -0.470 38.033 38.487 0.027 0.000 0.986 302 N HN 0.243 nan 8.380 nan 0.000 0.428 303 V N 1.436 121.279 119.914 -0.118 0.000 2.343 303 V HA -0.192 3.927 4.120 -0.000 0.000 0.247 303 V C 2.360 178.410 176.094 -0.073 0.000 1.051 303 V CA 1.749 63.985 62.300 -0.106 0.000 1.036 303 V CB -0.968 30.792 31.823 -0.105 0.000 0.654 303 V HN 0.281 nan 8.190 nan 0.000 0.451 304 A N -0.062 122.736 122.820 -0.038 0.000 1.873 304 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 304 A C 2.192 179.730 177.584 -0.078 0.000 1.193 304 A CA 2.372 54.403 52.037 -0.010 0.000 0.629 304 A CB -0.727 18.312 19.000 0.066 0.000 0.826 304 A HN 0.450 nan 8.150 nan 0.000 0.447 305 L N -0.199 120.974 121.223 -0.084 0.000 2.012 305 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 305 L C 2.649 179.048 176.870 -0.785 0.000 1.073 305 L CA 2.317 57.010 54.840 -0.245 0.000 0.748 305 L CB -0.736 41.295 42.059 -0.047 0.000 0.891 305 L HN 0.358 nan 8.230 nan 0.000 0.431 306 A N -1.212 121.184 122.820 -0.707 0.000 2.186 306 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 306 A C 2.265 179.587 177.584 -0.437 0.000 1.159 306 A CA 1.506 53.047 52.037 -0.826 0.000 0.680 306 A CB -0.993 17.834 19.000 -0.289 0.000 0.787 306 A HN 0.670 nan 8.150 nan 0.000 0.467 307 S N -1.259 114.279 115.700 -0.270 0.000 2.631 307 S HA 0.316 4.786 4.470 -0.000 0.000 0.217 307 S C 0.312 174.899 174.600 -0.022 0.000 0.958 307 S CA -0.407 57.747 58.200 -0.076 0.000 0.920 307 S CB -0.538 62.645 63.200 -0.028 0.000 0.776 307 S HN 0.155 nan 8.310 nan 0.000 0.517 308 L N 2.263 123.439 121.223 -0.078 0.000 2.464 308 L HA 0.364 4.704 4.340 -0.000 0.000 0.264 308 L C -1.233 175.818 176.870 0.302 0.000 1.199 308 L CA -1.795 53.062 54.840 0.028 0.000 0.818 308 L CB 0.081 41.971 42.059 -0.282 0.000 1.102 308 L HN -0.034 nan 8.230 nan 0.000 0.473 309 P HA -0.163 nan 4.420 nan 0.000 0.216 309 P C 0.830 178.368 177.300 0.396 0.000 1.150 309 P CA 1.336 64.631 63.100 0.325 0.000 0.843 309 P CB 0.230 32.086 31.700 0.261 0.000 0.787 310 N N -1.703 117.412 118.700 0.693 0.000 2.336 310 N HA 0.016 4.756 4.740 -0.000 0.000 0.189 310 N C -0.221 175.344 175.510 0.093 0.000 1.113 310 N CA -0.154 52.994 53.050 0.163 0.000 0.858 310 N CB -0.637 37.596 38.487 -0.422 0.000 0.970 310 N HN -0.096 nan 8.380 nan 0.000 0.471 311 F N 0.875 120.994 119.950 0.282 0.000 2.679 311 F HA 0.094 4.621 4.527 -0.000 0.000 0.351 311 F C 1.600 177.497 175.800 0.162 0.000 1.279 311 F CA 0.039 58.168 58.000 0.215 0.000 1.227 311 F CB -0.299 38.809 39.000 0.180 0.000 1.623 311 F HN 0.050 nan 8.300 nan 0.000 0.666 312 T N -1.107 113.562 114.554 0.192 0.000 3.129 312 T HA 0.304 4.653 4.350 -0.000 0.000 0.251 312 T C 0.273 175.049 174.700 0.128 0.000 1.117 312 T CA 0.254 62.441 62.100 0.145 0.000 1.034 312 T CB -0.185 68.736 68.868 0.089 0.000 0.968 312 T HN 0.136 nan 8.240 nan 0.000 0.526 313 L N 1.122 122.446 121.223 0.168 0.000 2.371 313 L HA 0.588 4.928 4.340 -0.000 0.000 0.262 313 L C -2.588 174.346 176.870 0.108 0.000 1.006 313 L CA -2.590 52.298 54.840 0.081 0.000 0.818 313 L CB 1.847 43.903 42.059 -0.006 0.000 1.354 313 L HN -0.219 nan 8.230 nan 0.000 0.415 314 P HA 0.180 nan 4.420 nan 0.000 0.266 314 P C -0.285 177.027 177.300 0.020 0.000 1.195 314 P CA -0.091 63.003 63.100 -0.010 0.000 0.768 314 P CB 0.592 32.248 31.700 -0.073 0.000 0.838 315 G N 1.066 109.959 108.800 0.156 0.000 2.601 315 G HA2 0.259 4.219 3.960 -0.000 0.000 0.317 315 G HA3 0.259 4.219 3.960 -0.000 0.000 0.317 315 G C -0.595 174.422 174.900 0.195 0.000 1.246 315 G CA -0.541 44.776 45.100 0.363 0.000 1.012 315 G HN 0.305 nan 8.290 nan 0.000 0.494 316 D N 1.090 121.694 120.400 0.339 0.000 2.885 316 D HA 0.165 4.805 4.640 -0.000 0.000 0.234 316 D C 0.717 177.071 176.300 0.089 0.000 1.129 316 D CA 0.277 54.382 54.000 0.174 0.000 0.991 316 D CB -0.184 40.777 40.800 0.268 0.000 1.137 316 D HN 0.325 nan 8.370 nan 0.000 0.459 317 T N -2.036 112.548 114.554 0.051 0.000 3.378 317 T HA 0.368 4.717 4.350 -0.000 0.000 0.359 317 T C 0.578 175.294 174.700 0.026 0.000 1.815 317 T CA -0.753 61.350 62.100 0.005 0.000 1.509 317 T CB 0.348 69.204 68.868 -0.019 0.000 1.049 317 T HN -0.208 nan 8.240 nan 0.000 0.705 318 S N 1.785 117.489 115.700 0.007 0.000 2.634 318 S HA 0.685 5.155 4.470 -0.000 0.000 0.261 318 S C 0.988 175.693 174.600 0.175 0.000 1.271 318 S CA -0.757 57.487 58.200 0.074 0.000 0.985 318 S CB 0.511 63.543 63.200 -0.280 0.000 0.968 318 S HN 0.973 nan 8.310 nan 0.000 0.568 319 A N 0.971 123.984 122.820 0.321 0.000 2.366 319 A HA 0.383 4.703 4.320 -0.000 0.000 0.249 319 A C 1.483 179.199 177.584 0.220 0.000 1.084 319 A CA -0.365 51.828 52.037 0.261 0.000 0.794 319 A CB -0.249 18.889 19.000 0.230 0.000 1.034 319 A HN 0.731 nan 8.150 nan 0.000 0.491 320 S N 0.536 116.399 115.700 0.271 0.000 2.390 320 S HA -0.287 4.182 4.470 -0.000 0.000 0.234 320 S C 1.505 176.236 174.600 0.219 0.000 1.063 320 S CA 2.433 60.799 58.200 0.277 0.000 1.108 320 S CB -0.639 62.734 63.200 0.288 0.000 0.975 320 S HN 1.013 nan 8.310 nan 0.000 0.442 321 D N 0.867 121.368 120.400 0.168 0.000 2.384 321 D HA -0.130 4.510 4.640 -0.000 0.000 0.222 321 D C 1.635 177.960 176.300 0.043 0.000 0.976 321 D CA 0.442 54.513 54.000 0.118 0.000 0.915 321 D CB -0.260 40.600 40.800 0.101 0.000 0.896 321 D HN 0.179 nan 8.370 nan 0.000 0.523 322 R N -0.414 120.080 120.500 -0.011 0.000 2.148 322 R HA -0.075 4.264 4.340 -0.000 0.000 0.227 322 R C 0.639 176.592 176.300 -0.579 0.000 1.103 322 R CA 0.981 56.943 56.100 -0.229 0.000 0.983 322 R CB -0.259 29.805 30.300 -0.392 0.000 0.874 322 R HN 0.387 nan 8.270 nan 0.000 0.451 323 F N -2.168 117.656 119.950 -0.211 0.000 2.531 323 F HA 0.224 4.751 4.527 -0.000 0.000 0.273 323 F C 0.179 175.743 175.800 -0.393 0.000 0.960 323 F CA -0.366 57.369 58.000 -0.441 0.000 1.207 323 F CB 0.379 38.839 39.000 -0.899 0.000 1.012 323 F HN -0.214 nan 8.300 nan 0.000 0.738 324 Y N 1.129 121.555 120.300 0.211 0.000 2.331 324 Y HA 0.259 4.809 4.550 -0.000 0.000 0.338 324 Y C 1.135 177.087 175.900 0.087 0.000 0.992 324 Y CA -0.891 57.287 58.100 0.130 0.000 1.121 324 Y CB 1.599 40.125 38.460 0.110 0.000 1.184 324 Y HN -0.159 nan 8.280 nan 0.000 0.469 325 K N 1.219 121.759 120.400 0.233 0.000 2.026 325 K HA -0.049 4.271 4.320 -0.000 0.000 0.208 325 K C -0.232 176.445 176.600 0.128 0.000 1.048 325 K CA 1.316 57.686 56.287 0.139 0.000 0.929 325 K CB 0.097 32.659 32.500 0.102 0.000 0.713 325 K HN 0.630 nan 8.250 nan 0.000 0.439 326 T N 1.304 115.934 114.554 0.127 0.000 2.847 326 T HA 0.142 4.492 4.350 -0.000 0.000 0.291 326 T C -1.161 173.549 174.700 0.016 0.000 0.998 326 T CA -0.877 61.260 62.100 0.062 0.000 0.967 326 T CB 1.711 70.591 68.868 0.020 0.000 0.954 326 T HN 0.083 nan 8.240 nan 0.000 0.441 327 D N 1.589 122.003 120.400 0.023 0.000 2.294 327 D HA 0.267 4.907 4.640 -0.000 0.000 0.250 327 D C 1.367 177.620 176.300 -0.079 0.000 1.058 327 D CA -0.903 53.082 54.000 -0.026 0.000 0.950 327 D CB 1.180 42.026 40.800 0.076 0.000 1.158 327 D HN 0.579 nan 8.370 nan 0.000 0.453 328 I N -0.823 119.669 120.570 -0.129 0.000 3.428 328 I HA 0.096 4.266 4.170 -0.000 0.000 0.286 328 I C 0.902 176.928 176.117 -0.152 0.000 1.287 328 I CA 0.103 61.312 61.300 -0.153 0.000 1.396 328 I CB -0.164 37.715 38.000 -0.201 0.000 1.062 328 I HN 0.207 nan 8.210 nan 0.000 0.471 329 T N -1.994 112.494 114.554 -0.109 0.000 2.883 329 T HA 0.455 4.805 4.350 -0.000 0.000 0.284 329 T C -0.242 174.403 174.700 -0.091 0.000 1.041 329 T CA -0.705 61.327 62.100 -0.113 0.000 1.007 329 T CB 1.719 70.531 68.868 -0.093 0.000 1.220 329 T HN 0.049 nan 8.240 nan 0.000 0.552 330 E N 2.217 122.343 120.200 -0.123 0.000 2.452 330 E HA 0.300 4.650 4.350 -0.000 0.000 0.261 330 E C -2.226 174.271 176.600 -0.173 0.000 0.987 330 E CA -1.200 55.115 56.400 -0.142 0.000 0.926 330 E CB 0.112 29.704 29.700 -0.179 0.000 0.934 330 E HN 0.382 nan 8.360 nan 0.000 0.452 331 P HA 0.030 nan 4.420 nan 0.000 0.271 331 P C -0.786 176.401 177.300 -0.188 0.000 1.233 331 P CA 0.196 63.271 63.100 -0.042 0.000 0.789 331 P CB 0.352 32.068 31.700 0.026 0.000 0.951 332 F N -0.103 119.869 119.950 0.036 0.000 2.404 332 F HA 0.310 4.837 4.527 -0.000 0.000 0.354 332 F C 0.040 175.865 175.800 0.041 0.000 1.122 332 F CA -0.290 57.731 58.000 0.036 0.000 1.080 332 F CB 1.031 40.061 39.000 0.050 0.000 1.131 332 F HN -0.103 nan 8.300 nan 0.000 0.471 333 V N 5.080 125.069 119.914 0.125 0.000 2.495 333 V HA 0.298 4.418 4.120 -0.000 0.000 0.298 333 V C -0.376 175.766 176.094 0.081 0.000 1.031 333 V CA -1.028 61.323 62.300 0.085 0.000 0.871 333 V CB 1.743 33.579 31.823 0.021 0.000 0.988 333 V HN 0.464 nan 8.190 nan 0.000 0.432 334 L N 4.011 125.259 121.223 0.043 0.000 2.500 334 L HA 0.321 4.661 4.340 -0.000 0.000 0.272 334 L C 0.630 177.488 176.870 -0.019 0.000 1.149 334 L CA 1.053 55.886 54.840 -0.012 0.000 0.897 334 L CB 1.019 42.969 42.059 -0.182 0.000 1.178 334 L HN 0.794 nan 8.230 nan 0.000 0.473 335 S N 4.107 119.818 115.700 0.018 0.000 2.622 335 S HA 0.570 5.040 4.470 -0.000 0.000 0.283 335 S C 0.547 175.147 174.600 0.000 0.000 1.197 335 S CA -0.007 58.194 58.200 0.002 0.000 1.146 335 S CB -0.008 63.196 63.200 0.006 0.000 1.007 335 S HN 1.200 nan 8.310 nan 0.000 0.478 336 G N 2.768 111.556 108.800 -0.020 0.000 2.225 336 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.264 336 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.264 336 G C 1.118 176.067 174.900 0.082 0.000 1.060 336 G CA 0.358 45.446 45.100 -0.020 0.000 0.833 336 G HN 2.112 nan 8.290 nan 0.000 0.498 337 G N -1.707 107.138 108.800 0.076 0.000 2.155 337 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.257 337 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.257 337 G C 0.205 175.268 174.900 0.271 0.000 0.983 337 G CA 1.236 46.412 45.100 0.127 0.000 0.676 337 G HN 1.376 nan 8.290 nan 0.000 0.528 338 H N -1.874 117.194 119.070 -0.005 0.000 2.855 338 H HA 0.713 5.269 4.556 -0.000 0.000 0.363 338 H C -1.020 174.338 175.328 0.050 0.000 1.185 338 H CA -1.054 55.013 56.048 0.032 0.000 1.174 338 H CB 1.967 31.749 29.762 0.033 0.000 1.857 338 H HN 0.070 nan 8.280 nan 0.000 0.565 339 L N 2.270 123.616 121.223 0.205 0.000 2.381 339 L HA 0.354 4.694 4.340 -0.000 0.000 0.268 339 L C -2.479 174.504 176.870 0.188 0.000 0.997 339 L CA -2.045 52.912 54.840 0.195 0.000 0.818 339 L CB 1.912 44.085 42.059 0.190 0.000 1.310 339 L HN 0.407 nan 8.230 nan 0.000 0.416 340 P HA 0.225 nan 4.420 nan 0.000 0.285 340 P C -0.733 176.664 177.300 0.162 0.000 1.259 340 P CA -0.365 62.818 63.100 0.139 0.000 0.794 340 P CB 1.098 32.849 31.700 0.085 0.000 0.940 341 V N 6.264 126.247 119.914 0.114 0.000 2.508 341 V HA 0.125 4.245 4.120 -0.000 0.000 0.281 341 V C -1.663 174.485 176.094 0.090 0.000 1.041 341 V CA -1.175 61.185 62.300 0.101 0.000 1.016 341 V CB -0.133 31.729 31.823 0.066 0.000 0.984 341 V HN 0.563 nan 8.190 nan 0.000 0.478 342 P HA 0.133 nan 4.420 nan 0.000 0.268 342 P C 0.735 178.061 177.300 0.043 0.000 1.208 342 P CA 0.056 63.195 63.100 0.065 0.000 0.777 342 P CB 0.449 32.191 31.700 0.070 0.000 0.875 343 T N -2.212 112.356 114.554 0.023 0.000 2.969 343 T HA 0.239 4.589 4.350 -0.000 0.000 0.250 343 T C 1.105 175.821 174.700 0.026 0.000 1.021 343 T CA 0.154 62.269 62.100 0.025 0.000 1.003 343 T CB -0.436 68.441 68.868 0.015 0.000 1.040 343 T HN 0.471 nan 8.240 nan 0.000 0.492 344 G N 3.094 111.904 108.800 0.017 0.000 2.683 344 G HA2 0.482 4.442 3.960 -0.000 0.000 0.260 344 G HA3 0.482 4.442 3.960 -0.000 0.000 0.260 344 G C -2.592 172.335 174.900 0.045 0.000 1.238 344 G CA -1.122 43.992 45.100 0.023 0.000 0.934 344 G HN 0.168 nan 8.290 nan 0.000 0.534 345 P HA 0.285 nan 4.420 nan 0.000 0.272 345 P C 1.018 178.378 177.300 0.101 0.000 1.230 345 P CA 0.916 64.066 63.100 0.084 0.000 0.788 345 P CB 0.537 32.284 31.700 0.079 0.000 0.949 346 G N 0.766 109.669 108.800 0.171 0.000 2.582 346 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.288 346 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.288 346 G C 0.942 175.898 174.900 0.093 0.000 1.247 346 G CA 0.412 45.660 45.100 0.246 0.000 0.972 346 G HN 0.470 nan 8.290 nan 0.000 0.557 347 L N 1.627 122.722 121.223 -0.213 0.000 2.191 347 L HA 0.205 4.545 4.340 -0.000 0.000 0.212 347 L C 2.718 179.486 176.870 -0.170 0.000 1.103 347 L CA 1.611 56.174 54.840 -0.462 0.000 0.769 347 L CB -0.700 41.078 42.059 -0.468 0.000 0.908 347 L HN 2.122 nan 8.230 nan 0.000 0.438 348 G N -0.522 108.239 108.800 -0.064 0.000 2.159 348 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.256 348 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.256 348 G C 0.053 174.925 174.900 -0.045 0.000 0.977 348 G CA 0.170 45.253 45.100 -0.028 0.000 0.652 348 G HN 0.174 nan 8.290 nan 0.000 0.531 349 V N -0.584 119.293 119.914 -0.062 0.000 3.114 349 V HA 0.963 5.083 4.120 -0.000 0.000 0.308 349 V C -0.143 175.893 176.094 -0.097 0.000 1.168 349 V CA -0.050 62.204 62.300 -0.077 0.000 1.015 349 V CB 2.147 33.944 31.823 -0.044 0.000 1.050 349 V HN 1.724 nan 8.190 nan 0.000 0.433 350 A N 3.451 126.187 122.820 -0.139 0.000 2.589 350 A HA 0.933 5.252 4.320 -0.000 0.000 0.296 350 A C -3.239 174.170 177.584 -0.291 0.000 1.062 350 A CA -1.359 50.543 52.037 -0.224 0.000 0.686 350 A CB 2.124 21.067 19.000 -0.094 0.000 1.282 350 A HN 0.539 nan 8.150 nan 0.000 0.404 351 P HA 0.357 nan 4.420 nan 0.000 0.271 351 P C -0.647 176.511 177.300 -0.237 0.000 1.218 351 P CA 0.162 63.012 63.100 -0.417 0.000 0.780 351 P CB 0.364 31.669 31.700 -0.657 0.000 0.901 352 I N 4.890 125.355 120.570 -0.174 0.000 2.276 352 I HA 0.135 4.304 4.170 -0.000 0.000 0.290 352 I C -1.217 174.845 176.117 -0.093 0.000 1.109 352 I CA -2.060 59.175 61.300 -0.108 0.000 1.229 352 I CB 0.939 38.884 38.000 -0.091 0.000 1.452 352 I HN 0.282 nan 8.210 nan 0.000 0.497 353 P HA -0.306 nan 4.420 nan 0.000 0.224 353 P C 1.136 178.416 177.300 -0.033 0.000 1.153 353 P CA 1.759 64.838 63.100 -0.035 0.000 0.947 353 P CB 0.151 31.849 31.700 -0.003 0.000 0.790 354 E N -0.337 119.845 120.200 -0.030 0.000 2.068 354 E HA -0.216 4.133 4.350 -0.000 0.000 0.207 354 E C 2.177 178.757 176.600 -0.034 0.000 1.032 354 E CA 1.520 57.904 56.400 -0.026 0.000 0.839 354 E CB -1.182 28.503 29.700 -0.025 0.000 0.758 354 E HN 0.248 nan 8.360 nan 0.000 0.457 355 L N 0.378 121.571 121.223 -0.050 0.000 2.056 355 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 355 L C 2.657 179.484 176.870 -0.070 0.000 1.078 355 L CA 0.787 55.592 54.840 -0.060 0.000 0.749 355 L CB -0.531 41.482 42.059 -0.076 0.000 0.901 355 L HN 0.209 nan 8.230 nan 0.000 0.433 356 L N 0.072 121.244 121.223 -0.085 0.000 1.970 356 L HA -0.272 4.067 4.340 -0.000 0.000 0.212 356 L C 2.348 179.194 176.870 -0.040 0.000 1.071 356 L CA 1.710 56.498 54.840 -0.087 0.000 0.751 356 L CB -0.418 41.574 42.059 -0.112 0.000 0.889 356 L HN 0.331 nan 8.230 nan 0.000 0.432 357 D N -0.112 120.277 120.400 -0.019 0.000 2.190 357 D HA -0.246 4.394 4.640 -0.000 0.000 0.200 357 D C 2.012 178.309 176.300 -0.004 0.000 0.992 357 D CA 1.307 55.308 54.000 0.001 0.000 0.854 357 D CB -0.078 40.727 40.800 0.007 0.000 0.936 357 D HN 0.500 nan 8.370 nan 0.000 0.462 358 E N -0.237 119.953 120.200 -0.016 0.000 2.204 358 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 358 E C 1.836 178.427 176.600 -0.015 0.000 0.990 358 E CA 0.766 57.158 56.400 -0.015 0.000 0.821 358 E CB 0.335 30.023 29.700 -0.021 0.000 0.750 358 E HN 0.274 nan 8.360 nan 0.000 0.477 359 V N -2.704 117.194 119.914 -0.025 0.000 3.477 359 V HA 0.162 4.282 4.120 -0.000 0.000 0.297 359 V C 0.598 176.686 176.094 -0.010 0.000 1.433 359 V CA -0.399 61.885 62.300 -0.026 0.000 1.052 359 V CB 0.574 32.361 31.823 -0.061 0.000 0.895 359 V HN -0.121 nan 8.190 nan 0.000 0.438 360 T N 2.734 117.290 114.554 0.002 0.000 2.851 360 T HA 0.336 4.685 4.350 -0.000 0.000 0.298 360 T C 1.393 176.109 174.700 0.026 0.000 0.977 360 T CA 0.950 63.064 62.100 0.022 0.000 1.126 360 T CB 1.378 70.268 68.868 0.037 0.000 0.916 360 T HN 0.735 nan 8.240 nan 0.000 0.529 361 T N -0.438 114.135 114.554 0.032 0.000 3.000 361 T HA 0.589 4.939 4.350 -0.000 0.000 0.248 361 T C 0.518 175.241 174.700 0.037 0.000 1.034 361 T CA 0.120 62.239 62.100 0.033 0.000 1.060 361 T CB 0.398 69.286 68.868 0.034 0.000 0.983 361 T HN 0.741 nan 8.240 nan 0.000 0.482 362 A N 0.151 122.997 122.820 0.043 0.000 2.606 362 A HA 0.788 5.108 4.320 -0.000 0.000 0.293 362 A C -1.429 176.188 177.584 0.054 0.000 1.082 362 A CA -0.877 51.187 52.037 0.046 0.000 0.685 362 A CB 1.736 20.763 19.000 0.045 0.000 1.284 362 A HN 0.180 nan 8.150 nan 0.000 0.408 363 K N 0.218 120.651 120.400 0.055 0.000 2.557 363 K HA 0.626 4.946 4.320 -0.000 0.000 0.261 363 K C -2.329 174.311 176.600 0.067 0.000 0.932 363 K CA -0.432 55.896 56.287 0.068 0.000 0.829 363 K CB 2.524 35.069 32.500 0.075 0.000 1.358 363 K HN 1.035 nan 8.250 nan 0.000 0.430 364 V N 3.689 123.647 119.914 0.074 0.000 2.969 364 V HA 0.531 4.651 4.120 -0.000 0.000 0.304 364 V C -1.809 174.357 176.094 0.121 0.000 1.192 364 V CA -0.677 61.669 62.300 0.077 0.000 0.962 364 V CB 1.887 33.722 31.823 0.019 0.000 1.045 364 V HN 0.835 nan 8.190 nan 0.000 0.428 365 W N 7.478 128.746 121.300 -0.053 0.000 2.469 365 W HA 0.743 5.402 4.660 -0.000 0.000 0.320 365 W C -1.863 174.608 176.519 -0.079 0.000 1.086 365 W CA -0.856 56.450 57.345 -0.065 0.000 1.211 365 W CB 1.742 31.171 29.460 -0.053 0.000 1.298 365 W HN 0.521 nan 8.180 nan 0.000 0.525 366 I N 6.302 126.225 120.570 -1.078 0.000 2.448 366 I HA 0.508 4.677 4.170 -0.000 0.000 0.281 366 I C 0.419 175.795 176.117 -1.235 0.000 1.027 366 I CA -0.117 60.639 61.300 -0.907 0.000 1.111 366 I CB 1.398 39.067 38.000 -0.551 0.000 1.236 366 I HN 0.461 nan 8.210 nan 0.000 0.452 367 G N 0.000 108.324 108.800 -0.794 0.000 5.446 367 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 367 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 367 G CA 0.000 44.892 45.100 -0.346 0.000 0.502 367 G HN 0.000 nan 8.290 nan 0.000 0.925